#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k83 n GLU 19 N 0.00 -0.27 -1.58 3.97 1.02 -1.26 -4.89 120.64 117.63 1k83 n GLU 19 Ca 0.00 0.56 -0.47 0.00 -0.02 0.00 0.00 57.16 57.24 1k83 n GLU 19 Cb 0.00 -2.27 -0.05 0.00 -0.02 0.00 0.00 31.44 29.11 1k83 n GLU 19 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1k83 n ASP 20 N -1.29 3.04 0.00 1.62 9.92 -1.26 -4.78 116.55 123.80 1k83 n ASP 20 Ca -0.00 0.52 0.00 0.00 -0.53 0.00 0.00 54.79 54.77 1k83 n ASP 20 Cb 0.50 -1.42 0.00 0.00 -0.64 0.00 0.00 41.12 39.57 1k83 n ASP 20 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1k83 n GLU 21 N 7.96 0.00 -0.43 -1.24 0.28 -1.26 -0.18 120.64 125.77 1k83 n GLU 21 Ca 0.31 0.42 0.08 0.00 -0.16 0.00 0.00 57.16 57.80 1k83 n GLU 21 Cb 0.34 -1.58 0.26 0.00 1.43 0.00 0.00 31.44 31.89 1k83 n GLU 21 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1k83 n SER 22 N -1.42 3.89 -4.76 -1.84 7.64 -1.26 -0.89 113.62 114.98 1k83 n SER 22 Ca 0.00 -2.72 -0.39 0.00 1.01 0.00 0.00 58.87 56.77 1k83 n SER 22 Cb 0.08 -0.48 -0.06 0.00 -1.01 0.00 0.00 64.21 62.73 1k83 n SER 22 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k83 s ALA 23 N -2.30 3.31 0.81 -0.43 0.00 0.75 -4.86 121.76 119.04 1k83 s ALA 23 Ca 0.39 0.65 -0.15 0.00 0.00 0.00 0.00 51.96 52.86 1k83 s ALA 23 Cb 0.29 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 20.19 1k83 s ALA 23 CO 0.12 0.12 0.62 -2.30 0.00 0.00 0.00 175.76 174.32 1k83 n PRO 24 N 1.13 0.10 -3.29 0.00 -0.02 -1.26 -1.07 135.00 130.58 1k83 n PRO 24 Ca -0.01 0.09 -0.29 0.00 -2.02 0.00 0.00 63.50 61.27 1k83 n PRO 24 Cb 0.47 -1.96 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 1k83 n PRO 24 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1k83 s ILE 25 N -2.10 4.99 0.29 4.25 1.01 -1.26 -4.41 121.20 123.97 1k83 s ILE 25 Ca 0.64 0.15 0.08 0.00 0.00 0.00 0.00 60.65 61.53 1k83 s ILE 25 Cb -0.29 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 1k83 s ILE 25 CO 0.60 -0.32 0.13 0.42 0.00 0.00 0.00 174.94 175.77 1k83 s THR 26 N -2.09 3.70 0.32 2.92 -4.23 -1.26 -4.85 115.64 110.14 1k83 s THR 26 Ca 0.45 -1.63 0.08 0.00 -1.18 0.00 0.00 61.69 59.41 1k83 s THR 26 Cb -0.11 -3.10 0.31 0.00 1.34 0.00 0.00 72.50 70.95 1k83 s THR 26 CO 0.29 -0.30 1.76 0.00 -0.54 0.00 0.00 174.62 175.84 1k83 h ALA 27 N 1.60 1.77 -0.40 3.99 0.00 -1.98 0.43 119.26 124.67 1k83 h ALA 27 Ca -0.46 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 1k83 h ALA 27 Cb 1.25 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1k83 h ALA 27 CO 0.61 -0.18 0.04 1.49 0.00 0.00 0.00 179.25 181.21 1k83 h GLU 28 N 0.67 0.62 0.00 0.00 4.57 -1.98 -2.30 114.58 116.15 1k83 h GLU 28 Ca 0.60 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.65 1k83 h GLU 28 Cb 1.06 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 1k83 h GLU 28 CO -0.40 0.62 0.00 -0.25 -1.18 0.00 0.00 179.01 177.80 1k83 n ASP 29 N -4.28 0.00 0.11 1.04 8.00 0.14 -3.13 116.55 118.43 1k83 n ASP 29 Ca 0.02 0.16 -0.13 0.00 0.71 0.00 0.00 54.79 55.55 1k83 n ASP 29 Cb 0.24 -0.24 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 1k83 n ASP 29 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1k83 h SER 30 N 0.00 -0.19 -0.19 -2.24 0.02 -1.47 -3.08 113.55 106.39 1k83 h SER 30 Ca 0.00 -0.10 0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1k83 h SER 30 Cb 0.04 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1k83 h SER 30 CO 0.00 -0.02 0.29 -0.50 -1.14 0.00 0.00 176.83 175.46 1k83 h TRP 31 N -0.36 0.00 -0.17 3.45 4.06 -1.78 0.81 115.95 121.96 1k83 h TRP 31 Ca -0.02 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.87 1k83 h TRP 31 Cb 0.28 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.44 1k83 h TRP 31 CO -0.03 0.00 -0.12 0.00 -3.56 0.00 0.00 178.44 174.74 1k83 h ALA 32 N 1.59 0.25 -0.11 1.49 0.00 -1.76 0.22 119.26 120.93 1k83 h ALA 32 Ca 0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1k83 h ALA 32 Cb 0.68 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1k83 h ALA 32 CO -0.00 0.10 -0.08 0.28 0.00 0.00 0.00 179.25 179.55 1k83 h VAL 33 N 0.05 1.13 0.03 0.00 2.07 -0.94 -1.82 116.25 116.75 1k83 h VAL 33 Ca 0.03 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 1k83 h VAL 33 Cb 0.62 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1k83 h VAL 33 CO 0.03 0.17 -0.01 0.40 0.02 0.00 0.00 177.57 178.18 1k83 h ILE 34 N 0.16 1.44 -0.96 4.57 2.04 -1.05 -2.78 117.51 120.92 1k83 h ILE 34 Ca 0.03 -1.66 0.19 0.00 1.00 0.00 0.00 64.86 64.43 1k83 h ILE 34 Cb 0.25 2.52 -0.11 0.00 -0.74 0.00 0.00 36.82 38.74 1k83 h ILE 34 CO 0.01 0.41 0.55 0.28 0.00 0.00 0.00 178.15 179.41 1k83 h SER 35 N -0.78 0.67 -0.99 1.72 0.02 -0.40 0.61 113.55 114.40 1k83 h SER 35 Ca -0.00 0.11 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1k83 h SER 35 Cb 0.70 -0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.19 1k83 h SER 35 CO 0.01 0.21 0.66 0.00 -1.14 0.00 0.00 176.83 176.56 1k83 h ALA 36 N 1.65 1.25 0.23 3.77 0.00 -1.34 0.22 119.26 125.04 1k83 h ALA 36 Ca 0.56 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.39 1k83 h ALA 36 Cb 0.91 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1k83 h ALA 36 CO -0.41 0.64 -0.11 0.35 0.00 0.00 0.00 179.25 179.73 1k83 h PHE 37 N 1.34 -0.28 0.00 0.00 3.57 0.45 -2.63 116.94 119.39 1k83 h PHE 37 Ca 0.36 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.80 1k83 h PHE 37 Cb -0.15 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 1k83 h PHE 37 CO -0.00 -0.11 -0.26 0.74 -2.23 0.00 0.00 178.31 176.45 1k83 h PHE 38 N -0.39 0.00 0.00 0.41 0.05 -0.93 -1.36 116.94 114.72 1k83 h PHE 38 Ca -0.03 0.00 -0.09 0.00 3.82 0.00 0.00 57.97 61.67 1k83 h PHE 38 Cb 0.30 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.23 1k83 h PHE 38 CO -0.04 0.26 -0.42 0.00 -0.18 0.00 0.00 178.31 177.93 1k83 h ARG 39 N 0.00 0.00 0.00 1.51 3.08 -0.41 0.11 114.38 118.68 1k83 h ARG 39 Ca -0.00 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.78 1k83 h ARG 39 Cb 0.80 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.80 1k83 h ARG 39 CO 0.03 0.42 -1.90 -1.91 -1.07 0.00 0.00 179.97 175.55 1k83 n GLU 40 N -3.85 0.65 -0.01 0.04 2.13 -1.01 -4.61 120.64 113.99 1k83 n GLU 40 Ca -0.01 0.14 0.01 0.00 0.66 0.00 0.00 57.16 57.96 1k83 n GLU 40 Cb 0.48 -1.68 -0.05 0.00 0.27 0.00 0.00 31.44 30.45 1k83 n GLU 40 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1k83 n LYS 41 N -2.86 1.07 0.00 5.31 5.02 -0.55 -5.10 118.16 121.06 1k83 n LYS 41 Ca -0.20 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.05 1k83 n LYS 41 Cb 1.01 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.85 1k83 n LYS 41 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k83 n GLY 42 N 2.26 0.58 0.00 0.72 0.00 0.39 -3.86 105.19 105.28 1k83 n GLY 42 Ca -0.04 -0.87 0.03 0.00 0.00 0.00 0.00 46.02 45.13 1k83 n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k83 n LEU 43 N 0.00 0.14 -2.24 0.99 4.77 -1.26 -4.72 117.00 114.68 1k83 n LEU 43 Ca 0.00 -0.29 -0.15 0.00 -0.03 0.00 0.00 56.01 55.55 1k83 n LEU 43 Cb 0.00 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1k83 n LEU 43 CO 0.00 0.03 0.12 1.33 -1.33 0.00 0.00 177.39 177.55 1k83 n VAL 44 N -1.36 2.06 0.29 4.08 0.24 -1.26 -4.81 118.33 117.57 1k83 n VAL 44 Ca 0.00 -3.71 0.16 0.00 -2.04 0.00 0.00 64.34 58.75 1k83 n VAL 44 Cb 0.10 -0.27 0.90 0.00 -1.47 0.00 0.00 33.84 33.10 1k83 n VAL 44 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1k83 h SER 45 N 2.27 0.00 -0.59 -1.34 4.64 -1.86 -1.45 113.55 115.21 1k83 h SER 45 Ca 0.18 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.47 1k83 h SER 45 Cb 1.44 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.50 1k83 h SER 45 CO 0.53 0.04 0.26 0.06 -0.87 0.00 0.00 176.83 176.86 1k83 h GLN 46 N 0.00 0.90 0.29 4.77 -0.00 -1.91 0.18 115.11 119.34 1k83 h GLN 46 Ca -0.00 -0.13 -0.01 0.00 -0.00 0.00 0.00 58.65 58.50 1k83 h GLN 46 Cb 0.15 -0.16 0.00 0.00 -0.00 0.00 0.00 27.48 27.47 1k83 h GLN 46 CO 0.01 0.72 -0.14 1.96 -0.00 0.00 0.00 178.83 181.38 1k83 h GLN 47 N 0.89 -0.38 -0.21 0.06 1.08 -1.62 -2.84 115.11 112.09 1k83 h GLN 47 Ca 0.21 0.03 0.05 0.00 -1.45 0.00 0.00 58.65 57.49 1k83 h GLN 47 Cb 0.15 0.09 -0.07 0.00 -0.05 0.00 0.00 27.48 27.59 1k83 h GLN 47 CO -0.02 -0.25 -0.39 -0.07 -0.95 0.00 0.00 178.83 177.14 1k83 h LEU 48 N -0.78 -1.25 -0.41 1.46 3.38 -1.45 -1.52 115.31 114.74 1k83 h LEU 48 Ca -0.04 0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.16 1k83 h LEU 48 Cb 0.30 0.53 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 1k83 h LEU 48 CO 0.07 -0.39 0.16 0.44 0.09 0.00 0.00 178.44 178.81 1k83 h ASP 49 N -0.42 0.19 -0.21 -0.43 3.32 -0.79 0.17 116.42 118.24 1k83 h ASP 49 Ca 0.10 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.22 1k83 h ASP 49 Cb 0.59 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 1k83 h ASP 49 CO -0.44 0.14 0.06 -1.28 -1.72 0.00 0.00 179.24 176.01 1k83 h SER 50 N 0.33 0.06 -0.17 6.45 0.87 -1.22 -0.14 113.55 119.73 1k83 h SER 50 Ca 0.19 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.76 1k83 h SER 50 Cb 0.16 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1k83 h SER 50 CO -0.18 0.06 0.05 0.15 -0.53 0.00 0.00 176.83 176.38 1k83 h PHE 51 N 0.16 0.28 -0.55 2.24 3.57 -0.92 -2.50 116.94 119.22 1k83 h PHE 51 Ca 0.09 -0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.63 1k83 h PHE 51 Cb 0.07 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.67 1k83 h PHE 51 CO -0.13 0.39 0.23 -0.91 -2.23 0.00 0.00 178.31 175.67 1k83 h ASN 52 N 0.10 0.28 -0.55 0.41 2.35 -0.48 0.83 115.58 118.52 1k83 h ASN 52 Ca 0.05 0.05 0.11 0.00 -0.55 0.00 0.00 56.30 55.97 1k83 h ASN 52 Cb 0.25 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 1k83 h ASN 52 CO -0.00 0.19 0.38 -0.61 -1.65 0.00 0.00 177.43 175.73 1k83 h GLN 53 N 0.44 0.25 0.26 0.81 5.75 -0.82 0.11 115.11 121.92 1k83 h GLN 53 Ca 0.26 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.73 1k83 h GLN 53 Cb 0.25 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.75 1k83 h GLN 53 CO -0.23 0.17 -0.13 0.35 -2.65 0.00 0.00 178.83 176.34 1k83 h PHE 54 N 0.26 -0.32 -0.08 3.99 3.57 -0.45 -1.47 116.94 122.43 1k83 h PHE 54 Ca 0.26 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.77 1k83 h PHE 54 Cb 0.67 0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.46 1k83 h PHE 54 CO -0.00 -0.20 -0.49 0.28 -2.23 0.00 0.00 178.31 175.66 1k83 h VAL 55 N -0.53 0.00 -0.08 1.41 2.07 -0.81 0.35 116.25 118.67 1k83 h VAL 55 Ca -0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.51 1k83 h VAL 55 Cb 0.27 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 1k83 h VAL 55 CO 0.06 0.00 -0.11 0.44 0.02 0.00 0.00 177.57 177.98 1k83 h ASP 56 N -0.56 -0.33 0.00 0.57 3.32 -0.91 -3.38 116.42 115.14 1k83 h ASP 56 Ca 0.02 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1k83 h ASP 56 Cb 0.63 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 1k83 h ASP 56 CO -0.37 -0.15 -0.57 -1.22 -1.72 0.00 0.00 179.24 175.21 1k83 n TYR 57 N -5.24 0.00 -0.30 4.55 4.02 -0.64 -4.70 117.16 114.84 1k83 n TYR 57 Ca -0.04 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.95 1k83 n TYR 57 Cb 0.17 -0.17 0.27 0.00 -0.02 0.00 0.00 39.34 39.58 1k83 n TYR 57 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 1k83 h THR 58 N -0.27 0.60 -0.15 -0.72 2.02 -0.86 -2.26 112.91 111.27 1k83 h THR 58 Ca -0.05 -0.18 0.05 0.00 0.77 0.00 0.00 66.41 67.00 1k83 h THR 58 Cb 0.51 0.04 -0.05 0.00 -1.74 0.00 0.00 68.15 66.91 1k83 h THR 58 CO -0.03 0.09 -0.18 0.25 0.37 0.00 0.00 175.52 176.02 1k83 h LEU 59 N 0.52 -0.57 0.31 2.58 5.85 -0.48 -2.48 115.31 121.04 1k83 h LEU 59 Ca 0.51 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 59.32 1k83 h LEU 59 Cb 0.86 0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1k83 h LEU 59 CO -0.44 -0.23 -0.16 -0.61 -0.34 0.00 0.00 178.44 176.66 1k83 h GLN 60 N -0.22 -0.41 -0.32 1.25 5.75 -1.65 -2.77 115.11 116.74 1k83 h GLN 60 Ca 0.10 0.03 0.09 0.00 -0.15 0.00 0.00 58.65 58.72 1k83 h GLN 60 Cb 0.37 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.00 1k83 h GLN 60 CO -0.28 -0.27 0.50 -0.44 -2.65 0.00 0.00 178.83 175.69 1k83 h ASP 61 N -0.42 0.00 0.89 -0.69 5.19 -1.16 0.30 116.42 120.53 1k83 h ASP 61 Ca -0.04 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.14 1k83 h ASP 61 Cb 0.33 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.81 1k83 h ASP 61 CO 0.06 0.00 -1.12 0.40 -3.12 0.00 0.00 179.24 175.46 1k83 h ILE 62 N 0.00 1.58 0.00 0.35 2.04 -1.16 -3.20 117.51 117.13 1k83 h ILE 62 Ca 0.15 -3.30 0.00 0.00 1.00 0.00 0.00 64.86 62.72 1k83 h ILE 62 Cb 1.16 2.81 0.00 0.00 -0.74 0.00 0.00 36.82 40.04 1k83 h ILE 62 CO -0.00 0.91 0.00 0.00 0.00 0.00 0.00 178.15 179.06 1k83 n ILE 63 N -3.33 0.77 0.83 -0.67 0.13 0.10 -2.73 119.36 114.47 1k83 n ILE 63 Ca -0.03 0.19 0.09 0.00 -1.10 0.00 0.00 62.75 61.89 1k83 n ILE 63 Cb 0.96 -0.89 -0.08 0.00 -0.84 0.00 0.00 39.64 38.79 1k83 n ILE 63 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1k83 s GLU 65 N -2.55 3.86 -1.42 0.00 -1.05 -1.10 -3.40 118.70 113.04 1k83 s GLU 65 Ca 0.09 0.42 -0.00 0.00 -0.15 0.00 0.00 54.97 55.32 1k83 s GLU 65 Cb 0.14 -3.76 0.00 0.00 -0.44 0.00 0.00 34.13 30.07 1k83 s GLU 65 CO 0.67 -0.73 0.01 -0.25 0.95 0.00 0.00 175.26 175.91 1k83 n ASP 66 N 6.23 -4.92 -0.88 0.83 8.00 -1.26 -4.84 116.55 119.70 1k83 n ASP 66 Ca 0.02 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1k83 n ASP 66 Cb 0.48 -4.02 0.00 0.00 -0.02 0.00 0.00 41.12 37.56 1k83 n ASP 66 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1k83 n SER 67 N -1.18 2.36 -3.78 -2.24 3.41 -1.22 -4.72 113.62 106.26 1k83 n SER 67 Ca -0.20 -1.86 -0.13 0.00 -0.26 0.00 0.00 58.87 56.42 1k83 n SER 67 Cb 0.65 -0.47 -0.11 0.00 -0.26 0.00 0.00 64.21 64.02 1k83 n SER 67 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1k83 s THR 68 N -0.18 0.00 0.10 6.66 2.01 -1.26 -2.05 115.64 120.92 1k83 s THR 68 Ca 0.00 -0.00 0.10 0.00 0.31 0.00 0.00 61.69 62.10 1k83 s THR 68 Cb 0.00 -0.40 -0.04 0.00 0.01 0.00 0.00 72.50 72.07 1k83 s THR 68 CO 0.00 -0.00 -0.26 -0.76 -0.69 0.00 0.00 174.62 172.91 1k83 s LEU 69 N 0.14 2.33 -0.19 4.42 1.43 -1.11 -5.04 118.68 120.65 1k83 s LEU 69 Ca -0.00 -0.67 -0.10 0.00 -1.03 0.00 0.00 54.13 52.33 1k83 s LEU 69 Cb -0.02 -1.28 -0.12 0.00 0.03 0.00 0.00 46.19 44.80 1k83 s LEU 69 CO 0.00 0.21 1.38 -0.38 0.23 0.00 0.00 176.35 177.79 1k83 n ILE 70 N 1.18 0.49 -0.01 -0.59 5.41 -1.26 -4.58 119.36 120.00 1k83 n ILE 70 Ca -0.17 -0.33 -0.03 0.00 1.00 0.00 0.00 62.75 63.22 1k83 n ILE 70 Cb 0.53 -1.78 -0.01 0.00 -0.71 0.00 0.00 39.64 37.67 1k83 n ILE 70 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1k83 n GLU 89 N 5.79 0.06 -1.78 0.38 1.02 0.81 -4.98 120.64 121.93 1k83 n GLU 89 Ca 0.22 0.02 -0.01 0.00 -0.02 0.00 0.00 57.16 57.38 1k83 n GLU 89 Cb 0.16 -0.60 -0.01 0.00 -0.02 0.00 0.00 31.44 30.96 1k83 n GLU 89 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1k83 n ILE 90 N -3.10 -7.99 -4.37 -3.67 5.41 -1.25 -4.95 119.36 99.44 1k83 n ILE 90 Ca -0.05 1.60 -0.19 0.00 1.00 0.00 0.00 62.75 65.10 1k83 n ILE 90 Cb 0.54 -4.72 -0.14 0.00 -0.71 0.00 0.00 39.64 34.61 1k83 n ILE 90 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1k83 s SER 91 N -0.32 1.42 0.15 4.38 1.04 -1.17 -2.74 113.70 116.46 1k83 s SER 91 Ca -0.04 -0.35 -0.15 0.00 0.48 0.00 0.00 55.95 55.89 1k83 s SER 91 Cb 0.00 -0.11 -0.07 0.00 0.10 0.00 0.00 66.02 65.94 1k83 s SER 91 CO 0.10 0.05 0.56 -0.36 0.98 0.00 0.00 173.24 174.58 1k83 s PHE 92 N -0.64 3.62 0.00 5.02 0.40 -0.87 -1.11 117.98 124.40 1k83 s PHE 92 Ca 0.02 1.10 0.00 0.00 -0.60 0.00 0.00 56.93 57.44 1k83 s PHE 92 Cb -0.06 -2.39 0.00 0.00 0.51 0.00 0.00 43.02 41.07 1k83 s PHE 92 CO 0.00 0.43 0.00 0.41 0.70 0.00 0.00 175.22 176.76 1k83 n GLY 93 N 0.83 0.69 3.92 4.36 0.00 0.29 -4.86 105.19 110.43 1k83 n GLY 93 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 1k83 n GLY 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1k83 s LYS 94 N 1.31 3.52 0.01 1.61 2.20 -1.26 -4.81 119.74 122.33 1k83 s LYS 94 Ca 0.00 -0.33 0.06 0.00 -0.36 0.00 0.00 55.97 55.34 1k83 s LYS 94 Cb 0.00 -2.87 -0.03 0.00 -1.51 0.00 0.00 37.83 33.42 1k83 s LYS 94 CO 0.00 0.44 -0.16 0.42 -0.36 0.00 0.00 175.35 175.69 1k83 s ILE 95 N -1.79 2.94 -0.02 5.43 1.01 -1.26 -1.75 121.20 125.75 1k83 s ILE 95 Ca 0.38 -1.03 0.04 0.00 0.00 0.00 0.00 60.65 60.05 1k83 s ILE 95 Cb -0.11 -2.22 -0.01 0.00 0.01 0.00 0.00 42.46 40.13 1k83 s ILE 95 CO 0.28 0.41 -0.15 -0.31 0.00 0.00 0.00 174.94 175.17 1k83 s TYR 96 N -0.88 1.41 -0.30 3.97 1.51 0.09 -5.00 117.35 118.15 1k83 s TYR 96 Ca 0.14 -0.33 -0.00 0.00 -1.01 0.00 0.00 57.07 55.87 1k83 s TYR 96 Cb -0.11 -0.94 0.06 0.00 -0.11 0.00 0.00 41.96 40.87 1k83 s TYR 96 CO 0.04 -0.09 -0.01 0.08 -1.11 0.00 0.00 175.55 174.47 1k83 s VAL 97 N -0.12 2.78 1.13 0.71 1.01 -1.26 -1.76 120.40 122.88 1k83 s VAL 97 Ca 0.01 -1.56 -0.12 0.00 0.00 0.00 0.00 61.98 60.31 1k83 s VAL 97 Cb -0.08 -2.66 0.27 0.00 0.00 0.00 0.00 36.38 33.91 1k83 s VAL 97 CO 0.01 -0.17 1.04 -0.89 0.00 0.00 0.00 175.10 175.09 1k83 s THR 98 N 1.19 2.03 0.81 3.92 2.01 -0.55 -4.96 115.64 120.10 1k83 s THR 98 Ca -0.04 0.01 -0.12 0.00 0.31 0.00 0.00 61.69 61.85 1k83 s THR 98 Cb -0.20 -2.07 0.08 0.00 0.01 0.00 0.00 72.50 70.33 1k83 s THR 98 CO -0.03 -0.01 1.18 -0.54 -0.69 0.00 0.00 174.62 174.53 1k83 s LYS 99 N -4.49 1.91 0.04 4.92 -0.14 -1.26 -4.42 119.74 116.30 1k83 s LYS 99 Ca 0.68 0.07 -0.30 0.00 -1.36 0.00 0.00 55.97 55.06 1k83 s LYS 99 Cb -0.25 -1.95 -0.08 0.00 -1.68 0.00 0.00 37.83 33.87 1k83 s LYS 99 CO 0.64 -1.62 1.71 -2.14 -0.76 0.00 0.00 175.35 173.17 1k83 s PRO 100 N -5.58 4.18 0.21 -1.68 0.02 -1.26 -4.28 135.00 126.62 1k83 s PRO 100 Ca 0.62 2.36 0.01 0.00 0.02 0.00 0.00 61.00 64.01 1k83 s PRO 100 Cb -0.11 -3.75 -0.05 0.00 0.02 0.00 0.00 34.50 30.62 1k83 s PRO 100 CO 0.49 -0.79 0.08 0.00 -0.33 0.00 0.00 177.00 176.45 1k83 s MET 101 N 3.16 1.24 0.02 5.54 0.23 -0.98 -1.42 119.30 127.09 1k83 s MET 101 Ca 0.76 -1.65 0.09 0.00 -1.03 0.00 0.00 55.69 53.86 1k83 s MET 101 Cb -0.39 -0.07 -0.03 0.00 -1.53 0.00 0.00 34.83 32.81 1k83 s MET 101 CO 0.33 -0.28 -0.26 0.08 -2.03 0.00 0.00 175.02 172.86 1k83 s VAL 102 N -3.87 2.11 -0.48 5.16 1.01 0.07 -4.65 120.40 119.75 1k83 s VAL 102 Ca 0.34 -1.30 -0.23 0.00 0.00 0.00 0.00 61.98 60.79 1k83 s VAL 102 Cb 0.07 -1.79 0.03 0.00 0.00 0.00 0.00 36.38 34.70 1k83 s VAL 102 CO 0.10 0.43 0.80 0.21 0.00 0.00 0.00 175.10 176.64 1k83 s ASN 103 N -1.04 6.38 -0.11 3.32 2.47 -1.26 -3.21 114.94 121.49 1k83 s ASN 103 Ca 0.11 -0.24 -0.08 0.00 0.42 0.00 0.00 52.86 53.07 1k83 s ASN 103 Cb -0.10 -2.39 -0.04 0.00 -1.45 0.00 0.00 41.25 37.27 1k83 s ASN 103 CO 0.01 -0.98 0.17 -1.61 -3.72 0.00 0.00 177.10 170.97 1k83 s GLU 104 N 3.37 3.55 -0.36 0.43 2.02 -1.26 -4.81 118.70 121.64 1k83 s GLU 104 Ca 0.29 -0.07 -0.21 0.00 0.02 0.00 0.00 54.97 55.00 1k83 s GLU 104 Cb -0.13 -3.21 0.00 0.00 0.10 0.00 0.00 34.13 30.89 1k83 s GLU 104 CO 0.21 0.73 0.67 -1.54 0.02 0.00 0.00 175.26 175.35 1k83 s SER 105 N -0.93 6.46 -0.46 -0.19 1.04 -1.26 -3.88 113.70 114.48 1k83 s SER 105 Ca 0.16 0.21 -0.02 0.00 0.48 0.00 0.00 55.95 56.78 1k83 s SER 105 Cb -0.12 -2.34 -0.02 0.00 0.10 0.00 0.00 66.02 63.63 1k83 s SER 105 CO 0.05 -0.62 0.39 0.47 0.98 0.00 0.00 173.24 174.51 1k83 n ASP 106 N 6.13 -3.19 0.00 7.02 10.43 -1.26 -4.91 116.55 130.76 1k83 n ASP 106 Ca -0.00 -0.28 0.00 0.00 2.57 0.00 0.00 54.79 57.08 1k83 n ASP 106 Cb 0.48 -2.44 0.00 0.00 1.84 0.00 0.00 41.12 41.01 1k83 n ASP 106 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1k83 n GLY 107 N -1.26 1.86 3.43 0.44 0.00 -1.25 -5.16 105.19 103.26 1k83 n GLY 107 Ca -0.06 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 1k83 n GLY 107 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1k83 n VAL 108 N -0.41 0.36 -2.73 1.61 0.31 -1.26 -4.33 118.33 111.87 1k83 n VAL 108 Ca 0.00 -0.22 -0.43 0.00 -0.01 0.00 0.00 64.34 63.68 1k83 n VAL 108 Cb 0.00 -0.66 -0.03 0.00 -0.91 0.00 0.00 33.84 32.24 1k83 n VAL 108 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1k83 s THR 109 N -2.31 4.68 0.35 2.52 2.01 -1.26 -4.34 115.64 117.29 1k83 s THR 109 Ca 0.59 1.79 0.01 0.00 0.31 0.00 0.00 61.69 64.39 1k83 s THR 109 Cb -0.24 -4.28 -0.03 0.00 0.01 0.00 0.00 72.50 67.96 1k83 s THR 109 CO 0.65 -0.24 0.55 -2.28 -0.69 0.00 0.00 174.62 172.62 1k83 s HIS 110 N 3.22 3.45 0.45 4.92 5.04 -1.20 -4.88 115.29 126.28 1k83 s HIS 110 Ca 0.41 0.29 -0.18 0.00 -1.54 0.00 0.00 55.06 54.04 1k83 s HIS 110 Cb -0.14 -1.94 -0.09 0.00 0.04 0.00 0.00 32.58 30.45 1k83 s HIS 110 CO 0.09 0.07 0.93 0.00 -2.34 0.00 0.00 174.74 173.49 1k83 s ALA 111 N -2.33 3.10 -0.11 1.58 0.00 -1.26 -0.75 121.76 121.99 1k83 s ALA 111 Ca 0.41 0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.63 1k83 s ALA 111 Cb -0.10 -3.07 0.02 0.00 0.00 0.00 0.00 23.12 19.97 1k83 s ALA 111 CO 0.36 0.02 -0.11 -1.17 0.00 0.00 0.00 175.76 174.85 1k83 s LEU 112 N -3.50 1.48 -0.10 0.00 2.96 -0.51 -4.70 118.68 114.30 1k83 s LEU 112 Ca 0.60 -0.36 -0.05 0.00 -0.22 0.00 0.00 54.13 54.10 1k83 s LEU 112 Cb -0.09 -0.94 -0.04 0.00 0.50 0.00 0.00 46.19 45.62 1k83 s LEU 112 CO 0.21 -0.05 0.08 -0.31 -1.32 0.00 0.00 176.35 174.95 1k83 s TYR 113 N 1.30 3.40 0.25 5.38 1.51 -1.26 -4.70 117.35 123.21 1k83 s TYR 113 Ca -0.02 0.37 -0.13 0.00 -1.01 0.00 0.00 57.07 56.29 1k83 s TYR 113 Cb -0.14 -1.87 0.33 0.00 -0.11 0.00 0.00 41.96 40.18 1k83 s TYR 113 CO -0.05 0.61 1.57 -1.00 -1.11 0.00 0.00 175.55 175.58 1k83 h PRO 114 N 5.06 -0.02 -0.83 -1.71 0.13 -1.98 -0.31 132.00 132.34 1k83 h PRO 114 Ca -0.53 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 64.81 1k83 h PRO 114 Cb 1.21 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.21 1k83 h PRO 114 CO 0.56 -0.01 0.15 0.37 -0.23 0.00 0.00 178.00 178.84 1k83 h GLN 115 N -0.02 0.17 -0.02 0.86 5.75 -1.89 0.30 115.11 120.26 1k83 h GLN 115 Ca 0.39 -0.01 -0.17 0.00 -0.15 0.00 0.00 58.65 58.71 1k83 h GLN 115 Cb 0.64 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.13 1k83 h GLN 115 CO -0.92 0.12 -0.75 1.49 -2.65 0.00 0.00 178.83 176.11 1k83 h GLU 116 N 0.18 0.16 -0.44 1.69 4.81 -1.46 -2.88 114.58 116.64 1k83 h GLU 116 Ca 0.49 -0.15 -0.08 0.00 -0.13 0.00 0.00 59.36 59.50 1k83 h GLU 116 Cb 0.94 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 1k83 h GLU 116 CO -0.65 0.84 -0.06 0.00 -0.73 0.00 0.00 179.01 178.41 1k83 h ALA 117 N 1.12 1.07 0.55 2.92 0.00 0.56 -0.87 119.26 124.61 1k83 h ALA 117 Ca -0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1k83 h ALA 117 Cb 1.32 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.94 1k83 h ALA 117 CO 0.11 0.58 -0.26 0.00 0.00 0.00 0.00 179.25 179.67 1k83 h ARG 118 N 0.70 -0.71 -0.59 0.00 3.08 -0.93 0.76 114.38 116.70 1k83 h ARG 118 Ca 0.13 0.05 0.12 0.00 0.07 0.00 0.00 59.98 60.35 1k83 h ARG 118 Cb 0.51 0.16 -0.10 0.00 0.08 0.00 0.00 29.97 30.63 1k83 h ARG 118 CO 0.03 -0.47 0.03 -0.07 -1.07 0.00 0.00 179.97 178.41 1k83 h LEU 119 N -0.88 -0.20 -2.89 3.04 3.38 -1.50 -2.44 115.31 113.81 1k83 h LEU 119 Ca -0.08 0.14 -0.20 0.00 0.09 0.00 0.00 57.88 57.83 1k83 h LEU 119 Cb 0.56 0.23 -0.12 0.00 0.09 0.00 0.00 40.66 41.43 1k83 h LEU 119 CO 0.12 -0.08 0.26 -1.14 0.09 0.00 0.00 178.44 177.69 1k83 n ARG 120 N -5.24 2.09 -4.00 1.13 0.63 -0.34 -4.93 116.66 106.01 1k83 n ARG 120 Ca 0.08 -1.66 -0.30 0.00 -0.92 0.00 0.00 57.85 55.05 1k83 n ARG 120 Cb 0.33 -1.72 -0.04 0.00 0.45 0.00 0.00 32.46 31.48 1k83 n ARG 120 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1k83 n ASN 121 N -0.19 -0.80 -3.19 6.15 5.03 -0.92 -4.76 115.26 116.59 1k83 n ASN 121 Ca 0.28 -1.05 -0.10 0.00 0.87 0.00 0.00 54.58 54.57 1k83 n ASN 121 Cb 1.04 -1.29 0.01 0.00 -1.02 0.00 0.00 39.78 38.52 1k83 n ASN 121 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1k83 n LEU 122 N -4.07 0.00 -3.95 3.41 4.77 0.25 -3.98 117.00 113.42 1k83 n LEU 122 Ca -0.20 -1.15 -0.31 0.00 -0.03 0.00 0.00 56.01 54.32 1k83 n LEU 122 Cb 0.52 -0.06 -0.15 0.00 -2.33 0.00 0.00 43.42 41.40 1k83 n LEU 122 CO 0.66 -0.44 -0.41 -0.89 -1.33 0.00 0.00 177.39 174.98 1k83 s THR 123 N -0.96 1.69 -0.88 -5.08 2.01 -1.26 0.67 115.64 111.82 1k83 s THR 123 Ca 0.16 -1.47 -0.26 0.00 0.31 0.00 