#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i50 n GLU 19 N 0.00 -2.22 -1.29 3.97 1.02 -1.26 -4.86 120.64 116.01 1i50 n GLU 19 Ca 0.00 0.28 -0.57 0.00 -0.02 0.00 0.00 57.16 56.84 1i50 n GLU 19 Cb 0.00 -3.61 -0.12 0.00 -0.02 0.00 0.00 31.44 27.70 1i50 n GLU 19 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1i50 n ASP 20 N -1.55 0.87 0.00 1.62 9.92 -1.26 -4.74 116.55 121.41 1i50 n ASP 20 Ca -0.09 0.61 0.00 0.00 -0.53 0.00 0.00 54.79 54.78 1i50 n ASP 20 Cb 0.55 -0.94 0.00 0.00 -0.64 0.00 0.00 41.12 40.09 1i50 n ASP 20 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1i50 n GLU 21 N 7.66 0.00 -0.03 -1.24 0.28 -1.26 -0.51 120.64 125.54 1i50 n GLU 21 Ca 0.54 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 57.56 1i50 n GLU 21 Cb -0.00 -1.25 0.03 0.00 1.43 0.00 0.00 31.44 31.65 1i50 n GLU 21 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1i50 n SER 22 N -0.75 1.93 -4.76 -1.84 7.64 -1.26 -2.20 113.62 112.38 1i50 n SER 22 Ca 0.00 -1.71 -0.41 0.00 1.01 0.00 0.00 58.87 57.76 1i50 n SER 22 Cb 0.00 -0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 63.12 1i50 n SER 22 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i50 s ALA 23 N -0.76 3.46 0.77 -0.43 0.00 0.34 -4.81 121.76 120.34 1i50 s ALA 23 Ca 0.06 1.07 -0.15 0.00 0.00 0.00 0.00 51.96 52.93 1i50 s ALA 23 Cb 0.03 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 1i50 s ALA 23 CO 0.04 -0.41 0.53 -2.30 0.00 0.00 0.00 175.76 173.62 1i50 n PRO 24 N 1.42 0.20 -3.20 0.00 -0.02 -1.26 -0.99 135.00 131.13 1i50 n PRO 24 Ca 0.01 0.11 -0.31 0.00 -2.02 0.00 0.00 63.50 61.29 1i50 n PRO 24 Cb 0.43 -1.86 -0.04 0.00 -0.02 0.00 0.00 33.50 32.01 1i50 n PRO 24 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1i50 s ILE 25 N -2.00 4.87 0.32 4.25 1.01 -1.26 -4.44 121.20 123.95 1i50 s ILE 25 Ca 0.64 0.50 0.09 0.00 0.00 0.00 0.00 60.65 61.88 1i50 s ILE 25 Cb -0.32 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 1i50 s ILE 25 CO 0.59 -0.26 0.08 0.42 0.00 0.00 0.00 174.94 175.77 1i50 s THR 26 N -2.05 3.04 0.49 2.92 -4.23 -1.26 -4.84 115.64 109.71 1i50 s THR 26 Ca 0.49 -1.81 0.30 0.00 -1.18 0.00 0.00 61.69 59.49 1i50 s THR 26 Cb -0.11 -2.91 0.49 0.00 1.34 0.00 0.00 72.50 71.31 1i50 s THR 26 CO 0.25 -0.23 1.81 0.00 -0.54 0.00 0.00 174.62 175.91 1i50 h ALA 27 N 1.68 2.77 0.00 3.99 0.00 -1.98 0.30 119.26 126.02 1i50 h ALA 27 Ca -0.44 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.35 1i50 h ALA 27 Cb 1.25 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1i50 h ALA 27 CO 0.63 -1.11 -0.58 1.49 0.00 0.00 0.00 179.25 179.69 1i50 h GLU 28 N 0.13 0.00 0.00 0.00 4.57 -1.99 -2.98 114.58 114.32 1i50 h GLU 28 Ca 0.54 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.72 1i50 h GLU 28 Cb 1.89 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.48 1i50 h GLU 28 CO -0.10 0.58 0.00 -0.25 -1.18 0.00 0.00 179.01 178.05 1i50 n ASP 29 N -3.67 0.27 -0.16 1.04 8.00 0.11 -3.20 116.55 118.93 1i50 n ASP 29 Ca -0.01 0.57 -0.08 0.00 0.71 0.00 0.00 54.79 55.99 1i50 n ASP 29 Cb 0.62 -0.63 0.01 0.00 -0.02 0.00 0.00 41.12 41.10 1i50 n ASP 29 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1i50 h SER 30 N 0.00 0.58 0.06 -2.24 0.02 -1.55 -2.49 113.55 107.93 1i50 h SER 30 Ca 0.00 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1i50 h SER 30 Cb 0.25 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 1i50 h SER 30 CO 0.00 0.46 -0.01 -0.50 -1.14 0.00 0.00 176.83 175.64 1i50 h TRP 31 N 0.64 0.00 -0.37 3.45 4.06 -1.78 0.55 115.95 122.50 1i50 h TRP 31 Ca 0.17 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 61.00 1i50 h TRP 31 Cb -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 1i50 h TRP 31 CO -0.03 0.01 -0.24 0.00 -3.56 0.00 0.00 178.44 174.62 1i50 h ALA 32 N 1.99 0.53 0.00 1.49 0.00 -1.64 0.32 119.26 121.94 1i50 h ALA 32 Ca -0.00 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 1i50 h ALA 32 Cb 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1i50 h ALA 32 CO 0.00 0.52 -0.42 0.28 0.00 0.00 0.00 179.25 179.63 1i50 h VAL 33 N 0.61 1.12 0.19 0.00 2.07 -0.94 -2.43 116.25 116.88 1i50 h VAL 33 Ca 0.07 -1.53 -0.29 0.00 0.82 0.00 0.00 66.70 65.77 1i50 h VAL 33 Cb 0.81 1.87 0.03 0.00 -1.52 0.00 0.00 31.29 32.48 1i50 h VAL 33 CO 0.07 0.41 -1.24 0.40 0.02 0.00 0.00 177.57 177.22 1i50 h ILE 34 N 0.00 1.34 -0.54 4.57 2.04 -0.80 -2.57 117.51 121.56 1i50 h ILE 34 Ca -0.00 -2.59 -0.00 0.00 1.00 0.00 0.00 64.86 63.27 1i50 h ILE 34 Cb 0.84 3.00 -0.03 0.00 -0.74 0.00 0.00 36.82 39.89 1i50 h ILE 34 CO 0.05 0.77 0.33 0.28 0.00 0.00 0.00 178.15 179.58 1i50 h SER 35 N 0.04 0.64 -0.30 1.72 0.02 -0.31 -0.28 113.55 115.07 1i50 h SER 35 Ca -0.21 -0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.64 1i50 h SER 35 Cb 1.97 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 64.33 1i50 h SER 35 CO 0.23 0.49 -0.03 0.00 -1.14 0.00 0.00 176.83 176.38 1i50 h ALA 36 N 1.62 1.19 0.12 3.77 0.00 -1.43 -1.08 119.26 123.46 1i50 h ALA 36 Ca 0.19 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1i50 h ALA 36 Cb -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1i50 h ALA 36 CO -0.04 0.53 -0.06 0.35 0.00 0.00 0.00 179.25 180.03 1i50 h PHE 37 N 0.62 -0.15 0.00 0.00 3.57 -0.65 -3.09 116.94 117.25 1i50 h PHE 37 Ca 0.12 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1i50 h PHE 37 Cb 0.44 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.22 1i50 h PHE 37 CO 0.02 0.11 -0.06 0.74 -2.23 0.00 0.00 178.31 176.89 1i50 h PHE 38 N -0.40 0.00 -0.40 0.41 0.05 -1.28 -1.89 116.94 113.44 1i50 h PHE 38 Ca -0.02 0.00 -0.08 0.00 3.82 0.00 0.00 57.97 61.69 1i50 h PHE 38 Cb 0.32 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.25 1i50 h PHE 38 CO 0.00 0.06 -0.08 0.00 -0.18 0.00 0.00 178.31 178.11 1i50 h ARG 39 N 0.00 0.70 0.00 1.51 3.08 -1.12 -1.16 114.38 117.39 1i50 h ARG 39 Ca -0.00 -0.21 -0.26 0.00 0.07 0.00 0.00 59.98 59.58 1i50 h ARG 39 Cb 0.70 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.64 1i50 h ARG 39 CO 0.01 0.77 -1.59 1.49 -1.07 0.00 0.00 179.97 179.58 1i50 h GLU 40 N 0.64 0.00 0.00 0.04 4.81 -1.44 -3.41 114.58 115.21 1i50 h GLU 40 Ca 0.12 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.22 1i50 h GLU 40 Cb 0.52 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1i50 h GLU 40 CO 0.03 0.46 -1.64 1.63 -0.73 0.00 0.00 179.01 178.77 1i50 n LYS 41 N -3.02 1.67 0.00 1.92 5.02 -0.73 -5.10 118.16 117.92 1i50 n LYS 41 Ca -0.14 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 1i50 n LYS 41 Cb 0.99 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.74 1i50 n LYS 41 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i50 n GLY 42 N 2.21 0.37 0.00 0.72 0.00 -0.44 -3.90 105.19 104.15 1i50 n GLY 42 Ca -0.12 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1i50 n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i50 n LEU 43 N 0.00 0.00 -1.96 0.99 4.77 -1.26 -4.76 117.00 114.78 1i50 n LEU 43 Ca 0.00 -0.32 -0.07 0.00 -0.03 0.00 0.00 56.01 55.59 1i50 n LEU 43 Cb 0.00 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1i50 n LEU 43 CO 0.00 0.00 0.13 1.33 -1.33 0.00 0.00 177.39 177.52 1i50 n VAL 44 N -0.68 1.70 0.16 4.08 0.24 -1.26 -4.83 118.33 117.73 1i50 n VAL 44 Ca 0.00 -3.16 0.13 0.00 -2.04 0.00 0.00 64.34 59.27 1i50 n VAL 44 Cb 0.00 0.11 0.68 0.00 -1.47 0.00 0.00 33.84 33.16 1i50 n VAL 44 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1i50 h SER 45 N 1.94 0.00 -0.60 -1.34 4.64 -1.88 -0.48 113.55 115.83 1i50 h SER 45 Ca 0.06 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.47 1i50 h SER 45 Cb 1.42 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.43 1i50 h SER 45 CO 0.35 0.00 0.20 0.06 -0.87 0.00 0.00 176.83 176.57 1i50 h GLN 46 N 0.00 0.36 0.46 4.77 3.07 -1.91 0.25 115.11 122.11 1i50 h GLN 46 Ca 0.10 -0.02 -0.02 0.00 0.09 0.00 0.00 58.65 58.80 1i50 h GLN 46 Cb 0.42 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 27.91 1i50 h GLN 46 CO -0.00 0.24 -0.22 1.96 0.09 0.00 0.00 178.83 180.90 1i50 h GLN 47 N 0.37 -0.59 -0.10 0.06 1.08 -1.43 -2.68 115.11 111.81 1i50 h GLN 47 Ca 0.30 0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.58 1i50 h GLN 47 Cb 0.39 0.14 -0.06 0.00 -0.05 0.00 0.00 27.48 27.89 1i50 h GLN 47 CO -0.32 -0.40 -0.43 -0.07 -0.95 0.00 0.00 178.83 176.66 1i50 h LEU 48 N -1.00 -1.35 -0.73 1.46 3.38 -1.33 -1.31 115.31 114.44 1i50 h LEU 48 Ca -0.06 0.17 0.09 0.00 0.09 0.00 0.00 57.88 58.17 1i50 h LEU 48 Cb 0.47 0.54 -0.07 0.00 0.09 0.00 0.00 40.66 41.70 1i50 h LEU 48 CO 0.10 -0.44 0.38 0.44 0.09 0.00 0.00 178.44 179.02 1i50 h ASP 49 N -0.52 0.53 -0.15 -0.43 3.32 -0.64 0.15 116.42 118.68 1i50 h ASP 49 Ca 0.07 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1i50 h ASP 49 Cb 0.64 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 1i50 h ASP 49 CO -0.38 0.31 0.07 -1.28 -1.72 0.00 0.00 179.24 176.23 1i50 h SER 50 N 0.66 0.19 -0.44 6.45 0.87 -1.09 -1.05 113.55 119.13 1i50 h SER 50 Ca 0.35 -0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.73 1i50 h SER 50 Cb 0.33 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 1i50 h SER 50 CO -0.25 0.26 0.07 0.15 -0.53 0.00 0.00 176.83 176.54 1i50 h PHE 51 N 0.11 0.77 -0.90 2.24 3.57 -0.90 -2.98 116.94 118.85 1i50 h PHE 51 Ca 0.05 -0.11 0.01 0.00 3.53 0.00 0.00 57.97 61.45 1i50 h PHE 51 Cb 0.12 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.61 1i50 h PHE 51 CO -0.03 0.74 0.60 -0.91 -2.23 0.00 0.00 178.31 176.48 1i50 h ASN 52 N 0.59 1.04 -0.26 0.41 2.35 -0.54 -1.50 115.58 117.67 1i50 h ASN 52 Ca 0.13 -0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1i50 h ASN 52 Cb 0.38 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1i50 h ASN 52 CO 0.01 0.75 0.17 -0.61 -1.65 0.00 0.00 177.43 176.10 1i50 h GLN 53 N 1.23 0.32 0.00 0.81 5.75 -1.10 0.06 115.11 122.19 1i50 h GLN 53 Ca 0.33 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.81 1i50 h GLN 53 Cb -0.14 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.33 1i50 h GLN 53 CO -0.07 0.21 0.00 0.34 -2.65 0.00 0.00 178.83 176.66 1i50 n PHE 54 N -4.50 0.00 -0.34 3.99 7.35 -0.65 -1.45 117.46 121.86 1i50 n PHE 54 Ca 0.01 0.00 0.34 0.00 -0.76 0.00 0.00 57.45 57.04 1i50 n PHE 54 Cb 0.08 -0.39 0.72 0.00 0.35 0.00 0.00 39.48 40.23 1i50 n PHE 54 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1i50 h VAL 55 N 0.00 0.40 0.00 -2.13 2.07 -1.26 0.30 116.25 115.63 1i50 h VAL 55 Ca 0.00 -0.02 -0.08 0.00 0.82 0.00 0.00 66.70 67.42 1i50 h VAL 55 Cb 0.00 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1i50 h VAL 55 CO 0.00 0.01 -1.33 0.47 0.02 0.00 0.00 177.57 176.74 1i50 n ASP 56 N -4.25 0.73 0.14 0.57 8.00 0.00 -4.69 116.55 117.05 1i50 n ASP 56 Ca 0.26 0.30 0.00 0.00 0.71 0.00 0.00 54.79 56.06 1i50 n ASP 56 Cb 1.22 0.53 0.00 0.00 -0.02 0.00 0.00 41.12 42.85 1i50 n ASP 56 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1i50 n TYR 57 N -2.71 -2.51 -0.25 1.24 4.02 -0.53 -4.86 117.16 111.56 1i50 n TYR 57 Ca -0.05 0.44 0.27 0.00 -0.01 0.00 0.00 57.90 58.55 1i50 n TYR 57 Cb 0.69 0.59 0.64 0.00 -0.02 0.00 0.00 39.34 41.23 1i50 n TYR 57 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 1i50 h THR 58 N 0.00 0.54 0.51 -0.72 2.02 -0.84 -1.85 112.91 112.57 1i50 h THR 58 Ca 0.00 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 1i50 h THR 58 Cb 0.00 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1i50 h THR 58 CO 0.00 0.03 -0.24 0.25 0.37 0.00 0.00 175.52 175.93 1i50 h LEU 59 N 0.17 -0.58 -1.46 2.58 5.85 -1.23 -2.90 115.31 117.74 1i50 h LEU 59 Ca 0.50 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 59.18 1i50 h LEU 59 Cb 1.67 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.82 1i50 h LEU 59 CO -0.10 -0.27 0.38 -0.61 -0.34 0.00 0.00 178.44 177.50 1i50 h GLN 60 N -0.89 0.70 -0.08 1.25 5.75 -1.61 -2.39 115.11 117.83 1i50 h GLN 60 Ca -0.07 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.33 1i50 h GLN 60 Cb 0.60 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.98 1i50 h GLN 60 CO 0.11 0.46 -0.23 -0.44 -2.65 0.00 0.00 178.83 176.09 1i50 h ASP 61 N 0.72 0.14 0.95 -0.69 5.19 -1.35 -2.34 116.42 119.04 1i50 h ASP 61 Ca 0.22 -0.03 -0.10 0.00 -0.62 0.00 0.00 57.03 56.49 1i50 h ASP 61 Cb 0.01 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.47 1i50 h ASP 61 CO -0.05 0.37 -0.50 0.40 -3.12 0.00 0.00 179.24 176.34 1i50 h ILE 62 N 0.13 1.04 0.00 0.35 2.04 -1.22 -2.92 117.51 116.94 1i50 h ILE 62 Ca 0.02 -1.93 0.00 0.00 1.00 0.00 0.00 64.86 63.95 1i50 h ILE 62 Cb 0.48 2.15 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 1i50 h ILE 62 CO 0.03 0.49 0.00 0.00 0.00 0.00 0.00 178.15 178.67 1i50 n ILE 63 N -3.49 0.04 0.36 -0.67 0.13 -0.88 -3.02 119.36 111.83 1i50 n ILE 63 Ca 0.00 0.01 0.04 0.00 -1.10 0.00 0.00 62.75 61.70 1i50 n ILE 63 Cb 0.61 -0.56 -0.01 0.00 -0.84 0.00 0.00 39.64 38.84 1i50 n ILE 63 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1i50 s GLU 65 N -1.34 4.32 -1.29 0.00 -1.05 -1.17 -3.75 118.70 114.43 1i50 s GLU 65 Ca 0.06 0.40 0.00 0.00 -0.15 0.00 0.00 54.97 55.28 1i50 s GLU 65 Cb 0.06 -3.43 0.00 0.00 -0.44 0.00 0.00 34.13 30.32 1i50 s GLU 65 CO 0.24 0.18 0.00 -0.25 0.95 0.00 0.00 175.26 176.37 1i50 n ASP 66 N 3.63 -3.99 0.00 0.83 8.00 -1.26 -4.77 116.55 118.99 1i50 n ASP 66 Ca -0.08 0.23 0.06 0.00 0.71 0.00 0.00 54.79 55.71 1i50 n ASP 66 Cb 0.52 -3.50 0.35 0.00 -0.02 0.00 0.00 41.12 38.47 1i50 n ASP 66 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1i50 n SER 67 N -1.32 0.00 -4.21 -2.24 3.41 -1.25 -4.73 113.62 103.29 1i50 n SER 67 Ca -0.15 -1.20 -0.26 0.00 -0.26 0.00 0.00 58.87 57.00 1i50 n SER 67 Cb 0.55 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.35 1i50 n SER 67 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1i50 s THR 68 N -2.00 1.54 0.11 6.66 2.01 -1.26 -1.95 115.64 120.75 1i50 s THR 68 Ca 0.18 -0.94 0.10 0.00 0.31 0.00 0.00 61.69 61.34 1i50 s THR 68 Cb 0.08 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 1i50 s THR 68 CO 0.14 0.34 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.40 1i50 s LEU 69 N -0.70 2.38 -0.70 4.42 1.43 -1.14 -5.05 118.68 119.32 1i50 s LEU 69 Ca 0.07 -0.68 -0.17 0.00 -1.03 0.00 0.00 54.13 52.31 1i50 s LEU 69 Cb -0.08 -1.30 -0.14 0.00 0.03 0.00 0.00 46.19 44.70 1i50 s LEU 69 CO 0.00 0.19 1.90 -0.38 0.23 0.00 0.00 176.35 178.29 1i50 n ILE 70 N 1.02 1.73 0.00 -0.59 5.41 -1.26 -4.56 119.36 121.11 1i50 n ILE 70 Ca -0.17 -1.34 0.00 0.00 1.00 0.00 0.00 62.75 62.24 1i50 n ILE 70 Cb 0.53 -2.20 0.00 0.00 -0.71 0.00 0.00 39.64 37.25 1i50 n ILE 70 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1i50 n GLU 89 N 6.27 0.00 -2.13 0.38 1.02 0.42 -4.77 120.64 121.82 1i50 n GLU 89 Ca 0.45 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.59 1i50 n GLU 89 Cb 0.31 -0.79 -0.00 0.00 -0.02 0.00 0.00 31.44 30.94 1i50 n GLU 89 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1i50 n ILE 90 N -2.52-11.42 -4.70 -3.67 5.41 -1.26 -4.94 119.36 96.25 1i50 n ILE 90 Ca 0.00 2.59 -0.24 0.00 1.00 0.00 0.00 62.75 66.10 1i50 n ILE 90 Cb 0.43 -5.61 -0.15 0.00 -0.71 0.00 0.00 39.64 33.60 1i50 n ILE 90 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1i50 s SER 91 N -0.50 1.81 0.09 4.38 1.04 -1.18 -2.88 113.70 116.45 1i50 s SER 91 Ca -0.02 -0.28 -0.13 0.00 0.48 0.00 0.00 55.95 55.99 1i50 s SER 91 Cb 0.00 -0.31 -0.06 0.00 0.10 0.00 0.00 66.02 65.74 1i50 s SER 91 CO 0.06 0.16 0.47 -0.36 0.98 0.00 0.00 173.24 174.55 1i50 s PHE 92 N -0.19 3.64 0.00 5.02 0.40 -0.82 -1.50 117.98 124.54 1i50 s PHE 92 Ca 0.02 0.98 0.00 0.00 -0.60 0.00 0.00 56.93 57.33 1i50 s PHE 92 Cb -0.08 -2.29 0.00 0.00 0.51 0.00 0.00 43.02 41.16 1i50 s PHE 92 CO 0.00 0.52 0.00 0.41 0.70 0.00 0.00 175.22 176.85 1i50 n GLY 93 N 1.14 0.95 3.88 4.36 0.00 0.11 -4.83 105.19 110.80 1i50 n GLY 93 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 1i50 n GLY 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1i50 s LYS 94 N 2.20 3.69 0.04 1.61 2.20 -1.26 -4.74 119.74 123.48 1i50 s LYS 94 Ca 0.00 0.58 0.07 0.00 -0.36 0.00 0.00 55.97 56.26 1i50 s LYS 94 Cb 0.00 -2.24 -0.02 0.00 -1.51 0.00 0.00 37.83 34.06 1i50 s LYS 94 CO 0.00 -0.30 -0.21 0.42 -0.36 0.00 0.00 175.35 174.90 1i50 s ILE 95 N -2.78 1.71 0.06 5.43 1.01 -1.26 -0.58 121.20 124.79 1i50 s ILE 95 Ca 0.53 -1.20 0.07 0.00 0.00 0.00 0.00 60.65 60.05 1i50 s ILE 95 Cb -0.10 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.86 1i50 s ILE 95 CO 0.42 0.24 -0.19 -0.31 0.00 0.00 0.00 174.94 175.10 1i50 s TYR 96 N -0.78 1.63 -0.13 3.97 1.51 0.14 -5.00 117.35 118.69 1i50 s TYR 96 Ca 0.08 -0.38 0.01 0.00 -1.01 0.00 0.00 57.07 55.77 1i50 s TYR 96 Cb -0.09 -0.95 0.02 0.00 -0.11 0.00 0.00 41.96 40.83 1i50 s TYR 96 CO 0.02 0.10 -0.15 0.08 -1.11 0.00 0.00 175.55 174.49 1i50 s VAL 97 N -0.92 1.56 0.79 0.71 1.01 -1.26 -1.67 120.40 120.62 1i50 s VAL 97 Ca 0.05 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.26 1i50 s VAL 97 Cb -0.09 -1.43 0.07 0.00 0.00 0.00 0.00 36.38 34.93 1i50 s VAL 97 CO 0.02 0.45 1.12 -0.89 0.00 0.00 0.00 175.10 175.81 1i50 s THR 98 N 1.18 2.76 0.80 3.92 2.01 -0.29 -4.98 115.64 121.05 1i50 s THR 98 Ca -0.02 0.25 -0.12 0.00 0.31 0.00 0.00 61.69 62.11 1i50 s THR 98 Cb -0.14 -3.12 0.07 0.00 0.01 0.00 0.00 72.50 69.32 1i50 s THR 98 CO -0.05 -0.32 1.11 -0.54 -0.69 0.00 0.00 174.62 174.13 1i50 s LYS 99 N -5.33 2.04 0.33 4.92 -0.14 -1.26 -4.39 119.74 115.90 1i50 s LYS 99 Ca 0.61 0.48 -0.29 0.00 -1.36 0.00 0.00 55.97 55.41 1i50 s LYS 99 Cb -0.13 -1.93 -0.11 0.00 -1.68 0.00 0.00 37.83 33.99 1i50 s LYS 99 CO 0.52 -1.62 1.40 -2.14 -0.76 0.00 0.00 175.35 172.76 1i50 s PRO 100 N -5.27 4.25 0.15 -1.68 0.02 -1.26 -4.28 135.00 126.94 1i50 s PRO 100 Ca 0.61 2.36 -0.23 0.00 0.02 0.00 0.00 61.00 63.75 1i50 s PRO 100 Cb -0.13 -3.04 0.07 0.00 0.02 0.00 0.00 34.50 31.41 1i50 s PRO 100 CO 0.53 -0.36 0.62 0.00 -0.33 0.00 0.00 177.00 177.46 1i50 s MET 101 N -1.58 1.25 0.03 5.54 0.23 -0.97 -2.36 119.30 121.43 1i50 s MET 101 Ca 0.53 -0.46 -0.00 0.00 -1.03 0.00 0.00 55.69 54.72 1i50 s MET 101 Cb -0.43 0.57 -0.04 0.00 -1.53 0.00 0.00 34.83 33.41 1i50 s MET 101 CO 0.54 -0.55 0.14 0.08 -2.03 0.00 0.00 175.02 173.21 1i50 s VAL 102 N -3.71 5.06 -0.47 5.16 1.01 -0.48 -4.69 120.40 122.28 1i50 s VAL 102 Ca 0.01 -0.40 -0.19 0.00 0.00 0.00 0.00 61.98 61.40 1i50 s VAL 102 Cb -0.01 -3.39 0.04 0.00 0.00 0.00 0.00 36.38 33.02 1i50 s VAL 102 CO -0.13 0.24 0.60 0.21 0.00 0.00 0.00 175.10 176.03 1i50 s ASN 103 N -2.12 6.24 0.08 3.32 2.47 -1.26 -3.33 114.94 120.34 1i50 s ASN 103 Ca 0.28 -0.72 -0.07 0.00 0.42 0.00 0.00 52.86 52.78 1i50 s ASN 103 Cb -0.12 -2.29 -0.05 0.00 -1.45 0.00 0.00 41.25 37.34 1i50 s ASN 103 CO 0.20 -0.81 0.35 -1.61 -3.72 0.00 0.00 177.10 171.52 1i50 s GLU 104 N 2.60 3.66 -0.38 0.43 2.02 -1.26 -4.85 118.70 120.91 1i50 s GLU 104 Ca 0.17 0.01 -0.17 0.00 0.02 0.00 0.00 54.97 55.00 1i50 s GLU 104 Cb -0.17 -2.98 0.01 0.00 0.10 0.00 0.00 34.13 31.08 1i50 s GLU 104 CO 0.14 0.56 0.45 -1.54 0.02 0.00 0.00 175.26 174.89 1i50 s SER 105 N -1.95 6.23 -0.22 -0.19 1.04 -1.26 -4.20 113.70 113.15 1i50 s SER 105 Ca 0.34 -0.38 -0.01 0.00 0.48 0.00 0.00 55.95 56.38 1i50 s SER 105 Cb -0.13 -2.23 -0.01 0.00 0.10 0.00 0.00 66.02 63.75 1i50 s SER 105 CO 0.20 -0.50 0.19 0.47 0.98 0.00 0.00 173.24 174.57 1i50 n ASP 106 N 5.62 -2.40 0.00 7.02 10.43 -1.26 -4.87 116.55 131.10 1i50 n ASP 106 Ca -0.07 -0.13 0.00 0.00 2.57 0.00 0.00 54.79 57.16 1i50 n ASP 106 Cb 0.48 -1.41 0.00 0.00 1.84 0.00 0.00 41.12 42.04 1i50 n ASP 106 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1i50 n GLY 107 N -1.21 1.24 3.60 0.44 0.00 -1.26 -5.16 105.19 102.84 1i50 n GLY 107 Ca -0.04 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 1i50 n GLY 107 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1i50 n VAL 108 N -0.48 0.00 -2.85 1.61 0.31 -1.26 -4.56 118.33 111.10 1i50 n VAL 108 Ca 0.00 -0.09 -0.42 0.00 -0.01 0.00 0.00 64.34 63.81 1i50 n VAL 108 Cb 0.00 -0.94 -0.04 0.00 -0.91 0.00 0.00 33.84 31.95 1i50 n VAL 108 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1i50 s THR 109 N -2.57 4.69 0.31 2.52 2.01 -1.26 -4.36 115.64 116.99 1i50 s THR 109 Ca 0.66 1.33 -0.06 0.00 0.31 0.00 0.00 61.69 63.93 1i50 s THR 109 Cb -0.23 -4.24 -0.05 0.00 0.01 0.00 0.00 72.50 67.98 1i50 s THR 109 CO 0.60 -0.35 0.59 -2.28 -0.69 0.00 0.00 174.62 172.50 1i50 s HIS 110 N 3.20 3.47 0.11 4.92 5.04 -1.21 -4.92 115.29 125.91 1i50 s HIS 110 Ca 0.36 0.72 -0.30 0.00 -1.54 0.00 0.00 55.06 54.31 1i50 s HIS 110 Cb -0.13 -2.17 -0.06 0.00 0.04 0.00 0.00 32.58 30.26 1i50 s HIS 110 CO 0.14 0.12 0.97 0.00 -2.34 0.00 0.00 174.74 173.63 1i50 s ALA 111 N -2.13 3.25 -0.19 1.58 0.00 -1.26 -1.38 121.76 121.63 1i50 s ALA 111 Ca 0.45 0.59 -0.02 0.00 0.00 0.00 0.00 51.96 52.99 1i50 s ALA 111 Cb -0.11 -3.29 -0.00 0.00 0.00 0.00 0.00 23.12 19.73 1i50 s ALA 111 CO 0.30 -0.04 -0.11 -1.17 0.00 0.00 0.00 175.76 174.74 1i50 s LEU 112 N -0.01 2.62 0.11 0.00 2.96 -1.00 -4.81 118.68 118.56 1i50 s LEU 112 Ca 0.47 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 1i50 s LEU 112 Cb -0.24 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 1i50 s LEU 112 CO 0.30 0.02 0.26 -0.31 -1.32 0.00 0.00 176.35 175.31 1i50 s TYR 113 N 1.19 3.50 0.19 5.38 1.51 -1.26 -4.57 117.35 123.29 1i50 s TYR 113 Ca 0.02 0.21 -0.13 0.00 -1.01 0.00 0.00 57.07 56.16 1i50 s TYR 113 Cb -0.14 -1.73 0.22 0.00 -0.11 0.00 0.00 41.96 40.19 1i50 s TYR 113 CO -0.04 0.54 1.69 -1.00 -1.11 0.00 0.00 175.55 175.62 1i50 h PRO 114 N 2.58 0.15 -0.39 -1.71 0.13 -1.99 -1.87 132.00 128.91 1i50 h PRO 114 Ca -0.47 -0.01 0.08 0.00 -0.87 0.00 0.00 66.00 64.74 1i50 h PRO 114 Cb 1.18 -0.03 -0.08 0.00 0.13 0.00 0.00 31.00 32.19 1i50 h PRO 114 CO 0.72 0.10 -0.18 0.37 -0.23 0.00 0.00 178.00 178.78 1i50 h GLN 115 N 0.15 -0.11 -0.08 0.86 5.75 -1.88 -0.62 115.11 119.19 1i50 h GLN 115 Ca 0.27 0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.73 1i50 h GLN 115 Cb 0.41 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.97 1i50 h GLN 115 CO -0.42 -0.07 -0.17 1.49 -2.65 0.00 0.00 178.83 177.01 1i50 h GLU 116 N -0.11 0.13 -0.05 1.69 4.81 -1.82 -2.59 114.58 116.64 1i50 h GLU 116 Ca 0.19 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.27 1i50 h GLU 116 Cb 0.40 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1i50 h GLU 116 CO -0.46 0.30 -0.55 0.00 -0.73 0.00 0.00 179.01 177.58 1i50 h ALA 117 N 1.71 1.00 0.13 2.92 0.00 -0.33 -0.84 119.26 123.85 1i50 h ALA 117 Ca 0.02 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1i50 h ALA 117 Cb 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1i50 h ALA 117 CO 0.02 0.69 -0.06 0.00 0.00 0.00 0.00 179.25 179.90 1i50 h ARG 118 N 0.10 -0.16 0.40 0.00 3.08 -0.95 0.60 114.38 117.44 1i50 h ARG 118 Ca -0.00 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1i50 h ARG 118 Cb 1.00 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.09 1i50 h ARG 118 CO 0.08 0.24 -0.19 -0.07 -1.07 0.00 0.00 179.97 178.96 1i50 h LEU 119 N -0.63 -0.45 0.00 3.04 3.38 -1.49 -2.97 115.31 116.19 1i50 h LEU 119 Ca -0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1i50 h LEU 119 Cb 0.48 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1i50 h LEU 119 CO 0.03 -0.32 0.00 -1.14 0.09 0.00 0.00 178.44 177.10 1i50 n ARG 120 N -5.32 0.76 -3.95 1.13 3.00 -0.32 -4.88 116.66 107.08 1i50 n ARG 120 Ca -0.11 0.00 -0.27 0.00 -0.00 0.00 0.00 57.85 57.47 1i50 n ARG 120 Cb 0.23 -1.11 -0.01 0.00 0.00 0.00 0.00 32.46 31.57 1i50 n ARG 120 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1i50 n ASN 121 N -0.61 -1.53 -1.98 6.15 5.03 -1.04 -4.70 115.26 116.58 1i50 n ASN 121 Ca 0.04 -0.95 0.00 0.00 0.87 0.00 0.00 54.58 54.55 1i50 n ASN 121 Cb 0.02 -3.29 0.00 0.00 -1.02 0.00 0.00 39.78 35.49 1i50 n ASN 121 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1i50 n LEU 122 N -4.41 0.00 -3.94 3.41 4.77 0.17 -3.85 117.00 113.15 1i50 n LEU 122 Ca -0.20 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.50 1i50 n LEU 122 Cb 0.63 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.56 1i50 n LEU 122 CO 0.76 -0.44 -0.45 -0.89 -1.33 0.00 0.00 177.39 175.03 1i50 s THR 123 N 0.81 1.26 -1.13 -5.08 2.01 -1.26 0.10 115.64 112.35 1i50 s THR 123 Ca 0.00 -0.53 -0.21 0.00 0.31 0.00 0.00 61.69 61.25 1i50 s THR 123 Cb 0.00 -1.29 0.01 0.00 0.01 0.00 0.00 72.50 71.23 1i50 s THR 123 CO 0.00 0.32 1.73 -0.47 -0.69 0.00 0.00 174.62 175.51 1i50 s TYR 124 N 1.60 2.38 0.45 4.92 5.04 -0.57 -4.91 117.35 126.27 1i50 s TYR 124 Ca 0.03 -0.60 0.03 0.00 -2.44 0.00 0.00 57.07 54.09 1i50 s TYR 124 Cb -0.14 -4.47 -0.02 0.00 0.35 0.00 0.00 41.96 37.69 1i50 s TYR 124 CO -0.09 -1.71 0.07 -1.54 -1.34 0.00 0.00 175.55 170.94 1i50 s SER 125 N 5.53 3.39 0.04 4.32 1.04 -1.26 -0.31 113.70 126.45 1i50 s SER 125 Ca 0.57 -1.66 -0.00 0.00 0.48 0.00 0.00 55.95 55.34 1i50 s SER 125 Cb 0.00 0.49 -0.03 0.00 0.10 0.00 0.00 66.02 66.58 1i50 s SER 125 CO 0.03 -0.89 -0.03 -0.44 0.98 0.00 0.00 173.24 172.88 1i50 s SER 126 N -3.72 0.45 0.10 7.02 0.01 0.80 -2.30 113.70 116.06 1i50 s SER 126 Ca 0.16 -0.80 -0.31 0.00 1.31 0.00 0.00 55.95 56.32 1i50 s SER 126 Cb 0.02 0.15 -0.07 0.00 0.21 0.00 0.00 66.02 66.33 1i50 s SER 126 CO 0.10 -0.46 1.30 -0.83 0.41 0.00 0.00 173.24 173.76 1i50 s GLY 127 N -2.33 2.20 -0.41 3.44 0.00 -1.26 -0.68 107.32 108.28 1i50 s GLY 127 Ca -0.02 1.01 -0.10 0.00 0.00 0.00 0.00 44.72 45.61 1i50 s GLY 127 CO -0.06 2.19 0.26 -2.27 0.00 0.00 0.00 173.10 173.22 1i50 s LEU 128 N 0.95 5.08 -0.16 0.66 2.96 -0.99 -1.13 118.68 126.04 1i50 s LEU 128 Ca 0.61 -1.35 -0.03 0.00 -0.22 0.00 0.00 54.13 53.14 1i50 s LEU 128 Cb -0.34 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.31 1i50 s LEU 128 CO 0.31 -0.51 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.42 1i50 s PHE 129 N 1.48 2.99 0.56 5.38 0.40 -0.67 -0.27 117.98 127.85 1i50 s PHE 129 Ca 0.03 -0.44 0.09 0.00 -0.60 0.00 0.00 56.93 56.01 1i50 s PHE 129 Cb -0.22 -1.97 0.09 0.00 0.51 0.00 0.00 43.02 41.42 1i50 s PHE 129 CO 0.04 -0.14 0.72 0.28 0.70 0.00 0.00 175.22 176.82 1i50 n VAL 130 N 3.77 0.00 -3.69 -0.44 0.31 -0.96 0.23 118.33 117.54 1i50 n VAL 130 Ca -0.18 -1.93 -0.30 0.00 -0.01 0.00 0.00 64.34 61.93 1i50 n VAL 130 Cb 0.52 -0.45 -0.14 0.00 -0.91 0.00 0.00 33.84 32.87 1i50 n VAL 130 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1i50 s ASP 131 N -4.46 3.79 0.21 4.52 -1.08 0.26 -4.14 116.67 115.77 1i50 s ASP 131 Ca 0.55 -2.00 -0.19 0.00 -0.52 0.00 0.00 52.55 50.39 1i50 s ASP 131 Cb -0.04 -0.86 -0.08 0.00 -1.46 0.00 0.00 42.92 40.48 1i50 s ASP 131 CO 0.35 -0.36 0.70 -0.69 0.52 0.00 0.00 175.17 175.69 1i50 s VAL 132 N 1.17 4.61 -0.52 1.11 1.01 -1.26 0.05 120.40 126.58 1i50 s VAL 132 Ca 0.13 1.21 0.01 0.00 0.00 0.00 0.00 61.98 63.34 1i50 s VAL 132 Cb -0.20 -3.84 0.13 0.00 0.00 0.00 0.00 36.38 32.47 1i50 s VAL 132 CO -0.15 0.21 0.29 -0.54 0.00 0.00 0.00 175.10 174.91 1i50 s LYS 133 N -1.97 2.10 -0.41 2.72 1.02 -0.56 -4.95 119.74 117.69 1i50 s LYS 133 Ca 0.42 -2.45 -0.29 0.00 0.02 0.00 0.00 55.97 53.67 1i50 s LYS 133 Cb -0.16 -3.45 0.02 0.00 -0.52 0.00 0.00 37.83 33.72 1i50 s LYS 133 CO 0.21 -1.11 1.20 0.15 -0.92 0.00 0.00 175.35 174.88 1i50 s LYS 134 N 0.02 3.79 -0.06 1.68 1.02 -1.26 -3.10 119.74 121.83 1i50 s LYS 134 Ca 0.16 0.84 0.02 0.00 0.02 0.00 0.00 55.97 57.00 1i50 s LYS 134 Cb -0.23 -3.89 0.02 0.00 -0.52 0.00 0.00 37.83 33.20 1i50 s LYS 134 CO -0.02 -1.28 -0.11 1.03 -0.92 0.00 0.00 175.35 174.05 1i50 s ARG 135 N 4.35 1.53 0.03 1.68 0.52 -1.26 -4.97 118.95 120.82 1i50 s ARG 135 Ca 0.51 -0.35 -0.30 0.00 -0.52 0.00 0.00 55.73 55.07 1i50 s ARG 135 Cb -0.11 -1.30 -0.06 0.00 0.52 0.00 0.00 34.95 34.01 1i50 s ARG 135 CO 0.27 0.00 1.39 0.99 0.02 0.00 0.00 175.30 177.98 1i50 s THR 136 N 0.73 3.63 0.18 0.02 2.01 -1.26 0.16 115.64 121.10 1i50 s THR 136 Ca -0.14 1.07 -0.05 0.00 0.31 0.00 0.00 61.69 62.88 1i50 s THR 136 Cb -0.15 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 1i50 s THR 136 CO 0.03 0.02 0.22 -0.31 -0.69 0.00 0.00 174.62 173.89 1i50 s TYR 137 N 2.04 0.73 -0.38 4.92 1.51 -1.26 -4.71 117.35 120.20 1i50 s TYR 137 Ca 0.64 -1.05 0.05 0.00 -1.01 0.00 0.00 57.07 55.70 1i50 s TYR 137 Cb -0.33 -0.27 0.45 0.00 -0.11 0.00 0.00 41.96 41.70 1i50 s TYR 137 CO 0.28 -0.69 1.29 0.39 -1.11 0.00 0.00 175.55 175.70 1i50 n GLU 138 N -0.23 3.46 0.01 -0.62 1.02 -1.26 -4.75 120.64 118.26 1i50 n GLU 138 Ca -0.03 -4.13 -0.02 0.00 -0.02 0.00 0.00 57.16 52.95 1i50 n GLU 138 Cb 0.64 -2.27 -0.01 0.00 -0.02 0.00 0.00 31.44 29.77 1i50 n GLU 138 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1i50 h LYS 164 N 2.27 -0.09 -0.11 3.49 3.64 -1.95 -3.53 116.57 120.28 1i50 h LYS 164 Ca 0.39 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1i50 h LYS 164 Cb 1.29 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1i50 h LYS 164 CO 0.89 -0.06 0.00 0.28 -2.27 0.00 0.00 179.45 178.29 1i50 n VAL 165 N -2.92 -0.25 -3.30 2.00 0.31 -1.26 -3.99 118.33 108.93 1i50 n VAL 165 Ca -0.01 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.94 1i50 n VAL 165 Cb 0.06 -0.25 -0.06 0.00 -0.91 0.00 0.00 33.84 32.68 1i50 n VAL 165 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1i50 s PHE 166 N -0.02 3.66 -0.31 3.52 5.36 -1.26 -2.27 117.98 126.66 1i50 s PHE 166 Ca 0.00 1.08 -0.01 0.00 -0.96 0.00 0.00 56.93 57.05 1i50 s PHE 166 Cb 0.00 -2.52 0.13 0.00 -0.34 0.00 0.00 43.02 40.30 1i50 s PHE 166 CO 0.00 0.39 0.26 0.42 -1.46 0.00 0.00 175.22 174.83 1i50 s ILE 167 N -0.25 -0.25 0.35 3.12 1.01 0.62 -4.83 121.20 120.98 1i50 s ILE 167 Ca 0.28 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 60.15 1i50 s ILE 167 Cb -0.17 -0.94 0.00 0.00 0.01 0.00 0.00 42.46 41.35 1i50 s ILE 167 CO 0.15 -0.61 0.00 0.61 0.00 0.00 0.00 174.94 175.09 1i50 n GLY 168 N 4.96 -2.20 3.19 6.18 0.00 -1.19 -4.29 105.19 111.84 1i50 n GLY 168 Ca 0.01 -1.19 -0.26 0.00 0.00 0.00 0.00 46.02 44.58 1i50 n GLY 168 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i50 s ARG 169 N -2.59 1.50 -0.26 1.61 0.52 -1.26 -2.35 118.95 116.12 1i50 s ARG 169 Ca 0.00 -0.69 -0.04 0.00 -0.52 0.00 0.00 55.73 54.48 1i50 s ARG 169 Cb 0.00 -1.46 0.01 0.00 0.52 0.00 0.00 34.95 34.02 1i50 s ARG 169 CO 0.00 0.40 -0.00 -1.17 0.02 0.00 0.00 175.30 174.55 1i50 s LEU 170 N -0.50 3.39 0.22 2.53 2.96 0.14 -4.30 118.68 123.13 1i50 s LEU 170 Ca 0.07 -0.70 -0.31 0.00 -0.22 0.00 0.00 54.13 52.98 1i50 s LEU 170 Cb -0.07 -1.77 -0.10 0.00 0.50 0.00 0.00 46.19 44.75 1i50 s LEU 170 CO -0.01 -0.13 1.54 -2.16 -1.32 0.00 0.00 176.35 174.27 1i50 s PRO 171 N 1.43 4.21 -0.16 0.98 0.04 -1.26 -0.14 135.00 140.10 1i50 s PRO 171 Ca 0.02 2.40 -0.07 0.00 0.04 0.00 0.00 61.00 63.39 1i50 s PRO 171 Cb -0.16 -3.11 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 1i50 s PRO 171 CO -0.01 -0.56 0.09 0.42 0.04 0.00 0.00 177.00 176.98 1i50 s ILE 172 N 0.53 5.05 -0.04 0.56 1.01 0.58 -4.89 121.20 123.99 1i50 s ILE 172 Ca 0.65 0.05 -0.30 0.00 0.00 0.00 0.00 60.65 61.05 1i50 s ILE 172 Cb -0.44 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 1i50 s ILE 172 CO 0.38 0.52 1.33 -0.32 0.00 0.00 0.00 174.94 176.85 1i50 s MET 173 N -0.16 4.29 0.37 2.79 -2.45 -1.26 -4.60 119.30 118.27 1i50 s MET 173 Ca 0.09 1.84 -0.26 0.00 -1.25 0.00 0.00 55.69 56.11 1i50 s MET 173 Cb -0.12 -3.62 -0.12 0.00 1.25 0.00 0.00 34.83 32.22 1i50 s MET 173 CO 0.01 -0.57 1.02 1.28 1.05 0.00 0.00 175.02 177.81 1i50 n LEU 174 N 5.61 2.37 -0.47 4.11 4.32 0.19 -2.02 117.00 131.10 1i50 n LEU 174 Ca 0.13 1.09 -0.06 0.00 -0.02 0.00 0.00 56.01 57.15 1i50 n LEU 174 Cb 0.45 -1.34 -0.03 0.00 -1.62 0.00 0.00 43.42 40.88 1i50 n LEU 174 CO 0.57 -1.40 -0.06 0.54 -1.22 0.00 0.00 177.39 175.82 1i50 n ARG 175 N 0.38 -1.37 -2.17 3.23 1.74 -1.26 -4.35 116.66 112.86 1i50 n ARG 175 Ca 0.09 0.64 -0.26 0.00 -0.77 0.00 0.00 57.85 57.55 1i50 n ARG 175 Cb 0.37 -4.80 0.09 0.00 -1.02 0.00 0.00 32.46 27.09 1i50 n ARG 175 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1i50 s SER 176 N -2.32 4.53 0.38 0.55 1.04 -0.86 -4.63 113.70 112.39 1i50 s SER 176 Ca 0.00 0.39 0.15 0.00 0.48 0.00 0.00 55.95 56.97 1i50 s SER 176 Cb 0.00 -0.93 1.00 0.00 0.10 0.00 0.00 66.02 66.19 1i50 s SER 176 CO 0.00 -1.79 1.80 0.11 0.98 0.00 0.00 173.24 174.34 1i50 h LYS 177 N -0.77 0.48 -0.32 4.02 1.57 -1.93 -2.05 116.57 117.57 1i50 h LYS 177 Ca -0.44 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.16 1i50 h LYS 177 Cb 1.30 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 1i50 h LYS 177 CO 0.56 0.32 -0.39 -0.91 -0.57 0.00 0.00 179.45 178.46 1i50 h ASN 178 N 0.50 0.83 -4.09 0.86 4.21 -1.92 -3.46 115.58 112.51 1i50 h ASN 178 Ca 0.55 -0.38 -0.56 0.00 1.21 0.00 0.00 56.30 57.12 1i50 h ASN 178 Cb 1.24 -0.23 0.15 0.00 -1.12 0.00 0.00 38.32 38.36 1i50 h ASN 178 CO -0.28 1.12 0.55 0.00 -1.29 0.00 0.00 177.43 177.53 1i50 n TYR 180 N -1.68 0.57 0.16 0.00 4.02 -1.26 -3.14 117.16 115.84 1i50 n TYR 180 Ca 0.14 0.22 0.12 0.00 -0.01 0.00 0.00 57.90 58.37 1i50 n TYR 180 Cb 0.47 -0.85 0.03 0.00 -0.02 0.00 0.00 39.34 38.97 1i50 n TYR 180 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1i50 h LEU 181 N 0.00 0.00 -0.98 7.72 3.38 -1.91 -3.35 115.31 120.17 1i50 h LEU 181 Ca 0.00 -0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.07 1i50 h LEU 181 Cb 0.37 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.04 1i50 h LEU 181 CO 0.00 0.01 0.60 0.77 0.09 0.00 0.00 178.44 179.91 1i50 h SER 182 N 0.00 0.87 -0.32 -0.43 4.64 -1.77 -1.60 113.55 114.94 1i50 h SER 182 Ca 0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1i50 h SER 182 Cb 0.97 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1i50 h SER 182 CO 0.00 0.45 0.00 -0.62 -0.87 0.00 0.00 176.83 175.79 1i50 n GLU 183 N -4.66 2.46 -2.51 4.77 1.02 -1.26 -4.98 120.64 115.48 1i50 n GLU 183 Ca 0.19 -2.22 -0.40 0.00 -0.02 0.00 0.00 57.16 54.71 1i50 n GLU 183 Cb 0.37 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.24 1i50 n GLU 183 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i50 s ALA 184 N -1.56 3.37 0.97 0.62 0.00 -0.60 -5.05 121.76 119.51 1i50 s ALA 184 Ca 0.36 0.85 -0.13 0.00 0.00 0.00 0.00 51.96 53.04 1i50 s ALA 184 Cb 0.22 -3.31 0.19 0.00 0.00 0.00 0.00 23.12 20.22 1i50 s ALA 184 CO 0.31 -0.12 1.14 0.25 0.00 0.00 0.00 175.76 177.34 1i50 n THR 185 N 1.13 0.00 0.22 0.00 -2.24 -1.26 -4.85 114.28 107.27 1i50 n THR 185 Ca -0.01 -0.92 -0.15 0.00 -2.27 0.00 0.00 64.05 60.70 1i50 n THR 185 Cb 0.45 -1.50 -0.08 0.00 -2.10 0.00 0.00 70.33 67.10 1i50 n THR 185 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1i50 h GLU 186 N 0.00 -0.52 -0.15 -0.78 4.81 -2.00 -2.10 114.58 113.84 1i50 h GLU 186 Ca -0.37 0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 58.87 1i50 h GLU 186 Cb 1.05 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 1i50 h GLU 186 CO 0.27 -0.27 -0.03 0.66 -0.73 0.00 0.00 179.01 178.91 1i50 h SER 187 N -0.69 0.20 -0.25 1.04 4.64 -2.00 0.10 113.55 116.59 1i50 h SER 187 Ca -0.06 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.21 1i50 h SER 187 Cb 0.49 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 1i50 h SER 187 CO 0.09 0.27 0.09 0.44 -0.87 0.00 0.00 176.83 176.85 1i50 h ASP 188 N 0.21 0.42 -0.24 4.97 3.32 -1.87 -1.20 116.42 122.03 1i50 h ASP 188 Ca 0.05 -0.05 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 1i50 h ASP 188 Cb 0.21 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1i50 h ASP 188 CO 0.01 0.42 -0.43 -0.07 -1.72 0.00 0.00 179.24 177.45 1i50 h LEU 189 N 0.46 0.80 -0.13 1.55 3.38 -0.30 -2.56 115.31 118.51 1i50 h LEU 189 Ca 0.11 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 1i50 h LEU 189 Cb 0.17 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1i50 h LEU 189 CO -0.01 1.18 0.02 1.88 0.09 0.00 0.00 178.44 181.61 1i50 h TYR 190 N 0.45 0.22 -0.02 1.13 -1.99 -0.91 -0.65 116.97 115.19 1i50 h TYR 190 Ca 0.01 -0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.72 1i50 h TYR 190 Cb 1.03 -0.06 -0.00 0.00 2.00 0.00 0.00 36.73 39.70 1i50 h TYR 190 CO 0.08 0.39 0.03 0.87 -0.00 0.00 0.00 178.16 179.53 1i50 h LYS 191 N -0.01 0.00 -0.13 4.88 1.57 -1.29 0.15 116.57 121.74 1i50 h LYS 191 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1i50 h LYS 191 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1i50 h LYS 191 CO 0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 1i50 n LEU 192 N -3.72 1.72 -3.41 2.94 4.77 -0.81 -4.93 117.00 113.55 1i50 n LEU 192 Ca -0.02 -0.68 -0.23 0.00 -0.03 0.00 0.00 56.01 55.04 1i50 n LEU 192 Cb 0.11 -0.08 0.07 0.00 -2.33 0.00 0.00 43.42 41.19 1i50 n LEU 192 CO 0.26 0.34 0.21 0.29 -1.33 0.00 0.00 177.39 177.16 1i50 n LYS 193 N 0.35 -7.35 -3.95 3.23 5.02 0.53 -4.66 118.16 111.33 1i50 n LYS 193 Ca 0.17 0.81 -0.30 0.00 -2.02 0.00 0.00 58.31 56.97 1i50 n LYS 193 Cb 0.35 -5.75 -0.16 0.00 -0.02 0.00 0.00 35.03 29.45 1i50 n LYS 193 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1i50 s GLU 194 N -6.20 1.74 0.05 1.97 0.41 -0.31 -4.83 118.70 111.53 1i50 s GLU 194 Ca 0.53 -0.80 -0.36 0.00 -0.41 0.00 0.00 54.97 53.93 1i50 s GLU 194 Cb -0.24 -2.37 -0.15 0.00 -1.78 0.00 0.00 34.13 29.60 1i50 s GLU 194 CO 0.66 -0.48 1.52 0.00 -0.49 0.00 0.00 175.26 176.47 1i50 n PRO 196 N 3.59 0.15 0.00 0.00 -0.04 -1.26 -1.11 135.00 136.33 1i50 n PRO 196 Ca 0.19 0.59 0.13 0.00 -0.04 0.00 0.00 63.50 64.37 1i50 n PRO 196 Cb 0.23 -1.94 0.41 0.00 -0.04 0.00 0.00 33.50 32.16 1i50 n PRO 196 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1i50 n PHE 197 N -2.26 0.00 -1.94 0.54 3.01 -1.26 -4.89 117.46 110.66 1i50 n PHE 197 Ca -0.01 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.05 1i50 n PHE 197 Cb 0.08 -0.36 -0.01 0.00 -0.01 0.00 0.00 39.48 39.19 1i50 n PHE 197 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1i50 s ASP 198 N -2.99 6.40 -0.21 4.37 -1.08 -0.27 -4.95 116.67 117.94 1i50 s ASP 198 Ca 0.13 2.86 -0.20 0.00 -0.52 0.00 0.00 