0.00 61.69 60.43 1k83 s THR 123 Cb -0.01 -2.00 -0.13 0.00 0.01 0.00 0.00 72.50 70.37 1k83 s THR 123 CO 0.10 -0.22 2.23 -0.47 -0.69 0.00 0.00 174.62 175.58 1k83 s TYR 124 N 1.29 1.34 0.21 4.92 5.04 -0.33 -4.85 117.35 124.97 1k83 s TYR 124 Ca -0.02 1.66 0.05 0.00 -2.44 0.00 0.00 57.07 56.31 1k83 s TYR 124 Cb -0.19 -3.58 -0.05 0.00 0.35 0.00 0.00 41.96 38.49 1k83 s TYR 124 CO -0.08 -1.44 -0.06 -1.54 -1.34 0.00 0.00 175.55 171.09 1k83 s SER 125 N 9.63 1.99 0.09 4.32 1.04 -1.26 -0.62 113.70 128.89 1k83 s SER 125 Ca 0.84 -1.13 0.07 0.00 0.48 0.00 0.00 55.95 56.21 1k83 s SER 125 Cb -0.10 -0.03 -0.03 0.00 0.10 0.00 0.00 66.02 65.96 1k83 s SER 125 CO 0.08 -0.40 -0.18 -0.44 0.98 0.00 0.00 173.24 173.28 1k83 s SER 126 N -3.28 2.18 0.49 7.02 0.01 -0.35 -2.32 113.70 117.46 1k83 s SER 126 Ca 0.24 -0.68 -0.20 0.00 1.31 0.00 0.00 55.95 56.62 1k83 s SER 126 Cb 0.04 -0.10 -0.08 0.00 0.21 0.00 0.00 66.02 66.08 1k83 s SER 126 CO 0.06 -0.01 1.05 -0.83 0.41 0.00 0.00 173.24 173.92 1k83 s GLY 127 N -1.92 2.53 -0.19 3.44 0.00 -1.26 -0.08 107.32 109.83 1k83 s GLY 127 Ca 0.04 0.63 -0.04 0.00 0.00 0.00 0.00 44.72 45.35 1k83 s GLY 127 CO 0.03 0.95 -0.03 1.08 0.00 0.00 0.00 173.10 175.14 1k83 s LEU 128 N -3.49 3.13 -0.12 0.66 1.02 0.33 -1.48 118.68 118.73 1k83 s LEU 128 Ca 0.67 -0.24 0.01 0.00 0.02 0.00 0.00 54.13 54.60 1k83 s LEU 128 Cb -0.17 -1.78 0.02 0.00 0.02 0.00 0.00 46.19 44.28 1k83 s LEU 128 CO 0.21 0.08 -0.14 -0.36 0.02 0.00 0.00 176.35 176.15 1k83 s PHE 129 N 0.92 1.97 0.59 0.29 0.40 -0.72 0.36 117.98 121.79 1k83 s PHE 129 Ca 0.00 -1.00 0.09 0.00 -0.60 0.00 0.00 56.93 55.43 1k83 s PHE 129 Cb -0.14 -1.45 0.10 0.00 0.51 0.00 0.00 43.02 42.03 1k83 s PHE 129 CO 0.01 -0.54 0.82 0.28 0.70 0.00 0.00 175.22 176.49 1k83 n VAL 130 N 4.48 0.00 -3.64 -0.44 0.31 -0.72 -0.73 118.33 117.59 1k83 n VAL 130 Ca -0.18 -1.94 -0.29 0.00 -0.01 0.00 0.00 64.34 61.93 1k83 n VAL 130 Cb 0.51 -0.53 -0.12 0.00 -0.91 0.00 0.00 33.84 32.79 1k83 n VAL 130 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1k83 s ASP 131 N -4.65 3.21 0.41 4.52 -1.08 -0.72 -3.80 116.67 114.55 1k83 s ASP 131 Ca 0.62 -2.92 -0.23 0.00 -0.52 0.00 0.00 52.55 49.50 1k83 s ASP 131 Cb -0.05 -0.92 -0.10 0.00 -1.46 0.00 0.00 42.92 40.40 1k83 s ASP 131 CO 0.39 -0.21 1.00 -0.69 0.52 0.00 0.00 175.17 176.18 1k83 s VAL 132 N 0.02 4.00 -0.45 1.11 1.01 -1.25 -0.55 120.40 124.29 1k83 s VAL 132 Ca 0.23 1.43 0.03 0.00 0.00 0.00 0.00 61.98 63.67 1k83 s VAL 132 Cb -0.13 -3.69 0.12 0.00 0.00 0.00 0.00 36.38 32.68 1k83 s VAL 132 CO -0.08 -0.09 0.20 -0.54 0.00 0.00 0.00 175.10 174.58 1k83 s LYS 133 N -2.71 1.66 -0.43 2.72 1.02 -0.26 -4.95 119.74 116.78 1k83 s LYS 133 Ca 0.59 -2.24 -0.29 0.00 0.02 0.00 0.00 55.97 54.05 1k83 s LYS 133 Cb -0.17 -3.03 0.02 0.00 -0.52 0.00 0.00 37.83 34.13 1k83 s LYS 133 CO 0.22 -1.07 1.21 0.15 -0.92 0.00 0.00 175.35 174.93 1k83 s LYS 134 N 0.23 3.74 -0.09 1.68 1.02 -1.26 -3.03 119.74 122.03 1k83 s LYS 134 Ca 0.15 0.75 0.03 0.00 0.02 0.00 0.00 55.97 56.92 1k83 s LYS 134 Cb -0.24 -3.91 0.01 0.00 -0.52 0.00 0.00 37.83 33.17 1k83 s LYS 134 CO -0.03 -1.36 -0.17 1.03 -0.92 0.00 0.00 175.35 173.90 1k83 s ARG 135 N 4.46 2.29 -0.28 1.68 0.52 -1.26 -4.94 118.95 121.43 1k83 s ARG 135 Ca 0.51 -0.61 -0.29 0.00 -0.52 0.00 0.00 55.73 54.83 1k83 s ARG 135 Cb -0.10 -1.85 -0.02 0.00 0.52 0.00 0.00 34.95 33.50 1k83 s ARG 135 CO 0.30 0.04 1.78 0.99 0.02 0.00 0.00 175.30 178.42 1k83 s THR 136 N 0.68 3.50 0.00 0.02 2.01 -1.26 0.28 115.64 120.86 1k83 s THR 136 Ca -0.13 0.53 0.00 0.00 0.31 0.00 0.00 61.69 62.39 1k83 s THR 136 Cb -0.16 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 68.75 1k83 s THR 136 CO 0.03 -0.34 0.00 -1.22 -0.69 0.00 0.00 174.62 172.41 1k83 n TYR 137 N 9.71 0.00 0.00 4.92 4.02 -1.26 -4.81 117.16 129.75 1k83 n TYR 137 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.11 1k83 n TYR 137 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.78 1k83 n TYR 137 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1k83 n LYS 164 N -0.87 0.00 0.00 -0.72 5.02 -1.26 -4.61 118.16 115.72 1k83 n LYS 164 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1k83 n LYS 164 Cb 0.00 -0.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.55 1k83 n LYS 164 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1k83 n VAL 165 N 0.00 0.00 -3.28 -0.18 0.31 -1.25 -3.95 118.33 109.98 1k83 n VAL 165 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.95 1k83 n VAL 165 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 1k83 n VAL 165 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1k83 s PHE 166 N 0.00 3.67 -0.39 3.52 5.36 -1.26 -1.76 117.98 127.12 1k83 s PHE 166 Ca 0.00 1.12 0.10 0.00 -0.96 0.00 0.00 56.93 57.19 1k83 s PHE 166 Cb 0.00 -2.53 0.32 0.00 -0.34 0.00 0.00 43.02 40.47 1k83 s PHE 166 CO 0.00 0.39 0.73 -0.89 -1.46 0.00 0.00 175.22 173.99 1k83 n ILE 167 N 2.63 -0.27 0.00 3.12 5.41 0.16 -4.81 119.36 125.61 1k83 n ILE 167 Ca -0.08 -3.99 0.00 0.00 1.00 0.00 0.00 62.75 59.68 1k83 n ILE 167 Cb 0.51 -0.39 0.00 0.00 -0.71 0.00 0.00 39.64 39.06 1k83 n ILE 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1k83 n GLY 168 N 0.61 0.96 3.38 7.39 0.00 -1.24 -4.70 105.19 111.58 1k83 n GLY 168 Ca 0.21 -1.85 -0.32 0.00 0.00 0.00 0.00 46.02 44.06 1k83 n GLY 168 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k83 s ARG 169 N -2.49 2.72 -0.30 1.61 0.52 -1.26 -0.52 118.95 119.24 1k83 s ARG 169 Ca 0.00 -0.77 -0.07 0.00 -0.52 0.00 0.00 55.73 54.38 1k83 s ARG 169 Cb 0.00 -2.36 0.01 0.00 0.52 0.00 0.00 34.95 33.12 1k83 s ARG 169 CO 0.00 0.45 0.08 -1.17 0.02 0.00 0.00 175.30 174.68 1k83 s LEU 170 N -0.29 3.87 0.27 2.53 2.96 0.88 -4.26 118.68 124.64 1k83 s LEU 170 Ca 0.01 -0.72 -0.30 0.00 -0.22 0.00 0.00 54.13 52.91 1k83 s LEU 170 Cb -0.13 -1.89 -0.11 0.00 0.50 0.00 0.00 46.19 44.57 1k83 s LEU 170 CO 0.03 -0.20 1.57 -2.16 -1.32 0.00 0.00 176.35 174.27 1k83 s PRO 171 N 1.50 4.16 -0.12 0.98 0.04 -1.26 -1.20 135.00 139.10 1k83 s PRO 171 Ca 0.02 2.51 -0.01 0.00 0.04 0.00 0.00 61.00 63.56 1k83 s PRO 171 Cb -0.17 -3.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.29 1k83 s PRO 171 CO 0.03 -0.60 -0.06 0.42 0.04 0.00 0.00 177.00 176.82 1k83 s ILE 172 N 0.20 3.68 0.01 0.56 1.01 0.21 -4.90 121.20 121.97 1k83 s ILE 172 Ca 0.64 -0.45 -0.30 0.00 0.00 0.00 0.00 60.65 60.53 1k83 s ILE 172 Cb -0.46 -2.56 -0.06 0.00 0.01 0.00 0.00 42.46 39.39 1k83 s ILE 172 CO 0.44 0.54 1.43 -0.32 0.00 0.00 0.00 174.94 177.03 1k83 s MET 173 N -0.11 4.27 0.54 2.79 -2.45 -1.26 -4.54 119.30 118.55 1k83 s MET 173 Ca 0.01 2.01 -0.20 0.00 -1.25 0.00 0.00 55.69 56.26 1k83 s MET 173 Cb -0.13 -3.56 -0.08 0.00 1.25 0.00 0.00 34.83 32.31 1k83 s MET 173 CO 0.03 -0.59 0.83 1.28 1.05 0.00 0.00 175.02 177.62 1k83 n LEU 174 N 5.33 2.43 -1.13 4.11 4.32 0.31 -1.94 117.00 130.43 1k83 n LEU 174 Ca 0.13 0.84 -0.14 0.00 -0.02 0.00 0.00 56.01 56.82 1k83 n LEU 174 Cb 0.43 -1.31 -0.06 0.00 -1.62 0.00 0.00 43.42 40.87 1k83 n LEU 174 CO 0.59 -2.17 -0.14 0.54 -1.22 0.00 0.00 177.39 174.99 1k83 n ARG 175 N -0.39 -1.60 -2.69 3.23 1.74 -1.26 -4.48 116.66 111.20 1k83 n ARG 175 Ca 0.12 0.99 -0.25 0.00 -0.77 0.00 0.00 57.85 57.93 1k83 n ARG 175 Cb 0.45 -5.38 0.02 0.00 -1.02 0.00 0.00 32.46 26.53 1k83 n ARG 175 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1k83 s SER 176 N -2.49 5.83 0.32 0.55 1.04 -0.82 -4.66 113.70 113.48 1k83 s SER 176 Ca 0.00 0.59 0.09 0.00 0.48 0.00 0.00 55.95 57.11 1k83 s SER 176 Cb 0.00 -1.76 0.94 0.00 0.10 0.00 0.00 66.02 65.31 1k83 s SER 176 CO 0.00 -0.81 1.61 0.11 0.98 0.00 0.00 173.24 175.13 1k83 h LYS 177 N 0.14 0.12 0.00 4.02 1.57 -1.92 0.22 116.57 120.73 1k83 h LYS 177 Ca -0.46 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.30 1k83 h LYS 177 Cb 1.24 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.52 1k83 h LYS 177 CO 0.60 0.08 -0.07 -0.97 -0.57 0.00 0.00 179.45 178.52 1k83 h ASN 178 N 0.12 0.00 -4.24 0.86 -1.24 -1.92 -3.46 115.58 105.70 1k83 h ASN 178 Ca 0.67 0.00 -0.50 0.00 0.71 0.00 0.00 56.30 57.17 1k83 h ASN 178 Cb 1.52 0.00 0.09 0.00 0.73 0.00 0.00 38.32 40.66 1k83 h ASN 178 CO -0.75 0.07 0.37 0.00 -1.29 0.00 0.00 177.43 175.83 1k83 h TYR 180 N -0.16 0.00 -0.01 0.00 0.99 -1.88 -3.24 116.97 112.67 1k83 h TYR 180 Ca -0.46 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.27 1k83 h TYR 180 Cb 1.23 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.96 1k83 h TYR 180 CO 0.58 0.00 -0.32 1.28 -0.00 0.00 0.00 178.16 179.70 1k83 n LEU 181 N -2.80 1.04 -0.05 3.88 4.77 -1.26 -4.16 117.00 118.41 1k83 n LEU 181 Ca 0.03 -0.27 -0.02 0.00 -0.03 0.00 0.00 56.01 55.71 1k83 n LEU 181 Cb 0.40 -0.13 0.22 0.00 -2.33 0.00 0.00 43.42 41.59 1k83 n LEU 181 CO 0.29 0.20 0.90 0.77 -1.33 0.00 0.00 177.39 178.22 1k83 h SER 182 N 1.14 0.62 -0.02 -1.43 4.64 -1.79 -2.99 113.55 113.72 1k83 h SER 182 Ca 0.00 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1k83 h SER 182 Cb 0.53 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1k83 h SER 182 CO 0.00 0.70 0.00 -0.62 -0.87 0.00 0.00 176.83 176.04 1k83 n GLU 183 N -4.24 1.70 -2.23 4.77 1.02 -1.26 -5.00 120.64 115.40 1k83 n GLU 183 Ca 0.02 -1.66 -0.41 0.00 -0.02 0.00 0.00 57.16 55.09 1k83 n GLU 183 Cb 0.28 -1.37 -0.03 0.00 -0.02 0.00 0.00 31.44 30.30 1k83 n GLU 183 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1k83 s ALA 184 N -1.62 3.49 1.01 0.62 0.00 -1.13 -5.03 121.76 119.08 1k83 s ALA 184 Ca 0.23 1.12 -0.13 0.00 0.00 0.00 0.00 51.96 53.18 1k83 s ALA 184 Cb 0.16 -3.44 0.18 0.00 0.00 0.00 0.00 23.12 20.02 1k83 s ALA 184 CO 0.24 -0.49 1.05 0.25 0.00 0.00 0.00 175.76 176.82 1k83 n THR 185 N 1.50 0.00 -0.06 0.00 -2.24 -1.26 -4.87 114.28 107.35 1k83 n THR 185 Ca 0.02 -0.77 -0.12 0.00 -2.27 0.00 0.00 64.05 60.91 1k83 n THR 185 Cb 0.43 -1.60 -0.06 0.00 -2.10 0.00 0.00 70.33 67.00 1k83 n THR 185 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1k83 h GLU 186 N 0.00 0.32 0.00 -0.78 4.81 -2.00 -2.74 114.58 114.18 1k83 h GLU 186 Ca -0.34 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 58.69 1k83 h GLU 186 Cb 0.95 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 1k83 h GLU 186 CO 0.24 0.56 -0.40 0.66 -0.73 0.00 0.00 179.01 179.34 1k83 h SER 187 N 0.05 0.00 -0.59 1.04 4.64 -1.99 -1.99 113.55 114.70 1k83 h SER 187 Ca 0.05 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1k83 h SER 187 Cb 0.43 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.49 1k83 h SER 187 CO 0.01 0.40 0.39 0.44 -0.87 0.00 0.00 176.83 177.20 1k83 h ASP 188 N 0.00 0.68 0.24 4.97 3.32 -1.88 -1.37 116.42 122.38 1k83 h ASP 188 Ca -0.00 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1k83 h ASP 188 Cb 0.73 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1k83 h ASP 188 CO 0.05 0.50 -0.11 -0.07 -1.72 0.00 0.00 179.24 177.88 1k83 h LEU 189 N 0.80 -0.27 -1.94 1.55 3.38 -1.08 -2.57 115.31 115.19 1k83 h LEU 189 Ca 0.22 -0.26 0.17 0.00 0.09 0.00 0.00 57.88 58.10 1k83 h LEU 189 Cb -0.09 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1k83 h LEU 189 CO -0.05 0.18 0.44 1.88 0.09 0.00 0.00 178.44 180.98 1k83 h TYR 190 N -0.79 0.07 -0.03 1.13 -1.99 -1.08 0.97 116.97 115.25 1k83 h TYR 190 Ca -0.03 0.00 -0.24 0.00 2.00 0.00 0.00 58.73 60.46 1k83 h TYR 190 Cb 0.51 -0.02 0.01 0.00 2.00 0.00 0.00 36.73 39.23 1k83 h TYR 190 CO 0.05 0.03 -0.93 0.87 -0.00 0.00 0.00 178.16 178.17 1k83 h LYS 191 N 0.06 0.57 0.00 4.88 1.57 -1.26 -3.07 116.57 119.33 1k83 h LYS 191 Ca 0.30 -0.58 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1k83 h LYS 191 Cb 1.10 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1k83 h LYS 191 CO -0.02 1.20 0.00 1.28 -0.57 0.00 0.00 179.45 181.33 1k83 n LEU 192 N -3.82 0.00 -3.43 2.94 4.77 0.25 -4.88 117.00 112.83 1k83 n LEU 192 Ca -0.08 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.65 1k83 n LEU 192 Cb 0.83 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.95 1k83 n LEU 192 CO 0.53 0.00 0.06 0.29 -1.33 0.00 0.00 177.39 176.93 1k83 n LYS 193 N -0.64 -5.15 -4.06 3.23 5.02 -0.69 -4.67 118.16 111.19 1k83 n LYS 193 Ca 0.06 0.71 -0.32 0.00 -2.02 0.00 0.00 58.31 56.74 1k83 n LYS 193 Cb 0.03 -5.57 -0.16 0.00 -0.02 0.00 0.00 35.03 29.31 1k83 n LYS 193 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1k83 s GLU 194 N -6.12 2.42 0.11 1.97 0.41 -1.00 -4.86 118.70 111.62 1k83 s GLU 194 Ca 0.47 -1.04 -0.36 0.00 -0.41 0.00 0.00 54.97 53.63 1k83 s GLU 194 Cb -0.23 -2.65 -0.16 0.00 -1.78 0.00 0.00 34.13 29.30 1k83 s GLU 194 CO 0.58 -0.42 1.28 0.00 -0.49 0.00 0.00 175.26 176.21 1k83 n PRO 196 N 2.27 0.12 0.00 0.00 -0.04 -1.26 -1.61 135.00 134.48 1k83 n PRO 196 Ca 0.17 0.50 0.14 0.00 -0.04 0.00 0.00 63.50 64.27 1k83 n PRO 196 Cb 0.20 -1.81 0.54 0.00 -0.04 0.00 0.00 33.50 32.39 1k83 n PRO 196 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1k83 n PHE 197 N -2.06 0.00 -2.17 0.54 3.01 -1.26 -4.88 117.46 110.64 1k83 n PHE 197 Ca 0.01 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 1k83 n PHE 197 Cb 0.12 -0.05 -0.03 0.00 -0.01 0.00 0.00 39.48 39.50 1k83 n PHE 197 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1k83 s ASP 198 N -2.19 6.81 0.11 4.37 -1.08 -0.63 -4.88 116.67 119.18 1k83 s ASP 198 Ca 0.34 2.23 0.17 0.00 -0.52 0.00 0.00 52.55 54.77 1k83 s ASP 198 Cb 0.21 -2.57 -0.09 0.00 -1.46 0.00 0.00 42.92 39.01 1k83 s ASP 198 CO 0.40 -0.72 0.94 0.00 0.52 0.00 0.00 175.17 176.31 1k83 h MET 199 N 7.58 0.00 -6.49 4.34 -0.00 -1.90 -3.50 114.93 114.95 1k83 h MET 199 Ca -0.40 0.00 -0.39 0.00 -0.00 0.00 0.00 59.70 58.91 1k83 h MET 199 Cb 1.19 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.80 1k83 h MET 199 CO 0.89 0.28 -1.03 0.41 -0.00 0.00 0.00 176.91 177.46 1k83 n GLY 200 N 1.34 -0.74 1.63 -3.00 0.00 -1.26 -4.86 105.19 98.30 1k83 n GLY 200 Ca -0.07 0.85 -0.15 0.00 0.00 0.00 0.00 46.02 46.65 1k83 n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k83 n GLY 201 N -1.01 5.37 3.46 -0.02 0.00 -1.26 -4.22 105.19 107.50 1k83 n GLY 201 Ca -0.18 -1.71 -0.27 0.00 0.00 0.00 0.00 46.02 43.85 1k83 n GLY 201 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1k83 n TYR 202 N -1.01 0.42 -4.42 1.61 0.18 -1.26 -4.77 117.16 107.91 1k83 n TYR 202 Ca 0.43 -2.61 -0.24 0.00 1.88 0.00 0.00 57.90 57.36 1k83 n TYR 202 Cb 1.01 -0.09 -0.09 0.00 -0.38 0.00 0.00 39.34 39.78 1k83 n TYR 202 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 1k83 s PHE 203 N -3.03 2.41 -0.33 -3.48 0.40 -0.18 -0.53 117.98 113.24 1k83 s PHE 203 Ca 0.15 -0.30 0.01 0.00 -0.60 0.00 0.00 56.93 56.19 1k83 s PHE 203 Cb 0.01 -1.06 0.08 0.00 0.51 0.00 0.00 43.02 42.56 1k83 s PHE 203 CO 0.11 0.68 0.03 0.42 0.70 0.00 0.00 175.22 177.16 1k83 s ILE 204 N -2.40 2.62 -0.22 0.64 1.01 -1.26 0.13 121.20 121.73 1k83 s ILE 204 Ca 0.30 -1.91 -0.00 0.00 0.00 0.00 0.00 60.65 59.03 1k83 s ILE 204 Cb -0.06 -2.72 0.02 0.00 0.01 0.00 0.00 42.46 39.72 1k83 s ILE 204 CO 0.16 -0.38 -0.13 -0.63 0.00 0.00 0.00 174.94 173.96 1k83 s ILE 205 N 1.07 2.47 -1.64 2.92 1.01 0.09 -1.19 121.20 125.93 1k83 s ILE 205 Ca 0.02 -1.02 -0.03 0.00 0.00 0.00 0.00 60.65 59.63 1k83 s ILE 205 Cb -0.20 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 40.09 1k83 s ILE 205 CO -0.05 0.34 0.36 0.59 0.00 0.00 0.00 174.94 176.18 1k83 n ASN 206 N 4.63 -6.03 0.00 3.58 3.02 0.28 -2.28 115.26 118.46 1k83 n ASN 206 Ca -0.18 -0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.19 1k83 n ASN 206 Cb 0.48 -4.92 0.00 0.00 -0.61 0.00 0.00 39.78 34.73 1k83 n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k83 n GLY 207 N -1.32 3.10 3.89 7.41 0.00 0.21 -4.45 105.19 114.04 1k83 n GLY 207 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 1k83 n GLY 207 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k83 s SER 208 N -0.06 6.46 -0.15 1.61 1.04 -0.97 -4.47 113.70 117.17 1k83 s SER 208 Ca 0.00 0.51 -0.29 0.00 0.48 0.00 0.00 55.95 56.64 1k83 s SER 208 Cb 0.00 -2.07 -0.01 0.00 0.10 0.00 0.00 66.02 64.04 1k83 s SER 208 CO 0.00 0.27 1.11 -1.61 0.98 0.00 0.00 173.24 173.98 1k83 s GLU 209 N -1.74 4.31 -0.05 4.02 2.02 -1.26 -0.74 118.70 125.27 1k83 s GLU 209 Ca 0.26 1.49 0.06 0.00 0.02 0.00 0.00 54.97 56.80 1k83 s GLU 209 Cb -0.13 -3.63 -0.02 0.00 0.10 0.00 0.00 34.13 30.46 1k83 s GLU 209 CO 0.16 -0.53 -0.23 0.15 0.02 0.00 0.00 175.26 174.83 1k83 s LYS 210 N 2.78 2.50 -0.01 1.61 -0.14 0.12 -0.47 119.74 126.13 1k83 s LYS 210 Ca 0.49 -0.87 0.06 0.00 -1.36 0.00 0.00 55.97 54.30 1k83 s LYS 210 Cb -0.19 -2.20 -0.03 0.00 -1.68 0.00 0.00 37.83 33.74 1k83 s LYS 210 CO 0.14 0.44 -0.20 0.08 -0.76 0.00 0.00 175.35 175.05 1k83 s VAL 211 N -0.31 2.57 -0.44 3.17 1.01 0.13 -1.01 120.40 125.52 1k83 s VAL 211 Ca 0.01 -1.02 -0.16 0.00 0.00 0.00 0.00 61.98 60.81 1k83 s VAL 211 Cb -0.13 -1.99 0.04 0.00 0.00 0.00 0.00 36.38 34.31 1k83 s VAL 211 CO 0.02 0.51 0.40 -0.76 0.00 0.00 0.00 175.10 175.27 1k83 s LEU 212 N -0.90 5.21 0.14 3.92 1.43 -1.26 -0.75 118.68 126.48 1k83 s LEU 212 Ca 0.12 -0.99 -0.31 0.00 -1.03 0.00 0.00 54.13 51.92 1k83 s LEU 212 Cb -0.10 -2.25 -0.09 0.00 0.03 0.00 0.00 46.19 43.78 1k83 s LEU 212 CO 0.01 -0.59 1.42 -0.63 0.23 0.00 0.00 176.35 176.79 1k83 s ILE 213 N 1.87 3.11 0.08 -0.59 -1.09 0.04 -4.68 121.20 119.94 1k83 s ILE 213 Ca 0.07 0.81 -0.33 0.00 -2.23 0.00 0.00 60.65 58.98 1k83 s ILE 213 Cb -0.20 -3.52 -0.12 0.00 -1.58 0.00 0.00 42.46 37.03 1k83 s ILE 213 CO 0.10 0.07 1.76 0.00 -1.23 0.00 0.00 174.94 175.64 1k83 n ALA 214 N 3.70 1.57 -2.56 9.38 0.00 -1.12 -4.82 120.51 126.67 1k83 n ALA 214 Ca 0.11 0.35 -0.40 0.00 0.00 0.00 0.00 53.44 53.51 1k83 n ALA 214 Cb 0.41 -2.48 -0.10 0.00 0.00 0.00 0.00 19.45 17.28 1k83 n ALA 214 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1k83 s GLN 215 N 2.40 3.71 -0.05 0.00 -1.52 -0.41 0.04 119.66 123.83 1k83 s GLN 215 Ca 0.83 -0.37 -0.17 0.00 -1.95 0.00 0.00 55.36 53.70 1k83 s GLN 215 Cb -0.61 -3.75 -0.05 0.00 -0.22 0.00 0.00 33.01 28.38 1k83 s GLN 215 CO 0.41 -0.39 0.47 -2.00 -0.25 0.00 0.00 175.29 173.53 1k83 s GLU 216 N 1.90 4.19 0.21 2.91 2.12 0.44 0.59 118.70 131.06 1k83 s GLU 216 Ca 0.10 0.49 -0.09 0.00 0.36 0.00 0.00 54.97 55.83 1k83 s GLU 216 Cb -0.16 -3.34 -0.02 0.00 0.26 0.00 0.00 34.13 30.87 1k83 s GLU 216 CO 0.11 0.40 0.33 -0.98 -0.54 0.00 0.00 175.26 174.58 1k83 s ARG 217 N -0.17 1.36 0.44 4.30 1.70 0.07 -4.38 118.95 122.26 1k83 s ARG 217 Ca 0.26 -1.34 -0.23 0.00 -0.47 0.00 0.00 55.73 53.95 1k83 s ARG 217 Cb -0.16 0.39 -0.08 0.00 -0.57 0.00 0.00 34.95 34.53 1k83 s ARG 217 CO 0.13 -0.52 1.08 -1.12 -1.08 0.00 0.00 175.30 173.79 1k83 s SER 218 N -3.05 6.45 0.88 -2.89 0.01 -1.26 -0.55 113.70 113.29 1k83 s SER 218 Ca 0.26 2.10 -0.11 0.00 1.31 0.00 0.00 55.95 59.50 1k83 s SER 218 Cb 0.02 -2.58 0.12 0.00 0.21 0.00 0.00 66.02 63.79 1k83 s SER 218 CO 0.08 -0.71 1.09 0.00 0.41 0.00 0.00 173.24 174.11 1k83 s ALA 219 N -1.70 1.63 0.39 1.44 0.00 0.08 -4.73 121.76 118.87 1k83 s ALA 219 Ca 0.62 0.01 0.08 0.00 0.00 0.00 0.00 51.96 52.67 1k83 s ALA 219 Cb -0.23 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 1k83 s ALA 219 CO 0.28 -2.29 0.30 0.20 0.00 0.00 0.00 175.76 174.25 1k83 s GLY 220 N -3.38 2.05 -1.12 0.00 0.00 -1.26 -4.72 107.32 98.90 1k83 s GLY 220 Ca 0.63 -1.85 -0.07 0.00 0.00 0.00 0.00 44.72 43.43 1k83 s GLY 220 CO 0.57 -1.70 0.89 0.70 0.00 0.00 0.00 173.10 173.56 1k83 n ASN 221 N -1.42 -5.08 -3.60 1.64 3.02 -1.13 -4.92 115.26 103.77 1k83 n ASN 221 Ca 0.01 -0.75 -0.12 0.00 -0.03 0.00 0.00 54.58 53.68 1k83 n ASN 221 Cb 0.62 -4.81 -0.12 0.00 -0.61 0.00 0.00 39.78 34.86 1k83 n ASN 221 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1k83 s ILE 222 N -3.42 -0.48 0.32 2.41 1.01 -1.26 -4.32 121.20 115.46 1k83 s ILE 222 Ca 0.33 0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.86 1k83 s ILE 222 Cb -0.06 -0.57 -0.10 0.00 0.01 0.00 0.00 42.46 41.74 1k83 s ILE 222 CO 0.76 0.04 1.31 -0.69 0.00 0.00 0.00 174.94 176.36 1k83 s VAL 223 N 2.47 2.75 -0.18 2.92 1.01 -1.26 -4.45 120.40 123.66 1k83 s VAL 223 Ca 0.03 0.74 -0.08 0.00 0.00 0.00 0.00 61.98 62.67 1k83 s VAL 223 Cb -0.13 -3.47 0.07 0.00 0.00 0.00 0.00 36.38 32.85 1k83 s VAL 223 CO -0.11 0.17 0.40 -1.10 0.00 0.00 0.00 175.10 174.46 1k83 s GLN 224 N -1.64 0.34 0.03 2.72 -0.21 -0.42 -4.96 119.66 115.53 1k83 s GLN 224 Ca 0.50 0.89 -0.03 0.00 0.02 0.00 0.00 55.36 56.74 1k83 s GLN 224 Cb -0.40 0.12 -0.04 0.00 1.00 0.00 0.00 33.01 33.69 1k83 s GLN 224 CO 0.52 -0.21 0.23 0.08 -2.12 0.00 0.00 175.29 173.79 1k83 s VAL 225 N 1.98 5.37 -0.03 1.09 1.01 -1.26 0.31 120.40 128.87 1k83 s VAL 225 Ca -0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 1k83 s VAL 225 Cb -0.10 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.71 1k83 s VAL 225 CO -0.12 0.25 0.07 -0.36 0.00 0.00 0.00 175.10 174.94 1k83 s PHE 226 N -1.41 -0.07 1.08 5.22 2.99 0.09 -2.11 117.98 123.76 1k83 s PHE 226 Ca 0.31 0.20 -0.18 0.00 0.00 0.00 0.00 56.93 57.26 1k83 s PHE 226 Cb -0.13 -0.00 0.24 0.00 0.00 0.00 0.00 43.02 43.13 1k83 s PHE 226 CO 0.21 -0.05 1.22 0.15 -0.00 0.00 0.00 175.22 176.76 1k83 s LYS 227 N 0.20 -0.27 -0.01 0.44 -0.14 -1.26 -1.91 119.74 116.78 1k83 s LYS 227 Ca -0.01 -0.26 -0.08 0.00 -1.36 0.00 0.00 55.97 54.26 1k83 s LYS 227 Cb -0.02 -1.73 0.01 0.00 -1.68 0.00 0.00 37.83 34.41 1k83 s LYS 227 CO -0.01 -3.05 0.16 0.15 -0.76 0.00 0.00 175.35 171.85 1k83 s LYS 228 N -5.67 0.47 0.02 1.68 1.02 -1.12 -4.81 119.74 111.33 1k83 s LYS 228 Ca 0.73 -0.31 -0.38 0.00 0.02 0.00 0.00 55.97 56.03 1k83 s LYS 228 Cb -0.06 0.20 -0.20 0.00 -0.52 0.00 0.00 37.83 37.25 1k83 s LYS 228 CO 0.54 -0.11 1.00 0.00 -0.92 0.00 0.00 175.35 175.86 1k83 n ALA 229 N 1.61 -3.56 -0.64 5.17 0.00 -1.26 -4.79 120.51 117.04 1k83 n ALA 229 Ca -0.21 0.58 0.49 0.00 0.00 0.00 0.00 53.44 54.30 1k83 n ALA 229 Cb 0.56 -1.74 0.77 0.00 0.00 0.00 0.00 19.45 19.04 1k83 n ALA 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k83 n ALA 230 N 1.32 1.73 -0.00 0.00 0.00 -1.26 -2.09 120.51 120.20 1k83 n ALA 230 Ca 0.20 0.71 -0.12 0.00 0.00 0.00 0.00 53.44 54.23 1k83 n ALA 230 Cb 0.10 -1.11 -0.10 0.00 0.00 0.00 0.00 19.45 18.35 1k83 n ALA 230 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1k83 h PRO 231 N 0.00 -0.07 -6.56 0.00 0.13 -1.97 -3.47 132.00 120.05 1k83 h PRO 231 Ca 0.92 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 65.46 1k83 h PRO 231 Cb 3.47 0.02 0.12 0.00 0.13 0.00 0.00 31.00 34.74 1k83 h PRO 231 CO -0.15 0.51 0.12 -1.13 -0.23 0.00 0.00 178.00 177.13 1k83 n SER 232 N -4.82 1.16 0.07 1.44 3.41 -0.89 -4.89 113.62 109.11 1k83 n SER 232 Ca -0.08 1.08 0.09 0.00 -0.26 0.00 0.00 58.87 59.69 1k83 n SER 232 Cb 0.31 -1.32 0.38 0.00 -0.26 0.00 0.00 64.21 63.32 1k83 n SER 232 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1k83 n PRO 233 N 0.39 0.09 -3.65 4.33 -0.04 -1.26 -4.57 135.00 130.30 1k83 n PRO 233 Ca 0.09 0.39 -0.37 0.00 -0.04 0.00 0.00 63.50 63.57 1k83 n PRO 233 Cb 0.37 -1.70 -0.10 0.00 -0.04 0.00 0.00 33.50 32.02 1k83 n PRO 233 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1k83 s ILE 234 N -3.19 5.29 -0.12 0.52 1.01 -1.26 0.84 121.20 124.29 1k83 s ILE 234 Ca 0.04 0.16 0.16 0.00 0.00 0.00 0.00 60.65 61.01 1k83 s ILE 234 Cb 0.08 -3.48 -0.12 0.00 0.01 0.00 0.00 42.46 38.95 1k83 s ILE 234 CO 0.28 0.32 0.89 0.77 0.00 0.00 0.00 174.94 177.20 1k83 h SER 235 N 7.81 0.00 -4.91 3.58 4.64 -1.33 -3.43 113.55 119.92 1k83 h SER 235 Ca -0.37 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.85 1k83 h SER 235 Cb 1.18 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.07 1k83 h SER 235 CO 0.62 0.59 -0.16 -1.00 -0.87 0.00 0.00 176.83 176.00 1k83 s HIS 236 N -2.92 -0.31 -0.02 4.77 3.76 -1.23 -2.81 115.29 116.53 1k83 s HIS 236 Ca -0.02 0.54 0.01 0.00 -0.15 0.00 0.00 55.06 55.43 1k83 s HIS 236 Cb 0.09 0.17 0.01 0.00 1.11 0.00 0.00 32.58 33.96 1k83 s HIS 236 CO 0.80 -0.43 -0.02 0.08 -0.85 0.00 0.00 174.74 174.33 1k83 s VAL 237 N -1.17 0.21 -0.24 -0.90 1.01 -0.81 -0.30 120.40 118.20 1k83 s VAL 237 Ca -0.12 -0.03 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 1k83 s VAL 237 Cb -0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 1k83 s VAL 237 CO 0.05 0.11 0.01 0.00 0.00 0.00 0.00 175.10 175.27 1k83 s ALA 238 N 0.47 2.99 0.03 5.51 0.00 -0.17 -0.74 121.76 129.86 