52.55 54.81 1i50 s ASP 198 Cb 0.18 -2.66 -0.17 0.00 -1.46 0.00 0.00 42.92 38.81 1i50 s ASP 198 CO 0.62 -0.81 0.12 1.15 0.52 0.00 0.00 175.17 176.78 1i50 n MET 199 N 0.42 0.56 -1.20 4.34 0.00 -1.26 -5.06 117.12 114.91 1i50 n MET 199 Ca 0.02 0.54 0.00 0.00 0.00 0.00 0.00 57.70 58.26 1i50 n MET 199 Cb 0.41 -1.71 0.00 0.00 0.00 0.00 0.00 33.22 31.92 1i50 n MET 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1i50 n GLY 200 N 1.42 0.95 1.86 3.17 0.00 -1.26 -4.84 105.19 106.50 1i50 n GLY 200 Ca -0.33 -0.57 -0.17 0.00 0.00 0.00 0.00 46.02 44.95 1i50 n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i50 n GLY 201 N -1.12 4.04 3.44 -0.02 0.00 -1.26 -3.56 105.19 106.71 1i50 n GLY 201 Ca 0.00 -1.06 -0.24 0.00 0.00 0.00 0.00 46.02 44.73 1i50 n GLY 201 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1i50 s TYR 202 N -1.96 1.76 0.31 1.61 -0.85 -1.26 -4.79 117.35 112.17 1i50 s TYR 202 Ca 0.33 -1.42 0.10 0.00 -0.52 0.00 0.00 57.07 55.57 1i50 s TYR 202 Cb 0.27 -1.01 -0.05 0.00 0.38 0.00 0.00 41.96 41.55 1i50 s TYR 202 CO 0.01 -0.49 -0.04 -0.06 -1.52 0.00 0.00 175.55 173.45 1i50 s PHE 203 N -3.30 2.53 -0.33 -3.49 0.40 -0.50 -0.63 117.98 112.65 1i50 s PHE 203 Ca 0.29 -0.35 0.03 0.00 -0.60 0.00 0.00 56.93 56.30 1i50 s PHE 203 Cb 0.02 -1.29 0.10 0.00 0.51 0.00 0.00 43.02 42.36 1i50 s PHE 203 CO 0.19 0.57 0.06 0.42 0.70 0.00 0.00 175.22 177.16 1i50 s ILE 204 N -2.46 2.02 -0.25 0.64 1.01 -1.26 -0.18 121.20 120.72 1i50 s ILE 204 Ca 0.33 -2.16 -0.02 0.00 0.00 0.00 0.00 60.65 58.79 1i50 s ILE 204 Cb -0.03 -2.49 0.02 0.00 0.01 0.00 0.00 42.46 39.97 1i50 s ILE 204 CO 0.18 -0.60 -0.05 -0.63 0.00 0.00 0.00 174.94 173.84 1i50 s ILE 205 N 1.04 3.01 -1.48 2.92 1.01 -0.29 -1.51 121.20 125.90 1i50 s ILE 205 Ca 0.10 -0.91 -0.07 0.00 0.00 0.00 0.00 60.65 59.77 1i50 s ILE 205 Cb -0.19 -2.50 0.02 0.00 0.01 0.00 0.00 42.46 39.80 1i50 s ILE 205 CO -0.11 0.24 0.80 0.59 0.00 0.00 0.00 174.94 176.46 1i50 n ASN 206 N 4.70 -5.99 0.00 3.58 3.02 0.63 -2.17 115.26 119.03 1i50 n ASN 206 Ca -0.17 -0.40 0.00 0.00 -0.03 0.00 0.00 54.58 53.98 1i50 n ASN 206 Cb 0.48 -4.80 0.00 0.00 -0.61 0.00 0.00 39.78 34.85 1i50 n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i50 n GLY 207 N -1.67 3.13 3.87 7.41 0.00 0.28 -4.47 105.19 113.75 1i50 n GLY 207 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 1i50 n GLY 207 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1i50 s SER 208 N -0.75 6.51 -0.20 1.61 1.04 -0.92 -4.49 113.70 116.50 1i50 s SER 208 Ca 0.00 0.61 -0.29 0.00 0.48 0.00 0.00 55.95 56.74 1i50 s SER 208 Cb 0.00 -2.12 -0.01 0.00 0.10 0.00 0.00 66.02 63.99 1i50 s SER 208 CO 0.00 0.35 1.28 -1.61 0.98 0.00 0.00 173.24 174.24 1i50 s GLU 209 N -1.22 4.14 -0.07 4.02 2.02 -1.26 -1.13 118.70 125.19 1i50 s GLU 209 Ca 0.20 1.55 0.03 0.00 0.02 0.00 0.00 54.97 56.78 1i50 s GLU 209 Cb -0.13 -3.80 -0.02 0.00 0.10 0.00 0.00 34.13 30.28 1i50 s GLU 209 CO 0.09 -0.82 -0.17 0.15 0.02 0.00 0.00 175.26 174.54 1i50 s LYS 210 N 3.69 2.77 0.00 1.61 -0.14 0.75 -0.33 119.74 128.09 1i50 s LYS 210 Ca 0.55 -0.74 0.05 0.00 -1.36 0.00 0.00 55.97 54.47 1i50 s LYS 210 Cb -0.20 -2.40 -0.03 0.00 -1.68 0.00 0.00 37.83 33.52 1i50 s LYS 210 CO 0.17 0.45 -0.15 0.08 -0.76 0.00 0.00 175.35 175.13 1i50 s VAL 211 N -0.28 2.97 -0.49 3.17 1.01 0.12 -1.41 120.40 125.49 1i50 s VAL 211 Ca 0.01 -0.96 -0.15 0.00 0.00 0.00 0.00 61.98 60.88 1i50 s VAL 211 Cb -0.13 -2.22 0.09 0.00 0.00 0.00 0.00 36.38 34.12 1i50 s VAL 211 CO 0.03 0.45 0.42 -0.76 0.00 0.00 0.00 175.10 175.23 1i50 s LEU 212 N -1.15 5.74 0.23 3.92 1.43 -1.26 -1.00 118.68 126.60 1i50 s LEU 212 Ca 0.14 -1.45 -0.30 0.00 -1.03 0.00 0.00 54.13 51.49 1i50 s LEU 212 Cb -0.11 -2.18 -0.09 0.00 0.03 0.00 0.00 46.19 43.84 1i50 s LEU 212 CO 0.04 -0.69 1.34 -0.63 0.23 0.00 0.00 176.35 176.63 1i50 s ILE 213 N 1.62 2.99 0.25 -0.59 -1.09 -0.52 -4.72 121.20 119.14 1i50 s ILE 213 Ca 0.04 0.85 -0.31 0.00 -2.23 0.00 0.00 60.65 59.00 1i50 s ILE 213 Cb -0.26 -3.54 -0.11 0.00 -1.58 0.00 0.00 42.46 36.97 1i50 s ILE 213 CO 0.06 0.14 1.62 0.00 -1.23 0.00 0.00 174.94 175.53 1i50 s ALA 214 N -0.15 3.80 -0.31 9.38 0.00 -1.14 -4.84 121.76 128.51 1i50 s ALA 214 Ca 0.56 1.53 -0.09 0.00 0.00 0.00 0.00 51.96 53.96 1i50 s ALA 214 Cb -0.38 -3.65 -0.00 0.00 0.00 0.00 0.00 23.12 19.08 1i50 s ALA 214 CO 0.42 -0.92 0.14 -0.65 0.00 0.00 0.00 175.76 174.75 1i50 s GLN 215 N 0.25 3.28 -0.02 0.00 -1.52 -0.10 -0.26 119.66 121.30 1i50 s GLN 215 Ca 0.67 -0.75 -0.24 0.00 -1.95 0.00 0.00 55.36 53.09 1i50 s GLN 215 Cb -0.47 -3.54 -0.04 0.00 -0.22 0.00 0.00 33.01 28.74 1i50 s GLN 215 CO 0.40 -0.43 0.72 -2.00 -0.25 0.00 0.00 175.29 173.74 1i50 s GLU 216 N 1.59 4.45 0.13 2.91 2.12 0.08 0.10 118.70 130.07 1i50 s GLU 216 Ca 0.04 0.95 -0.11 0.00 0.36 0.00 0.00 54.97 56.21 1i50 s GLU 216 Cb -0.17 -3.41 0.01 0.00 0.26 0.00 0.00 34.13 30.82 1i50 s GLU 216 CO 0.06 0.17 0.29 -0.98 -0.54 0.00 0.00 175.26 174.26 1i50 s ARG 217 N 0.39 1.02 0.52 4.30 1.70 0.29 -4.44 118.95 122.74 1i50 s ARG 217 Ca 0.38 -0.94 -0.21 0.00 -0.47 0.00 0.00 55.73 54.48 1i50 s ARG 217 Cb -0.19 0.40 -0.06 0.00 -0.57 0.00 0.00 34.95 34.53 1i50 s ARG 217 CO 0.20 -0.37 1.22 -1.12 -1.08 0.00 0.00 175.30 174.15 1i50 s SER 218 N -2.87 5.68 0.61 -2.89 0.01 -1.26 -0.33 113.70 112.64 1i50 s SER 218 Ca 0.08 2.42 -0.14 0.00 1.31 0.00 0.00 55.95 59.62 1i50 s SER 218 Cb 0.03 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.62 1i50 s SER 218 CO -0.08 -1.26 1.04 0.00 0.41 0.00 0.00 173.24 173.35 1i50 s ALA 219 N -1.52 2.86 0.58 1.44 0.00 -0.36 -4.72 121.76 120.04 1i50 s ALA 219 Ca 0.70 0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.88 1i50 s ALA 219 Cb -0.31 -3.17 0.07 0.00 0.00 0.00 0.00 23.12 19.71 1i50 s ALA 219 CO 0.36 -0.78 0.80 0.20 0.00 0.00 0.00 175.76 176.35 1i50 s GLY 220 N -3.36 1.81 -1.21 0.00 0.00 -1.26 -4.65 107.32 98.64 1i50 s GLY 220 Ca 0.60 -1.72 -0.10 0.00 0.00 0.00 0.00 44.72 43.50 1i50 s GLY 220 CO 0.44 -1.33 0.73 0.70 0.00 0.00 0.00 173.10 173.64 1i50 n ASN 221 N -2.36 -3.56 -3.70 1.64 3.02 -0.90 -4.94 115.26 104.46 1i50 n ASN 221 Ca 0.12 -0.91 -0.14 0.00 -0.03 0.00 0.00 54.58 53.62 1i50 n ASN 221 Cb 0.60 -3.80 -0.14 0.00 -0.61 0.00 0.00 39.78 35.84 1i50 n ASN 221 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1i50 s ILE 222 N -3.58 -0.18 0.24 2.41 1.01 -1.26 -4.31 121.20 115.52 1i50 s ILE 222 Ca 0.27 0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.84 1i50 s ILE 222 Cb -0.08 -0.36 -0.09 0.00 0.01 0.00 0.00 42.46 41.94 1i50 s ILE 222 CO 0.83 0.09 1.11 -0.69 0.00 0.00 0.00 174.94 176.29 1i50 s VAL 223 N 1.73 3.61 -0.16 2.92 1.01 -1.26 -4.27 120.40 123.99 1i50 s VAL 223 Ca -0.04 1.51 -0.06 0.00 0.00 0.00 0.00 61.98 63.39 1i50 s VAL 223 Cb -0.11 -3.96 0.07 0.00 0.00 0.00 0.00 36.38 32.38 1i50 s VAL 223 CO -0.08 0.31 0.33 -1.10 0.00 0.00 0.00 175.10 174.57 1i50 s GLN 224 N -0.95 0.23 0.07 2.72 -0.21 -0.09 -4.95 119.66 116.47 1i50 s GLN 224 Ca 0.47 0.86 -0.09 0.00 0.02 0.00 0.00 55.36 56.62 1i50 s GLN 224 Cb -0.31 0.11 -0.06 0.00 1.00 0.00 0.00 33.01 33.76 1i50 s GLN 224 CO 0.39 -0.26 0.37 0.08 -2.12 0.00 0.00 175.29 173.74 1i50 s VAL 225 N 2.43 5.15 -0.01 1.09 1.01 -1.26 -0.27 120.40 128.53 1i50 s VAL 225 Ca -0.01 0.36 -0.02 0.00 0.00 0.00 0.00 61.98 62.32 1i50 s VAL 225 Cb -0.12 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.63 1i50 s VAL 225 CO -0.10 0.29 0.04 -0.36 0.00 0.00 0.00 175.10 174.97 1i50 s PHE 226 N -1.39 0.01 0.98 5.22 2.99 0.24 -2.30 117.98 123.74 1i50 s PHE 226 Ca 0.32 -0.01 -0.16 0.00 0.00 0.00 0.00 56.93 57.07 1i50 s PHE 226 Cb -0.14 -0.03 0.21 0.00 0.00 0.00 0.00 43.02 43.07 1i50 s PHE 226 CO 0.18 -0.08 1.32 0.15 -0.00 0.00 0.00 175.22 176.79 1i50 s LYS 227 N -0.37 0.46 -0.04 0.44 -0.14 -1.26 -1.81 119.74 117.03 1i50 s LYS 227 Ca -0.04 -0.41 -0.10 0.00 -1.36 0.00 0.00 55.97 54.05 1i50 s LYS 227 Cb -0.03 -1.83 0.02 0.00 -1.68 0.00 0.00 37.83 34.31 1i50 s LYS 227 CO -0.00 -2.53 0.24 0.15 -0.76 0.00 0.00 175.35 172.44 1i50 s LYS 228 N -5.88 0.48 0.17 1.68 1.02 -1.17 -4.81 119.74 111.22 1i50 s LYS 228 Ca 0.74 -0.06 -0.32 0.00 0.02 0.00 0.00 55.97 56.35 1i50 s LYS 228 Cb -0.04 0.21 -0.16 0.00 -0.52 0.00 0.00 37.83 37.32 1i50 s LYS 228 CO 0.53 -0.11 0.98 0.00 -0.92 0.00 0.00 175.35 175.83 1i50 n ALA 229 N 1.93 -1.67 -0.49 5.17 0.00 -1.26 -4.83 120.51 119.36 1i50 n ALA 229 Ca -0.19 0.47 0.41 0.00 0.00 0.00 0.00 53.44 54.13 1i50 n ALA 229 Cb 0.57 -1.88 0.69 0.00 0.00 0.00 0.00 19.45 18.82 1i50 n ALA 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i50 h ALA 230 N 2.58 2.90 0.48 0.00 0.00 -2.00 -2.77 119.26 120.45 1i50 h ALA 230 Ca -0.40 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1i50 h ALA 230 Cb 1.38 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1i50 h ALA 230 CO 0.65 -1.57 -0.23 -1.00 0.00 0.00 0.00 179.25 177.09 1i50 h PRO 231 N 0.02 -0.63 -6.17 0.00 0.13 -1.99 -3.46 132.00 119.91 1i50 h PRO 231 Ca 0.88 0.04 -0.59 0.00 -0.87 0.00 0.00 66.00 65.46 1i50 h PRO 231 Cb 2.86 0.14 0.18 0.00 0.13 0.00 0.00 31.00 34.31 1i50 h PRO 231 CO -0.42 -0.42 -0.94 -1.13 -0.23 0.00 0.00 178.00 174.86 1i50 n SER 232 N -3.85 -2.92 -0.01 1.44 3.41 -1.05 -4.89 113.62 105.75 1i50 n SER 232 Ca -0.08 0.66 0.14 0.00 -0.26 0.00 0.00 58.87 59.33 1i50 n SER 232 Cb 0.26 -0.95 0.62 0.00 -0.26 0.00 0.00 64.21 63.87 1i50 n SER 232 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1i50 n PRO 233 N 1.01 0.19 -3.59 4.33 -0.04 -1.26 -4.69 135.00 130.96 1i50 n PRO 233 Ca 0.09 -0.02 -0.39 0.00 -0.04 0.00 0.00 63.50 63.13 1i50 n PRO 233 Cb 0.48 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.33 1i50 n PRO 233 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1i50 s ILE 234 N -2.83 5.04 -0.10 0.52 1.01 -1.26 -0.28 121.20 123.30 1i50 s ILE 234 Ca 0.19 -0.21 0.14 0.00 0.00 0.00 0.00 60.65 60.77 1i50 s ILE 234 Cb 0.19 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 1i50 s ILE 234 CO 0.52 0.07 1.26 0.77 0.00 0.00 0.00 174.94 177.56 1i50 h SER 235 N 8.42 0.00 -5.06 3.58 4.64 -1.50 -3.43 113.55 120.21 1i50 h SER 235 Ca -0.32 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.91 1i50 h SER 235 Cb 1.16 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.09 1i50 h SER 235 CO 0.61 0.62 -0.18 -1.00 -0.87 0.00 0.00 176.83 176.00 1i50 s HIS 236 N -2.90 -0.16 -0.06 4.77 3.76 -1.24 -3.03 115.29 116.44 1i50 s HIS 236 Ca 0.02 0.01 -0.05 0.00 -0.15 0.00 0.00 55.06 54.88 1i50 s HIS 236 Cb 0.08 0.15 0.02 0.00 1.11 0.00 0.00 32.58 33.94 1i50 s HIS 236 CO 0.78 -0.56 0.16 0.08 -0.85 0.00 0.00 174.74 174.35 1i50 s VAL 237 N -2.78 -0.00 -0.22 -0.90 1.01 -0.75 -1.51 120.40 115.25 1i50 s VAL 237 Ca -0.03 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 1i50 s VAL 237 Cb -0.00 -0.23 0.01 0.00 0.00 0.00 0.00 36.38 36.15 1i50 s VAL 237 CO -0.05 0.01 -0.08 0.00 0.00 0.00 0.00 175.10 174.98 1i50 s ALA 238 N 0.19 2.69 0.04 5.51 0.00 -0.76 -0.59 121.76 128.84 1i50 s ALA 238 Ca -0.01 -1.24 0.08 0.00 0.00 0.00 0.00 51.96 50.79 1i50 s ALA 238 Cb -0.02 -1.60 -0.03 0.00 0.00 0.00 0.00 23.12 21.47 1i50 s ALA 238 CO -0.00 -0.50 -0.23 -1.21 0.00 0.00 0.00 175.76 173.81 1i50 s GLU 239 N 1.41 1.92 0.00 0.00 2.02 0.62 -1.56 118.70 123.11 1i50 s GLU 239 Ca 0.04 -1.05 0.00 0.00 0.02 0.00 0.00 54.97 53.98 1i50 s GLU 239 Cb -0.14 -2.06 -0.00 0.00 0.10 0.00 0.00 34.13 32.02 1i50 s GLU 239 CO -0.05 0.53 -0.01 -1.50 0.02 0.00 0.00 175.26 174.24 1i50 s ILE 240 N -0.83 0.06 -0.68 -1.63 2.07 -0.93 -0.91 121.20 118.34 1i50 s ILE 240 Ca 0.13 -0.21 0.05 0.00 -1.41 0.00 0.00 60.65 59.21 1i50 s ILE 240 Cb -0.10 -0.09 0.17 0.00 0.13 0.00 0.00 42.46 42.56 1i50 s ILE 240 CO 0.03 -0.09 0.48 -0.60 -1.91 0.00 0.00 174.94 172.85 1i50 s ARG 241 N -0.31 2.34 0.59 3.50 3.52 -1.26 -1.59 118.95 125.74 1i50 s ARG 241 Ca -0.03 -3.26 -0.18 0.00 -0.13 0.00 0.00 55.73 52.13 1i50 s ARG 241 Cb -0.02 -3.26 -0.03 0.00 -1.56 0.00 0.00 34.95 30.08 1i50 s ARG 241 CO -0.00 -1.30 1.16 -1.54 -0.81 0.00 0.00 175.30 172.81 1i50 s SER 242 N -1.35 5.30 -0.28 -2.12 1.04 -1.21 -2.11 113.70 112.97 1i50 s SER 242 Ca 0.26 2.25 -0.24 0.00 0.48 0.00 0.00 55.95 58.69 1i50 s SER 242 Cb -0.04 -2.58 0.12 0.00 0.10 0.00 0.00 66.02 63.62 1i50 s SER 242 CO -0.17 -1.51 0.98 0.00 0.98 0.00 0.00 173.24 173.52 1i50 s ALA 243 N -1.80 -1.97 0.25 5.32 0.00 -1.26 -3.45 121.76 118.84 1i50 s ALA 243 Ca 0.74 1.94 -0.30 0.00 0.00 0.00 0.00 51.96 54.34 1i50 s ALA 243 Cb -0.26 -1.43 -0.09 0.00 0.00 0.00 0.00 23.12 21.33 1i50 s ALA 243 CO 0.33 -0.26 1.08 -0.51 0.00 0.00 0.00 175.76 176.40 1i50 s LEU 244 N 0.38 4.55 0.18 0.00 1.43 -1.26 -4.74 118.68 119.22 1i50 s LEU 244 Ca 0.01 2.19 -0.13 0.00 -1.03 0.00 0.00 54.13 55.17 1i50 s LEU 244 Cb -0.05 -3.62 0.09 0.00 0.03 0.00 0.00 46.19 42.64 1i50 s LEU 244 CO -0.06 -0.12 1.84 -0.33 0.23 0.00 0.00 176.35 177.90 1i50 h GLU 245 N 4.17 0.72 0.00 1.70 5.08 -1.97 -3.40 114.58 120.89 1i50 h GLU 245 Ca -0.46 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1i50 h GLU 245 Cb 1.21 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1i50 h GLU 245 CO 0.68 0.47 0.00 1.63 -1.00 0.00 0.00 179.01 180.80 1i50 n LYS 246 N -4.71 3.97 0.00 2.33 5.02 -1.26 -4.94 118.16 118.56 1i50 n LYS 246 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1i50 n LYS 246 Cb 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.05 1i50 n LYS 246 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i50 n GLY 247 N 5.00 2.31 3.07 0.72 0.00 -1.26 -4.02 105.19 111.01 1i50 n GLY 247 Ca 0.00 0.40 -0.32 0.00 0.00 0.00 0.00 46.02 46.10 1i50 n GLY 247 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1i50 s SER 248 N -4.00 3.08 -0.93 1.61 1.04 -1.26 -5.05 113.70 108.18 1i50 s SER 248 Ca 0.00 -0.66 -0.24 0.00 0.48 0.00 0.00 55.95 55.53 1i50 s SER 248 Cb 0.00 -1.36 -0.03 0.00 0.10 0.00 0.00 66.02 64.73 1i50 s SER 248 CO 0.00 -0.04 1.86 -0.13 0.98 0.00 0.00 173.24 175.91 1i50 s ARG 249 N 1.36 2.74 -0.60 4.02 0.52 -1.26 -4.58 118.95 121.15 1i50 s ARG 249 Ca 0.04 -0.47 -0.20 0.00 -0.52 0.00 0.00 55.73 54.58 1i50 s ARG 249 Cb -0.14 -5.12 0.09 0.00 0.52 0.00 0.00 34.95 30.30 1i50 s ARG 249 CO -0.11 -3.18 0.78 -0.06 0.02 0.00 0.00 175.30 172.74 1i50 s PHE 250 N 9.18 2.90 -1.51 -0.53 0.40 -1.26 -4.92 117.98 122.25 1i50 s PHE 250 Ca 0.66 -0.79 -0.12 0.00 -0.60 0.00 0.00 56.93 56.08 1i50 s PHE 250 Cb -0.05 -4.06 0.00 0.00 0.51 0.00 0.00 43.02 39.42 1i50 s PHE 250 CO -0.02 -1.38 2.48 -0.89 0.70 0.00 0.00 175.22 176.11 1i50 n ILE 251 N 5.67 3.87 -2.68 0.64 5.41 -1.26 -4.31 119.36 126.71 1i50 n ILE 251 Ca -0.07 -2.98 -0.42 0.00 1.00 0.00 0.00 62.75 60.28 1i50 n ILE 251 Cb 0.44 -2.58 -0.03 0.00 -0.71 0.00 0.00 39.64 36.75 1i50 n ILE 251 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1i50 s SER 252 N 2.60 7.37 -0.20 4.38 1.04 -1.22 -4.91 113.70 122.75 1i50 s SER 252 Ca 0.55 1.74 -0.10 0.00 0.48 0.00 0.00 55.95 58.62 1i50 s SER 252 Cb 0.15 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 63.65 1i50 s SER 252 CO -0.07 -0.24 0.12 -0.89 0.98 0.00 0.00 173.24 173.15 1i50 s THR 253 N 0.75 5.35 -0.17 2.02 2.01 -1.26 -3.34 115.64 121.00 1i50 s THR 253 Ca 0.51 0.17 -0.06 0.00 0.31 0.00 0.00 61.69 62.62 1i50 s THR 253 Cb -0.23 -3.44 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1i50 s THR 253 CO 0.29 0.44 0.04 -0.22 -0.69 0.00 0.00 174.62 174.48 1i50 s LEU 254 N 0.38 3.72 -0.09 4.42 2.96 -0.62 -4.76 118.68 124.70 1i50 s LEU 254 Ca 0.08 0.06 0.02 0.00 -0.22 0.00 0.00 54.13 54.07 1i50 s LEU 254 Cb -0.11 -1.93 0.01 0.00 0.50 0.00 0.00 46.19 44.67 1i50 s LEU 254 CO -0.02 0.20 -0.14 -1.10 -1.32 0.00 0.00 176.35 173.97 1i50 s GLN 255 N 0.22 1.98 -0.39 1.98 -0.21 -1.25 -2.19 119.66 119.79 1i50 s GLN 255 Ca 0.03 -0.49 -0.03 0.00 0.02 0.00 0.00 55.36 54.90 1i50 s GLN 255 Cb -0.13 -1.67 0.10 0.00 1.00 0.00 0.00 33.01 32.32 1i50 s GLN 255 CO 0.01 -0.02 0.18 0.08 -2.12 0.00 0.00 175.29 173.41 1i50 s VAL 256 N 0.86 3.23 0.03 1.09 1.01 -0.60 -0.47 120.40 125.55 1i50 s VAL 256 Ca -0.10 -1.98 -0.10 0.00 0.00 0.00 0.00 61.98 59.79 1i50 s VAL 256 Cb -0.15 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 1i50 s VAL 256 CO 0.01 -0.62 0.35 -0.54 0.00 0.00 0.00 175.10 174.30 1i50 s LYS 257 N 1.15 3.74 -0.46 2.72 1.02 0.72 -1.84 119.74 126.79 1i50 s LYS 257 Ca 0.07 0.16 -0.07 0.00 0.02 0.00 0.00 55.97 56.15 1i50 s LYS 257 Cb -0.22 -3.09 0.12 0.00 -0.52 0.00 0.00 37.83 34.12 1i50 s LYS 257 CO -0.04 0.63 0.30 -1.17 -0.92 0.00 0.00 175.35 174.15 1i50 s LEU 258 N -1.60 5.53 0.29 3.17 2.96 -0.57 -1.14 118.68 127.33 1i50 s LEU 258 Ca 0.28 -2.01 -0.29 0.00 -0.22 0.00 0.00 54.13 51.89 1i50 s LEU 258 Cb -0.14 -1.94 -0.10 0.00 0.50 0.00 0.00 46.19 44.51 1i50 s LEU 258 CO 0.15 -0.62 1.19 -0.31 -1.32 0.00 0.00 176.35 175.44 1i50 s TYR 259 N 1.20 3.35 0.00 5.38 1.51 0.57 -1.89 117.35 127.47 1i50 s TYR 259 Ca 0.07 1.56 0.00 0.00 -1.01 0.00 0.00 57.07 57.70 1i50 s TYR 259 Cb -0.24 -3.46 0.00 0.00 -0.11 0.00 0.00 41.96 38.15 1i50 s TYR 259 CO -0.02 -1.13 0.00 0.41 -1.11 0.00 0.00 175.55 173.69 1i50 n GLY 260 N 1.10 0.45 3.83 0.71 0.00 0.61 -2.59 105.19 109.31 1i50 n GLY 260 Ca -0.00 -1.49 -0.22 0.00 0.00 0.00 0.00 46.02 44.31 1i50 n GLY 260 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i50 s ARG 261 N -4.84 2.62 -0.69 1.61 0.52 -1.26 -3.92 118.95 112.99 1i50 s ARG 261 Ca 0.00 -1.38 -0.35 0.00 -0.52 0.00 0.00 55.73 53.48 1i50 s ARG 261 Cb 0.00 -2.39 -0.17 0.00 0.52 0.00 0.00 34.95 32.90 1i50 s ARG 261 CO 0.00 0.06 2.42 0.39 0.02 0.00 0.00 175.30 178.20 1i50 n GLU 262 N -1.34 0.32 0.00 3.54 1.02 -1.26 -0.28 120.64 122.63 1i50 n GLU 262 Ca -0.01 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1i50 n GLU 262 Cb 0.60 -1.91 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 1i50 n GLU 262 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i50 n GLY 263 N 6.72 1.30 3.92 0.62 0.00 -1.26 -5.11 105.19 111.38 1i50 n GLY 263 Ca 0.55 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.26 1i50 n GLY 263 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1i50 s SER 264 N -2.00 6.36 0.19 1.61 1.04 0.61 -5.06 113.70 116.45 1i50 s SER 264 Ca 0.00 0.27 -0.30 0.00 0.48 0.00 0.00 55.95 56.40 1i50 s SER 264 Cb 0.00 -1.96 -0.09 0.00 0.10 0.00 0.00 66.02 64.07 1i50 s SER 264 CO 0.00 0.16 1.34 -0.94 0.98 0.00 0.00 173.24 174.78 1i50 s SER 265 N -2.55 6.85 -0.45 7.02 1.04 -1.26 -4.23 113.70 120.13 1i50 s SER 265 Ca 0.35 2.42 -0.39 0.00 0.48 0.00 0.00 55.95 58.81 1i50 s SER 265 Cb -0.13 -2.61 0.06 0.00 0.10 0.00 0.00 66.02 63.44 1i50 s SER 265 CO 0.28 -0.57 0.66 0.00 0.98 0.00 0.00 173.24 174.59 1i50 n ALA 266 N 2.83 -2.27 -2.10 5.32 0.00 -1.26 -4.81 120.51 118.23 1i50 n ALA 266 Ca 0.07 0.32 -0.43 0.00 0.00 0.00 0.00 53.44 53.40 1i50 n ALA 266 Cb 0.42 -2.18 -0.03 0.00 0.00 0.00 0.00 19.45 17.67 1i50 n ALA 266 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1i50 s ARG 267 N -2.45 3.75 0.31 0.00 0.52 -1.26 -4.93 118.95 114.90 1i50 s ARG 267 Ca 0.38 1.64 0.05 0.00 -0.52 0.00 0.00 55.73 57.28 1i50 s ARG 267 Cb -0.04 -4.05 -0.02 0.00 0.52 0.00 0.00 34.95 31.36 1i50 s ARG 267 CO 0.87 -1.35 0.45 -0.08 0.02 0.00 0.00 175.30 175.22 1i50 s THR 268 N 5.35 4.52 -0.13 0.02 -1.32 -1.07 -4.66 115.64 118.37 1i50 s THR 268 Ca 0.72 -0.92 0.00 0.00 -1.21 0.00 0.00 61.69 60.29 1i50 s THR 268 Cb -0.25 -3.59 0.02 0.00 -1.51 0.00 0.00 72.50 67.17 1i50 s THR 268 CO 0.30 -0.25 -0.12 -0.63 -2.21 0.00 0.00 174.62 171.70 1i50 s ILE 269 N -2.15 1.38 0.13 5.08 1.01 -1.26 -0.31 121.20 125.08 1i50 s ILE 269 Ca 0.41 -0.53 0.07 0.00 0.00 0.00 0.00 60.65 60.61 1i50 s ILE 269 Cb -0.09 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 1i50 s ILE 269 CO 0.31 0.43 -0.16 -0.54 0.00 0.00 0.00 174.94 174.97 1i50 s LYS 270 N 1.43 1.12 0.17 2.79 1.02 -0.29 -2.47 119.74 123.50 1i50 s LYS 270 Ca 0.02 -1.28 0.10 0.00 0.02 0.00 0.00 55.97 54.84 1i50 s LYS 270 Cb -0.13 -1.12 -0.04 0.00 -0.52 0.00 0.00 37.83 36.02 1i50 s LYS 270 CO -0.08 0.23 -0.20 0.00 -0.92 0.00 0.00 175.35 174.38 1i50 s ALA 271 N -1.94 2.64 -0.40 5.17 0.00 0.05 -0.20 121.76 127.08 1i50 s ALA 271 Ca 0.11 -1.52 -0.07 0.00 0.00 0.00 0.00 51.96 50.47 1i50 s ALA 271 Cb -0.06 -0.49 0.08 0.00 0.00 0.00 0.00 23.12 22.64 1i50 s ALA 271 CO 0.04 0.49 0.21 0.99 0.00 0.00 0.00 175.76 177.49 1i50 s THR 272 N -1.49 3.87 0.33 0.00 2.01 0.38 -1.28 115.64 119.47 1i50 s THR 272 Ca 0.20 -1.50 -0.07 0.00 0.31 0.00 0.00 61.69 60.63 1i50 s THR 272 Cb -0.09 -3.39 -0.06 0.00 0.01 0.00 0.00 72.50 68.97 1i50 s THR 272 CO 0.11 -0.47 0.63 -0.76 -0.69 0.00 0.00 174.62 173.43 1i50 s LEU 273 N 1.35 3.98 0.26 4.42 1.43 -1.26 -3.86 118.68 124.99 1i50 s LEU 273 Ca 0.03 0.85 -0.30 0.00 -1.03 0.00 0.00 54.13 53.68 1i50 s LEU 273 Cb -0.22 -3.69 -0.09 0.00 0.03 0.00 0.00 46.19 42.21 1i50 s LEU 273 CO 0.01 -0.27 1.05 -2.16 0.23 0.00 0.00 176.35 175.21 1i50 s PRO 274 N -3.66 4.71 0.00 1.29 0.04 -1.26 -3.19 135.00 132.93 1i50 s PRO 274 Ca 0.46 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.20 1i50 s PRO 274 Cb -0.11 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1i50 s PRO 274 CO 0.30 0.30 0.00 0.66 0.04 0.00 0.00 177.00 178.31 1i50 n TYR 275 N 1.37 0.00 -3.93 0.56 4.02 -1.26 -5.01 117.16 112.91 1i50 n TYR 275 Ca -0.01 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.53 1i50 n TYR 275 Cb 0.46 -0.27 -0.14 0.00 -0.02 0.00 0.00 39.34 39.36 1i50 n TYR 275 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1i50 s ILE 276 N -2.35 3.12 0.00 -0.72 1.01 -1.19 -4.59 121.20 116.47 1i50 s ILE 276 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.88 1i50 s ILE 276 Cb 0.00 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 39.97 1i50 s ILE 276 CO 0.00 0.31 1.61 0.29 0.00 0.00 0.00 174.94 177.14 1i50 n LYS 277 N 4.74 0.95 -3.65 2.79 4.01 -0.22 -4.73 118.16 122.05 1i50 n LYS 277 Ca -0.17 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.60 1i50 n LYS 277 Cb 0.49 -1.02 -0.07 0.00 -0.51 0.00 0.00 35.03 33.92 1i50 n LYS 277 CO 0.00 0.00 0.00 -1.14 -1.11 0.00 0.00 177.40 175.15 1i50 s GLN 278 N 0.08 0.21 0.29 1.97 0.74 -1.26 -5.06 119.66 116.62 1i50 s GLN 278 Ca 0.00 0.31 -0.30 0.00 0.05 0.00 0.00 55.36 55.42 1i50 s GLN 278 Cb 0.00 0.07 -0.10 0.00 1.10 0.00 0.00 33.01 34.08 1i50 s GLN 278 CO 0.00 -0.03 1.45 -0.51 -0.55 0.00 0.00 175.29 175.64 1i50 s ASP 279 N 0.66 6.59 -0.20 6.67 1.01 -1.26 -4.82 116.67 125.31 1i50 s ASP 279 Ca -0.02 2.77 -0.06 0.00 0.71 0.00 0.00 52.55 55.95 1i50 s ASP 279 Cb -0.04 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.23 1i50 s ASP 279 CO -0.12 -0.73 0.03 -0.63 0.21 0.00 0.00 175.17 173.93 1i50 s ILE 280 N -0.35 4.22 0.22 0.77 1.01 -0.40 -4.86 121.20 121.81 1i50 s ILE 280 Ca 0.57 -0.22 -0.32 0.00 0.00 0.00 0.00 60.65 60.69 1i50 s ILE 280 Cb -0.43 -2.92 -0.14 0.00 0.01 0.00 0.00 42.46 38.98 1i50 s ILE 280 CO 0.48 0.42 1.33 -0.81 0.00 0.00 0.00 174.94 176.36 1i50 n PRO 281 N 4.18 1.78 -0.01 2.79 -0.04 -1.26 -0.77 135.00 141.67 1i50 n PRO 281 Ca -0.17 0.63 0.07 0.00 -0.04 0.00 0.00 63.50 64.00 1i50 n PRO 281 Cb 0.52 -2.24 0.47 0.00 -0.04 0.00 0.00 33.50 32.21 1i50 n PRO 281 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 1i50 h ILE 282 N 2.92 1.02 -0.91 0.52 3.07 -1.83 -1.98 117.51 120.32 1i50 h ILE 282 Ca -0.44 -0.16 -0.01 0.00 1.55 0.00 0.00 64.86 65.80 1i50 h ILE 282 Cb 1.30 0.52 -0.04 0.00 -0.27 0.00 0.00 36.82 38.32 1i50 h ILE 282 CO 0.74 0.08 0.52 0.58 -1.05 0.00 0.00 178.15 179.02 1i50 h VAL 283 N 0.46 1.26 -0.60 0.16 2.07 -1.86 -2.26 116.25 115.47 1i50 h VAL 283 Ca 0.19 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 1i50 h VAL 283 Cb 0.17 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.92 1i50 h VAL 283 CO -0.05 0.28 0.19 0.40 0.02 0.00 0.00 177.57 178.42 1i50 h ILE 284 N 1.27 1.23 -0.33 4.57 2.04 -1.68 -2.16 117.51 122.44 1i50 h ILE 284 Ca 0.32 -0.78 -0.08 0.00 1.00 0.00 0.00 64.86 65.32 1i50 h ILE 284 Cb -0.01 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1i50 h ILE 284 CO -0.06 0.30 -0.15 0.40 0.00 0.00 0.00 178.15 178.65 1i50 h ILE 285 N 0.88 1.25 -0.62 -0.67 2.04 -1.36 -0.72 117.51 118.31 1i50 h ILE 285 Ca 0.20 -1.13 -0.08 0.00 1.00 0.00 0.00 64.86 64.85 1i50 h ILE 285 Cb 0.25 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1i50 h ILE 285 CO -0.01 0.37 0.08 -0.26 0.00 0.00 0.00 178.15 178.34 1i50 h PHE 286 N 0.54 1.09 -0.06 1.37 -1.00 -1.01 -1.83 116.94 116.04 1i50 h PHE 286 Ca 0.09 -0.15 -0.17 0.00 2.81 0.00 0.00 57.97 60.55 1i50 h PHE 286 Cb 0.57 -0.30 -0.01 0.00 3.61 0.00 0.00 35.95 39.82 1i50 h PHE 286 CO 0.02 0.93 -0.70 0.00 -1.61 0.00 0.00 178.31 176.95 1i50 h ARG 287 N 0.96 0.29 0.00 1.51 3.08 -1.12 -0.65 114.38 118.46 1i50 h ARG 287 Ca 0.19 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1i50 h ARG 287 Cb 0.44 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 1i50 h ARG 287 CO 0.01 0.88 -0.01 0.00 -1.07 0.00 0.00 179.97 179.78 1i50 h ALA 288 N 1.06 1.02 -0.01 0.04 0.00 -0.78 -1.01 119.26 119.59 1i50 h ALA 288 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1i50 h ALA 288 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1i50 h ALA 288 CO 0.11 0.01 -0.48 1.28 0.00 0.00 0.00 179.25 180.18 1i50 n LEU 289 N -3.13 1.20 0.00 0.00 4.77 -0.72 -4.83 117.00 114.28 1i50 n LEU 289 Ca -0.01 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 1i50 n LEU 289 Cb 0.19 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1i50 n LEU 289 CO 0.24 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1i50 n GLY 290 N 1.42 0.89 3.20 -0.72 0.00 -0.38 -4.82 105.19 104.77 1i50 n GLY 290 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1i50 n GLY 290 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i50 s ILE 291 N -2.00 3.89 -0.18 -0.61 1.01 -0.31 -4.98 121.20 118.02 1i50 s ILE 291 Ca 0.00 -1.70 -0.15 0.00 0.00 0.00 0.00 60.65 58.80 1i50 s ILE 291 Cb 0.00 -3.50 -0.10 0.00 0.01 0.00 0.00 42.46 38.87 1i50 s ILE 291 CO 0.00 -0.62 -0.05 -0.38 0.00 0.00 0.00 174.94 173.90 1i50 n ILE 292 N 4.81 1.47 -1.99 2.92 2.08 -1.26 -3.04 119.36 124.34 1i50 n ILE 292 Ca -0.07 0.08 -0.41 0.00 0.56 0.00 0.00 62.75 62.90 1i50 n ILE 292 Cb 0.42 -2.22 -0.02 0.00 -0.75 0.00 0.00 39.64 37.06 1i50 n ILE 292 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1i50 s PRO 293 N -2.35 4.25 0.21 0.38 0.04 -1.26 -4.89 135.00 131.39 1i50 s PRO 293 Ca -0.23 2.33 -0.18 0.00 0.04 0.00 0.00 61.00 62.96 1i50 s PRO 293 Cb 0.04 -3.10 0.19 0.00 0.04 0.00 0.00 34.50 31.68 1i50 s PRO 293 CO 0.39 -0.43 1.59 -0.44 0.04 0.00 0.00 177.00 178.15 1i50 h ASP 294 N 4.96 -1.03 -0.41 6.66 3.45 -1.99 0.19 116.42 128.23 1i50 h ASP 294 Ca -0.46 0.23 0.08 0.00 0.43 0.00 0.00 57.03 57.31 1i50 h ASP 294 Cb 1.22 0.56 -0.09 0.00 -0.56 0.00 0.00 39.33 40.45 1i50 h ASP 294 CO 0.77 -0.28 -0.35 1.23 -1.57 0.00 0.00 179.24 179.04 1i50 h GLY 295 N -0.09 -0.30 1.00 2.75 0.00 -2.00 0.04 103.07 104.47 1i50 h GLY 295 Ca 0.28 0.44 0.04 0.00 0.00 0.00 0.00 47.33 48.09 1i50 h GLY 295 CO -0.74 -0.20 0.58 0.83 0.00 0.00 0.00 176.54 177.01 1i50 h GLU 296 N -0.26 1.06 0.07 4.80 5.08 -1.40 -2.55 114.58 121.38 1i50 h GLU 296 Ca 0.17 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1i50 h GLU 296 Cb 0.55 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1i50 h GLU 296 CO -0.56 0.70 -0.03 0.82 -1.00 0.00 0.00 179.01 178.94 1i50 h ILE 297 N 1.09 1.17 -0.89 3.13 2.04 0.28 -3.06 117.51 121.27 1i50 h ILE 297 Ca 0.35 -0.88 0.11 0.00 1.00 0.00 0.00 64.86 65.45 1i50 h ILE 297 Cb 0.04 1.73 -0.07 0.00 -0.74 0.00 0.00 36.82 37.78 1i50 h ILE 297 CO -0.11 0.22 0.57 -0.07 0.00 0.00 0.00 178.15 178.76 1i50 h LEU 298 N -0.50 0.76 -1.83 1.44 3.38 -0.95 -0.28 115.31 117.34 1i50 h LEU 298 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1i50 h LEU 298 Cb 0.43 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1i50 h LEU 298 CO 0.02 0.43 0.11 -0.08 0.09 0.00 0.00 178.44 179.00 1i50 h GLU 299 N 0.83 0.22 0.00 1.13 4.81 -1.39 0.57 114.58 120.75 1i50 h GLU 299 Ca 0.43 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 1i50 h GLU 299 Cb 0.51 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1i50 h GLU 299 CO -0.19 0.15 0.00 0.45 -0.73 0.00 0.00 179.01 178.69 1i50 h HIS 300 N 0.23 0.00 0.00 0.92 3.86 -0.95 -3.35 115.15 115.87 1i50 h HIS 300 Ca 0.06 0.00 -0.39 0.00 -1.16 0.00 0.00 60.37 58.89 1i50 h HIS 300 Cb -0.02 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.39 1i50 h HIS 300 CO 0.00 0.00 -2.30 -0.89 0.86 0.00 0.00 177.93 175.60 1i50 n ILE 301 N -2.55 1.27 -3.65 2.45 5.41 0.03 -4.17 119.36 118.16 1i50 n ILE 301 Ca 0.03 -0.34 -0.39 0.00 1.00 0.00 0.00 62.75 63.05 1i50 n ILE 301 Cb 0.35 -1.76 -0.10 0.00 -0.71 0.00 0.00 39.64 37.42 1i50 n ILE 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1i50 n TYR 303 N 4.84 1.23 -3.57 0.00 4.02 -1.26 -4.52 117.16 117.89 1i50 n TYR 303 Ca -0.09 -1.81 -0.01 0.00 -0.01 0.00 0.00 57.90 55.98 1i50 n TYR 303 Cb 0.42 -1.11 -0.05 0.00 -0.02 0.00 0.00 39.34 38.59 1i50 n TYR 303 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1i50 s ASP 304 N 0.62 -0.90 0.41 7.72 -1.08 -1.26 -4.86 116.67 117.32 1i50 s ASP 304 Ca 0.40 1.27 0.24 0.00 -0.52 0.00 0.00 52.55 53.94 1i50 s ASP 304 Cb 0.27 1.91 0.49 0.00 -1.46 0.00 0.00 42.92 44.13 1i50 s ASP 304 CO -0.07 -0.18 1.66 0.58 0.52 0.00 0.00 175.17 177.68 1i50 h VAL 305 N 5.65 0.00 0.00 1.11 2.07 -1.98 -3.25 116.25 119.86 1i50 h VAL 305 Ca -0.19 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.44 1i50 h VAL 305 Cb 1.13 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 1i50 h VAL 305 CO 0.11 0.00 -0.51 0.78 0.02 0.00 0.00 177.57 177.97 1i50 h ASN 306 N 0.00 0.00 0.00 0.57 2.35 -1.98 -3.41 115.58 113.11 1i50 h ASN 306 Ca 0.00 -0.10 -0.56 0.00 -0.55 0.00 0.00 56.30 55.09 1i50 h ASN 306 Cb 0.92 0.00 0.05 0.00 0.05 0.00 0.00 38.32 39.34 1i50 h ASN 306 CO 0.00 0.05 2.21 -0.67 -1.65 0.00 0.00 177.43 177.37 1i50 n ASP 307 N -2.41 2.74 0.25 5.81 -0.08 -1.23 -4.68 116.55 116.95 1i50 n ASP 307 Ca 0.03 -2.56 0.16 0.00 -1.51 0.00 0.00 54.79 50.92 1i50 n ASP 307 Cb 0.48 -1.02 0.86 0.00 2.34 0.00 0.00 41.12 43.78 1i50 n ASP 307 CO 0.00 0.00 0.00 4.11 0.12 0.00 0.00 177.20 181.43 1i50 h TRP 308 N 7.79 0.00 -0.38 -0.67 5.08 -1.90 -2.51 115.95 123.36 1i50 h TRP 308 Ca 0.40 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 60.27 1i50 h TRP 308 Cb 0.54 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.69 1i50 h TRP 308 CO 1.40 0.00 -0.17 1.96 -1.28 0.00 0.00 178.44 180.36 1i50 h GLN 309 N 0.00 0.79 -0.18 0.12 4.20 -1.99 -0.91 115.11 117.13 1i50 h GLN 309 Ca 0.05 -0.34 -0.09 0.00 0.06 0.00 0.00 58.65 58.33 1i50 h GLN 309 Cb 0.28 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 1i50 h GLN 309 CO -0.00 0.96 -0.23 1.98 -0.67 0.00 0.00 178.83 180.87 1i50 h MET 310 N 0.59 0.48 -0.32 1.46 4.05 -1.86 -2.55 114.93 116.78 1i50 h MET 310 Ca 0.09 -0.27 -0.02 0.00 -0.28 0.00 0.00 59.70 59.22 1i50 h MET 310 Cb 0.71 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.51 1i50 h MET 310 CO 0.05 0.86 0.13 -0.07 0.23 0.00 0.00 176.91 178.11 1i50 h LEU 311 N 0.14 0.40 -0.95 3.39 3.38 -1.49 -0.31 115.31 119.87 1i50 h LEU 311 Ca 0.02 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1i50 h LEU 311 Cb 0.79 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1i50 h LEU 311 CO 0.06 0.37 0.06 -0.08 0.09 0.00 0.00 178.44 178.94 1i50 h GLU 312 N 0.45 0.83 0.00 1.13 4.57 -1.06 -2.38 114.58 118.12 1i50 h GLU 312 Ca 0.11 -0.20 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 1i50 h GLU 312 Cb 0.10 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.58 1i50 h GLU 312 CO -0.01 0.79 -0.10 0.52 -1.18 0.00 0.00 179.01 179.03 1i50 h MET 313 N 0.78 0.00 0.00 1.92 2.86 -0.62 -2.61 114.93 117.26 1i50 h MET 313 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1i50 h MET 313 Cb 0.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1i50 h MET 313 CO 0.01 0.10 -0.89 1.28 1.06 0.00 0.00 176.91 178.47 1i50 n LEU 314 N -3.66 0.65 -0.24 1.22 4.77 -0.92 -4.39 117.00 114.43 1i50 n LEU 314 Ca -0.02 -0.08 0.03 0.00 -0.03 0.00 0.00 56.01 55.91 1i50 n LEU 314 Cb 0.21 -0.12 0.13 0.00 -2.33 0.00 0.00 43.42 41.31 1i50 n LEU 314 CO 0.29 0.09 0.81 0.50 -1.33 0.00 0.00 177.39 177.75 1i50 h LYS 315 N 0.00 0.08 0.00 3.23 3.64 -1.19 0.71 116.57 123.04 1i50 h LYS 315 Ca 0.00 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1i50 h LYS 315 Cb 0.64 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1i50 h LYS 315 CO 0.00 0.05 -0.12 -1.00 -2.27 0.00 0.00 179.45 176.11 1i50 h PRO 316 N 0.09 0.00 -0.08 1.90 0.13 -1.78 -2.69 132.00 129.57 1i50 h PRO 316 Ca 0.37 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.48 1i50 h PRO 316 Cb 0.62 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.75 1i50 h PRO 316 CO -0.63 0.12 -0.02 0.00 -0.23 0.00 0.00 178.00 177.24 1i50 h VAL 318 N -0.17 0.84 -0.91 0.00 2.07 -1.05 -1.75 116.25 115.28 1i50 h VAL 318 Ca 0.02 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.53 1i50 h VAL 318 Cb 0.41 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 1i50 h VAL 318 CO 0.01 0.03 0.59 -0.33 0.02 0.00 0.00 177.57 177.88 1i50 h GLU 319 N 0.15 1.11 0.00 1.57 5.08 -1.42 -0.73 114.58 120.33 1i50 h GLU 319 Ca 0.14 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1i50 h GLU 319 Cb 0.15 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1i50 h GLU 319 CO -0.19 0.73 0.00 -3.47 -1.00 0.00 0.00 179.01 175.08 1i50 n ASP 320 N -4.51 0.00 0.00 1.42 2.03 -0.37 -1.97 116.55 113.15 1i50 n ASP 320 Ca 0.12 -0.44 0.00 0.00 0.52 0.00 0.00 54.79 54.99 1i50 n ASP 320 Cb 0.09 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 1i50 n ASP 320 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1i50 n GLY 321 N -0.18 0.06 0.45 0.27 0.00 -0.32 -4.88 105.19 100.57 1i50 n GLY 321 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 1i50 n GLY 321 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1i50 h PHE 322 N 0.00 -1.50 -1.09 1.61 3.57 -0.95 -2.60 116.94 115.98 1i50 h PHE 322 Ca 0.00 0.06 0.42 0.00 3.53 0.00 0.00 57.97 61.98 1i50 h PHE 322 Cb 0.54 0.68 -0.16 0.00 2.79 0.00 0.00 35.95 39.80 1i50 h PHE 322 CO 0.00 -0.52 0.64 0.28 -2.23 0.00 0.00 178.31 176.49 1i50 n VAL 323 N -5.43 -0.33 -3.28 1.41 0.31 -1.26 -4.11 118.33 105.63 1i50 n VAL 323 Ca -0.05 1.84 -0.41 0.00 -0.01 0.00 0.00 64.34 65.71 1i50 n VAL 323 Cb 0.37 -3.00 -0.08 0.00 -0.91 0.00 0.00 33.84 30.22 1i50 n VAL 323 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1i50 s ILE 324 N -5.33 5.06 -0.11 2.52 1.01 -0.98 -4.93 121.20 118.43 1i50 s ILE 324 Ca -0.08 0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.95 1i50 s ILE 324 Cb 0.31 -3.91 0.06 0.00 0.01 0.00 0.00 42.46 38.93 1i50 s ILE 324 CO 0.75 -0.14 1.04 1.67 0.00 0.00 0.00 174.94 178.27 1i50 n GLN 325 N 5.63 2.88 -3.58 2.79 -0.06 -1.26 -4.99 117.38 118.79 1i50 n GLN 325 Ca -0.06 -1.64 -0.11 0.00 -2.00 0.00 0.00 57.00 53.20 1i50 n GLN 325 Cb 0.49 -1.07 -0.04 0.00 -4.06 0.00 0.00 30.24 25.57 1i50 n GLN 325 CO 0.00 0.00 0.00 0.16 -0.20 0.00 0.00 177.06 177.02 1i50 s ASP 326 N -1.12 -0.32 0.21 1.69 3.84 -1.26 -5.00 116.67 114.71 1i50 s ASP 326 Ca 0.05 -0.25 -0.09 0.00 -0.00 0.00 0.00 52.55 52.26 1i50 s ASP 326 Cb 0.03 0.51 0.28 0.00 -1.38 0.00 0.00 42.92 42.37 1i50 s ASP 326 CO 0.02 -0.89 1.74 -0.09 -0.00 0.00 0.00 175.17 175.95 1i50 h ARG 327 N 2.27 0.37 -0.57 2.11 2.43 -1.95 -1.63 114.38 117.39 1i50 h ARG 327 Ca -0.34 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 58.75 1i50 h ARG 327 Cb 1.27 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 1i50 h ARG 327 CO 0.44 0.24 0.11 0.93 -1.51 0.00 0.00 179.97 180.18 1i50 h GLU 328 N 0.38 0.94 0.00 0.20 5.08 -1.95 0.30 114.58 119.53 1i50 h GLU 328 Ca 0.31 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1i50 h GLU 328 Cb 0.40 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1i50 h GLU 328 CO -0.33 0.89 -0.27 1.15 -1.00 0.00 0.00 179.01 179.45 1i50 h THR 329 N 0.84 0.83 -0.09 1.13 2.02 -1.92 0.14 112.91 115.85 1i50 h THR 329 Ca 0.18 -1.08 -0.09 0.00 0.77 0.00 0.00 66.41 66.18 1i50 h THR 329 Cb 0.39 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 1i50 h THR 329 CO 0.01 0.26 -0.31 0.00 0.37 0.00 0.00 175.52 175.85 1i50 h ALA 330 N 1.73 0.16 -0.53 6.16 0.00 -0.67 -1.47 119.26 124.64 1i50 h ALA 330 Ca -0.00 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 1i50 h ALA 330 Cb 0.63 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1i50 h ALA 330 CO 0.03 0.20 0.02 -0.07 0.00 0.00 0.00 179.25 179.44 1i50 h LEU 331 N -0.08 0.85 -0.57 0.00 3.38 -0.45 -2.47 115.31 115.97 1i50 h LEU 331 Ca -0.01 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.62 1i50 h LEU 331 Cb 0.94 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1i50 h LEU 331 CO 0.07 0.90 -0.26 -0.78 0.09 0.00 0.00 178.44 178.45 1i50 h ASP 332 N 0.82 0.89 -0.31 -0.43 1.82 -0.73 0.28 116.42 118.76 1i50 h ASP 332 Ca 0.16 -0.35 0.07 0.00 -0.39 0.00 0.00 57.03 56.52 1i50 h ASP 332 Cb 0.46 -0.25 -0.07 0.00 0.68 0.00 0.00 39.33 40.16 1i50 h ASP 332 CO 0.02 1.10 -0.12 0.15 -1.61 0.00 0.00 179.24 178.78 1i50 h PHE 333 N 0.74 -0.29 0.21 0.28 3.57 -0.96 0.16 116.94 120.64 1i50 h PHE 333 Ca 0.09 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1i50 h PHE 333 Cb 0.81 0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1i50 h PHE 333 CO 0.05 -0.19 -0.10 0.82 -2.23 0.00 0.00 178.31 176.65 1i50 h ILE 334 N -0.07 0.88 -0.98 1.41 2.04 -1.21 -3.21 117.51 116.36 1i50 h ILE 334 Ca 0.16 -0.72 0.23 0.00 1.00 0.00 0.00 64.86 65.53 1i50 h ILE 334 Cb 0.31 1.28 -0.08 0.00 -0.74 0.00 0.00 36.82 37.59 1i50 h ILE 334 CO -0.36 0.15 0.64 1.23 0.00 0.00 0.00 178.15 179.81 1i50 h GLY 335 N -0.65 1.13 2.00 5.37 0.00 -0.13 0.73 103.07 111.52 1i50 h GLY 335 Ca -0.03 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 1i50 h GLY 335 CO 0.05 -0.07 -0.19 3.21 0.00 0.00 0.00 176.54 179.54 1i50 h ARG 336 N 0.44 0.00 -0.50 4.80 3.08 -0.98 -2.03 114.38 119.19 1i50 h ARG 336 Ca 0.54 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.59 1i50 h ARG 336 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1i50 h ARG 336 CO -0.25 0.19 0.00 0.54 -1.07 0.00 0.00 179.97 179.38 1i50 n ARG 337 N -3.43 2.21 -0.15 0.04 5.12 0.24 -3.67 116.66 117.02 1i50 n ARG 337 Ca -0.00 -1.44 0.00 0.00 -1.93 0.00 0.00 57.85 54.48 1i50 n ARG 337 Cb 0.38 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.20 1i50 n ARG 337 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1i50 n GLY 338 N 0.87 -1.69 3.18 -0.13 0.00 -0.82 -1.06 105.19 105.54 1i50 n GLY 338 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 1i50 n GLY 338 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i50 s THR 339 N 0.00 0.82 0.87 2.61 2.01 -0.86 -4.99 115.64 116.09 1i50 s THR 339 Ca 0.00 -1.91 -0.13 0.00 0.31 0.00 0.00 61.69 59.96 1i50 s THR 339 Cb 0.00 -1.65 0.12 0.00 0.01 0.00 0.00 72.50 70.98 1i50 s THR 339 CO 0.00 -0.80 1.22 0.00 -0.69 0.00 0.00 174.62 174.35 1i50 s ALA 340 N -3.38 2.43 -0.54 7.40 0.00 -1.26 -4.91 121.76 121.51 1i50 s ALA 340 Ca 0.12 -0.81 0.24 0.00 0.00 0.00 0.00 51.96 51.50 1i50 s ALA 340 Cb 0.03 -2.91 0.95 0.00 0.00 0.00 0.00 23.12 21.19 1i50 s ALA 340 CO -0.03 -1.99 1.72 -0.11 0.00 0.00 0.00 175.76 175.35 1i50 n LEU 341 N -3.51 0.67 -1.27 0.00 7.94 -1.26 -3.34 117.00 116.22 1i50 n LEU 341 Ca 0.10 0.65 0.12 0.00 -1.11 0.00 0.00 56.01 55.77 1i50 n LEU 341 Cb 0.60 -0.53 0.28 0.00 0.53 0.00 0.00 43.42 44.30 1i50 n LEU 341 CO 0.53 -0.49 0.74 0.61 -1.11 0.00 0.00 177.39 177.68 1i50 n GLY 342 N 0.22 2.17 3.79 -3.96 0.00 -1.26 -4.97 105.19 101.17 1i50 n GLY 342 Ca 0.03 -0.77 -0.38 0.00 0.00 0.00 0.00 46.02 44.89 1i50 n GLY 342 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i50 s ILE 343 N -1.22 4.47 0.26 -0.61 1.01 -1.21 -5.04 121.20 118.86 1i50 s ILE 343 Ca 0.45 1.52 -0.30 0.00 0.00 0.00 0.00 60.65 62.32 1i50 s ILE 343 Cb 0.24 -4.03 -0.09 0.00 0.01 0.00 0.00 42.46 38.60 1i50 s ILE 343 CO 0.33 0.44 1.15 -0.54 0.00 0.00 0.00 174.94 176.32 1i50 s LYS 344 N -1.38 4.56 0.13 2.79 1.02 -1.26 -4.84 119.74 120.76 1i50 s LYS 344 Ca 0.37 1.87 -0.20 0.00 0.02 0.00 0.00 55.97 58.03 1i50 s LYS 344 Cb -0.21 -3.19 0.00 0.00 -0.52 0.00 0.00 37.83 33.91 1i50 s LYS 344 CO 0.24 0.07 1.12 1.17 -0.92 0.00 0.00 175.35 177.03 1i50 n LYS 345 N 1.56 -0.28 0.03 1.68 4.81 -1.26 -0.18 118.16 124.51 1i50 n LYS 345 Ca 0.01 1.10 -0.11 0.00 -0.87 0.00 0.00 58.31 58.44 1i50 n LYS 345 Cb 0.44 -1.62 -0.04 0.00 0.02 0.00 0.00 35.03 33.83 1i50 n LYS 345 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1i50 h GLU 346 N 0.00 -0.37 -0.78 1.64 5.08 -1.98 0.23 114.58 118.39 1i50 h GLU 346 Ca 0.15 0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.70 1i50 h GLU 346 Cb 0.33 0.09 -0.11 0.00 0.50 0.00 0.00 28.75 29.56 1i50 h GLU 346 CO -0.69 -0.25 0.28 0.87 -1.00 0.00 0.00 179.01 178.22 1i50 h LYS 347 N -0.39 0.36 0.83 2.33 1.57 -0.95 0.24 116.57 120.56 1i50 h LYS 347 Ca 0.08 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1i50 h LYS 347 Cb 0.51 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.75 1i50 h LYS 347 CO -0.30 0.24 -0.40 0.00 -0.57 0.00 0.00 179.45 178.42 1i50 h ARG 348 N 0.37 -1.07 -1.03 3.15 3.08 0.27 -0.32 114.38 118.82 1i50 h ARG 348 Ca 0.45 0.07 0.26 0.00 0.07 0.00 0.00 59.98 60.84 1i50 h ARG 348 Cb 0.75 0.24 -0.09 0.00 0.08 0.00 0.00 29.97 30.96 1i50 h ARG 348 CO -0.47 -0.71 0.67 0.82 -1.07 0.00 0.00 179.97 179.21 1i50 h ILE 349 N -1.20 0.53 -0.25 2.04 2.04 -0.08 0.20 117.51 120.79 1i50 h ILE 349 Ca -0.11 -0.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.55 1i50 h ILE 349 Cb 0.85 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1i50 h ILE 349 CO 0.19 0.07 -0.09 -0.61 0.00 0.00 0.00 178.15 177.70 1i50 h GLN 350 N 0.37 0.50 -0.85 2.37 5.75 -0.27 -2.16 115.11 120.83 1i50 h GLN 350 Ca 0.58 -0.21 0.09 0.00 -0.15 0.00 0.00 58.65 58.96 1i50 h GLN 350 Cb 1.52 -0.02 -0.07 0.00 1.07 0.00 0.00 27.48 29.98 1i50 h GLN 350 CO -0.27 0.75 0.51 -0.92 -2.65 0.00 0.00 178.83 176.25 1i50 h TYR 351 N 0.24 0.93 -0.09 3.99 3.20 0.12 -1.33 116.97 124.02 1i50 h TYR 351 Ca 0.06 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.84 1i50 h TYR 351 Cb 0.58 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 1i50 h TYR 351 CO 0.06 0.41 -0.49 0.00 -1.64 0.00 0.00 178.16 176.50 1i50 h ALA 352 N 1.45 1.01 -0.25 1.82 0.00 -1.19 -2.10 119.26 120.00 1i50 h ALA 352 Ca 0.40 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1i50 h ALA 352 Cb 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1i50 h ALA 352 CO -0.22 0.65 -0.17 0.87 0.00 0.00 0.00 179.25 180.38 1i50 h LYS 353 N 0.18 0.55 -0.50 0.00 1.57 -0.66 -2.19 116.57 115.51 1i50 h LYS 353 Ca 0.01 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.49 1i50 h LYS 353 Cb 0.93 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 1i50 h LYS 353 CO 0.07 0.83 0.14 -0.44 -0.57 0.00 0.00 179.45 179.49 1i50 h ASP 354 N 0.26 0.69 -0.19 0.86 3.32 -1.20 -1.68 116.42 118.49 1i50 h ASP 354 Ca 0.05 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 1i50 h ASP 354 Cb 0.69 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1i50 h ASP 354 CO 0.05 0.67 -0.08 0.40 -1.72 0.00 0.00 179.24 178.55 1i50 h ILE 355 N 0.73 1.31 0.00 0.35 2.04 -1.30 -0.51 117.51 120.13 1i50 h ILE 355 Ca 0.17 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.90 1i50 h ILE 355 Cb 0.24 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1i50 h ILE 355 CO -0.01 0.34 0.00 -0.07 0.00 0.00 0.00 178.15 178.41 1i50 h LEU 356 N 0.08 0.00 0.00 1.44 3.38 -1.24 0.16 115.31 119.13 1i50 h LEU 356 Ca 0.04 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1i50 h LEU 356 Cb 0.56 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1i50 h LEU 356 CO 0.03 0.00 -1.70 1.67 0.09 0.00 0.00 178.44 178.53 1i50 n GLN 357 N -2.51 0.64 0.00 1.13 7.27 -0.65 -4.29 117.38 118.98 1i50 n GLN 357 Ca 0.02 -0.01 0.00 0.00 0.07 0.00 0.00 57.00 57.08 1i50 n GLN 357 Cb 0.25 -1.65 0.00 0.00 2.41 0.00 0.00 30.24 31.25 1i50 n GLN 357 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1i50 n LYS 358 N -2.56 2.29 -0.01 3.69 5.02 -0.23 -4.26 118.16 122.10 1i50 n LYS 358 Ca -0.09 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.31 1i50 n LYS 358 Cb 0.71 -0.78 -0.15 0.00 -0.02 0.00 0.00 35.03 34.79 1i50 n LYS 358 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1i50 n GLU 359 N -1.25 0.38 -3.51 1.97 -0.58 0.40 -4.51 120.64 113.54 1i50 n GLU 359 Ca 0.00 -0.12 -0.38 0.00 -0.42 0.00 0.00 57.16 56.25 1i50 n GLU 359 Cb 0.23 -1.51 -0.09 0.00 -0.57 0.00 0.00 31.44 29.50 1i50 n GLU 359 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1i50 s PHE 360 N -3.30 3.30 -1.05 -0.32 5.36 -0.24 -4.56 117.98 117.18 1i50 s PHE 360 Ca -0.01 0.37 -0.26 0.00 -0.96 0.00 0.00 56.93 56.06 1i50 s PHE 360 Cb 0.15 -2.43 0.04 0.00 -0.34 0.00 0.00 43.02 40.44 1i50 s PHE 360 CO 0.89 -0.05 0.50 1.28 -1.46 0.00 0.00 175.22 176.38 1i50 n LEU 361 N 4.68 -0.16 0.29 6.12 4.77 -1.26 -4.74 117.00 126.70 1i50 n LEU 361 Ca -0.11 -1.09 0.16 0.00 -0.03 0.00 0.00 56.01 54.94 1i50 n LEU 361 Cb 0.51 -1.31 0.91 0.00 -2.33 0.00 0.00 43.42 41.20 1i50 n LEU 361 CO 0.37 0.66 1.07 1.55 -1.33 0.00 0.00 177.39 179.71 1i50 h PRO 362 N -1.67 0.00 0.00 3.23 0.13 -1.79 -2.60 132.00 129.30 1i50 h PRO 362 Ca -0.59 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.49 1i50 h PRO 362 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1i50 h PRO 362 CO 0.45 0.04 -0.22 1.12 -0.23 0.00 0.00 178.00 179.17 1i50 h HIS 363 N 0.00 0.00 0.12 1.56 2.07 -1.87 -3.22 115.15 113.80 1i50 h HIS 363 Ca -0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 1i50 h HIS 363 Cb 0.17 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.15 1i50 h HIS 363 CO 0.00 0.22 -0.06 0.82 -3.07 0.00 0.00 177.93 175.84 1i50 h ILE 364 N 0.00 0.00 -3.35 6.12 2.04 -1.82 -3.48 117.51 117.02 1i50 h ILE 364 Ca -0.00 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.63 1i50 h ILE 364 Cb 0.55 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.50 1i50 h ILE 364 CO 0.03 0.00 -0.04 -0.89 0.00 0.00 0.00 178.15 177.25 1i50 s THR 365 N -2.22 0.06 0.00 -0.27 2.01 -1.22 -5.03 115.64 108.97 1i50 s THR 365 Ca -0.02 -0.53 0.00 0.00 0.31 0.00 0.00 61.69 61.45 1i50 s THR 365 Cb 0.00 -1.17 0.00 0.00 0.01 0.00 0.00 72.50 71.34 1i50 s THR 365 CO 0.07 -0.27 0.30 0.00 -0.69 0.00 0.00 174.62 174.02 1i50 n GLN 366 N -0.25 0.01 0.00 4.92 6.02 -1.26 -4.49 117.38 122.33 1i50 n GLN 366 Ca -0.16 -0.30 0.00 0.00 -0.01 0.00 0.00 57.00 56.54 1i50 n GLN 366 Cb 0.64 -0.78 0.00 0.00 1.02 0.00 0.00 30.24 31.12 1i50 n GLN 366 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1i50 n LEU 367 N -0.09 0.00 0.00 1.08 4.77 -1.26 -4.67 117.00 116.83 1i50 n LEU 367 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1i50 n LEU 367 Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1i50 n LEU 367 CO 0.00 -0.01 0.00 -0.62 -1.33 0.00 0.00 177.39 175.43 1i50 n GLU 368 N 0.00 0.00 -0.01 3.23 1.02 -1.26 -4.71 120.64 118.91 1i50 n GLU 368 Ca 0.00 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1i50 n GLU 368 Cb 0.00 -0.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.99 1i50 n GLU 368 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i50 n GLY 369 N 1.74 0.41 2.54 0.62 0.00 -1.26 -4.16 105.19 105.08 1i50 n GLY 369 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1i50 n GLY 369 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1i50 n PHE 370 N 1.76 2.84 0.11 1.61 3.01 -1.26 -4.79 117.46 120.73 1i50 n PHE 370 Ca 0.00 -3.07 0.10 0.00 1.01 0.00 0.00 57.45 55.49 1i50 n PHE 370 Cb 0.01 -0.17 0.01 0.00 -0.01 0.00 0.00 39.48 39.31 1i50 n PHE 370 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1i50 h GLU 371 N 2.70 0.00 0.00 -1.08 3.07 -1.91 -3.22 114.58 114.14 1i50 h GLU 371 Ca 0.19 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.88 1i50 h GLU 371 Cb 0.97 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.86 1i50 h GLU 371 CO 0.76 0.04 -0.80 0.66 -1.40 0.00 0.00 179.01 178.27 1i50 h SER 372 N 0.00 0.00 -0.50 1.42 4.64 -1.87 -2.06 113.55 115.18 1i50 h SER 372 Ca -0.02 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.18 1i50 h SER 372 Cb 1.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 1i50 h SER 372 CO 0.01 0.80 -0.15 0.03 -0.87 0.00 0.00 176.83 176.64 1i50 h ARG 373 N 0.00 1.00 0.03 4.77 3.08 -1.91 -2.09 114.38 119.25 1i50 h ARG 373 Ca -0.01 -0.40 -0.22 0.00 0.07 0.00 0.00 59.98 59.43 1i50 h ARG 373 Cb 1.57 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.56 1i50 h ARG 373 CO 0.10 1.08 -0.96 0.87 -1.07 0.00 0.00 179.97 179.99 1i50 h LYS 374 N 0.86 0.23 -0.14 0.04 1.57 -1.56 -2.73 116.57 114.83 1i50 h LYS 374 Ca 0.12 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1i50 h LYS 374 Cb 0.73 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 1i50 h LYS 374 CO 0.06 1.03 0.06 0.00 -0.57 0.00 0.00 179.45 180.02 1i50 h ALA 375 N 0.87 0.19 -0.36 3.86 0.00 -1.31 0.12 119.26 122.62 1i50 h ALA 375 Ca -0.06 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1i50 h ALA 375 Cb 1.62 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 1i50 h ALA 375 CO 0.15 -0.23 0.02 0.74 0.00 0.00 0.00 179.25 179.93 1i50 h PHE 376 N 0.08 0.58 -0.24 0.00 -1.00 -1.43 0.10 116.94 115.03 1i50 h PHE 376 Ca 0.05 -0.05 -0.17 0.00 2.81 0.00 0.00 57.97 60.60 1i50 h PHE 376 Cb 0.17 -0.17 0.00 0.00 3.61 0.00 0.00 35.95 39.57 1i50 h PHE 376 CO -0.01 0.55 -0.51 0.35 -1.61 0.00 0.00 178.31 177.07 1i50 h PHE 377 N 0.54 0.97 -0.71 -0.55 3.57 -1.17 -0.33 116.94 119.26 1i50 h PHE 377 Ca 0.12 -0.36 -0.04 0.00 3.53 0.00 0.00 57.97 61.21 1i50 h PHE 377 Cb 0.32 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 1i50 h PHE 377 CO 0.01 1.16 0.26 1.25 -2.23 0.00 0.00 178.31 178.77 1i50 h LEU 378 N 0.50 0.98 -1.12 0.59 5.85 -0.50 -1.81 115.31 119.80 1i50 h LEU 378 Ca 0.00 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 1i50 h LEU 378 Cb 1.12 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 1i50 h LEU 378 CO 0.11 0.88 0.10 1.23 -0.34 0.00 0.00 178.44 180.43 1i50 h GLY 379 N 1.09 0.78 1.40 3.75 0.00 -0.54 -2.10 103.07 107.45 1i50 h GLY 379 Ca 0.24 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 47.05 1i50 h GLY 379 CO -0.02 0.41 -0.05 -1.82 0.00 0.00 0.00 176.54 175.06 1i50 h TYR 380 N 0.70 0.77 -0.25 5.60 3.20 -0.25 0.36 116.97 127.09 1i50 h TYR 380 Ca 0.16 -0.12 -0.10 0.00 3.14 0.00 0.00 58.73 61.81 1i50 h TYR 380 Cb 0.28 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.34 1i50 h TYR 380 CO 0.01 0.75 -0.24 0.52 -1.64 0.00 0.00 178.16 177.57 1i50 h MET 381 N 0.67 0.61 -0.86 1.82 2.86 -1.02 -1.61 114.93 117.40 1i50 h MET 381 Ca 0.12 -0.32 0.02 0.00 -2.06 0.00 0.00 59.70 57.47 1i50 h MET 381 Cb 0.49 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.11 1i50 h MET 381 CO 0.03 0.91 0.56 0.82 1.06 0.00 0.00 176.91 180.29 1i50 h ILE 382 N 0.32 1.19 0.64 -1.22 2.04 -1.07 0.20 117.51 119.62 1i50 h ILE 382 Ca 0.04 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 1i50 h ILE 382 Cb 0.79 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1i50 h ILE 382 CO 0.06 0.21 -0.49 -1.13 0.00 0.00 0.00 178.15 176.79 1i50 h ASN 383 N 1.13 -1.30 -0.04 1.72 -1.24 -0.74 -1.72 115.58 113.39 1i50 h ASN 383 Ca 0.32 0.09 0.01 0.00 0.71 0.00 0.00 56.30 57.43 1i50 h ASN 383 Cb -0.09 0.41 -0.00 0.00 0.73 0.00 0.00 38.32 39.36 1i50 h ASN 383 CO -0.08 -0.71 0.03 0.03 -1.29 0.00 0.00 177.43 175.41 1i50 h ARG 384 N -1.10 0.00 -0.34 6.67 3.08 -1.03 -0.25 114.38 121.42 1i50 h ARG 384 Ca -0.08 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.89 1i50 h ARG 384 Cb 0.91 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 1i50 h ARG 384 CO 0.02 0.00 -0.07 1.25 -1.07 0.00 0.00 179.97 180.10 1i50 h LEU 385 N 0.00 0.65 -0.53 3.04 5.85 -0.60 -3.00 115.31 120.72 1i50 h LEU 385 Ca 0.02 -0.36 -0.16 0.00 0.84 0.00 0.00 57.88 58.22 1i50 h LEU 385 Cb 0.07 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1i50 h LEU 385 CO -0.00 0.86 -0.68 -0.07 -0.34 0.00 0.00 178.44 178.21 1i50 h LEU 386 N 0.44 0.30 -2.71 2.25 3.38 -0.64 -2.34 115.31 115.99 1i50 h LEU 386 Ca 0.09 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1i50 h LEU 386 Cb 0.57 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1i50 h LEU 386 CO 0.03 0.90 0.02 0.25 0.09 0.00 0.00 178.44 179.73 1i50 h LEU 387 N 0.18 0.00 0.05 1.67 5.85 -0.98 0.37 115.31 122.45 1i50 h LEU 387 Ca -0.02 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.41 1i50 h LEU 387 Cb 1.23 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 1i50 h LEU 387 CO 0.11 0.00 -1.58 0.00 -0.34 0.00 0.00 178.44 176.63 1i50 h ALA 389 N -0.30 1.37 -0.19 0.00 0.00 -0.82 -0.75 119.26 118.58 1i50 h ALA 389 Ca -0.39 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1i50 h ALA 389 Cb 1.59 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1i50 h ALA 389 CO -0.11 0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.57 1i50 n LEU 390 N -3.77 1.06 -3.78 0.00 4.77 0.12 -4.91 117.00 110.49 1i50 n LEU 390 Ca -0.02 -0.52 -0.28 0.00 -0.03 0.00 0.00 56.01 55.16 1i50 n LEU 390 Cb 0.22 -0.13 0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1i50 n LEU 390 CO 0.31 0.26 0.15 0.47 -1.33 0.00 0.00 177.39 177.24 1i50 n ASP 391 N 0.06 -5.34 -0.00 -1.43 9.92 -0.29 -4.86 116.55 114.61 1i50 n ASP 391 Ca 0.08 -0.68 0.05 0.00 -0.53 0.00 0.00 54.79 53.71 1i50 n ASP 391 Cb 0.17 -4.24 -0.07 0.00 -0.64 0.00 0.00 41.12 36.34 1i50 n ASP 391 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1i50 n ARG 392 N -4.75 2.21 -3.96 -1.24 1.74 -0.53 -4.99 116.66 105.15 1i50 n ARG 392 Ca 0.03 -0.04 -0.09 0.00 -0.77 0.00 0.00 57.85 56.98 1i50 n ARG 392 Cb 0.54 -1.12 -0.11 0.00 -1.02 0.00 0.00 32.46 30.75 1i50 n ARG 392 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1i50 s LYS 393 N -2.33 0.34 0.17 5.56 -0.14 -0.53 -4.98 119.74 117.82 1i50 s LYS 393 Ca 0.01 -0.58 -0.16 0.00 -1.36 0.00 0.00 55.97 53.88 1i50 s LYS 393 Cb 0.08 0.12 -0.07 0.00 -1.68 0.00 0.00 37.83 36.28 1i50 s LYS 393 CO 0.46 -0.06 0.60 -0.51 -0.76 0.00 0.00 175.35 175.08 1i50 s ASP 394 N -1.45 6.89 0.52 2.83 1.01 -1.26 -4.49 116.67 120.71 1i50 s ASP 394 Ca -0.16 1.17 -0.22 0.00 0.71 0.00 0.00 52.55 54.05 1i50 s ASP 394 Cb -0.10 -2.32 -0.07 0.00 1.01 0.00 0.00 42.92 41.44 1i50 s ASP 394 CO -0.01 0.08 1.12 0.00 0.21 0.00 0.00 175.17 176.58 1i50 n GLN 395 N 0.78 1.36 -1.59 8.23 10.64 -1.26 -4.89 117.38 130.66 1i50 n GLN 395 Ca -0.05 0.50 -0.37 0.00 -1.83 0.00 0.00 57.00 55.26 1i50 n GLN 395 Cb 0.52 -2.28 0.06 0.00 -0.86 0.00 0.00 30.24 27.68 1i50 n GLN 395 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1i50 n ASP 396 N -0.39 0.80 -4.49 2.61 8.00 -0.97 -4.95 116.55 117.15 1i50 n ASP 396 Ca 0.11 0.78 -0.43 0.00 0.71 0.00 0.00 54.79 55.95 1i50 n ASP 396 Cb 0.44 -1.41 -0.05 0.00 -0.02 0.00 0.00 41.12 40.08 1i50 n ASP 396 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1i50 s ASP 397 N -1.34 6.30 0.00 -2.24 -1.08 -1.26 -4.92 116.67 112.13 1i50 s ASP 397 Ca 0.77 -0.54 0.05 0.00 -0.52 0.00 0.00 52.55 52.31 1i50 s ASP 397 Cb -0.40 -2.37 0.25 0.00 -1.46 0.00 0.00 42.92 38.94 1i50 s ASP 397 CO 0.46 -1.05 1.13 0.54 0.52 0.00 0.00 175.17 176.77 1i50 n ARG 398 N 6.84 0.02 -0.19 4.34 1.74 -1.26 -2.44 116.66 125.71 1i50 n ARG 398 Ca -0.02 0.35 0.07 0.00 -0.77 0.00 0.00 57.85 57.49 1i50 n ARG 398 Cb 0.47 -1.50 0.18 0.00 -1.02 0.00 0.00 32.46 30.58 1i50 n ARG 398 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1i50 n ASP 399 N -1.43 3.04 -4.65 0.55 8.00 -1.26 -4.72 116.55 116.07 1i50 n ASP 399 Ca 0.02 -1.93 -0.43 0.00 0.71 0.00 0.00 54.79 53.16 1i50 n ASP 399 Cb 0.06 -0.25 -0.02 0.00 -0.02 0.00 0.00 41.12 40.88 1i50 n ASP 399 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1i50 s HIS 400 N -1.04 2.31 0.55 1.24 2.46 -1.02 -4.89 115.29 114.90 1i50 s HIS 400 Ca 0.28 0.58 0.40 0.00 0.47 0.00 0.00 55.06 56.79 1i50 s HIS 400 Cb 0.15 -3.82 2.14 0.00 -0.13 0.00 0.00 32.58 30.92 1i50 s HIS 400 CO 0.20 -2.81 2.28 0.35 -2.47 0.00 0.00 174.74 172.29 1i50 h PHE 401 N 9.53 0.00 0.00 3.88 3.57 -1.92 -2.22 116.94 129.77 1i50 h PHE 401 Ca -0.33 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.17 1i50 h PHE 401 Cb 1.14 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.88 1i50 h PHE 401 CO 0.87 0.01 0.00 0.78 -2.23 0.00 0.00 178.31 177.74 1i50 h GLY 402 N 0.38 0.00 -1.53 2.40 0.00 -1.88 -2.59 103.07 99.86 1i50 h GLY 402 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1i50 h GLY 402 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 1i50 n LYS 403 N -2.32 2.96 -3.15 4.80 5.02 -0.83 -4.60 118.16 120.03 1i50 n LYS 403 Ca 0.01 -2.41 -0.21 0.00 -2.02 0.00 0.00 58.31 53.69 1i50 n LYS 403 Cb 0.21 -1.53 0.05 0.00 -0.02 0.00 0.00 35.03 33.74 1i50 n LYS 403 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1i50 s LYS 404 N -1.75 2.28 -0.19 1.97 -0.14 -0.98 -1.22 119.74 119.72 1i50 s LYS 404 Ca 0.32 -1.71 -0.22 0.00 -1.36 0.00 0.00 55.97 53.00 1i50 s LYS 404 Cb 0.22 -2.57 0.06 0.00 -1.68 0.00 0.00 37.83 33.86 1i50 s LYS 404 CO 0.14 -0.85 0.60 1.03 -0.76 0.00 0.00 175.35 175.51 1i50 s ARG 405 N -4.63 0.76 -0.29 1.68 1.81 0.55 -4.53 118.95 114.31 1i50 s ARG 405 Ca 0.58 0.71 -0.05 0.00 -1.72 0.00 0.00 55.73 55.25 1i50 s ARG 405 Cb -0.05 0.36 0.02 0.00 -0.45 0.00 0.00 34.95 34.83 1i50 s ARG 405 CO 0.37 -0.12 0.04 -0.51 -0.68 0.00 0.00 175.30 174.40 1i50 s LEU 406 N 0.02 3.72 -0.00 2.53 1.43 -0.03 -0.54 118.68 125.81 1i50 s LEU 406 Ca -0.02 -0.80 -0.24 0.00 -1.03 0.00 0.00 54.13 52.04 1i50 s LEU 406 Cb -0.04 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 1i50 s LEU 406 CO 0.02 -0.19 0.72 -1.81 0.23 0.00 0.00 176.35 175.33 1i50 s ASP 407 N 1.44 7.10 0.20 2.29 1.01 0.11 -4.39 116.67 124.44 1i50 s ASP 407 Ca 0.01 1.32 0.00 0.00 0.71 0.00 0.00 52.55 54.60 1i50 s ASP 407 Cb -0.17 -2.44 -0.00 0.00 1.01 0.00 0.00 42.92 41.32 1i50 s ASP 407 CO 0.01 -0.03 0.02 0.18 0.21 0.00 0.00 175.17 175.56 1i50 n LEU 408 N 3.16 0.00 -0.17 1.23 4.77 -1.26 -0.92 117.00 123.81 1i50 n LEU 408 Ca -0.02 -1.30 -0.04 0.00 -0.03 0.00 0.00 56.01 54.61 1i50 n LEU 408 Cb 0.51 0.22 -0.04 0.00 -2.33 0.00 0.00 43.42 41.77 1i50 n LEU 408 CO 0.47 -0.19 0.33 0.00 -1.33 0.00 0.00 177.39 176.67 1i50 n ALA 409 N -2.31 -0.26 0.03 -1.18 0.00 -1.26 -0.54 120.51 114.99 1i50 n ALA 409 Ca -0.08 0.34 -0.04 0.00 0.00 0.00 0.00 53.44 53.66 1i50 n ALA 409 Cb 0.26 0.08 -0.02 0.00 0.00 0.00 0.00 19.45 19.76 1i50 n ALA 409 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1i50 h GLY 410 N 0.00 -1.19 0.21 0.00 0.00 -1.89 0.53 103.07 100.74 1i50 h GLY 410 Ca 0.06 0.54 0.13 0.00 0.00 0.00 0.00 47.33 48.07 1i50 h GLY 410 CO -0.38 -0.41 0.27 -2.55 0.00 0.00 0.00 176.54 173.47 1i50 h PRO 411 N -0.19 0.41 0.15 4.80 0.11 -1.76 -1.03 132.00 134.50 1i50 h PRO 411 Ca -0.00 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 1i50 h PRO 411 Cb 0.19 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.20 1i50 h PRO 411 CO -0.07 0.27 -0.09 -0.07 -0.21 0.00 0.00 178.00 177.83 1i50 h LEU 412 N 0.43 -0.23 -0.68 2.35 3.38 -0.59 -1.93 115.31 118.04 1i50 h LEU 412 Ca 0.38 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1i50 h LEU 412 Cb 0.55 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1i50 h LEU 412 CO -0.38 -0.15 0.00 0.18 0.09 0.00 0.00 178.44 178.18 1i50 n LEU 413 N -5.21 0.35 0.10 1.67 4.77 0.18 -1.83 117.00 117.03 1i50 n LEU 413 Ca -0.08 0.63 0.11 0.00 -0.03 0.00 0.00 56.01 56.64 1i50 n LEU 413 Cb 0.13 -0.64 -0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1i50 n LEU 413 CO 0.33 -0.64 0.02 0.00 -1.33 0.00 0.00 177.39 175.77 1i50 h ALA 414 N 2.13 0.51 0.01 -1.18 0.00 -0.40 -2.73 119.26 117.59 1i50 h ALA 414 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1i50 h ALA 414 Cb 0.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1i50 h ALA 414 CO 0.00 0.04 -0.17 1.96 0.00 0.00 0.00 179.25 181.09 1i50 h GLN 415 N 0.00 0.10 -0.30 0.00 4.20 -1.16 -2.35 115.11 115.60 1i50 h GLN 415 Ca -0.01 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 1i50 h GLN 415 Cb 1.03 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 1i50 h GLN 415 CO 0.00 0.91 0.07 -0.07 -0.67 0.00 0.00 178.83 179.07 1i50 h LEU 416 N -0.65 0.46 -1.48 1.46 3.38 -1.70 -1.78 115.31 115.00 1i50 h LEU 416 Ca -0.02 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 1i50 h LEU 416 Cb 0.97 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1i50 h LEU 416 CO 0.03 0.58 -0.19 0.15 0.09 0.00 0.00 178.44 179.10 1i50 h PHE 417 N 0.33 0.10 0.35 1.13 3.57 -1.58 0.99 116.94 121.82 1i50 h PHE 417 Ca 0.09 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 1i50 h PHE 417 Cb 0.29 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.01 1i50 h PHE 417 CO 0.01 0.29 -0.17 0.87 -2.23 0.00 0.00 178.31 177.09 1i50 h LYS 418 N 0.09 -0.45 -1.23 1.11 1.57 -1.23 -1.00 116.57 115.42 1i50 h LYS 418 Ca 0.02 0.03 0.41 0.00 -1.87 0.00 0.00 60.65 59.23 1i50 h LYS 418 Cb 0.39 0.10 -0.13 0.00 0.08 0.00 0.00 32.23 32.68 1i50 h LYS 418 CO 0.03 -0.30 0.78 1.15 -0.57 0.00 0.00 179.45 180.54 1i50 h THR 419 N -0.71 0.17 0.16 -0.16 2.02 -1.14 0.14 112.91 113.39 1i50 h THR 419 Ca -0.05 -0.05 -0.31 0.00 0.77 0.00 0.00 66.41 66.78 1i50 h THR 419 Cb 0.36 0.02 0.01 0.00 -1.74 0.00 0.00 68.15 66.80 1i50 h THR 419 CO 0.08 0.02 -1.48 -0.07 0.37 0.00 0.00 175.52 174.45 1i50 h LEU 420 N 0.13 0.53 -1.78 2.58 3.38 -0.80 -3.05 115.31 116.31 1i50 h LEU 420 Ca 0.79 -0.65 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1i50 h LEU 420 Cb 2.35 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.92 1i50 h LEU 420 CO -0.46 1.53 -0.09 0.15 0.09 0.00 0.00 178.44 179.67 1i50 h PHE 421 N 0.09 0.00 0.00 1.13 3.57 0.61 -0.46 116.94 121.88 1i50 h PHE 421 Ca -0.23 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.18 1i50 h PHE 421 Cb 2.05 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.78 1i50 h PHE 421 CO 0.08 0.09 -0.50 -0.22 -2.23 0.00 0.00 178.31 175.53 1i50 h LYS 422 N 0.00 0.00 0.00 1.11 1.63 -1.12 -1.64 116.57 116.56 1i50 h LYS 422 Ca -0.00 0.00 -0.24 0.00 -0.85 0.00 0.00 60.65 59.56 1i50 h LYS 422 Cb 0.42 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.01 1i50 h LYS 422 CO 0.01 0.40 -1.32 0.87 -3.45 0.00 0.00 179.45 175.96 1i50 h LYS 423 N 0.00 0.00 0.00 1.90 1.57 -1.17 -2.06 116.57 116.81 1i50 h LYS 423 Ca -0.01 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1i50 h LYS 423 Cb 1.33 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.63 1i50 h LYS 423 CO 0.05 0.71 -0.28 1.25 -0.57 0.00 0.00 179.45 180.62 1i50 h LEU 424 N 0.00 0.00 0.14 2.94 5.85 -1.09 -2.27 115.31 120.88 1i50 h LEU 424 Ca -0.14 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.30 1i50 h LEU 424 Cb 1.85 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.89 1i50 h LEU 424 CO 0.10 0.28 -1.28 0.74 -0.34 0.00 0.00 178.44 177.93 1i50 h THR 425 N 0.00 1.46 0.11 1.05 2.02 -1.24 -2.95 112.91 113.36 1i50 h THR 425 Ca -0.00 -3.02 -0.01 0.00 0.77 0.00 0.00 66.41 64.15 1i50 h THR 425 Cb 0.87 2.94 0.00 0.00 -1.74 0.00 0.00 68.15 70.22 1i50 h THR 425 CO 0.04 0.88 -0.05 0.11 0.37 0.00 0.00 175.52 176.87 1i50 h LYS 426 N 0.08 -0.15 -0.55 6.66 1.57 -1.17 -2.82 116.57 120.20 1i50 h LYS 426 Ca -0.15 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.74 1i50 h LYS 426 Cb 1.99 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 34.25 1i50 h LYS 426 CO 0.21 0.14 0.10 -0.44 -0.57 0.00 0.00 179.45 178.88 1i50 h ASP 427 N -0.43 -0.03 0.01 0.86 3.32 -1.52 0.25 116.42 118.89 1i50 h ASP 427 Ca -0.02 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1i50 h ASP 427 Cb 0.35 0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 1i50 h ASP 427 CO 0.03 0.00 -0.00 0.40 -1.72 0.00 0.00 179.24 177.95 1i50 h ILE 428 N 0.23 0.25 0.00 0.35 2.04 -1.46 0.26 117.51 119.17 1i50 h ILE 428 Ca 0.28 -0.01 -0.12 0.00 1.00 0.00 0.00 64.86 66.02 1i50 h ILE 428 Cb 0.41 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1i50 h ILE 428 CO -0.38 0.00 -0.68 0.15 0.00 0.00 0.00 178.15 177.24 1i50 h PHE 429 N 0.00 0.00 -0.28 1.37 3.57 -0.28 -3.03 116.94 118.29 1i50 h PHE 429 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1i50 h PHE 429 Cb 0.01 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1i50 h PHE 429 CO 0.00 0.52 0.00 0.54 -2.23 0.00 0.00 178.31 177.14 1i50 n ARG 430 N -3.16 1.71 -0.18 1.11 1.74 0.86 -2.96 116.66 115.77 1i50 n ARG 430 Ca -0.00 -1.10 0.05 0.00 -0.77 0.00 0.00 57.85 56.03 1i50 n ARG 430 Cb 0.76 -1.28 0.14 0.00 -1.02 0.00 0.00 32.46 31.06 1i50 n ARG 430 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1i50 n TYR 431 N 0.37 0.44 0.02 -1.55 9.36 -0.89 -4.20 117.16 120.71 1i50 n TYR 431 Ca 0.12 -0.58 0.00 0.00 3.32 0.00 0.00 57.90 60.76 1i50 n TYR 431 Cb 0.27 -0.08 0.00 0.00 -0.63 0.00 0.00 39.34 38.90 1i50 n TYR 431 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 1i50 n MET 432 N 0.10 0.00 -0.31 2.98 2.81 -1.17 -4.38 117.12 117.15 1i50 n MET 432 Ca 0.11 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 56.02 1i50 n MET 432 Cb 0.47 -0.38 0.21 0.00 -0.71 0.00 0.00 33.22 32.82 1i50 n MET 432 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1i50 h GLN 433 N 0.00 1.08 -0.01 0.03 4.20 -1.79 0.29 115.11 118.91 1i50 h GLN 433 Ca 0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1i50 h GLN 433 Cb 0.50 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1i50 h GLN 433 CO 0.00 0.71 -0.02 0.54 -0.67 0.00 0.00 178.83 179.39 1i50 n ARG 434 N -4.46 1.22 -3.59 1.46 1.74 -1.26 -4.67 116.66 107.09 1i50 n ARG 434 Ca 0.13 -0.44 -0.40 0.00 -0.77 0.00 0.00 57.85 56.37 1i50 n ARG 434 Cb 0.13 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 30.00 1i50 n ARG 434 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1i50 s THR 435 N -2.09 4.13 0.09 0.55 2.01 0.09 -4.90 115.64 115.52 1i50 s THR 435 Ca 0.40 -2.09 0.00 0.00 0.31 0.00 0.00 61.69 60.31 1i50 s THR 435 Cb 0.21 -3.71 -0.26 0.00 0.01 0.00 0.00 72.50 68.76 1i50 s THR 435 CO 0.38 -0.81 1.18 0.58 -0.69 0.00 0.00 174.62 175.25 1i50 h VAL 436 N 5.89 1.56 0.00 3.82 2.07 -1.83 -3.46 116.25 124.31 1i50 h VAL 436 Ca -0.14 -3.19 0.00 0.00 0.82 0.00 0.00 66.70 64.20 1i50 h VAL 436 Cb 1.05 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.72 1i50 h VAL 436 CO 0.80 0.92 0.00 -0.62 0.02 0.00 0.00 177.57 178.69 1i50 n GLU 437 N -3.46 0.00 -1.04 1.57 1.02 -1.26 -5.22 120.64 112.26 1i50 n GLU 437 Ca -0.06 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.89 1i50 n GLU 437 Cb 0.99 -0.50 -0.12 0.00 -0.02 0.00 0.00 31.44 31.79 1i50 n GLU 437 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1i50 n LEU 446 N -0.00 6.02 -1.87 -4.62 4.77 -1.26 -5.29 117.00 114.75 1i50 n LEU 446 Ca 0.00 -3.40 -0.12 0.00 -0.03 0.00 0.00 56.01 52.46 1i50 n LEU 446 Cb 0.00 -1.39 0.03 0.00 -2.33 0.00 0.00 43.42 39.72 1i50 n LEU 446 CO 0.00 1.68 0.04 0.00 -1.33 0.00 0.00 177.39 177.78 1i50 n ALA 447 N 2.89 -0.58 -3.93 -1.18 0.00 -1.26 -5.03 120.51 111.42 1i50 n ALA 447 Ca 0.51 0.18 -0.28 0.00 0.00 0.00 0.00 53.44 53.85 1i50 n ALA 447 Cb 0.66 -2.60 -0.17 0.00 0.00 0.00 0.00 19.45 17.35 1i50 n ALA 447 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1i50 s ILE 448 N -2.96 1.21 -0.93 0.00 1.01 -1.26 -4.84 121.20 113.43 1i50 s ILE 448 Ca 0.21 -0.52 -0.22 0.00 0.00 0.00 0.00 60.65 60.12 1i50 s ILE 448 Cb -0.09 -1.26 0.08 0.00 0.01 0.00 0.00 42.46 41.20 1i50 s ILE 448 CO 0.26 0.30 1.27 0.21 0.00 0.00 0.00 174.94 176.97 1i50 s ASN 449 N 1.62 6.50 0.35 3.58 3.84 -1.26 -4.81 114.94 124.75 1i50 s ASN 449 Ca 0.03 -1.58 0.05 0.00 0.21 0.00 0.00 52.86 51.58 1i50 s ASN 449 Cb -0.14 -2.49 0.64 0.00 -0.55 0.00 0.00 41.25 38.71 1i50 s ASN 449 CO -0.09 -1.35 1.88 0.00 -2.79 0.00 0.00 177.10 174.76 1i50 h ALA 450 N 9.41 1.40 0.00 1.71 0.00 -1.96 -2.28 119.26 127.53 1i50 h ALA 450 Ca 0.11 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1i50 h ALA 450 Cb 1.02 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1i50 h ALA 450 CO 1.27 0.42 -0.02 -0.22 0.00 0.00 0.00 179.25 180.70 1i50 h LYS 451 N 0.46 0.00 -1.00 0.00 3.64 -1.98 -1.89 116.57 115.81 1i50 h LYS 451 Ca 0.10 0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.68 1i50 h LYS 451 Cb 0.33 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.04 1i50 h LYS 451 CO 0.01 0.02 0.60 1.15 -2.27 0.00 0.00 179.45 178.96 1i50 h THR 452 N 0.00 0.67 0.00 1.00 2.02 -1.82 -1.11 112.91 113.67 1i50 h THR 452 Ca -0.00 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 66.89 1i50 h THR 452 Cb 0.07 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.35 1i50 h THR 452 CO 0.00 0.13 -0.41 0.40 0.37 0.00 0.00 175.52 176.02 1i50 h ILE 453 N 0.73 0.38 -0.95 3.11 2.04 -1.54 -2.97 117.51 118.31 1i50 h ILE 453 Ca 0.59 -1.37 0.27 0.00 1.00 0.00 0.00 64.86 65.35 1i50 h ILE 453 Cb 0.95 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 1i50 h ILE 453 CO -0.40 0.13 0.77 0.74 0.00 0.00 0.00 178.15 179.39 1i50 h THR 454 N -1.00 0.36 0.13 -0.27 2.02 -1.42 0.53 112.91 113.27 1i50 h THR 454 Ca -0.06 0.00 -0.30 0.00 0.77 0.00 0.00 66.41 66.82 1i50 h THR 454 Cb 0.54 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1i50 h THR 454 CO -0.04 0.00 -1.53 0.28 0.37 0.00 0.00 175.52 174.60 1i50 h SER 455 N 0.00 0.43 0.13 4.18 0.02 -1.36 -2.98 113.55 113.97 1i50 h SER 455 Ca 0.45 -0.87 0.01 0.00 -0.84 0.00 0.00 61.79 60.54 1i50 h SER 455 Cb 1.99 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 64.37 1i50 h SER 455 CO -0.00 1.67 -0.20 1.23 -1.14 0.00 0.00 176.83 178.39 1i50 h GLY 456 N 0.26 -0.38 0.12 -3.77 0.00 -0.79 0.60 103.07 99.11 1i50 h GLY 456 Ca -0.32 0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1i50 h GLY 456 CO 0.08 -0.19 -0.06 1.41 0.00 0.00 0.00 176.54 177.79 1i50 h LEU 457 N -0.39 -0.14 -0.85 3.11 3.38 -1.31 -2.37 115.31 116.74 1i50 h LEU 457 Ca 0.02 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.13 1i50 h LEU 457 Cb 0.40 0.04 -0.14 0.00 0.09 0.00 0.00 40.66 41.05 1i50 h LEU 457 CO -0.10 -0.10 -0.32 1.17 0.09 0.00 0.00 178.44 179.19 1i50 n LYS 458 N -2.45 -0.18 0.20 1.13 4.81 -1.13 -0.88 118.16 119.66 1i50 n LYS 458 Ca -0.02 1.31 -0.16 0.00 -0.87 0.00 0.00 58.31 58.57 1i50 n LYS 458 Cb 0.07 -1.95 -0.09 0.00 0.02 0.00 0.00 35.03 33.08 1i50 n LYS 458 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 1i50 h TYR 459 N 0.00 -1.31 -0.93 5.64 3.20 0.27 0.57 116.97 124.41 1i50 h TYR 459 Ca 0.31 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.23 1i50 h TYR 459 Cb 0.52 0.53 -0.05 0.00 1.54 0.00 0.00 36.73 39.27 1i50 h TYR 459 CO -0.74 -0.58 0.61 0.00 -1.64 0.00 0.00 178.16 175.81 1i50 h ALA 460 N -0.86 1.22 0.00 1.82 0.00 -0.73 -0.68 119.26 120.03 1i50 h ALA 460 Ca -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1i50 h ALA 460 Cb 0.75 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1i50 h ALA 460 CO -0.13 0.49 0.00 1.25 0.00 0.00 0.00 179.25 180.86 1i50 h LEU 461 N 1.19 0.00 0.00 0.00 5.85 -0.79 -1.21 115.31 120.34 1i50 h LEU 461 Ca 0.37 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.81 1i50 h LEU 461 Cb -0.02 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 1i50 h LEU 461 CO -0.11 0.00 -1.63 0.00 -0.34 0.00 0.00 178.44 176.36 1i50 h ALA 462 N 2.01 0.74 -2.03 1.25 0.00 0.47 -3.44 119.26 118.25 1i50 h ALA 462 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 54.91 53.52 1i50 h ALA 462 Cb 0.47 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1i50 h ALA 462 CO 0.00 1.53 0.00 2.41 0.00 0.00 0.00 179.25 183.19 1i50 n THR 463 N -3.07 0.00 0.00 0.00 -1.04 -0.40 -5.00 114.28 104.78 1i50 n THR 463 Ca -0.15 0.16 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1i50 n THR 463 Cb 1.03 -1.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1i50 n THR 463 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1i50 n GLY 464 N 2.21 0.51 3.31 3.41 0.00 -0.48 -4.42 105.19 109.72 1i50 n GLY 464 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1i50 n GLY 464 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i50 s ASN 465 N -0.51 6.01 -0.04 1.61 0.02 -1.24 -1.91 114.94 118.89 1i50 s ASN 465 Ca 0.00 -1.66 -0.09 0.00 -1.02 0.00 0.00 52.86 50.09 1i50 s ASN 465 Cb 0.00 -2.14 -0.03 0.00 0.02 0.00 0.00 41.25 39.10 1i50 s ASN 465 CO 0.00 -0.73 -0.17 0.79 0.02 0.00 0.00 177.10 177.01 1i50 n TRP 466 N 5.13 0.00 -0.38 2.20 8.01 -1.26 -4.55 117.44 126.59 1i50 n TRP 466 Ca -0.12 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.07 1i50 n TRP 466 Cb 0.41 -0.25 0.00 0.00 -2.01 0.00 0.00 31.31 29.46 1i50 n TRP 466 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1i50 n GLY 467 N 2.50 1.00 0.00 6.99 0.00 -1.26 -4.98 105.19 109.44 1i50 n GLY 467 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1i50 n GLY 467 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i50 n ALA 477 N 0.00 0.00 -0.68 4.61 0.00 -1.23 -5.30 120.51 117.91 1i50 n ALA 477 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1i50 n ALA 477 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 1i50 n ALA 477 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i50 n GLY 478 N 0.00 0.61 0.30 0.00 0.00 -0.80 -4.94 105.19 100.36 1i50 n GLY 478 Ca 0.00 -0.44 0.15 0.00 0.00 0.00 0.00 46.02 45.72 1i50 n GLY 478 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1i50 h VAL 479 N 0.00 0.58 -4.05 1.61 2.07 -1.87 -3.42 116.25 111.18 1i50 h VAL 479 Ca 0.00 0.00 -0.68 0.00 0.82 0.00 0.00 66.70 66.84 1i50 h VAL 479 Cb 0.00 0.95 -0.31 0.00 -1.52 0.00 0.00 31.29 30.41 1i50 h VAL 479 CO 0.00 0.00 -0.88 -0.55 0.02 0.00 0.00 177.57 176.16 1i50 s SER 480 N -6.19 2.99 0.09 0.57 0.15 -1.26 -1.44 113.70 108.60 1i50 s SER 480 Ca -0.05 -0.50 -0.01 0.00 0.70 0.00 0.00 55.95 56.10 1i50 s SER 480 Cb 0.15 -0.78 -0.04 0.00 -1.71 0.00 0.00 66.02 63.64 1i50 s SER 480 CO 0.57 0.24 -0.01 -1.10 1.20 0.00 0.00 173.24 174.15 1i50 s GLN 481 N -0.18 0.76 -0.01 5.44 -0.21 -0.17 -4.59 119.66 120.69 1i50 s GLN 481 Ca -0.03 -1.32 -0.30 0.00 0.02 0.00 0.00 55.36 53.73 1i50 s GLN 481 Cb -0.13 0.14 -0.04 0.00 1.00 0.00 0.00 33.01 33.98 1i50 s GLN 481 CO 0.03 -0.15 1.22 0.08 -2.12 0.00 0.00 175.29 174.35 1i50 s VAL 482 N -3.91 4.14 0.17 1.09 1.01 -1.26 0.12 120.40 121.76 1i50 s VAL 482 Ca 0.14 1.50 -0.32 0.00 0.00 0.00 0.00 61.98 63.30 1i50 s VAL 482 Cb 0.07 -3.96 -0.11 0.00 0.00 0.00 0.00 36.38 32.38 1i50 s VAL 482 CO -0.05 0.03 1.74 -0.22 0.00 0.00 0.00 175.10 176.61 1i50 s LEU 483 N 1.88 4.38 0.52 3.92 2.96 0.56 -4.87 118.68 128.03 1i50 s LEU 483 Ca 0.58 2.78 -0.22 0.00 -0.22 0.00 0.00 54.13 57.05 1i50 s LEU 483 Cb -0.27 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 42.78 1i50 s LEU 483 CO 0.25 -0.97 1.31 0.20 -1.32 0.00 0.00 176.35 175.82 1i50 s ASN 484 N 1.81 5.49 0.00 3.68 -0.87 -1.26 -4.92 114.94 118.87 1i50 s ASN 484 Ca 0.77 2.64 0.05 0.00 -1.57 0.00 0.00 52.86 54.75 1i50 s ASN 484 Cb -0.47 -2.63 0.09 0.00 -0.02 0.00 0.00 41.25 38.22 1i50 s ASN 484 CO 0.34 -1.41 0.89 -1.14 -2.57 0.00 0.00 177.10 173.21 1i50 n ARG 485 N -0.90 0.00 -0.17 -0.60 3.00 -1.26 -4.30 116.66 112.42 1i50 n ARG 485 Ca 0.10 -0.91 -0.10 0.00 -0.00 0.00 0.00 57.85 56.93 1i50 n ARG 485 Cb 0.46 -0.06 0.00 0.00 0.00 0.00 0.00 32.46 32.86 1i50 n ARG 485 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.63 179.51 1i50 h TYR 486 N 0.20 1.07 -4.08 -0.14 0.99 -1.91 -3.43 116.97 109.67 1i50 h TYR 486 Ca -0.15 -0.22 -0.12 0.00 2.00 0.00 0.00 58.73 60.23 1i50 h TYR 486 Cb 1.39 -0.27 -0.14 0.00 1.00 0.00 0.00 36.73 38.71 1i50 h TYR 486 CO -0.05 1.01 -0.49 0.99 -0.00 0.00 0.00 178.16 179.62 1i50 s THR 487 N -4.85 0.12 0.05 -2.88 2.01 -1.26 -4.23 115.64 104.60 1i50 s THR 487 Ca -0.12 -1.56 -0.21 0.00 0.31 0.00 0.00 61.69 60.12 1i50 s THR 487 Cb 0.12 -1.72 -0.13 0.00 0.01 0.00 0.00 72.50 70.78 1i50 s THR 487 CO 0.85 -0.55 1.42 0.22 -0.69 0.00 0.00 174.62 175.87 1i50 h TYR 488 N 2.79 0.36 -0.01 4.92 3.20 -1.80 -2.85 116.97 123.58 1i50 h TYR 488 Ca -0.34 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 61.41 1i50 h TYR 488 Cb 1.20 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.38 1i50 h TYR 488 CO 0.44 0.61 -0.20 0.66 -1.64 0.00 0.00 178.16 178.03 1i50 h SER 489 N 0.01 0.01 0.36 -2.11 4.64 -1.89 -1.55 113.55 113.02 1i50 h SER 489 Ca 0.04 -0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.30 1i50 h SER 489 Cb 0.51 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 1i50 h SER 489 CO 0.02 0.21 -0.29 0.77 -0.87 0.00 0.00 176.83 176.67 1i50 h SER 490 N 0.01 0.00 -0.01 4.97 4.64 -1.83 -0.85 113.55 120.48 1i50 h SER 490 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1i50 h SER 490 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1i50 h SER 490 CO 0.03 0.29 -0.04 0.74 -0.87 0.00 0.00 176.83 176.98 1i50 h THR 491 N 0.00 1.55 -0.79 2.95 2.02 -1.08 -1.96 112.91 115.61 1i50 h THR 491 Ca -0.00 -1.69 0.11 0.00 0.77 0.00 0.00 66.41 65.60 1i50 h THR 491 Cb 0.55 2.67 -0.08 0.00 -1.74 0.00 0.00 68.15 69.56 1i50 h THR 491 CO 0.04 0.44 0.42 -0.07 0.37 0.00 0.00 175.52 176.72 1i50 h LEU 492 N -0.65 0.56 -0.06 2.58 3.38 -1.25 -1.91 115.31 117.95 1i50 h LEU 492 Ca -0.00 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1i50 h LEU 492 Cb 0.75 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1i50 h LEU 492 CO 0.01 0.30 0.02 -1.28 0.09 0.00 0.00 178.44 177.57 1i50 h SER 493 N 0.68 0.02 -0.42 -0.43 0.87 -1.15 -2.72 113.55 110.40 1i50 h SER 493 Ca 0.40 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.96 1i50 h SER 493 Cb 0.44 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 1i50 h SER 493 CO -0.28 0.02 0.24 -0.74 -0.53 0.00 0.00 176.83 175.54 1i50 h HIS 494 N 0.05 0.58 0.00 2.24 6.17 -0.68 -1.54 115.15 121.98 1i50 h HIS 494 Ca 0.03 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.10 1i50 h HIS 494 Cb 0.02 -0.19 0.00 0.00 2.52 0.00 0.00 27.41 29.75 1i50 h HIS 494 CO -0.10 0.41 0.00 1.28 0.71 0.00 0.00 177.93 180.24 1i50 n LEU 495 N -4.42 0.00 -0.32 0.26 4.77 -0.78 -3.05 117.00 113.45 1i50 n LEU 495 Ca 0.03 0.39 0.07 0.00 -0.03 0.00 0.00 56.01 56.48 1i50 n LEU 495 Cb 0.10 -0.39 0.13 0.00 -2.33 0.00 0.00 43.42 40.92 1i50 n LEU 495 CO 0.36 -0.08 0.45 0.54 -1.33 0.00 0.00 177.39 177.34 1i50 n ARG 496 N -1.39 1.10 -2.80 3.23 1.74 -0.61 -4.87 116.66 113.06 1i50 n ARG 496 Ca 0.09 -2.49 -0.32 0.00 -0.77 0.00 0.00 57.85 54.36 1i50 n ARG 496 Cb 0.23 -1.31 -0.04 0.00 -1.02 0.00 0.00 32.46 30.32 1i50 n ARG 496 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1i50 s ARG 497 N -2.40 3.93 0.11 5.56 3.52 -1.05 -1.81 118.95 126.81 1i50 s ARG 497 Ca 0.29 0.73 0.08 0.00 -0.13 0.00 0.00 55.73 56.69 1i50 s ARG 497 Cb 0.27 -2.31 -0.04 0.00 -1.56 0.00 0.00 34.95 31.31 1i50 s ARG 497 CO -0.01 -0.05 -0.19 0.99 -0.81 0.00 0.00 175.30 175.23 1i50 s THR 498 N -2.32 1.61 0.02 4.11 2.01 0.30 -2.88 115.64 118.48 1i50 s THR 498 Ca 0.55 -1.60 0.03 0.00 0.31 0.00 0.00 61.69 60.99 1i50 s THR 498 Cb -0.10 -1.