1k83 s ALA 238 Ca -0.05 -1.15 0.09 0.00 0.00 0.00 0.00 51.96 50.86 1k83 s ALA 238 Cb -0.07 -1.89 -0.03 0.00 0.00 0.00 0.00 23.12 21.12 1k83 s ALA 238 CO -0.01 -0.46 -0.26 -1.21 0.00 0.00 0.00 175.76 173.82 1k83 s GLU 239 N 1.55 1.86 -0.02 0.00 2.02 0.15 -0.85 118.70 123.42 1k83 s GLU 239 Ca 0.06 -1.07 -0.02 0.00 0.02 0.00 0.00 54.97 53.96 1k83 s GLU 239 Cb -0.15 -1.99 0.01 0.00 0.10 0.00 0.00 34.13 32.10 1k83 s GLU 239 CO 0.00 0.52 0.05 -1.50 0.02 0.00 0.00 175.26 174.35 1k83 s ILE 240 N -0.76 -0.00 -0.68 -1.63 2.07 -0.83 -1.30 121.20 118.06 1k83 s ILE 240 Ca 0.11 0.01 0.05 0.00 -1.41 0.00 0.00 60.65 59.42 1k83 s ILE 240 Cb -0.10 -0.08 0.21 0.00 0.13 0.00 0.00 42.46 42.62 1k83 s ILE 240 CO 0.01 0.00 0.63 -1.14 -1.91 0.00 0.00 174.94 172.54 1k83 n ARG 241 N 3.10 2.21 -2.26 3.50 0.63 -1.26 -0.66 116.66 121.92 1k83 n ARG 241 Ca -0.13 -4.59 -0.41 0.00 -0.92 0.00 0.00 57.85 51.81 1k83 n ARG 241 Cb 0.59 -2.28 -0.03 0.00 0.45 0.00 0.00 32.46 31.20 1k83 n ARG 241 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1k83 s SER 242 N -1.97 6.98 0.09 6.15 1.04 -1.26 -2.83 113.70 121.89 1k83 s SER 242 Ca 0.33 2.50 -0.11 0.00 0.48 0.00 0.00 55.95 59.14 1k83 s SER 242 Cb 0.05 -2.64 0.01 0.00 0.10 0.00 0.00 66.02 63.55 1k83 s SER 242 CO -0.09 -0.38 0.25 0.00 0.98 0.00 0.00 173.24 174.00 1k83 s ALA 243 N -1.01 -0.45 -0.01 5.32 0.00 -1.26 -2.93 121.76 121.41 1k83 s ALA 243 Ca 0.48 -0.39 -0.17 0.00 0.00 0.00 0.00 51.96 51.88 1k83 s ALA 243 Cb -0.36 0.50 -0.06 0.00 0.00 0.00 0.00 23.12 23.21 1k83 s ALA 243 CO 0.47 -0.52 0.47 -0.51 0.00 0.00 0.00 175.76 175.66 1k83 s LEU 244 N -2.71 4.43 0.13 0.00 1.43 -1.26 -4.48 118.68 116.22 1k83 s LEU 244 Ca 0.03 1.00 -0.20 0.00 -1.03 0.00 0.00 54.13 53.93 1k83 s LEU 244 Cb 0.03 -2.69 -0.02 0.00 0.03 0.00 0.00 46.19 43.54 1k83 s LEU 244 CO -0.10 0.22 1.71 -0.33 0.23 0.00 0.00 176.35 178.08 1k83 h GLU 245 N 5.23 0.01 0.00 1.70 5.08 -1.96 -3.39 114.58 121.25 1k83 h GLU 245 Ca -0.48 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1k83 h GLU 245 Cb 1.21 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1k83 h GLU 245 CO 0.66 0.01 0.00 1.63 -1.00 0.00 0.00 179.01 180.31 1k83 n LYS 246 N -5.19 3.93 0.00 2.33 5.02 -1.26 -4.94 118.16 118.05 1k83 n LYS 246 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1k83 n LYS 246 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.14 1k83 n LYS 246 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k83 n GLY 247 N 5.00 2.11 3.27 0.72 0.00 -1.26 -4.14 105.19 110.89 1k83 n GLY 247 Ca 0.00 0.42 -0.32 0.00 0.00 0.00 0.00 46.02 46.12 1k83 n GLY 247 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k83 s SER 248 N -4.00 3.23 -1.36 1.61 1.04 -1.26 -5.02 113.70 107.93 1k83 s SER 248 Ca 0.00 -0.50 -0.12 0.00 0.48 0.00 0.00 55.95 55.81 1k83 s SER 248 Cb 0.00 -1.15 0.11 0.00 0.10 0.00 0.00 66.02 65.07 1k83 s SER 248 CO 0.00 0.21 2.02 0.54 0.98 0.00 0.00 173.24 176.99 1k83 n ARG 249 N 3.21 3.25 -2.30 4.02 1.74 -1.26 -4.43 116.66 120.89 1k83 n ARG 249 Ca -0.18 -3.10 -0.41 0.00 -0.77 0.00 0.00 57.85 53.39 1k83 n ARG 249 Cb 0.52 -3.11 -0.03 0.00 -1.02 0.00 0.00 32.46 28.82 1k83 n ARG 249 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1k83 s PHE 250 N 1.83 2.11 -1.16 -1.55 0.40 -1.26 -4.79 117.98 113.56 1k83 s PHE 250 Ca 0.44 0.51 -0.11 0.00 -0.60 0.00 0.00 56.93 57.16 1k83 s PHE 250 Cb 0.11 -4.33 0.23 0.00 0.51 0.00 0.00 43.02 39.54 1k83 s PHE 250 CO -0.04 -2.14 1.27 -0.89 0.70 0.00 0.00 175.22 174.12 1k83 n ILE 251 N 6.94 4.43 -3.11 0.64 5.41 -1.26 -4.31 119.36 128.11 1k83 n ILE 251 Ca 0.14 -5.09 -0.44 0.00 1.00 0.00 0.00 62.75 58.36 1k83 n ILE 251 Cb 0.50 -2.53 -0.05 0.00 -0.71 0.00 0.00 39.64 36.85 1k83 n ILE 251 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1k83 s SER 252 N 1.98 6.19 0.39 4.38 1.04 -1.15 -4.92 113.70 121.60 1k83 s SER 252 Ca 0.36 -1.32 -0.28 0.00 0.48 0.00 0.00 55.95 55.20 1k83 s SER 252 Cb -0.07 -2.30 -0.11 0.00 0.10 0.00 0.00 66.02 63.64 1k83 s SER 252 CO -0.04 -1.09 1.49 -0.89 0.98 0.00 0.00 173.24 173.69 1k83 s THR 253 N 2.73 2.01 -0.06 2.02 2.01 -1.26 -4.22 115.64 118.87 1k83 s THR 253 Ca 0.13 0.01 0.05 0.00 0.31 0.00 0.00 61.69 62.19 1k83 s THR 253 Cb -0.23 -3.01 -0.02 0.00 0.01 0.00 0.00 72.50 69.26 1k83 s THR 253 CO 0.07 0.00 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.59 1k83 s LEU 254 N -2.20 2.37 -0.08 4.42 2.96 0.16 -4.73 118.68 121.59 1k83 s LEU 254 Ca 0.54 -0.38 0.00 0.00 -0.22 0.00 0.00 54.13 54.07 1k83 s LEU 254 Cb -0.47 -1.46 0.02 0.00 0.50 0.00 0.00 46.19 44.79 1k83 s LEU 254 CO 0.63 0.27 -0.06 -1.10 -1.32 0.00 0.00 176.35 174.78 1k83 s GLN 255 N -0.32 1.16 -0.39 1.98 -0.21 -1.25 -1.97 119.66 118.65 1k83 s GLN 255 Ca 0.02 -0.16 -0.07 0.00 0.02 0.00 0.00 55.36 55.17 1k83 s GLN 255 Cb -0.13 -1.22 0.07 0.00 1.00 0.00 0.00 33.01 32.74 1k83 s GLN 255 CO 0.02 -0.18 0.20 0.08 -2.12 0.00 0.00 175.29 173.30 1k83 s VAL 256 N 1.39 3.91 -0.08 1.09 1.01 -0.03 -0.66 120.40 127.04 1k83 s VAL 256 Ca -0.03 -1.45 -0.08 0.00 0.00 0.00 0.00 61.98 60.43 1k83 s VAL 256 Cb -0.13 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1k83 s VAL 256 CO -0.03 -0.44 0.20 -0.54 0.00 0.00 0.00 175.10 174.28 1k83 s LYS 257 N 1.36 3.52 -0.63 2.72 1.02 -0.30 -0.99 119.74 126.45 1k83 s LYS 257 Ca 0.02 -0.07 -0.09 0.00 0.02 0.00 0.00 55.97 55.85 1k83 s LYS 257 Cb -0.22 -3.17 0.16 0.00 -0.52 0.00 0.00 37.83 34.08 1k83 s LYS 257 CO 0.01 0.74 0.51 -1.17 -0.92 0.00 0.00 175.35 174.52 1k83 s LEU 258 N -1.21 5.92 0.42 3.17 2.96 0.58 -1.75 118.68 128.77 1k83 s LEU 258 Ca 0.19 -2.41 -0.25 0.00 -0.22 0.00 0.00 54.13 51.44 1k83 s LEU 258 Cb -0.13 -2.04 -0.08 0.00 0.50 0.00 0.00 46.19 44.44 1k83 s LEU 258 CO 0.08 -0.57 1.26 -0.31 -1.32 0.00 0.00 176.35 175.49 1k83 s TYR 259 N 0.61 2.82 0.00 5.38 1.51 0.48 -1.35 117.35 126.80 1k83 s TYR 259 Ca 0.12 1.45 0.00 0.00 -1.01 0.00 0.00 57.07 57.63 1k83 s TYR 259 Cb -0.20 -3.59 0.00 0.00 -0.11 0.00 0.00 41.96 38.06 1k83 s TYR 259 CO -0.04 -1.94 0.00 0.41 -1.11 0.00 0.00 175.55 172.87 1k83 n GLY 260 N 0.64 -0.58 3.97 0.71 0.00 0.25 -2.84 105.19 107.34 1k83 n GLY 260 Ca 0.05 -1.32 -0.21 0.00 0.00 0.00 0.00 46.02 44.53 1k83 n GLY 260 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k83 s ARG 261 N -5.30 2.66 -0.13 1.61 0.52 -1.26 -3.92 118.95 113.12 1k83 s ARG 261 Ca 0.00 -0.73 -0.34 0.00 -0.52 0.00 0.00 55.73 54.14 1k83 s ARG 261 Cb 0.00 -2.51 -0.11 0.00 0.52 0.00 0.00 34.95 32.85 1k83 s ARG 261 CO 0.00 -0.61 1.93 0.39 0.02 0.00 0.00 175.30 177.03 1k83 n GLU 262 N -2.28 2.03 -0.01 3.54 1.02 -1.26 -0.97 120.64 122.71 1k83 n GLU 262 Ca 0.06 0.72 0.00 0.00 -0.02 0.00 0.00 57.16 57.93 1k83 n GLU 262 Cb 0.59 -2.65 0.00 0.00 -0.02 0.00 0.00 31.44 29.36 1k83 n GLU 262 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k83 n GLY 263 N 4.70 0.85 3.95 0.62 0.00 -1.26 -5.09 105.19 108.97 1k83 n GLY 263 Ca 0.25 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.04 1k83 n GLY 263 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k83 s SER 264 N -2.29 5.85 0.39 1.61 1.04 -0.15 -5.06 113.70 115.09 1k83 s SER 264 Ca 0.00 0.27 -0.24 0.00 0.48 0.00 0.00 55.95 56.46 1k83 s SER 264 Cb 0.00 -1.53 -0.10 0.00 0.10 0.00 0.00 66.02 64.49 1k83 s SER 264 CO 0.00 -0.68 0.99 -0.94 0.98 0.00 0.00 173.24 173.59 1k83 s SER 265 N -4.21 6.97 -0.10 7.02 1.04 -1.26 -4.52 113.70 118.64 1k83 s SER 265 Ca 0.48 1.87 -0.09 0.00 0.48 0.00 0.00 55.95 58.69 1k83 s SER 265 Cb -0.10 -2.57 0.01 0.00 0.10 0.00 0.00 66.02 63.47 1k83 s SER 265 CO 0.38 -0.33 0.15 0.00 0.98 0.00 0.00 173.24 174.41 1k83 n ALA 266 N -0.08 -1.46 -2.32 5.32 0.00 -1.26 -4.77 120.51 115.93 1k83 n ALA 266 Ca 0.05 0.07 -0.42 0.00 0.00 0.00 0.00 53.44 53.14 1k83 n ALA 266 Cb 0.51 -0.58 -0.02 0.00 0.00 0.00 0.00 19.45 19.36 1k83 n ALA 266 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1k83 s ARG 267 N -0.72 3.45 0.25 0.00 0.52 -1.26 -4.90 118.95 116.29 1k83 s ARG 267 Ca 0.09 0.83 -0.05 0.00 -0.52 0.00 0.00 55.73 56.07 1k83 s ARG 267 Cb -0.01 -4.08 -0.05 0.00 0.52 0.00 0.00 34.95 31.33 1k83 s ARG 267 CO 0.20 -1.73 0.52 0.99 0.02 0.00 0.00 175.30 175.29 1k83 s THR 268 N 5.84 5.04 -0.16 0.02 2.01 -1.13 -4.74 115.64 122.52 1k83 s THR 268 Ca 0.60 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.70 1k83 s THR 268 Cb -0.13 -3.70 -0.00 0.00 0.01 0.00 0.00 72.50 68.68 1k83 s THR 268 CO 0.30 -0.22 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.23 1k83 s ILE 269 N -1.97 2.66 0.01 1.82 1.01 -1.26 -0.39 121.20 123.09 1k83 s ILE 269 Ca 0.44 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 60.36 1k83 s ILE 269 Cb -0.11 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.22 1k83 s ILE 269 CO 0.28 0.51 -0.13 -0.54 0.00 0.00 0.00 174.94 175.06 1k83 s LYS 270 N 0.87 0.92 0.31 2.79 1.02 -0.72 -2.44 119.74 122.49 1k83 s LYS 270 Ca -0.04 -0.58 0.06 0.00 0.02 0.00 0.00 55.97 55.43 1k83 s LYS 270 Cb -0.15 -0.90 -0.02 0.00 -0.52 0.00 0.00 37.83 36.24 1k83 s LYS 270 CO -0.01 0.23 0.41 0.00 -0.92 0.00 0.00 175.35 175.06 1k83 s ALA 271 N -0.57 4.09 -0.31 5.17 0.00 0.31 -1.15 121.76 129.29 1k83 s ALA 271 Ca 0.03 -1.44 0.04 0.00 0.00 0.00 0.00 51.96 50.59 1k83 s ALA 271 Cb -0.06 -1.60 0.09 0.00 0.00 0.00 0.00 23.12 21.55 1k83 s ALA 271 CO 0.00 0.05 -0.00 0.99 0.00 0.00 0.00 175.76 176.80 1k83 s THR 272 N -2.15 2.25 0.36 0.00 2.01 0.16 -1.13 115.64 117.14 1k83 s THR 272 Ca 0.41 -2.11 -0.05 0.00 0.31 0.00 0.00 61.69 60.25 1k83 s THR 272 Cb -0.09 -2.56 -0.05 0.00 0.01 0.00 0.00 72.50 69.82 1k83 s THR 272 CO 0.30 -0.41 0.63 -0.76 -0.69 0.00 0.00 174.62 173.69 1k83 s LEU 273 N 0.97 3.93 0.33 4.42 1.43 -1.26 -3.78 118.68 124.71 1k83 s LEU 273 Ca 0.04 0.79 -0.26 0.00 -1.03 0.00 0.00 54.13 53.67 1k83 s LEU 273 Cb -0.19 -3.65 -0.10 0.00 0.03 0.00 0.00 46.19 42.28 1k83 s LEU 273 CO -0.07 -0.32 0.96 -2.16 0.23 0.00 0.00 176.35 174.99 1k83 s PRO 274 N -3.95 4.55 0.00 1.29 0.04 -1.26 -3.56 135.00 132.11 1k83 s PRO 274 Ca 0.45 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1k83 s PRO 274 Cb -0.10 -2.80 0.00 0.00 0.04 0.00 0.00 34.50 31.63 1k83 s PRO 274 CO 0.34 0.24 0.00 0.66 0.04 0.00 0.00 177.00 178.28 1k83 n TYR 275 N 0.55 0.00 -3.93 0.56 4.02 -1.26 -4.98 117.16 112.12 1k83 n TYR 275 Ca 0.02 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.56 1k83 n TYR 275 Cb 0.50 -0.64 -0.14 0.00 -0.02 0.00 0.00 39.34 39.03 1k83 n TYR 275 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1k83 s ILE 276 N -2.25 3.22 0.00 -0.72 1.01 -1.23 -4.58 121.20 116.65 1k83 s ILE 276 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.07 1k83 s ILE 276 Cb 0.00 -2.47 0.00 0.00 0.01 0.00 0.00 42.46 40.00 1k83 s ILE 276 CO 0.00 0.41 1.05 0.29 0.00 0.00 0.00 174.94 176.69 1k83 n LYS 277 N 4.77 0.87 -3.64 2.79 4.01 0.34 -4.75 118.16 122.55 1k83 n LYS 277 Ca -0.18 0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 57.52 1k83 n LYS 277 Cb 0.50 -1.07 -0.07 0.00 -0.51 0.00 0.00 35.03 33.89 1k83 n LYS 277 CO 0.00 0.00 0.00 -1.14 -1.11 0.00 0.00 177.40 175.15 1k83 s GLN 278 N 0.16 0.53 0.14 1.97 0.74 -1.26 -5.06 119.66 116.88 1k83 s GLN 278 Ca 0.00 0.63 -0.31 0.00 0.05 0.00 0.00 55.36 55.73 1k83 s GLN 278 Cb 0.00 0.26 -0.08 0.00 1.10 0.00 0.00 33.01 34.29 1k83 s GLN 278 CO 0.00 -0.07 1.31 -0.51 -0.55 0.00 0.00 175.29 175.48 1k83 s ASP 279 N 0.23 6.92 -0.21 6.67 1.01 -1.26 -4.75 116.67 125.27 1k83 s ASP 279 Ca 0.03 2.29 -0.07 0.00 0.71 0.00 0.00 52.55 55.50 1k83 s ASP 279 Cb -0.05 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 1k83 s ASP 279 CO -0.05 -0.55 0.07 -0.63 0.21 0.00 0.00 175.17 174.21 1k83 s ILE 280 N 0.67 4.63 0.19 0.77 1.01 -0.29 -4.83 121.20 123.35 1k83 s ILE 280 Ca 0.60 -0.08 -0.32 0.00 0.00 0.00 0.00 60.65 60.84 1k83 s ILE 280 Cb -0.35 -3.12 -0.15 0.00 0.01 0.00 0.00 42.46 38.86 1k83 s ILE 280 CO 0.33 0.41 1.27 -2.65 0.00 0.00 0.00 174.94 174.30 1k83 n PRO 281 N 4.07 1.49 0.02 2.79 -0.01 -1.26 -0.53 135.00 141.57 1k83 n PRO 281 Ca -0.16 0.53 0.13 0.00 -0.01 0.00 0.00 63.50 63.98 1k83 n PRO 281 Cb 0.52 -2.10 0.58 0.00 -0.01 0.00 0.00 33.50 32.49 1k83 n PRO 281 CO 0.00 0.00 0.00 -0.84 -0.01 0.00 0.00 175.50 174.65 1k83 h ILE 282 N 2.85 0.89 -0.65 4.25 3.07 -1.83 -1.56 117.51 124.54 1k83 h ILE 282 Ca -0.44 -0.08 -0.02 0.00 1.55 0.00 0.00 64.86 65.87 1k83 h ILE 282 Cb 1.32 0.65 -0.03 0.00 -0.27 0.00 0.00 36.82 38.49 1k83 h ILE 282 CO 0.73 0.04 0.31 0.58 -1.05 0.00 0.00 178.15 178.76 1k83 h VAL 283 N 0.22 1.22 -0.34 0.16 2.07 -1.86 -1.35 116.25 116.38 1k83 h VAL 283 Ca 0.20 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1k83 h VAL 283 Cb 0.50 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1k83 h VAL 283 CO -0.04 0.25 0.19 0.40 0.02 0.00 0.00 177.57 178.40 1k83 h ILE 284 N 0.89 1.11 -0.15 4.57 2.04 -1.59 -1.64 117.51 122.74 1k83 h ILE 284 Ca 0.22 -0.27 -0.07 0.00 1.00 0.00 0.00 64.86 65.74 1k83 h ILE 284 Cb 0.11 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1k83 h ILE 284 CO -0.03 0.12 -0.19 0.40 0.00 0.00 0.00 178.15 178.44 1k83 h ILE 285 N 0.46 1.35 -0.50 -0.67 2.04 -1.17 -0.87 117.51 118.16 1k83 h ILE 285 Ca 0.12 -1.40 0.05 0.00 1.00 0.00 0.00 64.86 64.63 1k83 h ILE 285 Cb 0.01 1.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.97 1k83 h ILE 285 CO -0.02 0.41 0.23 -0.26 0.00 0.00 0.00 178.15 178.51 1k83 h PHE 286 N 0.01 0.41 -0.20 1.37 -1.00 -0.97 0.29 116.94 116.86 1k83 h PHE 286 Ca 0.02 0.02 -0.06 0.00 2.81 0.00 0.00 57.97 60.76 1k83 h PHE 286 Cb 0.75 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 40.19 1k83 h PHE 286 CO 0.09 0.18 -0.13 0.00 -1.61 0.00 0.00 178.31 176.84 1k83 h ARG 287 N 0.44 0.32 0.00 1.51 3.08 -1.03 -0.32 114.38 118.38 1k83 h ARG 287 Ca 0.23 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 1k83 h ARG 287 Cb 0.18 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1k83 h ARG 287 CO -0.19 0.46 -0.19 0.00 -1.07 0.00 0.00 179.97 178.98 1k83 h ALA 288 N 1.57 1.35 -0.11 0.04 0.00 0.46 -1.41 119.26 121.16 1k83 h ALA 288 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1k83 h ALA 288 Cb 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1k83 h ALA 288 CO 0.02 0.24 0.00 1.28 0.00 0.00 0.00 179.25 180.80 1k83 n LEU 289 N -3.83 1.65 0.00 0.00 4.77 -0.12 -4.81 117.00 114.66 1k83 n LEU 289 Ca -0.02 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 1k83 n LEU 289 Cb 0.29 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1k83 n LEU 289 CO 0.33 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1k83 n GLY 290 N 1.16 0.22 3.38 -0.72 0.00 -0.53 -4.68 105.19 104.01 1k83 n GLY 290 Ca 0.17 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.75 1k83 n GLY 290 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k83 s ILE 291 N -2.00 4.99 -0.21 -0.61 1.01 -0.62 -4.95 121.20 118.81 1k83 s ILE 291 Ca 0.00 -1.01 -0.20 0.00 0.00 0.00 0.00 60.65 59.44 1k83 s ILE 291 Cb 0.00 -4.35 -0.18 0.00 0.01 0.00 0.00 42.46 37.95 1k83 s ILE 291 CO 0.00 -0.90 0.13 -0.38 0.00 0.00 0.00 174.94 173.79 1k83 n ILE 292 N 5.44 1.53 -2.46 2.92 2.08 -1.26 -2.57 119.36 125.02 1k83 n ILE 292 Ca -0.10 -0.06 -0.41 0.00 0.56 0.00 0.00 62.75 62.74 1k83 n ILE 292 Cb 0.43 -2.04 -0.04 0.00 -0.75 0.00 0.00 39.64 37.24 1k83 n ILE 292 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1k83 s PRO 293 N -2.38 4.60 0.16 0.38 0.04 -1.26 -4.91 135.00 131.63 1k83 s PRO 293 Ca -0.29 1.79 -0.31 0.00 0.04 0.00 0.00 61.00 62.23 1k83 s PRO 293 Cb 0.07 -3.23 -0.07 0.00 0.04 0.00 0.00 34.50 31.31 1k83 s PRO 293 CO 0.56 0.11 1.54 -0.44 0.04 0.00 0.00 177.00 178.81 1k83 h ASP 294 N 4.49 -2.12 -0.87 6.66 3.45 -2.00 0.82 116.42 126.86 1k83 h ASP 294 Ca -0.46 0.32 0.23 0.00 0.43 0.00 0.00 57.03 57.55 1k83 h ASP 294 Cb 1.21 0.93 -0.14 0.00 -0.56 0.00 0.00 39.33 40.77 1k83 h ASP 294 CO 0.70 -0.25 0.21 1.23 -1.57 0.00 0.00 179.24 179.56 1k83 h GLY 295 N -0.04 1.31 1.44 2.75 0.00 -1.99 0.89 103.07 107.42 1k83 h GLY 295 Ca 0.15 -0.01 -0.13 0.00 0.00 0.00 0.00 47.33 47.34 1k83 h GLY 295 CO -0.90 -0.36 -0.35 0.83 0.00 0.00 0.00 176.54 175.76 1k83 h GLU 296 N 0.19 0.62 -0.19 4.80 5.08 -1.26 -2.37 114.58 121.45 1k83 h GLU 296 Ca 0.54 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.54 1k83 h GLU 296 Cb 1.08 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 1k83 h GLU 296 CO -0.66 0.88 -0.12 0.82 -1.00 0.00 0.00 179.01 178.93 1k83 h ILE 297 N 0.52 1.32 0.00 3.13 2.04 0.05 -2.99 117.51 121.57 1k83 h ILE 297 Ca 0.05 -1.20 -0.06 0.00 1.00 0.00 0.00 64.86 64.65 1k83 h ILE 297 Cb 0.85 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 1k83 h ILE 297 CO 0.07 0.36 -0.30 -0.07 0.00 0.00 0.00 178.15 178.22 1k83 h LEU 298 N 0.10 0.00 -1.99 1.44 3.38 -1.19 -1.98 115.31 115.07 1k83 h LEU 298 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1k83 h LEU 298 Cb 0.62 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1k83 h LEU 298 CO 0.03 0.30 -0.10 -0.08 0.09 0.00 0.00 178.44 178.68 1k83 h GLU 299 N 0.00 0.00 0.00 1.13 4.81 -1.28 0.25 114.58 119.49 1k83 h GLU 299 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1k83 h GLU 299 Cb 0.53 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1k83 h GLU 299 CO 0.04 0.10 -0.54 0.45 -0.73 0.00 0.00 179.01 178.33 1k83 h HIS 300 N 0.00 0.00 0.00 0.92 3.86 -1.29 -3.40 115.15 115.24 1k83 h HIS 300 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1k83 h HIS 300 Cb 0.30 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.77 1k83 h HIS 300 CO 0.00 0.00 -0.39 -0.89 0.86 0.00 0.00 177.93 177.51 1k83 n ILE 301 N -2.75 0.80 -3.26 2.45 5.41 -0.55 -4.08 119.36 117.38 1k83 n ILE 301 Ca 0.02 0.33 -0.41 0.00 1.00 0.00 0.00 62.75 63.69 1k83 n ILE 301 Cb 0.52 -1.98 -0.08 0.00 -0.71 0.00 0.00 39.64 37.39 1k83 n ILE 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1k83 n TYR 303 N 5.70 1.31 -3.71 0.00 4.02 -1.26 -4.40 117.16 118.82 1k83 n TYR 303 Ca -0.05 -0.47 -0.25 0.00 -0.01 0.00 0.00 57.90 57.12 1k83 n TYR 303 Cb 0.49 -0.34 -0.17 0.00 -0.02 0.00 0.00 39.34 39.30 1k83 n TYR 303 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1k83 s ASP 304 N -0.57 2.31 0.00 7.72 -1.08 -1.26 -4.72 116.67 119.07 1k83 s ASP 304 Ca 0.36 -0.52 0.08 0.00 -0.52 0.00 0.00 52.55 51.95 1k83 s ASP 304 Cb 0.27 -0.44 0.35 0.00 -1.46 0.00 0.00 42.92 41.63 1k83 s ASP 304 CO 0.12 -0.28 1.20 0.52 0.52 0.00 0.00 175.17 177.25 1k83 n VAL 305 N 5.14 1.27 0.57 1.11 0.31 -1.26 -2.01 118.33 123.46 1k83 n VAL 305 Ca -0.08 0.32 0.11 0.00 -0.01 0.00 0.00 64.34 64.68 1k83 n VAL 305 Cb 0.48 -1.19 -0.04 0.00 -0.91 0.00 0.00 33.84 32.18 1k83 n VAL 305 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1k83 n ASN 306 N -1.43 0.59 -3.45 4.52 3.02 -1.26 -4.67 115.26 112.59 1k83 n ASN 306 Ca 0.02 -0.36 -0.38 0.00 -0.03 0.00 0.00 54.58 53.83 1k83 n ASN 306 Cb 0.08 1.05 -0.02 0.00 -0.61 0.00 0.00 39.78 40.28 1k83 n ASN 306 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1k83 n ASP 307 N -1.90 5.98 -0.08 6.41 -0.08 -0.85 -4.72 116.55 121.32 1k83 n ASP 307 Ca 0.01 -2.63 0.25 0.00 -1.51 0.00 0.00 54.79 50.92 1k83 n ASP 307 Cb 0.43 -1.47 0.72 0.00 2.34 0.00 0.00 41.12 43.14 1k83 n ASP 307 CO 0.00 0.00 0.00 4.11 0.12 0.00 0.00 177.20 181.43 1k83 h TRP 308 N 5.82 0.00 -0.22 -0.67 5.08 -1.86 -1.29 115.95 122.81 1k83 h TRP 308 Ca 0.67 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 60.59 1k83 h TRP 308 Cb 0.42 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.57 1k83 h TRP 308 CO 1.70 0.00 -0.09 1.96 -1.28 0.00 0.00 178.44 180.73 1k83 h GLN 309 N 0.00 0.45 0.06 0.12 4.20 -1.99 0.41 115.11 118.36 1k83 h GLN 309 Ca 0.34 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 1k83 h GLN 309 Cb 1.54 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.31 1k83 h GLN 309 CO -0.00 0.72 -0.03 1.98 -0.67 0.00 0.00 178.83 180.82 1k83 h MET 310 N 0.16 -0.08 -0.93 1.46 4.05 -1.67 -1.91 114.93 116.01 1k83 h MET 310 Ca 0.05 0.01 0.21 0.00 -0.28 0.00 0.00 59.70 59.69 1k83 h MET 310 Cb 0.57 0.02 -0.07 0.00 -0.80 0.00 0.00 31.60 31.32 1k83 h MET 310 CO 0.03 0.26 0.61 -0.07 0.23 0.00 0.00 176.91 177.97 1k83 h LEU 311 N -0.42 0.42 -0.72 3.39 3.38 -1.33 0.30 115.31 120.32 1k83 h LEU 311 Ca -0.01 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 1k83 h LEU 311 Cb 0.37 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1k83 h LEU 311 CO 0.01 0.15 -0.42 -0.08 0.09 0.00 0.00 178.44 178.19 1k83 h GLU 312 N 0.41 0.47 0.00 1.13 4.57 -0.65 -2.71 114.58 117.80 1k83 h GLU 312 Ca 0.49 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 58.42 1k83 h GLU 312 Cb 1.23 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1k83 h GLU 312 CO -0.20 0.82 -0.04 0.52 -1.18 0.00 0.00 179.01 178.93 1k83 h MET 313 N 0.39 0.00 0.00 1.92 2.86 0.40 -2.86 114.93 117.64 1k83 h MET 313 Ca 0.03 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.61 1k83 h MET 313 Cb 0.91 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.56 1k83 h MET 313 CO 0.08 0.04 -1.37 1.28 1.06 0.00 0.00 176.91 178.00 1k83 n LEU 314 N -3.24 0.65 -0.33 1.22 4.77 -1.04 -4.35 117.00 114.67 1k83 n LEU 314 Ca -0.01 0.26 0.12 0.00 -0.03 0.00 0.00 56.01 56.35 1k83 n LEU 314 Cb 0.22 0.01 0.24 0.00 -2.33 0.00 0.00 43.42 41.57 1k83 n LEU 314 CO 0.26 -0.04 0.78 0.50 -1.33 0.00 0.00 177.39 177.56 1k83 h LYS 315 N 0.00 0.02 0.00 3.23 3.64 -1.33 1.40 116.57 123.53 1k83 h LYS 315 Ca -0.07 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1k83 h LYS 315 Cb 1.21 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1k83 h LYS 315 CO 0.01 0.01 0.00 -1.00 -2.27 0.00 0.00 179.45 176.21 1k83 h PRO 316 N 0.02 0.00 -0.03 1.90 0.13 -1.78 -2.56 132.00 129.68 1k83 h PRO 316 Ca 0.55 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.55 1k83 h PRO 316 Cb 1.07 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.21 1k83 h PRO 316 CO -0.91 0.00 -0.51 0.00 -0.23 0.00 0.00 178.00 176.35 1k83 h VAL 318 N -0.10 0.56 -0.95 0.00 2.07 -1.03 -2.07 116.25 114.73 1k83 h VAL 318 Ca -0.06 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.59 1k83 h VAL 318 Cb 1.21 0.56 -0.08 0.00 -1.52 0.00 0.00 31.29 31.46 1k83 h VAL 318 CO 0.10 0.00 0.60 -0.33 0.02 0.00 0.00 177.57 177.96 1k83 h GLU 319 N -0.48 0.83 0.00 1.57 5.08 -1.53 -0.33 114.58 119.73 1k83 h GLU 319 Ca -0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1k83 h GLU 319 Cb 0.42 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1k83 h GLU 319 CO -0.02 0.55 0.00 0.22 -1.00 0.00 0.00 179.01 178.76 1k83 h ASP 320 N 0.85 0.00 -0.04 1.42 3.58 -0.63 -2.73 116.42 118.87 1k83 h ASP 320 Ca 0.47 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.92 1k83 h ASP 320 Cb 0.59 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.64 1k83 h ASP 320 CO -0.24 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.73 1k83 n GLY 321 N -0.47 4.01 0.05 -0.78 0.00 -0.17 -4.82 105.19 103.02 1k83 n GLY 321 Ca -0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 46.02 45.33 1k83 n GLY 321 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1k83 h PHE 322 N 0.26 -0.17 -0.47 1.61 3.57 -1.13 -2.78 116.94 117.83 1k83 h PHE 322 Ca 0.00 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.66 1k83 h PHE 322 Cb 0.84 0.07 -0.09 0.00 2.79 0.00 0.00 35.95 39.56 1k83 h PHE 322 CO 0.05 -0.07 0.12 0.28 -2.23 0.00 0.00 178.31 176.46 1k83 n VAL 323 N -2.77 -0.20 -2.96 1.41 0.31 -1.26 -3.81 118.33 109.05 1k83 n VAL 323 Ca -0.01 0.99 -0.43 0.00 -0.01 0.00 0.00 64.34 64.88 1k83 n VAL 323 Cb 0.05 -1.52 -0.05 0.00 -0.91 0.00 0.00 33.84 31.41 1k83 n VAL 323 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1k83 s ILE 324 N -5.03 4.64 -0.60 2.52 1.01 -1.05 -4.90 121.20 117.79 1k83 s ILE 324 Ca -0.05 0.46 0.10 0.00 0.00 0.00 0.00 60.65 61.16 1k83 s ILE 324 Cb 0.15 -4.32 0.29 0.00 0.01 0.00 0.00 42.46 38.58 1k83 s ILE 324 CO 0.36 -0.71 1.23 1.67 0.00 0.00 0.00 174.94 177.50 1k83 n GLN 325 N 6.72 2.84 -3.54 2.79 -0.06 -1.25 -4.96 117.38 119.93 1k83 n GLN 325 Ca 0.02 -2.10 -0.11 0.00 -2.00 0.00 0.00 57.00 52.81 1k83 n GLN 325 Cb 0.48 -1.33 -0.02 0.00 -4.06 0.00 0.00 30.24 25.32 1k83 n GLN 325 CO 0.00 0.00 0.00 0.16 -0.20 0.00 0.00 177.06 177.02 1k83 s ASP 326 N -1.23 -0.49 0.23 1.69 3.84 -1.26 -5.01 116.67 114.43 1k83 s ASP 326 Ca 0.22 -0.16 -0.07 0.00 -0.00 0.00 0.00 52.55 52.54 1k83 s ASP 326 Cb 0.14 0.63 0.29 0.00 -1.38 0.00 0.00 42.92 42.61 1k83 s ASP 326 CO 0.11 -1.06 1.82 -0.09 -0.00 0.00 0.00 175.17 175.95 1k83 h ARG 327 N 2.01 0.78 -0.36 2.11 2.43 -1.94 -0.54 114.38 118.86 1k83 h ARG 327 Ca -0.30 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 58.78 1k83 h ARG 327 Cb 1.29 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 1k83 h ARG 327 CO 0.34 0.51 0.05 0.93 -1.51 0.00 0.00 179.97 180.30 1k83 h GLU 328 N 0.80 0.61 -0.06 0.20 5.08 -1.94 0.57 114.58 119.84 1k83 h GLU 328 Ca 0.34 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.46 1k83 h GLU 328 Cb 0.20 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1k83 h GLU 328 CO -0.19 0.69 -0.30 1.15 -1.00 0.00 0.00 179.01 179.35 1k83 h THR 329 N 0.45 1.24 0.13 1.13 2.02 -1.93 -0.43 112.91 115.51 1k83 h THR 329 Ca 0.11 -1.