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.86 1i50 s THR 498 CO 0.26 -0.17 -0.09 0.21 -0.69 0.00 0.00 174.62 174.14 1i50 s ASN 499 N -2.08 1.08 -0.30 3.53 2.47 0.64 -1.23 114.94 119.05 1i50 s ASN 499 Ca 0.07 -0.30 0.02 0.00 0.42 0.00 0.00 52.86 53.07 1i50 s ASN 499 Cb -0.09 -0.07 0.08 0.00 -1.45 0.00 0.00 41.25 39.72 1i50 s ASN 499 CO 0.04 0.02 0.01 -0.89 -3.72 0.00 0.00 177.10 172.56 1i50 s THR 500 N -0.59 1.83 0.35 -5.21 2.01 -0.10 -0.74 115.64 113.19 1i50 s THR 500 Ca -0.00 -1.81 -0.28 0.00 0.31 0.00 0.00 61.69 59.91 1i50 s THR 500 Cb -0.06 -2.23 -0.11 0.00 0.01 0.00 0.00 72.50 70.12 1i50 s THR 500 CO 0.00 -0.41 1.39 -2.16 -0.69 0.00 0.00 174.62 172.75 1i50 s PRO 501 N 1.18 4.25 7.82 4.92 0.04 -1.26 -4.91 135.00 147.04 1i50 s PRO 501 Ca 0.04 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.45 1i50 s PRO 501 Cb -0.19 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1i50 s PRO 501 CO -0.10 -0.34 0.00 -0.89 0.04 0.00 0.00 177.00 175.71 1i50 n ILE 502 N 0.71 0.00 -0.10 0.56 5.41 -1.26 -5.10 119.36 119.58 1i50 n ILE 502 Ca 0.01 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.65 1i50 n ILE 502 Cb 0.41 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.30 1i50 n ILE 502 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1i50 h ALA 509 N -0.85 0.41 -1.68 -1.39 0.00 -2.00 -3.50 119.26 110.25 1i50 h ALA 509 Ca 0.00 -0.23 -0.59 0.00 0.00 0.00 0.00 54.91 54.09 1i50 h ALA 509 Cb 0.00 -0.11 -0.42 0.00 0.00 0.00 0.00 17.79 17.26 1i50 h ALA 509 CO 0.00 0.14 -0.70 1.63 0.00 0.00 0.00 179.25 180.32 1i50 n LYS 510 N -4.58 3.39 -0.36 0.00 5.02 -1.26 -4.93 118.16 115.44 1i50 n LYS 510 Ca -0.03 -4.58 0.34 0.00 -2.02 0.00 0.00 58.31 52.03 1i50 n LYS 510 Cb 0.25 -2.25 0.69 0.00 -0.02 0.00 0.00 35.03 33.70 1i50 n LYS 510 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1i50 h PRO 511 N 2.67 0.09 -0.27 1.97 0.13 -1.96 -1.94 132.00 132.68 1i50 h PRO 511 Ca 0.27 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.39 1i50 h PRO 511 Cb 0.83 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1i50 h PRO 511 CO 0.85 0.06 0.00 2.89 -0.23 0.00 0.00 178.00 181.57 1i50 n ARG 512 N -4.30 2.20 -3.23 0.86 1.85 -1.26 -4.69 116.66 108.09 1i50 n ARG 512 Ca 0.28 -1.80 -0.36 0.00 -1.00 0.00 0.00 57.85 54.97 1i50 n ARG 512 Cb 1.24 -1.47 -0.06 0.00 -1.05 0.00 0.00 32.46 31.13 1i50 n ARG 512 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 1i50 s GLN 513 N -1.65 4.14 -0.54 2.89 2.00 -0.73 -4.30 119.66 121.47 1i50 s GLN 513 Ca 0.35 0.70 -0.28 0.00 -2.00 0.00 0.00 55.36 54.14 1i50 s GLN 513 Cb 0.21 -2.96 0.01 0.00 0.80 0.00 0.00 33.01 31.07 1i50 s GLN 513 CO 0.30 0.47 1.40 -1.17 -0.50 0.00 0.00 175.29 175.78 1i50 s LEU 514 N -1.83 3.43 0.43 3.68 2.96 -1.26 -4.99 118.68 121.10 1i50 s LEU 514 Ca 0.39 0.35 -0.15 0.00 -0.22 0.00 0.00 54.13 54.49 1i50 s LEU 514 Cb -0.17 -3.13 -0.08 0.00 0.50 0.00 0.00 46.19 43.31 1i50 s LEU 514 CO 0.20 -1.66 0.87 -2.28 -1.32 0.00 0.00 176.35 172.16 1i50 s HIS 515 N 5.91 3.42 0.23 5.38 5.65 -1.26 -4.98 115.29 129.63 1i50 s HIS 515 Ca 0.53 1.32 -0.07 0.00 0.25 0.00 0.00 55.06 57.09 1i50 s HIS 515 Cb -0.11 -2.65 0.36 0.00 -1.18 0.00 0.00 32.58 29.00 1i50 s HIS 515 CO 0.26 -0.16 1.76 -0.91 -0.65 0.00 0.00 174.74 175.04 1i50 h ASN 516 N 1.45 0.35 0.00 9.88 2.35 -1.94 -1.20 115.58 126.47 1i50 h ASN 516 Ca -0.47 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 1i50 h ASN 516 Cb 1.18 0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.58 1i50 h ASN 516 CO 0.63 0.18 0.00 0.35 -1.65 0.00 0.00 177.43 176.94 1i50 n THR 517 N -4.94 0.00 0.57 2.81 -2.24 -1.26 -2.29 114.28 106.93 1i50 n THR 517 Ca 0.11 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.02 1i50 n THR 517 Cb 0.32 -0.77 0.34 0.00 -2.10 0.00 0.00 70.33 68.11 1i50 n THR 517 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1i50 h HIS 518 N 0.00 0.00 -1.64 4.78 3.86 -1.58 -3.44 115.15 117.14 1i50 h HIS 518 Ca 0.00 0.00 -0.71 0.00 -1.16 0.00 0.00 60.37 58.50 1i50 h HIS 518 Cb 0.00 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.50 1i50 h HIS 518 CO 0.00 0.00 0.76 1.87 0.86 0.00 0.00 177.93 181.42 1i50 n TRP 519 N -2.33 1.89 0.00 2.45 -0.00 -0.97 -1.06 117.44 117.42 1i50 n TRP 519 Ca 0.05 0.53 0.00 0.00 -0.00 0.00 0.00 57.50 58.08 1i50 n TRP 519 Cb 0.44 -2.43 0.00 0.00 -0.00 0.00 0.00 31.31 29.32 1i50 n TRP 519 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1i50 n GLY 520 N 3.62 2.28 0.09 5.87 0.00 -1.26 -4.75 105.19 111.04 1i50 n GLY 520 Ca 0.23 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.13 1i50 n GLY 520 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i50 n LEU 521 N 0.00 2.22 -3.98 0.99 4.77 -0.22 -4.59 117.00 116.18 1i50 n LEU 521 Ca 0.00 -0.08 -0.16 0.00 -0.03 0.00 0.00 56.01 55.74 1i50 n LEU 521 Cb 0.00 -0.42 -0.14 0.00 -2.33 0.00 0.00 43.42 40.53 1i50 n LEU 521 CO 0.00 0.72 -0.41 -0.69 -1.33 0.00 0.00 177.39 175.68 1i50 s VAL 522 N -2.39 0.51 0.32 4.08 1.01 -0.68 -2.31 120.40 120.94 1i50 s VAL 522 Ca -0.22 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 1i50 s VAL 522 Cb 0.06 -0.44 -0.11 0.00 0.00 0.00 0.00 36.38 35.89 1i50 s VAL 522 CO 0.50 0.11 1.57 0.00 0.00 0.00 0.00 175.10 177.28 1i50 h PRO 524 N 4.38 0.00 0.00 0.00 0.13 -1.92 -3.39 132.00 131.20 1i50 h PRO 524 Ca -0.48 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.23 1i50 h PRO 524 Cb 1.23 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 1i50 h PRO 524 CO 0.76 0.00 -2.40 0.00 -0.23 0.00 0.00 178.00 176.12 1i50 n ALA 525 N -1.92 1.38 -2.14 -0.56 0.00 -1.26 -4.90 120.51 111.11 1i50 n ALA 525 Ca 0.04 -1.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.19 1i50 n ALA 525 Cb 0.47 0.17 -0.05 0.00 0.00 0.00 0.00 19.45 20.04 1i50 n ALA 525 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1i50 s GLU 526 N -2.46 2.74 0.04 0.00 2.12 -1.26 -4.35 118.70 115.53 1i50 s GLU 526 Ca -0.35 -0.62 0.01 0.00 0.36 0.00 0.00 54.97 54.37 1i50 s GLU 526 Cb 0.13 -5.15 -0.03 0.00 0.26 0.00 0.00 34.13 29.34 1i50 s GLU 526 CO 0.45 -3.28 -0.05 -0.08 -0.54 0.00 0.00 175.26 171.75 1i50 s THR 527 N 9.33 0.32 0.61 -1.70 -1.32 -1.26 -4.14 115.64 117.49 1i50 s THR 527 Ca 0.66 -1.26 -0.11 0.00 -1.21 0.00 0.00 61.69 59.76 1i50 s THR 527 Cb -0.04 -0.78 -0.04 0.00 -1.51 0.00 0.00 72.50 70.12 1i50 s THR 527 CO 0.01 -0.61 1.03 -2.16 -2.21 0.00 0.00 174.62 170.67 1i50 s PRO 528 N -2.27 3.60 0.43 7.08 0.04 -1.26 -4.89 135.00 137.73 1i50 s PRO 528 Ca -0.06 0.78 -0.14 0.00 0.04 0.00 0.00 61.00 61.61 1i50 s PRO 528 Cb -0.05 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.34 1i50 s PRO 528 CO -0.03 -0.57 0.85 -1.21 0.04 0.00 0.00 177.00 176.08 1i50 s GLU 529 N -5.08 3.91 4.20 4.56 2.02 -1.26 -3.09 118.70 123.96 1i50 s GLU 529 Ca 0.55 0.72 0.00 0.00 0.02 0.00 0.00 54.97 56.27 1i50 s GLU 529 Cb -0.11 -2.29 0.00 0.00 0.10 0.00 0.00 34.13 31.83 1i50 s GLU 529 CO 0.52 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 176.13 1i50 n GLY 530 N -1.18 0.35 0.44 -1.39 0.00 -1.26 -4.36 105.19 97.79 1i50 n GLY 530 Ca 0.04 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 45.01 1i50 n GLY 530 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1i50 h GLN 531 N 0.00 -0.39 0.00 1.61 -0.00 -2.06 -1.72 115.11 112.56 1i50 h GLN 531 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.68 1i50 h GLN 531 Cb 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 27.48 27.57 1i50 h GLN 531 CO 0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 178.83 178.57 1i50 n ALA 532 N -3.07 2.10 -1.67 0.06 0.00 -1.26 -4.83 120.51 111.83 1i50 n ALA 532 Ca -0.03 -0.10 -0.49 0.00 0.00 0.00 0.00 53.44 52.81 1i50 n ALA 532 Cb 0.35 -1.32 -0.05 0.00 0.00 0.00 0.00 19.45 18.44 1i50 n ALA 532 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i50 n GLY 534 N 4.53 2.39 0.03 0.00 0.00 -1.26 -4.79 105.19 106.09 1i50 n GLY 534 Ca 0.24 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.30 1i50 n GLY 534 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i50 n LEU 535 N 0.00 0.00 -4.46 0.99 4.77 -0.24 -4.11 117.00 113.94 1i50 n LEU 535 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 1i50 n LEU 535 Cb 0.00 0.12 -0.12 0.00 -2.33 0.00 0.00 43.42 41.09 1i50 n LEU 535 CO 0.00 0.12 -0.28 -0.69 -1.33 0.00 0.00 177.39 175.21 1i50 s VAL 536 N -2.97 4.32 0.43 4.08 1.01 -0.88 -0.92 120.40 125.48 1i50 s VAL 536 Ca -0.07 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 61.79 1i50 s VAL 536 Cb 0.09 -3.01 -0.06 0.00 0.00 0.00 0.00 36.38 33.40 1i50 s VAL 536 CO 0.71 0.35 0.01 -0.54 0.00 0.00 0.00 175.10 175.64 1i50 s LYS 537 N 1.47 2.00 -0.02 2.72 1.02 -0.37 -4.43 119.74 122.14 1i50 s LYS 537 Ca 0.06 -2.17 0.02 0.00 0.02 0.00 0.00 55.97 53.89 1i50 s LYS 537 Cb -0.15 -1.55 0.00 0.00 -0.52 0.00 0.00 37.83 35.61 1i50 s LYS 537 CO 0.03 -0.14 -0.07 -0.80 -0.92 0.00 0.00 175.35 173.45 1i50 s ASN 538 N -3.74 1.02 0.29 2.83 0.01 -1.26 0.11 114.94 114.20 1i50 s ASN 538 Ca 0.28 -0.15 -0.29 0.00 -0.71 0.00 0.00 52.86 51.98 1i50 s ASN 538 Cb 0.08 -0.26 -0.10 0.00 0.41 0.00 0.00 41.25 41.38 1i50 s ASN 538 CO 0.14 0.05 1.20 -0.76 -1.51 0.00 0.00 177.10 176.22 1i50 s LEU 539 N 0.19 4.49 0.71 0.60 1.43 -0.75 -0.83 118.68 124.51 1i50 s LEU 539 Ca -0.03 2.43 -0.15 0.00 -1.03 0.00 0.00 54.13 55.36 1i50 s LEU 539 Cb -0.08 -3.63 0.03 0.00 0.03 0.00 0.00 46.19 42.54 1i50 s LEU 539 CO 0.00 -0.33 1.15 -0.44 0.23 0.00 0.00 176.35 176.96 1i50 s SER 540 N -0.57 4.57 0.25 2.29 0.01 -0.98 -4.45 113.70 114.83 1i50 s SER 540 Ca 0.48 2.16 -0.11 0.00 1.31 0.00 0.00 55.95 59.79 1i50 s SER 540 Cb -0.35 -2.57 0.36 0.00 0.21 0.00 0.00 66.02 63.67 1i50 s SER 540 CO 0.45 -2.00 1.58 -0.07 0.41 0.00 0.00 173.24 173.61 1i50 h LEU 541 N -0.24 -0.90 -3.41 2.44 3.38 -1.33 -1.92 115.31 113.32 1i50 h LEU 541 Ca -0.47 0.27 -0.21 0.00 0.09 0.00 0.00 57.88 57.56 1i50 h LEU 541 Cb 1.27 0.57 -0.13 0.00 0.09 0.00 0.00 40.66 42.46 1i50 h LEU 541 CO 0.51 -0.29 0.27 0.23 0.09 0.00 0.00 178.44 179.25 1i50 n MET 542 N -5.55 3.20 -2.40 1.13 2.81 -1.26 -4.96 117.12 110.09 1i50 n MET 542 Ca 0.13 -2.59 -0.29 0.00 -1.81 0.00 0.00 57.70 53.14 1i50 n MET 542 Cb 0.44 -2.07 0.00 0.00 -0.71 0.00 0.00 33.22 30.88 1i50 n MET 542 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1i50 s SER 543 N -0.79 6.27 0.13 7.83 0.01 -0.73 -4.25 113.70 122.18 1i50 s SER 543 Ca 0.47 1.10 -0.11 0.00 1.31 0.00 0.00 55.95 58.73 1i50 s SER 543 Cb 0.38 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 64.28 1i50 s SER 543 CO 0.11 -0.66 0.29 0.00 0.41 0.00 0.00 173.24 173.39 1i50 s ILE 545 N -3.90 1.74 0.37 0.00 1.01 -1.26 -0.85 121.20 118.31 1i50 s ILE 545 Ca 0.10 -0.86 -0.28 0.00 0.00 0.00 0.00 60.65 59.61 1i50 s ILE 545 Cb 0.03 -1.50 -0.11 0.00 0.01 0.00 0.00 42.46 40.89 1i50 s ILE 545 CO -0.06 0.49 1.40 -1.54 0.00 0.00 0.00 174.94 175.23 1i50 n SER 546 N 3.31 3.30 0.01 3.58 3.41 0.74 -4.84 113.62 123.14 1i50 n SER 546 Ca -0.19 1.21 0.02 0.00 -0.26 0.00 0.00 58.87 59.64 1i50 n SER 546 Cb 0.52 -1.56 -0.11 0.00 -0.26 0.00 0.00 64.21 62.81 1i50 n SER 546 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1i50 n VAL 547 N 0.32 0.92 0.00 -3.33 3.14 -1.26 -1.62 118.33 116.50 1i50 n VAL 547 Ca 0.03 -0.67 0.00 0.00 -2.96 0.00 0.00 64.34 60.74 1i50 n VAL 547 Cb 0.38 -0.50 0.00 0.00 -1.06 0.00 0.00 33.84 32.66 1i50 n VAL 547 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1i50 n GLY 548 N 1.41 3.39 3.26 7.55 0.00 -1.26 -4.60 105.19 114.93 1i50 n GLY 548 Ca -0.12 -1.49 -0.09 0.00 0.00 0.00 0.00 46.02 44.32 1i50 n GLY 548 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i50 s THR 549 N -0.79 0.11 0.03 2.61 2.01 -0.77 -4.97 115.64 113.88 1i50 s THR 549 Ca 0.00 -1.04 -0.26 0.00 0.31 0.00 0.00 61.69 60.70 1i50 s THR 549 Cb 0.00 -1.36 -0.05 0.00 0.01 0.00 0.00 72.50 71.10 1i50 s THR 549 CO 0.00 -0.51 0.81 -0.62 -0.69 0.00 0.00 174.62 173.61 1i50 s ASP 550 N -2.86 7.24 0.11 3.53 -1.08 -1.26 -4.70 116.67 117.65 1i50 s ASP 550 Ca 0.06 1.48 0.25 0.00 -0.52 0.00 0.00 52.55 53.82 1i50 s ASP 550 Cb 0.04 -2.49 0.49 0.00 -1.46 0.00 0.00 42.92 39.50 1i50 s ASP 550 CO -0.10 -0.04 1.44 -0.81 0.52 0.00 0.00 175.17 176.18 1i50 n PRO 551 N 3.06 0.24 -0.21 4.34 -0.04 -1.26 -4.48 135.00 136.65 1i50 n PRO 551 Ca -0.01 0.09 -0.10 0.00 -0.04 0.00 0.00 63.50 63.45 1i50 n PRO 551 Cb 0.50 -1.68 -0.08 0.00 -0.04 0.00 0.00 33.50 32.21 1i50 n PRO 551 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1i50 h MET 552 N 0.00 -0.15 -0.60 0.54 2.86 -1.98 0.80 114.93 116.40 1i50 h MET 552 Ca 0.00 0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.77 1i50 h MET 552 Cb 0.70 0.03 -0.11 0.00 0.06 0.00 0.00 31.60 32.29 1i50 h MET 552 CO 0.00 -0.10 -0.07 -1.00 1.06 0.00 0.00 176.91 176.80 1i50 h PRO 553 N -0.16 0.05 0.07 -0.22 0.13 -1.99 0.36 132.00 130.23 1i50 h PRO 553 Ca 0.09 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1i50 h PRO 553 Cb 0.39 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.50 1i50 h PRO 553 CO -0.58 0.04 -0.04 0.82 -0.23 0.00 0.00 178.00 178.00 1i50 h ILE 554 N 0.05 0.90 -0.74 -3.56 2.04 -1.62 0.30 117.51 114.89 1i50 h ILE 554 Ca 0.30 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.23 1i50 h ILE 554 Cb 0.47 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 1i50 h ILE 554 CO -0.56 0.00 0.49 0.40 0.00 0.00 0.00 178.15 178.47 1i50 h ILE 555 N -0.11 1.00 0.06 -0.67 2.04 0.15 0.32 117.51 120.31 1i50 h ILE 555 Ca -0.00 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 1i50 h ILE 555 Cb 0.10 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 1i50 h ILE 555 CO 0.00 0.13 -0.03 0.74 0.00 0.00 0.00 178.15 179.00 1i50 h THR 556 N 0.74 1.17 -0.70 -0.27 2.02 0.34 -3.11 112.91 113.09 1i50 h THR 556 Ca 0.33 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1i50 h THR 556 Cb 0.32 1.69 -0.03 0.00 -1.74 0.00 0.00 68.15 68.38 1i50 h THR 556 CO -0.11 0.20 0.45 0.15 0.37 0.00 0.00 175.52 176.58 1i50 h PHE 557 N -0.44 0.89 -0.90 3.16 3.57 0.34 -2.55 116.94 121.01 1i50 h PHE 557 Ca -0.01 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.59 1i50 h PHE 557 Cb 0.39 -0.30 -0.07 0.00 2.79 0.00 0.00 35.95 38.76 1i50 h PHE 557 CO 0.04 0.57 0.55 -0.07 -2.23 0.00 0.00 178.31 177.18 1i50 h LEU 558 N 0.95 0.85 0.00 0.59 3.38 -0.31 -1.52 115.31 119.25 1i50 h LEU 558 Ca 0.26 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.16 1i50 h LEU 558 Cb -0.09 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1i50 h LEU 558 CO -0.05 0.51 -0.70 0.77 0.09 0.00 0.00 178.44 179.06 1i50 h SER 559 N 0.97 0.00 0.69 -0.43 4.64 -1.49 -2.48 113.55 115.45 1i50 h SER 559 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1i50 h SER 559 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1i50 h SER 559 CO -0.21 0.40 0.00 -0.33 -0.87 0.00 0.00 176.83 175.82 1i50 h GLU 560 N 0.00 0.00 -0.54 4.77 5.08 -0.90 -2.89 114.58 120.10 1i50 h GLU 560 Ca -0.04 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.98 1i50 h GLU 560 Cb 1.34 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.38 1i50 h GLU 560 CO 0.04 0.00 -0.14 0.91 -1.00 0.00 0.00 179.01 178.83 1i50 n TRP 561 N -2.41 1.79 -0.73 4.33 7.02 -0.68 -4.96 117.44 121.81 1i50 n TRP 561 Ca 0.01 -1.96 0.00 0.00 -1.02 0.00 0.00 57.50 54.53 1i50 n TRP 561 Cb 0.22 -0.59 0.00 0.00 -2.42 0.00 0.00 31.31 28.52 1i50 n TRP 561 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1i50 n GLY 562 N -1.00 0.60 3.60 6.99 0.00 -1.09 -4.95 105.19 109.33 1i50 n GLY 562 Ca 0.40 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1i50 n GLY 562 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1i50 s MET 563 N -0.78 3.66 0.24 1.61 0.00 -0.95 -4.69 119.30 118.40 1i50 s MET 563 Ca 0.00 0.60 -0.30 0.00 0.00 0.00 0.00 55.69 55.99 1i50 s MET 563 Cb 0.00 -3.95 -0.10 0.00 0.00 0.00 0.00 34.83 30.78 1i50 s MET 563 CO 0.00 -1.46 1.45 -1.21 0.00 0.00 0.00 175.02 173.80 1i50 s GLU 564 N 4.63 4.26 0.60 4.11 2.02 0.63 -4.63 118.70 130.31 1i50 s GLU 564 Ca 0.50 2.31 -0.19 0.00 0.02 0.00 0.00 54.97 57.61 1i50 s GLU 564 Cb -0.08 -3.11 -0.03 0.00 0.10 0.00 0.00 34.13 31.00 1i50 s GLU 564 CO 0.31 -0.44 1.23 -1.25 0.02 0.00 0.00 175.26 175.13 1i50 s PRO 565 N -0.22 2.93 0.52 0.39 0.04 -1.26 -1.64 135.00 135.75 1i50 s PRO 565 Ca 0.60 1.90 0.29 0.00 0.04 0.00 0.00 61.00 63.83 1i50 s PRO 565 Cb -0.42 -1.95 1.36 0.00 0.04 0.00 0.00 34.50 33.53 1i50 s PRO 565 CO 0.42 -1.26 2.00 1.25 0.04 0.00 0.00 177.00 179.45 1i50 h LEU 566 N 0.89 0.00 -0.38 -3.56 5.85 -1.89 -2.76 115.31 113.47 1i50 h LEU 566 Ca -0.51 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.25 1i50 h LEU 566 Cb 1.30 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.30 1i50 h LEU 566 CO 0.55 0.12 0.16 -0.33 -0.34 0.00 0.00 178.44 178.59 1i50 h GLU 567 N 0.00 0.32 -1.91 1.25 4.39 -1.90 -3.01 114.58 113.72 1i50 h GLU 567 Ca -0.00 -0.02 -0.71 0.00 0.34 0.00 0.00 59.36 58.97 1i50 h GLU 567 Cb 0.47 -0.07 -0.32 0.00 -0.10 0.00 0.00 28.75 28.73 1i50 h GLU 567 CO 0.02 0.21 0.45 -0.25 -1.16 0.00 0.00 179.01 178.28 1i50 n ASP 568 N -4.98 6.53 -4.45 1.42 8.00 -1.04 -4.99 116.55 117.05 1i50 n ASP 568 Ca 0.01 -3.78 -0.34 0.00 0.71 0.00 0.00 54.79 51.40 1i50 n ASP 568 Cb 0.12 -0.88 -0.13 0.00 -0.02 0.00 0.00 41.12 40.21 1i50 n ASP 568 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1i50 s TYR 569 N -3.92 2.96 -0.30 1.24 5.04 -1.14 -4.84 117.35 116.40 1i50 s TYR 569 Ca 0.49 -0.44 0.02 0.00 -2.44 0.00 0.00 57.07 54.70 1i50 s TYR 569 Cb 0.39 -1.95 0.08 0.00 0.35 0.00 0.00 41.96 40.84 1i50 s TYR 569 CO -0.30 -0.13 0.01 0.08 -1.34 0.00 0.00 175.55 173.87 1i50 s VAL 570 N 0.47 1.83 0.09 3.14 1.01 -1.26 -5.04 120.40 120.65 1i50 s VAL 570 Ca -0.05 -1.79 -0.30 0.00 0.00 0.00 0.00 61.98 59.84 1i50 s VAL 570 Cb -0.15 -2.22 -0.13 0.00 0.00 0.00 0.00 36.38 33.88 1i50 s VAL 570 CO 0.03 -0.39 1.62 1.55 0.00 0.00 0.00 175.10 177.91 1i50 h PRO 571 N 7.80 -0.66 0.00 2.72 0.13 -1.89 -2.27 132.00 137.83 1i50 h PRO 571 Ca -0.12 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1i50 h PRO 571 Cb 1.04 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1i50 h PRO 571 CO 0.47 -0.44 0.20 -2.39 -0.23 0.00 0.00 178.00 175.62 1i50 n HIS 572 N -5.44 0.32 0.62 1.56 1.44 -1.26 -0.73 115.22 111.74 1i50 n HIS 572 Ca -0.10 0.17 0.10 0.00 -2.01 0.00 0.00 57.72 55.88 1i50 n HIS 572 Cb 0.34 -0.61 -0.13 0.00 0.12 0.00 0.00 29.99 29.71 1i50 n HIS 572 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1i50 n GLN 573 N -1.82 0.53 -2.81 -1.40 6.02 -0.87 -4.73 117.38 112.30 1i50 n GLN 573 Ca -0.01 -0.06 -0.10 0.00 -0.01 0.00 0.00 57.00 56.82 1i50 n GLN 573 Cb 0.22 -1.45 0.05 0.00 1.02 0.00 0.00 30.24 30.08 1i50 n GLN 573 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1i50 n SER 574 N -1.71 -2.16 0.28 1.08 3.41 0.09 -5.01 113.62 109.60 1i50 n SER 574 Ca 0.01 -3.41 0.11 0.00 -0.26 0.00 0.00 58.87 55.32 1i50 n SER 574 Cb 0.38 1.52 0.75 0.00 -0.26 0.00 0.00 64.21 66.60 1i50 n SER 574 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1i50 h PRO 575 N 3.50 0.00 0.00 4.33 0.13 -1.80 -2.59 132.00 135.57 1i50 h PRO 575 Ca -0.09 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.97 1i50 h PRO 575 Cb 1.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1i50 h PRO 575 CO 0.27 0.00 -0.31 -0.44 -0.23 0.00 0.00 178.00 177.29 1i50 h ASP 576 N 0.00 0.00 -1.03 1.44 3.32 -1.95 -3.46 116.42 114.74 1i50 h ASP 576 Ca -0.00 0.00 -0.77 0.00 0.02 0.00 0.00 57.03 56.28 1i50 h ASP 576 Cb 0.00 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.61 1i50 h ASP 576 CO 0.00 0.31 -0.00 0.00 -1.72 0.00 0.00 179.24 177.83 1i50 n ALA 577 N -2.26 -3.45 -2.61 3.45 0.00 -0.98 -4.94 120.51 109.73 1i50 n ALA 577 Ca 0.00 0.58 -0.39 0.00 0.00 0.00 0.00 53.44 53.63 1i50 n ALA 577 Cb 0.49 -1.75 -0.05 0.00 0.00 0.00 0.00 19.45 18.13 1i50 n ALA 577 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1i50 s THR 578 N -0.12 4.99 -0.06 0.00 2.01 -0.91 -4.85 115.64 116.70 1i50 s THR 578 Ca 0.87 1.33 -0.13 0.00 0.31 0.00 0.00 61.69 64.08 1i50 s THR 578 Cb -1.21 -3.98 -0.05 0.00 0.01 0.00 0.00 72.50 67.27 1i50 s THR 578 CO 0.57 0.33 0.32 0.00 -0.69 0.00 0.00 174.62 175.15 1i50 s ARG 579 N 0.36 3.86 -0.11 4.92 1.70 -0.44 -0.84 118.95 128.38 1i50 s ARG 579 Ca 0.34 0.23 -0.02 0.00 -0.47 0.00 0.00 55.73 55.81 1i50 s ARG 579 Cb -0.18 -3.25 -0.03 0.00 -0.57 0.00 0.00 34.95 30.92 1i50 s ARG 579 CO 0.17 0.63 -0.05 0.08 -1.08 0.00 0.00 175.30 175.05 1i50 s VAL 580 N -0.77 3.83 0.14 4.99 1.01 -0.71 -1.42 120.40 127.46 1i50 s VAL 580 Ca 0.20 -0.41 0.10 0.00 0.00 0.00 0.00 61.98 61.87 1i50 s VAL 580 Cb -0.15 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1i50 s VAL 580 CO 0.09 0.55 -0.23 -0.36 0.00 0.00 0.00 175.10 175.15 1i50 s PHE 581 N -0.21 2.03 -0.08 5.22 0.40 -0.06 -1.87 117.98 123.41 1i50 s PHE 581 Ca 0.03 -0.41 -0.02 0.00 -0.60 0.00 0.00 56.93 55.93 1i50 s PHE 581 Cb -0.13 -1.07 0.04 0.00 0.51 0.00 0.00 43.02 42.37 1i50 s PHE 581 CO 0.02 0.32 0.05 0.08 0.70 0.00 0.00 175.22 176.39 1i50 s VAL 582 N -1.40 0.07 -1.52 -0.44 1.01 0.06 -0.99 120.40 117.19 1i50 s VAL 582 Ca 0.13 0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.20 1i50 s VAL 582 Cb -0.09 -0.38 0.07 0.00 0.00 0.00 0.00 36.38 35.98 1i50 s VAL 582 CO 0.06 0.10 0.71 0.59 0.00 0.00 0.00 175.10 176.56 1i50 n ASN 583 N 5.24 -2.51 0.00 3.32 3.02 0.11 -1.06 115.26 123.38 1i50 n ASN 583 Ca -0.05 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 1i50 n ASN 583 Cb 0.50 -3.31 0.00 0.00 -0.61 0.00 0.00 39.78 36.36 1i50 n ASN 583 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i50 n GLY 584 N -1.68 3.01 3.70 7.41 0.00 -1.26 -4.94 105.19 111.43 1i50 n GLY 584 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 1i50 n GLY 584 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i50 s VAL 585 N -1.90 5.10 -0.54 1.61 1.01 -0.23 -4.95 120.40 120.50 1i50 s VAL 585 Ca 0.00 1.17 -0.28 0.00 0.00 0.00 0.00 61.98 62.88 1i50 s VAL 585 Cb 0.00 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.49 1i50 s VAL 585 CO 0.00 0.24 1.13 0.86 0.00 0.00 0.00 175.10 177.33 1i50 s TRP 586 N 1.03 2.71 -0.13 5.22 -0.00 -1.26 -0.76 118.94 125.75 1i50 s TRP 586 Ca 0.30 0.44 0.17 0.00 -0.00 0.00 0.00 56.10 57.02 1i50 s TRP 586 Cb -0.16 -4.40 -0.14 0.00 -0.00 0.00 0.00 33.47 28.77 1i50 s TRP 586 CO 0.13 -1.43 0.78 0.72 -0.00 0.00 0.00 176.95 177.15 1i50 n HIS 587 N 8.06 0.90 -2.09 5.86 8.25 -0.78 -4.94 115.22 130.48 1i50 n HIS 587 Ca 0.08 0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.84 1i50 n HIS 587 Cb 0.49 -1.06 0.00 0.00 1.12 0.00 0.00 29.99 30.54 1i50 n HIS 587 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i50 n GLY 588 N 1.40 -0.59 3.25 -1.41 0.00 -1.22 -3.09 105.19 103.53 1i50 n GLY 588 Ca -0.10 -0.68 -0.15 0.00 0.00 0.00 0.00 46.02 45.09 1i50 n GLY 588 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i50 s VAL 589 N -3.39 1.20 -0.26 1.61 1.01 -0.65 -1.74 120.40 118.17 1i50 s VAL 589 Ca 0.00 -2.04 -0.07 0.00 0.00 0.00 0.00 61.98 59.87 1i50 s VAL 589 Cb 0.00 -1.82 0.12 0.00 0.00 0.00 0.00 36.38 34.68 1i50 s VAL 589 CO 0.00 -0.72 0.55 -2.28 0.00 0.00 0.00 175.10 172.65 1i50 s HIS 590 N -3.22 -1.17 0.42 5.22 5.04 -0.02 -0.27 115.29 121.29 1i50 s HIS 590 Ca 0.16 1.91 -0.20 0.00 -1.54 0.00 0.00 55.06 55.39 1i50 s HIS 590 Cb 0.02 0.57 -0.10 0.00 0.04 0.00 0.00 32.58 33.10 1i50 s HIS 590 CO 0.01 -0.64 0.92 1.03 -2.34 0.00 0.00 174.74 173.73 1i50 s ARG 591 N 2.78 4.17 -0.99 2.88 0.52 -1.26 -2.14 118.95 124.91 1i50 s ARG 591 Ca -0.00 1.04 -0.10 0.00 -0.52 0.00 0.00 55.73 56.15 1i50 s ARG 591 Cb -0.13 -2.21 -0.02 0.00 0.52 0.00 0.00 34.95 33.12 1i50 s ARG 591 CO -0.17 -0.03 0.78 0.09 0.02 0.00 0.00 175.30 175.99 1i50 n ASN 592 N -0.70 -6.16 0.24 0.23 3.02 -1.26 -4.87 115.26 105.76 1i50 n ASN 592 Ca 0.06 -0.72 0.12 0.00 -0.03 0.00 0.00 54.58 54.02 1i50 n ASN 592 Cb 0.54 -4.03 0.53 0.00 -0.61 0.00 0.00 39.78 36.21 1i50 n ASN 592 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1i50 h PRO 593 N -0.97 0.00 -0.73 3.52 0.13 -1.97 -3.32 132.00 128.66 1i50 h PRO 593 Ca -0.49 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.77 1i50 h PRO 593 Cb 1.27 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.27 1i50 h PRO 593 CO 0.42 0.14 -0.30 0.00 -0.23 0.00 0.00 178.00 178.03 1i50 h ALA 594 N 1.86 0.17 0.00 -0.56 0.00 -1.95 0.10 119.26 118.88 1i50 h ALA 594 Ca -0.00 0.23 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1i50 h ALA 594 Cb 0.67 0.76 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1i50 h ALA 594 CO 0.02 -0.58 -0.39 0.00 0.00 0.00 0.00 179.25 178.30 1i50 h ARG 595 N -0.08 0.00 -0.22 0.00 3.08 -1.96 -1.99 114.38 113.21 1i50 h ARG 595 Ca 0.30 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.24 1i50 h ARG 595 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 1i50 h ARG 595 CO -0.78 0.39 -0.28 1.25 -1.07 0.00 0.00 179.97 179.48 1i50 h LEU 596 N 0.00 0.62 -1.08 3.04 5.85 -1.33 -2.29 115.31 120.12 1i50 h LEU 596 Ca -0.00 -0.50 -0.05 0.00 0.84 0.00 0.00 57.88 58.16 1i50 h LEU 596 Cb 0.81 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1i50 h LEU 596 CO 0.05 1.00 0.07 -0.03 -0.34 0.00 0.00 178.44 179.19 1i50 h MET 597 N 0.26 0.73 0.42 1.25 4.05 -0.87 0.28 114.93 121.04 1i50 h MET 597 Ca 0.03 -0.16 -0.02 0.00 -0.28 0.00 0.00 59.70 59.27 1i50 h MET 597 Cb 0.85 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.55 1i50 h MET 597 CO 0.07 0.69 -0.20 0.93 0.23 0.00 0.00 176.91 178.63 1i50 h GLU 598 N 0.70 -0.54 -0.36 0.39 5.08 -1.27 -1.24 114.58 117.33 1i50 h GLU 598 Ca 0.15 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.59 1i50 h GLU 598 Cb 0.32 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 1i50 h GLU 598 CO 0.00 -0.35 0.14 1.15 -1.00 0.00 0.00 179.01 178.96 1i50 h THR 599 N -0.58 0.92 -0.60 1.13 2.02 -1.03 -1.53 112.91 113.24 1i50 h THR 599 Ca -0.06 -0.10 0.08 0.00 0.77 0.00 0.00 66.41 67.10 1i50 h THR 599 Cb 0.44 0.59 -0.06 0.00 -1.74 0.00 0.00 68.15 67.38 1i50 h THR 599 CO 0.09 0.05 0.25 -0.07 0.37 0.00 0.00 175.52 176.22 1i50 h LEU 600 N 0.30 0.30 -0.93 2.58 3.38 -0.27 0.97 115.31 121.64 1i50 h LEU 600 Ca 0.16 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 1i50 h LEU 600 Cb 0.12 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1i50 h LEU 600 CO -0.15 0.19 -0.01 0.03 0.09 0.00 0.00 178.44 178.59 1i50 h ARG 601 N 0.46 0.78 -0.49 1.13 3.08 -0.84 -2.40 114.38 116.10 1i50 h ARG 601 Ca 0.29 -0.21 -0.11 0.00 0.07 0.00 0.00 59.98 60.02 1i50 h ARG 601 Cb 0.31 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1i50 h ARG 601 CO -0.26 0.79 -0.13 1.15 -1.07 0.00 0.00 179.97 180.44 1i50 h THR 602 N 0.73 1.27 -0.64 2.04 2.02 -0.26 -0.88 112.91 117.19 1i50 h THR 602 Ca 0.14 -1.28 -0.05 0.00 0.77 0.00 0.00 66.41 65.99 1i50 h THR 602 Cb 0.45 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 1i50 h THR 602 CO 0.02 0.44 0.20 -0.07 0.37 0.00 0.00 175.52 176.48 1i50 h LEU 603 N 0.81 0.93 -0.68 2.58 3.38 -0.65 -1.21 115.31 120.47 1i50 h LEU 603 Ca 0.12 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.74 1i50 h LEU 603 Cb 0.70 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1i50 h LEU 603 CO 0.05 0.89 -0.59 -0.09 0.09 0.00 0.00 178.44 178.79 1i50 h ARG 604 N 0.92 0.22 0.00 1.13 2.43 -1.37 0.11 114.38 117.82 1i50 h ARG 604 Ca 0.21 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1i50 h ARG 604 Cb 0.29 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1i50 h ARG 604 CO -0.01 0.74 0.00 0.00 -1.51 0.00 0.00 179.97 179.20 1i50 h ARG 605 N 0.16 0.00 0.10 0.20 3.08 -0.78 -3.01 114.38 114.13 1i50 h ARG 605 Ca -0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.76 1i50 h ARG 605 Cb 1.08 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 1i50 h ARG 605 CO 0.09 0.00 -1.52 0.87 -1.07 0.00 0.00 179.97 178.34 1i50 h LYS 606 N 0.00 0.21 0.00 0.04 1.57 -1.02 -2.74 116.57 114.63 1i50 h LYS 606 Ca 0.00 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1i50 h LYS 606 Cb 0.61 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1i50 h LYS 606 CO 0.00 1.17 0.00 0.41 -0.57 0.00 0.00 179.45 180.46 1i50 n GLY 607 N 1.75 0.56 0.29 3.86 0.00 -0.50 -4.69 105.19 106.45 1i50 n GLY 607 Ca -0.28 0.00 0.18 0.00 0.00 0.00 0.00 46.02 45.92 1i50 n GLY 607 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1i50 h ASP 608 N 0.00 0.00 -3.29 1.61 3.32 -1.09 -3.38 116.42 113.60 1i50 h ASP 608 Ca 0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 1i50 h ASP 608 Cb 0.00 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 39.23 1i50 h ASP 608 CO 0.00 0.03 -0.85 -0.63 -1.72 0.00 0.00 179.24 176.07 1i50 s ILE 609 N -3.82 2.31 0.10 0.35 1.01 -0.95 -4.93 121.20 115.27 1i50 s ILE 609 Ca -0.01 -0.91 -0.34 0.00 0.00 0.00 0.00 60.65 59.39 1i50 s ILE 609 Cb 0.10 -1.92 -0.13 0.00 0.01 0.00 0.00 42.46 40.52 1i50 s ILE 609 CO 0.53 0.54 1.67 -3.20 0.00 0.00 0.00 174.94 174.48 1i50 n ASN 610 N 3.77 3.28 -0.34 3.58 2.85 -1.26 -4.28 115.26 122.85 1i50 n ASN 610 Ca -0.19 1.05 0.25 0.00 -0.11 0.00 0.00 54.58 55.58 1i50 n ASN 610 Cb 0.52 -1.43 0.50 0.00 1.24 0.00 0.00 39.78 40.61 1i50 n ASN 610 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1i50 h PRO 611 N 6.94 0.30 -0.26 1.20 0.11 -1.88 0.85 132.00 139.25 1i50 h PRO 611 Ca -0.46 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.71 1i50 h PRO 611 Cb 1.25 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1i50 h PRO 611 CO 0.91 0.20 0.21 1.49 -0.21 0.00 0.00 178.00 180.60 1i50 h GLU 612 N 0.31 0.00 -6.85 1.05 4.81 -1.94 -3.42 114.58 108.54 1i50 h GLU 612 Ca 0.73 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 59.44 1i50 h GLU 612 Cb 1.75 0.00 0.07 0.00 0.63 0.00 0.00 28.75 31.21 1i50 h GLU 612 CO -0.56 0.00 0.73 0.08 -0.73 0.00 0.00 179.01 178.53 1i50 s VAL 613 N -4.91 2.49 -0.16 0.32 1.01 0.29 -4.95 120.40 114.50 1i50 s VAL 613 Ca -0.05 0.46 -0.03 0.00 0.00 0.00 0.00 61.98 62.36 1i50 s VAL 613 Cb 0.17 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 1i50 s VAL 613 CO 0.65 0.10 -0.05 -0.55 0.00 0.00 0.00 175.10 175.25 1i50 s SER 614 N -0.05 4.66 -0.11 3.32 0.15 -0.67 -4.98 113.70 116.01 1i50 s SER 614 Ca 0.54 -0.18 0.01 0.00 0.70 0.00 0.00 55.95 57.02 1i50 s SER 614 Cb -0.43 -1.76 0.02 0.00 -1.71 0.00 0.00 66.02 62.15 1i50 s SER 614 CO 0.52 0.15 -0.12 -0.04 1.20 0.00 0.00 173.24 174.95 1i50 s MET 615 N 0.47 1.88 -0.04 5.44 -1.94 -1.26 -0.07 119.30 123.79 1i50 s MET 615 Ca -0.04 -0.42 0.03 0.00 -1.71 0.00 0.00 55.69 53.55 1i50 s MET 615 Cb -0.14 -1.74 0.00 0.00 2.01 0.00 0.00 34.83 34.96 1i50 s MET 615 CO 0.03 -0.16 -0.14 0.42 -0.01 0.00 0.00 175.02 175.16 1i50 s ILE 616 N 1.31 1.17 -0.10 2.53 1.01 0.24 -4.89 121.20 122.47 1i50 s ILE 616 Ca -0.01 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.11 1i50 s ILE 616 Cb -0.14 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.32 1i50 s ILE 616 CO -0.05 0.35 -0.22 -0.60 0.00 0.00 0.00 174.94 174.42 1i50 s ARG 617 N 0.17 2.82 -0.47 2.79 3.52 -1.26 -0.11 118.95 126.41 1i50 s ARG 617 Ca -0.05 -0.80 -0.07 0.00 -0.13 0.00 0.00 55.73 54.68 1i50 s ARG 617 Cb -0.11 -2.18 0.12 0.00 -1.56 0.00 0.00 34.95 31.22 1i50 s ARG 617 CO 0.02 0.12 0.32 0.34 -0.81 0.00 0.00 175.30 175.29 1i50 s ASP 618 N 0.49 5.58 0.11 -2.12 -1.08 0.11 -4.91 116.67 114.86 1i50 s ASP 618 Ca -0.16 -2.01 -0.25 0.00 -0.52 0.00 0.00 52.55 49.61 1i50 s ASP 618 Cb -0.17 -1.96 -0.08 0.00 -1.46 0.00 0.00 42.92 39.25 1i50 s ASP 618 CO 0.06 -0.64 1.67 0.40 0.52 0.00 0.00 175.17 177.18 1i50 h ILE 619 N 6.12 0.60 -0.00 4.11 2.04 -1.98 -1.29 117.51 127.10 1i50 h ILE 619 Ca -0.17 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.59 1i50 h ILE 619 Cb 1.06 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1i50 h ILE 619 CO 0.81 0.00 -0.45 0.03 0.00 0.00 0.00 178.15 178.54 1i50 h ARG 620 N -0.30 0.01 -0.00 2.37 3.08 -1.96 -2.90 114.38 114.67 1i50 h ARG 620 Ca 0.04 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1i50 h ARG 620 Cb 0.35 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1i50 h ARG 620 CO -0.14 0.46 -0.10 -1.91 -1.07 0.00 0.00 179.97 177.21 1i50 n GLU 621 N -4.00 0.66 -3.14 0.04 4.07 -1.05 -4.95 120.64 112.28 1i50 n GLU 621 Ca -0.02 -0.21 -0.23 0.00 -0.06 0.00 0.00 57.16 56.65 1i50 n GLU 621 Cb 0.47 -1.50 0.04 0.00 -0.06 0.00 0.00 31.44 30.40 1i50 n GLU 621 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1i50 n LYS 622 N -0.99 -5.42 -4.17 5.31 5.02 -0.51 -4.97 118.16 112.42 1i50 n LYS 622 Ca 0.14 0.89 -0.17 0.00 -2.02 0.00 0.00 58.31 57.15 1i50 n LYS 622 Cb 0.27 -5.78 -0.12 0.00 -0.02 0.00 0.00 35.03 29.38 1i50 n LYS 622 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1i50 s GLU 623 N -5.83 0.72 -0.24 1.97 2.02 -1.05 -1.33 118.70 114.95 1i50 s GLU 623 Ca 0.36 -0.80 -0.01 0.00 0.02 0.00 0.00 54.97 54.54 1i50 s GLU 623 Cb -0.16 -0.64 0.07 0.00 0.10 0.00 0.00 34.13 33.50 1i50 s GLU 623 CO 0.45 0.14 0.03 -1.17 0.02 0.00 0.00 175.26 174.73 1i50 s LEU 624 N -1.45 1.88 -0.15 1.80 2.96 -0.50 0.06 118.68 123.27 1i50 s LEU 624 Ca -0.04 -1.17 -0.04 0.00 -0.22 0.00 0.00 54.13 52.66 1i50 s LEU 624 Cb -0.09 -0.83 -0.03 0.00 0.50 0.00 0.00 46.19 45.74 1i50 s LEU 624 CO 0.01 -0.32 -0.01 -0.54 -1.32 0.00 0.00 176.35 174.17 1i50 s LYS 625 N 1.66 3.67 -0.07 1.98 1.02 0.84 -0.89 119.74 127.96 1i50 s LYS 625 Ca 0.01 -0.46 0.05 0.00 0.02 0.00 0.00 55.97 55.59 1i50 s LYS 625 Cb -0.18 -2.98 -0.01 0.00 -0.52 0.00 0.00 37.83 34.15 1i50 s LYS 625 CO -0.13 0.31 -0.23 0.42 -0.92 0.00 0.00 175.35 174.80 1i50 s ILE 626 N 0.21 2.19 -0.05 2.17 1.01 -0.16 -0.59 121.20 125.97 1i50 s ILE 626 Ca -0.00 -1.01 0.05 0.00 0.00 0.00 0.00 60.65 59.69 1i50 s ILE 626 Cb -0.13 -1.81 -0.01 0.00 0.01 0.00 0.00 42.46 40.52 1i50 s ILE 626 CO 0.02 0.57 -0.22 -0.36 0.00 0.00 0.00 174.94 174.95 1i50 s PHE 627 N -0.11 2.19 0.00 3.97 0.40 0.91 0.08 117.98 125.41 1i50 s PHE 627 Ca -0.05 -0.65 0.00 0.00 -0.60 0.00 0.00 56.93 55.63 1i50 s PHE 627 Cb -0.14 -1.44 0.00 0.00 0.51 0.00 0.00 43.02 41.94 1i50 s PHE 627 CO 0.04 -0.20 0.00 2.41 0.70 0.00 0.00 175.22 178.17 1i50 n THR 628 N 3.03 0.00 -0.94 0.64 -1.04 -1.26 -1.67 114.28 113.03 1i50 n THR 628 Ca -0.18 -0.27 -0.30 0.00 -2.04 0.00 0.00 64.05 61.27 1i50 n THR 628 Cb 0.52 0.83 0.16 0.00 -1.82 0.00 0.00 70.33 70.03 1i50 n THR 628 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1i50 s ASP 629 N -0.91 2.96 0.74 8.00 -4.77 -1.26 -1.85 116.67 119.57 1i50 s ASP 629 Ca 0.00 1.73 -0.07 0.00 -3.30 0.00 0.00 52.55 50.92 1i50 s ASP 629 Cb 0.00 -2.35 0.09 0.00 -1.09 0.00 0.00 42.92 39.56 1i50 s ASP 629 CO 0.00 -3.00 1.05 0.00 0.70 0.00 0.00 175.17 173.92 1i50 s ALA 630 N -2.76 3.13 0.00 2.11 0.00 -1.26 -4.41 121.76 118.56 1i50 s ALA 630 Ca 0.65 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1i50 s ALA 630 Cb -0.21 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.38 1i50 s ALA 630 CO 0.59 -1.46 0.00 0.41 0.00 0.00 0.00 175.76 175.30 1i50 n GLY 631 N -3.01 1.94 3.70 0.00 0.00 -0.64 -4.88 105.19 102.30 1i50 n GLY 631 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1i50 n GLY 631 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i50 s ARG 632 N -0.38 4.43 0.03 1.61 0.52 -1.26 -0.85 118.95 123.05 1i50 s ARG 632 Ca 0.00 1.58 -0.20 0.00 -0.52 0.00 0.00 55.73 56.59 1i50 s ARG 632 Cb 0.00 -3.49 -0.06 0.00 0.52 0.00 0.00 34.95 31.92 1i50 s ARG 632 CO 0.00 -0.29 0.57 0.08 0.02 0.00 0.00 175.30 175.68 1i50 s VAL 633 N 1.67 4.84 0.13 3.52 1.01 -1.26 -0.18 120.40 130.12 1i50 s VAL 633 Ca 0.54 1.22 -0.10 0.00 0.00 0.00 0.00 61.98 63.64 1i50 s VAL 633 Cb -0.24 -3.91 -0.00 0.00 0.00 0.00 0.00 36.38 32.24 1i50 s VAL 633 CO 0.24 0.49 0.27 -0.72 0.00 0.00 0.00 175.10 175.37 1i50 s TYR 634 N -0.63 0.22 0.21 5.22 -0.85 -0.03 -3.98 117.35 117.51 1i50 s TYR 634 Ca 0.30 -0.61 0.02 0.00 -0.52 0.00 0.00 57.07 56.26 1i50 s TYR 634 Cb -0.19 -0.01 -0.05 0.00 0.38 0.00 0.00 41.96 42.09 1i50 s TYR 634 CO 0.18 -0.65 0.04 -0.98 -1.52 0.00 0.00 175.55 172.61 1i50 s ARG 635 N -3.91 1.25 -0.09 -3.49 1.70 -0.44 -0.69 118.95 113.29 1i50 s ARG 635 Ca 0.11 -1.63 -0.06 0.00 -0.47 0.00 0.00 55.73 53.67 1i50 s ARG 635 Cb 0.04 -0.29 -0.04 0.00 -0.57 0.00 0.00 34.95 34.09 1i50 s ARG 635 CO -0.06 -0.19 0.15 -1.25 -1.08 0.00 0.00 175.30 172.87 1i50 s PRO 636 N -3.96 3.42 0.21 3.89 0.04 -1.26 0.89 135.00 138.23 1i50 s PRO 636 Ca 0.30 -0.19 0.05 0.00 0.04 0.00 0.00 61.00 61.19 1i50 s PRO 636 Cb 0.07 -3.15 -0.05 0.00 0.04 0.00 0.00 34.50 31.41 1i50 s PRO 636 CO 0.08 0.75 -0.06 -0.51 0.04 0.00 0.00 177.00 177.30 1i50 s LEU 637 N -1.29 2.37 0.24 -3.56 1.43 -0.19 -4.63 118.68 113.05 1i50 s LEU 637 Ca 0.18 -1.13 -0.29 0.00 -1.03 0.00 0.00 54.13 51.86 1i50 s LEU 637 Cb -0.12 -0.39 -0.09 0.00 0.03 0.00 0.00 46.19 45.62 1i50 s LEU 637 CO 0.08 -0.40 0.92 -0.36 0.23 0.00 0.00 176.35 176.83 1i50 s PHE 638 N -3.29 3.97 0.00 0.29 2.99 -0.17 -1.79 117.98 119.98 1i50 s PHE 638 Ca 0.24 1.88 -0.20 0.00 0.00 0.00 0.00 56.93 58.85 1i50 s PHE 638 Cb 0.04 -2.95 -0.05 0.00 0.00 0.00 0.00 43.02 40.05 1i50 s PHE 638 CO 0.06 0.45 0.59 0.42 -0.00 0.00 0.00 175.22 176.75 1i50 s ILE 639 N -1.20 4.89 -0.59 0.64 1.01 -0.95 -0.92 121.20 124.07 1i50 s ILE 639 Ca 0.41 1.24 0.06 0.00 0.00 0.00 0.00 60.65 62.35 1i50 s ILE 639 Cb -0.25 -3.92 0.31 0.00 0.01 0.00 0.00 42.46 38.60 1i50 s ILE 639 CO 0.31 0.44 0.86 0.52 0.00 0.00 0.00 174.94 177.07 1i50 n VAL 640 N 2.60 2.64 -2.72 2.92 0.31 -0.44 -2.21 118.33 121.44 1i50 n VAL 640 Ca -0.07 -5.39 -0.29 0.00 -0.01 0.00 0.00 64.34 58.57 1i50 n VAL 640 Cb 0.51 -1.62 -0.01 0.00 -0.91 0.00 0.00 33.84 31.80 1i50 n VAL 640 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1i50 s GLU 641 N -3.04 3.65 -0.72 5.55 0.41 -1.25 -4.38 118.70 118.92 1i50 s GLU 641 Ca 0.45 0.34 -0.00 0.00 -0.41 0.00 0.00 54.97 55.35 1i50 s GLU 641 Cb 0.23 -2.38 0.38 0.00 -1.78 0.00 0.00 34.13 30.59 1i50 s GLU 641 CO -0.09 -0.13 1.83 -0.40 -0.49 0.00 0.00 175.26 175.98 1i50 n ASP 642 N -1.82 6.96 -0.35 -0.19 5.75 -1.26 -3.85 116.55 121.79 1i50 n ASP 642 Ca 0.02 -3.81 0.03 0.00 -0.01 0.00 0.00 54.79 51.02 1i50 n ASP 642 Cb 0.55 -0.92 0.08 0.00 -1.03 0.00 0.00 41.12 39.80 1i50 n ASP 642 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1i50 n ASP 643 N -0.60 1.00 -4.72 -1.12 8.00 -1.26 -4.77 116.55 113.08 1i50 n ASP 643 Ca 0.52 -2.01 -0.35 0.00 0.71 0.00 0.00 54.79 53.67 1i50 n ASP 643 Cb 0.41 -0.13 -0.08 0.00 -0.02 0.00 0.00 41.12 41.29 1i50 n ASP 643 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1i50 s GLU 644 N -1.75 3.82 0.00 -1.24 -6.30 -1.26 -5.05 118.70 106.92 1i50 s GLU 644 Ca 0.12 -0.27 0.00 0.00 -2.50 0.00 0.00 54.97 52.32 1i50 s GLU 644 Cb 0.06 -3.22 0.00 0.00 0.00 0.00 0.00 34.13 30.98 1i50 s GLU 644 CO 0.08 0.43 0.00 -1.13 0.02 0.00 0.00 175.26 174.66 1i50 n SER 645 N 3.05 0.00 0.00 -1.70 3.41 -1.26 -4.49 113.62 112.63 1i50 n SER 645 Ca -0.17 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 1i50 n SER 645 Cb 0.53 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1i50 n SER 645 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1i50 n LEU 646 N -1.43 0.00 0.00 1.04 4.77 -1.26 -3.97 117.00 116.15 1i50 n LEU 646 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1i50 n LEU 646 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1i50 n LEU 646 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1i50 n GLY 647 N -0.43 0.05 0.00 -0.72 0.00 -1.26 -5.18 105.19 97.64 1i50 n GLY 647 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1i50 n GLY 647 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1i50 n HIS 648 N -2.29 0.00 -2.72 1.61 1.44 -1.25 -5.12 115.22 106.88 1i50 n HIS 648 Ca 0.00 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 1i50 n HIS 648 Cb 0.00 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.08 1i50 n HIS 648 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1i50 s LYS 649 N 3.52 4.60 0.09 -1.40 1.02 -1.26 -4.63 119.74 121.67 1i50 s LYS 649 Ca 0.00 1.42 -0.01 0.00 0.02 0.00 0.00 55.97 57.40 1i50 s LYS 649 Cb 0.00 -3.44 -0.04 0.00 -0.52 0.00 0.00 37.83 33.83 1i50 s LYS 649 CO 0.00 0.03 0.00 -2.00 -0.92 0.00 0.00 175.35 172.46 1i50 s GLU 650 N 0.71 0.77 0.34 1.68 2.56 -1.25 -4.94 118.70 118.57 1i50 s GLU 650 Ca 0.50 -1.33 -0.27 0.00 0.00 0.00 0.00 54.97 53.88 1i50 s GLU 650 Cb -0.22 0.17 -0.09 0.00 2.00 0.00 0.00 34.13 35.99 1i50 s GLU 650 CO 0.28 -0.16 1.13 -0.51 -0.56 0.00 0.00 175.26 175.44 1i50 s LEU 651 N -2.99 4.35 0.51 2.70 1.43 -1.26 -3.93 118.68 119.49 1i50 s LEU 651 Ca 0.15 2.29 0.32 0.00 -1.03 0.00 0.00 54.13 55.85 1i50 s LEU 651 Cb 0.08 -3.85 1.29 0.00 0.03 0.00 0.00 46.19 43.74 1i50 s LEU 651 CO -0.05 -0.41 1.94 0.11 0.23 0.00 0.00 176.35 178.18 1i50 h LYS 652 N 3.17 0.00 -6.24 1.70 1.57 -1.74 -3.42 116.57 111.61 1i50 h LYS 652 Ca -0.48 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 57.74 1i50 h LYS 652 Cb 1.22 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.49 1i50 h LYS 652 CO 0.65 0.00 0.54 0.14 -0.57 0.00 0.00 179.45 180.20 1i50 s VAL 653 N -3.61 4.80 0.37 0.50 -7.23 -1.26 -5.00 120.40 108.97 1i50 s VAL 653 Ca 0.02 2.01 0.08 0.00 -1.81 0.00 0.00 61.98 62.28 1i50 s VAL 653 Cb 0.09 -4.30 -0.06 0.00 0.56 0.00 0.00 36.38 32.66 1i50 s VAL 653 CO 0.52 0.02 0.00 -0.13 -0.31 0.00 0.00 175.10 175.20 1i50 s ARG 654 N 1.96 1.99 0.40 4.82 1.81 -1.26 -4.09 118.95 124.57 1i50 s ARG 654 Ca 0.48 -1.92 0.18 0.00 -1.72 0.00 0.00 55.73 52.74 1i50 s ARG 654 Cb -0.18 -1.79 1.08 0.00 -0.45 0.00 0.00 34.95 33.61 1i50 s ARG 654 CO 0.18 0.05 1.79 0.87 -0.68 0.00 0.00 175.30 177.51 1i50 h LYS 655 N 1.81 0.41 -0.62 3.54 1.79 -1.22 0.16 116.57 122.44 1i50 h LYS 655 Ca -0.43 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.01 1i50 h LYS 655 Cb 1.25 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 31.78 1i50 h LYS 655 CO 0.72 0.27 0.37 0.78 -1.08 0.00 0.00 179.45 180.51 1i50 h GLY 656 N 0.42 0.89 0.73 3.86 0.00 -1.68 -0.01 103.07 107.27 1i50 h GLY 656 Ca 0.57 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.51 1i50 h GLY 656 CO -0.27 0.35 -0.04 0.45 0.00 0.00 0.00 176.54 177.02 1i50 h HIS 657 N 0.85 0.29 -0.07 5.60 3.86 -0.90 -2.61 115.15 122.17 1i50 h HIS 657 Ca 0.22 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.35 1i50 h HIS 657 Cb -0.03 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 1i50 h HIS 657 CO 0.00 0.57 -0.04 0.82 0.86 0.00 0.00 177.93 180.14 1i50 h ILE 658 N -0.08 1.08 -0.47 2.45 2.04 -1.26 -0.72 117.51 120.55 1i50 h ILE 658 Ca 0.03 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1i50 h ILE 658 Cb 0.48 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1i50 h ILE 658 CO 0.02 0.10 0.24 0.00 0.00 0.00 0.00 178.15 178.50 1i50 h ALA 659 N 1.87 0.61 -0.58 1.87 0.00 -0.75 0.80 119.26 123.08 1i50 h ALA 659 Ca 0.02 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1i50 h ALA 659 Cb 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1i50 h ALA 659 CO 0.01 0.16 0.04 0.87 0.00 0.00 0.00 179.25 180.32 1i50 h LYS 660 N 0.62 1.00 0.48 0.00 1.57 -0.90 0.01 116.57 119.35 1i50 h LYS 660 Ca 0.16 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1i50 h LYS 660 Cb 0.09 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1i50 h LYS 660 CO -0.02 0.97 -0.34 -0.07 -0.57 0.00 0.00 179.45 179.42 1i50 h LEU 661 N 0.89 -0.87 -1.90 2.94 3.38 -0.62 -1.31 115.31 117.82 1i50 h LEU 661 Ca 0.17 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1i50 h LEU 661 Cb 0.50 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1i50 h LEU 661 CO 0.02 -0.51 0.00 0.24 0.09 0.00 0.00 178.44 178.28 1i50 h MET 662 N -0.79 0.00 -0.13 1.13 2.86 -0.78 -1.72 114.93 115.50 1i50 h MET 662 Ca -0.05 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.43 1i50 h MET 662 Cb 0.67 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.33 1i50 h MET 662 CO 0.02 0.00 -0.53 0.00 1.06 0.00 0.00 176.91 177.46 1i50 h ALA 663 N 2.04 0.24 -0.20 6.32 0.00 -0.20 -2.12 119.26 125.34 1i50 h ALA 663 Ca 0.00 -0.51 -0.09 0.00 0.00 0.00 0.00 54.91 54.31 1i50 h ALA 663 Cb 0.25 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1i50 h ALA 663 CO 0.00 0.44 -0.26 1.15 0.00 0.00 0.00 179.25 180.58 1i50 h THR 664 N 0.23 1.26 0.66 0.00 2.02 -0.41 -2.50 112.91 114.16 1i50 h THR 664 Ca -0.03 -1.21 -0.03 0.00 0.77 0.00 0.00 66.41 65.91 1i50 h THR 664 Cb 1.16 1.39 0.01 0.00 -1.74 0.00 0.00 68.15 68.97 1i50 h THR 664 CO 0.11 0.38 -0.32 -0.33 0.37 0.00 0.00 175.52 175.73 1i50 h GLU 665 N 0.33 -0.85 -1.27 6.66 5.08 -1.27 -2.92 114.58 120.33 1i50 h GLU 665 Ca 0.05 0.06 0.41 0.00 -1.00 0.00 0.00 59.36 58.88 1i50 h GLU 665 Cb 0.63 0.19 -0.13 0.00 0.50 0.00 0.00 28.75 29.95 1i50 h GLU 665 CO 0.05 -0.57 0.81 -0.92 -1.00 0.00 0.00 179.01 177.38 1i50 h TYR 666 N -0.93 0.56 0.00 4.33 3.20 -1.29 -0.63 116.97 122.21 1i50 h TYR 666 Ca -0.09 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1i50 h TYR 666 Cb 0.68 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.81 1i50 h TYR 666 CO 0.07 -0.19 0.00 1.04 -1.64 0.00 0.00 178.16 177.44 1i50 n GLN 667 N -4.72 0.74 0.00 1.82 6.02 -0.95 -5.11 117.38 115.18 1i50 n GLN 667 Ca 0.36 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.35 1i50 n GLN 667 Cb 1.36 -1.13 0.00 0.00 1.02 0.00 0.00 30.24 31.49 1i50 n GLN 667 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1i50 n ASP 668 N 1.22 0.03 -3.33 1.08 8.00 -0.25 -5.05 116.55 118.25 1i50 n ASP 668 Ca 0.00 -1.01 -0.12 0.00 0.71 0.00 0.00 54.79 54.37 1i50 n ASP 668 Cb 0.37 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.40 1i50 n ASP 668 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1i50 s GLU 678 N -0.01 0.43 -0.14 -1.24 2.12 -1.26 -5.19 118.70 113.41 1i50 s GLU 678 Ca 0.00 -0.07 -0.22 0.00 0.36 0.00 0.00 54.97 55.04 1i50 s GLU 678 Cb 0.00 -0.43 -0.03 0.00 0.26 0.00 0.00 34.13 33.94 1i50 s GLU 678 CO 0.00 -1.06 0.68 -0.47 -0.54 0.00 0.00 175.26 173.87 1i50 s TYR 679 N 2.34 3.47 0.40 5.30 5.04 -1.26 -5.00 117.35 127.64 1i50 s TYR 679 Ca 0.11 1.10 0.03 0.00 -2.44 0.00 0.00 57.07 55.87 1i50 s TYR 679 Cb -0.13 -2.82 -0.03 0.00 0.35 0.00 0.00 41.96 39.33 1i50 s TYR 679 CO -0.27 -0.07 0.09 0.99 -1.34 0.00 0.00 175.55 174.96 1i50 s THR 680 N 1.46 0.83 0.17 4.34 2.01 -1.26 -4.69 115.64 118.50 1i50 s THR 680 Ca 0.33 -2.00 -0.15 0.00 0.31 0.00 0.00 61.69 60.19 1i50 s THR 680 Cb -0.17 -2.43 0.05 0.00 0.01 0.00 0.00 72.50 69.96 1i50 s THR 680 CO 0.13 0.00 1.78 -0.25 -0.69 0.00 0.00 174.62 175.59 1i50 h TRP 681 N 1.80 0.39 -0.06 4.92 2.91 -1.96 0.29 115.95 124.23 1i50 h TRP 681 Ca -0.38 0.02 0.02 0.00 1.13 0.00 0.00 58.89 59.68 1i50 h TRP 681 Cb 1.27 -0.11 -0.00 0.00 -0.51 0.00 0.00 29.16 29.81 1i50 h TRP 681 CO 1.29 0.19 0.07 0.77 -1.03 0.00 0.00 178.44 179.73 1i50 h SER 682 N 0.42 0.00 -0.18 2.65 0.02 -1.96 0.22 113.55 114.72 1i50 h SER 682 Ca 0.19 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 1i50 h SER 682 Cb 0.10 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 1i50 h SER 682 CO -0.14 0.00 -0.08 0.28 -1.14 0.00 0.00 176.83 175.75 1i50 h SER 683 N 0.00 0.39 -0.82 3.07 0.02 -1.35 0.10 113.55 114.96 1i50 h SER 683 Ca 0.03 -0.41 0.02 0.00 -0.84 0.00 0.00 61.79 60.59 1i50 h SER 683 Cb 0.16 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 1i50 h SER 683 CO -0.00 0.71 0.55 -0.07 -1.14 0.00 0.00 176.83 176.88 1i50 h LEU 684 N 0.07 0.93 0.09 5.07 3.38 -0.35 -0.73 115.31 123.77 1i50 h LEU 684 Ca 0.04 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1i50 h LEU 684 Cb 0.56 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1i50 h LEU 684 CO 0.03 0.66 -0.05 -0.07 0.09 0.00 0.00 178.44 179.10 1i50 h LEU 685 N 1.09 -0.11 -0.82 1.67 3.38 -1.02 -0.62 115.31 118.88 1i50 h LEU 685 Ca 0.31 -0.32 0.06 0.00 0.09 0.00 0.00 57.88 58.02 1i50 h LEU 685 Cb -0.08 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.63 1i50 h LEU 685 CO -0.07 0.28 0.50 0.78 0.09 0.00 0.00 178.44 180.02 1i50 h ASN 686 N -0.51 0.78 -0.15 -0.43 2.35 -0.37 -2.11 115.58 115.14 1i50 h ASN 686 Ca -0.01 0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 1i50 h ASN 686 Cb 0.43 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 1i50 h ASN 686 CO 0.02 0.49 0.07 -0.62 -1.65 0.00 0.00 177.43 175.75 1i50 n GLU 687 N -4.66 1.43 -3.53 0.81 1.02 -0.32 -4.22 120.64 111.17 1i50 n GLU 687 Ca 0.12 -0.56 -0.26 0.00 -0.02 0.00 0.00 57.16 56.44 1i50 n GLU 687 Cb 0.18 -1.39 -0.01 0.00 -0.02 0.00 0.00 31.44 30.21 1i50 n GLU 687 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i50 n GLY 688 N 0.16 -0.48 0.08 0.62 0.00 -0.79 -4.87 105.19 99.91 1i50 n GLY 688 Ca 0.09 0.10 0.01 0.00 0.00 0.00 0.00 46.02 46.22 1i50 n GLY 688 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i50 n LEU 689 N -3.88 0.43 -4.04 0.99 4.77 -0.25 -4.85 117.00 110.17 1i50 n LEU 689 Ca 0.00 0.19 -0.09 0.00 -0.03 0.00 0.00 56.01 56.08 1i50 n LEU 689 Cb 0.53 0.14 -0.11 0.00 -2.33 0.00 0.00 43.42 41.66 1i50 n LEU 689 CO 0.58 0.16 -0.37 -0.69 -1.33 0.00 0.00 177.39 175.75 1i50 s VAL 690 N -3.01 0.25 0.08 4.08 1.01 -1.17 -2.25 120.40 119.38 1i50 s VAL 690 Ca -0.06 -1.27 0.02 0.00 0.00 0.00 0.00 61.98 60.67 1i50 s VAL 690 Cb 0.09 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1i50 s VAL 690 CO 0.84 -0.66 -0.07 -1.61 0.00 0.00 0.00 175.10 173.60 1i50 s GLU 691 N -2.37 0.72 -0.12 2.72 2.02 -0.74 -4.58 118.70 116.36 1i50 s GLU 691 Ca -0.06 -1.13 -0.15 0.00 0.02 0.00 0.00 54.97 53.65 1i50 s GLU 691 Cb -0.04 -0.23 -0.05 0.00 0.10 0.00 0.00 34.13 33.92 1i50 s GLU 691 CO -0.04 0.00 0.35 0.71 0.02 0.00 0.00 175.26 176.31 1i50 s TYR 692 N -2.84 3.53 -0.05 1.61 4.12 -1.26 -1.03 117.35 121.43 1i50 s TYR 692 Ca 0.04 0.73 0.01 0.00 0.02 0.00 0.00 57.07 57.87 1i50 s TYR 692 Cb -0.00 -2.35 0.02 0.00 -1.52 0.00 0.00 41.96 38.11 1i50 s TYR 692 CO -0.03 0.33 -0.04 0.42 0.02 0.00 0.00 175.55 176.25 1i50 s ILE 693 N 0.12 0.56 0.39 2.71 1.01 0.26 -4.92 121.20 121.33 1i50 s ILE 693 Ca 0.20 -0.12 0.06 0.00 0.00 0.00 0.00 60.65 60.79 1i50 s ILE 693 Cb -0.14 -0.59 0.00 0.00 0.01 0.00 0.00 42.46 41.74 1i50 s ILE 693 CO 0.07 0.24 0.55 1.51 0.00 0.00 0.00 174.94 177.31 1i50 s ASP 694 N 1.03 5.80 0.33 3.58 1.47 -1.26 -1.33 116.67 126.29 1i50 s ASP 694 Ca -0.09 -0.19 0.08 0.00 1.18 0.00 0.00 52.55 53.53 1i50 s ASP 694 Cb -0.14 -1.06 0.77 0.00 -0.34 0.00 0.00 42.92 42.15 1i50 s ASP 694 CO -0.00 -0.63 1.83 0.00 0.68 0.00 0.00 175.17 177.05 1i50 h ALA 695 N 0.68 1.77 0.22 2.11 0.00 -1.90 0.53 119.26 122.66 1i50 h ALA 695 Ca -0.44 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1i50 h ALA 695 Cb 1.27 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1i50 h ALA 695 CO 0.51 -0.05 -0.12 1.49 0.00 0.00 0.00 179.25 181.07 1i50 h GLU 696 N 0.75 -0.31 -0.41 0.00 4.57 -1.92 -2.69 114.58 114.56 1i50 h GLU 696 Ca 0.50 0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.61 1i50 h GLU 696 Cb 0.78 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.42 1i50 h GLU 696 CO -0.26 -0.21 -0.13 1.49 -1.18 0.00 0.00 179.01 178.72 1i50 h GLU 697 N -0.32 0.74 -1.11 1.92 4.81 -1.76 -2.83 114.58 116.02 1i50 h GLU 697 Ca -0.02 -0.25 0.31 0.00 -0.13 0.00 0.00 59.36 59.27 1i50 h GLU 697 Cb 0.26 -0.06 -0.10 0.00 0.63 0.00 0.00 28.75 29.48 1i50 h GLU 697 CO 0.03 0.83 0.72 1.49 -0.73 0.00 0.00 179.01 181.35 1i50 h GLU 698 N 0.66 0.29 -0.94 1.92 4.81 -0.58 0.61 114.58 121.35 1i50 h GLU 698 Ca 0.11 -0.02 0.18 0.00 -0.13 0.00 0.00 59.36 59.50 1i50 h GLU 698 Cb 0.59 -0.07 -0.10 0.00 0.63 0.00 0.00 28.75 29.80 1i50 h GLU 698 CO 0.04 0.19 0.53 0.93 -0.73 0.00 0.00 179.01 179.97 1i50 h GLU 699 N 0.30 0.67 -0.17 1.92 4.39 -1.34 -2.59 114.58 117.75 1i50 h GLU 699 Ca 0.65 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.31 1i50 h GLU 699 Cb 1.80 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.30 1i50 h GLU 699 CO -0.32 0.44 0.00 -1.13 -1.16 0.00 0.00 179.01 176.84 1i50 n SER 700 N -4.83 1.24 -4.80 1.42 3.41 0.21 -4.95 113.62 105.33 1i50 n SER 700 Ca 0.21 -1.78 -0.31 0.00 -0.26 0.00 0.00 58.87 56.74 1i50 n SER 700 Cb 0.53 -0.11 -0.06 0.00 -0.26 0.00 0.00 64.21 64.31 1i50 n SER 700 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1i50 s ILE 701 N -1.78 1.34 -0.17 -1.33 -4.36 -0.98 -5.07 121.20 108.86 1i50 s ILE 701 Ca 0.25 -1.85 -0.02 0.00 -0.26 0.00 0.00 60.65 58.77 1i50 s ILE 701 Cb 0.13 -2.20 0.05 0.00 1.25 0.00 0.00 42.46 41.70 1i50 s ILE 701 CO 0.19 0.00 0.02 -0.22 0.24 0.00 0.00 174.94 175.17 1i50 s LEU 702 N -3.99 1.13 -0.16 0.37 2.96 -1.26 -5.03 118.68 112.70 1i50 s LEU 702 Ca 0.15 -0.67 -0.06 0.00 -0.22 0.00 0.00 54.13 53.33 1i50 s LEU 702 Cb 0.01 -0.60 -0.04 0.00 0.50 0.00 0.00 46.19 46.06 1i50 s LEU 702 CO 0.09 -0.27 0.05 -0.63 -1.32 0.00 0.00 176.35 174.27 1i50 s ILE 703 N 1.85 4.70 0.03 6.68 1.01 -1.26 -1.86 121.20 132.36 1i50 s ILE 703 Ca 0.00 -0.07 -0.20 0.00 0.00 0.00 0.00 60.65 60.38 1i50 s ILE 703 Cb -0.16 -3.09 -0.06 0.00 0.01 0.00 0.00 42.46 39.16 1i50 s ILE 703 CO -0.07 0.50 0.57 0.00 0.00 0.00 0.00 174.94 175.94 1i50 s ALA 704 N 0.06 3.54 0.00 9.38 0.00 -0.71 -4.93 121.76 129.10 1i50 s ALA 704 Ca 0.05 0.02 -0.24 0.00 0.00 0.00 0.00 51.96 51.79 1i50 s ALA 704 Cb -0.12 -2.68 -0.15 0.00 0.00 0.00 0.00 23.12 20.17 1i50 s ALA 704 CO 0.01 0.29 1.08 1.98 0.00 0.00 0.00 175.76 179.12 1i50 h MET 705 N 5.06 -0.61 -6.05 0.00 4.05 -1.92 -0.35 114.93 115.11 1i50 h MET 705 Ca -0.48 0.04 -0.68 0.00 -0.28 0.00 0.00 59.70 58.31 1i50 h MET 705 Cb 1.21 0.14 -0.20 0.00 -0.80 0.00 0.00 31.60 31.95 1i50 h MET 705 CO 0.66 -0.31 -0.70 -0.65 0.23 0.00 0.00 176.91 176.14 1i50 s GLN 706 N -4.41 2.84 0.50 0.39 -0.21 -1.26 -4.13 119.66 113.38 1i50 s GLN 706 Ca -0.13 -0.57 0.20 0.00 0.02 0.00 0.00 55.36 54.88 1i50 s GLN 706 Cb 0.02 -2.60 1.27 0.00 1.00 0.00 0.00 33.01 32.70 1i50 s GLN 706 CO 0.45 0.60 2.07 -1.00 -2.12 0.00 0.00 175.29 175.29 1i50 h PRO 707 N 5.46 0.00 -0.16 2.91 0.13 -1.86 -1.70 132.00 136.77 1i50 h PRO 707 Ca -0.46 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.72 1i50 h PRO 707 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1i50 h PRO 707 CO 0.53 0.11 0.13 0.93 -0.23 0.00 0.00 178.00 179.47 1i50 h GLU 708 N 0.00 0.00 0.00 0.86 5.08 -1.95 -0.25 114.58 118.32 1i50 h GLU 708 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1i50 h GLU 708 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1i50 h GLU 708 CO 0.01 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.77 1i50 n ASP 709 N -4.33 0.00 -1.09 1.42 8.00 -0.64 -2.37 116.55 117.54 1i50 n ASP 709 Ca 0.01 0.22 0.02 0.00 0.71 0.00 0.00 54.79 55.76 1i50 n ASP 709 Cb 0.26 -0.35 0.16 0.00 -0.02 0.00 0.00 41.12 41.17 1i50 n ASP 709 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1i50 n LEU 710 N -1.35 3.02 -4.72 0.64 4.77 -0.11 -4.71 117.00 114.53 1i50 n LEU 710 Ca 0.05 -1.53 -0.42 0.00 -0.03 0.00 0.00 56.01 54.09 1i50 n LEU 710 Cb 0.12 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 40.60 1i50 n LEU 710 CO 0.11 0.42 1.14 -1.61 -1.33 0.00 0.00 177.39 176.11 1i50 s GLU 711 N -1.71 4.27 0.64 3.23 2.02 -1.00 -4.90 118.70 121.25 1i50 s GLU 711 Ca 0.23 2.24 0.35 0.00 0.02 0.00 0.00 54.97 57.81 1i50 s GLU 711 Cb 0.17 -3.17 1.91 0.00 0.10 0.00 0.00 34.13 33.14 1i50 s GLU 711 CO 0.06 -0.49 2.13 -1.00 0.02 0.00 0.00 175.26 175.98 1i50 h PRO 712 N 6.33 0.00 0.00 0.39 0.13 -1.91 -3.50 132.00 133.44 1i50 h PRO 712 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1i50 h PRO 712 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1i50 h PRO 712 CO 0.86 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.38 1i50 n ASP 722 N -3.22 -1.57 -4.61 1.44 8.00 -1.26 -5.19 116.55 110.14 1i50 n ASP 722 Ca -0.01 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.15 1i50 n ASP 722 Cb 0.26 -0.80 -0.10 0.00 -0.02 0.00 0.00 41.12 40.46 1i50 n ASP 722 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1i50 s VAL 723 N -2.68 3.83 -0.30 2.53 1.01 -1.26 -5.05 120.40 118.48 1i50 s VAL 723 Ca 0.00 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.14 1i50 s VAL 723 Cb 0.00 -2.62 -0.07 0.00 0.00 0.00 0.00 36.38 33.69 1i50 s VAL 723 CO 0.00 0.51 2.25 -0.67 0.00 0.00 0.00 175.10 177.20 1i50 n ASP 724 N 1.91 2.79 0.11 3.32 -0.08 -1.26 -4.83 116.55 118.51 1i50 n ASP 724 Ca -0.17 0.15 0.10 0.00 -1.51 0.00 0.00 54.79 53.36 1i50 n ASP 724 Cb 0.53 -1.48 0.44 0.00 2.34 0.00 0.00 41.12 42.95 1i50 n ASP 724 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1i50 n PRO 725 N 8.66 0.13 0.08 -0.67 -0.04 -1.26 -2.32 135.00 139.58 1i50 n PRO 725 Ca 0.34 0.47 0.02 0.00 -0.04 0.00 0.00 63.50 64.29 1i50 n PRO 725 Cb 0.40 -1.81 -0.03 0.00 -0.04 0.00 0.00 33.50 32.02 1i50 n PRO 725 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i50 h ALA 726 N 2.19 0.65 -2.32 0.55 0.00 -2.03 -3.47 119.26 114.84 1i50 h ALA 726 Ca 0.00 -0.63 -0.48 0.00 0.00 0.00 0.00 54.91 53.80 1i50 h ALA 726 Cb 0.20 0.10 0.15 0.00 0.00 0.00 0.00 17.79 18.24 1i50 h ALA 726 CO 0.00 0.75 0.23 0.15 0.00 0.00 0.00 179.25 180.38 1i50 s LYS 727 N -2.96 1.13 0.62 0.00 1.02 -0.98 -4.87 119.74 113.71 1i50 s LYS 727 Ca 0.00 0.88 -0.10 0.00 0.02 0.00 0.00 55.97 56.78 1i50 s LYS 727 Cb 0.08 -1.79 -0.02 0.00 -0.52 0.00 0.00 37.83 35.59 1i50 s LYS 727 CO 0.78 -2.34 1.00 -0.98 -0.92 0.00 0.00 175.35 172.88 1i50 s ARG 728 N -4.88 3.28 -0.34 1.68 1.70 -1.26 -5.01 118.95 114.11 1i50 s ARG 728 Ca 0.64 0.48 -0.24 0.00 -0.47 0.00 0.00 55.73 56.15 1i50 s ARG 728 Cb -0.19 -2.13 0.01 0.00 -0.57 0.00 0.00 34.95 32.07 1i50 s ARG 728 CO 0.57 -0.67 0.80 0.42 -1.08 0.00 0.00 175.30 175.34 1i50 s ILE 729 N -3.14 4.74 0.26 4.99 1.01 -1.26 -5.05 121.20 122.75 1i50 s ILE 729 Ca 0.55 1.03 0.08 0.00 0.00 0.00 0.00 60.65 62.30 1i50 s ILE 729 Cb -0.11 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 1i50 s ILE 729 CO 0.51 -0.37 0.14 -0.13 0.00 0.00 0.00 174.94 175.09 1i50 s ARG 730 N 3.08 2.74 0.92 2.79 0.52 -1.26 -5.14 118.95 122.60 1i50 s ARG 730 Ca 0.32 -1.17 -0.13 0.00 -0.52 0.00 0.00 55.73 54.24 1i50 s ARG 730 Cb -0.13 -2.44 0.21 0.00 0.52 0.00 0.00 34.95 33.10 1i50 s ARG 730 CO 0.15 0.38 1.25 0.28 0.02 0.00 0.00 175.30 177.38 1i50 n VAL 731 N -1.10 0.00 -4.07 3.52 0.31 -1.26 -5.10 118.33 110.63 1i50 n VAL 731 Ca -0.07 -1.11 -0.28 0.00 -0.01 0.00 0.00 64.34 62.87 1i50 n VAL 731 Cb 0.58 -1.37 -0.06 0.00 -0.91 0.00 0.00 33.84 32.08 1i50 n VAL 731 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1i50 s SER 732 N -5.67 5.54 0.00 4.52 1.04 -1.26 -5.05 113.70 112.82 1i50 s SER 732 Ca 0.73 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 57.08 1i50 s SER 732 Cb -0.02 -1.47 0.00 0.00 0.10 0.00 0.00 66.02 64.63 1i50 s SER 732 CO 0.51 0.10 1.60 0.00 0.98 0.00 0.00 173.24 176.43 1i50 n HIS 733 N -0.08 0.00 -0.76 5.02 1.44 -1.26 -4.87 115.22 114.71 1i50 n HIS 733 Ca -0.08 -0.80 -0.40 0.00 -2.01 0.00 0.00 57.72 54.42 1i50 n HIS 733 Cb 0.54 -0.41 -0.11 0.00 0.12 0.00 0.00 29.99 30.12 1i50 n HIS 733 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1i50 n HIS 734 N 1.24 0.43 -3.79 -1.40 8.25 -1.26 -4.78 115.22 113.91 1i50 n HIS 734 Ca 0.00 -0.66 -0.13 0.00 -0.26 0.00 0.00 57.72 56.68 1i50 n HIS 734 Cb 0.47 -1.16 -0.09 0.00 1.12 0.00 0.00 29.99 30.33 1i50 n HIS 734 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i50 s ALA 735 N 8.18 -0.66 0.00 -1.41 0.00 -1.26 -4.97 121.76 121.63 1i50 s ALA 735 Ca 0.69 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1i50 s ALA 735 Cb 0.12 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1i50 s ALA 735 CO 0.29 -0.24 0.41 2.41 0.00 0.00 0.00 175.76 178.63 1i50 n THR 736 N 1.35 0.00 -0.00 0.00 -1.04 -1.26 -4.84 114.28 108.49 1i50 n THR 736 Ca -0.22 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 61.87 1i50 n THR 736 Cb 0.56 0.40 -0.12 0.00 -1.82 0.00 0.00 70.33 69.35 1i50 n THR 736 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1i50 n THR 737 N 0.00 0.00 -0.83 12.58 -1.04 -1.26 -5.02 114.28 118.71 1i50 n THR 737 Ca 0.00 -0.35 -0.32 0.00 -2.04 0.00 0.00 64.05 61.34 1i50 n THR 737 Cb 0.53 0.16 -0.04 0.00 -1.82 0.00 0.00 70.33 69.16 1i50 n THR 737 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1i50 n PHE 738 N -2.03 0.25 0.00 -1.42 0.99 -1.26 -4.83 117.46 109.16 1i50 n PHE 738 Ca -0.03 0.58 0.00 0.00 -0.00 0.00 0.00 57.45 58.00 1i50 n PHE 738 Cb 0.40 -1.15 0.00 0.00 -1.00 0.00 0.00 39.48 37.72 1i50 n PHE 738 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1i50 n THR 739 N 0.69 0.00 -3.92 4.37 -2.24 -0.78 -4.79 114.28 107.62 1i50 n THR 739 Ca 0.11 -0.17 -0.09 0.00 -2.27 0.00 0.00 64.05 61.63 1i50 n THR 739 Cb 0.06 0.67 -0.05 0.00 -2.10 0.00 0.00 70.33 68.91 1i50 n THR 739 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1i50 s HIS 740 N -1.61 0.21 -0.07 4.78 3.76 -1.20 -1.32 115.29 119.84 1i50 s HIS 740 Ca 0.00 -0.57 -0.05 0.00 -0.15 0.00 0.00 55.06 54.28 1i50 s HIS 740 Cb 0.00 0.24 0.02 0.00 1.11 0.00 0.00 32.58 33.95 1i50 s HIS 740 CO 0.00 -0.95 0.17 0.00 -0.85 0.00 0.00 174.74 173.11 1i50 s GLU 742 N 0.32 4.14 0.11 0.00 0.41 -0.14 -1.00 118.70 122.53 1i50 s GLU 742 Ca -0.02 2.55 -0.21 0.00 -0.41 0.00 0.00 54.97 56.88 1i50 s GLU 742 Cb -0.03 -3.05 -0.09 0.00 -1.78 0.00 0.00 34.13 29.18 1i50 s GLU 742 CO -0.01 -0.65 1.75 0.82 -0.49 0.00 0.00 175.26 176.68 1i50 h ILE 743 N 3.55 0.98 -1.44 -1.63 2.04 -1.88 -3.43 117.51 115.70 1i50 h ILE 743 Ca -0.46 -0.04 0.12 0.00 1.00 0.00 0.00 64.86 65.49 1i50 h ILE 743 Cb 1.21 0.86 -0.24 0.00 -0.74 0.00 0.00 36.82 37.91 1i50 h ILE 743 CO 0.84 0.02 0.19 -2.28 0.00 0.00 0.00 178.15 176.93 1i50 s HIS 744 N -6.18 -0.80 0.54 1.37 2.46 -1.26 -4.74 115.29 106.67 1i50 s HIS 744 Ca -0.13 1.46 0.27 0.00 0.47 0.00 0.00 55.06 57.12 1i50 s HIS 744 Cb 0.08 0.48 1.43 0.00 -0.13 0.00 0.00 32.58 34.43 1i50 s HIS 744 CO 0.68 -0.39 1.97 -1.00 -2.47 0.00 0.00 174.74 173.53 1i50 h PRO 745 N 7.09 0.00 0.00 2.88 0.13 -1.85 -1.84 132.00 138.41 1i50 h PRO 745 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1i50 h PRO 745 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1i50 h PRO 745 CO 0.13 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 176.77 1i50 n SER 746 N -4.29 0.00 -0.33 1.44 3.41 -1.26 -2.55 113.62 110.04 1i50 n SER 746 Ca 0.11 -0.02 0.03 0.00 -0.26 0.00 0.00 58.87 58.73 1i50 n SER 746 Cb 0.67 -0.20 0.09 0.00 -0.26 0.00 0.00 64.21 64.51 1i50 n SER 746 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1i50 n MET 747 N -1.20 1.41 0.10 4.33 2.81 -0.69 -3.02 117.12 120.86 1i50 n MET 747 Ca 0.06 -0.64 0.12 0.00 -1.81 0.00 0.00 57.70 55.44 1i50 n MET 747 Cb 0.07 -1.14 0.28 0.00 -0.71 0.00 0.00 33.22 31.72 1i50 n MET 747 CO 0.00 0.00 0.00 -0.84 1.51 0.00 0.00 175.97 176.64 1i50 h ILE 748 N 1.04 0.00 -4.28 2.02 3.07 -1.75 -3.35 117.51 114.26 1i50 h ILE 748 Ca 0.00 -0.56 -0.50 0.00 1.55 0.00 0.00 64.86 65.35 1i50 h ILE 748 Cb 0.24 1.38 0.05 0.00 -0.27 0.00 0.00 36.82 38.22 1i50 h ILE 748 CO 0.00 0.00 0.39 -0.76 -1.05 0.00 0.00 178.15 176.73 1i50 s LEU 749 N -4.63 3.34 0.00 0.16 1.43 -1.17 -3.99 118.68 113.84 1i50 s LEU 749 Ca 0.08 1.43 0.00 0.00 -1.03 0.00 0.00 54.13 54.62 1i50 s LEU 749 Cb 0.12 -4.45 0.00 0.00 0.03 0.00 0.00 46.19 41.89 1i50 s LEU 749 CO 0.66 -0.79 0.00 0.61 0.23 0.00 0.00 176.35 177.06 1i50 n GLY 750 N -2.44 1.54 0.23 -3.19 0.00 -1.26 -1.30 105.19 98.78 1i50 n GLY 750 Ca 0.06 -2.01 -0.14 0.00 0.00 0.00 0.00 46.02 43.93 1i50 n GLY 750 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1i50 h VAL 751 N -0.04 0.58 -0.27 1.61 2.07 -1.94 -2.62 116.25 115.64 1i50 h VAL 751 Ca 0.00 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.07 1i50 h VAL 751 Cb 0.00 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1i50 h VAL 751 CO 0.00 0.08 0.10 0.00 0.02 0.00 0.00 177.57 177.78 1i50 h ALA 752 N -0.34 0.31 0.00 1.67 0.00 -1.92 -2.62 119.26 116.36 1i50 h ALA 752 Ca -0.05 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1i50 h ALA 752 Cb 0.53 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1i50 h ALA 752 CO 0.09 -0.30 -0.26 0.00 0.00 0.00 0.00 179.25 178.78 1i50 h ALA 753 N 1.16 1.08 0.00 0.00 0.00 -1.93 -2.56 119.26 117.01 1i50 h ALA 753 Ca 0.12 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1i50 h ALA 753 Cb 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1i50 h ALA 753 CO -0.11 0.32 0.00 0.43 0.00 0.00 0.00 179.25 179.90 1i50 n SER 754 N -3.52 0.00 -0.09 0.00 7.64 -0.99 -1.60 113.62 115.06 1i50 n SER 754 Ca -0.00 0.37 0.10 0.00 1.01 0.00 0.00 58.87 60.35 1i50 n SER 754 Cb 0.42 -0.42 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1i50 n SER 754 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1i50 n ILE 755 N -1.42 0.00 -2.70 0.44 5.41 -0.96 -4.40 119.36 115.73 1i50 n ILE 755 Ca 0.03 -0.05 -0.42 0.00 1.00 0.00 0.00 62.75 63.31 1i50 n ILE 755 Cb 0.09 0.97 -0.03 0.00 -0.71 0.00 0.00 39.64 39.96 1i50 n ILE 755 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1i50 s ILE 756 N -2.90 4.84 0.15 1.39 1.01 -0.63 -4.97 121.20 120.09 1i50 s ILE 756 Ca 0.10 2.04 -0.28 0.00 0.00 0.00 0.00 60.65 62.51 1i50 s ILE 756 Cb 0.17 -4.31 -0.07 0.00 0.01 0.00 0.00 42.46 38.26 1i50 s ILE 756 CO 0.80 0.15 0.89 -2.16 0.00 0.00 0.00 174.94 174.62 1i50 s PRO 757 N 1.06 4.69 -1.49 2.79 0.04 -1.26 -3.92 135.00 136.91 1i50 s PRO 757 Ca 0.52 1.35 -0.08 0.00 0.04 0.00 0.00 61.00 62.84 1i50 s PRO 757 Cb -0.21 -3.33 0.06 0.00 0.04 0.00 0.00 34.50 31.06 1i50 s PRO 757 CO 0.28 0.38 0.69 1.19 0.04 0.00 0.00 177.00 179.57 1i50 n PHE 758 N 2.18 -1.87 0.28 0.56 0.99 0.19 -4.82 117.46 114.97 1i50 n PHE 758 Ca -0.01 0.81 0.18 0.00 -0.00 0.00 0.00 57.45 58.43 1i50 n PHE 758 Cb 0.49 -3.74 0.97 0.00 -1.00 0.00 0.00 39.48 36.19 1i50 n PHE 758 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 1i50 h PRO 759 N -1.83 0.00 0.00 -1.08 0.13 -1.82 -0.84 132.00 126.56 1i50 h PRO 759 Ca -0.61 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 1i50 h PRO 759 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1i50 h PRO 759 CO 0.66 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.03 1i50 n ASP 760 N -3.48 0.00 -0.19 1.44 5.68 -1.26 -2.67 116.55 116.07 1i50 n ASP 760 Ca -0.01 -1.32 0.02 0.00 -0.50 0.00 0.00 54.79 52.98 1i50 n ASP 760 Cb 0.20 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.22 1i50 n ASP 760 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1i50 n HIS 761 N -0.73 0.12 -4.15 2.11 8.25 -0.32 -5.03 115.22 115.48 1i50 n HIS 761 Ca 0.09 -0.42 -0.23 0.00 -0.26 0.00 0.00 57.72 56.91 1i50 n HIS 761 Cb 0.04 -0.04 -0.05 0.00 1.12 0.00 0.00 29.99 31.07 1i50 n HIS 761 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1i50 s ASN 762 N -0.89 5.33 0.34 0.41 0.01 -1.09 -3.56 114.94 115.49 1i50 s ASN 762 Ca 0.07 -0.31 -0.27 0.00 -0.71 0.00 0.00 52.86 51.63 1i50 s ASN 762 Cb 0.04 -1.30 -0.09 0.00 0.41 0.00 0.00 41.25 40.31 1i50 s ASN 762 CO 0.05 -0.02 1.15 -1.58 -1.51 0.00 0.00 177.10 175.19 1i50 s GLN 763 N -3.70 4.37 0.17 -0.60 0.74 -1.20 -4.95 119.66 114.48 1i50 s GLN 763 Ca 0.32 1.85 -0.22 0.00 0.05 0.00 0.00 55.36 57.36 1i50 s GLN 763 Cb -0.08 -2.95 0.07 0.00 1.10 0.00 0.00 33.01 31.15 1i50 s GLN 763 CO 0.24 -0.04 1.60 1.03 -0.55 0.00 0.00 175.29 177.56 1i50 h SER 764 N 3.26 -1.07 -0.14 6.67 0.87 -1.95 -2.63 113.55 118.56 1i50 h SER 764 Ca -0.48 0.20 0.04 0.00 -1.23 0.00 0.00 61.79 60.32 1i50 h SER 764 Cb 1.22 0.51 -0.01 0.00 -0.44 0.00 0.00 62.40 63.69 1i50 h SER 764 CO 0.65 -0.31 0.11 1.55 -0.53 0.00 0.00 176.83 178.30 1i50 h PRO 765 N -0.23 0.00 0.00 2.24 0.13 -1.99 -1.89 132.00 130.26 1i50 h PRO 765 Ca 0.18 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.25 1i50 h PRO 765 Cb 0.53 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 1i50 h PRO 765 CO -0.56 0.00 -0.31 0.00 -0.23 0.00 0.00 178.00 176.90 1i50 h ARG 766 N 0.00 0.00 -0.44 0.86 2.47 -1.82 -1.81 114.38 113.64 1i50 h ARG 766 Ca 0.06 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.67 1i50 h ARG 766 Cb 0.29 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 1i50 h ARG 766 CO -0.00 0.31 -0.20 -0.91 0.56 0.00 0.00 179.97 179.73 1i50 h ASN 767 N 0.00 0.89 -0.42 7.04 2.35 -1.40 -2.35 115.58 121.70 1i50 h ASN 767 Ca -0.00 -0.32 -0.04 0.00 -0.55 0.00 0.00 56.30 55.39 1i50 h ASN 767 Cb 0.58 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 1i50 h ASN 767 CO 0.04 1.06 0.12 0.74 -1.65 0.00 0.00 177.43 177.75 1i50 h THR 768 N 0.77 1.22 -0.40 2.81 2.02 -1.42 -2.19 112.91 115.71 1i50 h THR 768 Ca 0.11 -0.74 0.04 0.00 0.77 0.00 0.00 66.41 66.59 1i50 h THR 768 Cb 0.74 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 68.02 1i50 h THR 768 CO 0.06 0.26 0.16 1.88 0.37 0.00 0.00 175.52 178.25 1i50 h TYR 769 N 0.53 0.29 -0.13 3.16 0.99 -1.20 -2.54 116.97 118.07 1i50 h TYR 769 Ca 0.13 0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.90 1i50 h TYR 769 Cb 0.28 -0.07 -0.02 0.00 1.00 0.00 0.00 36.73 37.92 1i50 h TYR 769 CO 0.01 0.12 -0.01 0.37 -0.00 0.00 0.00 178.16 178.66 1i50 h GLN 770 N 0.33 0.03 -0.28 4.88 5.75 -1.28 -1.90 115.11 122.63 1i50 h GLN 770 Ca 0.18 -0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.76 1i50 h GLN 770 Cb 0.15 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.68 1i50 h GLN 770 CO -0.17 0.02 0.36 0.77 -2.65 0.00 0.00 178.83 177.16 1i50 h SER 771 N 0.03 0.00 0.00 -0.69 0.02 -0.99 0.36 113.55 112.29 1i50 h SER 771 Ca 0.06 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1i50 h SER 771 Cb 0.08 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 1i50 h SER 771 CO -0.11 0.00 -0.07 0.00 -1.14 0.00 0.00 176.83 175.51 1i50 h ALA 772 N 1.55 0.01 -0.04 3.77 0.00 -1.09 -3.37 119.26 120.09 1i50 h ALA 772 Ca 0.13 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 1i50 h ALA 772 Cb 0.85 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1i50 h ALA 772 CO -0.00 0.04 -0.17 0.52 0.00 0.00 0.00 179.25 179.63 1i50 h MET 773 N -1.00 0.07 -0.11 0.00 2.07 -0.44 -2.20 114.93 113.32 1i50 h MET 773 Ca -0.02 -0.01 0.03 0.00 -2.07 0.00 0.00 59.70 57.63 1i50 h MET 773 Cb 0.97 -0.01 -0.00 0.00 -1.87 0.00 0.00 31.60 30.68 1i50 h MET 773 CO -0.01 0.25 0.15 0.78 1.07 0.00 0.00 176.91 179.15 1i50 h GLY 774 N 0.63 0.00 0.38 8.32 0.00 -1.17 0.55 103.07 111.79 1i50 h GLY 774 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1i50 h GLY 774 CO 0.02 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.84 1i50 n LYS 775 N -3.61 1.23 -0.04 4.80 5.02 -0.83 -3.14 118.16 121.60 1i50 n LYS 775 Ca -0.00 -0.34 0.03 0.00 -2.02 0.00 0.00 58.31 55.97 1i50 n LYS 775 Cb 0.25 -1.44 0.04 0.00 -0.02 0.00 0.00 35.03 33.87 1i50 n LYS 775 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1i50 n GLN 776 N -0.54 2.63 -2.30 1.97 6.02 0.19 -4.83 117.38 120.52 1i50 n GLN 776 Ca 0.20 -1.79 -0.26 0.00 -0.01 0.00 0.00 57.00 55.14 1i50 n GLN 776 Cb 0.18 -1.14 0.05 0.00 1.02 0.00 0.00 30.24 30.35 1i50 n GLN 776 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1i50 s ALA 777 N -1.43 3.25 -0.10 -1.58 0.00 -1.13 -1.79 121.76 118.98 1i50 s ALA 777 Ca 0.09 -0.82 -0.00 0.00 0.00 0.00 0.00 51.96 51.23 1i50 s ALA 777 Cb 0.07 -2.59 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 1i50 s ALA 777 CO 0.02 -1.03 -0.08 -1.64 0.00 0.00 0.00 175.76 173.03 1i50 s MET 778 N -5.11 3.06 0.00 0.00 -1.94 -0.92 -4.57 119.30 109.83 1i50 s MET 778 Ca 0.57 -0.58 0.00 0.00 -1.71 0.00 0.00 55.69 53.97 1i50 s MET 778 Cb -0.11 -2.66 0.00 0.00 2.01 0.00 0.00 34.83 34.08 1i50 s MET 778 CO 0.45 0.48 0.00 0.41 -0.01 0.00 0.00 175.02 176.35 1i50 n GLY 779 N 2.77 3.61 2.49 -0.03 0.00 -1.26 -3.34 105.19 109.44 1i50 n GLY 779 Ca -0.18 -0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 1i50 n GLY 779 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1i50 n VAL 780 N 0.00 -0.84 -0.27 1.61 0.31 -1.23 -1.75 118.33 116.16 1i50 n VAL 780 Ca 0.00 -2.75 0.26 0.00 -0.01 0.00 0.00 64.34 61.84 1i50 n VAL 780 Cb 0.00 -0.88 0.62 0.00 -0.91 0.00 0.00 33.84 32.67 1i50 n VAL 780 CO 0.00 0.00 0.00 2.19 -1.32 0.00 0.00 176.83 177.70 1i50 h PHE 781 N 5.34 0.31 -2.55 3.52 -5.15 -1.83 -3.42 116.94 113.16 1i50 h PHE 781 Ca 0.19 0.01 -0.07 0.00 -0.20 0.00 0.00 57.97 57.90 1i50 h PHE 781 Cb 0.97 -0.09 -0.18 0.00 0.22 0.00 0.00 35.95 36.87 1i50 h PHE 781 CO 0.22 0.05 0.04 -0.51 -2.00 0.00 0.00 178.31 176.10 1i50 s LEU 782 N -9.01 -0.12 0.05 2.10 1.43 -1.26 -4.34 118.68 107.53 1i50 s LEU 782 Ca -0.07 0.35 0.27 0.00 -1.03 0.00 0.00 54.13 53.65 1i50 s LEU 782 Cb 0.23 2.12 1.10 0.00 0.03 0.00 0.00 46.19 49.67 1i50 s LEU 782 CO 0.79 -0.63 1.86 0.35 