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.14 1k83 h THR 329 Cb 0.38 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1k83 h THR 329 CO 0.01 0.34 -0.06 0.00 0.37 0.00 0.00 175.52 176.17 1k83 h ALA 330 N 1.60 -0.17 -0.66 6.16 0.00 -0.69 -1.76 119.26 123.74 1k83 h ALA 330 Ca 0.01 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1k83 h ALA 330 Cb 0.59 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1k83 h ALA 330 CO 0.04 -0.41 0.41 -0.07 0.00 0.00 0.00 179.25 179.23 1k83 h LEU 331 N -0.55 0.68 -0.99 0.00 3.38 -0.63 -2.04 115.31 115.15 1k83 h LEU 331 Ca -0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1k83 h LEU 331 Cb 0.43 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 1k83 h LEU 331 CO 0.03 0.47 0.64 -0.78 0.09 0.00 0.00 178.44 178.89 1k83 h ASP 332 N 0.81 1.16 -0.56 -0.43 1.82 -1.07 0.41 116.42 118.56 1k83 h ASP 332 Ca 0.26 -0.04 0.08 0.00 -0.39 0.00 0.00 57.03 56.94 1k83 h ASP 332 Cb 0.01 -0.29 -0.06 0.00 0.68 0.00 0.00 39.33 39.66 1k83 h ASP 332 CO -0.10 0.85 0.21 0.15 -1.61 0.00 0.00 179.24 178.74 1k83 h PHE 333 N 1.35 0.37 0.08 0.28 3.57 -0.61 0.54 116.94 122.52 1k83 h PHE 333 Ca 0.36 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.88 1k83 h PHE 333 Cb -0.12 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.54 1k83 h PHE 333 CO 0.00 0.11 -0.04 0.82 -2.23 0.00 0.00 178.31 176.97 1k83 h ILE 334 N 0.39 1.17 -0.98 1.41 2.04 -0.99 -3.22 117.51 117.34 1k83 h ILE 334 Ca 0.27 -1.27 0.27 0.00 1.00 0.00 0.00 64.86 65.13 1k83 h ILE 334 Cb 0.31 1.94 -0.13 0.00 -0.74 0.00 0.00 36.82 38.20 1k83 h ILE 334 CO -0.27 0.30 0.53 1.23 0.00 0.00 0.00 178.15 179.94 1k83 h GLY 335 N -0.73 1.87 1.36 5.37 0.00 0.14 0.16 103.07 111.24 1k83 h GLY 335 Ca -0.01 -0.25 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 1k83 h GLY 335 CO 0.02 -0.34 0.03 3.21 0.00 0.00 0.00 176.54 179.46 1k83 h ARG 336 N 0.45 0.78 -0.45 4.80 3.08 -0.95 -1.92 114.38 120.17 1k83 h ARG 336 Ca 0.65 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 60.51 1k83 h ARG 336 Cb 1.34 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.29 1k83 h ARG 336 CO -0.54 0.77 0.00 0.54 -1.07 0.00 0.00 179.97 179.67 1k83 n ARG 337 N -4.23 0.98 0.00 0.04 5.12 0.03 -3.05 116.66 115.56 1k83 n ARG 337 Ca 0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 1k83 n ARG 337 Cb 0.28 -1.23 0.00 0.00 -1.16 0.00 0.00 32.46 30.36 1k83 n ARG 337 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1k83 n GLY 338 N 0.27 -2.72 3.11 -0.13 0.00 -0.79 -0.51 105.19 104.42 1k83 n GLY 338 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1k83 n GLY 338 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k83 s THR 339 N 0.00 0.72 0.92 2.61 2.01 -0.82 -4.97 115.64 116.12 1k83 s THR 339 Ca 0.00 -1.33 -0.12 0.00 0.31 0.00 0.00 61.69 60.55 1k83 s THR 339 Cb 0.00 -0.96 0.15 0.00 0.01 0.00 0.00 72.50 71.70 1k83 s THR 339 CO 0.00 -0.46 1.12 0.00 -0.69 0.00 0.00 174.62 174.59 1k83 s ALA 340 N -1.86 1.55 -1.52 7.40 0.00 -1.26 -4.87 121.76 121.20 1k83 s ALA 340 Ca -0.03 -0.40 0.21 0.00 0.00 0.00 0.00 51.96 51.74 1k83 s ALA 340 Cb -0.07 -3.08 1.09 0.00 0.00 0.00 0.00 23.12 21.07 1k83 s ALA 340 CO -0.00 -2.40 1.67 -0.11 0.00 0.00 0.00 175.76 174.92 1k83 n LEU 341 N -3.86 0.00 0.00 0.00 7.94 -1.26 -3.24 117.00 116.58 1k83 n LEU 341 Ca 0.06 0.24 0.11 0.00 -1.11 0.00 0.00 56.01 55.31 1k83 n LEU 341 Cb 0.58 -0.24 -0.03 0.00 0.53 0.00 0.00 43.42 44.26 1k83 n LEU 341 CO 0.57 -0.08 0.03 0.61 -1.11 0.00 0.00 177.39 177.42 1k83 n GLY 342 N 0.47 -1.07 3.73 -3.96 0.00 -1.26 -4.97 105.19 98.12 1k83 n GLY 342 Ca 0.11 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 1k83 n GLY 342 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k83 s ILE 343 N -3.04 3.10 0.35 -0.61 1.01 -1.20 -5.00 121.20 115.81 1k83 s ILE 343 Ca 0.08 0.84 -0.27 0.00 0.00 0.00 0.00 60.65 61.30 1k83 s ILE 343 Cb 0.16 -3.54 -0.09 0.00 0.01 0.00 0.00 42.46 39.00 1k83 s ILE 343 CO 0.83 0.10 1.18 -0.54 0.00 0.00 0.00 174.94 176.51 1k83 s LYS 344 N 0.48 4.30 0.10 2.79 1.02 -1.26 -4.81 119.74 122.36 1k83 s LYS 344 Ca 0.62 1.92 -0.20 0.00 0.02 0.00 0.00 55.97 58.33 1k83 s LYS 344 Cb -0.38 -2.92 -0.04 0.00 -0.52 0.00 0.00 37.83 33.97 1k83 s LYS 344 CO 0.35 -0.13 1.01 1.17 -0.92 0.00 0.00 175.35 176.83 1k83 n LYS 345 N 0.56 -0.28 -0.18 1.68 4.81 -1.26 -0.64 118.16 122.85 1k83 n LYS 345 Ca 0.02 0.99 -0.00 0.00 -0.87 0.00 0.00 58.31 58.44 1k83 n LYS 345 Cb 0.45 -1.46 0.09 0.00 0.02 0.00 0.00 35.03 34.13 1k83 n LYS 345 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1k83 h GLU 346 N 0.00 0.18 -0.77 1.64 5.08 -1.98 0.15 114.58 118.89 1k83 h GLU 346 Ca 0.10 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1k83 h GLU 346 Cb 0.26 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 1k83 h GLU 346 CO -0.60 0.12 0.48 0.87 -1.00 0.00 0.00 179.01 178.87 1k83 h LYS 347 N 0.19 0.88 0.86 2.33 1.57 -1.25 0.51 116.57 121.65 1k83 h LYS 347 Ca 0.29 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.98 1k83 h LYS 347 Cb 0.45 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.57 1k83 h LYS 347 CO -0.43 0.58 -0.41 0.00 -0.57 0.00 0.00 179.45 178.63 1k83 h ARG 348 N 0.91 -1.11 -1.00 3.15 3.08 -0.58 0.13 114.38 118.96 1k83 h ARG 348 Ca 0.32 0.08 0.17 0.00 0.07 0.00 0.00 59.98 60.62 1k83 h ARG 348 Cb 0.07 0.25 -0.10 0.00 0.08 0.00 0.00 29.97 30.28 1k83 h ARG 348 CO -0.13 -0.73 0.62 0.82 -1.07 0.00 0.00 179.97 179.47 1k83 h ILE 349 N -1.20 0.76 -0.39 2.04 2.04 -0.45 0.64 117.51 120.95 1k83 h ILE 349 Ca -0.12 -0.28 -0.10 0.00 1.00 0.00 0.00 64.86 65.36 1k83 h ILE 349 Cb 0.89 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1k83 h ILE 349 CO 0.19 0.15 -0.18 -0.61 0.00 0.00 0.00 178.15 177.70 1k83 h GLN 350 N 0.81 0.73 -0.62 2.37 5.75 0.31 -1.92 115.11 122.54 1k83 h GLN 350 Ca 0.55 -0.27 -0.02 0.00 -0.15 0.00 0.00 58.65 58.76 1k83 h GLN 350 Cb 0.81 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.28 1k83 h GLN 350 CO -0.34 0.86 0.31 -0.92 -2.65 0.00 0.00 178.83 176.09 1k83 h TYR 351 N 0.65 0.89 -0.03 3.99 3.20 0.15 -2.15 116.97 123.67 1k83 h TYR 351 Ca 0.10 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.84 1k83 h TYR 351 Cb 0.66 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1k83 h TYR 351 CO 0.03 0.66 -0.40 0.00 -1.64 0.00 0.00 178.16 176.82 1k83 h ALA 352 N 1.14 1.29 -0.10 1.82 0.00 -1.09 -2.10 119.26 120.22 1k83 h ALA 352 Ca 0.21 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1k83 h ALA 352 Cb 0.10 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1k83 h ALA 352 CO -0.03 0.52 -0.03 0.87 0.00 0.00 0.00 179.25 180.58 1k83 h LYS 353 N 0.05 0.19 -0.68 0.00 1.57 -0.90 -2.28 116.57 114.53 1k83 h LYS 353 Ca 0.00 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1k83 h LYS 353 Cb 0.73 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.00 1k83 h LYS 353 CO 0.05 0.52 0.29 -0.44 -0.57 0.00 0.00 179.45 179.30 1k83 h ASP 354 N -0.15 0.90 0.16 0.86 3.32 -1.31 -1.23 116.42 118.96 1k83 h ASP 354 Ca 0.02 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1k83 h ASP 354 Cb 0.45 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1k83 h ASP 354 CO 0.01 0.79 -0.08 0.40 -1.72 0.00 0.00 179.24 178.64 1k83 h ILE 355 N 0.97 0.91 0.00 0.35 2.04 -1.34 0.17 117.51 120.61 1k83 h ILE 355 Ca 0.23 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1k83 h ILE 355 Cb 0.16 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1k83 h ILE 355 CO -0.02 0.07 -0.03 -0.07 0.00 0.00 0.00 178.15 178.10 1k83 h LEU 356 N -0.36 0.00 0.07 1.44 3.38 -1.22 0.17 115.31 118.79 1k83 h LEU 356 Ca -0.02 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.63 1k83 h LEU 356 Cb 0.28 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1k83 h LEU 356 CO 0.04 0.03 -1.79 -0.61 0.09 0.00 0.00 178.44 176.19 1k83 h GLN 357 N 0.00 0.14 0.00 1.13 4.15 -0.65 -3.37 115.11 116.51 1k83 h GLN 357 Ca -0.00 -0.25 -0.03 0.00 0.77 0.00 0.00 58.65 59.14 1k83 h GLN 357 Cb 0.20 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 1k83 h GLN 357 CO 0.00 0.88 -1.13 1.63 -1.93 0.00 0.00 178.83 178.29 1k83 n LYS 358 N -3.28 2.57 0.05 1.69 5.02 0.54 -4.11 118.16 120.64 1k83 n LYS 358 Ca -0.23 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1k83 n LYS 358 Cb 1.05 -1.05 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 1k83 n LYS 358 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1k83 n GLU 359 N -2.22 0.55 -3.41 1.97 -0.58 0.37 -4.45 120.64 112.87 1k83 n GLU 359 Ca -0.03 -0.01 -0.38 0.00 -0.42 0.00 0.00 57.16 56.31 1k83 n GLU 359 Cb 0.55 -1.67 -0.08 0.00 -0.57 0.00 0.00 31.44 29.67 1k83 n GLU 359 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1k83 s PHE 360 N -3.38 3.32 -1.23 -0.32 5.36 0.15 -4.53 117.98 117.35 1k83 s PHE 360 Ca -0.02 0.51 -0.35 0.00 -0.96 0.00 0.00 56.93 56.10 1k83 s PHE 360 Cb 0.12 -2.52 0.05 0.00 -0.34 0.00 0.00 43.02 40.33 1k83 s PHE 360 CO 0.83 -0.09 0.67 1.28 -1.46 0.00 0.00 175.22 176.45 1k83 n LEU 361 N 4.79 -0.11 0.23 6.12 4.77 -1.26 -4.72 117.00 126.83 1k83 n LEU 361 Ca -0.09 -1.32 0.08 0.00 -0.03 0.00 0.00 56.01 54.65 1k83 n LEU 361 Cb 0.51 -1.58 0.55 0.00 -2.33 0.00 0.00 43.42 40.57 1k83 n LEU 361 CO 0.38 0.83 0.88 1.55 -1.33 0.00 0.00 177.39 179.71 1k83 h PRO 362 N -2.68 0.00 0.00 3.23 0.13 -1.78 -2.90 132.00 127.99 1k83 h PRO 362 Ca -0.72 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.41 1k83 h PRO 362 Cb 1.41 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.54 1k83 h PRO 362 CO 0.52 0.21 -0.02 1.12 -0.23 0.00 0.00 178.00 179.60 1k83 h HIS 363 N 0.00 0.00 0.06 1.56 2.07 -1.87 -3.02 115.15 113.96 1k83 h HIS 363 Ca -0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.51 1k83 h HIS 363 Cb 0.43 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.41 1k83 h HIS 363 CO 0.00 0.02 -0.03 0.82 -3.07 0.00 0.00 177.93 175.67 1k83 h ILE 364 N 0.00 0.00 -2.87 6.12 2.04 -1.87 -3.47 117.51 117.46 1k83 h ILE 364 Ca -0.00 -0.40 0.02 0.00 1.00 0.00 0.00 64.86 65.48 1k83 h ILE 364 Cb 0.22 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.19 1k83 h ILE 364 CO 0.00 0.00 0.26 -0.89 0.00 0.00 0.00 178.15 177.53 1k83 s THR 365 N -1.68 0.00 0.00 -0.27 2.01 -1.14 -5.04 115.64 109.53 1k83 s THR 365 Ca -0.01 -0.16 0.00 0.00 0.31 0.00 0.00 61.69 61.83 1k83 s THR 365 Cb 0.00 -1.17 0.00 0.00 0.01 0.00 0.00 72.50 71.34 1k83 s THR 365 CO 0.04 0.00 0.20 0.00 -0.69 0.00 0.00 174.62 174.17 1k83 n GLN 366 N -0.37 0.35 0.00 4.92 6.02 -1.26 -4.48 117.38 122.56 1k83 n GLN 366 Ca -0.14 -0.20 0.00 0.00 -0.01 0.00 0.00 57.00 56.65 1k83 n GLN 366 Cb 0.64 -0.65 0.00 0.00 1.02 0.00 0.00 30.24 31.24 1k83 n GLN 366 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1k83 n LEU 367 N -0.11 0.00 0.00 1.08 4.77 -1.26 -4.60 117.00 116.88 1k83 n LEU 367 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1k83 n LEU 367 Cb 0.10 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1k83 n LEU 367 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.44 1k83 n GLU 368 N 0.00 0.00 0.00 3.23 1.02 -1.26 -4.82 120.64 118.81 1k83 n GLU 368 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1k83 n GLU 368 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1k83 n GLU 368 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k83 n GLY 369 N 3.25 0.52 1.21 0.62 0.00 -1.26 -4.07 105.19 105.46 1k83 n GLY 369 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1k83 n GLY 369 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1k83 n PHE 370 N 2.03 1.18 -0.13 1.61 3.01 -1.26 -4.73 117.46 119.17 1k83 n PHE 370 Ca 0.00 -1.81 -0.05 0.00 1.01 0.00 0.00 57.45 56.60 1k83 n PHE 370 Cb 0.00 -0.36 0.13 0.00 -0.01 0.00 0.00 39.48 39.24 1k83 n PHE 370 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1k83 h GLU 371 N 1.42 0.84 -0.16 -1.08 3.07 -1.89 -2.58 114.58 114.19 1k83 h GLU 371 Ca 0.18 -0.24 -0.08 0.00 -0.50 0.00 0.00 59.36 58.73 1k83 h GLU 371 Cb 1.28 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 29.09 1k83 h GLU 371 CO 0.37 0.85 -0.24 0.66 -1.40 0.00 0.00 179.01 179.25 1k83 h SER 372 N 0.78 0.28 -0.04 1.42 4.64 -1.85 -2.09 113.55 116.70 1k83 h SER 372 Ca 0.15 -0.08 -0.06 0.00 -0.47 0.00 0.00 61.79 61.33 1k83 h SER 372 Cb 0.48 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1k83 h SER 372 CO 0.02 0.53 -0.12 0.03 -0.87 0.00 0.00 176.83 176.42 1k83 h ARG 373 N 0.26 0.33 0.04 4.77 3.08 -1.82 -2.51 114.38 118.52 1k83 h ARG 373 Ca 0.04 -0.08 -0.26 0.00 0.07 0.00 0.00 59.98 59.75 1k83 h ARG 373 Cb 0.57 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.55 1k83 h ARG 373 CO 0.04 0.45 -1.36 0.87 -1.07 0.00 0.00 179.97 178.91 1k83 h LYS 374 N 0.31 0.08 -0.42 0.04 1.57 -1.42 -2.89 116.57 113.84 1k83 h LYS 374 Ca 0.06 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1k83 h LYS 374 Cb 0.40 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1k83 h LYS 374 CO 0.02 0.90 0.20 0.00 -0.57 0.00 0.00 179.45 180.00 1k83 h ALA 375 N 0.84 0.54 -0.47 3.86 0.00 -1.23 0.48 119.26 123.28 1k83 h ALA 375 Ca -0.16 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 1k83 h ALA 375 Cb 1.91 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 1k83 h ALA 375 CO 0.13 0.11 -0.03 0.74 0.00 0.00 0.00 179.25 180.20 1k83 h PHE 376 N 0.54 0.84 -0.16 0.00 -1.00 -1.54 0.19 116.94 115.81 1k83 h PHE 376 Ca 0.14 -0.13 -0.18 0.00 2.81 0.00 0.00 57.97 60.62 1k83 h PHE 376 Cb 0.13 -0.23 -0.00 0.00 3.61 0.00 0.00 35.95 39.45 1k83 h PHE 376 CO -0.01 0.79 -0.62 0.35 -1.61 0.00 0.00 178.31 177.21 1k83 h PHE 377 N 0.73 0.73 -0.47 -0.55 3.57 -1.19 0.80 116.94 120.56 1k83 h PHE 377 Ca 0.14 -0.28 -0.07 0.00 3.53 0.00 0.00 57.97 61.29 1k83 h PHE 377 Cb 0.48 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 1k83 h PHE 377 CO 0.03 1.04 0.03 1.25 -2.23 0.00 0.00 178.31 178.42 1k83 h LEU 378 N 0.42 0.79 -1.15 0.59 5.85 0.21 -1.52 115.31 120.50 1k83 h LEU 378 Ca -0.01 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.44 1k83 h LEU 378 Cb 1.19 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 1k83 h LEU 378 CO 0.12 0.89 0.58 1.23 -0.34 0.00 0.00 178.44 180.91 1k83 h GLY 379 N 0.67 1.23 0.95 3.75 0.00 -0.37 -1.05 103.07 108.24 1k83 h GLY 379 Ca 0.14 -0.45 0.01 0.00 0.00 0.00 0.00 47.33 47.03 1k83 h GLY 379 CO 0.02 0.42 0.17 -1.82 0.00 0.00 0.00 176.54 175.33 1k83 h TYR 380 N 1.15 0.32 -0.52 5.60 3.20 -0.31 0.19 116.97 126.60 1k83 h TYR 380 Ca 0.33 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.21 1k83 h TYR 380 Cb -0.08 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.06 1k83 h TYR 380 CO -0.00 0.19 0.33 0.52 -1.64 0.00 0.00 178.16 177.56 1k83 h MET 381 N 0.35 0.69 -0.84 1.82 2.86 -0.67 -1.03 114.93 118.11 1k83 h MET 381 Ca 0.11 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 1k83 h MET 381 Cb -0.01 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.46 1k83 h MET 381 CO -0.05 0.48 0.46 0.82 1.06 0.00 0.00 176.91 179.69 1k83 h ILE 382 N 0.70 1.25 0.17 -1.22 2.04 -0.66 -0.01 117.51 119.77 1k83 h ILE 382 Ca 0.19 -0.61 0.01 0.00 1.00 0.00 0.00 64.86 65.45 1k83 h ILE 382 Cb -0.05 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.13 1k83 h ILE 382 CO -0.04 0.27 -0.25 -1.13 0.00 0.00 0.00 178.15 177.00 1k83 h ASN 383 N 1.16 -0.70 -0.02 1.72 -1.24 -0.02 -0.42 115.58 116.06 1k83 h ASN 383 Ca 0.29 0.08 -0.03 0.00 0.71 0.00 0.00 56.30 57.35 1k83 h ASN 383 Cb 0.03 0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.32 1k83 h ASN 383 CO -0.05 -0.35 -0.06 0.03 -1.29 0.00 0.00 177.43 175.71 1k83 h ARG 384 N -0.49 0.20 0.08 6.67 3.08 -0.83 0.81 114.38 123.91 1k83 h ARG 384 Ca 0.02 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1k83 h ARG 384 Cb 0.49 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1k83 h ARG 384 CO -0.11 0.28 -0.04 1.25 -1.07 0.00 0.00 179.97 180.28 1k83 h LEU 385 N 0.20 -0.09 -0.46 3.04 5.85 -0.48 -3.00 115.31 120.36 1k83 h LEU 385 Ca 0.05 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1k83 h LEU 385 Cb 0.24 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1k83 h LEU 385 CO 0.01 0.17 0.26 -0.07 -0.34 0.00 0.00 178.44 178.47 1k83 h LEU 386 N -0.36 0.57 -2.07 2.25 3.38 -0.65 -1.83 115.31 116.60 1k83 h LEU 386 Ca -0.01 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1k83 h LEU 386 Cb 0.31 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1k83 h LEU 386 CO 0.02 0.49 0.32 0.25 0.09 0.00 0.00 178.44 179.60 1k83 h LEU 387 N 0.61 0.00 0.04 1.67 5.85 -0.83 0.27 115.31 122.91 1k83 h LEU 387 Ca 0.16 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.54 1k83 h LEU 387 Cb 0.04 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1k83 h LEU 387 CO -0.03 0.00 -1.93 0.00 -0.34 0.00 0.00 178.44 176.14 1k83 h ALA 389 N -0.36 1.65 -0.23 0.00 0.00 -0.24 -0.72 119.26 119.36 1k83 h ALA 389 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1k83 h ALA 389 Cb 1.67 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1k83 h ALA 389 CO -0.15 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.40 1k83 n LEU 390 N -4.05 1.88 -3.94 0.00 4.77 0.75 -4.91 117.00 111.49 1k83 n LEU 390 Ca -0.03 -0.94 -0.28 0.00 -0.03 0.00 0.00 56.01 54.73 1k83 n LEU 390 Cb 0.10 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1k83 n LEU 390 CO 0.30 0.35 -0.07 0.47 -1.33 0.00 0.00 177.39 177.11 1k83 n ASP 391 N 0.23 -2.18 -0.00 -1.43 9.92 -0.28 -4.87 116.55 117.95 1k83 n ASP 391 Ca 0.09 -0.91 0.03 0.00 -0.53 0.00 0.00 54.79 53.47 1k83 n ASP 391 Cb 0.36 -3.43 -0.04 0.00 -0.64 0.00 0.00 41.12 37.37 1k83 n ASP 391 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1k83 n ARG 392 N -4.44 3.58 -3.85 -1.24 1.74 -0.84 -5.00 116.66 106.61 1k83 n ARG 392 Ca -0.15 -0.02 -0.12 0.00 -0.77 0.00 0.00 57.85 56.80 1k83 n ARG 392 Cb 0.61 -0.90 -0.10 0.00 -1.02 0.00 0.00 32.46 31.05 1k83 n ARG 392 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1k83 s LYS 393 N -1.83 0.49 0.24 5.56 -0.14 -0.77 -4.98 119.74 118.31 1k83 s LYS 393 Ca 0.01 -0.30 -0.15 0.00 -1.36 0.00 0.00 55.97 54.17 1k83 s LYS 393 Cb 0.04 0.21 -0.08 0.00 -1.68 0.00 0.00 37.83 36.32 1k83 s LYS 393 CO 0.26 -0.12 0.66 -0.51 -0.76 0.00 0.00 175.35 174.88 1k83 s ASP 394 N -1.24 6.83 0.50 2.83 1.01 -1.26 -4.50 116.67 120.83 1k83 s ASP 394 Ca -0.13 1.21 -0.23 0.00 0.71 0.00 0.00 52.55 54.11 1k83 s ASP 394 Cb -0.07 -2.34 -0.08 0.00 1.01 0.00 0.00 42.92 41.45 1k83 s ASP 394 CO 0.02 -0.06 1.16 0.00 0.21 0.00 0.00 175.17 176.50 1k83 n GLN 395 N 0.19 1.50 -1.66 8.23 10.64 -1.26 -4.87 117.38 130.15 1k83 n GLN 395 Ca -0.00 0.55 -0.42 0.00 -1.83 0.00 0.00 57.00 55.30 1k83 n GLN 395 Cb 0.52 -2.31 0.01 0.00 -0.86 0.00 0.00 30.24 27.60 1k83 n GLN 395 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1k83 n ASP 396 N -0.26 2.05 -4.47 2.61 8.00 -0.90 -4.94 116.55 118.65 1k83 n ASP 396 Ca 0.10 1.10 -0.43 0.00 0.71 0.00 0.00 54.79 56.27 1k83 n ASP 396 Cb 0.43 -1.43 -0.04 0.00 -0.02 0.00 0.00 41.12 40.06 1k83 n ASP 396 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1k83 s ASP 397 N -0.57 6.23 0.00 -2.24 2.15 -1.26 -4.91 116.67 116.07 1k83 s ASP 397 Ca 0.61 -1.06 0.00 0.00 0.43 0.00 0.00 52.55 52.53 1k83 s ASP 397 Cb -0.55 -2.43 0.00 0.00 -0.30 0.00 0.00 42.92 39.64 1k83 s ASP 397 CO 0.58 -1.45 0.58 0.54 -0.17 0.00 0.00 175.17 175.26 1k83 n ARG 398 N 7.79 0.00 -0.12 4.34 1.74 -1.26 -2.03 116.66 127.12 1k83 n ARG 398 Ca 0.01 0.11 0.04 0.00 -0.77 0.00 0.00 57.85 57.24 1k83 n ARG 398 Cb 0.46 -1.51 0.11 0.00 -1.02 0.00 0.00 32.46 30.50 1k83 n ARG 398 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1k83 n ASP 399 N -1.08 2.60 -4.65 0.55 8.00 -1.26 -4.71 116.55 116.00 1k83 n ASP 399 Ca 0.00 -1.91 -0.43 0.00 0.71 0.00 0.00 54.79 53.16 1k83 n ASP 399 Cb 0.01 -0.16 -0.02 0.00 -0.02 0.00 0.00 41.12 40.93 1k83 n ASP 399 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1k83 s HIS 400 N -0.96 2.59 0.67 1.24 2.46 -0.86 -4.90 115.29 115.53 1k83 s HIS 400 Ca 0.17 0.81 0.42 0.00 0.47 0.00 0.00 55.06 56.93 1k83 s HIS 400 Cb 0.09 -3.73 2.31 0.00 -0.13 0.00 0.00 32.58 31.13 1k83 s HIS 400 CO 0.12 -2.14 2.31 0.35 -2.47 0.00 0.00 174.74 172.91 1k83 h PHE 401 N 9.02 0.00 0.00 3.88 3.57 -1.92 -1.85 116.94 129.64 1k83 h PHE 401 Ca -0.29 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.21 1k83 h PHE 401 Cb 1.12 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.86 1k83 h PHE 401 CO 0.85 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 177.34 1k83 n GLY 402 N -1.11 -1.16 0.64 2.40 0.00 -1.26 -2.29 105.19 102.41 1k83 n GLY 402 Ca -0.03 0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.13 1k83 n GLY 402 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k83 n LYS 403 N -2.00 2.47 -3.71 1.61 5.02 -0.69 -4.59 118.16 116.26 1k83 n LYS 403 Ca 0.02 -2.72 -0.24 0.00 -2.02 0.00 0.00 58.31 53.35 1k83 n LYS 403 Cb 0.20 -1.72 -0.00 0.00 -0.02 0.00 0.00 35.03 33.49 1k83 n LYS 403 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1k83 s LYS 404 N -2.75 2.31 -0.13 1.97 -0.14 -0.97 -0.74 119.74 119.29 1k83 s LYS 404 Ca 0.38 -1.87 -0.20 0.00 -1.36 0.00 0.00 55.97 52.92 1k83 s LYS 404 Cb 0.31 -2.23 0.05 0.00 -1.68 0.00 0.00 37.83 34.28 1k83 s LYS 404 CO 0.07 -0.56 0.51 1.03 -0.76 0.00 0.00 175.35 175.64 1k83 s ARG 405 N -4.30 0.71 -0.24 1.68 1.81 0.28 -4.50 118.95 114.39 1k83 s ARG 405 Ca 0.41 0.43 -0.05 0.00 -1.72 0.00 0.00 55.73 54.81 1k83 s ARG 405 Cb -0.03 0.34 -0.00 0.00 -0.45 0.00 0.00 34.95 34.81 1k83 s ARG 405 CO 0.25 -0.15 -0.00 -0.51 -0.68 0.00 0.00 175.30 174.21 1k83 s LEU 406 N -0.36 3.21 0.02 2.53 1.43 0.14 -0.76 118.68 124.89 1k83 s LEU 406 Ca -0.05 -0.48 -0.23 0.00 -1.03 0.00 0.00 54.13 52.34 1k83 s LEU 406 Cb -0.03 -1.79 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 1k83 s LEU 406 CO 0.03 -0.07 0.68 -1.81 0.23 0.00 0.00 176.35 175.41 1k83 s ASP 407 N 1.49 7.09 0.24 2.29 1.01 0.20 -4.38 116.67 124.61 1k83 s ASP 407 Ca 0.05 1.31 0.01 0.00 0.71 0.00 0.00 52.55 54.62 1k83 s ASP 407 Cb -0.15 -2.42 -0.00 0.00 1.01 0.00 0.00 42.92 41.36 1k83 s ASP 407 CO -0.01 0.06 0.03 0.18 0.21 0.00 0.00 175.17 175.63 1k83 n LEU 408 N 2.76 0.00 -0.36 1.23 4.77 -1.26 -1.29 117.00 122.85 1k83 n LEU 408 Ca -0.05 -1.60 0.01 0.00 -0.03 0.00 0.00 56.01 54.34 1k83 n LEU 408 Cb 0.51 0.30 0.07 0.00 -2.33 0.00 0.00 43.42 41.97 1k83 n LEU 408 CO 0.45 -0.23 0.59 0.00 -1.33 0.00 0.00 177.39 176.87 1k83 n ALA 409 N -2.13 -0.00 0.02 -1.18 0.00 -1.26 -0.80 120.51 115.15 1k83 n ALA 409 Ca -0.10 1.00 -0.02 0.00 0.00 0.00 0.00 53.44 54.32 1k83 n ALA 409 Cb 0.32 -0.50 -0.01 0.00 0.00 0.00 0.00 19.45 19.26 1k83 n ALA 409 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1k83 h GLY 410 N 0.00 -1.14 0.68 0.00 0.00 -1.88 0.26 103.07 100.99 1k83 h GLY 410 Ca 0.38 0.51 0.06 0.00 0.00 0.00 0.00 47.33 48.28 1k83 h GLY 410 CO -0.97 -0.42 0.42 -2.55 0.00 0.00 0.00 176.54 173.02 1k83 h PRO 411 N -0.09 0.75 0.12 4.80 0.11 -1.72 -2.41 132.00 133.56 1k83 h PRO 411 Ca -0.00 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.08 1k83 h PRO 411 Cb 0.09 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.01 1k83 h PRO 411 CO -0.03 0.49 -0.18 -0.07 -0.21 0.00 0.00 178.00 178.00 1k83 h LEU 412 N 0.77 -0.50 -1.67 2.35 3.38 -0.89 -1.70 115.31 117.05 1k83 h LEU 412 Ca 0.33 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1k83 h LEU 412 Cb 0.20 