0.23 0.00 0.00 176.35 178.94 1i50 n THR 783 N 0.73 0.22 -1.14 5.49 -2.24 -1.26 -3.21 114.28 112.86 1i50 n THR 783 Ca -0.19 -0.03 -0.09 0.00 -2.27 0.00 0.00 64.05 61.47 1i50 n THR 783 Cb 0.58 -0.57 0.26 0.00 -2.10 0.00 0.00 70.33 68.50 1i50 n THR 783 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1i50 n ASN 784 N -1.67 4.19 0.09 3.42 6.94 -1.26 -4.66 115.26 122.31 1i50 n ASN 784 Ca 0.06 -3.38 0.12 0.00 -0.02 0.00 0.00 54.58 51.36 1i50 n ASN 784 Cb 0.34 -0.74 0.60 0.00 -2.36 0.00 0.00 39.78 37.62 1i50 n ASN 784 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 1i50 h TYR 785 N 1.97 0.15 0.00 -2.53 -0.00 -1.93 -2.19 116.97 112.44 1i50 h TYR 785 Ca 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 59.05 1i50 h TYR 785 Cb 2.32 -0.05 -0.00 0.00 0.00 0.00 0.00 36.73 39.00 1i50 h TYR 785 CO 1.28 0.08 -0.10 -0.97 -0.00 0.00 0.00 178.16 178.45 1i50 h ASN 786 N 0.15 0.00 0.42 0.10 -0.73 -1.90 -3.08 115.58 110.53 1i50 h ASN 786 Ca 0.14 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.31 1i50 h ASN 786 Cb 0.38 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.97 1i50 h ASN 786 CO -0.02 0.10 -1.38 0.52 -0.37 0.00 0.00 177.43 176.28 1i50 n VAL 787 N -3.25 0.23 -2.84 2.57 0.31 -0.83 -4.91 118.33 109.61 1i50 n VAL 787 Ca 0.00 -0.42 -0.31 0.00 -0.01 0.00 0.00 64.34 63.60 1i50 n VAL 787 Cb 0.35 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.24 1i50 n VAL 787 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1i50 s ARG 788 N -3.36 3.84 -0.62 5.55 0.52 -1.16 -5.03 118.95 118.69 1i50 s ARG 788 Ca -0.02 0.57 0.05 0.00 -0.52 0.00 0.00 55.73 55.81 1i50 s ARG 788 Cb 0.13 -2.36 0.20 0.00 0.52 0.00 0.00 34.95 33.43 1i50 s ARG 788 CO 0.84 -0.04 0.54 -1.33 0.02 0.00 0.00 175.30 175.33 1i50 n MET 789 N -1.19 1.68 -4.14 3.54 2.81 -1.26 -4.98 117.12 113.59 1i50 n MET 789 Ca 0.03 -4.25 -0.22 0.00 -1.81 0.00 0.00 57.70 51.45 1i50 n MET 789 Cb 0.54 -2.11 -0.05 0.00 -0.71 0.00 0.00 33.22 30.89 1i50 n MET 789 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 1i50 s ASP 790 N -1.48 5.40 0.16 7.83 3.84 -1.26 -4.97 116.67 126.18 1i50 s ASP 790 Ca 0.31 -0.29 -0.30 0.00 -0.00 0.00 0.00 52.55 52.26 1i50 s ASP 790 Cb 0.04 -1.34 -0.07 0.00 -1.38 0.00 0.00 42.92 40.17 1i50 s ASP 790 CO -0.13 -0.02 1.53 0.74 -0.00 0.00 0.00 175.17 177.29 1i50 h THR 791 N 1.59 0.00 -3.93 2.11 2.02 -1.92 -3.34 112.91 109.44 1i50 h THR 791 Ca -0.48 0.00 -0.30 0.00 0.77 0.00 0.00 66.41 66.40 1i50 h THR 791 Cb 1.24 0.00 -0.20 0.00 -1.74 0.00 0.00 68.15 67.44 1i50 h THR 791 CO 0.61 0.00 -0.74 -0.04 0.37 0.00 0.00 175.52 175.72 1i50 s MET 792 N -5.45 0.63 -0.18 6.66 -1.94 -1.26 -1.74 119.30 116.02 1i50 s MET 792 Ca -0.12 -0.87 -0.24 0.00 -1.71 0.00 0.00 55.69 52.74 1i50 s MET 792 Cb 0.11 -0.40 0.06 0.00 2.01 0.00 0.00 34.83 36.61 1i50 s MET 792 CO 0.61 0.07 0.64 0.00 -0.01 0.00 0.00 175.02 176.33 1i50 s ALA 793 N -1.64 -1.60 -0.08 3.03 0.00 -0.30 -4.96 121.76 116.21 1i50 s ALA 793 Ca -0.05 1.62 -0.01 0.00 0.00 0.00 0.00 51.96 53.51 1i50 s ALA 793 Cb -0.08 -0.73 0.03 0.00 0.00 0.00 0.00 23.12 22.34 1i50 s ALA 793 CO 0.00 -0.32 -0.02 -0.80 0.00 0.00 0.00 175.76 174.62 1i50 s ASN 794 N -0.14 1.69 -0.11 0.00 0.01 -1.26 -1.24 114.94 113.88 1i50 s ASN 794 Ca -0.04 -0.14 0.03 0.00 -0.71 0.00 0.00 52.86 52.00 1i50 s ASN 794 Cb -0.03 -0.54 0.01 0.00 0.41 0.00 0.00 41.25 41.10 1i50 s ASN 794 CO 0.03 -0.17 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.63 1i50 s ILE 795 N 1.84 1.81 0.40 0.60 1.09 -0.55 -4.01 121.20 122.38 1i50 s ILE 795 Ca 0.04 -0.85 -0.25 0.00 -1.10 0.00 0.00 60.65 58.49 1i50 s ILE 795 Cb -0.12 -1.61 -0.08 0.00 -1.06 0.00 0.00 42.46 39.58 1i50 s ILE 795 CO -0.06 0.50 1.16 -0.22 -0.10 0.00 0.00 174.94 176.23 1i50 s LEU 796 N 0.74 4.20 0.00 2.97 2.96 -0.72 0.31 118.68 129.15 1i50 s LEU 796 Ca -0.10 2.34 -0.20 0.00 -0.22 0.00 0.00 54.13 55.94 1i50 s LEU 796 Cb -0.16 -4.01 -0.11 0.00 0.50 0.00 0.00 46.19 42.40 1i50 s LEU 796 CO 0.01 -0.65 0.94 1.88 -1.32 0.00 0.00 176.35 177.21 1i50 h TYR 797 N 2.67 -0.68 -2.49 5.38 -1.99 -1.67 -3.40 116.97 114.79 1i50 h TYR 797 Ca -0.49 -0.02 -0.64 0.00 2.00 0.00 0.00 58.73 59.58 1i50 h TYR 797 Cb 1.23 0.22 -0.39 0.00 2.00 0.00 0.00 36.73 39.80 1i50 h TYR 797 CO 0.55 -0.42 -0.32 0.66 -0.00 0.00 0.00 178.16 178.63 1i50 n TYR 798 N -4.81 3.44 -1.71 4.88 4.02 -1.26 -5.08 117.16 116.63 1i50 n TYR 798 Ca -0.09 -3.91 -0.39 0.00 -0.01 0.00 0.00 57.90 53.49 1i50 n TYR 798 Cb 0.29 -0.73 0.04 0.00 -0.02 0.00 0.00 39.34 38.92 1i50 n TYR 798 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1i50 n PRO 799 N 1.15 1.61 -4.20 -0.72 -0.02 -1.26 -4.88 135.00 126.68 1i50 n PRO 799 Ca 0.28 0.59 -0.17 0.00 -2.02 0.00 0.00 63.50 62.18 1i50 n PRO 799 Cb 0.39 -2.45 -0.11 0.00 -0.02 0.00 0.00 33.50 31.30 1i50 n PRO 799 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1i50 s GLN 800 N -2.69 0.90 -0.00 -0.52 -0.21 -1.14 -5.03 119.66 110.97 1i50 s GLN 800 Ca 0.70 -1.11 -0.21 0.00 0.02 0.00 0.00 55.36 54.76 1i50 s GLN 800 Cb -0.44 -0.76 -0.05 0.00 1.00 0.00 0.00 33.01 32.75 1i50 s GLN 800 CO 0.51 0.15 0.61 -1.59 -2.12 0.00 0.00 175.29 172.84 1i50 s LYS 801 N -2.37 4.33 0.19 2.91 -2.85 -1.26 -4.55 119.74 116.13 1i50 s LYS 801 Ca 0.04 0.75 -0.32 0.00 -1.00 0.00 0.00 55.97 55.45 1i50 s LYS 801 Cb -0.06 -3.34 -0.12 0.00 -2.06 0.00 0.00 37.83 32.25 1i50 s LYS 801 CO 0.02 0.37 1.75 -1.25 0.10 0.00 0.00 175.35 176.34 1i50 s PRO 802 N -0.19 4.13 0.34 1.78 0.04 -1.26 -4.88 135.00 134.96 1i50 s PRO 802 Ca 0.31 2.61 0.09 0.00 0.04 0.00 0.00 61.00 64.05 1i50 s PRO 802 Cb -0.18 -3.20 0.81 0.00 0.04 0.00 0.00 34.50 31.96 1i50 s PRO 802 CO 0.18 -0.78 1.83 -0.07 0.04 0.00 0.00 177.00 178.20 1i50 h LEU 803 N 7.24 0.69 -8.00 -3.56 3.38 -1.94 -3.32 115.31 109.80 1i50 h LEU 803 Ca -0.44 0.06 -0.76 0.00 0.09 0.00 0.00 57.88 56.83 1i50 h LEU 803 Cb 1.20 -0.07 -0.26 0.00 0.09 0.00 0.00 40.66 41.62 1i50 h LEU 803 CO 0.96 0.31 -0.20 -0.83 0.09 0.00 0.00 178.44 178.76 1i50 s GLY 804 N -3.69 2.19 0.25 0.83 0.00 -1.26 -1.13 107.32 104.52 1i50 s GLY 804 Ca -0.10 -2.70 0.02 0.00 0.00 0.00 0.00 44.72 41.94 1i50 s GLY 804 CO 0.80 1.19 0.35 -1.30 0.00 0.00 0.00 173.10 174.14 1i50 n THR 805 N 4.91 0.00 -4.17 0.90 -2.24 0.03 -4.74 114.28 108.96 1i50 n THR 805 Ca -0.07 -0.69 -0.15 0.00 -2.27 0.00 0.00 64.05 60.87 1i50 n THR 805 Cb 0.41 -0.99 -0.11 0.00 -2.10 0.00 0.00 70.33 67.54 1i50 n THR 805 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1i50 s THR 806 N -0.72 0.95 0.22 4.28 2.01 -1.26 -0.26 115.64 120.87 1i50 s THR 806 Ca 0.25 -1.58 -0.01 0.00 0.31 0.00 0.00 61.69 60.65 1i50 s THR 806 Cb -0.02 -1.30 0.00 0.00 0.01 0.00 0.00 72.50 71.20 1i50 s THR 806 CO 0.16 -0.51 1.60 0.03 -0.69 0.00 0.00 174.62 175.21 1i50 h ARG 807 N 3.68 0.57 -0.09 4.92 2.47 -1.92 -2.89 114.38 121.11 1i50 h ARG 807 Ca -0.38 -0.28 -0.07 0.00 -1.26 0.00 0.00 59.98 57.99 1i50 h ARG 807 Cb 1.19 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.50 1i50 h ARG 807 CO 0.51 0.86 -0.27 0.00 0.56 0.00 0.00 179.97 181.63 1i50 h ALA 808 N 1.11 1.37 0.00 0.04 0.00 -1.97 -2.87 119.26 116.94 1i50 h ALA 808 Ca 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1i50 h ALA 808 Cb 0.89 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1i50 h ALA 808 CO 0.08 0.44 0.40 1.98 0.00 0.00 0.00 179.25 182.15 1i50 h MET 809 N 0.15 0.00 -0.12 0.00 -1.53 -1.71 -0.45 114.93 111.27 1i50 h MET 809 Ca 0.02 0.00 -0.20 0.00 -3.44 0.00 0.00 59.70 56.08 1i50 h MET 809 Cb 0.57 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.62 1i50 h MET 809 CO 0.04 0.00 -0.75 1.49 0.14 0.00 0.00 176.91 177.83 1i50 h GLU 810 N 0.00 0.60 -0.01 0.39 4.81 -1.65 -3.05 114.58 115.68 1i50 h GLU 810 Ca 0.00 -0.49 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1i50 h GLU 810 Cb 0.80 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.28 1i50 h GLU 810 CO 0.00 1.11 -0.04 0.66 -0.73 0.00 0.00 179.01 180.01 1i50 n TYR 811 N -3.89 0.00 0.95 0.92 4.02 -0.18 -3.24 117.16 115.74 1i50 n TYR 811 Ca -0.06 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.94 1i50 n TYR 811 Cb 0.72 -0.05 -0.00 0.00 -0.02 0.00 0.00 39.34 39.99 1i50 n TYR 811 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1i50 n LEU 812 N -0.53 2.01 -1.86 7.72 4.77 -1.16 -4.97 117.00 122.97 1i50 n LEU 812 Ca 0.19 -0.77 -0.18 0.00 -0.03 0.00 0.00 56.01 55.22 1i50 n LEU 812 Cb 0.26 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.32 1i50 n LEU 812 CO 0.19 0.37 -0.21 0.29 -1.33 0.00 0.00 177.39 176.70 1i50 n LYS 813 N 0.02 -1.37 -0.13 3.23 4.76 -1.20 -4.83 118.16 118.65 1i50 n LYS 813 Ca 0.09 0.92 -0.05 0.00 -2.87 0.00 0.00 58.31 56.41 1i50 n LYS 813 Cb 0.45 -5.35 0.15 0.00 -1.84 0.00 0.00 35.03 28.44 1i50 n LYS 813 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1i50 h PHE 814 N 0.00 0.90 0.00 2.13 3.57 -1.81 0.04 116.94 121.77 1i50 h PHE 814 Ca -0.41 -0.11 -0.05 0.00 3.53 0.00 0.00 57.97 60.92 1i50 h PHE 814 Cb 1.27 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 1i50 h PHE 814 CO 0.48 0.80 -0.26 0.00 -2.23 0.00 0.00 178.31 177.10 1i50 h ARG 815 N 0.80 0.00 0.18 1.11 3.08 -1.91 -1.78 114.38 115.86 1i50 h ARG 815 Ca 0.16 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.90 1i50 h ARG 815 Cb 0.41 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.48 1i50 h ARG 815 CO 0.01 0.26 -1.50 0.93 -1.07 0.00 0.00 179.97 178.60 1i50 h GLU 816 N 0.00 0.38 -2.25 0.04 3.07 -1.80 -3.41 114.58 110.62 1i50 h GLU 816 Ca -0.00 -0.65 -0.59 0.00 -0.50 0.00 0.00 59.36 57.62 1i50 h GLU 816 Cb 0.71 0.24 -0.40 0.00 -0.84 0.00 0.00 28.75 28.46 1i50 h GLU 816 CO 0.03 1.31 -0.83 1.28 -1.40 0.00 0.00 179.01 179.41 1i50 n LEU 817 N -3.77 1.83 -4.89 1.33 4.77 -0.06 -5.09 117.00 111.12 1i50 n LEU 817 Ca -0.22 -5.01 -0.30 0.00 -0.03 0.00 0.00 56.01 50.45 1i50 n LEU 817 Cb 1.01 -0.04 0.19 0.00 -2.33 0.00 0.00 43.42 42.25 1i50 n LEU 817 CO 0.51 2.00 0.85 -2.16 -1.33 0.00 0.00 177.39 177.26 1i50 s PRO 818 N -1.57 0.38 -0.08 3.23 0.04 -0.67 -4.65 135.00 131.67 1i50 s PRO 818 Ca 0.35 -0.38 -0.03 0.00 0.04 0.00 0.00 61.00 60.98 1i50 s PRO 818 Cb 0.12 -1.81 0.04 0.00 0.04 0.00 0.00 34.50 32.89 1i50 s PRO 818 CO -0.09 -2.59 0.16 0.00 0.04 0.00 0.00 177.00 174.52 1i50 s ALA 819 N -3.79 -0.24 0.00 8.56 0.00 -1.26 -3.52 121.76 121.51 1i50 s ALA 819 Ca 0.74 0.65 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1i50 s ALA 819 Cb -0.04 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.44 1i50 s ALA 819 CO 0.53 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.36 1i50 n GLY 820 N 4.71 0.46 3.23 0.00 0.00 -1.21 -4.81 105.19 107.58 1i50 n GLY 820 Ca -0.17 -1.92 -0.13 0.00 0.00 0.00 0.00 46.02 43.80 1i50 n GLY 820 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i50 s GLN 821 N -1.74 1.28 -0.68 1.61 -0.21 -0.82 -2.86 119.66 116.25 1i50 s GLN 821 Ca 0.00 -1.69 -0.20 0.00 0.02 0.00 0.00 55.36 53.50 1i50 s GLN 821 Cb 0.00 0.18 0.10 0.00 1.00 0.00 0.00 33.01 34.29 1i50 s GLN 821 CO 0.00 -0.39 0.86 -0.80 -2.12 0.00 0.00 175.29 172.84 1i50 s ASN 822 N -3.21 6.28 0.16 5.90 0.01 -1.26 -1.64 114.94 121.18 1i50 s ASN 822 Ca 0.39 -1.45 -0.22 0.00 -0.71 0.00 0.00 52.86 50.88 1i50 s ASN 822 Cb 0.07 -2.35 -0.08 0.00 0.41 0.00 0.00 41.25 39.30 1i50 s ASN 822 CO 0.13 -1.19 0.70 0.00 -1.51 0.00 0.00 177.10 175.23 1i50 s ALA 823 N 3.02 3.48 -0.45 0.60 0.00 -0.50 -4.81 121.76 123.10 1i50 s ALA 823 Ca 0.19 0.20 -0.27 0.00 0.00 0.00 0.00 51.96 52.08 1i50 s ALA 823 Cb -0.18 -2.82 0.03 0.00 0.00 0.00 0.00 23.12 20.15 1i50 s ALA 823 CO 0.04 0.34 1.01 0.42 0.00 0.00 0.00 175.76 177.57 1i50 s ILE 824 N -1.27 4.39 -0.16 0.00 -1.09 -1.26 -0.52 121.20 121.29 1i50 s ILE 824 Ca 0.36 1.01 -0.04 0.00 -2.23 0.00 0.00 60.65 59.75 1i50 s ILE 824 Cb -0.20 -4.48 -0.03 0.00 -1.58 0.00 0.00 42.46 36.17 1i50 s ILE 824 CO 0.22 -0.84 -0.02 -0.69 -1.23 0.00 0.00 174.94 172.38 1i50 s VAL 825 N 3.96 4.03 -0.25 2.92 1.01 0.12 -0.77 120.40 131.43 1i50 s VAL 825 Ca 0.41 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 62.03 1i50 s VAL 825 Cb -0.09 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 1i50 s VAL 825 CO 0.27 0.49 0.02 0.00 0.00 0.00 0.00 175.10 175.88 1i50 s ALA 826 N 0.39 2.99 -0.63 5.51 0.00 0.44 -2.27 121.76 128.20 1i50 s ALA 826 Ca -0.03 -1.22 -0.24 0.00 0.00 0.00 0.00 51.96 50.47 1i50 s ALA 826 Cb -0.14 -1.93 0.05 0.00 0.00 0.00 0.00 23.12 21.10 1i50 s ALA 826 CO 0.02 -0.56 1.01 0.42 0.00 0.00 0.00 175.76 176.65 1i50 s ILE 827 N 1.53 4.24 0.09 0.00 1.01 -0.97 -1.38 121.20 125.72 1i50 s ILE 827 Ca 0.05 0.04 -0.26 0.00 0.00 0.00 0.00 60.65 60.48 1i50 s ILE 827 Cb -0.15 -4.67 0.08 0.00 0.01 0.00 0.00 42.46 37.73 1i50 s ILE 827 CO 0.00 -1.39 0.68 0.00 0.00 0.00 0.00 174.94 174.23 1i50 s ALA 828 N 4.31 -1.68 -0.51 9.38 0.00 -0.03 -4.26 121.76 128.98 1i50 s ALA 828 Ca 0.28 0.75 -0.20 0.00 0.00 0.00 0.00 51.96 52.79 1i50 s ALA 828 Cb -0.14 0.61 0.05 0.00 0.00 0.00 0.00 23.12 23.65 1i50 s ALA 828 CO 0.15 -0.68 0.68 0.00 0.00 0.00 0.00 175.76 175.91 1i50 n TYR 830 N 6.38 0.00 0.68 0.00 9.36 -1.26 -4.89 117.16 127.43 1i50 n TYR 830 Ca -0.05 0.00 0.07 0.00 3.32 0.00 0.00 57.90 61.24 1i50 n TYR 830 Cb 0.46 0.00 0.37 0.00 -0.63 0.00 0.00 39.34 39.54 1i50 n TYR 830 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1i50 n SER 831 N 0.00 0.00 0.00 2.98 3.41 -1.26 -4.82 113.62 113.93 1i50 n SER 831 Ca 0.00 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 1i50 n SER 831 Cb 0.00 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1i50 n SER 831 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i50 n GLY 832 N -0.01 1.87 0.56 5.00 0.00 -1.26 -4.93 105.19 106.42 1i50 n GLY 832 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1i50 n GLY 832 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1i50 n TYR 833 N -2.00 0.00 -2.45 1.61 4.02 -1.26 -3.81 117.16 113.27 1i50 n TYR 833 Ca 0.00 -0.06 -0.01 0.00 -0.01 0.00 0.00 57.90 57.82 1i50 n TYR 833 Cb 0.00 -0.11 0.06 0.00 -0.02 0.00 0.00 39.34 39.26 1i50 n TYR 833 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1i50 n ASN 834 N 0.09 1.88 -4.84 7.72 6.94 -1.26 -4.49 115.26 121.30 1i50 n ASN 834 Ca 0.00 -2.50 -0.24 0.00 -0.02 0.00 0.00 54.58 51.82 1i50 n ASN 834 Cb 0.27 -0.41 0.07 0.00 -2.36 0.00 0.00 39.78 37.36 1i50 n ASN 834 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1i50 s GLN 835 N -2.42 2.10 -1.37 -3.83 -0.21 -1.25 -4.02 119.66 108.67 1i50 s GLN 835 Ca 0.34 -0.65 -0.16 0.00 0.02 0.00 0.00 55.36 54.91 1i50 s GLN 835 Cb 0.36 -2.30 0.02 0.00 1.00 0.00 0.00 33.01 32.10 1i50 s GLN 835 CO -0.08 -1.17 0.30 0.39 -2.12 0.00 0.00 175.29 172.61 1i50 n GLU 836 N -2.75 -0.61 -2.18 2.91 -0.58 -1.26 -1.94 120.64 114.23 1i50 n GLU 836 Ca 0.10 0.06 -0.12 0.00 -0.42 0.00 0.00 57.16 56.78 1i50 n GLU 836 Cb 0.60 -2.97 -0.01 0.00 -0.57 0.00 0.00 31.44 28.49 1i50 n GLU 836 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1i50 n ASP 837 N -2.46 -3.89 -4.86 1.62 8.00 -1.26 -5.04 116.55 108.66 1i50 n ASP 837 Ca -0.23 0.01 -0.25 0.00 0.71 0.00 0.00 54.79 55.03 1i50 n ASP 837 Cb 0.62 -3.07 -0.03 0.00 -0.02 0.00 0.00 41.12 38.62 1i50 n ASP 837 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1i50 s SER 838 N -2.48 4.66 0.07 -2.24 1.04 -0.82 -3.39 113.70 110.55 1i50 s SER 838 Ca 0.00 -1.11 0.03 0.00 0.48 0.00 0.00 55.95 55.35 1i50 s SER 838 Cb 0.00 -0.01 -0.03 0.00 0.10 0.00 0.00 66.02 66.08 1i50 s SER 838 CO 0.00 -0.87 -0.09 -0.04 0.98 0.00 0.00 173.24 173.23 1i50 s MET 839 N -4.15 0.70 -0.31 4.02 -1.94 0.98 -4.51 119.30 114.09 1i50 s MET 839 Ca 0.38 -1.00 -0.07 0.00 -1.71 0.00 0.00 55.69 53.28 1i50 s MET 839 Cb -0.01 -0.38 0.02 0.00 2.01 0.00 0.00 34.83 36.47 1i50 s MET 839 CO 0.22 0.05 0.10 0.42 -0.01 0.00 0.00 175.02 175.81 1i50 s ILE 840 N -2.13 4.04 0.04 2.53 1.01 -1.04 0.78 121.20 126.42 1i50 s ILE 840 Ca -0.01 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.89 1i50 s ILE 840 Cb -0.05 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 1i50 s ILE 840 CO -0.01 0.00 0.07 -0.32 0.00 0.00 0.00 174.94 174.69 1i50 s MET 841 N 1.50 2.95 -0.26 2.79 1.75 -1.00 -0.38 119.30 126.65 1i50 s MET 841 Ca 0.02 -0.60 -0.29 0.00 -1.25 0.00 0.00 55.69 53.56 1i50 s MET 841 Cb -0.18 -2.77 -0.01 0.00 2.84 0.00 0.00 34.83 34.71 1i50 s MET 841 CO 0.03 0.60 1.36 1.21 -0.65 0.00 0.00 175.02 177.57 1i50 s ASN 842 N -2.06 6.66 0.36 1.11 3.84 0.07 -1.45 114.94 123.47 1i50 s ASN 842 Ca 0.26 1.38 0.10 0.00 0.21 0.00 0.00 52.86 54.80 1i50 s ASN 842 Cb -0.12 -2.54 0.69 0.00 -0.55 0.00 0.00 41.25 38.73 1i50 s ASN 842 CO 0.18 -1.06 1.84 -0.61 -2.79 0.00 0.00 177.10 174.66 1i50 h GLN 843 N 9.37 0.18 -0.37 0.43 5.75 0.23 -2.01 115.11 128.69 1i50 h GLN 843 Ca -0.28 -0.06 -0.12 0.00 -0.15 0.00 0.00 58.65 58.05 1i50 h GLN 843 Cb 1.11 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.63 1i50 h GLN 843 CO 1.02 0.43 -0.24 0.77 -2.65 0.00 0.00 178.83 178.16 1i50 h SER 844 N 0.16 0.76 -0.17 -0.69 0.02 -1.91 -1.50 113.55 110.22 1i50 h SER 844 Ca 0.03 -0.28 -0.11 0.00 -0.84 0.00 0.00 61.79 60.59 1i50 h SER 844 Cb 0.55 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1i50 h SER 844 CO 0.04 0.97 -0.26 0.28 -1.14 0.00 0.00 176.83 176.72 1i50 h SER 845 N 0.64 0.65 -0.83 3.07 0.02 -1.80 -2.33 113.55 112.97 1i50 h SER 845 Ca 0.09 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.77 1i50 h SER 845 Cb 0.75 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.07 1i50 h SER 845 CO 0.06 0.89 0.39 0.40 -1.14 0.00 0.00 176.83 177.43 1i50 h ILE 846 N 0.56 1.26 -0.69 3.27 2.04 -0.88 -0.75 117.51 122.31 1i50 h ILE 846 Ca 0.08 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 1i50 h ILE 846 Cb 0.73 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1i50 h ILE 846 CO 0.06 0.31 0.31 0.44 0.00 0.00 0.00 178.15 179.27 1i50 h ASP 847 N 1.18 0.93 0.00 1.72 3.32 -0.90 -2.33 116.42 120.34 1i50 h ASP 847 Ca 0.28 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1i50 h ASP 847 Cb 0.13 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1i50 h ASP 847 CO -0.03 0.82 0.00 0.54 -1.72 0.00 0.00 179.24 178.85 1i50 n ARG 848 N -4.41 0.82 0.00 3.56 1.74 -0.91 -4.86 116.66 112.59 1i50 n ARG 848 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1i50 n ARG 848 Cb 0.15 -1.15 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 1i50 n ARG 848 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i50 n GLY 849 N 0.41 0.69 3.67 -0.13 0.00 -0.88 -5.07 105.19 103.88 1i50 n GLY 849 Ca 0.06 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.60 1i50 n GLY 849 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1i50 n LEU 850 N 0.00 3.04 -0.64 0.99 7.94 -0.33 -2.69 117.00 125.31 1i50 n LEU 850 Ca 0.00 1.06 -0.08 0.00 -1.11 0.00 0.00 56.01 55.88 1i50 n LEU 850 Cb 0.00 -1.38 -0.03 0.00 0.53 0.00 0.00 43.42 42.53 1i50 n LEU 850 CO 0.00 -0.30 -0.08 0.49 -1.11 0.00 0.00 177.39 176.40 1i50 n PHE 851 N 4.25 -0.03 -2.04 1.96 3.01 -1.26 -4.63 117.46 118.72 1i50 n PHE 851 Ca 0.19 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.31 1i50 n PHE 851 Cb 0.28 -2.47 0.02 0.00 -0.01 0.00 0.00 39.48 37.30 1i50 n PHE 851 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1i50 s ARG 852 N -2.58 3.11 0.06 -1.08 0.52 -1.10 -4.56 118.95 113.32 1i50 s ARG 852 Ca 0.00 1.51 -0.10 0.00 -0.52 0.00 0.00 55.73 56.62 1i50 s ARG 852 Cb 0.00 -1.98 0.01 0.00 0.52 0.00 0.00 34.95 33.49 1i50 s ARG 852 CO 0.00 -1.02 0.22 -1.54 0.02 0.00 0.00 175.30 172.97 1i50 s SER 853 N -2.14 0.03 0.12 0.23 1.04 -0.79 -1.64 113.70 110.55 1i50 s SER 853 Ca 0.70 -0.44 -0.06 0.00 0.48 0.00 0.00 55.95 56.64 1i50 s SER 853 Cb -0.22 0.32 -0.06 0.00 0.10 0.00 0.00 66.02 66.16 1i50 s SER 853 CO 0.33 -0.63 0.37 -0.76 0.98 0.00 0.00 173.24 173.53 1i50 s LEU 854 N -2.37 4.29 -0.05 2.42 1.43 0.15 0.05 118.68 124.59 1i50 s LEU 854 Ca -0.01 0.62 0.01 0.00 -1.03 0.00 0.00 54.13 53.71 1i50 s LEU 854 Cb 0.01 -3.22 0.02 0.00 0.03 0.00 0.00 46.19 43.04 1i50 s LEU 854 CO -0.07 0.08 -0.03 0.12 0.23 0.00 0.00 176.35 176.69 1i50 s PHE 855 N -1.59 0.69 -0.06 0.29 5.36 0.21 -1.49 117.98 121.39 1i50 s PHE 855 Ca 0.39 -0.18 0.04 0.00 -0.96 0.00 0.00 56.93 56.22 1i50 s PHE 855 Cb -0.12 -0.65 -0.00 0.00 -0.34 0.00 0.00 43.02 41.90 1i50 s PHE 855 CO 0.23 -0.20 -0.19 -0.06 -1.46 0.00 0.00 175.22 173.54 1i50 s PHE 856 N 1.07 1.92 -0.02 10.12 0.40 -0.37 -0.32 117.98 130.78 1i50 s PHE 856 Ca -0.09 -0.61 0.03 0.00 -0.60 0.00 0.00 56.93 55.67 1i50 s PHE 856 Cb -0.14 -1.29 -0.00 0.00 0.51 0.00 0.00 43.02 42.09 1i50 s PHE 856 CO -0.01 -0.22 -0.11 0.50 0.70 0.00 0.00 175.22 176.08 1i50 s ARG 857 N 0.12 1.02 -0.06 0.44 3.52 -0.89 -1.15 118.95 121.95 1i50 s ARG 857 Ca -0.07 -0.40 0.02 0.00 -0.13 0.00 0.00 55.73 55.16 1i50 s ARG 857 Cb -0.13 -0.97 0.01 0.00 -1.56 0.00 0.00 34.95 32.30 1i50 s ARG 857 CO 0.03 0.21 -0.12 -1.54 -0.81 0.00 0.00 175.30 173.07 1i50 s SER 858 N -0.10 1.75 -0.03 -2.12 1.04 -0.71 -0.19 113.70 113.34 1i50 s SER 858 Ca 0.01 -0.29 -0.05 0.00 0.48 0.00 0.00 55.95 56.11 1i50 s SER 858 Cb -0.06 -0.75 -0.04 0.00 0.10 0.00 0.00 66.02 65.26 1i50 s SER 858 CO 0.00 0.05 0.20 -0.31 0.98 0.00 0.00 173.24 174.15 1i50 s TYR 859 N 0.57 3.57 0.25 5.02 1.51 0.21 -4.60 117.35 123.87 1i50 s TYR 859 Ca -0.13 0.45 0.10 0.00 -1.01 0.00 0.00 57.07 56.48 1i50 s TYR 859 Cb -0.15 -1.90 -0.05 0.00 -0.11 0.00 0.00 41.96 39.76 1i50 s TYR 859 CO 0.03 0.66 -0.16 1.41 -1.11 0.00 0.00 175.55 176.38 1i50 s MET 860 N -1.69 1.52 -0.29 -0.62 1.75 -1.26 0.04 119.30 118.75 1i50 s MET 860 Ca 0.25 -1.70 -0.28 0.00 -1.25 0.00 0.00 55.69 52.71 1i50 s MET 860 Cb -0.13 -1.44 0.19 0.00 2.84 0.00 0.00 34.83 36.29 1i50 s MET 860 CO 0.15 0.24 1.39 0.34 -0.65 0.00 0.00 175.02 176.49 1i50 s ASP 861 N -3.42 -0.04 0.00 1.11 2.15 -0.94 -5.01 116.67 110.51 1i50 s ASP 861 Ca 0.27 0.06 0.00 0.00 0.43 0.00 0.00 52.55 53.30 1i50 s ASP 861 Cb -0.02 0.05 0.00 0.00 -0.30 0.00 0.00 42.92 42.65 1i50 s ASP 861 CO 0.11 -0.03 0.00 0.00 -0.17 0.00 0.00 175.17 175.08 1i50 n GLN 862 N 0.83 3.20 -4.16 4.34 6.02 -1.26 -2.56 117.38 123.79 1i50 n GLN 862 Ca -0.03 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.86 1i50 n GLN 862 Cb 0.58 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.74 1i50 n GLN 862 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1i50 s GLU 863 N 2.83 0.81 0.00 -1.09 2.02 -1.26 -4.95 118.70 117.05 1i50 s GLU 863 Ca 0.00 -1.32 0.00 0.00 0.02 0.00 0.00 54.97 53.67 1i50 s GLU 863 Cb 0.00 -0.14 0.00 0.00 0.10 0.00 0.00 34.13 34.09 1i50 s GLU 863 CO 0.00 -0.04 0.00 0.36 0.02 0.00 0.00 175.26 175.60 1i50 n LYS 864 N -0.03 0.00 -2.24 1.61 2.85 -1.26 -4.94 118.16 114.15 1i50 n LYS 864 Ca -0.12 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.12 1i50 n LYS 864 Cb 0.61 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.98 1i50 n LYS 864 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1i50 n LYS 865 N 0.00 0.09 -1.51 -1.58 5.02 -1.26 -5.04 118.16 113.89 1i50 n LYS 865 Ca 0.00 -0.36 -0.46 0.00 -2.02 0.00 0.00 58.31 55.47 1i50 n LYS 865 Cb 0.00 0.29 -0.06 0.00 -0.02 0.00 0.00 35.03 35.24 1i50 n LYS 865 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1i50 n TYR 866 N -0.07 1.63 -3.15 2.13 0.53 -1.26 -4.89 117.16 112.08 1i50 n TYR 866 Ca 0.01 0.13 0.04 0.00 -1.02 0.00 0.00 57.90 57.06 1i50 n TYR 866 Cb 0.07 -2.60 -0.01 0.00 -1.03 0.00 0.00 39.34 35.76 1i50 n TYR 866 CO 0.00 0.00 0.00 0.20 -1.02 0.00 0.00 176.86 176.04 1i50 s GLY 867 N 8.48 -0.91 -0.10 2.72 0.00 -1.26 -5.11 107.32 111.13 1i50 s GLY 867 Ca 1.07 1.97 -0.34 0.00 0.00 0.00 0.00 44.72 47.41 1i50 s GLY 867 CO 0.41 3.45 1.88 -0.13 0.00 0.00 0.00 173.10 178.71 1i50 n MET 868 N 5.44 2.13 -3.87 2.90 1.56 -1.26 -2.11 117.12 121.90 1i50 n MET 868 Ca -0.02 0.78 -0.28 0.00 -0.27 0.00 0.00 57.70 57.92 1i50 n MET 868 Cb 0.51 -2.62 0.02 0.00 2.15 0.00 0.00 33.22 33.29 1i50 n MET 868 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1i50 n SER 869 N 6.61 -3.57 -3.35 6.12 3.41 -1.26 -4.98 113.62 116.60 1i50 n SER 869 Ca 0.23 -0.81 -0.10 0.00 -0.26 0.00 0.00 58.87 57.93 1i50 n SER 869 Cb 0.29 -3.85 -0.08 0.00 -0.26 0.00 0.00 64.21 60.30 1i50 n SER 869 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1i50 s ILE 870 N -3.43 -0.59 0.00 -1.33 1.01 -0.90 -5.09 121.20 110.87 1i50 s ILE 870 Ca 0.46 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.98 1i50 s ILE 870 Cb -0.23 -0.84 0.00 0.00 0.01 0.00 0.00 42.46 41.40 1i50 s ILE 870 CO 0.83 -0.17 0.00 0.41 0.00 0.00 0.00 174.94 176.02 1i50 n THR 871 N 5.36 0.00 -4.01 2.92 -1.04 -1.26 -4.55 114.28 111.70 1i50 n THR 871 Ca -0.03 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.87 1i50 n THR 871 Cb 0.50 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.89 1i50 n THR 871 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1i50 s GLU 872 N 0.76 0.34 -0.02 -2.82 2.02 -1.26 -4.20 118.70 113.52 1i50 s GLU 872 Ca 0.00 -0.51 0.05 0.00 0.02 0.00 0.00 54.97 54.53 1i50 s GLU 872 Cb 0.00 -0.09 -0.01 0.00 0.10 0.00 0.00 34.13 34.13 1i50 s GLU 872 CO 0.00 0.01 -0.16 0.99 0.02 0.00 0.00 175.26 176.12 1i50 s THR 873 N -1.05 1.28 -0.81 3.63 2.01 -1.00 -4.71 115.64 115.00 1i50 s THR 873 Ca -0.10 -0.69 -0.20 0.00 0.31 0.00 0.00 61.69 61.02 1i50 s THR 873 Cb -0.07 -1.07 0.11 0.00 0.01 0.00 0.00 72.50 71.48 1i50 s THR 873 CO -0.00 0.36 1.02 -0.36 -0.69 0.00 0.00 174.62 174.95 1i50 s PHE 874 N -0.33 2.99 0.16 4.92 0.40 -1.26 -2.17 117.98 122.69 1i50 s PHE 874 Ca 0.05 -1.10 -0.24 0.00 -0.60 0.00 0.00 56.93 55.04 1i50 s PHE 874 Cb -0.07 -4.24 0.06 0.00 0.51 0.00 0.00 43.02 39.28 1i50 s PHE 874 CO -0.00 -1.50 0.71 -1.21 0.70 0.00 0.00 175.22 173.91 1i50 s GLU 875 N 3.04 1.31 0.07 0.44 2.02 -1.06 -3.60 118.70 120.92 1i50 s GLU 875 Ca 0.27 -0.58 -0.31 0.00 0.02 0.00 0.00 54.97 54.37 1i50 s GLU 875 Cb -0.11 0.54 -0.08 0.00 0.10 0.00 0.00 34.13 34.59 1i50 s GLU 875 CO -0.02 -0.58 1.58 0.15 0.02 0.00 0.00 175.26 176.41 1i50 s LYS 876 N -3.64 4.22 0.15 1.61 1.02 -1.26 -4.22 119.74 117.63 1i50 s LYS 876 Ca 0.05 2.24 -0.08 0.00 0.02 0.00 0.00 55.97 58.21 1i50 s LYS 876 Cb -0.02 -3.53 -0.06 0.00 -0.52 0.00 0.00 37.83 33.70 1i50 s LYS 876 CO -0.06 -0.67 0.44 -1.25 -0.92 0.00 0.00 175.35 172.88 1i50 s PRO 877 N 2.36 3.72 -0.40 -1.68 0.04 -1.26 -5.04 135.00 132.73 1i50 s PRO 877 Ca 0.71 0.10 0.10 0.00 0.04 0.00 0.00 61.00 61.95 1i50 s PRO 877 Cb -0.38 -2.83 0.35 0.00 0.04 0.00 0.00 34.50 31.68 1i50 s PRO 877 CO 0.31 0.45 0.89 1.04 0.04 0.00 0.00 177.00 179.72 1i50 n GLN 878 N 0.24 1.00 -0.58 4.56 6.02 -1.26 -5.06 117.38 122.30 1i50 n GLN 878 Ca -0.03 -2.84 0.00 0.00 -0.01 0.00 0.00 57.00 54.12 1i50 n GLN 878 Cb 0.52 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 30.37 1i50 n GLN 878 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1i50 n ARG 879 N 0.27 0.00 -3.66 -1.09 1.74 -1.26 -5.06 116.66 107.60 1i50 n ARG 879 Ca 0.17 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.17 1i50 n ARG 879 Cb 0.69 -0.19 -0.08 0.00 -1.02 0.00 0.00 32.46 31.85 1i50 n ARG 879 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1i50 s THR 880 N -0.12 -0.01 0.00 0.55 2.01 -1.26 -4.91 115.64 111.91 1i50 s THR 880 Ca 0.00 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.03 1i50 s THR 880 Cb 0.00 -0.88 0.00 0.00 0.01 0.00 0.00 72.50 71.63 1i50 s THR 880 CO 0.00 0.01 0.00 0.59 -0.69 0.00 0.00 174.62 174.53 1i50 n ASN 881 N 4.18 0.00 -0.09 3.53 3.02 -1.26 -3.56 115.26 121.08 1i50 n ASN 881 Ca -0.20 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.24 1i50 n ASN 881 Cb 0.58 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.64 1i50 n ASN 881 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1i50 n THR 882 N 0.00 1.11 0.00 3.41 -1.04 -1.26 -4.98 114.28 111.52 1i50 n THR 882 Ca 0.00 -0.55 0.00 0.00 -2.04 0.00 0.00 64.05 61.46 1i50 n THR 882 Cb 0.00 -0.91 0.00 0.00 -1.82 0.00 0.00 70.33 67.60 1i50 n THR 882 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1i50 n LEU 883 N -2.84 0.00 -4.46 -4.42 4.77 -1.23 -4.86 117.00 103.96 1i50 n LEU 883 Ca -0.31 0.00 -0.48 0.00 -0.03 0.00 0.00 56.01 55.20 1i50 n LEU 883 Cb 0.94 -0.34 -0.08 0.00 -2.33 0.00 0.00 43.42 41.61 1i50 n LEU 883 CO 0.26 0.00 1.89 0.54 -1.33 0.00 0.00 177.39 178.76 1i50 n ARG 884 N -1.56 0.85 -1.24 3.23 1.74 -1.26 -4.84 116.66 113.58 1i50 n ARG 884 Ca 0.00 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 1i50 n ARG 884 Cb 0.00 -2.41 0.00 0.00 -1.02 0.00 0.00 32.46 29.03 1i50 n ARG 884 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1i50 n MET 885 N 8.32 0.00 -4.05 5.56 2.81 -1.26 -1.92 117.12 126.58 1i50 n MET 885 Ca 0.45 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 56.26 1i50 n MET 885 Cb 0.23 0.00 -0.09 0.00 -0.71 0.00 0.00 33.22 32.65 1i50 n MET 885 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1i50 s LYS 886 N -1.95 0.69 0.45 0.03 1.02 -1.26 -5.05 119.74 113.67 1i50 s LYS 886 Ca 0.00 -1.19 0.37 0.00 0.02 0.00 0.00 55.97 55.17 1i50 s LYS 886 Cb 0.00 0.24 1.48 0.00 -0.52 0.00 0.00 37.83 39.03 1i50 s LYS 886 CO 0.00 -0.16 1.44 0.72 -0.92 0.00 0.00 175.35 176.44 1i50 n HIS 887 N 0.06 0.37 -2.12 3.18 8.25 -1.26 -4.59 115.22 119.11 1i50 n HIS 887 Ca -0.13 0.37 -0.41 0.00 -0.26 0.00 0.00 57.72 57.29 1i50 n HIS 887 Cb 0.62 -0.81 -0.02 0.00 1.12 0.00 0.00 29.99 30.89 1i50 n HIS 887 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1i50 s GLY 888 N -4.00 2.79 0.27 -1.41 0.00 -1.26 -4.98 107.32 98.74 1i50 s GLY 888 Ca -0.06 1.24 -0.29 0.00 0.00 0.00 0.00 44.72 45.61 1i50 s GLY 888 CO 0.79 1.99 1.00 -1.59 0.00 0.00 0.00 173.10 175.29 1i50 s THR 889 N -0.74 3.87 -2.43 0.90 2.01 -1.26 -4.66 115.64 113.33 1i50 s THR 889 Ca 0.52 1.82 0.25 0.00 0.31 0.00 0.00 61.69 64.59 1i50 s THR 889 Cb -0.39 -4.13 0.24 0.00 0.01 0.00 0.00 72.50 68.22 1i50 s THR 889 CO 0.49 0.39 1.39 -1.22 -0.69 0.00 0.00 174.62 174.98 1i50 n TYR 890 N 1.20 0.00 -0.28 4.92 4.02 -1.26 -3.19 117.16 122.57 1i50 n TYR 890 Ca -0.01 0.00 0.34 0.00 -0.01 0.00 0.00 57.90 58.22 1i50 n TYR 890 Cb 0.47 -0.02 0.70 0.00 -0.02 0.00 0.00 39.34 40.46 1i50 n TYR 890 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1i50 h ASP 891 N 2.97 0.00 1.67 7.72 3.32 -1.95 -0.20 116.42 129.96 1i50 h ASP 891 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1i50 h ASP 891 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 1i50 h ASP 891 CO 0.00 0.00 -0.12 0.11 -1.72 0.00 0.00 179.24 177.51 1i50 h LYS 892 N 0.00 0.00 -7.33 3.56 1.57 -1.90 -3.46 116.57 109.01 1i50 h LYS 892 Ca 0.54 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.83 1i50 h LYS 892 Cb 2.41 0.00 0.14 0.00 0.08 0.00 0.00 32.23 34.87 1i50 h LYS 892 CO -0.01 0.00 0.26 -0.51 -0.57 0.00 0.00 179.45 178.63 1i50 s LEU 893 N -5.44 2.42 0.40 2.94 1.43 -0.09 -4.56 118.68 115.79 1i50 s LEU 893 Ca 0.08 1.55 0.08 0.00 -1.03 0.00 0.00 54.13 54.81 1i50 s LEU 893 Cb 0.08 -4.03 -0.02 0.00 0.03 0.00 0.00 46.19 42.25 1i50 s LEU 893 CO 0.66 -2.51 0.36 -1.81 0.23 0.00 0.00 176.35 173.28 1i50 s ASP 894 N -3.42 5.07 0.00 2.29 1.01 -0.57 -4.90 116.67 116.15 1i50 s ASP 894 Ca 0.63 -0.71 0.08 0.00 0.71 0.00 0.00 52.55 53.25 1i50 s ASP 894 Cb -0.18 -0.63 0.39 0.00 1.01 0.00 0.00 42.92 43.51 1i50 s ASP 894 CO 0.57 -0.61 1.15 0.47 0.21 0.00 0.00 175.17 176.96 1i50 n ASP 895 N -1.52 0.00 -0.34 0.27 9.92 -1.26 -0.06 116.55 123.56 1i50 n ASP 895 Ca 0.03 0.24 0.14 0.00 -0.53 0.00 0.00 54.79 54.67 1i50 n ASP 895 Cb 0.61 -0.33 0.56 0.00 -0.64 0.00 0.00 41.12 41.33 1i50 n ASP 895 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1i50 n ASP 896 N -1.33 1.13 0.00 -2.24 5.75 -1.26 -4.06 116.55 114.53 1i50 n ASP 896 Ca 0.03 -1.24 0.00 0.00 -0.01 0.00 0.00 54.79 53.57 1i50 n ASP 896 Cb 0.07 0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1i50 n ASP 896 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1i50 n GLY 897 N 1.19 0.60 3.07 6.12 0.00 0.91 -3.89 105.19 113.19 1i50 n GLY 897 Ca 0.18 -0.29 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 1i50 n GLY 897 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i50 s LEU 898 N 0.00 2.16 0.89 0.99 1.43 -1.24 -0.92 118.68 121.99 1i50 s LEU 898 Ca 0.00 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 52.58 1i50 s LEU 898 Cb 0.00 -0.37 0.13 0.00 0.03 0.00 0.00 46.19 45.98 1i50 s LEU 898 CO 0.00 -0.04 1.14 -0.63 0.23 0.00 0.00 176.35 177.05 1i50 s ILE 899 N -0.85 2.11 0.07 -0.59 1.01 -1.22 -1.52 121.20 120.22 1i50 s ILE 899 Ca -0.02 0.04 0.10 0.00 0.00 0.00 0.00 60.65 60.76 1i50 s ILE 899 Cb -0.07 -2.81 -0.03 0.00 0.01 0.00 0.00 42.46 39.56 1i50 s ILE 899 CO 0.01 -0.05 -0.26 0.00 0.00 0.00 0.00 174.94 174.63 1i50 s ALA 900 N -3.29 2.28 0.17 9.38 0.00 -1.26 -4.88 121.76 124.15 1i50 s ALA 900 Ca 0.63 -1.32 -0.32 0.00 0.00 0.00 0.00 51.96 50.95 1i50 s ALA 900 Cb -0.14 -0.45 -0.17 0.00 0.00 0.00 0.00 23.12 22.36 1i50 s ALA 900 CO 0.53 0.53 0.92 -2.30 0.00 0.00 0.00 175.76 175.44 1i50 n PRO 901 N 1.54 0.62 0.00 0.00 -0.02 -1.26 -1.87 135.00 134.01 1i50 n PRO 901 Ca -0.17 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1i50 n PRO 901 Cb 0.52 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 1i50 n PRO 901 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i50 n GLY 902 N 1.80 2.45 3.70 -1.23 0.00 -0.63 -5.00 105.19 106.29 1i50 n GLY 902 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1i50 n GLY 902 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i50 s VAL 903 N -2.53 3.51 -0.07 1.61 1.01 -0.78 -4.77 120.40 118.39 1i50 s VAL 903 Ca 0.00 0.99 -0.27 0.00 0.00 0.00 0.00 61.98 62.70 1i50 s VAL 903 Cb 0.00 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 1i50 s VAL 903 CO 0.00 0.03 0.89 -0.60 0.00 0.00 0.00 175.10 175.42 1i50 s ARG 904 N 1.90 4.45 0.33 2.72 3.52 -1.26 -1.63 118.95 128.98 1i50 s ARG 904 Ca 0.65 1.21 0.08 0.00 -0.13 0.00 0.00 55.73 57.54 1i50 s ARG 904 Cb -0.34 -3.50 -0.06 0.00 -1.56 0.00 0.00 34.95 29.49 1i50 s ARG 904 CO 0.28 -0.13 -0.07 0.14 -0.81 0.00 0.00 175.30 174.71 1i50 s VAL 905 N 1.38 2.02 0.00 7.11 -7.23 -0.84 -4.98 120.40 117.86 1i50 s VAL 905 Ca 0.45 -2.16 0.00 0.00 -1.81 0.00 0.00 61.98 58.46 1i50 s VAL 905 Cb -0.19 -2.63 0.00 0.00 0.56 0.00 0.00 36.38 34.13 1i50 s VAL 905 CO 0.21 -0.21 0.00 -1.54 -0.31 0.00 0.00 175.10 173.25 1i50 n SER 906 N -0.75 1.87 0.00 4.85 3.41 -1.26 -2.67 113.62 119.07 1i50 n SER 906 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1i50 n SER 906 Cb 0.64 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 1i50 n SER 906 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i50 n GLY 907 N 0.00 0.29 1.25 5.00 0.00 -1.26 -2.53 105.19 107.93 1i50 n GLY 907 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.05 1i50 n GLY 907 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i50 n GLU 908 N 2.09 3.19 -1.14 1.61 1.02 -1.26 -4.35 120.64 121.80 1i50 n GLU 908 Ca 0.00 -2.98 -0.37 0.00 -0.02 0.00 0.00 57.16 53.79 1i50 n GLU 908 Cb 0.00 -1.96 0.04 0.00 -0.02 0.00 0.00 31.44 29.49 1i50 n GLU 908 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1i50 n ASP 909 N -0.38 -4.12 -4.72 1.62 9.92 -1.05 -3.96 116.55 113.86 1i50 n ASP 909 Ca 0.27 0.45 -0.38 0.00 -0.53 0.00 0.00 54.79 54.60 1i50 n ASP 909 Cb 1.04 -0.89 -0.06 0.00 -0.64 0.00 0.00 41.12 40.57 1i50 n ASP 909 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1i50 s VAL 910 N -2.00 5.18 -0.22 2.53 1.01 -1.19 0.67 120.40 126.38 1i50 s VAL 910 Ca 0.52 0.95 0.03 0.00 0.00 0.00 0.00 61.98 63.48 1i50 s VAL 910 Cb -0.34 -3.82 -0.20 0.00 0.00 0.00 0.00 36.38 32.03 1i50 s VAL 910 CO 0.71 0.31 -0.07 -0.38 0.00 0.00 0.00 175.10 175.68 1i50 n ILE 911 N 3.75 1.53 -3.86 2.22 5.41 0.89 -4.63 119.36 124.66 1i50 n ILE 911 Ca -0.07 -0.63 -0.28 0.00 1.00 0.00 0.00 62.75 62.77 1i50 n ILE 911 Cb 0.51 -1.33 -0.16 0.00 -0.71 0.00 0.00 39.64 37.96 1i50 n ILE 911 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1i50 s ILE 912 N -2.52 1.03 -0.11 1.39 1.01 -1.00 -3.37 121.20 117.63 1i50 s ILE 912 Ca -0.29 -0.72 -0.23 0.00 0.00 0.00 0.00 60.65 59.42 1i50 s ILE 912 Cb 0.08 -1.31 -0.03 0.00 0.01 0.00 0.00 42.46 41.21 1i50 s ILE 912 CO 0.67 -0.00 0.70 -0.83 0.00 0.00 0.00 174.94 175.47 1i50 s GLY 913 N 1.65 2.42 0.06 6.18 0.00 -0.09 -1.00 107.32 116.54 1i50 s GLY 913 Ca -0.01 0.03 -0.05 0.00 0.00 0.00 0.00 44.72 44.69 1i50 s GLY 913 CO -0.07 1.26 0.08 1.25 0.00 0.00 0.00 173.10 175.62 1i50 s LYS 914 N 1.21 0.69 0.05 2.90 2.20 0.29 -2.56 119.74 124.52 1i50 s LYS 914 Ca 0.35 -1.03 -0.10 0.00 -0.36 0.00 0.00 55.97 54.83 1i50 s LYS 914 Cb -0.17 0.26 0.01 0.00 -1.51 0.00 0.00 37.83 36.42 1i50 s LYS 914 CO 0.15 -0.18 0.21 0.99 -0.36 0.00 0.00 175.35 176.17 1i50 s THR 915 N -3.64 0.11 -0.14 3.43 2.01 -0.92 -1.63 115.64 114.86 1i50 s THR 915 Ca 0.04 -0.90 -0.05 0.00 0.31 0.00 0.00 61.69 61.09 1i50 s THR 915 Cb 0.05 -0.97 0.07 0.00 0.01 0.00 0.00 72.50 71.65 1i50 s THR 915 CO -0.09 -0.50 0.28 -0.89 -0.69 0.00 0.00 174.62 172.73 1i50 s THR 916 N -2.75 -0.42 -0.68 -0.82 2.01 -0.15 -2.38 115.64 110.44 1i50 s THR 916 Ca -0.04 0.26 -0.21 0.00 0.31 0.00 0.00 61.69 62.01 1i50 s THR 916 Cb -0.00 -0.47 0.09 0.00 0.01 0.00 0.00 72.50 72.13 1i50 s THR 916 CO -0.05 0.11 0.92 -2.16 -0.69 0.00 0.00 174.62 172.75 1i50 s PRO 917 N 2.37 3.17 -0.22 4.92 0.04 -1.23 -1.49 135.00 142.56 1i50 s PRO 917 Ca 0.00 -1.11 -0.11 0.00 0.04 0.00 0.00 61.00 59.82 1i50 s PRO 917 Cb -0.12 -4.34 -0.05 0.00 0.04 0.00 0.00 34.50 30.03 1i50 s PRO 917 CO -0.09 -1.74 0.19 0.42 0.04 0.00 0.00 177.00 175.82 1i50 s ILE 918 N 3.48 5.35 -1.28 0.56 1.01 -1.26 -4.82 121.20 124.23 1i50 s ILE 918 Ca 0.21 0.27 -0.15 0.00 0.00 0.00 0.00 60.65 60.98 1i50 s ILE 918 Cb -0.17 -3.53 0.12 0.00 0.01 0.00 0.00 42.46 38.89 1i50 s ILE 918 CO 0.06 0.36 1.68 -1.54 0.00 0.00 0.00 174.94 175.50 1i50 n SER 919 N 4.10 4.97 0.00 3.58 3.41 -1.26 -5.11 113.62 123.32 1i50 n SER 919 Ca -0.14 -2.96 0.00 0.00 -0.26 0.00 0.00 58.87 55.51 1i50 n SER 919 Cb 0.52 -1.63 0.00 0.00 -0.26 0.00 0.00 64.21 62.84 1i50 n SER 919 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1i50 n SER 933 N 6.42 0.00 -4.02 4.04 3.41 -1.26 -5.32 113.62 116.88 1i50 n SER 933 Ca 0.43 0.13 -0.31 0.00 -0.26 0.00 0.00 58.87 58.86 1i50 n SER 933 Cb 0.43 -0.17 -0.16 0.00 -0.26 0.00 0.00 64.21 64.05 1i50 n SER 933 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1i50 s LYS 934 N -0.34 2.15 -0.27 4.33 1.02 -1.26 -3.48 119.74 121.89 1i50 s LYS 934 Ca 0.00 -1.00 -0.07 0.00 0.02 0.00 0.00 55.97 54.92 1i50 s LYS 934 Cb 0.00 -2.58 -0.01 0.00 -0.52 0.00 0.00 37.83 34.71 1i50 s LYS 934 CO 0.00 -0.46 0.07 1.03 -0.92 0.00 0.00 175.35 175.07 1i50 s ARG 935 N 1.30 3.42 -0.09 1.68 0.52 -0.55 -4.29 118.95 120.95 1i50 s ARG 935 Ca -0.03 -0.63 -0.29 0.00 -0.52 0.00 0.00 55.73 54.25 1i50 s ARG 935 Cb -0.17 -3.34 -0.06 0.00 0.52 0.00 0.00 34.95 31.89 1i50 s ARG 935 CO -0.08 -0.29 1.97 0.34 0.02 0.00 0.00 175.30 177.26 1i50 s ASP 936 N 1.57 6.14 -0.15 0.23 -1.08 -0.81 -0.98 116.67 121.58 1i50 s ASP 936 Ca 0.05 2.24 0.00 0.00 -0.52 0.00 0.00 52.55 54.32 1i50 s ASP 936 Cb -0.16 -2.52 -0.00 0.00 -1.46 0.00 0.00 42.92 38.77 1i50 s ASP 936 CO 0.03 -1.36 -0.15 0.00 0.52 0.00 0.00 175.17 174.21 1i50 s ALA 937 N 5.75 2.52 -0.17 3.66 0.00 -0.65 -4.87 121.76 128.01 1i50 s ALA 937 Ca 0.89 -1.03 -0.31 0.00 0.00 0.00 0.00 51.96 51.50 1i50 s ALA 937 Cb -0.36 -1.24 0.14 0.00 0.00 0.00 0.00 23.12 21.66 1i50 s ALA 937 CO 0.37 -0.02 1.10 -1.54 0.00 0.00 0.00 175.76 175.67 1i50 s SER 938 N 0.79 -0.25 -0.35 0.00 1.04 -1.26 -0.55 113.70 113.12 1i50 s SER 938 Ca -0.05 0.18 -0.10 0.00 0.48 0.00 0.00 55.95 56.45 1i50 s SER 938 Cb -0.15 0.23 0.02 0.00 0.10 0.00 0.00 66.02 66.21 1i50 s SER 938 CO 0.00 -0.30 0.18 -0.89 0.98 0.00 0.00 173.24 173.20 1i50 s THR 939 N -1.72 4.48 0.30 2.02 2.01 -0.17 -4.98 115.64 117.58 1i50 s THR 939 Ca 0.04 -0.74 -0.04 0.00 0.31 0.00 0.00 61.69 61.25 1i50 s THR 939 Cb -0.01 -3.43 -0.05 0.00 0.01 0.00 0.00 72.50 69.02 1i50 s THR 939 CO -0.03 -0.13 0.56 -2.16 -0.69 0.00 0.00 174.62 172.17 1i50 s PRO 940 N 1.56 3.61 0.47 4.92 0.04 -1.26 -0.08 135.00 144.26 1i50 s PRO 940 Ca 0.02 -0.02 -0.23 0.00 0.04 0.00 0.00 61.00 60.81 1i50 s PRO 940 Cb -0.18 -2.64 -0.07 0.00 0.04 0.00 0.00 34.50 31.64 1i50 s PRO 940 CO 0.06 0.20 1.18 -1.17 0.04 0.00 0.00 177.00 177.30 1i50 s LEU 941 N -3.65 3.99 0.14 -3.56 2.96 0.21 -4.81 118.68 113.96 1i50 s LEU 941 Ca 0.44 2.33 -0.35 0.00 -0.22 0.00 0.00 54.13 56.33 1i50 s LEU 941 Cb -0.11 -4.26 -0.15 0.00 0.50 0.00 0.00 46.19 42.18 1i50 s LEU 941 CO 0.31 -0.97 1.48 0.54 -1.32 0.00 0.00 176.35 176.39 1i50 n ARG 942 N -0.56 1.80 -0.35 1.98 1.74 -1.26 -4.51 116.66 115.49 1i50 n ARG 942 Ca 0.08 0.65 0.16 0.00 -0.77 0.00 0.00 57.85 57.97 1i50 n ARG 942 Cb 0.48 -2.37 0.37 0.00 -1.02 0.00 0.00 32.46 29.92 1i50 n ARG 942 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1i50 h SER 943 N 5.35 0.70 -0.80 0.55 4.64 -1.92 -1.26 113.55 120.81 1i50 h SER 943 Ca -0.46 0.13 -0.33 0.00 -0.47 0.00 0.00 61.79 60.66 1i50 h SER 943 Cb 1.28 0.01 -0.20 0.00 -0.31 0.00 0.00 62.40 63.19 1i50 h SER 943 CO 0.84 0.15 0.42 0.35 -0.87 0.00 0.00 176.83 177.72 1i50 n THR 944 N -4.86 2.89 -4.24 2.95 -2.24 -1.26 -4.76 114.28 102.76 1i50 n THR 944 Ca 0.26 -1.62 -0.18 0.00 -2.27 0.00 0.00 64.05 60.24 1i50 n THR 944 Cb 0.70 -0.45 -0.11 0.00 -2.10 0.00 0.00 70.33 68.37 1i50 n THR 944 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1i50 s GLU 945 N -2.91 1.03 -0.30 -0.78 2.02 -0.48 -4.85 118.70 112.43 1i50 s GLU 945 Ca 0.52 -1.25 -0.15 0.00 0.02 0.00 0.00 54.97 54.11 1i50 s GLU 945 Cb 0.42 -0.89 0.18 0.00 0.10 0.00 0.00 34.13 33.94 1i50 s GLU 945 CO 0.12 0.17 1.11 0.54 0.02 0.00 0.00 175.26 177.21 1i50 s ASN 946 N -2.49 -0.35 0.00 -0.19 4.22 -1.26 -4.24 114.94 110.63 1i50 s ASN 946 Ca 0.09 0.26 0.00 0.00 -2.14 0.00 0.00 52.86 51.08 1i50 s ASN 946 Cb -0.05 1.31 0.00 0.00 1.28 0.00 0.00 41.25 43.80 1i50 s ASN 946 CO 0.03 -0.07 0.00 0.61 -2.04 0.00 0.00 177.10 175.63 1i50 n GLY 947 N 5.35 4.62 3.02 0.45 0.00 -1.09 -4.92 105.19 112.62 1i50 n GLY 947 Ca -0.08 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 1i50 n GLY 947 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i50 s ILE 948 N 3.42 -0.01 0.04 -0.61 1.01 0.00 -1.99 121.20 123.05 1i50 s ILE 948 Ca 0.00 0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.40 1i50 s ILE 948 Cb 0.00 -0.24 -0.08 0.00 0.01 0.00 0.00 42.46 42.14 1i50 s ILE 948 CO 0.00 0.02 1.86 -0.69 0.00 0.00 0.00 174.94 176.13 1i50 s VAL 949 N 0.40 3.04 -0.14 2.92 1.01 -0.65 -0.09 120.40 126.89 1i50 s VAL 949 Ca -0.03 0.19 0.18 0.00 0.00 0.00 0.00 61.98 62.32 1i50 s VAL 949 Cb -0.04 -3.12 -0.25 0.00 0.00 0.00 0.00 36.38 32.97 1i50 s VAL 949 CO -0.02 -0.01 0.31 -0.67 0.00 0.00 0.00 175.10 174.71 1i50 n ASP 950 N 7.00 0.23 -3.65 3.32 -0.08 0.54 -1.60 116.55 122.31 1i50 n ASP 950 Ca 0.19 0.11 -0.02 0.00 -1.51 0.00 0.00 54.79 53.56 1i50 n ASP 950 Cb 0.41 0.89 -0.07 0.00 2.34 0.00 0.00 41.12 44.69 1i50 n ASP 950 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1i50 s GLN 951 N -2.71 0.19 -0.11 -0.67 -0.21 -0.94 -4.93 119.66 110.28 1i50 s GLN 951 Ca -0.08 0.28 0.02 0.00 0.02 0.00 0.00 55.36 55.61 1i50 s GLN 951 Cb 0.08 0.06 -0.01 0.00 1.00 0.00 0.00 33.01 34.14 1i50 s GLN 951 CO 0.84 -0.03 -0.20 0.08 -2.12 0.00 0.00 175.29 173.86 1i50 s VAL 952 N 0.73 2.45 -0.07 1.09 1.01 -1.26 -0.42 120.40 123.93 1i50 s VAL 952 Ca -0.03 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.12 1i50 s VAL 952 Cb -0.04 -1.98 -0.00 0.00 0.00 0.00 0.00 36.38 34.36 1i50 s VAL 952 CO -0.12 0.55 -0.22 -0.22 0.00 0.00 0.00 175.10 175.08 1i50 s LEU 953 N 0.34 2.01 -0.16 3.92 0.20 -0.29 -4.98 118.68 119.72 1i50 s LEU 953 Ca -0.16 -0.48 0.00 0.00 0.69 0.00 0.00 54.13 54.18 1i50 s LEU 953 Cb -0.17 -1.27 0.00 0.00 -0.43 0.00 0.00 46.19 44.32 1i50 s LEU 953 CO 0.08 0.18 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.47 1i50 s VAL 954 N 0.12 2.51 0.00 1.68 1.01 -1.26 -0.77 120.40 123.69 1i50 s VAL 954 Ca -0.10 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.07 1i50 s VAL 954 Cb -0.15 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.17 1i50 s VAL 954 CO 0.05 0.52 0.00 0.41 0.00 0.00 0.00 175.10 176.08 1i50 n THR 955 N 4.24 0.00 -4.04 3.92 -1.04 0.10 -4.92 114.28 112.55 1i50 n THR 955 Ca -0.19 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.70 1i50 n THR 955 Cb 0.51 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.91 1i50 n THR 955 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1i50 s THR 956 N -1.77 0.41 0.00 12.58 2.01 -1.24 0.14 115.64 127.77 1i50 s THR 956 Ca 0.00 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 61.00 1i50 s THR 956 Cb 0.00 -0.50 0.00 0.00 0.01 0.00 0.00 72.50 72.01 1i50 s THR 956 CO 0.00 -0.40 0.00 -3.20 -0.69 0.00 0.00 174.62 170.33 1i50 n ASN 957 N 1.56 0.00 0.09 3.53 2.85 -0.36 -4.83 115.26 118.10 1i50 n ASN 957 Ca -0.23 -0.36 0.13 0.00 -0.11 0.00 0.00 54.58 54.01 1i50 n ASN 957 Cb 0.55 0.00 0.32 0.00 1.24 0.00 0.00 39.78 41.89 1i50 n ASN 957 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1i50 n GLN 958 N -0.36 0.27 -0.57 1.20 6.02 -1.26 -2.89 117.38 119.78 1i50 n GLN 958 Ca 0.00 0.17 0.09 0.00 -0.01 0.00 0.00 57.00 57.25 1i50 n GLN 958 Cb 0.00 -1.76 0.33 0.00 1.02 0.00 0.00 30.24 29.82 1i50 n GLN 958 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1i50 n ASP 959 N -2.21 4.55 -2.75 1.08 8.00 -1.26 -4.10 116.55 119.85 1i50 n ASP 959 Ca 0.05 -2.55 -0.18 0.00 0.71 0.00 0.00 54.79 52.82 1i50 n ASP 959 Cb 0.43 -0.55 0.06 0.00 -0.02 0.00 0.00 41.12 41.04 1i50 n ASP 959 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i50 n GLY 960 N 0.74 -0.15 3.80 0.44 0.00 -1.14 -5.00 105.19 103.88 1i50 n GLY 960 Ca 0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 1i50 n GLY 960 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i50 s LEU 961 N -5.60 4.40 0.06 0.99 1.43 -1.26 -4.78 118.68 113.92 1i50 s LEU 961 Ca 0.43 0.86 -0.31 0.00 -1.03 0.00 0.00 54.13 54.08 1i50 s LEU 961 Cb -0.19 -2.57 -0.06 0.00 0.03 0.00 0.00 46.19 43.40 1i50 s LEU 961 CO 0.53 0.23 1.27 -0.54 0.23 0.00 0.00 176.35 178.06 1i50 s LYS 962 N -0.52 4.38 0.10 1.70 1.02 -1.26 -1.22 119.74 123.95 1i50 s LYS 962 Ca 0.23 1.86 0.09 0.00 0.02 0.00 0.00 55.97 58.17 1i50 s LYS 962 Cb -0.16 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 33.75 1i50 s LYS 962 CO 0.11 -0.35 -0.21 -0.06 -0.92 0.00 0.00 175.35 173.93 1i50 s PHE 963 N 1.29 2.47 -0.06 3.18 0.40 0.37 -4.05 117.98 121.57 1i50 s PHE 963 Ca 0.60 -0.30 -0.03 0.00 -0.60 0.00 0.00 56.93 56.61 1i50 s PHE 963 Cb -0.31 -1.35 0.04 0.00 0.51 0.00 0.00 43.02 41.91 1i50 s PHE 963 CO 0.29 0.33 0.13 0.08 0.70 0.00 0.00 175.22 176.74 1i50 s VAL 964 N -1.05 -0.13 -0.19 -0.44 1.01 -1.06 0.02 120.40 118.56 1i50 s VAL 964 Ca 0.16 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1i50 s VAL 964 Cb -0.10 -0.23 0.04 0.00 0.00 0.00 0.00 36.38 36.09 1i50 s VAL 964 CO 0.08 0.11 -0.09 -0.54 0.00 0.00 0.00 175.10 174.66 1i50 s LYS 965 N 1.62 1.86 -0.28 2.72 1.02 0.05 -2.22 119.74 124.50 1i50 s LYS 965 Ca -0.04 -0.74 -0.07 0.00 0.02 0.00 0.00 55.97 55.13 1i50 s LYS 965 Cb -0.12 -2.29 -0.00 0.00 -0.52 0.00 0.00 37.83 34.89 1i50 s LYS 965 CO -0.05 -0.43 0.09 0.08 -0.92 0.00 0.00 175.35 174.12 1i50 s VAL 966 N 1.47 4.17 -0.22 3.17 1.01 0.11 -1.14 120.40 128.96 1i50 s VAL 966 Ca -0.01 -0.50 -0.10 0.00 0.00 0.00 0.00 61.98 61.38 1i50 s VAL 966 Cb -0.16 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 1i50 s VAL 966 CO -0.08 0.15 0.13 -0.60 0.00 0.00 0.00 175.10 174.70 1i50 s ARG 967 N 1.55 4.05 -0.12 2.72 3.52 0.44 0.64 118.95 131.75 1i50 s ARG 967 Ca 0.04 -0.29 -0.01 0.00 -0.13 0.00 0.00 55.73 55.34 1i50 s ARG 967 Cb -0.17 -3.45 -0.03 0.00 -1.56 0.00 0.00 34.95 29.75 1i50 s ARG 967 CO 0.03 0.12 -0.07 0.08 -0.81 0.00 0.00 175.30 174.65 1i50 s VAL 968 N 0.87 3.62 -0.10 7.11 1.01 0.74 -0.34 120.40 133.31 1i50 s VAL 968 Ca 0.07 -0.47 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 1i50 s VAL 968 Cb -0.13 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1i50 s VAL 968 CO 0.03 0.54 0.05 -0.60 0.00 0.00 0.00 175.10 175.11 1i50 s ARG 969 N -0.05 3.20 -0.02 2.72 3.52 0.87 -2.10 118.95 127.08 1i50 s ARG 969 Ca 0.00 -0.31 -0.03 0.00 -0.13 0.00 0.00 55.73 55.26 1i50 s ARG 969 Cb -0.13 -2.95 0.00 0.00 -1.56 0.00 0.00 34.95 30.31 1i50 s ARG 969 CO 0.03 0.70 0.07 0.99 -0.81 0.00 0.00 175.30 176.28 1i50 s THR 970 N -0.85 0.01 -0.15 4.11 2.01 0.57 -0.82 115.64 120.53 1i50 s THR 970 Ca 0.13 -0.11 -0.08 0.00 0.31 0.00 0.00 61.69 61.94 1i50 s THR 970 Cb -0.12 -0.14 -0.04 0.00 0.01 0.00 0.00 72.50 72.21 1i50 s THR 970 CO 0.03 -0.06 0.15 -0.89 -0.69 0.00 0.00 174.62 173.15 1i50 s THR 971 N -0.16 5.46 -0.22 -0.82 2.01 -1.26 0.66 115.64 121.32 1i50 s THR 971 Ca -0.02 0.22 -0.01 0.00 0.31 0.00 0.00 61.69 62.20 1i50 s THR 971 Cb -0.02 -3.44 0.02 0.00 0.01 0.00 0.00 72.50 69.07 1i50 s THR 971 CO 0.00 0.54 -0.12 -0.54 -0.69 0.00 0.00 174.62 173.82 1i50 s LYS 972 N -0.46 2.97 -0.19 4.92 1.02 0.11 -4.96 119.74 123.14 1i50 s LYS 972 Ca 0.13 -0.87 -0.09 0.00 0.02 0.00 0.00 55.97 55.15 1i50 s LYS 972 Cb -0.12 -2.81 -0.05 0.00 -0.52 0.00 0.00 37.83 34.33 1i50 s LYS 972 CO 0.02 -0.29 0.11 0.42 -0.92 0.00 0.00 175.35 174.69 1i50 s ILE 973 N 1.33 5.23 -0.12 2.17 1.01 -1.26 -1.89 121.20 127.67 1i50 s ILE 973 Ca 0.03 0.12 -0.41 0.00 0.00 0.00 0.00 60.65 60.39 1i50 s ILE 973 Cb -0.15 -3.37 -0.19 0.00 0.01 0.00 0.00 42.46 38.76 1i50 s ILE 973 CO -0.08 0.45 1.31 -2.65 0.00 0.00 0.00 174.94 173.98 1i50 n PRO 974 N 3.45 0.35 -4.33 2.79 -0.02 -1.26 -4.96 135.00 131.02 1i50 n PRO 974 Ca -0.16 0.13 -0.18 0.00 -2.02 0.00 0.00 63.50 61.27 1i50 n PRO 974 Cb 0.52 -1.68 -0.10 0.00 -0.02 0.00 0.00 33.50 32.23 1i50 n PRO 974 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1i50 s GLN 975 N 1.12 1.53 0.23 -0.52 -0.21 -1.26 -5.07 119.66 115.47 1i50 s GLN 975 Ca 0.93 -1.86 -0.30 0.00 0.02 0.00 0.00 55.36 54.16 1i50 s GLN 975 Cb -1.24 -0.18 -0.10 0.00 1.00 0.00 0.00 33.01 32.50 1i50 s GLN 975 CO 0.61 -0.39 1.48 0.42 -2.12 0.00 0.00 175.29 175.29 1i50 s ILE 976 N -3.66 2.63 0.00 1.08 1.01 -1.26 -2.54 121.20 118.46 1i50 s ILE 976 Ca 0.36 0.51 0.00 0.00 0.00 0.00 0.00 60.65 61.52 1i50 s ILE 976 Cb 0.06 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 39.20 1i50 s ILE 976 CO 0.16 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.78 1i50 n GLY 977 N 2.59 1.91 3.80 6.18 0.00 0.10 -4.84 105.19 114.94 1i50 n GLY 977 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1i50 n GLY 977 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i50 s ASP 978 N -1.48 6.39 -0.02 1.61 1.01 -1.05 -4.29 116.67 118.84 1i50 s ASP 978 Ca 0.00 1.94 -0.14 0.00 0.71 0.00 0.00 52.55 55.06 1i50 s ASP 978 Cb 0.00 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.31 1i50 s ASP 978 CO 0.00 -0.75 0.38 -0.54 0.21 0.00 0.00 175.17 174.47 1i50 s LYS 979 N -3.15 3.88 0.03 8.23 1.02 -1.26 -1.64 119.74 126.84 1i50 s LYS 979 Ca 0.66 0.34 -0.03 0.00 0.02 0.00 0.00 55.97 56.97 1i50 s LYS 979 Cb -0.17 -3.23 -0.02 0.00 -0.52 0.00 0.00 37.83 33.90 1i50 s LYS 979 CO 0.21 0.68 0.03 -0.06 -0.92 0.00 0.00 175.35 175.28 1i50 s PHE 980 N -0.99 0.26 -0.06 3.18 0.08 0.43 -1.56 117.98 119.32 1i50 s PHE 980 Ca 0.23 -0.56 -0.28 0.00 0.12 0.00 0.00 56.93 56.43 1i50 s PHE 980 Cb -0.16 -0.19 0.06 0.00 -0.57 0.00 0.00 43.02 42.16 1i50 s PHE 980 CO 0.12 -0.29 0.63 0.00 -0.10 0.00 0.00 175.22 175.58 1i50 s ALA 981 N -2.20 -1.63 0.75 5.36 0.00 -0.48 -0.26 121.76 123.29 1i50 s ALA 981 Ca -0.09 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.11 1i50 s ALA 981 Cb -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.00 1i50 s ALA 981 CO -0.03 -0.35 0.00 -1.13 0.00 0.00 0.00 175.76 174.25 1i50 n SER 982 N 1.11 0.00 -2.11 0.00 3.41 -1.25 -0.08 113.62 114.69 1i50 n SER 982 Ca -0.19 -0.87 -0.23 0.00 -0.26 0.00 0.00 58.87 57.32 1i50 n SER 982 Cb 0.57 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.67 1i50 n SER 982 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1i50 n ARG 983 N -0.87 2.16 -1.53 4.33 1.74 -1.26 -4.42 116.66 116.80 1i50 n ARG 983 Ca 0.00 -2.70 -0.07 0.00 -0.77 0.00 0.00 57.85 54.31 1i50 n ARG 983 Cb 0.00 -2.06 0.09 0.00 -1.02 0.00 0.00 32.46 29.47 1i50 n ARG 983 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1i50 n HIS 984 N -0.92 1.27 -2.81 -1.55 8.25 -1.26 -4.69 115.22 113.51 1i50 n HIS 984 Ca 0.54 -1.76 -0.18 0.00 -0.26 0.00 0.00 57.72 56.05 1i50 n HIS 984 Cb 1.43 -0.27 0.03 0.00 1.12 0.00 0.00 29.99 32.29 1i50 n HIS 984 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i50 n GLY 985 N -0.72 -0.29 2.70 -1.41 0.00 -1.25 -4.86 105.19 99.35 1i50 n GLY 985 Ca 0.27 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 1i50 n GLY 985 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1i50 s GLN 986 N -5.40 0.21 0.75 1.61 2.00 -1.26 -4.80 119.66 112.77 1i50 s GLN 986 Ca 0.22 -0.03 -0.03 0.00 -2.00 0.00 0.00 55.36 53.51 1i50 s GLN 986 Cb -0.10 -1.13 0.13 0.00 0.80 0.00 0.00 33.01 32.71 1i50 s GLN 986 CO 0.27 -0.81 1.03 -1.59 -0.50 0.00 0.00 175.29 173.69 1i50 s LYS 987 N 2.28 1.60 0.03 1.67 -2.85 -1.26 -3.92 119.74 117.28 1i50 s LYS 987 Ca 0.07 -0.93 -0.28 0.00 -1.00 0.00 0.00 55.97 53.83 1i50 s LYS 987 Cb -0.15 -2.26 0.10 0.00 -2.06 0.00 0.00 37.83 33.46 1i50 s LYS 987 CO -0.21 -1.54 0.83 0.20 0.10 0.00 0.00 175.35 174.73 1i50 s GLY 988 N -4.73 -0.49 0.22 0.59 0.00 0.64 -4.91 107.32 98.64 1i50 s GLY 988 Ca 0.67 0.91 0.08 0.00 0.00 0.00 0.00 44.72 46.38 1i50 s GLY 988 CO 0.45 0.30 -0.01 -0.51 0.00 0.00 0.00 173.10 173.34 1i50 s THR 989 N -3.24 3.56 -0.03 0.90 -4.23 -1.22 -0.43 115.64 110.95 1i50 s THR 989 Ca 0.04 -1.67 -0.30 0.00 -1.18 0.00 0.00 61.69 58.59 1i50 s THR 989 Cb -0.01 -2.84 -0.05 0.00 1.34 0.00 0.00 72.50 70.94 1i50 s THR 989 CO -0.10 -0.23 1.40 -0.63 -0.54 0.00 0.00 174.62 174.52 1i50 s ILE 990 N -1.99 3.81 -0.09 2.99 1.01 -0.65 -0.01 121.20 126.26 1i50 s ILE 990 Ca 0.29 1.14 -0.03 0.00 0.00 0.00 0.00 60.65 62.05 1i50 s ILE 990 Cb -0.08 -3.74 -0.26 0.00 0.01 0.00 0.00 42.46 38.39 1i50 s ILE 990 CO 0.19 -0.03 0.50 1.23 0.00 0.00 0.00 174.94 176.84 1i50 h GLY 991 N 8.73 0.26 -3.22 6.18 0.00 0.13 0.30 103.07 115.44 1i50 h GLY 991 Ca -0.36 -0.66 0.06 0.00 0.00 0.00 0.00 47.33 46.37 1i50 h GLY 991 CO 0.92 0.58 0.39 -1.50 0.00 0.00 0.00 176.54 176.92 1i50 s ILE 992 N -2.57 0.00 0.08 2.60 2.07 -1.21 -4.84 121.20 117.32 1i50 s ILE 992 Ca -0.17 -0.00 0.08 0.00 -1.41 0.00 0.00 60.65 59.15 1i50 s ILE 992 Cb 0.07 -1.01 -0.04 0.00 0.13 0.00 0.00 42.46 41.62 1i50 s ILE 992 CO 0.80 0.00 -0.20 0.42 -1.91 0.00 0.00 174.94 174.04 1i50 s THR 993 N -3.35 2.65 0.12 4.00 -4.23 -1.26 -2.36 115.64 111.20 1i50 s THR 993 Ca 0.04 -1.38 0.08 0.00 -1.18 0.00 0.00 61.69 59.25 1i50 s THR 993 Cb -0.01 -2.14 -0.04 0.00 1.34 0.00 0.00 72.50 71.65 1i50 s THR 993 CO -0.10 0.24 -0.20 -0.31 -0.54 0.00 0.00 174.62 173.70 1i50 s TYR 994 N -0.99 1.79 0.48 3.99 4.12 -0.53 -4.81 117.35 121.40 1i50 s TYR 994 Ca 0.15 -0.43 -0.05 0.00 0.02 0.00 0.00 57.07 56.76 1i50 s TYR 994 Cb -0.10 -0.96 -0.03 0.00 -1.52 0.00 0.00 41.96 39.34 1i50 s TYR 994 CO 0.06 0.23 0.77 1.03 0.02 0.00 0.00 175.55 177.67 1i50 s ARG 995 N -2.11 3.51 0.23 -0.62 0.52 -1.26 0.22 118.95 119.43 1i50 s ARG 995 Ca 0.08 0.15 -0.09 0.00 -0.52 0.00 0.00 55.73 55.35 1i50 s ARG 995 Cb -0.09 -2.39 0.36 0.00 0.52 0.00 0.00 34.95 33.35 1i50 s ARG 995 CO 0.05 -0.20 1.63 -0.09 0.02 0.00 0.00 175.30 176.70 1i50 h ARG 996 N 0.24 0.06 -0.64 3.54 2.43 -1.95 -1.76 114.38 116.30 1i50 h ARG 996 Ca -0.47 -0.00 0.13 0.00 -0.81 0.00 0.00 59.98 58.83 1i50 h ARG 996 Cb 1.21 -0.01 -0.11 0.00 -0.42 0.00 0.00 29.97 30.64 1i50 h ARG 996 CO 0.62 0.04 -0.02 0.93 -1.51 0.00 0.00 179.97 180.03 1i50 h GLU 997 N 0.06 0.10 0.00 0.20 3.07 -1.94 -1.83 114.58 114.24 1i50 h GLU 997 Ca 0.37 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 59.18 1i50 h GLU 997 Cb 0.62 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.51 1i50 h GLU 997 CO -0.68 0.07 -0.24 -0.44 -1.40 0.00 0.00 179.01 176.32 1i50 h ASP 998 N 0.10 0.00 -4.11 1.42 3.32 -1.58 -3.42 116.42 112.16 1i50 h ASP 998 Ca 0.33 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.88 1i50 h ASP 998 Cb 0.54 0.00 0.18 0.00 0.22 0.00 0.00 39.33 40.28 1i50 h ASP 998 CO -0.56 0.24 0.21 -0.32 -1.72 0.00 0.00 179.24 177.10 1i50 s MET 999 N -3.45 0.95 0.45 3.56 1.75 -0.69 -3.99 119.30 117.88 1i50 s MET 999 Ca 0.02 1.31 -0.12 0.00 -1.25 0.00 0.00 55.69 55.65 1i50 s MET 999 Cb 0.09 -1.74 -0.07 0.00 2.84 0.00 0.00 34.83 35.96 1i50 s MET 999 CO 0.66 -2.60 0.84 -1.25 -0.65 0.00 0.00 175.02 172.02 1i50 s PRO 1000N -4.69 3.80 0.17 4.11 0.04 -1.26 -3.03 135.00 134.13 1i50 s PRO 1000Ca 0.66 0.59 0.02 0.00 0.04 0.00 0.00 61.00 62.31 1i50 s PRO 1000Cb -0.22 -2.31 -0.05 0.00 0.04 0.00 0.00 34.50 31.97 1i50 s PRO 1000CO 0.59 -0.13 -0.01 -0.59 0.04 0.00 0.00 177.00 176.90 1i50 s PHE 1001N -2.49 1.20 0.25 0.56 -0.12 0.11 -4.29 117.98 113.20 1i50 s PHE 1001Ca 0.53 -0.99 0.02 0.00 -0.05 0.00 0.00 56.93 56.44 1i50 s PHE 1001Cb -0.10 -0.68 -0.03 0.00 -0.63 0.00 0.00 43.02 41.57 1i50 s PHE 1001CO 0.33 -0.18 0.41 -0.08 -0.05 0.00 0.00 175.22 175.65 1i50 s THR 1002N -3.62 5.21 0.30 -4.49 -1.32 -0.09 -0.65 115.64 110.98 1i50 s THR 1002Ca 0.23 -0.65 0.05 0.00 -1.21 0.00 0.00 61.69 60.11 1i50 s THR 1002Cb 0.06 -3.81 0.29 0.00 -1.51 0.00 0.00 72.50 67.52 1i50 s THR 1002CO 0.03 -0.32 1.74 0.00 -2.21 0.00 0.00 174.62 173.86 1i50 h ALA 1003N 1.40 1.56 0.00 11.08 0.00 -1.90 0.91 119.26 132.30 1i50 h ALA 1003Ca -0.50 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1i50 h ALA 1003Cb 1.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1i50 h ALA 1003CO 0.64 -0.20 0.00 0.39 0.00 0.00 0.00 179.25 180.08 1i50 n GLU 1004N -4.90 0.61 -0.97 0.00 1.02 -1.26 -4.81 120.64 110.33 1i50 n GLU 1004Ca 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 1i50 n GLU 1004Cb 0.61 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.69 1i50 n GLU 1004CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i50 n GLY 1005N 0.18 0.46 3.74 0.62 0.00 0.31 -5.01 105.19 105.49 1i50 n GLY 1005Ca 0.10 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 1i50 n GLY 1005CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i50 s ILE 1006N -2.00 4.38 0.08 -0.61 1.01 -1.24 -4.78 121.20 118.05 1i50 s ILE 1006Ca 0.00 2.04 0.08 0.00 0.00 0.00 0.00 60.65 62.78 1i50 s ILE 1006Cb 0.00 -4.31 -0.03 0.00 0.01 0.00 0.00 42.46 38.13 1i50 s ILE 1006CO 0.00 0.38 -0.22 0.54 0.00 0.00 0.00 174.94 175.64 1i50 s VAL 1007N -0.39 1.79 0.32 2.92 0.11 -1.26 -0.91 120.40 122.98 1i50 s VAL 1007Ca 0.44 -1.45 -0.26 0.00 -2.93 0.00 0.00 61.98 57.78 1i50 s VAL 1007Cb -0.24 -1.60 -0.10 0.00 -1.53 0.00 0.00 36.38 32.92 1i50 s VAL 1007CO 0.30 0.07 0.96 -2.16 -3.33 0.00 0.00 175.10 170.95 1i50 s PRO 1008N -1.64 4.57 0.16 1.54 0.04 -1.26 -4.92 135.00 133.49 1i50 s PRO 1008Ca 0.08 1.39 0.25 0.00 0.04 0.00 0.00 61.00 62.76 1i50 s PRO 1008Cb -0.10 -2.84 0.54 0.00 0.04 0.00 0.00 34.50 32.14 1i50 s PRO 1008CO 0.03 0.25 1.51 -0.25 0.04 0.00 0.00 177.00 178.59 1i50 n ASP 1009N 0.62 0.76 -3.63 6.66 8.00 0.05 -4.48 116.55 124.53 1i50 n ASP 1009Ca 0.02 0.32 -0.11 0.00 0.71 0.00 0.00 54.79 55.72 1i50 n ASP 1009Cb 0.49 -0.25 -0.07 0.00 -0.02 0.00 0.00 41.12 41.27 1i50 n ASP 1009CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1i50 s LEU 1010N -4.38 -0.77 -0.19 0.64 2.96 -1.05 -0.75 118.68 115.14 1i50 s LEU 1010Ca 0.08 1.39 0.01 0.00 -0.22 0.00 0.00 54.13 55.39 1i50 s LEU 1010Cb 0.13 2.36 0.03 0.00 0.50 0.00 0.00 46.19 49.21 1i50 s LEU 1010CO 0.67 -0.23 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.68 1i50 s ILE 1011N 0.74 1.93 0.33 6.68 1.01 0.49 -0.42 121.20 131.97 1i50 s ILE 1011Ca -0.03 -1.01 0.07 0.00 0.00 0.00 0.00 60.65 59.69 1i50 s ILE 1011Cb -0.05 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.55 1i50 s ILE 1011CO -0.06 0.38 0.30 0.27 0.00 0.00 0.00 174.94 175.82 1i50 s ILE 1012N 1.31 3.56 -0.09 2.92 -4.36 -0.48 -2.51 121.20 121.55 1i50 s ILE 1012Ca 0.02 -1.36 -0.16 0.00 -0.26 0.00 0.00 60.65 58.89 1i50 s ILE 1012Cb -0.15 -3.19 -0.05 0.00 1.25 0.00 0.00 42.46 40.32 1i50 s ILE 1012CO -0.11 -0.18 0.40 0.21 0.24 0.00 0.00 174.94 175.51 1i50 s ASN 1013N -4.00 6.66 0.58 4.36 3.84 -1.26 -0.85 114.94 124.28 1i50 s ASN 1013Ca 0.41 0.78 0.33 0.00 0.21 0.00 0.00 52.86 54.60 1i50 s ASN 1013Cb -0.06 -2.25 1.79 0.00 -0.55 0.00 0.00 41.25 40.19 1i50 s ASN 1013CO 0.27 0.14 2.19 1.55 -2.79 0.00 0.00 177.10 178.45 1i50 h PRO 1014N 6.00 0.00 0.00 0.43 0.13 -1.87 -2.42 132.00 134.27 1i50 h PRO 1014Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1i50 h PRO 1014Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1i50 h PRO 1014CO 0.71 0.05 0.00 0.72 -0.23 0.00 0.00 178.00 179.24 1i50 n HIS 1015N -3.48 0.12 -0.42 1.56 8.25 -1.26 -1.40 115.22 118.59 1i50 n HIS 1015Ca -0.02 0.06 0.07 0.00 -0.26 0.00 0.00 57.72 57.56 1i50 n HIS 1015Cb 0.16 -0.59 0.32 0.00 1.12 0.00 0.00 29.99 31.01 1i50 n HIS 1015CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i50 n ALA 1016N -1.54 3.32 -0.08 -1.41 0.00 -0.91 -4.53 120.51 115.36 1i50 n ALA 1016Ca 0.02 -1.47 -0.13 0.00 0.00 0.00 0.00 53.44 51.86 1i50 n ALA 1016Cb 0.09 -1.06 -0.04 0.00 0.00 0.00 0.00 19.45 18.43 1i50 n ALA 1016CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1i50 n ILE 1017N 0.75 1.31 -0.12 0.00 2.08 -0.49 -4.50 119.36 118.38 1i50 n ILE 1017Ca 0.23 -0.00 -0.09 0.00 0.56 0.00 0.00 62.75 63.44 1i50 n ILE 1017Cb 0.91 -2.00 -0.07 0.00 -0.75 0.00 0.00 39.64 37.73 1i50 n ILE 1017CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 1i50 h PRO 1018N -0.75 -0.23 -0.15 0.38 0.11 -1.80 -3.06 132.00 126.50 1i50 h PRO 1018Ca -0.22 0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.83 1i50 h PRO 1018Cb 1.05 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1i50 h PRO 1018CO -0.14 -0.16 -0.24 0.66 -0.21 0.00 0.00 178.00 177.92 1i50 h SER 1019N -0.24 0.26 0.60 -2.05 4.64 -1.87 -3.03 113.55 111.86 1i50 h SER 1019Ca 0.06 -0.07 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 1i50 h SER 1019Cb 0.39 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1i50 h SER 1019CO -0.44 0.50 -0.19 0.03 -0.87 0.00 0.00 176.83 175.87 1i50 h ARG 1020N 0.24 0.00 -2.39 4.77 2.47 -1.76 -3.46 114.38 114.24 1i50 h ARG 1020Ca 0.04 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.46 1i50 h ARG 1020Cb 0.56 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.87 1i50 h ARG 1020CO 0.04 0.19 -0.39 -1.33 0.56 0.00 0.00 179.97 179.04 1i50 n MET 1021N -3.56 -1.70 -2.58 0.04 2.81 -1.14 -4.65 117.12 106.33 1i50 n MET 1021Ca -0.01 0.71 -0.42 0.00 -1.81 0.00 0.00 57.70 56.17 1i50 n MET 1021Cb 0.34 -5.04 0.01 0.00 -0.71 0.00 0.00 33.22 27.82 1i50 n MET 1021CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1i50 n THR 1022N -4.05 5.48 -0.15 2.03 5.66 -1.26 -3.27 114.28 118.73 1i50 n THR 1022Ca -0.16 -5.44 0.01 0.00 -3.05 0.00 0.00 64.05 55.41 1i50 n THR 1022Cb 0.62 -1.92 0.28 0.00 -1.55 0.00 0.00 70.33 67.76 1i50 n THR 1022CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 1i50 h VAL 1023N 2.86 1.18 -0.98 1.08 2.07 -1.92 -2.68 116.25 117.87 1i50 h VAL 1023Ca 0.45 -0.40 0.16 0.00 0.82 0.00 0.00 66.70 67.73 1i50 h VAL 1023Cb 0.45 0.29 -0.09 0.00 -1.52 0.00 0.00 31.29 30.42 1i50 h VAL 1023CO 1.35 0.19 0.61 0.00 0.02 0.00 0.00 177.57 179.74 1i50 h ALA 1024N 1.55 1.69 -0.44 1.67 0.00 -1.84 0.30 119.26 122.19 1i50 h ALA 1024Ca 0.23 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.22 1i50 h ALA 1024Cb -0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1i50 h ALA 1024CO -0.04 0.01 0.21 1.25 0.00 0.00 0.00 179.25 180.68 1i50 h HIS 1025N 0.81 0.38 -0.56 0.00 6.17 -1.81 0.44 115.15 120.58 1i50 h HIS 1025Ca 0.52 0.02 -0.03 0.00 0.71 0.00 0.00 60.37 61.59 1i50 h HIS 1025Cb 0.74 -0.11 -0.02 0.00 2.52 0.00 0.00 27.41 30.53 1i50 h HIS 1025CO -0.00 0.19 0.24 -0.07 0.71 0.00 0.00 177.93 178.99 1i50 h LEU 1026N 0.42 0.75 -0.63 0.26 3.38 -1.09 -2.28 115.31 116.12 1i50 h LEU 1026Ca 0.19 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 1i50 h LEU 1026Cb 0.12 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1i50 h LEU 1026CO -0.15 0.70 -0.44 0.40 0.09 0.00 0.00 178.44 179.04 1i50 h ILE 1027N 0.75 1.31 -0.64 1.22 2.04 -0.59 -2.32 117.51 119.29 1i50 h ILE 1027Ca 0.19 -1.63 -0.00 0.00 1.00 0.00 0.00 64.86 64.42 1i50 h ILE 1027Cb 0.17 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 1i50 h ILE 1027CO -0.02 0.51 0.39 -0.08 0.00 0.00 0.00 178.15 178.96 1i50 h GLU 1028N 0.46 0.85 0.62 2.37 4.81 0.09 0.44 114.58 124.23 1i50 h GLU 1028Ca 0.03 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1i50 h GLU 1028Cb 0.95 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 30.15 1i50 h GLU 1028CO 0.09 0.59 -0.30 0.00 -0.73 0.00 0.00 179.01 178.65 1i50 h LEU 1030N -1.02 -0.92 -0.12 0.00 5.85 -1.04 -0.66 115.31 117.41 1i50 h LEU 1030Ca -0.09 0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1i50 h LEU 1030Cb 0.69 0.44 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 1i50 h LEU 1030CO 0.14 -0.30 -0.09 0.25 -0.34 0.00 0.00 178.44 178.10 1i50 h LEU 1031N -0.24 -0.29 -1.72 2.25 5.85 -0.88 -2.53 115.31 117.75 1i50 h LEU 1031Ca 0.17 0.06 0.05 0.00 0.84 0.00 0.00 57.88 59.00 1i50 h LEU 1031Cb 0.50 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1i50 h LEU 1031CO -0.48 -0.12 0.28 0.28 -0.34 0.00 0.00 178.44 178.06 1i50 h SER 1032N -0.10 0.30 0.28 1.25 0.02 0.53 -1.11 113.55 114.72 1i50 h SER 1032Ca 0.08 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1i50 h SER 1032Cb 0.21 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1i50 h SER 1032CO -0.18 0.20 -0.13 0.50 -1.14 0.00 0.00 176.83 176.08 1i50 h LYS 1033N 0.35 -0.36 -1.00 3.45 3.64 -0.74 -1.75 116.57 120.15 1i50 h LYS 1033Ca 0.18 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.70 1i50 h LYS 1033Cb 0.29 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.11 1i50 h LYS 1033CO -0.04 -0.09 0.63 0.28 -2.27 0.00 0.00 179.45 177.97 1i50 h VAL 1034N -0.61 0.94 -0.43 2.00 2.07 -1.18 -1.13 116.25 117.92 1i50 h VAL 1034Ca -0.04 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 1i50 h VAL 1034Cb 0.44 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 1i50 h VAL 1034CO 0.06 0.19 0.08 0.00 0.02 0.00 0.00 177.57 177.91 1i50 h ALA 1035N 1.53 0.56 -0.44 1.67 0.00 -1.03 -2.14 119.26 119.41 1i50 h ALA 1035Ca 0.49 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 1i50 h ALA 1035Cb 0.45 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1i50 h ALA 1035CO -0.25 0.27 -0.07 0.00 0.00 0.00 0.00 179.25 179.21 1i50 h ALA 1036N 0.94 1.06 0.00 0.00 0.00 -0.61 0.17 119.26 120.81 1i50 h ALA 1036Ca 0.13 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1i50 h ALA 1036Cb 0.36 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1i50 h ALA 1036CO 0.01 0.58 0.00 -0.07 0.00 0.00 0.00 179.25 179.77 1i50 h LEU 1037N 0.70 0.00 -2.09 0.00 3.38 -1.08 -3.28 115.31 112.95 1i50 h LEU 1037Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1i50 h LEU 1037Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1i50 h LEU 1037CO 0.03 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.02 1i50 n SER 1038N -2.52 1.24 -1.26 -0.43 3.41 -0.82 -5.01 113.62 108.24 1i50 n SER 1038Ca 0.03 -1.57 -0.16 0.00 -0.26 0.00 0.00 58.87 56.91 1i50 n SER 1038Cb 0.34 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.22 1i50 n SER 1038CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i50 n GLY 1039N -0.28 1.54 3.76 5.00 0.00 0.56 -4.97 105.19 110.79 1i50 n GLY 1039Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1i50 n GLY 1039CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i50 s ASN 1040N -2.57 5.53 0.06 1.61 0.01 -1.03 -5.04 114.94 113.52 1i50 s ASN 1040Ca 0.00 0.10 -0.30 0.00 -0.71 0.00 0.00 52.86 51.95 1i50 s ASN 1040Cb 0.00 -1.55 -0.05 0.00 0.41 0.00 0.00 41.25 40.06 1i50 s ASN 1040CO 0.00 0.27 1.14 -0.70 -1.51 0.00 0.00 177.10 176.30 1i50 s GLU 1041N -1.70 4.48 0.10 -0.60 2.12 -1.26 -4.46 118.70 117.38 1i50 s GLU 1041Ca 0.22 1.69 -0.30 0.00 0.36 0.00 0.00 54.97 56.94 1i50 s GLU 1041Cb -0.12 -3.36 -0.06 0.00 0.26 0.00 0.00 34.13 30.85 1i50 s GLU 1041CO 0.13 -0.17 0.99 0.20 -0.54 0.00 0.00 175.26 175.87 1i50 s GLY 1042N 0.90 2.96 -0.48 -1.50 0.00 -0.28 -4.96 107.32 103.96 1i50 s GLY 1042Ca 0.56 0.61 -0.18 0.00 0.00 0.00 0.00 44.72 45.71 1i50 s GLY 1042CO 0.30 1.52 0.52 -0.35 0.00 0.00 0.00 173.10 175.09 1i50 s ASP 1043N 0.13 6.19 -0.46 1.64 2.15 -1.26 -0.79 116.67 124.28 1i50 s ASP 1043Ca 0.48 -0.99 0.03 0.00 0.43 0.00 0.00 52.55 52.51 1i50 s ASP 1043Cb -0.24 -2.24 0.47 0.00 -0.30 0.00 0.00 42.92 40.61 1i50 s ASP 1043CO 0.30 -0.75 1.60 0.00 -0.17 0.00 0.00 175.17 176.16 1i50 n ALA 1044N 5.75 5.52 -2.00 3.66 0.00 0.64 -4.95 120.51 129.13 1i50 n ALA 1044Ca -0.08 -3.55 -0.40 0.00 0.00 0.00 0.00 53.44 49.40 1i50 n ALA 1044Cb 0.45 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.83 1i50 n ALA 1044CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1i50 s SER 1045N -2.65 7.52 0.73 0.00 0.01 -1.25 0.55 113.70 118.61 1i50 s SER 1045Ca 0.56 1.80 -0.13 0.00 1.31 0.00 0.00 55.95 59.49 1i50 s SER 1045Cb 0.45 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 64.16 1i50 s SER 1045CO 0.02 0.09 1.14 -2.16 0.41 0.00 0.00 173.24 172.74 1i50 s PRO 1046N -0.74 2.29 -1.25 12.44 0.04 -1.26 -4.03 135.00 142.49 1i50 s PRO 1046Ca 0.41 1.47 -0.01 0.00 0.04 0.00 0.00 61.00 62.91 1i50 s PRO 1046Cb -0.24 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1i50 s PRO 1046CO 0.29 -1.66 0.90 1.19 0.04 0.00 0.00 177.00 177.76 1i50 n PHE 1047N -2.95 -2.12 -4.28 0.56 0.99 -1.26 -4.79 117.46 103.61 1i50 n PHE 1047Ca 0.11 0.91 -0.14 0.00 -0.00 0.00 0.00 57.45 58.33 1i50 n PHE 1047Cb 0.52 -4.82 -0.04 0.00 -1.00 0.00 0.00 39.48 34.14 1i50 n PHE 1047CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1i50 n THR 1048N -4.23 0.00 -0.57 4.37 -2.24 -1.26 -4.99 114.28 105.37 1i50 n THR 1048Ca -0.28 -1.23 0.10 0.00 -2.27 0.00 0.00 64.05 60.37 1i50 n THR 1048Cb 0.67 0.41 0.35 0.00 -2.10 0.00 0.00 70.33 69.65 1i50 n THR 1048CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1i50 n ASP 1049N -1.68 4.56 -4.77 3.42 8.00 -1.26 -4.96 116.55 119.85 1i50 n ASP 1049Ca -0.04 -2.36 -0.41 0.00 0.71 0.00 0.00 54.79 52.69 1i50 n ASP 1049Cb 0.32 -0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 40.84 1i50 n ASP 1049CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1i50 s ILE 1050N -1.68 2.91 0.24 0.53 1.01 -1.26 -4.98 121.20 117.97 1i50 s ILE 1050Ca 0.50 0.91 0.05 0.00 0.00 0.00 0.00 60.65 62.10 1i50 s ILE 1050Cb 0.31 -3.