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1k83 h LEU 412 CO -0.18 -0.26 0.00 -0.07 0.09 0.00 0.00 178.44 178.01 1k83 h LEU 413 N -0.36 0.00 0.00 1.67 3.38 -0.13 -2.14 115.31 117.73 1k83 h LEU 413 Ca 0.02 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1k83 h LEU 413 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1k83 h LEU 413 CO -0.09 0.00 -0.80 0.00 0.09 0.00 0.00 178.44 177.63 1k83 h ALA 414 N 2.02 0.68 0.02 1.53 0.00 -0.82 -2.65 119.26 120.04 1k83 h ALA 414 Ca 0.00 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.37 1k83 h ALA 414 Cb 0.04 0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1k83 h ALA 414 CO 0.00 0.48 -0.52 1.96 0.00 0.00 0.00 179.25 181.17 1k83 h GLN 415 N 0.00 0.32 0.56 0.00 4.20 -1.27 -1.87 115.11 117.06 1k83 h GLN 415 Ca -0.05 -0.37 -0.03 0.00 0.06 0.00 0.00 58.65 58.26 1k83 h GLN 415 Cb 1.30 0.11 0.01 0.00 0.30 0.00 0.00 27.48 29.20 1k83 h GLN 415 CO 0.04 1.08 -0.27 -0.07 -0.67 0.00 0.00 178.83 178.93 1k83 h LEU 416 N -0.28 -0.64 -0.77 1.46 3.38 -1.68 -1.71 115.31 115.08 1k83 h LEU 416 Ca -0.07 -0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.01 1k83 h LEU 416 Cb 1.28 0.17 -0.09 0.00 0.09 0.00 0.00 40.66 42.10 1k83 h LEU 416 CO 0.10 -0.37 0.34 0.15 0.09 0.00 0.00 178.44 178.76 1k83 h PHE 417 N -0.88 0.60 0.03 1.13 3.57 -1.57 0.47 116.94 120.28 1k83 h PHE 417 Ca -0.08 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 1k83 h PHE 417 Cb 0.63 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.22 1k83 h PHE 417 CO -0.01 0.13 -0.02 0.87 -2.23 0.00 0.00 178.31 177.05 1k83 h LYS 418 N 0.52 -0.04 -0.92 1.11 1.57 -1.22 0.25 116.57 117.84 1k83 h LYS 418 Ca 0.41 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 59.38 1k83 h LYS 418 Cb 0.58 0.01 -0.17 0.00 0.08 0.00 0.00 32.23 32.72 1k83 h LYS 418 CO -0.36 -0.03 -0.24 1.15 -0.57 0.00 0.00 179.45 179.40 1k83 h THR 419 N -0.04 0.07 -0.33 -0.16 2.02 -0.90 0.24 112.91 113.80 1k83 h THR 419 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1k83 h THR 419 Cb 0.03 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.50 1k83 h THR 419 CO 0.00 0.00 0.18 -0.07 0.37 0.00 0.00 175.52 176.00 1k83 h LEU 420 N -0.00 0.42 -2.14 2.58 3.38 0.04 -1.81 115.31 117.78 1k83 h LEU 420 Ca 0.44 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 1k83 h LEU 420 Cb 0.67 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1k83 h LEU 420 CO -0.95 0.39 -0.07 0.15 0.09 0.00 0.00 178.44 178.05 1k83 h PHE 421 N 0.41 0.00 0.00 1.13 3.57 0.25 0.29 116.94 122.60 1k83 h PHE 421 Ca 0.12 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1k83 h PHE 421 Cb 0.06 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.80 1k83 h PHE 421 CO -0.03 0.07 0.00 -0.22 -2.23 0.00 0.00 178.31 175.90 1k83 h LYS 422 N 0.00 0.00 0.17 1.11 1.63 0.10 -0.59 116.57 118.99 1k83 h LYS 422 Ca -0.00 0.00 -0.35 0.00 -0.85 0.00 0.00 60.65 59.45 1k83 h LYS 422 Cb 0.24 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1k83 h LYS 422 CO 0.01 0.00 -1.78 0.87 -3.45 0.00 0.00 179.45 175.10 1k83 h LYS 423 N 0.00 0.35 0.00 1.90 1.57 -0.50 -2.39 116.57 117.50 1k83 h LYS 423 Ca 0.00 -0.60 -0.05 0.00 -1.87 0.00 0.00 60.65 58.13 1k83 h LYS 423 Cb 0.89 0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 1k83 h LYS 423 CO 0.00 1.29 -0.21 1.25 -0.57 0.00 0.00 179.45 181.20 1k83 h LEU 424 N 0.06 0.00 0.00 2.94 6.46 -1.17 -0.83 115.31 122.78 1k83 h LEU 424 Ca -0.36 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.34 1k83 h LEU 424 Cb 2.05 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.98 1k83 h LEU 424 CO 0.15 0.21 -0.33 0.74 -0.62 0.00 0.00 178.44 178.59 1k83 h THR 425 N 0.00 0.42 0.02 1.05 2.02 -1.14 -3.04 112.91 112.23 1k83 h THR 425 Ca -0.00 -1.60 -0.00 0.00 0.77 0.00 0.00 66.41 65.57 1k83 h THR 425 Cb 0.46 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 69.05 1k83 h THR 425 CO 0.03 0.24 -0.01 0.11 0.37 0.00 0.00 175.52 176.26 1k83 h LYS 426 N 0.00 -0.02 -0.57 6.66 1.57 -0.65 -3.26 116.57 120.30 1k83 h LYS 426 Ca -0.01 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.88 1k83 h LYS 426 Cb 1.20 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.43 1k83 h LYS 426 CO 0.03 0.75 0.05 -0.44 -0.57 0.00 0.00 179.45 179.27 1k83 h ASP 427 N -0.86 -0.14 -0.63 0.86 3.32 -1.31 0.12 116.42 117.78 1k83 h ASP 427 Ca -0.00 0.12 0.17 0.00 0.02 0.00 0.00 57.03 57.34 1k83 h ASP 427 Cb 0.78 0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.50 1k83 h ASP 427 CO 0.00 -0.05 0.45 0.40 -1.72 0.00 0.00 179.24 178.32 1k83 h ILE 428 N 0.17 0.71 0.00 0.35 2.04 -1.63 0.86 117.51 120.02 1k83 h ILE 428 Ca 0.29 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 66.13 1k83 h ILE 428 Cb 0.45 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1k83 h ILE 428 CO -0.44 0.01 0.00 0.33 0.00 0.00 0.00 178.15 178.06 1k83 n PHE 429 N -4.38 0.00 -0.08 1.37 7.35 0.42 -5.13 117.46 117.01 1k83 n PHE 429 Ca 0.12 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.69 1k83 n PHE 429 Cb 0.66 -0.25 -0.07 0.00 0.35 0.00 0.00 39.48 40.17 1k83 n PHE 429 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1k83 n ARG 430 N -1.25 0.38 0.00 -4.13 1.74 0.30 -5.11 116.66 108.59 1k83 n ARG 430 Ca 0.12 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 1k83 n ARG 430 Cb 0.18 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 1k83 n ARG 430 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1k83 n LEU 446 N -3.10 0.00 -3.82 0.55 4.77 -1.26 -5.04 117.00 109.09 1k83 n LEU 446 Ca -0.29 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.41 1k83 n LEU 446 Cb 0.78 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.91 1k83 n LEU 446 CO 0.13 0.00 0.12 0.00 -1.33 0.00 0.00 177.39 176.31 1k83 n ALA 447 N 0.00 -1.37 -3.77 -1.18 0.00 -1.26 -4.99 120.51 107.93 1k83 n ALA 447 Ca 0.00 0.20 -0.23 0.00 0.00 0.00 0.00 53.44 53.41 1k83 n ALA 447 Cb 0.00 -4.44 -0.18 0.00 0.00 0.00 0.00 19.45 14.83 1k83 n ALA 447 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1k83 s ILE 448 N -3.34 0.40 -0.78 0.00 1.01 -1.26 -4.79 121.20 112.44 1k83 s ILE 448 Ca 0.58 0.10 -0.21 0.00 0.00 0.00 0.00 60.65 61.12 1k83 s ILE 448 Cb -0.28 -0.56 0.10 0.00 0.01 0.00 0.00 42.46 41.73 1k83 s ILE 448 CO 0.81 0.26 1.03 0.21 0.00 0.00 0.00 174.94 177.24 1k83 s ASN 449 N 1.96 6.37 0.47 3.58 3.84 -1.26 -4.87 114.94 125.03 1k83 s ASN 449 Ca 0.05 -1.47 0.17 0.00 0.21 0.00 0.00 52.86 51.82 1k83 s ASN 449 Cb -0.12 -2.41 1.12 0.00 -0.55 0.00 0.00 41.25 39.29 1k83 s ASN 449 CO -0.05 -1.27 2.03 0.00 -2.79 0.00 0.00 177.10 175.01 1k83 h ALA 450 N 9.25 1.65 0.00 1.71 0.00 -1.94 -2.76 119.26 127.17 1k83 h ALA 450 Ca -0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1k83 h ALA 450 Cb 1.05 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1k83 h ALA 450 CO 1.15 0.19 -0.11 -0.22 0.00 0.00 0.00 179.25 180.27 1k83 h LYS 451 N 0.00 0.00 -0.98 0.00 3.64 -1.96 -2.63 116.57 114.64 1k83 h LYS 451 Ca -0.00 0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.58 1k83 h LYS 451 Cb 0.29 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.00 1k83 h LYS 451 CO 0.02 0.11 0.57 1.15 -2.27 0.00 0.00 179.45 179.03 1k83 h THR 452 N 0.00 0.65 0.00 1.00 2.02 -1.91 -1.71 112.91 112.96 1k83 h THR 452 Ca -0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1k83 h THR 452 Cb 0.32 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1k83 h THR 452 CO 0.01 0.12 -0.08 0.40 0.37 0.00 0.00 175.52 176.35 1k83 h ILE 453 N 0.68 0.00 -0.91 3.11 2.04 -1.69 -3.08 117.51 117.66 1k83 h ILE 453 Ca 0.58 -0.68 0.26 0.00 1.00 0.00 0.00 64.86 66.02 1k83 h ILE 453 Cb 0.96 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 1k83 h ILE 453 CO -0.41 0.00 0.86 0.74 0.00 0.00 0.00 178.15 179.34 1k83 h THR 454 N -0.68 0.23 0.00 -0.27 2.02 -1.51 -0.94 112.91 111.76 1k83 h THR 454 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1k83 h THR 454 Cb 0.08 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1k83 h THR 454 CO 0.00 0.00 -0.24 0.28 0.37 0.00 0.00 175.52 175.93 1k83 h SER 455 N 0.00 0.00 -0.34 4.18 0.02 -1.46 -3.00 113.55 112.96 1k83 h SER 455 Ca 0.43 -0.70 0.06 0.00 -0.84 0.00 0.00 61.79 60.74 1k83 h SER 455 Cb 2.16 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 64.65 1k83 h SER 455 CO -0.00 0.99 0.02 1.23 -1.14 0.00 0.00 176.83 177.93 1k83 h GLY 456 N -1.00 0.35 0.93 -3.77 0.00 -1.11 1.10 103.07 99.57 1k83 h GLY 456 Ca -0.06 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 1k83 h GLY 456 CO -0.04 -0.06 -0.24 1.41 0.00 0.00 0.00 176.54 177.62 1k83 h LEU 457 N 0.13 -0.56 -1.47 3.11 3.38 -1.50 -1.44 115.31 116.95 1k83 h LEU 457 Ca 0.16 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.18 1k83 h LEU 457 Cb 0.21 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1k83 h LEU 457 CO -0.25 -0.34 0.43 0.50 0.09 0.00 0.00 178.44 178.87 1k83 h LYS 458 N -0.74 0.62 0.38 1.13 3.64 -1.33 -0.25 116.57 120.01 1k83 h LYS 458 Ca -0.07 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1k83 h LYS 458 Cb 0.55 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1k83 h LYS 458 CO 0.11 0.41 -0.18 -0.92 -2.27 0.00 0.00 179.45 176.60 1k83 h TYR 459 N 0.64 -0.47 -0.91 1.91 3.20 0.15 -1.97 116.97 119.52 1k83 h TYR 459 Ca 0.28 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.29 1k83 h TYR 459 Cb 0.28 0.16 -0.09 0.00 1.54 0.00 0.00 36.73 38.61 1k83 h TYR 459 CO -0.00 -0.29 0.51 0.00 -1.64 0.00 0.00 178.16 176.73 1k83 h ALA 460 N -1.67 1.39 0.00 1.82 0.00 -1.08 0.62 119.26 120.34 1k83 h ALA 460 Ca -0.05 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1k83 h ALA 460 Cb 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1k83 h ALA 460 CO 0.09 -0.01 0.00 -0.07 0.00 0.00 0.00 179.25 179.25 1k83 h LEU 461 N 0.73 0.00 0.00 0.00 4.07 -1.10 -2.24 115.31 116.77 1k83 h LEU 461 Ca 0.49 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 58.28 1k83 h LEU 461 Cb 0.65 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.36 1k83 h LEU 461 CO -0.34 0.00 -1.40 0.00 -1.08 0.00 0.00 178.44 175.62 1k83 h ALA 462 N 2.14 0.66 -3.00 1.53 0.00 -0.11 -3.45 119.26 117.03 1k83 h ALA 462 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1k83 h ALA 462 Cb 0.56 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1k83 h ALA 462 CO 0.00 0.94 0.00 2.41 0.00 0.00 0.00 179.25 182.60 1k83 n THR 463 N -2.91 0.00 0.00 0.00 -1.04 -0.57 -5.02 114.28 104.74 1k83 n THR 463 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1k83 n THR 463 Cb 0.85 -0.44 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 1k83 n THR 463 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1k83 n GLY 464 N 3.18 0.00 3.22 3.41 0.00 -0.86 -4.20 105.19 109.94 1k83 n GLY 464 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1k83 n GLY 464 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k83 s ASN 465 N 0.00 5.81 -0.19 1.61 0.02 -1.25 -2.93 114.94 118.01 1k83 s ASN 465 Ca 0.00 -2.00 0.01 0.00 -1.02 0.00 0.00 52.86 49.85 1k83 s ASN 465 Cb 0.00 -2.04 -0.12 0.00 0.02 0.00 0.00 41.25 39.10 1k83 s ASN 465 CO 0.00 -0.69 -0.17 0.79 0.02 0.00 0.00 177.10 177.05 1k83 n TRP 466 N 4.81 0.00 0.00 2.20 8.01 -1.26 -4.61 117.44 126.59 1k83 n TRP 466 Ca -0.06 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.13 1k83 n TRP 466 Cb 0.41 -0.73 0.00 0.00 -2.01 0.00 0.00 31.31 28.98 1k83 n TRP 466 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1k83 n GLY 478 N 2.59 0.12 0.29 6.99 0.00 -1.15 -4.98 105.19 109.04 1k83 n GLY 478 Ca -0.34 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.81 1k83 n GLY 478 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1k83 h VAL 479 N 1.04 0.72 -3.27 1.61 2.07 -1.85 -3.41 116.25 113.16 1k83 h VAL 479 Ca 0.00 0.00 -0.67 0.00 0.82 0.00 0.00 66.70 66.85 1k83 h VAL 479 Cb 0.00 0.98 -0.33 0.00 -1.52 0.00 0.00 31.29 30.43 1k83 h VAL 479 CO 0.00 0.00 -0.86 -0.55 0.02 0.00 0.00 177.57 176.18 1k83 s SER 480 N -6.52 3.23 0.18 0.57 0.15 -1.26 -0.78 113.70 109.28 1k83 s SER 480 Ca -0.05 -0.55 0.06 0.00 0.70 0.00 0.00 55.95 56.11 1k83 s SER 480 Cb 0.16 -1.46 -0.05 0.00 -1.71 0.00 0.00 66.02 62.96 1k83 s SER 480 CO 0.60 0.11 -0.11 -1.10 1.20 0.00 0.00 173.24 173.94 1k83 s GLN 481 N 0.62 1.22 -0.23 5.44 -0.21 0.08 -4.56 119.66 122.02 1k83 s GLN 481 Ca -0.11 -1.54 -0.29 0.00 0.02 0.00 0.00 55.36 53.44 1k83 s GLN 481 Cb -0.16 -0.87 -0.01 0.00 1.00 0.00 0.00 33.01 32.96 1k83 s GLN 481 CO 0.03 0.11 1.40 0.08 -2.12 0.00 0.00 175.29 174.79 1k83 s VAL 482 N -3.16 4.01 0.15 1.09 1.01 -1.26 0.23 120.40 122.47 1k83 s VAL 482 Ca 0.21 1.17 -0.33 0.00 0.00 0.00 0.00 61.98 63.02 1k83 s VAL 482 Cb 0.01 -3.94 -0.16 0.00 0.00 0.00 0.00 36.38 32.29 1k83 s VAL 482 CO 0.04 -0.31 1.14 -0.11 0.00 0.00 0.00 175.10 175.86 1k83 n LEU 483 N 7.57 1.28 -4.78 3.92 7.94 0.38 -4.90 117.00 128.42 1k83 n LEU 483 Ca 0.16 1.14 -0.33 0.00 -1.11 0.00 0.00 56.01 55.87 1k83 n LEU 483 Cb 0.45 -1.18 0.04 0.00 0.53 0.00 0.00 43.42 43.26 1k83 n LEU 483 CO 0.62 -1.41 0.73 0.20 -1.11 0.00 0.00 177.39 176.42 1k83 s ASN 484 N -0.01 5.31 0.00 1.96 -0.87 -1.26 -4.96 114.94 115.11 1k83 s ASN 484 Ca 0.75 1.93 0.02 0.00 -1.57 0.00 0.00 52.86 53.99 1k83 s ASN 484 Cb -0.90 -2.54 0.04 0.00 -0.02 0.00 0.00 41.25 37.83 1k83 s ASN 484 CO 0.52 -1.49 0.88 0.54 -2.57 0.00 0.00 177.10 174.99 1k83 n ARG 485 N -2.34 0.00 0.06 -0.60 3.00 -1.26 -4.46 116.66 111.05 1k83 n ARG 485 Ca 0.10 -0.83 -0.07 0.00 -0.01 0.00 0.00 57.85 57.04 1k83 n ARG 485 Cb 0.52 0.28 0.09 0.00 0.00 0.00 0.00 32.46 33.36 1k83 n ARG 485 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.63 179.51 1k83 h TYR 486 N 0.09 0.44 -3.52 -1.55 -1.99 -1.93 -3.43 116.97 105.09 1k83 h TYR 486 Ca -0.37 -0.17 -0.06 0.00 2.00 0.00 0.00 58.73 60.14 1k83 h TYR 486 Cb 1.35 -0.08 -0.12 0.00 2.00 0.00 0.00 36.73 39.87 1k83 h TYR 486 CO -0.17 0.86 -0.14 0.99 -0.00 0.00 0.00 178.16 179.70 1k83 s THR 487 N -3.81 0.07 0.06 -2.88 2.01 -1.26 -4.29 115.64 105.54 1k83 s THR 487 Ca -0.05 -0.86 -0.23 0.00 0.31 0.00 0.00 61.69 60.86 1k83 s THR 487 Cb 0.12 -1.41 -0.14 0.00 0.01 0.00 0.00 72.50 71.07 1k83 s THR 487 CO 0.81 -0.32 1.56 0.22 -0.69 0.00 0.00 174.62 176.21 1k83 h TYR 488 N 2.41 0.12 -0.05 4.92 3.20 -1.80 -2.13 116.97 123.64 1k83 h TYR 488 Ca -0.32 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.48 1k83 h TYR 488 Cb 1.24 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.47 1k83 h TYR 488 CO 0.36 0.28 -0.21 0.66 -1.64 0.00 0.00 178.16 177.61 1k83 h SER 489 N -0.07 0.09 -0.67 -2.11 4.64 -1.89 -1.48 113.55 112.05 1k83 h SER 489 Ca 0.02 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.29 1k83 h SER 489 Cb 0.22 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.25 1k83 h SER 489 CO -0.00 0.31 0.29 0.77 -0.87 0.00 0.00 176.83 177.33 1k83 h SER 490 N 0.08 0.92 -0.07 4.97 4.64 -1.80 -0.39 113.55 121.90 1k83 h SER 490 Ca 0.01 -0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.19 1k83 h SER 490 Cb 0.43 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1k83 h SER 490 CO 0.03 0.81 -0.05 0.74 -0.87 0.00 0.00 176.83 177.49 1k83 h THR 491 N 0.99 1.35 -0.48 2.95 2.02 -0.63 -2.14 112.91 116.96 1k83 h THR 491 Ca 0.23 -1.14 0.09 0.00 0.77 0.00 0.00 66.41 66.36 1k83 h THR 491 Cb 0.17 1.95 -0.07 0.00 -1.74 0.00 0.00 68.15 68.45 1k83 h THR 491 CO -0.02 0.32 0.07 -0.07 0.37 0.00 0.00 175.52 176.18 1k83 h LEU 492 N -0.24 -0.05 -0.35 2.58 3.38 -1.15 -2.04 115.31 117.44 1k83 h LEU 492 Ca 0.01 0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.13 1k83 h LEU 492 Cb 0.53 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 1k83 h LEU 492 CO 0.01 0.00 0.04 -1.28 0.09 0.00 0.00 178.44 177.31 1k83 h SER 493 N 0.20 -0.05 -0.74 -0.43 0.87 -1.00 -2.47 113.55 109.93 1k83 h SER 493 Ca 0.24 0.07 0.02 0.00 -1.23 0.00 0.00 61.79 60.89 1k83 h SER 493 Cb 0.34 0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.36 1k83 h SER 493 CO -0.34 0.01 0.49 -0.74 -0.53 0.00 0.00 176.83 175.72 1k83 h HIS 494 N 0.15 0.90 0.00 2.24 6.17 -0.70 -1.37 115.15 122.54 1k83 h HIS 494 Ca 0.17 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.27 1k83 h HIS 494 Cb 0.21 -0.30 0.00 0.00 2.52 0.00 0.00 27.41 29.84 1k83 h HIS 494 CO -0.21 0.55 0.00 -0.07 0.71 0.00 0.00 177.93 178.91 1k83 h LEU 495 N 0.95 0.00 -2.95 0.26 3.38 -0.98 -2.88 115.31 113.09 1k83 h LEU 495 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1k83 h LEU 495 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1k83 h LEU 495 CO -0.07 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.00 1k83 n ARG 496 N -2.85 3.07 -2.79 1.13 5.12 -0.57 -4.89 116.66 114.88 1k83 n ARG 496 Ca 0.02 -2.54 -0.37 0.00 -1.93 0.00 0.00 57.85 53.04 1k83 n ARG 496 Cb 0.37 -1.58 -0.06 0.00 -1.16 0.00 0.00 32.46 30.03 1k83 n ARG 496 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1k83 s ARG 497 N -1.40 4.57 0.25 5.56 3.52 -0.86 -2.22 118.95 128.36 1k83 s ARG 497 Ca 0.40 1.31 0.11 0.00 -0.13 0.00 0.00 55.73 57.43 1k83 s ARG 497 Cb 0.24 -2.78 -0.05 0.00 -1.56 0.00 0.00 34.95 30.80 1k83 s ARG 497 CO 0.23 0.27 -0.18 0.99 -0.81 0.00 0.00 175.30 175.80 1k83 s THR 498 N -1.63 2.63 -0.01 4.11 2.01 0.12 -2.79 115.64 120.08 1k83 s THR 498 Ca 0.50 -2.18 -0.04 0.00 0.31 0.00 0.00 61.69 60.28 1k83 s THR 498 Cb -0.18 -2.35 -0.00 0.00 0.01 0.00 0.00 72.50 69.98 1k83 s THR 498 CO 0.23 -0.30 0.08 0.21 -0.69 0.00 0.00 174.62 174.16 1k83 s ASN 499 N -3.25 0.02 -0.34 3.53 2.47 0.11 -1.91 114.94 115.57 1k83 s ASN 499 Ca 0.27 -0.10 0.03 0.00 0.42 0.00 0.00 52.86 53.48 1k83 s ASN 499 Cb -0.06 0.18 0.10 0.00 -1.45 0.00 0.00 41.25 40.02 1k83 s ASN 499 CO 0.14 -0.21 0.07 -0.89 -3.72 0.00 0.00 177.10 172.49 1k83 s THR 500 N -0.80 1.92 0.41 -5.21 2.01 0.15 -0.42 115.64 113.69 1k83 s THR 500 Ca -0.09 -2.15 -0.26 0.00 0.31 0.00 0.00 61.69 59.50 1k83 s THR 500 Cb -0.05 -2.42 -0.10 0.00 0.01 0.00 0.00 72.50 69.94 1k83 s THR 500 CO 0.00 -0.63 1.41 -0.81 -0.69 0.00 0.00 174.62 173.91 1k83 n PRO 501 N 4.35 2.33 0.00 4.92 -0.04 -1.26 -4.92 135.00 140.38 1k83 n PRO 501 Ca 0.03 0.83 0.00 0.00 -0.04 0.00 0.00 63.50 64.31 1k83 n PRO 501 Cb 0.41 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.29 1k83 n PRO 501 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1k83 n ILE 502 N 0.05 0.00 0.03 0.52 5.41 -1.26 -5.09 119.36 119.03 1k83 n ILE 502 Ca 0.04 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.67 1k83 n ILE 502 Cb 0.40 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 39.25 1k83 n ILE 502 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1k83 h ALA 509 N -0.87 -0.01 -1.69 -1.39 0.00 -2.00 -3.50 119.26 109.79 1k83 h ALA 509 Ca 0.00 -0.06 -0.57 0.00 0.00 0.00 0.00 54.91 54.29 1k83 h ALA 509 Cb 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.38 1k83 h ALA 509 CO 0.00 -0.45 -0.76 1.63 0.00 0.00 0.00 179.25 179.66 1k83 n LYS 510 N -5.04 3.11 -0.19 0.00 5.02 -1.26 -4.94 118.16 114.86 1k83 n LYS 510 Ca -0.07 -4.46 0.30 0.00 -2.02 0.00 0.00 58.31 52.06 1k83 n LYS 510 Cb 0.08 -2.15 0.71 0.00 -0.02 0.00 0.00 35.03 33.66 1k83 n LYS 510 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1k83 h PRO 511 N 2.73 0.00 -0.02 1.97 0.13 -1.96 -2.29 132.00 132.56 1k83 h PRO 511 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1k83 h PRO 511 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1k83 h PRO 511 CO 0.80 0.00 -0.26 2.89 -0.23 0.00 0.00 178.00 181.20 1k83 n ARG 512 N -3.96 1.46 -2.91 0.86 1.85 -1.26 -4.63 116.66 108.07 1k83 n ARG 512 Ca 0.20 -1.12 -0.35 0.00 -1.00 0.00 0.00 57.85 55.58 1k83 n ARG 512 Cb 1.09 -1.48 -0.06 0.00 -1.05 0.00 0.00 32.46 30.96 1k83 n ARG 512 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 1k83 s GLN 513 N -2.31 4.33 -0.66 2.89 2.00 -0.86 -4.26 119.66 120.78 1k83 s GLN 513 Ca 0.24 1.08 -0.28 0.00 -2.00 0.00 0.00 55.36 54.40 1k83 s GLN 513 Cb 0.19 -2.57 0.03 0.00 0.80 0.00 0.00 33.01 31.45 1k83 s GLN 513 CO 0.47 0.19 1.26 -1.17 -0.50 0.00 0.00 175.29 175.54 1k83 s LEU 514 N -2.51 3.31 0.53 3.68 2.96 -1.26 -5.00 118.68 120.38 1k83 s LEU 514 Ca 0.53 -0.14 -0.18 0.00 -0.22 0.00 0.00 54.13 54.11 1k83 s LEU 514 Cb -0.14 -2.86 -0.06 0.00 0.50 0.00 0.00 46.19 43.62 1k83 s LEU 514 CO 0.19 -1.68 1.04 -2.28 -1.32 0.00 0.00 176.35 172.30 1k83 s HIS 515 N 5.46 3.01 0.18 5.38 5.65 -1.26 -4.96 115.29 128.75 1k83 s HIS 515 Ca 0.40 1.54 -0.13 0.00 0.25 0.00 0.00 55.06 57.13 1k83 s HIS 515 Cb -0.08 -3.03 0.14 0.00 -1.18 0.00 0.00 32.58 28.42 1k83 s HIS 515 CO 0.20 -0.93 1.78 -0.91 -0.65 0.00 0.00 174.74 174.23 1k83 h ASN 516 N 1.08 0.36 0.00 9.88 2.35 -1.94 -1.38 115.58 125.93 1k83 h ASN 516 Ca -0.48 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 1k83 h ASN 516 Cb 1.22 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.55 1k83 h ASN 516 CO 0.58 0.25 0.00 0.35 -1.65 0.00 0.00 177.43 176.96 1k83 n THR 517 N -4.89 0.00 0.78 2.81 -2.24 -1.26 -1.50 114.28 107.98 1k83 n THR 517 Ca 0.04 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.95 1k83 n THR 517 Cb 0.14 -0.69 0.27 0.00 -2.10 0.00 0.00 70.33 67.95 1k83 n THR 517 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1k83 n HIS 518 N -0.80 0.32 -1.68 4.78 8.25 -0.52 -4.67 115.22 120.91 1k83 n HIS 518 Ca 0.03 0.09 -0.52 0.00 -0.26 0.00 0.00 57.72 57.07 1k83 n HIS 518 Cb 0.01 -0.51 -0.06 0.00 1.12 0.00 0.00 29.99 30.56 1k83 n HIS 518 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85 1k83 n TRP 519 N -1.83 2.10 0.00 4.41 -0.00 -0.56 -1.59 117.44 119.96 1k83 n TRP 519 Ca 0.05 0.32 0.00 0.00 -0.00 0.00 0.00 57.50 57.86 1k83 n TRP 519 Cb 0.39 -2.53 0.00 0.00 -0.00 0.00 0.00 31.31 29.17 1k83 n TRP 519 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1k83 n GLY 520 N 3.88 2.90 0.12 5.87 0.00 -1.26 -4.75 105.19 111.95 1k83 n GLY 520 Ca 0.22 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.10 1k83 n GLY 520 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k83 n LEU 521 N 0.00 1.66 -3.94 0.99 4.77 -0.62 -4.55 117.00 115.31 1k83 n LEU 521 Ca 0.00 -0.02 -0.16 0.00 -0.03 0.00 0.00 56.01 55.80 1k83 n LEU 521 Cb 0.00 -0.31 -0.15 0.00 -2.33 0.00 0.00 43.42 40.63 1k83 n LEU 521 CO 0.00 0.73 -0.40 -0.69 -1.33 0.00 0.00 177.39 175.69 1k83 s VAL 522 N -2.52 0.42 0.29 4.08 1.01 -0.72 -2.30 120.40 120.66 1k83 s VAL 522 Ca -0.22 -0.20 -0.29 0.00 0.00 0.00 0.00 61.98 61.27 1k83 s VAL 522 Cb 0.08 -0.38 -0.13 0.00 0.00 0.00 0.00 36.38 35.95 1k83 s VAL 522 CO 0.72 0.13 1.30 0.00 0.00 0.00 0.00 175.10 177.25 1k83 h PRO 524 N 3.14 0.00 0.00 0.00 0.13 -1.90 -3.39 132.00 129.97 1k83 h PRO 524 Ca -0.45 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.38 1k83 h PRO 524 Cb 1.29 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.36 1k83 h PRO 524 CO 0.68 0.00 -2.14 0.00 -0.23 0.00 0.00 178.00 176.30 1k83 n ALA 525 N -1.89 1.57 -2.62 -0.56 0.00 -1.26 -4.91 120.51 110.84 1k83 n ALA 525 Ca 0.03 -0.88 -0.41 0.00 0.00 0.00 0.00 53.44 52.17 1k83 n ALA 525 Cb 0.46 0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 1k83 n ALA 525 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1k83 s GLU 526 N -2.40 3.43 0.03 0.00 2.12 -1.26 -4.05 118.70 116.57 1k83 s GLU 526 Ca -0.25 -0.90 -0.03 0.00 0.36 0.00 0.00 54.97 54.15 1k83 s GLU 526 Cb 0.07 -4.87 -0.02 0.00 0.26 0.00 0.00 34.13 29.57 1k83 s GLU 526 CO 0.49 -2.12 0.04 -0.08 -0.54 0.00 0.00 175.26 173.06 1k83 s THR 527 N 4.89 0.13 0.32 -1.70 -1.32 -1.26 -4.13 115.64 112.58 1k83 s THR 527 Ca 0.39 -1.09 -0.20 0.00 -1.21 0.00 0.00 61.69 59.58 1k83 s THR 527 Cb -0.04 -0.73 -0.09 0.00 -1.51 0.00 0.00 72.50 70.12 1k83 s THR 527 CO -0.01 -0.60 0.83 -2.16 -2.21 0.00 0.00 174.62 170.47 1k83 s PRO 528 N -2.29 4.25 1.07 7.08 0.04 -1.26 -4.88 135.00 139.01 1k83 s PRO 528 Ca -0.08 0.98 -0.14 0.00 0.04 0.00 0.00 61.00 61.80 1k83 s PRO 528 Cb -0.03 -2.56 0.22 0.00 0.04 0.00 0.00 34.50 32.17 1k83 s PRO 528 CO -0.03 0.20 1.09 -1.21 0.04 0.00 0.00 177.00 177.09 1k83 s GLU 529 N -2.57 -0.14 2.55 4.56 2.02 -1.26 -2.64 118.70 121.22 1k83 s GLU 529 Ca 0.52 0.36 0.00 0.00 0.02 0.00 0.00 54.97 55.87 1k83 s GLU 529 Cb -0.13 -1.68 0.00 0.00 0.10 0.00 0.00 34.13 32.41 1k83 s GLU 529 CO 0.19 -3.08 0.00 0.41 0.02 0.00 0.00 175.26 172.80 1k83 n GLY 530 N -0.95 -0.87 0.29 -1.39 0.00 -1.26 -4.21 105.19 96.79 1k83 n GLY 530 Ca 0.07 -1.20 0.02 0.00 0.00 0.00 0.00 46.02 44.91 1k83 n GLY 530 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1k83 h GLN 531 N 0.00 0.71 0.00 1.61 -0.00 -2.06 -1.55 115.11 113.83 1k83 h GLN 531 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 1k83 h GLN 531 Cb 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 27.48 27.32 1k83 h GLN 531 CO 0.00 0.47 0.00 0.00 -0.00 0.00 0.00 178.83 179.30 1k83 n ALA 532 N -2.38 2.53 -1.67 0.06 0.00 -1.26 -4.83 120.51 112.96 1k83 n ALA 532 Ca 0.12 -0.12 -0.46 0.00 0.00 0.00 0.00 53.44 52.98 1k83 n ALA 532 Cb 0.25 -1.30 -0.04 0.00 0.00 0.00 0.00 19.45 18.36 1k83 n ALA 532 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k83 n GLY 534 N 4.55 1.45 0.02 0.00 0.00 -1.26 -4.72 105.19 105.23 1k83 n GLY 534 Ca 0.22 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.28 1k83 n GLY 534 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k83 n LEU 535 N 0.00 0.00 -4.35 0.99 4.77 -0.35 -4.05 117.00 114.02 1k83 n LEU 535 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.61 1k83 n LEU 535 Cb 0.00 0.07 -0.12 0.00 -2.33 0.00 0.00 43.42 41.04 1k83 n LEU 535 CO 0.00 0.07 -0.27 -0.69 -1.33 0.00 0.00 177.39 175.18 1k83 s VAL 536 N -2.76 4.02 0.52 4.08 1.01 -0.90 -0.68 120.40 125.69 1k83 s VAL 536 Ca -0.05 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.26 1k83 s VAL 536 Cb 0.07 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 33.37 1k83 s VAL 536 CO 0.53 0.06 0.20 -0.54 0.00 0.00 0.00 175.10 175.35 1k83 s LYS 537 N 1.50 2.22 -0.02 2.72 1.02 -0.80 -4.30 119.74 122.08 1k83 s LYS 537 Ca 0.02 -2.18 -0.00 0.00 0.02 0.00 0.00 55.97 53.83 1k83 s LYS 537 Cb -0.17 -1.83 0.03 0.00 -0.52 0.00 0.00 37.83 35.34 1k83 s LYS 537 CO 0.03 -0.45 0.03 -0.80 -0.92 0.00 0.00 175.35 173.24 1k83 s ASN 538 N -4.06 0.09 0.44 2.83 0.01 -1.26 0.16 114.94 113.15 1k83 s ASN 538 Ca 0.22 0.05 -0.25 0.00 -0.71 0.00 0.00 52.86 52.17 1k83 s ASN 538 Cb 0.00 -0.06 -0.08 0.00 0.41 0.00 0.00 41.25 41.52 1k83 s ASN 538 CO 0.13 -0.13 1.33 -0.76 -1.51 0.00 0.00 177.10 176.16 1k83 s LEU 539 N 1.11 4.12 0.67 0.60 1.43 -0.94 0.11 118.68 125.77 1k83 s LEU 539 Ca -0.09 2.71 -0.12 0.00 -1.03 0.00 0.00 54.13 55.60 1k83 s LEU 539 Cb -0.13 -3.99 -0.00 0.00 0.03 0.00 0.00 46.19 42.10 1k83 s LEU 539 CO -0.03 -1.04 1.06 -0.44 0.23 0.00 0.00 176.35 176.13 1k83 s SER 540 N -0.76 5.47 0.33 2.29 0.01 -0.97 -4.44 113.70 115.62 1k83 s SER 540 Ca 0.60 1.69 0.10 0.00 1.31 0.00 0.00 55.95 59.65 1k83 s SER 540 Cb -0.39 -2.51 1.00 0.00 0.21 0.00 0.00 66.02 64.33 1k83 s SER 540 CO 0.49 -1.38 1.60 -0.07 0.41 0.00 0.00 173.24 174.28 1k83 h LEU 541 N -0.37 -0.02 -3.45 2.44 3.38 -1.38 -0.86 115.31 115.05 1k83 h LEU 541 Ca -0.45 0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1k83 h LEU 541 Cb 1.21 0.34 0.00 0.00 0.09 0.00 0.00 40.66 42.30 1k83 h LEU 541 CO 0.57 -0.33 0.00 0.23 0.09 0.00 0.00 178.44 178.99 1k83 n MET 542 N -5.32 4.36 -2.82 1.13 2.81 -1.26 -4.97 117.12 111.05 1k83 n MET 542 Ca 0.29 -3.06 -0.34 0.00 -1.81 0.00 0.00 57.70 52.79 1k83 n MET 542 Cb 0.96 -2.13 -0.07 0.00 -0.71 0.00 0.00 33.22 31.27 1k83 n MET 542 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1k83 s SER 543 N -1.03 6.99 0.19 7.83 0.01 -0.33 -4.26 113.70 123.10 1k83 s SER 543 Ca 0.52 1.70 -0.02 0.00 1.31 0.00 0.00 55.95 59.46 1k83 s SER 543 Cb 0.39 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 64.04 1k83 s SER 543 CO 0.16 -0.32 0.13 0.00 0.41 0.00 0.00 173.24 173.62 1k83 s ILE 545 N -4.13 1.17 0.46 0.00 1.01 -1.26 -1.35 121.20 117.11 1k83 s ILE 545 Ca 0.35 -0.53 -0.24 0.00 0.00 0.00 0.00 60.65 60.23 1k83 s ILE 545 Cb 0.07 -1.04 -0.09 0.00 0.01 0.00 0.00 42.46 41.41 1k83 s ILE 545 CO 0.10 0.35 1.18 -1.54 0.00 0.00 0.00 174.94 175.04 1k83 n SER 546 N 3.52 2.05 -0.01 3.58 3.41 -0.31 -4.84 113.62 121.02 1k83 n SER 546 Ca -0.21 1.03 0.10 0.00 -0.26 0.00 0.00 58.87 59.54 1k83 n SER 546 Cb 0.53 -1.46 -0.15 0.00 -0.26 0.00 0.00 64.21 62.86 1k83 n SER 546 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1k83 n VAL 547 N -0.58 0.00 0.00 -3.33 3.14 -1.26 -2.07 118.33 114.22 1k83 n VAL 547 Ca 0.09 -0.39 0.00 0.00 -2.96 0.00 0.00 64.34 61.08 1k83 n VAL 547 Cb 0.41 0.21 0.00 0.00 -1.06 0.00 0.00 33.84 33.40 1k83 n VAL 547 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1k83 n GLY 548 N 1.35 2.75 3.12 7.55 0.00 -1.26 -4.56 105.19 114.13 1k83 n GLY 548 Ca -0.02 -1.52 -0.09 0.00 0.00 0.00 0.00 46.02 44.39 1k83 n GLY 548 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k83 s THR 549 N -0.82 0.15 0.14 2.61 2.01 -0.29 -4.95 115.64 114.49 1k83 s THR 549 Ca 0.00 -1.23 -0.30 0.00 0.31 0.00 0.00 61.69 60.47 1k83 s THR 549 Cb 0.00 -1.05 -0.07 0.00 0.01 0.00 0.00 72.50 71.40 1k83 s THR 549 CO 0.00 -0.68 0.99 -0.62 -0.69 0.00 0.00 174.62 173.62 1k83 s ASP 550 N -2.35 7.46 0.19 3.53 -1.08 -1.26 -4.66 116.67 118.50 1k83 s ASP 550 Ca -0.02 1.89 0.24 0.00 -0.52 0.00 0.00 52.55 54.14 1k83 s ASP 550 Cb 0.01 -2.59 0.34 0.00 -1.46 0.00 0.00 42.92 39.22 1k83 s ASP 550 CO -0.06 -0.08 1.37 1.55 0.52 0.00 0.00 175.17 178.46 1k83 h PRO 551 N 5.30 0.00 -0.76 4.34 0.13 -2.01 -3.40 132.00 135.61 1k83 h PRO 551 Ca -0.43 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.77 1k83 h PRO 551 Cb 1.21 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.24 1k83 h PRO 551 CO 0.72 0.00 -0.56 0.52 -0.23 0.00 0.00 178.00 178.45 1k83 h MET 552 N 0.00 -0.13 -0.48 0.86 2.86 -1.98 0.24 114.93 116.30 1k83 h MET 552 Ca 0.00 0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.75 1k83 h MET 552 Cb 0.83 0.03 -0.10 0.00 0.06 0.00 0.00 31.60 32.42 1k83 h MET 552 CO 0.00 -0.09 -0.23 -1.00 1.06 0.00 0.00 176.91 176.65 1k83 h PRO 553 N -0.14 -0.12 0.10 -0.22 0.13 -2.00 0.60 132.00 130.35 1k83 h PRO 553 Ca 0.12 0.01 0.01 0.00 -0.87 0.00 0.00 66.00 65.27 1k83 h PRO 553 Cb 0.46 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 1k83 h PRO 553 CO -0.78 -0.08 -0.12 0.82 -0.23 0.00 0.00 178.00 177.61 1k83 h ILE 554 N -0.12 0.73 -0.16 -3.56 2.04 -1.56 0.94 117.51 115.81 1k83 h ILE 554 Ca 0.22 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.13 1k83 h ILE 554 Cb 0.48 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1k83 h ILE 554 CO -0.56 0.00 0.14 0.40 0.00 0.00 0.00 178.15 178.13 1k83 h ILE 555 N -0.25 0.67 0.08 -0.67 2.04 -0.37 0.24 117.51 119.24 1k83 h ILE 555 Ca 0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 1k83 h ILE 555 Cb 0.25 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1k83 h ILE 555 CO -0.04 0.00 -0.04 0.74 0.00 0.00 0.00 178.15 178.81 1k83 h THR 556 N 0.00 0.91 -0.86 -0.27 2.02 -0.16 -3.24 112.91 111.32 1k83 h THR 556 Ca 0.07 -1.43 0.15 0.00 0.77 0.00 0.00 66.41 65.97 1k83 h THR 556 Cb 0.35 1.63 -0.09 0.00 -1.74 0.00 0.00 68.15 68.30 1k83 h THR 556 CO -0.00 0.28 0.45 0.15 0.37 0.00 0.00 175.52 176.77 1k83 h PHE 557 N -0.93 0.80 -0.50 3.16 3.57 -0.10 -2.39 116.94 120.55 1k83 h PHE 557 Ca -0.01 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.62 1k83 h PHE 557 Cb 0.54 -0.23 -0.08 0.00 2.79 0.00 0.00 35.95 38.97 1k83 h PHE 557 CO 0.12 0.20 0.04 -0.07 -2.23 0.00 0.00 178.31 176.37 1k83 h LEU 558 N 0.65 -0.13 -0.30 0.59 3.38 -0.62 -0.14 115.31 118.74 1k83 h LEU 558 Ca 0.47 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.51 1k83 h LEU 558 Cb 0.65 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1k83 h LEU 558 CO -0.36 -0.03 -0.17 0.77 0.09 0.00 0.00 178.44 178.74 1k83 h SER 559 N 0.16 0.00 0.33 -0.43 4.64 -1.47 -2.30 113.55 114.48 1k83 h SER 559 Ca 0.25 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.48 1k83 h SER 559 Cb 0.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 1k83 h SER 559 CO -0.38 0.17 -0.41 -0.33 -0.87 0.00 0.00 176.83 175.01 1k83 h GLU 560 N 0.00 0.11 -0.77 4.77 5.08 -0.77 -2.99 114.58 120.01 1k83 h GLU 560 Ca -0.00 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1k83 h GLU 560 Cb 1.02 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 1k83 h GLU 560 CO 0.02 0.51 0.09 0.91 -1.00 0.00 0.00 179.01 179.54 1k83 n TRP 561 N -4.03 1.54 -0.08 4.33 7.02 -0.18 -4.90 117.44 121.13 1k83 n TRP 561 Ca -0.02 -0.67 0.00 0.00 -1.02 0.00 0.00 57.50 55.80 1k83 n TRP 561 Cb 0.46 -0.45 0.00 0.00 -2.42 0.00 0.00 31.31 28.90 1k83 n TRP 561 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1k83 n GLY 562 N 0.22 0.96 3.62 6.99 0.00 -1.13 -4.94 105.19 110.91 1k83 n GLY 562 Ca 0.23 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 1k83 n GLY 562 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1k83 s MET 563 N -0.87 3.84 0.18 1.61 0.00 -0.89 -4.65 119.30 118.52 1k83 s MET 563 Ca 0.00 0.90 -0.31 0.00 0.00 0.00 0.00 55.69 56.28 1k83 s MET 563 Cb 0.00 -3.87 -0.09 0.00 0.00 0.00 0.00 34.83 30.87 1k83 s MET 563 CO 0.00 -1.22 1.47 -1.21 0.00 0.00 0.00 175.02 174.06 1k83 s GLU 564 N 4.23 4.27 0.47 4.11 2.02 0.25 -4.63 118.70 129.41 1k83 s GLU 564 Ca 0.51 2.26 -0.24 0.00 0.02 0.00 0.00 54.97 57.52 1k83 s GLU 564 Cb -0.11 -3.17 -0.07 0.00 0.10 0.00 0.00 34.13 30.88 1k83 s GLU 564 CO 0.25 -0.49 1.25 -1.25 0.02 0.00 0.00 175.26 175.05 1k83 s PRO 565 N 0.59 3.66 0.56 0.39 0.04 -1.26 -1.43 135.00 137.56 1k83 s PRO 565 Ca 0.65 2.00 0.25 0.00 0.04 0.00 0.00 61.00 63.94 1k83 s PRO 565 Cb -0.41 -2.47 1.62 0.00 0.04 0.00 0.00 34.50 33.28 1k83 s PRO 565 CO 0.35 -0.69 2.21 1.25 0.04 0.00 0.00 177.00 180.15 1k83 h LEU 566 N 2.09 0.00 -1.80 -3.56 5.85 -1.91 -1.16 115.31 114.81 1k83 h LEU 566 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1k83 h LEU 566 Cb 1.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1k83 h LEU 566 CO 0.60 0.01 0.00 -0.33 -0.34 0.00 0.00 178.44 178.39 1k83 h GLU 567 N 0.00 0.00 -0.09 1.25 4.39 -1.91 -2.73 114.58 115.50 1k83 h GLU 567 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1k83 h GLU 567 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1k83 h GLU 567 CO 0.00 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 177.60 1k83 n ASP 568 N -3.04 2.71 -4.62 1.42 8.00 -0.45 -5.00 116.55 115.57 1k83 n ASP 568 Ca -0.00 -2.82 -0.40 0.00 0.71 0.00 0.00 54.79 52.28 1k83 n ASP 568 Cb 0.24 -0.37 -0.07 0.00 -0.02 0.00 0.00 41.12 40.90 1k83 n ASP 568 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1k83 s TYR 569 N -2.43 3.28 -0.30 1.24 5.04 -1.03 -4.94 117.35 118.22 1k83 s TYR 569 Ca 0.29 0.76 0.02 0.00 -2.44 0.00 0.00 57.07 55.70 1k83 s TYR 569 Cb 0.24 -2.81 0.07 0.00 0.35 0.00 0.00 41.96 39.81 1k83 s TYR 569 CO 0.05 -0.31 -0.03 0.08 -1.34 0.00 0.00 175.55 174.00 1k83 s VAL 570 N 2.45 2.43 0.07 3.14 1.01 -1.26 -5.04 120.40 123.20 1k83 s VAL 570 Ca 0.25 -1.79 -0.28 0.00 0.00 0.00 0.00 61.98 60.16 1k83 s VAL 570 Cb -0.16 -2.53 -0.17 0.00 0.00 0.00 0.00 36.38 33.53 1k83 s VAL 570 CO 0.09 -0.23 1.65 1.55 0.00 0.00 0.00 175.10 178.15 1k83 h PRO 571 N 7.79 -0.43 0.00 2.72 0.13 -1.88 -2.46 132.00 137.88 1k83 h PRO 571 Ca -0.15 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1k83 h PRO 571 Cb 1.04 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1k83 h PRO 571 CO 0.50 -0.27 0.09 -2.39 -0.23 0.00 0.00 178.00 175.70 1k83 n HIS 572 N -5.27 0.00 0.01 1.56 1.44 -1.26 -0.10 115.22 111.60 1k83 n HIS 572 Ca -0.10 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.69 1k83 n HIS 572 Cb 0.21 -0.38 0.19 0.00 0.12 0.00 0.00 29.99 30.13 1k83 n HIS 572 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1k83 n GLN 573 N -1.37 2.40 0.00 -1.40 6.02 -0.93 -4.75 117.38 117.35 1k83 n GLN 573 Ca 0.00 -2.12 0.00 0.00 -0.01 0.00 0.00 57.00 54.87 1k83 n GLN 573 Cb 0.09 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 29.96 1k83 n GLN 573 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1k83 n SER 574 N 1.05 0.00 -0.22 1.08 3.41 0.85 -5.01 113.62 114.77 1k83 n SER 574 Ca 0.16 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.69 1k83 n SER 574 Cb 0.50 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.48 1k83 n SER 574 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1k83 h PRO 575 N 0.00 1.01 0.00 4.33 0.13 -1.77 -2.80 132.00 132.90 1k83 h PRO 575 Ca 0.00 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1k83 h PRO 575 Cb 0.00 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.00 1k83 h PRO 575 CO 0.00 0.92 0.00 -0.25 -0.23 0.00 0.00 178.00 178.44 1k83 n ASP 576 N -4.32 0.17 -4.60 1.44 8.00 -1.26 -4.76 116.55 111.21 1k83 n ASP 576 Ca 0.04 0.58 -0.40 0.00 0.71 0.00 0.00 54.79 55.72 1k83 n ASP 576 Cb 0.25 -0.60 0.03 0.00 -0.02 0.00 0.00 41.12 40.78 1k83 n ASP 576 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k83 n ALA 577 N -1.58 0.13 -2.77 2.24 0.00 -1.06 -4.91 120.51 112.55 1k83 n ALA 577 Ca -0.00 0.12 -0.35 0.00 0.00 0.00 0.00 53.44 53.20 1k83 n ALA 577 Cb 0.01 -2.08 -0.09 0.00 0.00 0.00 0.00 19.45 17.30 1k83 n ALA 577 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1k83 s THR 578 N -1.41 4.66 -0.03 0.00 2.01 -0.67 -4.91 115.64 115.28 1k83 s THR 578 Ca 0.69 -0.10 -0.05 0.00 0.31 0.00 0.00 61.69 62.53 1k83 s THR 578 Cb -0.48 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 1k83 s THR 578 CO 0.53 0.57 0.20 0.00 -0.69 0.00 0.00 174.62 175.23 1k83 s ARG 579 N -0.58 3.49 -0.11 4.92 1.70 -0.31 -0.16 118.95 127.90 1k83 s ARG 579 Ca 0.10 -0.19 0.01 0.00 -0.47 0.00 0.00 55.73 55.18 1k83 s ARG 579 Cb -0.12 -3.11 -0.02 0.00 -0.57 0.00 0.00 34.95 31.13 1k83 s ARG 579 CO 0.02 0.69 -0.13 0.08 -1.08 0.00 0.00 175.30 174.88 1k83 s VAL 580 N -1.24 3.09 0.06 4.99 1.01 0.22 -0.76 120.40 127.78 1k83 s VAL 580 Ca 0.24 -0.66 0.10 0.00 0.00 0.00 0.00 61.98 61.66 1k83 s VAL 580 Cb -0.13 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1k83 s VAL 580 CO 0.14 0.54 -0.26 -0.36 0.00 0.00 0.00 175.10 175.16 1k83 s PHE 581 N 0.07 2.30 -0.09 5.22 0.40 0.06 -2.02 117.98 123.91 1k83 s PHE 581 Ca -0.05 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.88 1k83 s PHE 581 Cb -0.15 -1.35 0.02 0.00 0.51 0.00 0.00 43.02 42.06 1k83 s PHE 581 CO 0.04 0.17 -0.07 0.08 0.70 0.00 0.00 175.22 176.14 1k83 s VAL 582 N -0.86 0.91 -1.66 -0.44 1.01 0.54 -0.80 120.40 119.09 1k83 s VAL 582 Ca 0.12 -0.26 -0.18 0.00 0.00 0.00 0.00 61.98 61.66 1k83 s VAL 582 Cb -0.10 -0.93 0.16 0.00 0.00 0.00 0.00 36.38 35.51 1k83 s VAL 582 CO 0.03 0.34 0.74 0.59 0.00 0.00 0.00 175.10 176.80 1k83 n ASN 583 N 4.63 -3.21 0.00 3.32 3.02 -0.14 -0.22 115.26 122.66 1k83 n ASN 583 Ca -0.15 -0.96 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 1k83 n ASN 583 Cb 0.50 -2.64 0.00 0.00 -0.61 0.00 0.00 39.78 37.04 1k83 n ASN 583 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k83 n GLY 584 N -1.32 2.66 3.73 7.41 0.00 -1.26 -4.91 105.19 111.50 1k83 n GLY 584 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1k83 n GLY 584 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k83 s VAL 585 N -2.25 5.04 -0.84 1.61 1.01 0.69 -4.93 120.40 120.74 1k83 s VAL 585 Ca 0.00 1.33 -0.22 0.00 0.00 0.00 0.00 61.98 63.09 1k83 s VAL 585 Cb 0.00 -3.98 0.08 0.00 0.00 0.00 0.00 36.38 32.47 1k83 s VAL 585 CO 0.00 0.30 1.17 0.86 0.00 0.00 0.00 175.10 177.43 1k83 s TRP 586 N 0.57 2.73 0.14 5.22 -0.00 -1.26 -0.34 118.94 126.00 1k83 s TRP 586 Ca 0.34 -0.81 0.09 0.00 -0.00 0.00 0.00 56.10 55.72 1k83 s TRP 586 Cb -0.17 -4.43 0.02 0.00 -0.00 0.00 0.00 33.47 28.89 1k83 s TRP 586 CO 0.17 -1.72 1.41 0.45 -0.00 0.00 0.00 176.95 177.26 1k83 h HIS 587 N 9.45 0.00 0.00 5.86 3.86 -1.77 -3.47 115.15 129.08 1k83 h HIS 587 Ca -0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1k83 h HIS 587 Cb 1.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.51 1k83 h HIS 587 CO 1.12 0.82 0.00 0.41 0.86 0.00 0.00 177.93 181.14 1k83 n GLY 588 N 0.96 -0.82 3.34 2.45 0.00 -1.20 -3.65 105.19 106.27 1k83 n GLY 588 Ca -0.00 -0.77 -0.20 0.00 0.00 0.00 0.00 46.02 45.05 1k83 n GLY 588 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k83 s VAL 589 N -3.00 1.79 -0.21 1.61 0.11 -0.51 -0.61 120.40 119.58 1k83 s VAL 589 Ca 0.00 -2.07 -0.09 0.00 -2.93 0.00 0.00 61.98 56.89 1k83 s VAL 589 Cb 0.00 -1.94 0.08 0.00 -1.53 0.00 0.00 36.38 32.99 1k83 s VAL 589 CO 0.00 -0.45 0.47 -2.28 -3.33 0.00 0.00 175.10 169.50 1k83 s HIS 590 N -2.50 -0.82 0.61 1.54 5.04 0.77 0.86 115.29 120.78 1k83 s HIS 590 Ca 0.19 1.60 -0.09 0.00 -1.54 0.00 0.00 55.06 55.22 1k83 s HIS 590 Cb -0.03 0.38 -0.02 0.00 0.04 0.00 0.00 32.58 32.94 1k83 s HIS 590 CO 0.07 -0.46 0.98 1.03 -2.34 0.00 0.00 174.74 174.02 1k83 s ARG 591 N 2.19 3.38 -0.87 2.88 0.52 -1.26 -1.68 118.95 124.11 1k83 s ARG 591 Ca -0.05 0.52 -0.17 0.00 -0.52 0.00 0.00 55.73 55.51 1k83 s ARG 591 Cb -0.10 -2.14 0.02 0.00 0.52 0.00 0.00 34.95 33.25 1k83 s ARG 591 CO -0.14 -0.60 0.54 0.09 0.02 0.00 0.00 175.30 175.20 1k83 n ASN 592 N -2.69 -3.65 0.18 0.23 3.02 -1.26 -4.82 115.26 106.26 1k83 n ASN 592 Ca 0.05 -0.98 0.14 0.00 -0.03 0.00 0.00 54.58 53.76 1k83 n ASN 592 Cb 0.55 -1.32 0.47 0.00 -0.61 0.00 0.00 39.78 38.88 1k83 n ASN 592 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1k83 h PRO 593 N -0.99 0.00 -0.55 3.52 0.13 -1.98 -3.33 132.00 128.80 1k83 h PRO 593 Ca -0.57 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.67 1k83 h PRO 593 Cb 1.17 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.19 1k83 h PRO 593 CO 0.38 0.00 -0.22 0.00 -0.23 0.00 0.00 178.00 177.93 1k83 h ALA 594 N 2.22 0.20 0.00 -0.56 0.00 -1.95 -0.29 119.26 118.87 1k83 h ALA 594 Ca 0.00 0.19 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1k83 h ALA 594 Cb 0.59 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1k83 h ALA 594 CO 0.00 -0.54 -0.40 0.00 0.00 0.00 0.00 179.25 178.31 1k83 h ARG 595 N -0.09 0.00 -0.50 0.00 3.08 -1.96 -1.83 114.38 113.08 1k83 h ARG 595 Ca 0.25 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.18 1k83 h ARG 595 Cb 0.49 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1k83 h ARG 595 CO -0.61 0.40 -0.19 1.25 -1.07 0.00 0.00 179.97 179.75 1k83 h LEU 596 N 0.00 1.04 -0.56 3.04 5.85 -1.45 -2.00 115.31 121.24 1k83 h LEU 596 Ca -0.00 -0.39 -0.12 0.00 0.84 0.00 0.00 57.88 58.21 1k83 h LEU 596 Cb 0.78 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1k83 h LEU 596 CO 0.05 1.19 -0.13 -0.03 -0.34 0.00 0.00 178.44 179.18 1k83 h MET 597 N 0.88 1.02 -0.07 1.25 4.05 -0.75 0.12 114.93 121.43 1k83 h MET 597 Ca 0.12 -0.39 0.02 0.00 -0.28 0.00 0.00 59.70 59.17 1k83 h MET 597 Cb 0.78 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.49 1k83 h MET 597 CO 0.06 1.07 -0.06 0.93 0.23 0.00 0.00 176.91 179.15 1k83 h GLU 598 N 0.90 -0.07 0.15 0.39 5.08 -1.20 -1.18 114.58 118.64 1k83 h GLU 598 Ca 0.13 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1k83 h GLU 598 Cb 0.70 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1k83 h GLU 598 CO 0.05 -0.05 -0.08 1.15 -1.00 0.00 0.00 179.01 179.09 1k83 h THR 599 N -0.07 0.84 -0.81 1.13 2.02 -1.17 -1.50 112.91 113.35 1k83 h THR 599 Ca 0.05 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.37 1k83 h THR 599 Cb 0.15 0.84 -0.09 0.00 -1.74 0.00 0.00 68.15 67.31 1k83 h THR 599 CO -0.12 0.00 0.39 -0.07 0.37 0.00 0.00 175.52 176.10 1k83 h LEU 600 N -0.21 0.46 -0.41 2.58 3.38 -0.51 0.29 115.31 120.89 1k83 h LEU 600 Ca -0.02 0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 1k83 h LEU 600 Cb 0.16 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1k83 h LEU 600 CO 0.03 0.19 -0.23 0.03 0.09 0.00 0.00 178.44 178.55 1k83 h ARG 601 N 0.57 0.87 -0.64 1.13 3.08 -1.03 -2.06 114.38 116.30 1k83 h ARG 601 Ca 0.44 -0.39 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1k83 h ARG 601 Cb 0.62 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 1k83 h ARG 601 CO -0.36 1.04 0.32 1.15 -1.07 0.00 0.00 179.97 181.05 1k83 h THR 602 N 0.68 1.21 -0.58 2.04 2.02 -0.10 0.14 112.91 118.33 1k83 h THR 602 Ca 0.09 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 1k83 h THR 602 Cb 0.79 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 1k83 h THR 602 CO 0.07 0.24 0.32 -0.07 0.37 0.00 0.00 175.52 176.45 1k83 h LEU 603 N 0.88 0.72 -0.56 2.58 3.38 -0.42 -1.33 115.31 120.54 1k83 h LEU 603 Ca 0.22 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 1k83 h LEU 603 Cb 0.09 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1k83 h LEU 603 CO -0.03 0.60 -0.33 -0.09 0.09 0.00 0.00 178.44 178.68 1k83 h ARG 604 N 0.78 0.80 0.00 1.13 2.43 -1.03 -0.23 114.38 118.26 1k83 h ARG 604 Ca 0.20 -0.38 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1k83 h ARG 604 Cb 0.04 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1k83 h ARG 604 CO -0.03 1.01 0.00 0.54 -1.51 0.00 0.00 179.97 179.97 1k83 n ARG 605 N -4.07 0.08 -0.06 0.20 1.74 0.45 -2.79 116.66 112.20 1k83 n ARG 605 Ca -0.01 0.29 -0.03 0.00 -0.77 0.00 0.00 57.85 57.33 1k83 n ARG 605 Cb 0.50 -1.65 -0.01 0.00 -1.02 0.00 0.00 32.46 30.28 1k83 n ARG 605 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1k83 h LYS 606 N 0.00 0.00 0.00 5.56 1.57 -0.87 -2.94 116.57 119.89 1k83 h LYS 606 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1k83 h LYS 606 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1k83 h LYS 606 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 1k83 n GLY 607 N 1.68 -0.86 0.22 3.86 0.00 -0.40 -4.55 105.19 105.15 1k83 n GLY 607 Ca -0.04 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.13 1k83 n GLY 607 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1k83 h ASP 608 N 0.00 0.00 -4.13 1.61 3.32 -1.35 -3.39 116.42 112.48 1k83 h ASP 608 Ca 0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 1k83 h ASP 608 Cb 0.00 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 39.24 1k83 h ASP 608 CO 0.00 0.00 -0.86 -0.63 -1.72 0.00 0.00 179.24 176.03 1k83 s ILE 609 N -3.50 1.75 0.17 0.35 1.01 -1.12 -4.94 121.20 114.92 1k83 s ILE 609 Ca 0.03 -0.91 -0.32 0.00 0.00 0.00 0.00 60.65 59.45 1k83 s ILE 609 Cb 0.09 -1.48 -0.11 0.00 0.01 0.00 0.00 42.46 40.98 1k83 s ILE 609 CO 0.50 0.49 1.62 0.21 0.00 0.00 0.00 174.94 177.76 1k83 s ASN 610 N -0.22 6.53 0.36 3.58 3.84 -1.26 -4.35 114.94 123.42 1k83 s ASN 610 Ca 0.00 2.68 0.16 0.00 0.21 0.00 0.00 52.86 55.92 1k83 s ASN 610 Cb -0.11 -2.59 1.08 0.00 -0.55 0.00 0.00 41.25 39.08 1k83 s ASN 610 CO 0.02 -0.87 1.70 -0.65 -2.79 0.00 0.00 177.10 174.50 1k83 h PRO 611 N 6.87 0.36 -0.07 0.43 0.11 -1.89 0.50 132.00 138.32 1k83 h PRO 611 Ca -0.43 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.68 1k83 h PRO 611 Cb 1.20 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1k83 h PRO 611 CO 0.93 0.24 0.08 1.49 -0.21 0.00 0.00 178.00 180.53 1k83 h GLU 612 N 0.37 0.00 -6.56 1.05 4.81 -1.95 -3.42 114.58 108.88 1k83 h GLU 612 Ca 0.69 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 59.40 1k83 h GLU 612 Cb 1.64 0.00 0.03 0.00 0.63 0.00 0.00 28.75 31.04 1k83 h GLU 612 CO -0.49 0.00 0.73 0.08 -0.73 0.00 0.00 179.01 178.61 1k83 s VAL 613 N -4.59 3.24 -0.24 0.32 1.01 0.18 -4.93 120.40 115.38 1k83 s VAL 613 Ca -0.05 0.90 -0.10 0.00 0.00 0.00 0.00 61.98 62.73 1k83 s VAL 613 Cb 0.15 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.91 1k83 s VAL 613 CO 0.53 0.07 0.15 -0.55 0.00 0.00 0.00 175.10 175.30 1k83 s SER 614 N 1.05 6.01 -0.12 3.32 0.15 -0.44 -4.95 113.70 118.71 1k83 s SER 614 Ca 0.64 0.08 0.02 0.00 0.70 0.00 0.00 55.95 57.39 1k83 s SER 614 Cb -0.37 -2.08 0.02 0.00 -1.71 0.00 0.00 66.02 61.87 1k83 s SER 614 CO 0.31 0.06 -0.17 -0.04 1.20 0.00 0.00 173.24 174.61 1k83 s MET 615 N 1.07 2.42 -0.04 5.44 -1.94 -1.26 0.31 119.30 125.29 1k83 s MET 615 Ca 0.07 -0.63 0.03 0.00 -1.71 0.00 0.00 55.69 53.45 1k83 s MET 615 Cb -0.14 -2.06 0.00 0.00 2.01 0.00 0.00 34.83 34.65 1k83 s MET 615 CO 0.04 -0.09 -0.14 0.42 -0.01 0.00 0.00 175.02 175.25 1k83 s ILE 616 N 1.04 1.16 -0.19 2.53 1.01 0.45 -4.92 121.20 122.29 1k83 s ILE 616 Ca -0.04 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.05 1k83 s ILE 616 Cb -0.15 -1.02 0.02 0.00 0.01 0.00 0.00 42.46 41.32 1k83 s ILE 616 CO -0.04 0.35 -0.16 -0.60 0.00 0.00 0.00 174.94 174.49 1k83 s ARG 617 N 0.20 2.99 -0.62 2.79 3.52 -1.26 -0.74 118.95 125.83 1k83 s ARG 617 Ca -0.05 -0.84 -0.15 0.00 -0.13 0.00 0.00 55.73 54.55 1k83 s ARG 617 Cb -0.11 -2.68 0.15 0.00 -1.56 0.00 0.00 34.95 30.76 1k83 s ARG 617 CO 0.02 -0.24 0.57 0.34 -0.81 