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.15 1i50 s ILE 1050CO 0.26 0.21 -0.03 -0.89 0.00 0.00 0.00 174.94 174.49 1i50 s THR 1051N -1.07 1.25 0.14 2.92 2.01 -1.26 -5.01 115.64 114.62 1i50 s THR 1051Ca 0.48 -2.07 -0.11 0.00 0.31 0.00 0.00 61.69 60.31 1i50 s THR 1051Cb -0.38 -2.36 -0.07 0.00 0.01 0.00 0.00 72.50 69.71 1i50 s THR 1051CO 0.49 -0.33 1.45 0.58 -0.69 0.00 0.00 174.62 176.12 1i50 h VAL 1052N 2.42 1.27 -0.66 3.82 2.07 -1.96 -0.19 116.25 123.02 1i50 h VAL 1052Ca -0.39 -1.66 -0.01 0.00 0.82 0.00 0.00 66.70 65.47 1i50 h VAL 1052Cb 1.22 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 32.49 1i50 h VAL 1052CO 0.65 0.55 0.39 -0.33 0.02 0.00 0.00 177.57 178.85 1i50 h GLU 1053N 0.70 0.90 0.25 1.57 4.39 -1.95 0.78 114.58 121.22 1i50 h GLU 1053Ca 0.03 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1i50 h GLU 1053Cb 1.07 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 1i50 h GLU 1053CO 0.11 0.66 -0.12 0.78 -1.16 0.00 0.00 179.01 179.28 1i50 h GLY 1054N 0.90 -0.35 1.13 -3.84 0.00 -1.90 -1.09 103.07 97.91 1i50 h GLY 1054Ca 0.23 0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.66 1i50 h GLY 1054CO -0.04 -0.13 0.33 -2.22 0.00 0.00 0.00 176.54 174.48 1i50 h ILE 1055N -0.37 1.25 -0.65 2.60 2.04 -0.61 -2.07 117.51 119.69 1i50 h ILE 1055Ca -0.03 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 1i50 h ILE 1055Cb 0.28 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1i50 h ILE 1055CO 0.06 0.31 0.33 0.28 0.00 0.00 0.00 178.15 179.13 1i50 h SER 1056N 1.10 0.82 -0.09 1.72 0.02 0.79 -1.44 113.55 116.47 1i50 h SER 1056Ca 0.26 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1i50 h SER 1056Cb 0.17 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 1i50 h SER 1056CO -0.03 0.69 0.04 0.11 -1.14 0.00 0.00 176.83 176.50 1i50 h LYS 1057N 0.92 0.13 -0.62 3.45 1.57 -0.52 -1.45 116.57 120.06 1i50 h LYS 1057Ca 0.23 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.00 1i50 h LYS 1057Cb 0.07 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 1i50 h LYS 1057CO -0.03 0.24 0.40 -0.07 -0.57 0.00 0.00 179.45 179.41 1i50 h LEU 1058N -0.00 0.67 -0.98 2.94 3.38 -1.08 -1.95 115.31 118.28 1i50 h LEU 1058Ca 0.03 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1i50 h LEU 1058Cb 0.15 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1i50 h LEU 1058CO -0.00 0.47 0.26 0.25 0.09 0.00 0.00 178.44 179.51 1i50 h LEU 1059N 0.79 0.92 -0.38 1.67 5.85 -1.18 -2.72 115.31 120.27 1i50 h LEU 1059Ca 0.24 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1i50 h LEU 1059Cb -0.04 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 1i50 h LEU 1059CO -0.08 0.82 0.23 -0.09 -0.34 0.00 0.00 178.44 178.99 1i50 h ARG 1060N 0.98 0.51 -0.42 1.25 9.65 -0.76 -1.04 114.38 124.55 1i50 h ARG 1060Ca 0.23 -0.04 0.12 0.00 -1.10 0.00 0.00 59.98 59.19 1i50 h ARG 1060Cb 0.20 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.66 1i50 h ARG 1060CO -0.02 0.37 0.41 0.93 2.80 0.00 0.00 179.97 184.46 1i50 h GLU 1061N 0.49 0.00 -0.14 0.20 5.08 -1.05 0.56 114.58 119.72 1i50 h GLU 1061Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1i50 h GLU 1061Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1i50 h GLU 1061CO -0.03 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.70 1i50 n HIS 1062N -3.87 0.18 -0.71 4.33 8.25 -0.40 -4.90 115.22 118.11 1i50 n HIS 1062Ca 0.07 -0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1i50 n HIS 1062Cb 0.59 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.70 1i50 n HIS 1062CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i50 n GLY 1063N 0.91 0.70 3.87 -1.41 0.00 0.20 -5.06 105.19 104.40 1i50 n GLY 1063Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 1i50 n GLY 1063CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i50 s TYR 1064N -2.35 3.23 -0.20 1.61 1.51 -1.20 -5.04 117.35 114.92 1i50 s TYR 1064Ca 0.00 -0.07 -0.29 0.00 -1.01 0.00 0.00 57.07 55.70 1i50 s TYR 1064Cb 0.00 -1.47 -0.03 0.00 -0.11 0.00 0.00 41.96 40.35 1i50 s TYR 1064CO 0.00 0.50 1.64 1.14 -1.11 0.00 0.00 175.55 177.71 1i50 s GLN 1065N -3.83 3.83 0.58 -0.62 1.03 -1.26 -4.04 119.66 115.36 1i50 s GLN 1065Ca 0.33 1.75 0.04 0.00 0.04 0.00 0.00 55.36 57.52 1i50 s GLN 1065Cb -0.08 -4.04 0.24 0.00 0.03 0.00 0.00 33.01 29.16 1i50 s GLN 1065CO 0.26 -1.25 1.08 0.66 -2.54 0.00 0.00 175.29 173.50 1i50 h SER 1066N 10.68 0.00 -0.50 12.60 4.64 -1.88 -2.28 113.55 136.80 1i50 h SER 1066Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1i50 h SER 1066Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1i50 h SER 1066CO 0.99 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.49 1i50 n ARG 1067N -2.38 4.40 0.00 4.77 5.12 -1.26 -4.38 116.66 122.93 1i50 n ARG 1067Ca -0.00 -3.09 0.00 0.00 -1.93 0.00 0.00 57.85 52.83 1i50 n ARG 1067Cb 0.84 -2.16 0.00 0.00 -1.16 0.00 0.00 32.46 29.98 1i50 n ARG 1067CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1i50 n GLY 1068N 0.34 2.11 3.80 -0.13 0.00 -0.86 -4.99 105.19 105.47 1i50 n GLY 1068Ca 0.26 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 1i50 n GLY 1068CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i50 s PHE 1069N -2.49 3.04 -0.06 1.61 0.40 -1.26 -1.91 117.98 117.31 1i50 s PHE 1069Ca 0.00 1.53 -0.10 0.00 -0.60 0.00 0.00 56.93 57.76 1i50 s PHE 1069Cb 0.00 -3.01 0.02 0.00 0.51 0.00 0.00 43.02 40.54 1i50 s PHE 1069CO 0.00 -0.94 0.25 -1.21 0.70 0.00 0.00 175.22 174.02 1i50 s GLU 1070N -3.77 0.45 0.19 0.44 2.02 -0.62 -4.33 118.70 113.07 1i50 s GLU 1070Ca 0.64 0.06 -0.30 0.00 0.02 0.00 0.00 54.97 55.40 1i50 s GLU 1070Cb -0.16 0.20 -0.08 0.00 0.10 0.00 0.00 34.13 34.20 1i50 s GLU 1070CO 0.30 -0.09 1.18 0.08 0.02 0.00 0.00 175.26 176.75 1i50 s VAL 1071N -0.57 3.61 0.13 2.63 1.01 -1.26 -1.76 120.40 124.19 1i50 s VAL 1071Ca -0.07 1.36 0.05 0.00 0.00 0.00 0.00 61.98 63.32 1i50 s VAL 1071Cb -0.04 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1i50 s VAL 1071CO 0.02 0.22 -0.11 -0.04 0.00 0.00 0.00 175.10 175.19 1i50 s MET 1072N -0.29 1.03 0.05 2.72 -1.94 -1.26 -4.15 119.30 115.46 1i50 s MET 1072Ca 0.52 -1.35 0.09 0.00 -1.71 0.00 0.00 55.69 53.24 1i50 s MET 1072Cb -0.32 -0.70 -0.03 0.00 2.01 0.00 0.00 34.83 35.78 1i50 s MET 1072CO 0.37 0.11 -0.24 0.71 -0.01 0.00 0.00 175.02 175.95 1i50 s TYR 1073N -2.85 2.39 0.19 -0.03 1.51 0.18 -1.03 117.35 117.72 1i50 s TYR 1073Ca 0.13 -0.36 -0.30 0.00 -1.01 0.00 0.00 57.07 55.53 1i50 s TYR 1073Cb -0.00 -1.41 -0.08 0.00 -0.11 0.00 0.00 41.96 40.35 1i50 s TYR 1073CO 0.01 0.17 1.23 1.21 -1.11 0.00 0.00 175.55 177.07 1i50 s ASN 1074N -1.33 7.03 0.50 2.29 3.84 -0.03 -0.71 114.94 126.53 1i50 s ASN 1074Ca 0.13 2.29 0.29 0.00 0.21 0.00 0.00 52.86 55.78 1i50 s ASN 1074Cb -0.10 -2.61 1.14 0.00 -0.55 0.00 0.00 41.25 39.13 1i50 s ASN 1074CO 0.03 -0.42 1.90 1.23 -2.79 0.00 0.00 177.10 177.06 1i50 h GLY 1075N 5.21 0.00 1.60 1.21 0.00 -1.67 0.16 103.07 109.58 1i50 h GLY 1075Ca -0.45 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.84 1i50 h GLY 1075CO 0.75 0.00 -0.57 0.45 0.00 0.00 0.00 176.54 177.17 1i50 h HIS 1076N 0.00 0.00 0.00 5.60 3.86 -1.81 -3.42 115.15 119.38 1i50 h HIS 1076Ca -0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 1i50 h HIS 1076Cb 0.63 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.09 1i50 h HIS 1076CO 0.00 0.19 -1.14 2.41 0.86 0.00 0.00 177.93 180.26 1i50 n THR 1077N -2.99 0.14 0.00 2.45 -1.04 -1.17 -5.01 114.28 106.66 1i50 n THR 1077Ca 0.01 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1i50 n THR 1077Cb 0.62 -0.73 0.00 0.00 -1.82 0.00 0.00 70.33 68.40 1i50 n THR 1077CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1i50 n GLY 1078N 3.30 3.42 3.77 3.41 0.00 0.53 -5.02 105.19 114.60 1i50 n GLY 1078Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 1i50 n GLY 1078CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1i50 s LYS 1079N -0.92 4.11 1.14 1.61 2.20 -1.26 -4.56 119.74 122.07 1i50 s LYS 1079Ca 0.00 1.97 -0.12 0.00 -0.36 0.00 0.00 55.97 57.45 1i50 s LYS 1079Cb 0.00 -2.79 0.27 0.00 -1.51 0.00 0.00 37.83 33.81 1i50 s LYS 1079CO 0.00 -0.31 1.03 1.63 -0.36 0.00 0.00 175.35 177.34 1i50 n LYS 1080N 0.26 -2.21 -3.90 4.03 5.02 -1.26 -0.85 118.16 119.25 1i50 n LYS 1080Ca 0.03 -0.61 -0.32 0.00 -2.02 0.00 0.00 58.31 55.39 1i50 n LYS 1080Cb 0.45 -2.20 -0.04 0.00 -0.02 0.00 0.00 35.03 33.22 1i50 n LYS 1080CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1i50 s LEU 1081N -7.14 4.36 0.38 -0.35 1.43 -0.19 -4.62 118.68 112.55 1i50 s LEU 1081Ca 0.68 0.33 0.18 0.00 -1.03 0.00 0.00 54.13 54.29 1i50 s LEU 1081Cb -0.25 -2.79 0.75 0.00 0.03 0.00 0.00 46.19 43.93 1i50 s LEU 1081CO 0.64 0.21 1.78 -0.03 0.23 0.00 0.00 176.35 179.19 1i50 h MET 1082N 3.46 0.00 -6.21 1.70 1.85 -1.95 -3.44 114.93 110.34 1i50 h MET 1082Ca -0.47 0.00 -0.60 0.00 -0.61 0.00 0.00 59.70 58.02 1i50 h MET 1082Cb 1.17 0.00 -0.08 0.00 0.43 0.00 0.00 31.60 33.12 1i50 h MET 1082CO 0.72 0.37 -0.59 0.00 -0.40 0.00 0.00 176.91 177.01 1i50 s ALA 1083N -3.80 3.53 0.22 0.39 0.00 -1.26 -5.12 121.76 115.72 1i50 s ALA 1083Ca -0.01 -1.16 -0.02 0.00 0.00 0.00 0.00 51.96 50.77 1i50 s ALA 1083Cb 0.12 -1.35 -0.05 0.00 0.00 0.00 0.00 23.12 21.84 1i50 s ALA 1083CO 0.69 0.59 0.43 -0.65 0.00 0.00 0.00 175.76 176.82 1i50 s GLN 1084N -2.83 3.56 -0.11 0.00 1.11 -1.26 -4.62 119.66 115.52 1i50 s GLN 1084Ca 0.30 -0.21 0.00 0.00 0.01 0.00 0.00 55.36 55.46 1i50 s GLN 1084Cb -0.11 -2.79 -0.02 0.00 -1.01 0.00 0.00 33.01 29.09 1i50 s GLN 1084CO 0.22 0.36 -0.12 0.42 0.01 0.00 0.00 175.29 176.18 1i50 s ILE 1085N -1.90 3.20 -0.23 1.08 1.01 -0.72 -4.84 121.20 118.80 1i50 s ILE 1085Ca 0.40 -0.62 -0.29 0.00 0.00 0.00 0.00 60.65 60.14 1i50 s ILE 1085Cb -0.11 -2.33 -0.03 0.00 0.01 0.00 0.00 42.46 40.00 1i50 s ILE 1085CO 0.29 0.54 1.72 0.12 0.00 0.00 0.00 174.94 177.61 1i50 s PHE 1086N 0.07 1.91 -0.03 3.97 5.36 -1.26 -1.59 117.98 126.41 1i50 s PHE 1086Ca -0.04 0.49 0.03 0.00 -0.96 0.00 0.00 56.93 56.45 1i50 s PHE 1086Cb -0.14 -4.03 -0.00 0.00 -0.34 0.00 0.00 43.02 38.51 1i50 s PHE 1086CO 0.04 -3.21 -0.13 0.12 -1.46 0.00 0.00 175.22 170.58 1i50 s PHE 1087N 5.75 1.34 0.00 10.12 5.36 -0.80 -2.29 117.98 137.45 1i50 s PHE 1087Ca 0.77 -0.36 0.00 0.00 -0.96 0.00 0.00 56.93 56.38 1i50 s PHE 1087Cb -0.26 -0.92 0.00 0.00 -0.34 0.00 0.00 43.02 41.50 1i50 s PHE 1087CO 0.31 -0.13 0.00 0.41 -1.46 0.00 0.00 175.22 174.36 1i50 n GLY 1088N 3.19 1.02 3.82 13.12 0.00 -0.96 -4.82 105.19 120.56 1i50 n GLY 1088Ca -0.18 -0.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.60 1i50 n GLY 1088CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i50 s PRO 1089N -2.00 4.25 -0.03 1.61 0.04 -1.26 0.16 135.00 137.76 1i50 s PRO 1089Ca 0.00 0.95 -0.10 0.00 0.04 0.00 0.00 61.00 61.89 1i50 s PRO 1089Cb 0.00 -2.62 0.01 0.00 0.04 0.00 0.00 34.50 31.93 1i50 s PRO 1089CO 0.00 0.23 0.22 0.99 0.04 0.00 0.00 177.00 178.48 1i50 s THR 1090N -1.78 0.05 -0.13 1.26 2.01 0.32 -4.41 115.64 112.97 1i50 s THR 1090Ca 0.51 -0.41 -0.29 0.00 0.31 0.00 0.00 61.69 61.81 1i50 s THR 1090Cb -0.14 -0.46 -0.01 0.00 0.01 0.00 0.00 72.50 71.91 1i50 s THR 1090CO 0.19 -0.22 1.03 -0.47 -0.69 0.00 0.00 174.62 174.46 1i50 s TYR 1091N -0.88 3.44 0.05 4.92 5.04 -1.26 -1.42 117.35 127.25 1i50 s TYR 1091Ca -0.10 1.53 0.08 0.00 -2.44 0.00 0.00 57.07 56.14 1i50 s TYR 1091Cb -0.05 -3.23 -0.03 0.00 0.35 0.00 0.00 41.96 39.01 1i50 s TYR 1091CO 0.02 -0.38 -0.22 0.71 -1.34 0.00 0.00 175.55 174.33 1i50 s TYR 1092N 2.27 1.96 -0.11 4.97 1.51 -0.65 -4.16 117.35 123.14 1i50 s TYR 1092Ca 0.48 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 56.16 1i50 s TYR 1092Cb -0.18 -1.16 -0.02 0.00 -0.11 0.00 0.00 41.96 40.49 1i50 s TYR 1092CO 0.16 0.11 -0.13 -0.65 -1.11 0.00 0.00 175.55 173.93 1i50 s GLN 1093N -1.24 3.18 -0.24 -0.62 -0.21 0.88 -1.94 119.66 119.47 1i50 s GLN 1093Ca 0.09 -0.68 -0.24 0.00 0.02 0.00 0.00 55.36 54.55 1i50 s GLN 1093Cb -0.09 -2.58 -0.01 0.00 1.00 0.00 0.00 33.01 31.34 1i50 s GLN 1093CO 0.02 0.32 0.79 0.50 -2.12 0.00 0.00 175.29 174.80 1i50 s ARG 1094N 0.08 4.17 0.52 2.91 3.52 -1.26 -1.39 118.95 127.50 1i50 s ARG 1094Ca -0.05 0.87 -0.03 0.00 -0.13 0.00 0.00 55.73 56.38 1i50 s ARG 1094Cb -0.15 -3.64 -0.00 0.00 -1.56 0.00 0.00 34.95 29.60 1i50 s ARG 1094CO 0.04 -0.49 0.79 -0.51 -0.81 0.00 0.00 175.30 174.32 1i50 s LEU 1095N 2.77 3.46 0.00 -0.88 1.43 -0.60 -2.17 118.68 122.68 1i50 s LEU 1095Ca 0.33 0.55 -0.00 0.00 -1.03 0.00 0.00 54.13 53.97 1i50 s LEU 1095Cb -0.15 -3.41 0.01 0.00 0.03 0.00 0.00 46.19 42.67 1i50 s LEU 1095CO 0.08 -0.85 0.05 -2.11 0.23 0.00 0.00 176.35 173.74 1i50 n ARG 1096N -2.33 0.21 -2.43 1.70 1.85 -0.74 -4.64 116.66 110.29 1i50 n ARG 1096Ca 0.03 -0.10 -0.01 0.00 -1.00 0.00 0.00 57.85 56.76 1i50 n ARG 1096Cb 0.57 -0.05 0.00 0.00 -1.05 0.00 0.00 32.46 31.94 1i50 n ARG 1096CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1i50 n HIS 1097N -1.82 -2.92 -4.21 2.89 8.25 -1.26 -4.79 115.22 111.36 1i50 n HIS 1097Ca 0.01 1.27 -0.30 0.00 -0.26 0.00 0.00 57.72 58.44 1i50 n HIS 1097Cb 0.03 -3.40 -0.09 0.00 1.12 0.00 0.00 29.99 27.64 1i50 n HIS 1097CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1i50 s MET 1098N -1.44 2.37 0.00 -0.41 -1.94 -1.26 -4.58 119.30 112.04 1i50 s MET 1098Ca 0.04 -0.90 0.00 0.00 -1.71 0.00 0.00 55.69 53.12 1i50 s MET 1098Cb -0.01 -2.44 0.00 0.00 2.01 0.00 0.00 34.83 34.39 1i50 s MET 1098CO 0.59 0.53 0.08 0.28 -0.01 0.00 0.00 175.02 176.49 1i50 n VAL 1099N 0.74 0.00 0.00 -6.03 0.31 -1.26 0.46 118.33 112.55 1i50 n VAL 1099Ca -0.12 0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1i50 n VAL 1099Cb 0.52 -0.21 0.00 0.00 -0.91 0.00 0.00 33.84 33.24 1i50 n VAL 1099CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1i50 n ASP 1100N -0.95 0.00 0.00 4.52 8.00 -1.26 0.28 116.55 127.14 1i50 n ASP 1100Ca 0.00 0.05 0.09 0.00 0.71 0.00 0.00 54.79 55.64 1i50 n ASP 1100Cb 0.00 -0.05 -0.14 0.00 -0.02 0.00 0.00 41.12 40.91 1i50 n ASP 1100CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1i50 n ASP 1101N -0.85 0.19 -0.21 -2.24 8.00 0.17 -4.47 116.55 117.14 1i50 n ASP 1101Ca 0.00 0.07 0.02 0.00 0.71 0.00 0.00 54.79 55.60 1i50 n ASP 1101Cb 0.19 1.55 0.03 0.00 -0.02 0.00 0.00 41.12 42.87 1i50 n ASP 1101CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1i50 n LYS 1102N -2.41 0.45 0.00 -1.24 5.02 0.14 -4.72 118.16 115.40 1i50 n LYS 1102Ca -0.06 -1.02 0.02 0.00 -2.02 0.00 0.00 58.31 55.23 1i50 n LYS 1102Cb 0.63 -1.10 0.09 0.00 -0.02 0.00 0.00 35.03 34.64 1i50 n LYS 1102CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1i50 n ILE 1103N 0.19 0.90 -0.51 -0.18 5.41 -1.13 -4.90 119.36 119.16 1i50 n ILE 1103Ca 0.03 0.23 -0.20 0.00 1.00 0.00 0.00 62.75 63.81 1i50 n ILE 1103Cb 0.17 -1.17 -0.03 0.00 -0.71 0.00 0.00 39.64 37.90 1i50 n ILE 1103CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1i50 n HIS 1104N -1.26 0.42 -3.76 1.39 8.25 -1.26 -4.94 115.22 114.06 1i50 n HIS 1104Ca 0.02 0.34 -0.29 0.00 -0.26 0.00 0.00 57.72 57.53 1i50 n HIS 1104Cb 0.03 -0.66 -0.16 0.00 1.12 0.00 0.00 29.99 30.32 1i50 n HIS 1104CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i50 s ALA 1105N 0.60 1.40 -0.58 -1.41 0.00 -1.26 -5.11 121.76 115.41 1i50 s ALA 1105Ca 0.30 -1.28 -0.13 0.00 0.00 0.00 0.00 51.96 50.85 1i50 s ALA 1105Cb -0.43 -1.44 0.14 0.00 0.00 0.00 0.00 23.12 21.39 1i50 s ALA 1105CO 0.22 -1.43 0.50 1.03 0.00 0.00 0.00 175.76 176.09 1i50 s ARG 1106N 1.68 2.95 -0.32 0.00 0.52 -1.26 -5.01 118.95 117.50 1i50 s ARG 1106Ca 0.04 -1.89 0.03 0.00 -0.52 0.00 0.00 55.73 53.38 1i50 s ARG 1106Cb -0.17 -4.20 0.09 0.00 0.52 0.00 0.00 34.95 31.19 1i50 s ARG 1106CO -0.17 -1.28 0.04 0.00 0.02 0.00 0.00 175.30 173.91 1i50 s ALA 1107N 1.21 2.49 -0.24 2.13 0.00 -1.26 -5.08 121.76 121.01 1i50 s ALA 1107Ca 0.07 -2.18 -0.05 0.00 0.00 0.00 0.00 51.96 49.79 1i50 s ALA 1107Cb -0.25 -1.82 -0.01 0.00 0.00 0.00 0.00 23.12 21.04 1i50 s ALA 1107CO -0.00 -1.60 0.01 1.03 0.00 0.00 0.00 175.76 175.19 1i50 s ARG 1108N 1.12 3.40 -0.18 0.00 0.52 -1.26 -5.02 118.95 117.53 1i50 s ARG 1108Ca 0.08 -0.63 -0.14 0.00 -0.52 0.00 0.00 55.73 54.52 1i50 s ARG 1108Cb -0.19 -3.15 -0.08 0.00 0.52 0.00 0.00 34.95 32.05 1i50 s ARG 1108CO -0.11 -0.24 -0.16 0.41 0.02 0.00 0.00 175.30 175.22 1i50 n GLY 1109N 4.84 -0.79 0.00 -3.53 0.00 -1.26 -5.29 105.19 99.16 1i50 n GLY 1109Ca -0.17 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 45.76 1i50 n GLY 1109CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1i50 n PRO 1110N -4.51 0.08 0.00 1.61 -0.04 -1.26 -5.26 135.00 125.63 1i50 n PRO 1110Ca -0.18 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1i50 n PRO 1110Cb 0.47 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1i50 n PRO 1110CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1i50 n GLY 1127N -0.33 0.00 1.10 0.55 0.00 -1.26 -5.25 105.19 100.01 1i50 n GLY 1127Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1i50 n GLY 1127CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1i50 n LEU 1128N 0.00 0.00 -4.91 0.99 7.94 -1.26 -5.06 117.00 114.70 1i50 n LEU 1128Ca 0.00 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.62 1i50 n LEU 1128Cb 0.00 0.00 0.08 0.00 0.53 0.00 0.00 43.42 44.03 1i50 n LEU 1128CO 0.00 0.00 0.73 0.00 -1.11 0.00 0.00 177.39 177.01 1i50 s ARG 1129N -0.63 2.06 -0.59 1.96 1.70 -1.26 -5.05 118.95 117.14 1i50 s ARG 1129Ca 0.00 -0.02 0.04 0.00 -0.47 0.00 0.00 55.73 55.29 1i50 s ARG 1129Cb 0.00 -2.03 0.16 0.00 -0.57 0.00 0.00 34.95 32.51 1i50 s ARG 1129CO 0.00 -1.46 0.41 0.12 -1.08 0.00 0.00 175.30 173.28 1i50 s PHE 1130N -3.46 2.75 0.00 5.89 5.36 -1.26 -5.02 117.98 122.24 1i50 s PHE 1130Ca 0.61 -2.97 0.00 0.00 -0.96 0.00 0.00 56.93 53.61 1i50 s PHE 1130Cb -0.11 -2.19 0.00 0.00 -0.34 0.00 0.00 43.02 40.38 1i50 s PHE 1130CO 0.47 -0.66 0.00 0.41 -1.46 0.00 0.00 175.22 173.99 1i50 n GLY 1131N 2.47 1.41 0.29 13.12 0.00 -1.26 -4.84 105.19 116.38 1i50 n GLY 1131Ca 0.19 -2.03 0.09 0.00 0.00 0.00 0.00 46.02 44.27 1i50 n GLY 1131CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1i50 h GLU 1132N 0.00 0.30 -0.47 1.61 5.08 -1.99 -0.21 114.58 118.91 1i50 h GLU 1132Ca 0.00 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1i50 h GLU 1132Cb 0.00 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1i50 h GLU 1132CO 0.00 0.20 0.03 0.52 -1.00 0.00 0.00 179.01 178.76 1i50 h MET 1133N 0.31 0.80 -0.71 2.33 2.86 -1.99 -0.54 114.93 117.99 1i50 h MET 1133Ca 0.48 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1i50 h MET 1133Cb 0.86 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.40 1i50 h MET 1133CO -0.53 0.84 0.45 0.93 1.06 0.00 0.00 176.91 179.65 1i50 h GLU 1134N 0.66 0.95 -0.50 1.72 3.07 -1.56 -2.33 114.58 116.59 1i50 h GLU 1134Ca 0.14 -0.08 -0.02 0.00 -0.50 0.00 0.00 59.36 58.90 1i50 h GLU 1134Cb 0.46 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 1i50 h GLU 1134CO 0.02 0.66 0.23 -0.09 -1.40 0.00 0.00 179.01 178.43 1i50 h ARG 1135N 0.97 0.73 -0.82 2.33 2.43 -0.75 -2.21 114.38 117.06 1i50 h ARG 1135Ca 0.26 -0.12 0.08 0.00 -0.81 0.00 0.00 59.98 59.39 1i50 h ARG 1135Cb -0.06 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.31 1i50 h ARG 1135CO -0.05 0.62 0.53 -0.44 -1.51 0.00 0.00 179.97 179.13 1i50 h ASP 1136N 0.66 0.73 -0.35 -3.80 3.32 -0.77 0.52 116.42 116.74 1i50 h ASP 1136Ca 0.17 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 1i50 h ASP 1136Cb 0.14 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1i50 h ASP 1136CO -0.02 0.45 0.10 0.00 -1.72 0.00 0.00 179.24 178.05 1i50 h MET 1138N 0.41 0.04 -0.04 0.00 2.86 -0.76 -1.74 114.93 115.69 1i50 h MET 1138Ca 0.11 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 1i50 h MET 1138Cb 0.26 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 1i50 h MET 1138CO -0.00 0.32 -0.01 0.82 1.06 0.00 0.00 176.91 179.10 1i50 h ILE 1139N 0.03 1.29 -0.89 -1.22 2.04 -0.55 -1.65 117.51 116.56 1i50 h ILE 1139Ca 0.00 -0.89 0.13 0.00 1.00 0.00 0.00 64.86 65.11 1i50 h ILE 1139Cb 0.52 1.80 -0.09 0.00 -0.74 0.00 0.00 36.82 38.31 1i50 h ILE 1139CO 0.04 0.24 0.50 0.00 0.00 0.00 0.00 178.15 178.93 1i50 h ALA 1140N 0.66 1.35 0.00 1.87 0.00 -0.64 0.72 119.26 123.22 1i50 h ALA 1140Ca 0.01 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1i50 h ALA 1140Cb 0.39 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1i50 h ALA 1140CO 0.00 0.02 0.00 0.45 0.00 0.00 0.00 179.25 179.73 1i50 h HIS 1141N 0.75 0.00 -0.14 0.00 3.86 -1.15 -3.46 115.15 115.01 1i50 h HIS 1141Ca 0.47 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.62 1i50 h HIS 1141Cb 0.58 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.03 1i50 h HIS 1141CO -0.06 0.00 -0.06 0.41 0.86 0.00 0.00 177.93 179.09 1i50 n GLY 1142N -0.24 0.61 3.42 2.45 0.00 0.25 -4.93 105.19 106.75 1i50 n GLY 1142Ca 0.01 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 1i50 n GLY 1142CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i50 n ALA 1143N 1.06 3.93 -0.03 4.61 0.00 -0.69 -4.82 120.51 124.56 1i50 n ALA 1143Ca -0.03 -3.89 -0.12 0.00 0.00 0.00 0.00 53.44 49.40 1i50 n ALA 1143Cb 0.15 -3.55 -0.07 0.00 0.00 0.00 0.00 19.45 15.97 1i50 n ALA 1143CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i50 h ALA 1144N 7.26 0.13 -0.25 0.00 0.00 -1.92 -2.82 119.26 121.65 1i50 h ALA 1144Ca 0.46 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1i50 h ALA 1144Cb 0.83 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1i50 h ALA 1144CO 1.52 -0.17 -0.11 0.66 0.00 0.00 0.00 179.25 181.15 1i50 h SER 1145N -0.13 0.40 -0.49 0.00 4.64 -1.99 -0.63 113.55 115.35 1i50 h SER 1145Ca 0.03 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1i50 h SER 1145Cb 0.38 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 1i50 h SER 1145CO 0.01 0.55 0.31 0.15 -0.87 0.00 0.00 176.83 176.97 1i50 h PHE 1146N 0.39 0.63 -0.52 4.77 3.57 -1.96 0.50 116.94 124.31 1i50 h PHE 1146Ca 0.08 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1i50 h PHE 1146Cb 0.44 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 1i50 h PHE 1146CO 0.01 0.42 0.28 -0.07 -2.23 0.00 0.00 178.31 176.72 1i50 h LEU 1147N 0.65 0.63 -0.15 0.59 3.38 -1.05 -0.43 115.31 118.94 1i50 h LEU 1147Ca 0.18 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1i50 h LEU 1147Cb -0.04 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1i50 h LEU 1147CO -0.04 0.52 -0.17 0.50 0.09 0.00 0.00 178.44 179.35 1i50 h LYS 1148N 0.72 0.38 -0.37 1.13 3.64 -0.01 -1.73 116.57 120.33 1i50 h LYS 1148Ca 0.19 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1i50 h LYS 1148Cb 0.03 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1i50 h LYS 1148CO -0.03 0.77 0.23 1.49 -2.27 0.00 0.00 179.45 179.63 1i50 h GLU 1149N 0.01 0.51 0.00 1.90 4.81 0.37 -2.28 114.58 119.89 1i50 h GLU 1149Ca 0.02 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.08 1i50 h GLU 1149Cb 0.71 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 1i50 h GLU 1149CO 0.04 0.38 -0.61 0.00 -0.73 0.00 0.00 179.01 178.09 1i50 h ARG 1150N 0.49 0.00 0.00 1.92 2.47 -1.14 -3.32 114.38 114.80 1i50 h ARG 1150Ca 0.13 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 1i50 h ARG 1150Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1i50 h ARG 1150CO -0.03 0.61 -1.01 1.28 0.56 0.00 0.00 179.97 181.38 1i50 n LEU 1151N -3.43 0.73 -4.74 3.04 4.77 -0.65 -4.94 117.00 111.79 1i50 n LEU 1151Ca 0.00 -0.25 -0.41 0.00 -0.03 0.00 0.00 56.01 55.32 1i50 n LEU 1151Cb 0.71 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.69 1i50 n LEU 1151CO 0.41 0.16 0.73 -0.32 -1.33 0.00 0.00 177.39 177.04 1i50 s MET 1152N -3.10 4.66 0.85 3.23 1.75 -0.86 -5.05 119.30 120.78 1i50 s MET 1152Ca 0.06 1.60 -0.09 0.00 -1.25 0.00 0.00 55.69 56.01 1i50 s MET 1152Cb 0.16 -3.31 0.17 0.00 2.84 0.00 0.00 34.83 34.68 1i50 s MET 1152CO 0.83 0.17 1.17 -2.00 -0.65 0.00 0.00 175.02 174.53 1i50 s GLU 1153N -0.32 1.12 0.16 4.11 2.12 -1.26 -5.02 118.70 119.62 1i50 s GLU 1153Ca 0.48 -0.77 -0.15 0.00 0.36 0.00 0.00 54.97 54.88 1i50 s GLU 1153Cb -0.27 -2.08 0.04 0.00 0.26 0.00 0.00 34.13 32.08 1i50 s GLU 1153CO 0.33 -1.96 1.81 0.00 -0.54 0.00 0.00 175.26 174.89 1i50 h ALA 1154N -1.11 0.60 -0.12 6.30 0.00 -2.02 -3.46 119.26 119.45 1i50 h ALA 1154Ca -0.40 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 1i50 h ALA 1154Cb 1.25 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1i50 h ALA 1154CO 0.38 0.07 -0.02 -1.13 0.00 0.00 0.00 179.25 178.56 1i50 n SER 1155N -4.73 -0.06 -4.77 0.00 3.41 -1.26 -4.81 113.62 101.40 1i50 n SER 1155Ca 0.02 0.13 -0.40 0.00 -0.26 0.00 0.00 58.87 58.36 1i50 n SER 1155Cb 0.04 -0.11 -0.00 0.00 -0.26 0.00 0.00 64.21 63.88 1i50 n SER 1155CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1i50 s ASP 1156N -0.04 6.36 -0.77 4.04 1.01 -1.26 -4.67 116.67 121.33 1i50 s ASP 1156Ca 0.09 2.81 -0.26 0.00 0.71 0.00 0.00 52.55 55.91 1i50 s ASP 1156Cb -0.13 -2.65 0.01 0.00 1.01 0.00 0.00 42.92 41.16 1i50 s ASP 1156CO 0.07 -0.83 1.54 0.00 0.21 0.00 0.00 175.17 176.16 1i50 s ALA 1157N -1.19 2.46 0.19 5.23 0.00 -1.26 -1.33 121.76 125.87 1i50 s ALA 1157Ca 0.54 -1.35 -0.21 0.00 0.00 0.00 0.00 51.96 50.95 1i50 s ALA 1157Cb -0.42 -4.35 -0.08 0.00 0.00 0.00 0.00 23.12 18.27 1i50 s ALA 1157CO 0.55 -3.68 0.72 0.12 0.00 0.00 0.00 175.76 173.46 1i50 s PHE 1158N 7.00 3.72 -0.25 0.00 5.36 -0.84 -4.82 117.98 128.15 1i50 s PHE 1158Ca 0.50 1.43 -0.09 0.00 -0.96 0.00 0.00 56.93 57.80 1i50 s PHE 1158Cb -0.08 -2.64 -0.04 0.00 -0.34 0.00 0.00 43.02 39.93 1i50 s PHE 1158CO 0.10 0.40 0.11 0.50 -1.46 0.00 0.00 175.22 174.88 1i50 s ARG 1159N -1.72 3.81 0.24 10.12 3.00 -1.26 -1.56 118.95 131.57 1i50 s ARG 1159Ca 0.40 -0.40 0.07 0.00 -1.00 0.00 0.00 55.73 54.80 1i50 s ARG 1159Cb -0.18 -3.44 -0.05 0.00 0.00 0.00 0.00 34.95 31.28 1i50 s ARG 1159CO 0.22 -0.12 -0.11 0.08 0.00 0.00 0.00 175.30 175.37 1i50 s VAL 1160N 1.50 1.70 0.07 7.11 1.01 -0.84 -4.99 120.40 125.95 1i50 s VAL 1160Ca 0.06 -2.18 0.06 0.00 0.00 0.00 0.00 61.98 59.92 1i50 s VAL 1160Cb -0.15 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1i50 s VAL 1160CO 0.06 -0.47 -0.10 -1.00 0.00 0.00 0.00 175.10 173.59 1i50 s HIS 1161N -2.99 2.76 0.00 5.22 3.76 -1.26 -1.74 115.29 121.04 1i50 s HIS 1161Ca 0.26 -0.13 0.00 0.00 -0.15 0.00 0.00 55.06 55.03 1i50 s HIS 1161Cb 0.01 -1.48 -0.00 0.00 1.11 0.00 0.00 32.58 32.21 1i50 s HIS 1161CO 0.09 0.39 -0.01 0.42 -0.85 0.00 0.00 174.74 174.78 1i50 s ILE 1162N -1.13 0.10 0.46 0.60 1.01 -0.42 -4.38 121.20 117.44 1i50 s ILE 1162Ca 0.20 -0.11 -0.23 0.00 0.00 0.00 0.00 60.65 60.51 1i50 s ILE 1162Cb -0.11 -0.10 -0.07 0.00 0.01 0.00 0.00 42.46 42.18 1i50 s ILE 1162CO 0.11 -0.01 1.15 0.00 0.00 0.00 0.00 174.94 176.20 1i50 n GLY 1164N 0.41 -1.32 0.09 0.00 0.00 -0.77 -4.19 105.19 99.41 1i50 n GLY 1164Ca 0.07 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 1i50 n GLY 1164CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1i50 n ILE 1165N -1.67 1.48 -4.04 -0.61 5.41 -1.26 -4.84 119.36 113.82 1i50 n ILE 1165Ca 0.05 0.08 -0.35 0.00 1.00 0.00 0.00 62.75 63.52 1i50 n ILE 1165Cb 0.37 -2.22 -0.09 0.00 -0.71 0.00 0.00 39.64 36.99 1i50 n ILE 1165CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1i50 n GLY 1167N 2.79 2.32 3.93 0.00 0.00 -1.26 -3.70 105.19 109.27 1i50 n GLY 1167Ca -0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 1i50 n GLY 1167CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i50 s LEU 1168N 0.00 4.21 -0.36 0.99 1.43 -1.26 0.73 118.68 124.41 1i50 s LEU 1168Ca 0.00 0.02 -0.04 0.00 -1.03 0.00 0.00 54.13 53.07 1i50 s LEU 1168Cb 0.00 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 43.47 1i50 s LEU 1168CO 0.00 -0.04 2.92 0.23 0.23 0.00 0.00 176.35 179.69 1i50 n MET 1169N -1.20 2.31 -1.13 1.70 2.81 -1.26 -2.61 117.12 117.74 1i50 n MET 1169Ca -0.08 -2.07 -0.18 0.00 -1.81 0.00 0.00 57.70 53.56 1i50 n MET 1169Cb 0.57 -2.10 0.17 0.00 -0.71 0.00 0.00 33.22 31.14 1i50 n MET 1169CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1i50 n THR 1170N 1.17 2.97 -3.49 2.03 -2.24 -1.26 -4.98 114.28 108.48 1i50 n THR 1170Ca 0.47 -2.53 -0.38 0.00 -2.27 0.00 0.00 64.05 59.35 1i50 n THR 1170Cb 0.62 -0.54 -0.08 0.00 -2.10 0.00 0.00 70.33 68.23 1i50 n THR 1170CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1i50 s VAL 1171N -3.56 5.26 -0.29 2.28 1.01 -1.26 -4.46 120.40 119.38 1i50 s VAL 1171Ca 0.53 0.50 -0.21 0.00 0.00 0.00 0.00 61.98 62.80 1i50 s VAL 1171Cb 0.45 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 1i50 s VAL 1171CO 0.04 0.28 0.67 -0.63 0.00 0.00 0.00 175.10 175.47 1i50 s ILE 1172N 1.28 4.91 -0.27 2.22 1.01 -0.05 -4.86 121.20 125.44 1i50 s ILE 1172Ca 0.14 1.03 -0.06 0.00 0.00 0.00 0.00 60.65 61.77 1i50 s ILE 1172Cb -0.14 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.31 1i50 s ILE 1172CO 0.07 -0.12 0.05 0.00 0.00 0.00 0.00 174.94 174.93 1i50 s ALA 1173N 2.67 3.00 -0.84 9.38 0.00 -1.26 -1.97 121.76 132.75 1i50 s ALA 1173Ca 0.27 -1.38 -0.02 0.00 0.00 0.00 0.00 51.96 50.83 1i50 s ALA 1173Cb -0.15 -2.03 0.21 0.00 0.00 0.00 0.00 23.12 21.15 1i50 s ALA 1173CO 0.11 -0.80 0.71 0.15 0.00 0.00 0.00 175.76 175.93 1i50 s LYS 1174N 1.49 3.14 0.59 0.00 1.02 0.04 -4.94 119.74 121.07 1i50 s LYS 1174Ca 0.03 -3.11 0.29 0.00 0.02 0.00 0.00 55.97 53.21 1i50 s LYS 1174Cb -0.16 -3.92 1.70 0.00 -0.52 0.00 0.00 37.83 34.92 1i50 s LYS 1174CO 0.01 -1.25 2.13 -0.07 -0.92 0.00 0.00 175.35 175.25 1i50 h LEU 1175N 6.26 0.00 0.07 3.17 3.38 -1.95 0.18 115.31 126.42 1i50 h LEU 1175Ca 0.12 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.84 1i50 h LEU 1175Cb 0.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1i50 h LEU 1175CO 0.82 0.00 -1.20 0.78 0.09 0.00 0.00 178.44 178.93 1i50 h ASN 1176N 0.00 0.24 0.11 -0.43 2.35 -1.96 -3.26 115.58 112.63 1i50 h ASN 1176Ca 0.07 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1i50 h ASN 1176Cb 0.40 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1i50 h ASN 1176CO -0.00 1.22 -0.31 1.41 -1.65 0.00 0.00 177.43 178.10 1i50 n HIS 1177N -3.43 0.00 -3.05 1.19 8.25 -0.78 -4.96 115.22 112.45 1i50 n HIS 1177Ca -0.06 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.17 1i50 n HIS 1177Cb 1.00 -0.06 0.03 0.00 1.12 0.00 0.00 29.99 32.08 1i50 n HIS 1177CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1i50 n ASN 1178N -0.25 -5.87 -4.36 0.41 3.02 0.56 -4.97 115.26 103.80 1i50 n ASN 1178Ca 0.12 -0.29 -0.35 0.00 -0.03 0.00 0.00 54.58 54.03 1i50 n ASN 1178Cb 0.41 -4.75 -0.13 0.00 -0.61 0.00 0.00 39.78 34.69 1i50 n ASN 1178CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1i50 s GLN 1179N -5.73 3.47 -0.09 3.52 -0.21 -0.89 -4.99 119.66 114.74 1i50 s GLN 1179Ca 0.31 -0.59 0.03 0.00 0.02 0.00 0.00 55.36 55.13 1i50 s GLN 1179Cb -0.14 -3.03 0.01 0.00 1.00 0.00 0.00 33.01 30.84 1i50 s GLN 1179CO 0.38 -0.11 -0.18 -0.06 -2.12 0.00 0.00 175.29 173.20 1i50 s PHE 1180N 1.29 2.03 -0.01 0.91 0.40 -1.26 -0.78 117.98 120.56 1i50 s PHE 1180Ca 0.04 -0.85 -0.00 0.00 -0.60 0.00 0.00 56.93 55.52 1i50 s PHE 1180Cb -0.14 -1.42 0.02 0.00 0.51 0.00 0.00 43.02 41.99 1i50 s PHE 1180CO -0.01 -0.39 0.02 -1.21 0.70 0.00 0.00 175.22 174.33 1i50 s GLU 1181N 0.63 -0.02 -0.62 0.44 2.02 -0.83 -3.98 118.70 116.33 1i50 s GLU 1181Ca -0.14 0.12 0.05 0.00 0.02 0.00 0.00 54.97 55.01 1i50 s GLU 1181Cb -0.16 -0.15 0.17 0.00 0.10 0.00 0.00 34.13 34.08 1i50 s GLU 1181CO 0.04 -0.10 0.45 0.00 0.02 0.00 0.00 175.26 175.66 1i50 n LYS 1183N 2.24 -1.17 0.00 0.00 4.76 -1.26 -2.11 118.16 120.61 1i50 n LYS 1183Ca 0.22 -0.31 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 1i50 n LYS 1183Cb 0.38 -1.89 0.00 0.00 -1.84 0.00 0.00 35.03 31.68 1i50 n LYS 1183CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1i50 n GLY 1184N 1.53 2.94 0.00 0.72 0.00 -1.26 -4.56 105.19 104.56 1i50 n GLY 1184Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1i50 n GLY 1184CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i50 n ASP 1186N -0.96 -3.92 -4.30 0.00 8.00 -1.08 -5.02 116.55 109.27 1i50 n ASP 1186Ca 0.00 -0.51 -0.32 0.00 0.71 0.00 0.00 54.79 54.68 1i50 n ASP 1186Cb 0.00 -4.05 -0.16 0.00 -0.02 0.00 0.00 41.12 36.89 1i50 n ASP 1186CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1i50 s ASN 1187N -3.64 3.18 0.00 -2.24 0.01 -1.22 -4.93 114.94 106.10 1i50 s ASN 1187Ca 0.19 -0.47 0.00 0.00 -0.71 0.00 0.00 52.86 51.87 1i50 s ASN 1187Cb -0.02 -0.76 0.00 0.00 0.41 0.00 0.00 41.25 40.87 1i50 s ASN 1187CO 0.56 0.27 0.00 0.29 -1.51 0.00 0.00 177.10 176.70 1i50 n LYS 1188N 2.81 2.84 -0.11 -0.60 5.02 -1.26 -1.88 118.16 124.98 1i50 n LYS 1188Ca -0.17 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 55.91 1i50 n LYS 1188Cb 0.52 -0.33 -0.08 0.00 -0.02 0.00 0.00 35.03 35.11 1i50 n LYS 1188CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1i50 n ILE 1189N -0.14 1.19 -2.35 -0.18 5.41 -1.26 -4.66 119.36 117.37 1i50 n ILE 1189Ca 0.00 -0.36 -0.43 0.00 1.00 0.00 0.00 62.75 62.97 1i50 n ILE 1189Cb 0.00 -1.61 -0.00 0.00 -0.71 0.00 0.00 39.64 37.32 1i50 n ILE 1189CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1i50 n ASP 1190N -3.69 4.64 -3.92 4.38 2.03 -1.26 -4.89 116.55 113.84 1i50 n ASP 1190Ca -0.41 -2.90 -0.10 0.00 0.52 0.00 0.00 54.79 51.90 1i50 n ASP 1190Cb 0.83 -1.72 -0.10 0.00 -0.72 0.00 0.00 41.12 39.41 1i50 n ASP 1190CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1i50 s ILE 1191N 4.01 0.10 0.37 5.18 1.01 -1.26 -1.85 121.20 128.77 1i50 s ILE 1191Ca 0.52 -0.82 0.05 0.00 0.00 0.00 0.00 60.65 60.40 1i50 s ILE 1191Cb 0.07 -0.40 -0.03 0.00 0.01 0.00 0.00 42.46 42.11 1i50 s ILE 1191CO 0.04 -0.45 0.17 -0.31 0.00 0.00 0.00 174.94 174.39 1i50 s TYR 1192N -1.52 1.75 0.03 3.97 1.51 -0.68 -4.94 117.35 117.47 1i50 s TYR 1192Ca -0.15 -1.39 0.02 0.00 -1.01 0.00 0.00 57.07 54.54 1i50 s TYR 1192Cb -0.08 -1.00 -0.02 0.00 -0.11 0.00 0.00 41.96 40.75 1i50 s TYR 1192CO 0.00 -0.47 -0.07 -1.14 -1.11 0.00 0.00 175.55 172.76 1i50 s GLN 1193N -3.66 0.49 -0.00 -0.62 0.74 -1.26 -1.30 119.66 114.05 1i50 s GLN 1193Ca 0.30 -0.55 -0.11 0.00 0.05 0.00 0.00 55.36 55.04 1i50 s GLN 1193Cb 0.03 -0.34 0.01 0.00 1.10 0.00 0.00 33.01 33.81 1i50 s GLN 1193CO 0.18 0.08 0.23 0.96 -0.55 0.00 0.00 175.29 176.18 1i50 s ILE 1194N -0.91 0.07 -0.20 -2.34 -4.36 -0.71 -4.99 121.20 107.75 1i50 s ILE 1194Ca -0.05 -0.59 -0.06 0.00 -0.26 0.00 0.00 60.65 59.69 1i50 s ILE 1194Cb -0.07 -0.55 -0.03 0.00 1.25 0.00 0.00 42.46 43.07 1i50 s ILE 1194CO 0.00 -0.33 0.02 -1.00 0.24 0.00 0.00 174.94 173.88 1i50 s HIS 1195N -1.42 3.09 -0.01 1.37 3.76 -1.26 -1.99 115.29 118.83 1i50 s HIS 1195Ca -0.14 -0.33 -0.05 0.00 -0.15 0.00 0.00 55.06 54.40 1i50 s HIS 1195Cb -0.06 -2.10 0.00 0.00 1.11 0.00 0.00 32.58 31.53 1i50 s HIS 1195CO 0.03 -0.16 0.10 0.96 -0.85 0.00 0.00 174.74 174.81 1i50 s ILE 1196N 0.93 0.06 0.21 0.60 -4.36 -0.60 -4.93 121.20 113.10 1i50 s ILE 1196Ca 0.02 -0.46 -0.32 0.00 -0.26 0.00 0.00 60.65 59.63 1i50 s ILE 1196Cb -0.14 -0.30 -0.14 0.00 1.25 0.00 0.00 42.46 43.12 1i50 s ILE 1196CO 0.02 -0.26 1.27 -0.81 0.24 0.00 0.00 174.94 175.41 1i50 n PRO 1197N 2.08 1.59 -0.21 0.37 -0.04 -1.26 -1.98 135.00 135.54 1i50 n PRO 1197Ca -0.19 0.57 0.26 0.00 -0.04 0.00 0.00 63.50 64.09 1i50 n PRO 1197Cb 0.57 -2.13 0.66 0.00 -0.04 0.00 0.00 33.50 32.55 1i50 n PRO 1197CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 1i50 h TYR 1198N 3.69 0.18 0.00 0.54 3.20 -1.48 0.50 116.97 123.61 1i50 h TYR 1198Ca -0.44 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.44 1i50 h TYR 1198Cb 1.31 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.53 1i50 h TYR 1198CO 0.55 0.04 -0.00 0.00 -1.64 0.00 0.00 178.16 177.11 1i50 h ALA 1199N 1.57 1.65 0.11 1.82 0.00 -1.87 -1.83 119.26 120.70 1i50 h ALA 1199Ca 0.45 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 1i50 h ALA 1199Cb 1.57 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1i50 h ALA 1199CO -0.07 0.00 -0.05 0.00 0.00 0.00 0.00 179.25 179.13 1i50 h ALA 1200N 2.00 -0.15 -0.83 0.00 0.00 -0.32 -2.28 119.26 117.69 1i50 h ALA 1200Ca -0.00 -0.25 0.20 0.00 0.00 0.00 0.00 54.91 54.86 1i50 h ALA 1200Cb 0.00 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 17.71 1i50 h ALA 1200CO 0.00 -0.22 0.06 -0.22 0.00 0.00 0.00 179.25 178.87 1i50 h LYS 1201N -0.88 0.11 0.17 0.00 3.64 -1.31 0.13 116.57 118.43 1i50 h LYS 1201Ca -0.02 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1i50 h LYS 1201Cb 0.55 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1i50 h LYS 1201CO 0.02 0.07 -0.08 -0.07 -2.27 0.00 0.00 179.45 177.12 1i50 h LEU 1202N 0.11 -0.19 -0.93 5.20 3.38 -1.41 -0.81 115.31 120.66 1i50 h LEU 1202Ca 0.48 -0.17 0.17 0.00 0.09 0.00 0.00 57.88 58.44 1i50 h LEU 1202Cb 0.89 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.59 1i50 h LEU 1202CO -0.71 0.07 0.52 0.25 0.09 0.00 0.00 178.44 178.66 1i50 h LEU 1203N -0.46 0.66 -0.13 1.67 5.85 -0.52 0.34 115.31 122.72 1i50 h LEU 1203Ca -0.02 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 1i50 h LEU 1203Cb 0.36 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 1i50 h LEU 1203CO 0.04 0.26 -0.16 -0.26 -0.34 0.00 0.00 178.44 177.97 1i50 h PHE 1204N 0.70 0.41 -0.09 1.25 0.05 -0.70 -1.99 116.94 116.57 1i50 h PHE 1204Ca 0.52 -0.13 -0.03 0.00 3.82 0.00 0.00 57.97 62.14 1i50 h PHE 1204Cb 0.76 -0.08 -0.01 0.00 2.00 0.00 0.00 35.95 38.62 1i50 h PHE 1204CO -0.05 0.77 -0.10 1.96 -0.18 0.00 0.00 178.31 180.71 1i50 h GLN 1205N -0.07 0.14 -0.10 1.51 4.20 -0.35 -0.35 115.11 120.09 1i50 h GLN 1205Ca 0.02 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.61 1i50 h GLN 1205Cb 0.71 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 1i50 h GLN 1205CO 0.04 0.25 -0.36 0.93 -0.67 0.00 0.00 178.83 179.02 1i50 h GLU 1206N 0.13 0.20 -0.15 1.46 5.08 -0.19 -0.63 114.58 120.49 1i50 h GLU 1206Ca 0.03 -0.08 -0.16 0.00 -1.00 0.00 0.00 59.36 58.15 1i50 h GLU 1206Cb 0.26 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1i50 h GLU 1206CO 0.01 0.54 -0.56 -0.07 -1.00 0.00 0.00 179.01 177.94 1i50 h LEU 1207N 0.18 0.53 -1.01 1.33 3.38 -0.33 -2.62 115.31 116.75 1i50 h LEU 1207Ca 0.02 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.61 1i50 h LEU 1207Cb 0.72 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1i50 h LEU 1207CO 0.05 0.98 -0.29 0.24 0.09 0.00 0.00 178.44 179.51 1i50 h MET 1208N 0.36 0.35 -0.17 1.13 2.86 -0.75 0.11 114.93 118.82 1i50 h MET 1208Ca 0.00 -0.13 -0.06 0.00 -2.06 0.00 0.00 59.70 57.45 1i50 h MET 1208Cb 1.09 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.72 1i50 h MET 1208CO 0.10 0.61 -0.15 0.00 1.06 0.00 0.00 176.91 178.53 1i50 h ALA 1209N 1.39 1.43 -0.67 6.32 0.00 -0.79 -2.42 119.26 124.52 1i50 h ALA 1209Ca 0.04 -0.23 -0.30 0.00 0.00 0.00 0.00 54.91 54.42 1i50 h ALA 1209Cb 0.68 -0.09 -0.18 0.00 0.00 0.00 0.00 17.79 18.19 1i50 h ALA 1209CO 0.05 0.40 0.38 -1.33 0.00 0.00 0.00 179.25 178.75 1i50 n MET 1210N -4.24 2.38 -1.16 0.00 2.00 -0.82 -4.89 117.12 110.39 1i50 n MET 1210Ca -0.01 -2.27 -0.06 0.00 0.00 0.00 0.00 57.70 55.37 1i50 n MET 1210Cb 0.29 -1.92 -0.02 0.00 0.00 0.00 0.00 33.22 31.57 1i50 n MET 1210CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1i50 n ASN 1211N -0.46 -5.19 -4.74 7.83 2.85 -0.91 -4.99 115.26 109.65 1i50 n ASN 1211Ca 0.39 0.14 -0.35 0.00 -0.11 0.00 0.00 54.58 54.64 1i50 n ASN 1211Cb 1.29 -3.17 -0.08 0.00 1.24 0.00 0.00 39.78 39.05 1i50 n ASN 1211CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1i50 s ILE 1212N -1.70 4.81 -0.38 -1.44 1.01 0.33 -4.99 121.20 118.86 1i50 s ILE 1212Ca 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 60.65 60.50 1i50 s ILE 1212Cb 0.00 -3.08 0.03 0.00 0.01 0.00 0.00 42.46 39.42 1i50 s ILE 1212CO 0.00 0.58 0.20 0.42 0.00 0.00 0.00 174.94 176.14 1i50 s THR 1213N -0.64 4.48 -1.18 2.92 -4.23 -1.26 -2.73 115.64 113.00 1i50 s THR 1213Ca 0.11 -0.94 -0.12 0.00 -1.18 0.00 0.00 61.69 59.56 1i50 s THR 1213Cb -0.12 -3.53 0.21 0.00 1.34 0.00 0.00 72.50 70.41 1i50 s THR 1213CO 0.02 -0.26 1.33 -0.81 -0.54 0.00 0.00 174.62 174.36 1i50 n PRO 1214N 4.98 3.47 -1.76 3.99 -0.04 -1.26 -5.01 135.00 139.36 1i50 n PRO 1214Ca -0.12 -4.08 -0.42 0.00 -0.04 0.00 0.00 63.50 58.84 1i50 n PRO 1214Cb 0.46 -2.84 -0.03 0.00 -0.04 0.00 0.00 33.50 31.04 1i50 n PRO 1214CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1i50 s ARG 1215N 0.38 4.10 -0.29 0.54 1.81 -1.26 -4.72 118.95 119.51 1i50 s ARG 1215Ca 0.38 2.46 -0.12 0.00 -1.72 0.00 0.00 55.73 56.74 1i50 s ARG 1215Cb -0.05 -4.13 -0.04 0.00 -0.45 0.00 0.00 34.95 30.28 1i50 s ARG 1215CO -0.03 -0.99 0.22 -0.51 -0.68 0.00 0.00 175.30 173.31 1i50 s LEU 1216N 4.56 4.09 0.05 2.53 1.43 0.22 -4.84 118.68 126.72 1i50 s LEU 1216Ca 0.85 -0.04 0.09 0.00 -1.03 0.00 0.00 54.13 54.00 1i50 s LEU 1216Cb -0.40 -2.16 -0.03 0.00 0.03 0.00 0.00 46.19 43.64 1i50 s LEU 1216CO 0.38 -0.09 -0.26 -0.31 0.23 0.00 0.00 176.35 176.29 1i50 s TYR 1217N 1.79 2.32 -0.64 0.29 4.12 -1.26 -4.31 117.35 119.67 1i50 s TYR 1217Ca 0.08 -0.41 0.24 0.00 0.02 0.00 0.00 57.07 56.99 1i50 s TYR 1217Cb -0.16 -1.39 0.27 0.00 -1.52 0.00 0.00 41.96 39.16 1i50 s TYR 1217CO 0.11 0.13 1.25 0.25 0.02 0.00 0.00 175.55 177.30 1i50 n THR 1218N 1.77 0.30 -4.28 -0.71 -2.24 -1.26 -4.85 114.28 103.01 1i50 n THR 1218Ca -0.17 -0.26 -0.34 0.00 -2.27 0.00 0.00 64.05 61.01 1i50 n THR 1218Cb 0.52 -0.04 -0.12 0.00 -2.10 0.00 0.00 70.33 68.59 1i50 n THR 1218CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1i50 s ASP 1219N -4.13 4.86 0.04 3.42 1.01 -1.26 -5.00 116.67 115.61 1i50 s ASP 1219Ca 0.06 -0.13 -0.17 0.00 0.71 0.00 0.00 52.55 53.02 1i50 s ASP 1219Cb 0.14 -1.81 -0.26 0.00 1.01 0.00 0.00 42.92 42.00 1i50 s ASP 1219CO 0.74 0.14 1.11 -0.09 0.21 0.00 0.00 175.17 177.28 1i50 h ARG 1220N 6.91 0.57 -6.31 8.23 2.43 -2.06 -3.42 114.38 120.73 1i50 h ARG 1220Ca -0.33 -0.68 -0.57 0.00 -0.81 0.00 0.00 59.98 57.59 1i50 h ARG 1220Cb 1.19 0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.91 1i50 h ARG 1220CO 0.63 1.28 1.24 -1.54 -1.51 0.00 0.00 179.97 180.07 1i50 s SER 1221N -7.17 5.96 0.31 -3.80 1.04 -1.26 -4.97 113.70 103.81 1i50 s SER 1221Ca -0.11 1.16 0.00 0.00 0.48 0.00 0.00 55.95 57.48 1i50 s SER 1221Cb 0.05 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.64 1i50 s SER 1221CO 0.89 -1.68 0.00 0.54 0.98 0.00 0.00 173.24 173.97 1i50 n ARG 1222N 8.39 0.10 -0.41 4.02 1.74 -1.26 -4.78 116.66 124.46 1i50 n ARG 1222Ca 0.21 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.25 1i50 n ARG 1222Cb 0.47 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 32.01 1i50 n ARG 1222CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1i50 n ASP 1223N -0.93 3.10 -0.87 0.55 8.00 -1.26 -5.17 116.55 119.98 1i50 n ASP 1223Ca 0.00 -2.51 0.11 0.00 0.71 0.00 0.00 54.79 53.10 1i50 n ASP 1223Cb 0.00 -0.61 0.09 0.00 -0.02 0.00 0.00 41.12 40.58 1i50 n ASP 1223CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30