0.00 0.00 175.30 175.18 1k83 s ASP 618 N 1.31 6.34 0.12 -2.12 -1.08 0.38 -4.90 116.67 116.71 1k83 s ASP 618 Ca 0.04 -2.04 -0.20 0.00 -0.52 0.00 0.00 52.55 49.83 1k83 s ASP 618 Cb -0.14 -2.21 -0.07 0.00 -1.46 0.00 0.00 42.92 39.04 1k83 s ASP 618 CO -0.11 -0.78 1.76 0.40 0.52 0.00 0.00 175.17 176.97 1k83 h ILE 619 N 5.58 1.02 -0.04 4.11 2.04 -1.97 -2.10 117.51 126.15 1k83 h ILE 619 Ca -0.19 -0.07 -0.10 0.00 1.00 0.00 0.00 64.86 65.50 1k83 h ILE 619 Cb 1.08 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 1k83 h ILE 619 CO 0.96 0.04 -0.44 0.03 0.00 0.00 0.00 178.15 178.74 1k83 h ARG 620 N 0.20 0.10 -0.02 2.37 3.08 -1.95 -2.81 114.38 115.35 1k83 h ARG 620 Ca 0.07 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1k83 h ARG 620 Cb -0.00 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1k83 h ARG 620 CO -0.03 0.52 0.00 -1.91 -1.07 0.00 0.00 179.97 177.48 1k83 n GLU 621 N -4.01 1.33 -3.98 0.04 4.07 -1.14 -4.94 120.64 112.02 1k83 n GLU 621 Ca -0.02 -0.49 -0.32 0.00 -0.06 0.00 0.00 57.16 56.28 1k83 n GLU 621 Cb 0.48 -1.46 0.02 0.00 -0.06 0.00 0.00 31.44 30.41 1k83 n GLU 621 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1k83 n LYS 622 N -0.39 -5.05 -4.21 5.31 5.02 -0.84 -4.94 118.16 113.06 1k83 n LYS 622 Ca 0.20 0.55 -0.17 0.00 -2.02 0.00 0.00 58.31 56.88 1k83 n LYS 622 Cb 0.22 -5.41 -0.13 0.00 -0.02 0.00 0.00 35.03 29.69 1k83 n LYS 622 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1k83 s GLU 623 N -6.69 0.65 -0.14 1.97 2.02 -0.91 -1.16 118.70 114.45 1k83 s GLU 623 Ca 0.68 -0.58 -0.00 0.00 0.02 0.00 0.00 54.97 55.09 1k83 s GLU 623 Cb -0.35 -0.57 0.03 0.00 0.10 0.00 0.00 34.13 33.34 1k83 s GLU 623 CO 0.85 0.14 -0.08 -1.17 0.02 0.00 0.00 175.26 175.02 1k83 s LEU 624 N -0.95 1.45 -0.07 1.80 2.96 0.06 -0.47 118.68 123.46 1k83 s LEU 624 Ca -0.02 -0.48 0.05 0.00 -0.22 0.00 0.00 54.13 53.47 1k83 s LEU 624 Cb -0.07 -0.93 -0.01 0.00 0.50 0.00 0.00 46.19 45.69 1k83 s LEU 624 CO 0.00 -0.14 -0.25 -0.54 -1.32 0.00 0.00 176.35 174.11 1k83 s LYS 625 N 1.64 2.70 0.01 1.98 1.02 0.08 -0.76 119.74 126.41 1k83 s LYS 625 Ca 0.03 -0.90 0.07 0.00 0.02 0.00 0.00 55.97 55.20 1k83 s LYS 625 Cb -0.14 -2.20 -0.03 0.00 -0.52 0.00 0.00 37.83 34.95 1k83 s LYS 625 CO -0.08 0.32 -0.21 0.42 -0.92 0.00 0.00 175.35 174.88 1k83 s ILE 626 N -0.01 2.53 -0.08 2.17 1.01 0.02 -0.41 121.20 126.43 1k83 s ILE 626 Ca -0.08 -1.12 0.01 0.00 0.00 0.00 0.00 60.65 59.46 1k83 s ILE 626 Cb -0.15 -1.99 0.02 0.00 0.01 0.00 0.00 42.46 40.34 1k83 s ILE 626 CO 0.05 0.45 -0.11 -0.36 0.00 0.00 0.00 174.94 174.97 1k83 s PHE 627 N -0.79 1.51 0.00 3.97 0.40 0.15 -0.97 117.98 122.26 1k83 s PHE 627 Ca 0.12 -0.63 0.00 0.00 -0.60 0.00 0.00 56.93 55.82 1k83 s PHE 627 Cb -0.10 -1.15 0.00 0.00 0.51 0.00 0.00 43.02 42.28 1k83 s PHE 627 CO 0.02 -0.36 0.10 2.41 0.70 0.00 0.00 175.22 178.09 1k83 n THR 628 N 4.16 0.00 -1.40 0.64 -1.04 -1.26 -1.33 114.28 114.04 1k83 n THR 628 Ca -0.20 -0.45 -0.30 0.00 -2.04 0.00 0.00 64.05 61.06 1k83 n THR 628 Cb 0.51 1.02 0.10 0.00 -1.82 0.00 0.00 70.33 70.14 1k83 n THR 628 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1k83 s ASP 629 N -0.70 4.29 0.60 8.00 -4.77 -1.26 -1.13 116.67 121.70 1k83 s ASP 629 Ca 0.00 1.48 -0.08 0.00 -3.30 0.00 0.00 52.55 50.65 1k83 s ASP 629 Cb 0.00 -2.21 -0.01 0.00 -1.09 0.00 0.00 42.92 39.61 1k83 s ASP 629 CO 0.00 -2.12 0.94 0.00 0.70 0.00 0.00 175.17 174.69 1k83 s ALA 630 N -3.03 3.20 0.00 2.11 0.00 -1.26 -4.40 121.76 118.38 1k83 s ALA 630 Ca 0.61 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.10 1k83 s ALA 630 Cb -0.16 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.19 1k83 s ALA 630 CO 0.55 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.97 1k83 n GLY 631 N -2.63 0.87 3.69 0.00 0.00 -0.88 -4.87 105.19 101.37 1k83 n GLY 631 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1k83 n GLY 631 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k83 s ARG 632 N -0.63 4.42 -0.01 1.61 0.52 -1.26 -0.68 118.95 122.92 1k83 s ARG 632 Ca 0.00 1.23 -0.23 0.00 -0.52 0.00 0.00 55.73 56.21 1k83 s ARG 632 Cb 0.00 -3.52 -0.05 0.00 0.52 0.00 0.00 34.95 31.90 1k83 s ARG 632 CO 0.00 -0.21 0.68 0.08 0.02 0.00 0.00 175.30 175.87 1k83 s VAL 633 N 1.67 4.90 0.13 3.52 1.01 -1.26 -1.16 120.40 129.21 1k83 s VAL 633 Ca 0.45 1.42 -0.04 0.00 0.00 0.00 0.00 61.98 63.81 1k83 s VAL 633 Cb -0.18 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 1k83 s VAL 633 CO 0.19 0.35 0.14 -0.72 0.00 0.00 0.00 175.10 175.05 1k83 s TYR 634 N 0.17 0.62 0.18 5.22 -0.85 -0.45 -3.80 117.35 118.43 1k83 s TYR 634 Ca 0.35 -1.01 0.01 0.00 -0.52 0.00 0.00 57.07 55.91 1k83 s TYR 634 Cb -0.19 -0.29 -0.05 0.00 0.38 0.00 0.00 41.96 41.82 1k83 s TYR 634 CO 0.19 -0.58 0.03 -0.98 -1.52 0.00 0.00 175.55 172.69 1k83 s ARG 635 N -4.00 1.13 -0.08 -3.49 1.70 0.03 -0.77 118.95 113.47 1k83 s ARG 635 Ca 0.19 -1.56 -0.11 0.00 -0.47 0.00 0.00 55.73 53.78 1k83 s ARG 635 Cb 0.06 -0.15 -0.05 0.00 -0.57 0.00 0.00 34.95 34.24 1k83 s ARG 635 CO -0.01 -0.19 0.27 -1.25 -1.08 0.00 0.00 175.30 173.04 1k83 s PRO 636 N -3.97 3.79 0.10 3.89 0.04 -1.26 0.14 135.00 137.74 1k83 s PRO 636 Ca 0.27 0.12 0.05 0.00 0.04 0.00 0.00 61.00 61.47 1k83 s PRO 636 Cb 0.07 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 1k83 s PRO 636 CO 0.05 0.64 -0.12 -0.51 0.04 0.00 0.00 177.00 177.10 1k83 s LEU 637 N -0.75 2.39 0.23 -3.56 1.43 0.05 -4.65 118.68 113.82 1k83 s LEU 637 Ca 0.18 -0.79 -0.30 0.00 -1.03 0.00 0.00 54.13 52.20 1k83 s LEU 637 Cb -0.14 -0.43 -0.09 0.00 0.03 0.00 0.00 46.19 45.56 1k83 s LEU 637 CO 0.07 -0.19 1.23 -0.36 0.23 0.00 0.00 176.35 177.33 1k83 s PHE 638 N -2.17 3.35 0.14 0.29 2.99 -0.03 -1.63 117.98 120.91 1k83 s PHE 638 Ca 0.06 1.42 -0.18 0.00 0.00 0.00 0.00 56.93 58.23 1k83 s PHE 638 Cb -0.05 -3.49 -0.07 0.00 0.00 0.00 0.00 43.02 39.41 1k83 s PHE 638 CO 0.02 -1.37 0.61 0.42 -0.00 0.00 0.00 175.22 174.90 1k83 s ILE 639 N -0.41 4.71 -0.23 0.64 1.01 -0.79 -0.35 121.20 125.79 1k83 s ILE 639 Ca 0.52 1.14 -0.01 0.00 0.00 0.00 0.00 60.65 62.30 1k83 s ILE 639 Cb -0.35 -3.85 0.06 0.00 0.01 0.00 0.00 42.46 38.33 1k83 s ILE 639 CO 0.41 0.38 0.00 -0.69 0.00 0.00 0.00 174.94 175.04 1k83 s VAL 640 N -1.32 1.02 0.20 2.92 1.01 -0.75 -2.05 120.40 121.44 1k83 s VAL 640 Ca 0.35 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.41 1k83 s VAL 640 Cb -0.18 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 1k83 s VAL 640 CO 0.20 -0.22 -0.03 -1.61 0.00 0.00 0.00 175.10 173.44 1k83 s GLU 641 N 1.62 1.23 -0.28 2.72 0.41 -1.09 -4.35 118.70 118.97 1k83 s GLU 641 Ca -0.02 -1.59 0.09 0.00 -0.41 0.00 0.00 54.97 53.04 1k83 s GLU 641 Cb -0.18 -0.59 0.67 0.00 -1.78 0.00 0.00 34.13 32.24 1k83 s GLU 641 CO -0.09 -0.04 1.67 -0.40 -0.49 0.00 0.00 175.26 175.90 1k83 n ASP 642 N -0.34 4.58 0.00 -0.19 5.75 -1.26 -2.80 116.55 122.29 1k83 n ASP 642 Ca -0.07 -3.03 0.00 0.00 -0.01 0.00 0.00 54.79 51.69 1k83 n ASP 642 Cb 0.63 -0.71 0.02 0.00 -1.03 0.00 0.00 41.12 40.03 1k83 n ASP 642 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1k83 n ASP 643 N -0.01 0.00 -4.61 -1.12 8.00 -1.26 -4.43 116.55 113.12 1k83 n ASP 643 Ca 0.35 0.17 -0.40 0.00 0.71 0.00 0.00 54.79 55.63 1k83 n ASP 643 Cb 1.25 -0.19 -0.08 0.00 -0.02 0.00 0.00 41.12 42.07 1k83 n ASP 643 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1k83 s GLU 644 N -2.38 4.05 -0.02 -1.24 -6.30 -1.26 -4.99 118.70 106.55 1k83 s GLU 644 Ca 0.01 0.19 -0.12 0.00 -2.50 0.00 0.00 54.97 52.55 1k83 s GLU 644 Cb 0.01 -3.65 -0.07 0.00 0.00 0.00 0.00 34.13 30.42 1k83 s GLU 644 CO 0.01 -0.31 0.62 0.66 0.02 0.00 0.00 175.26 176.25 1k83 h SER 645 N 8.08 -0.36 -0.25 -1.70 4.64 -1.87 -3.38 113.55 118.72 1k83 h SER 645 Ca -0.30 0.01 0.10 0.00 -0.47 0.00 0.00 61.79 61.13 1k83 h SER 645 Cb 1.15 0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 63.29 1k83 h SER 645 CO 0.68 -0.06 0.13 0.18 -0.87 0.00 0.00 176.83 176.89 1k83 n LEU 646 N -4.24 0.08 0.00 5.97 4.77 -1.26 -4.28 117.00 118.05 1k83 n LEU 646 Ca -0.05 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1k83 n LEU 646 Cb 0.17 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1k83 n LEU 646 CO 0.13 -0.46 0.00 0.61 -1.33 0.00 0.00 177.39 176.34 1k83 n GLY 647 N -1.06 -0.07 0.00 -0.72 0.00 -1.26 -5.17 105.19 96.90 1k83 n GLY 647 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1k83 n GLY 647 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1k83 n HIS 648 N -2.29 0.00 -4.08 1.61 1.44 -1.26 -5.13 115.22 105.51 1k83 n HIS 648 Ca 0.00 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.36 1k83 n HIS 648 Cb 0.00 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.01 1k83 n HIS 648 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1k83 s LYS 649 N 3.22 3.81 0.16 -1.40 1.02 -1.26 -4.47 119.74 120.81 1k83 s LYS 649 Ca 0.00 -0.35 -0.02 0.00 0.02 0.00 0.00 55.97 55.61 1k83 s LYS 649 Cb 0.00 -3.13 -0.04 0.00 -0.52 0.00 0.00 37.83 34.14 1k83 s LYS 649 CO 0.00 0.35 0.12 -2.00 -0.92 0.00 0.00 175.35 172.90 1k83 s GLU 650 N 0.14 1.05 0.22 1.68 2.56 -1.12 -4.93 118.70 118.29 1k83 s GLU 650 Ca 0.04 -1.46 -0.30 0.00 0.00 0.00 0.00 54.97 53.26 1k83 s GLU 650 Cb -0.12 0.27 -0.08 0.00 2.00 0.00 0.00 34.13 36.20 1k83 s GLU 650 CO 0.01 -0.33 1.05 -0.51 -0.56 0.00 0.00 175.26 174.92 1k83 s LEU 651 N -3.07 4.55 0.57 2.70 1.43 -1.26 -2.67 118.68 120.92 1k83 s LEU 651 Ca 0.28 2.09 0.35 0.00 -1.03 0.00 0.00 54.13 55.82 1k83 s LEU 651 Cb 0.07 -3.61 1.58 0.00 0.03 0.00 0.00 46.19 44.25 1k83 s LEU 651 CO 0.05 -0.10 2.07 0.11 0.23 0.00 0.00 176.35 178.70 1k83 h LYS 652 N 4.53 0.00 -6.46 1.70 1.57 -1.69 -3.41 116.57 112.80 1k83 h LYS 652 Ca -0.45 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.79 1k83 h LYS 652 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 1k83 h LYS 652 CO 0.70 0.02 0.41 0.14 -0.57 0.00 0.00 179.45 180.15 1k83 s VAL 653 N -3.81 4.60 0.46 0.50 -7.23 -1.26 -4.97 120.40 108.69 1k83 s VAL 653 Ca -0.00 1.92 0.03 0.00 -1.81 0.00 0.00 61.98 62.12 1k83 s VAL 653 Cb 0.10 -4.23 -0.03 0.00 0.56 0.00 0.00 36.38 32.78 1k83 s VAL 653 CO 0.52 0.18 0.02 -0.13 -0.31 0.00 0.00 175.10 175.38 1k83 s ARG 654 N 0.81 2.07 0.46 4.82 1.81 -1.26 -4.23 118.95 123.43 1k83 s ARG 654 Ca 0.52 -2.27 0.13 0.00 -1.72 0.00 0.00 55.73 52.39 1k83 s ARG 654 Cb -0.23 -1.41 1.07 0.00 -0.45 0.00 0.00 34.95 33.92 1k83 s ARG 654 CO 0.29 -0.29 2.05 0.87 -0.68 0.00 0.00 175.30 177.55 1k83 h LYS 655 N 1.55 0.31 -0.31 3.54 1.79 -1.19 -1.37 116.57 120.88 1k83 h LYS 655 Ca -0.43 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 57.99 1k83 h LYS 655 Cb 1.29 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.85 1k83 h LYS 655 CO 0.74 0.20 0.03 0.78 -1.08 0.00 0.00 179.45 180.12 1k83 h GLY 656 N 0.32 0.50 0.50 3.86 0.00 -1.24 -1.42 103.07 105.59 1k83 h GLY 656 Ca 0.16 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 1k83 h GLY 656 CO -0.03 0.26 -0.08 0.45 0.00 0.00 0.00 176.54 177.13 1k83 h HIS 657 N 0.46 0.15 -0.21 5.60 3.86 -1.46 -3.03 115.15 120.51 1k83 h HIS 657 Ca 0.10 -0.06 0.03 0.00 -1.16 0.00 0.00 60.37 59.29 1k83 h HIS 657 Cb 0.25 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 1k83 h HIS 657 CO 0.01 0.68 0.14 0.82 0.86 0.00 0.00 177.93 180.44 1k83 h ILE 658 N -0.43 0.98 -0.33 2.45 2.04 -1.24 -1.15 117.51 119.82 1k83 h ILE 658 Ca -0.00 -0.05 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 1k83 h ILE 658 Cb 0.68 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1k83 h ILE 658 CO 0.02 0.03 0.05 0.00 0.00 0.00 0.00 178.15 178.25 1k83 h ALA 659 N 1.89 0.44 -0.66 1.87 0.00 -1.24 -0.85 119.26 120.70 1k83 h ALA 659 Ca 0.09 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1k83 h ALA 659 Cb 0.17 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1k83 h ALA 659 CO -0.01 0.13 0.22 0.87 0.00 0.00 0.00 179.25 180.46 1k83 h LYS 660 N 0.37 1.00 0.78 0.00 1.57 -1.14 0.54 116.57 119.71 1k83 h LYS 660 Ca 0.10 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 1k83 h LYS 660 Cb 0.35 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.51 1k83 h LYS 660 CO 0.01 0.85 -0.40 -0.07 -0.57 0.00 0.00 179.45 179.27 1k83 h LEU 661 N 0.97 -0.95 -2.05 2.94 3.38 -1.01 -1.21 115.31 117.38 1k83 h LEU 661 Ca 0.22 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 1k83 h LEU 661 Cb 0.26 0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1k83 h LEU 661 CO -0.01 -0.66 -0.09 0.24 0.09 0.00 0.00 178.44 178.01 1k83 h MET 662 N -1.08 0.00 -0.46 1.13 2.86 -0.98 -1.63 114.93 114.77 1k83 h MET 662 Ca -0.11 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.48 1k83 h MET 662 Cb 0.84 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.48 1k83 h MET 662 CO 0.16 0.09 0.07 0.00 1.06 0.00 0.00 176.91 178.29 1k83 h ALA 663 N 1.91 0.61 0.00 6.32 0.00 0.73 -0.87 119.26 127.97 1k83 h ALA 663 Ca -0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1k83 h ALA 663 Cb 0.26 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1k83 h ALA 663 CO 0.01 0.35 -0.35 1.15 0.00 0.00 0.00 179.25 180.41 1k83 h THR 664 N 0.63 0.79 0.00 0.00 2.02 -0.41 -2.83 112.91 113.12 1k83 h THR 664 Ca 0.14 -1.49 0.00 0.00 0.77 0.00 0.00 66.41 65.83 1k83 h THR 664 Cb 0.40 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 1k83 h THR 664 CO 0.01 0.34 0.00 -0.62 0.37 0.00 0.00 175.52 175.62 1k83 n GLU 665 N -3.46 0.00 -0.42 6.66 1.02 -0.69 -3.23 120.64 120.52 1k83 n GLU 665 Ca 0.00 0.32 0.34 0.00 -0.02 0.00 0.00 57.16 57.80 1k83 n GLU 665 Cb 0.51 -1.19 0.54 0.00 -0.02 0.00 0.00 31.44 31.28 1k83 n GLU 665 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1k83 n TYR 666 N -1.47 0.32 0.72 -0.32 9.36 -0.38 0.06 117.16 125.44 1k83 n TYR 666 Ca 0.00 0.32 0.00 0.00 3.32 0.00 0.00 57.90 61.54 1k83 n TYR 666 Cb 0.00 -0.71 0.00 0.00 -0.63 0.00 0.00 39.34 38.00 1k83 n TYR 666 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1k83 n GLN 667 N -3.88 0.72 0.00 2.98 6.02 -1.07 -5.11 117.38 117.05 1k83 n GLN 667 Ca 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.30 1k83 n GLN 667 Cb 1.29 -1.29 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1k83 n GLN 667 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1k83 n ASP 668 N 0.31 0.55 -3.38 1.08 8.00 0.11 -5.07 116.55 118.15 1k83 n ASP 668 Ca 0.00 -1.08 -0.14 0.00 0.71 0.00 0.00 54.79 54.28 1k83 n ASP 668 Cb 0.24 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.25 1k83 n ASP 668 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1k83 s GLU 678 N -0.08 0.33 -0.43 -1.24 2.12 -1.26 -5.18 118.70 112.96 1k83 s GLU 678 Ca 0.00 0.11 -0.22 0.00 0.36 0.00 0.00 54.97 55.22 1k83 s GLU 678 Cb 0.00 -0.61 0.02 0.00 0.26 0.00 0.00 34.13 33.80 1k83 s GLU 678 CO 0.00 -0.90 0.73 -0.47 -0.54 0.00 0.00 175.26 174.08 1k83 s TYR 679 N 2.44 3.04 0.44 5.30 5.04 -1.26 -4.97 117.35 127.38 1k83 s TYR 679 Ca 0.10 0.17 0.06 0.00 -2.44 0.00 0.00 57.07 54.96 1k83 s TYR 679 Cb -0.14 -3.49 -0.03 0.00 0.35 0.00 0.00 41.96 38.64 1k83 s TYR 679 CO -0.26 -0.89 0.20 0.99 -1.34 0.00 0.00 175.55 174.25 1k83 s THR 680 N 3.08 2.08 0.27 4.34 2.01 -1.26 -4.61 115.64 121.55 1k83 s THR 680 Ca 0.27 -1.69 -0.01 0.00 0.31 0.00 0.00 61.69 60.57 1k83 s THR 680 Cb -0.13 -2.77 0.26 0.00 0.01 0.00 0.00 72.50 69.87 1k83 s THR 680 CO 0.20 0.00 1.85 -0.25 -0.69 0.00 0.00 174.62 175.73 1k83 h TRP 681 N 1.30 1.11 -0.15 4.92 2.91 -1.95 0.15 115.95 124.23 1k83 h TRP 681 Ca -0.42 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 59.62 1k83 h TRP 681 Cb 1.27 -0.35 -0.01 0.00 -0.51 0.00 0.00 29.16 29.55 1k83 h TRP 681 CO 0.78 0.50 0.04 0.77 -1.03 0.00 0.00 178.44 179.50 1k83 h SER 682 N 1.03 0.19 0.02 2.65 0.02 -1.95 -1.56 113.55 113.94 1k83 h SER 682 Ca 0.45 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.39 1k83 h SER 682 Cb 0.33 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1k83 h SER 682 CO -0.22 0.20 -0.01 0.28 -1.14 0.00 0.00 176.83 175.93 1k83 h SER 683 N 0.21 -0.03 -0.72 3.07 0.02 -1.35 0.14 113.55 114.90 1k83 h SER 683 Ca 0.05 -0.01 0.10 0.00 -0.84 0.00 0.00 61.79 61.09 1k83 h SER 683 Cb 0.09 0.01 -0.08 0.00 0.14 0.00 0.00 62.40 62.56 1k83 h SER 683 CO -0.00 -0.00 0.34 -0.07 -1.14 0.00 0.00 176.83 175.96 1k83 h LEU 684 N -0.05 0.43 -0.09 5.07 3.38 -1.03 0.11 115.31 123.14 1k83 h LEU 684 Ca -0.00 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1k83 h LEU 684 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1k83 h LEU 684 CO 0.01 0.23 0.03 -0.07 0.09 0.00 0.00 178.44 178.73 1k83 h LEU 685 N 0.57 0.12 -1.69 1.67 3.38 -0.96 -1.35 115.31 117.06 1k83 h LEU 685 Ca 0.36 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1k83 h LEU 685 Cb 0.41 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1k83 h LEU 685 CO -0.29 0.28 -0.04 0.78 0.09 0.00 0.00 178.44 179.26 1k83 h ASN 686 N -0.04 0.13 -0.55 -0.43 2.35 0.21 -2.55 115.58 114.70 1k83 h ASN 686 Ca 0.03 -0.01 -0.21 0.00 -0.55 0.00 0.00 56.30 55.56 1k83 h ASN 686 Cb 0.20 -0.03 -0.12 0.00 0.05 0.00 0.00 38.32 38.42 1k83 h ASN 686 CO -0.00 0.19 0.26 -0.62 -1.65 0.00 0.00 177.43 175.62 1k83 n GLU 687 N -4.41 2.50 -3.06 0.81 1.02 0.30 -4.38 120.64 113.43 1k83 n GLU 687 Ca -0.01 -2.01 -0.19 0.00 -0.02 0.00 0.00 57.16 54.92 1k83 n GLU 687 Cb 0.17 -1.86 -0.00 0.00 -0.02 0.00 0.00 31.44 29.73 1k83 n GLU 687 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k83 n GLY 688 N -0.20 -0.49 0.09 0.62 0.00 -0.96 -4.85 105.19 99.39 1k83 n GLY 688 Ca 0.31 0.07 -0.08 0.00 0.00 0.00 0.00 46.02 46.32 1k83 n GLY 688 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k83 n LEU 689 N -3.46 0.61 -4.09 0.99 4.77 -0.52 -4.83 117.00 110.47 1k83 n LEU 689 Ca -0.06 0.29 -0.12 0.00 -0.03 0.00 0.00 56.01 56.09 1k83 n LEU 689 Cb 0.57 0.26 -0.11 0.00 -2.33 0.00 0.00 43.42 41.80 1k83 n LEU 689 CO 0.40 0.40 -0.40 -0.69 -1.33 0.00 0.00 177.39 175.77 1k83 s VAL 690 N -2.60 0.55 0.10 4.08 1.01 -1.21 -1.88 120.40 120.45 1k83 s VAL 690 Ca -0.06 -1.30 0.02 0.00 0.00 0.00 0.00 61.98 60.64 1k83 s VAL 690 Cb 0.08 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1k83 s VAL 690 CO 0.83 -0.52 -0.07 -1.61 0.00 0.00 0.00 175.10 173.72 1k83 s GLU 691 N -2.19 0.84 -0.05 2.72 2.02 -0.65 -4.55 118.70 116.84 1k83 s GLU 691 Ca -0.04 -1.30 -0.09 0.00 0.02 0.00 0.00 54.97 53.56 1k83 s GLU 691 Cb -0.06 -0.29 -0.05 0.00 0.10 0.00 0.00 34.13 33.84 1k83 s GLU 691 CO -0.01 0.01 0.24 0.71 0.02 0.00 0.00 175.26 176.23 1k83 s TYR 692 N -3.34 3.62 -0.06 1.61 4.12 -1.26 -0.77 117.35 121.27 1k83 s TYR 692 Ca 0.10 0.66 -0.02 0.00 0.02 0.00 0.00 57.07 57.83 1k83 s TYR 692 Cb 0.03 -2.04 0.04 0.00 -1.52 0.00 0.00 41.96 38.47 1k83 s TYR 692 CO -0.03 0.68 0.12 0.42 0.02 0.00 0.00 175.55 176.76 1k83 s ILE 693 N -1.12 -0.09 0.32 2.71 1.01 0.37 -4.92 121.20 119.48 1k83 s ILE 693 Ca 0.21 0.23 0.03 0.00 0.00 0.00 0.00 60.65 61.12 1k83 s ILE 693 Cb -0.14 -0.22 -0.02 0.00 0.01 0.00 0.00 42.46 42.09 1k83 s ILE 693 CO 0.10 0.09 0.49 1.51 0.00 0.00 0.00 174.94 177.13 1k83 s ASP 694 N 1.39 6.17 0.30 3.58 1.47 -1.26 -0.79 116.67 127.53 1k83 s ASP 694 Ca -0.06 0.17 0.05 0.00 1.18 0.00 0.00 52.55 53.89 1k83 s ASP 694 Cb -0.12 -1.74 0.77 0.00 -0.34 0.00 0.00 42.92 41.49 1k83 s ASP 694 CO -0.05 -0.31 1.68 0.00 0.68 0.00 0.00 175.17 177.17 1k83 h ALA 695 N 0.87 1.47 -0.34 2.11 0.00 -1.90 0.15 119.26 121.62 1k83 h ALA 695 Ca -0.49 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1k83 h ALA 695 Cb 1.23 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1k83 h ALA 695 CO 0.59 -0.39 0.22 1.49 0.00 0.00 0.00 179.25 181.16 1k83 h GLU 696 N 0.36 0.45 -0.07 0.00 4.57 -1.91 -2.46 114.58 115.52 1k83 h GLU 696 Ca 0.58 -0.03 -0.16 0.00 -1.18 0.00 0.00 59.36 58.57 1k83 h GLU 696 Cb 1.15 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.63 1k83 h GLU 696 CO -0.56 0.31 -0.65 1.49 -1.18 0.00 0.00 179.01 178.42 1k83 h GLU 697 N 0.45 0.27 -0.26 1.92 4.81 -1.64 -2.76 114.58 117.38 1k83 h GLU 697 Ca 0.12 -0.20 0.08 0.00 -0.13 0.00 0.00 59.36 59.23 1k83 h GLU 697 Cb -0.04 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1k83 h GLU 697 CO -0.03 0.82 0.41 1.49 -0.73 0.00 0.00 179.01 180.98 1k83 h GLU 698 N 0.20 0.00 -0.94 1.92 4.81 -0.27 -0.58 114.58 119.71 1k83 h GLU 698 Ca -0.01 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1k83 h GLU 698 Cb 1.17 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.51 1k83 h GLU 698 CO 0.10 0.00 0.56 0.93 -0.73 0.00 0.00 179.01 179.88 1k83 h GLU 699 N 0.00 1.27 -0.24 1.92 4.39 -1.33 -3.12 114.58 117.47 1k83 h GLU 699 Ca 0.12 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1k83 h GLU 699 Cb 0.94 -0.27 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1k83 h GLU 699 CO -0.00 0.89 0.00 -1.13 -1.16 0.00 0.00 179.01 177.61 1k83 n SER 700 N -4.35 1.48 -4.56 1.42 3.41 -0.23 -4.95 113.62 105.83 1k83 n SER 700 Ca 0.10 -1.88 -0.26 0.00 -0.26 0.00 0.00 58.87 56.57 1k83 n SER 700 Cb 0.06 -0.16 -0.11 0.00 -0.26 0.00 0.00 64.21 63.74 1k83 n SER 700 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1k83 s ILE 701 N -1.69 1.88 -0.15 -1.33 -4.36 -1.18 -5.04 121.20 109.33 1k83 s ILE 701 Ca 0.23 -2.04 0.02 0.00 -0.26 0.00 0.00 60.65 58.60 1k83 s ILE 701 Cb 0.12 -2.87 0.02 0.00 1.25 0.00 0.00 42.46 40.98 1k83 s ILE 701 CO 0.17 -0.06 -0.19 -0.22 0.24 0.00 0.00 174.94 174.89 1k83 s LEU 702 N -3.64 1.96 -0.14 0.37 2.96 -1.26 -5.03 118.68 113.90 1k83 s LEU 702 Ca 0.34 -0.56 -0.04 0.00 -0.22 0.00 0.00 54.13 53.65 1k83 s LEU 702 Cb 0.08 -1.34 -0.03 0.00 0.50 0.00 0.00 46.19 45.40 1k83 s LEU 702 CO 0.17 0.02 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.58 1k83 s ILE 703 N 1.11 4.19 0.02 6.68 1.01 -1.26 -1.92 121.20 131.03 1k83 s ILE 703 Ca -0.01 -0.26 -0.23 0.00 0.00 0.00 0.00 60.65 60.15 1k83 s ILE 703 Cb -0.14 -2.83 -0.05 0.00 0.01 0.00 0.00 42.46 39.45 1k83 s ILE 703 CO -0.07 0.51 0.69 0.00 0.00 0.00 0.00 174.94 176.08 1k83 s ALA 704 N 0.04 3.42 -0.04 9.38 0.00 -0.64 -4.94 121.76 128.99 1k83 s ALA 704 Ca 0.02 0.17 -0.26 0.00 0.00 0.00 0.00 51.96 51.89 1k83 s ALA 704 Cb -0.13 -2.88 -0.21 0.00 0.00 0.00 0.00 23.12 19.90 1k83 s ALA 704 CO 0.02 0.10 1.18 1.98 0.00 0.00 0.00 175.76 179.04 1k83 h MET 705 N 5.68 0.06 -6.27 0.00 4.05 -1.92 0.29 114.93 116.81 1k83 h MET 705 Ca -0.44 -0.04 -0.69 0.00 -0.28 0.00 0.00 59.70 58.24 1k83 h MET 705 Cb 1.20 0.01 -0.30 0.00 -0.80 0.00 0.00 31.60 31.71 1k83 h MET 705 CO 0.70 0.64 -0.87 -0.65 0.23 0.00 0.00 176.91 176.96 1k83 s GLN 706 N -3.85 2.39 0.35 0.39 -0.21 -1.26 -4.26 119.66 113.22 1k83 s GLN 706 Ca -0.16 -0.89 0.24 0.00 0.02 0.00 0.00 55.36 54.57 1k83 s GLN 706 Cb 0.01 -2.15 1.29 0.00 1.00 0.00 0.00 33.01 33.17 1k83 s GLN 706 CO 0.69 0.47 1.73 -1.00 -2.12 0.00 0.00 175.29 175.06 1k83 h PRO 707 N 5.77 0.00 0.00 2.91 0.13 -1.86 -0.77 132.00 138.18 1k83 h PRO 707 Ca -0.38 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.71 1k83 h PRO 707 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1k83 h PRO 707 CO 0.48 0.00 -0.19 0.93 -0.23 0.00 0.00 178.00 178.99 1k83 h GLU 708 N 0.00 0.00 -1.52 0.86 5.08 -1.94 -3.15 114.58 113.91 1k83 h GLU 708 Ca 0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 1k83 h GLU 708 Cb 0.00 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.12 1k83 h GLU 708 CO 0.00 0.19 0.41 -0.40 -1.00 0.00 0.00 179.01 178.21 1k83 n ASP 709 N -3.20 6.35 -0.21 1.42 5.68 -0.29 -2.37 116.55 123.92 1k83 n ASP 709 Ca 0.02 -3.04 0.02 0.00 -0.50 0.00 0.00 54.79 51.29 1k83 n ASP 709 Cb 0.53 -1.05 0.04 0.00 -1.14 0.00 0.00 41.12 39.51 1k83 n ASP 709 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1k83 n LEU 710 N 0.35 1.93 -4.79 -2.12 4.77 -1.19 -4.81 117.00 111.14 1k83 n LEU 710 Ca 0.29 -1.58 -0.34 0.00 -0.03 0.00 0.00 56.01 54.36 1k83 n LEU 710 Cb 0.59 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.62 1k83 n LEU 710 CO 0.37 0.46 0.73 -1.61 -1.33 0.00 0.00 177.39 176.01 1k83 s GLU 711 N -0.73 3.50 0.44 3.23 2.02 -1.00 -4.85 118.70 121.31 1k83 s GLU 711 Ca 0.07 1.34 0.20 0.00 0.02 0.00 0.00 54.97 56.61 1k83 s GLU 711 Cb 0.04 -2.05 1.01 0.00 0.10 0.00 0.00 34.13 33.23 1k83 s GLU 711 CO 0.06 -0.68 1.90 -1.00 0.02 0.00 0.00 175.26 175.56 1k83 h PRO 712 N 0.99 0.00 -0.34 0.39 0.13 -1.95 -3.50 132.00 127.72 1k83 h PRO 712 Ca -0.48 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.55 1k83 h PRO 712 Cb 1.23 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 1k83 h PRO 712 CO 0.58 0.26 -0.10 -0.25 -0.23 0.00 0.00 178.00 178.26 1k83 n ASP 722 N -3.76 -3.26 -4.06 1.44 8.00 -1.26 -5.12 116.55 108.54 1k83 n ASP 722 Ca -0.01 0.09 -0.24 0.00 0.71 0.00 0.00 54.79 55.34 1k83 n ASP 722 Cb 0.36 -1.53 -0.16 0.00 -0.02 0.00 0.00 41.12 39.77 1k83 n ASP 722 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1k83 s VAL 723 N -2.20 1.15 -0.31 2.53 1.01 -1.26 -5.08 120.40 116.25 1k83 s VAL 723 Ca 0.00 -0.54 -0.33 0.00 0.00 0.00 0.00 61.98 61.11 1k83 s VAL 723 Cb 0.00 -1.02 -0.09 0.00 0.00 0.00 0.00 36.38 35.27 1k83 s VAL 723 CO 0.00 0.35 2.20 -0.67 0.00 0.00 0.00 175.10 176.98 1k83 n ASP 724 N 3.40 2.48 0.24 3.32 -0.08 -1.26 -4.82 116.55 119.83 1k83 n ASP 724 Ca -0.20 0.35 0.17 0.00 -1.51 0.00 0.00 54.79 53.60 1k83 n ASP 724 Cb 0.53 -1.35 0.81 0.00 2.34 0.00 0.00 41.12 43.44 1k83 n ASP 724 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1k83 h PRO 725 N 13.17 0.00 0.00 -0.67 0.13 -2.01 -2.80 132.00 139.82 1k83 h PRO 725 Ca -0.31 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.68 1k83 h PRO 725 Cb 1.30 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 1k83 h PRO 725 CO 1.00 0.00 -0.71 0.00 -0.23 0.00 0.00 178.00 178.06 1k83 h ALA 726 N 2.05 0.60 -2.25 -0.56 0.00 -2.02 -3.46 119.26 113.62 1k83 h ALA 726 Ca 0.00 -0.61 -0.47 0.00 0.00 0.00 0.00 54.91 53.83 1k83 h ALA 726 Cb 0.19 -0.06 0.19 0.00 0.00 0.00 0.00 17.79 18.10 1k83 h ALA 726 CO 0.00 0.81 0.14 0.15 0.00 0.00 0.00 179.25 180.35 1k83 s LYS 727 N -2.89 0.24 0.38 0.00 1.02 -1.06 -4.89 119.74 112.54 1k83 s LYS 727 Ca 0.03 0.97 -0.12 0.00 0.02 0.00 0.00 55.97 56.87 1k83 s LYS 727 Cb 0.08 -1.68 -0.07 0.00 -0.52 0.00 0.00 37.83 35.64 1k83 s LYS 727 CO 0.77 -2.98 0.76 -0.98 -0.92 0.00 0.00 175.35 172.00 1k83 s ARG 728 N -4.68 3.86 0.20 1.68 1.70 -1.26 -5.03 118.95 115.42 1k83 s ARG 728 Ca 0.66 0.55 -0.30 0.00 -0.47 0.00 0.00 55.73 56.17 1k83 s ARG 728 Cb -0.22 -2.40 -0.08 0.00 -0.57 0.00 0.00 34.95 31.68 1k83 s ARG 728 CO 0.60 0.03 0.96 0.42 -1.08 0.00 0.00 175.30 176.22 1k83 s ILE 729 N -2.24 4.17 0.30 4.99 1.01 -1.26 -5.06 121.20 123.11 1k83 s ILE 729 Ca 0.52 2.05 0.05 0.00 0.00 0.00 0.00 60.65 63.28 1k83 s ILE 729 Cb -0.10 -4.31 -0.06 0.00 0.01 0.00 0.00 42.46 38.00 1k83 s ILE 729 CO 0.27 0.44 -0.01 -0.13 0.00 0.00 0.00 174.94 175.51 1k83 s ARG 730 N -0.84 1.60 0.49 2.79 0.52 -1.26 -5.16 118.95 117.10 1k83 s ARG 730 Ca 0.43 -1.85 0.06 0.00 -0.52 0.00 0.00 55.73 53.86 1k83 s ARG 730 Cb -0.26 -1.05 0.03 0.00 0.52 0.00 0.00 34.95 34.20 1k83 s ARG 730 CO 0.32 -0.06 0.67 0.08 0.02 0.00 0.00 175.30 176.33 1k83 s VAL 731 N -3.12 2.74 0.95 3.52 1.01 -1.26 -5.12 120.40 119.12 1k83 s VAL 731 Ca 0.32 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 61.25 1k83 s VAL 731 Cb 0.06 -2.83 0.17 0.00 0.00 0.00 0.00 36.38 33.78 1k83 s VAL 731 CO 0.13 0.00 1.20 -0.94 0.00 0.00 0.00 175.10 175.49 1k83 s SER 732 N -4.44 3.18 -0.45 3.32 1.04 -1.26 -5.02 113.70 110.07 1k83 s SER 732 Ca 0.57 0.66 0.04 0.00 0.48 0.00 0.00 55.95 57.70 1k83 s SER 732 Cb -0.09 -1.00 0.48 0.00 0.10 0.00 0.00 66.02 65.51 1k83 s SER 732 CO 0.36 -2.73 1.62 0.00 0.98 0.00 0.00 173.24 173.47 1k83 n HIS 733 N -3.83 2.65 -0.20 5.02 1.44 -1.26 -4.88 115.22 114.15 1k83 n HIS 733 Ca 0.11 -2.40 -0.04 0.00 -2.01 0.00 0.00 57.72 53.38 1k83 n HIS 733 Cb 0.60 -0.85 -0.02 0.00 0.12 0.00 0.00 29.99 29.84 1k83 n HIS 733 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1k83 n HIS 734 N -0.90 0.15 -3.79 -1.40 8.25 -1.26 -4.67 115.22 111.60 1k83 n HIS 734 Ca 0.50 -0.51 -0.26 0.00 -0.26 0.00 0.00 57.72 57.19 1k83 n HIS 734 Cb 0.91 -0.73 -0.17 0.00 1.12 0.00 0.00 29.99 31.12 1k83 n HIS 734 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1k83 s ALA 735 N 3.28 1.02 -0.42 -1.41 0.00 -1.26 -4.92 121.76 118.06 1k83 s ALA 735 Ca 0.12 -0.52 0.14 0.00 0.00 0.00 0.00 51.96 51.70 1k83 s ALA 735 Cb 0.05 -1.00 0.39 0.00 0.00 0.00 0.00 23.12 22.56 1k83 s ALA 735 CO -0.00 -0.80 1.31 2.41 0.00 0.00 0.00 175.76 178.68 1k83 n THR 736 N 5.04 1.72 0.34 0.00 -1.04 -1.26 -4.46 114.28 114.61 1k83 n THR 736 Ca -0.09 -1.55 0.04 0.00 -2.04 0.00 0.00 64.05 60.40 1k83 n THR 736 Cb 0.48 0.06 -0.01 0.00 -1.82 0.00 0.00 70.33 69.04 1k83 n THR 736 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1k83 n THR 737 N -0.25 0.00 -1.53 12.58 -1.04 -1.26 -5.05 114.28 117.73 1k83 n THR 737 Ca 0.16 -0.39 -0.60 0.00 -2.04 0.00 0.00 64.05 61.18 1k83 n THR 737 Cb 0.66 1.06 -0.08 0.00 -1.82 0.00 0.00 70.33 70.15 1k83 n THR 737 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1k83 n PHE 738 N -0.57 0.81 -0.00 -1.42 0.99 -1.26 -4.77 117.46 111.24 1k83 n PHE 738 Ca 0.03 1.06 0.04 0.00 -0.00 0.00 0.00 57.45 58.58 1k83 n PHE 738 Cb 0.15 -2.12 -0.07 0.00 -1.00 0.00 0.00 39.48 36.44 1k83 n PHE 738 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1k83 n THR 739 N 1.85 0.00 -4.04 4.37 -2.24 -0.81 -4.75 114.28 108.65 1k83 n THR 739 Ca 0.21 -0.20 -0.10 0.00 -2.27 0.00 0.00 64.05 61.69 1k83 n THR 739 Cb 0.07 0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 68.54 1k83 n THR 739 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1k83 s HIS 740 N -2.60 0.60 -0.08 4.78 3.76 -1.13 -1.81 115.29 118.81 1k83 s HIS 740 Ca -0.03 -0.92 -0.06 0.00 -0.15 0.00 0.00 55.06 53.90 1k83 s HIS 740 Cb 0.06 0.03 0.03 0.00 1.11 0.00 0.00 32.58 33.81 1k83 s HIS 740 CO 0.36 -0.96 0.20 0.00 -0.85 0.00 0.00 174.74 173.49 1k83 n GLU 742 N 3.60 2.57 -0.07 0.00 -0.58 0.09 -0.85 120.64 125.41 1k83 n GLU 742 Ca -0.19 0.90 -0.13 0.00 -0.42 0.00 0.00 57.16 57.32 1k83 n GLU 742 Cb 0.56 -2.61 -0.06 0.00 -0.57 0.00 0.00 31.44 28.75 1k83 n GLU 742 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1k83 h ILE 743 N 2.86 1.32 -0.81 -3.67 2.04 -1.88 -3.43 117.51 113.95 1k83 h ILE 743 Ca -0.50 -1.27 0.19 0.00 1.00 0.00 0.00 64.86 64.29 1k83 h ILE 743 Cb 1.25 1.73 -0.25 0.00 -0.74 0.00 0.00 36.82 38.82 1k83 h ILE 743 CO 0.64 0.38 0.29 -2.28 0.00 0.00 0.00 178.15 177.18 1k83 s HIS 744 N -4.43 -0.55 0.56 1.37 2.46 -1.26 -4.75 115.29 108.69 1k83 s HIS 744 Ca -0.14 0.95 0.31 0.00 0.47 0.00 0.00 55.06 56.64 1k83 s HIS 744 Cb 0.06 0.33 1.46 0.00 -0.13 0.00 0.00 32.58 34.30 1k83 s HIS 744 CO 0.77 -0.27 1.87 -1.00 -2.47 0.00 0.00 174.74 173.63 1k83 h PRO 745 N 7.41 0.00 0.00 2.88 0.13 -1.87 -0.72 132.00 139.83 1k83 h PRO 745 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1k83 h PRO 745 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1k83 h PRO 745 CO 0.08 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 176.72 1k83 n SER 746 N -4.02 0.00 -0.45 1.44 3.41 -1.26 -2.47 113.62 110.27 1k83 n SER 746 Ca 0.15 -0.53 0.12 0.00 -0.26 0.00 0.00 58.87 58.35 1k83 n SER 746 Cb 0.88 0.00 0.49 0.00 -0.26 0.00 0.00 64.21 65.32 1k83 n SER 746 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1k83 n MET 747 N -0.98 1.60 0.21 4.33 2.81 -0.28 -3.37 117.12 121.45 1k83 n MET 747 Ca 0.12 -0.89 0.11 0.00 -1.81 0.00 0.00 57.70 55.22 1k83 n MET 747 Cb 0.05 -1.43 0.28 0.00 -0.71 0.00 0.00 33.22 31.42 1k83 n MET 747 CO 0.00 0.00 0.00 -0.84 1.51 0.00 0.00 175.97 176.64 1k83 h ILE 748 N 1.96 0.28 -4.18 2.02 3.07 -1.72 -3.34 117.51 115.59 1k83 h ILE 748 Ca 0.00 -1.20 -0.50 0.00 1.55 0.00 0.00 64.86 64.72 1k83 h ILE 748 Cb 0.42 1.96 0.07 0.00 -0.27 0.00 0.00 36.82 39.01 1k83 h ILE 748 CO 0.00 0.14 0.38 -0.76 -1.05 0.00 0.00 178.15 176.87 1k83 s LEU 749 N -6.36 3.51 0.00 0.16 1.43 -1.22 -4.04 118.68 112.16 1k83 s LEU 749 Ca 0.04 1.89 0.00 0.00 -1.03 0.00 0.00 54.13 55.03 1k83 s LEU 749 Cb 0.07 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.75 1k83 s LEU 749 CO 0.66 -1.26 0.00 0.61 0.23 0.00 0.00 176.35 176.59 1k83 n GLY 750 N -0.75 0.95 0.08 -3.19 0.00 -1.26 -1.47 105.19 99.54 1k83 n GLY 750 Ca 0.09 -1.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.04 1k83 n GLY 750 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1k83 h VAL 751 N -0.21 1.26 0.26 1.61 2.07 -1.94 -2.26 116.25 117.04 1k83 h VAL 751 Ca 0.00 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 1k83 h VAL 751 Cb 0.00 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1k83 h VAL 751 CO 0.00 0.22 -0.14 0.00 0.02 0.00 0.00 177.57 177.68 1k83 h ALA 752 N 0.71 -0.36 0.00 1.67 0.00 -1.92 -2.72 119.26 116.64 1k83 h ALA 752 Ca 0.02 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1k83 h ALA 752 Cb 0.35 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1k83 h ALA 752 CO 0.00 -0.71 -0.17 0.00 0.00 0.00 0.00 179.25 178.38 1k83 h ALA 753 N 0.38 1.29 0.00 0.00 0.00 -1.92 -2.41 119.26 116.60 1k83 h ALA 753 Ca -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1k83 h ALA 753 Cb 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1k83 h ALA 753 CO 0.05 0.21 0.00 0.43 0.00 0.00 0.00 179.25 179.94 1k83 n SER 754 N -3.71 0.00 -0.00 0.00 7.64 -0.85 -1.75 113.62 114.95 1k83 n SER 754 Ca -0.02 0.13 0.08 0.00 1.01 0.00 0.00 58.87 60.07 1k83 n SER 754 Cb 0.28 -0.26 -0.09 0.00 -1.01 0.00 0.00 64.21 63.13 1k83 n SER 754 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1k83 n ILE 755 N -1.26 0.00 -2.64 0.44 5.41 -0.91 -4.27 119.36 116.13 1k83 n ILE 755 Ca 0.04 -0.12 -0.42 0.00 1.00 0.00 0.00 62.75 63.25 1k83 n ILE 755 Cb 0.07 0.99 -0.03 0.00 -0.71 0.00 0.00 39.64 39.95 1k83 n ILE 755 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1k83 s ILE 756 N -2.53 4.64 -0.07 1.39 1.01 -0.72 -4.96 121.20 119.97 1k83 s ILE 756 Ca 0.06 1.91 -0.25 0.00 0.00 0.00 0.00 60.65 62.36 1k83 s ILE 756 Cb 0.12 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 1k83 s ILE 756 CO 0.66 0.15 0.79 -2.16 0.00 0.00 0.00 174.94 174.38 1k83 s PRO 757 N 0.98 4.44 -1.23 2.79 0.04 -1.26 -4.03 135.00 136.72 1k83 s PRO 757 Ca 0.53 1.03 -0.01 0.00 0.04 0.00 0.00 61.00 62.59 1k83 s PRO 757 Cb -0.23 -3.47 -0.00 0.00 0.04 0.00 0.00 34.50 30.83 1k83 s PRO 757 CO 0.28 -0.03 0.88 1.19 0.04 0.00 0.00 177.00 179.36 1k83 n PHE 758 N 4.06 -2.09 0.28 0.56 0.99 0.15 -4.81 117.46 116.60 1k83 n PHE 758 Ca 0.01 0.89 0.16 0.00 -0.00 0.00 0.00 57.45 58.51 1k83 n PHE 758 Cb 0.51 -4.75 0.77 0.00 -1.00 0.00 0.00 39.48 35.01 1k83 n PHE 758 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 1k83 h PRO 759 N -1.84 0.00 -0.19 -1.08 0.13 -1.82 -2.29 132.00 124.91 1k83 h PRO 759 Ca -0.60 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 1k83 h PRO 759 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1k83 h PRO 759 CO 0.52 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.89 1k83 n ASP 760 N -2.62 1.04 0.00 1.44 5.75 -1.26 -2.84 116.55 118.06 1k83 n ASP 760 Ca -0.01 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 1k83 n ASP 760 Cb 0.13 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1k83 n ASP 760 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1k83 n HIS 761 N 0.06 0.00 -3.87 2.11 8.25 -0.86 -5.04 115.22 115.86 1k83 n HIS 761 Ca 0.07 -0.05 -0.29 0.00 -0.26 0.00 0.00 57.72 57.20 1k83 n HIS 761 Cb 0.17 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.24 1k83 n HIS 761 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1k83 s ASN 762 N -0.09 6.37 0.42 0.41 0.01 -1.13 -3.60 114.94 117.32 1k83 s ASN 762 Ca 0.00 0.28 -0.25 0.00 -0.71 0.00 0.00 52.86 52.18 1k83 s ASN 762 Cb 0.00 -1.96 -0.08 0.00 0.41 0.00 0.00 41.25 39.62 1k83 s ASN 762 CO 0.00 0.08 1.25 -1.58 -1.51 0.00 0.00 177.10 175.34 1k83 s GLN 763 N -2.91 3.92 0.05 -0.60 0.74 -1.17 -4.94 119.66 114.74 1k83 s GLN 763 Ca 0.36 2.02 -0.13 0.00 0.05 0.00 0.00 55.36 57.66 1k83 s GLN 763 Cb -0.12 -2.66 -0.04 0.00 1.10 0.00 0.00 33.01 31.29 1k83 s GLN 763 CO 0.28 -0.49 1.22 1.03 -0.55 0.00 0.00 175.29 176.78 1k83 h SER 764 N 2.52 -0.77 -0.11 6.67 0.87 -1.94 -2.19 113.55 118.60 1k83 h SER 764 Ca -0.49 0.10 0.03 0.00 -1.23 0.00 0.00 61.79 60.20 1k83 h SER 764 Cb 1.25 0.32 -0.00 0.00 -0.44 0.00 0.00 62.40 63.52 1k83 h SER 764 CO 0.62 -0.16 0.27 1.55 -0.53 0.00 0.00 176.83 178.58 1k83 h PRO 765 N -0.15 0.00 -0.17 2.24 0.13 -1.99 -1.38 132.00 130.68 1k83 h PRO 765 Ca 0.03 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.02 1k83 h PRO 765 Cb 0.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.36 1k83 h PRO 765 CO -0.25 0.00 -0.48 0.00 -0.23 0.00 0.00 178.00 177.04 1k83 h ARG 766 N 0.00 0.45 -0.82 0.86 2.47 -1.76 -2.01 114.38 113.57 1k83 h ARG 766 Ca 0.05 -0.25 -0.03 0.00 -1.26 0.00 0.00 59.98 58.49 1k83 h ARG 766 Cb 0.59 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.89 1k83 h ARG 766 CO -0.00 0.83 0.39 -0.91 0.56 0.00 0.00 179.97 180.84 1k83 h ASN 767 N 0.36 1.07 0.15 7.04 2.35 -1.24 -2.22 115.58 123.08 1k83 h ASN 767 Ca 0.02 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1k83 h ASN 767 Cb 0.98 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.07 1k83 h ASN 767 CO 0.09 0.91 -0.12 0.74 -1.65 0.00 0.00 177.43 177.39 1k83 h THR 768 N 1.16 0.74 -0.84 2.81 2.02 -1.52 -1.71 112.91 115.57 1k83 h THR 768 Ca 0.28 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.57 1k83 h THR 768 Cb 0.12 0.74 -0.06 0.00 -1.74 0.00 0.00 68.15 67.21 1k83 h THR 768 CO -0.03 0.00 0.55 1.88 0.37 0.00 0.00 175.52 178.28 1k83 h TYR 769 N -0.28 0.84 -0.27 3.16 0.99 -1.11 -1.57 116.97 118.73 1k83 h TYR 769 Ca -0.00 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.73 1k83 h TYR 769 Cb 0.25 -0.27 -0.01 0.00 1.00 0.00 0.00 36.73 37.70 1k83 h TYR 769 CO -0.11 0.38 0.08 0.37 -0.00 0.00 0.00 178.16 178.88 1k83 h GLN 770 N 0.77 0.42 0.00 4.88 5.75 -1.04 -2.25 115.11 123.64 1k83 h GLN 770 Ca 0.39 -0.09 0.00 0.00 -0.15 0.00 0.00 58.65 58.80 1k83 h GLN 770 Cb 0.49 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.98 1k83 h GLN 770 CO -0.16 0.48 0.10 0.77 -2.65 0.00 0.00 178.83 177.37 1k83 h SER 771 N 0.27 0.00 0.15 -0.69 0.02 -0.37 0.15 113.55 113.07 1k83 h SER 771 Ca 0.09 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.67 1k83 h SER 771 Cb 0.24 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 1k83 h SER 771 CO -0.00 0.00 -2.00 0.00 -1.14 0.00 0.00 176.83 173.69 1k83 n ALA 772 N -1.94 0.95 0.16 3.77 0.00 -0.97 -4.35 120.51 118.12 1k83 n ALA 772 Ca -0.02 -0.62 0.03 0.00 0.00 0.00 0.00 53.44 52.82 1k83 n ALA 772 Cb 0.15 -0.67 0.18 0.00 0.00 0.00 0.00 19.45 19.11 1k83 n ALA 772 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1k83 h MET 773 N 0.06 0.00 -0.60 0.00 2.07 -0.57 -3.03 114.93 112.86 1k83 h MET 773 Ca -0.42 0.00 0.05 0.00 -2.07 0.00 0.00 59.70 57.26 1k83 h MET 773 Cb 2.03 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 31.73 1k83 h MET 773 CO 0.08 0.51 0.40 0.78 1.07 0.00 0.00 176.91 179.74 1k83 h GLY 774 N 2.54 0.75 0.84 8.32 0.00 -1.23 0.17 103.07 114.46 1k83 h GLY 774 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1k83 h GLY 774 CO 0.07 0.20 0.00 0.28 0.00 0.00 0.00 176.54 177.08 1k83 n LYS 775 N -4.47 0.64 0.00 4.80 5.02 -1.14 -2.27 118.16 120.73 1k83 n LYS 775 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1k83 n LYS 775 Cb 0.20 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 1k83 n LYS 775 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1k83 n GLN 776 N -0.92 2.07 -2.57 1.97 6.02 0.58 -4.83 117.38 119.69 1k83 n GLN 776 Ca 0.13 -1.25 -0.26 0.00 -0.01 0.00 0.00 57.00 55.60 1k83 n GLN 776 Cb 0.06 -0.98 0.02 0.00 1.02 0.00 0.00 30.24 30.35 1k83 n GLN 776 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1k83 s ALA 777 N -0.76 3.41 0.02 -1.58 0.00 -0.96 -1.57 121.76 120.31 1k83 s ALA 777 Ca 0.00 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.28 1k83 s ALA 777 Cb 0.00 -2.53 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 1k83 s ALA 777 CO 0.00 -0.57 0.07 -1.64 0.00 0.00 0.00 175.76 173.62 1k83 s MET 778 N -4.83 2.99 0.00 0.00 -1.94 -0.31 -4.58 119.30 110.62 1k83 s MET 778 Ca 0.51 -0.55 0.00 0.00 -1.71 0.00 0.00 55.69 53.94 1k83 s MET 778 Cb -0.10 -2.80 0.00 0.00 2.01 0.00 0.00 34.83 33.93 1k83 s MET 778 CO 0.44 0.62 0.00 0.41 -0.01 0.00 0.00 175.02 176.48 1k83 n GLY 779 N 1.02 2.19 2.45 -0.03 0.00 -1.26 -3.91 105.19 105.65 1k83 n GLY 779 Ca -0.12 0.20 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 1k83 n GLY 779 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1k83 n VAL 780 N 0.00 -0.62 -0.51 1.61 0.31 -1.24 -1.24 118.33 116.64 1k83 n VAL 780 Ca 0.00 -2.88 0.41 0.00 -0.01 0.00 0.00 64.34 61.86 1k83 n VAL 780 Cb 0.00 -0.75 0.71 0.00 -0.91 0.00 0.00 33.84 32.89 1k83 n VAL 780 CO 0.00 0.00 0.00 2.19 -1.32 0.00 0.00 176.83 177.70 1k83 h PHE 781 N 4.66 0.34 -3.19 3.52 -5.15 -1.83 -3.42 116.94 111.88 1k83 h PHE 781 Ca 0.09 0.02 -0.02 0.00 -0.20 0.00 0.00 57.97 57.85 1k83 h PHE 781 Cb 0.95 -0.08 -0.11 0.00 0.22 0.00 0.00 35.95 36.93 1k83 h PHE 781 CO 0.23 -0.14 0.08 -0.51 -2.00 0.00 0.00 178.31 175.97 1k83 s LEU 782 N -8.96 -0.11 0.27 2.10 1.43 -1.26 -4.31 118.68 107.85 1k83 s LEU 782 Ca -0.07 -0.25 0.20 0.00 -1.03 0.00 0.00 54.13 52.99 1k83 s LEU 782 Cb 0.29 2.27 0.10 0.00 0.03 0.00 0.00 46.19 48.88 1k83 s LEU 782 CO 0.84 -0.98 1.27 0.71 0.23 0.00 0.00 176.35 178.42 1k83 h THR 783 N 2.16 0.23 -0.34 5.49 1.35 -1.97 -3.24 112.91 116.59 1k83 h THR 783 Ca -0.32 -1.37 -0.05 0.00 -0.55 0.00 0.00 66.41 64.12 1k83 h THR 783 Cb 1.28 1.91 -0.03 0.00 -1.73 0.00 0.00 68.15 69.58 1k83 h THR 783 CO 0.39 0.13 0.06 -0.46 -0.25 0.00 0.00 175.52 175.40 1k83 n ASN 784 N -2.95 3.42 0.02 5.36 6.94 -1.26 -4.46 115.26 122.34 1k83 n ASN 784 Ca 0.00 -2.54 0.19 0.00 -0.02 0.00 0.00 54.58 52.21 1k83 n ASN 784 Cb 0.62 -0.61 0.69 0.00 -2.36 0.00 0.00 39.78 38.12 1k83 n ASN 784 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 1k83 h TYR 785 N 1.75 0.00 0.00 -2.53 -0.00 -1.95 -0.74 116.97 113.49 1k83 h TYR 785 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.79 1k83 h TYR 785 Cb 1.39 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.12 1k83 h TYR 785 CO 0.61 0.00 0.00 -0.97 -0.00 0.00 0.00 178.16 177.80 1k83 h ASN 786 N 0.00 0.00 0.14 0.10 -0.73 -1.91 -3.10 115.58 110.09 1k83 h ASN 786 Ca 0.23 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.40 1k83 h ASN 786 Cb 0.93 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.52 1k83 h ASN 786 CO -0.00 0.00 -1.16 0.52 -0.37 0.00 0.00 177.43 176.42 1k83 n VAL 787 N -2.62 0.04 -3.51 2.57 0.31 -0.29 -4.94 118.33 109.89 1k83 n VAL 787 Ca 0.02 -0.16 -0.36 0.00 -0.01 0.00 0.00 64.34 63.83 1k83 n VAL 787 Cb 0.29 0.56 -0.06 0.00 -0.91 0.00 0.00 33.84 33.72 1k83 n VAL 787 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1k83 s ARG 788 N -3.15 3.86 -0.75 5.55 0.52 -1.17 -5.02 118.95 118.79 1k83 s ARG 788 Ca 0.04 0.32 0.03 0.00 -0.52 0.00 0.00 55.73 55.60 1k83 s ARG 788 Cb 0.15 -3.09 0.32 0.00 0.52 0.00 0.00 34.95 32.86 1k83 s ARG 788 CO 0.85 0.61 1.24 -1.33 0.02 0.00 0.00 175.30 176.69 1k83 n MET 789 N 1.30 3.95 -3.24 3.54 2.81 -1.26 -5.01 117.12 119.21 1k83 n MET 789 Ca -0.10 -4.78 -0.29 0.00 -1.81 0.00 0.00 57.70 50.72 1k83 n MET 789 Cb 0.52 -2.33 -0.03 0.00 -0.71 0.00 0.00 33.22 30.67 1k83 n MET 789 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 1k83 s ASP 790 N -2.65 6.45 0.21 7.83 3.84 -1.26 -4.98 116.67 126.12 1k83 s ASP 790 Ca 0.44 0.79 -0.18 0.00 -0.00 0.00 0.00 52.55 53.60 1k83 s ASP 790 Cb 0.23 -2.17 0.20 0.00 -1.38 0.00 0.00 42.92 39.79 1k83 s ASP 790 CO -0.11 -0.24 1.45 0.41 -0.00 0.00 0.00 175.17 176.68 1k83 n THR 791 N -1.03 -0.51 -4.03 2.11 -1.04 -1.26 -4.23 114.28 104.29 1k83 n THR 791 Ca -0.01 2.21 -0.09 0.00 -2.04 0.00 0.00 64.05 64.11 1k83 n THR 791 Cb 0.54 -2.89 -0.11 0.00 -1.82 0.00 0.00 70.33 66.05 1k83 n THR 791 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1k83 s MET 792 N -5.85 0.45 -0.20 -2.82 -1.94 -1.26 -2.07 119.30 105.61 1k83 s MET 792 Ca -0.13 -0.83 -0.24 0.00 -1.71 0.00 0.00 55.69 52.79 1k83 s MET 792 Cb 0.18 0.06 0.06 0.00 2.01 0.00 0.00 34.83 37.14 1k83 s MET 792 CO 0.66 -0.05 0.64 0.00 -0.01 0.00 0.00 175.02 176.26 1k83 s ALA 793 N -2.20 -1.60 -0.07 3.03 0.00 0.14 -4.96 121.76 116.10 1k83 s ALA 793 Ca -0.08 1.68 -0.00 0.00 0.00 0.00 0.00 51.96 53.56 1k83 s ALA 793 Cb -0.05 -0.82 0.03 0.00 0.00 0.00 0.00 23.12 22.28 1k83 s ALA 793 CO -0.03 -0.32 -0.03 -0.80 0.00 0.00 0.00 175.76 174.58 1k83 s ASN 794 N -0.01 1.47 -0.04 0.00 0.01 -1.26 -0.77 114.94 114.34 1k83 s ASN 794 Ca -0.03 -0.14 0.06 0.00 -0.71 0.00 0.00 52.86 52.04 1k83 s ASN 794 Cb -0.04 -0.51 -0.01 0.00 0.41 0.00 0.00 41.25 41.10 1k83 s ASN 794 CO 0.03 -0.13 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.65 1k83 s ILE 795 N 1.56 1.66 0.26 0.60 1.09 -0.69 -4.05 121.20 121.63 1k83 s ILE 795 Ca -0.01 -0.87 -0.29 0.00 -1.10 0.00 0.00 60.65 58.38 1k83 s ILE 795 Cb -0.13 -1.41 -0.09 0.00 -1.06 0.00 0.00 42.46 39.77 1k83 s ILE 795 CO -0.04 0.47 0.96 -0.22 -0.10 0.00 0.00 174.94 176.01 1k83 s LEU 796 N -0.21 4.59 0.02 2.97 2.96 -0.37 0.21 118.68 128.84 1k83 s LEU 796 Ca 0.01 1.97 -0.27 0.00 -0.22 0.00 0.00 54.13 55.61 1k83 s LEU 796 Cb -0.11 -3.68 -0.15 0.00 0.50 0.00 0.00 46.19 42.75 1k83 s LEU 796 CO 0.01 0.08 1.15 1.88 -1.32 0.00 0.00 176.35 178.16 1k83 h TYR 797 N 3.95 -0.86 -2.67 5.38 -1.99 -1.58 -3.39 116.97 115.81 1k83 h TYR 797 Ca -0.45 -0.02 -0.64 0.00 2.00 0.00 0.00 58.73 59.61 1k83 h TYR 797 Cb 1.20 0.28 -0.40 0.00 2.00 0.00 0.00 36.73 39.82 1k83 h TYR 797 CO 0.61 -0.52 -0.37 0.66 -0.00 0.00 0.00 178.16 178.54 1k83 n TYR 798 N -5.40 3.51 -1.77 4.88 4.02 -1.26 -5.08 117.16 116.05 1k83 n TYR 798 Ca -0.12 -4.04 -0.41 0.00 -0.01 0.00 0.00 57.90 53.32 1k83 n TYR 798 Cb 0.37 -0.73 -0.00 0.00 -0.02 0.00 0.00 39.34 38.96 1k83 n TYR 798 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1k83 n PRO 799 N 1.40 2.68 -4.38 -0.72 -0.02 -1.26 -4.87 135.00 127.82 1k83 n PRO 799 Ca 0.26 0.94 -0.21 0.00 -2.02 0.00 0.00 63.50 62.47 1k83 n PRO 799 Cb 0.38 -2.68 -0.10 0.00 -0.02 0.00 0.00 33.50 31.08 1k83 n PRO 799 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1k83 s GLN 800 N -1.98 1.42 0.03 -0.52 -0.21 -0.88 -5.01 119.66 112.51 1k83 s GLN 800 Ca 0.54 -1.59 -0.15 0.00 0.02 0.00 0.00 55.36 54.18 1k83 s GLN 800 Cb -0.48 -1.39 -0.06 0.00 1.00 0.00 0.00 33.01 32.08 1k83 s GLN 800 CO 0.63 0.26 0.44 -1.59 -2.12 0.00 0.00 175.29 172.90 1k83 s LYS 801 N -3.33 3.94 0.33 2.91 -2.85 -1.26 -4.53 119.74 114.94 1k83 s LYS 801 Ca 0.23 0.43 -0.29 0.00 -1.00 0.00 0.00 55.97 55.34 1k83 s LYS 801 Cb -0.04 -3.18 -0.11 0.00 -2.06 0.00 0.00 37.83 32.45 1k83 s LYS 801 CO 0.09 0.66 1.39 -1.25 0.10 0.00 0.00 175.35 176.34 1k83 s PRO 802 N -1.23 4.26 0.15 1.78 0.04 -1.26 -4.84 135.00 133.89 1k83 s PRO 802 Ca 0.26 2.35 -0.16 0.00 0.04 0.00 0.00 61.00 63.49 1k83 s PRO 802 Cb -0.17 -3.04 0.02 0.00 0.04 0.00 0.00 34.50 31.35 1k83 s PRO 802 CO 0.15 -0.35 1.80 -0.07 0.04 0.00 0.00 177.00 178.57 1k83 h LEU 803 N 3.58 0.36 -8.74 -3.56 3.38 -1.94 -3.38 115.31 105.00 1k83 h LEU 803 Ca -0.49 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 56.83 1k83 h LEU 803 Cb 1.23 -0.07 -0.16 0.00 0.09 0.00 0.00 40.66 41.74 1k83 h LEU 803 CO 0.67 0.26 -0.18 -0.83 0.09 0.00 0.00 178.44 178.45 1k83 s GLY 804 N -2.58 1.87 0.18 0.83 0.00 -1.26 -1.39 107.32 104.97 1k83 s GLY 804 Ca -0.13 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.46 1k83 s GLY 804 CO 0.72 1.12 0.04 -1.30 0.00 0.00 0.00 173.10 173.67 1k83 n THR 805 N 5.33 0.00 -4.40 0.90 -2.24 0.97 -4.77 114.28 110.07 1k83 n THR 805 Ca -0.07 -0.84 -0.24 0.00 -2.27 0.00 0.00 64.05 60.63 1k83 n THR 805 Cb 0.49 0.05 -0.11 0.00 -2.10 0.00 0.00 70.33 68.66 1k83 n THR 805 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1k83 s THR 806 N -1.48 2.14 0.29 4.28 2.01 -1.26 0.94 115.64 122.55 1k83 s THR 806 Ca 0.03 -2.09 0.04 0.00 0.31 0.00 0.00 61.69 59.98 1k83 s THR 806 Cb -0.00 -2.06 0.06 0.00 0.01 0.00 0.00 72.50 70.51 1k83 s THR 806 CO 0.02 -0.29 1.72 0.03 -0.69 0.00 0.00 174.62 175.41 1k83 h ARG 807 N 2.96 0.38 -0.14 4.92 2.47 -1.94 -2.88 114.38 120.15 1k83 h ARG 807 Ca -0.43 -0.16 -0.10 0.00 -1.26 0.00 0.00 59.98 58.04 1k83 h ARG 807 Cb 1.22 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.51 1k83 h ARG 807 CO 0.53 0.66 -0.34 0.00 0.56 0.00 0.00 179.97 181.38 1k83 h ALA 808 N 1.34 1.17 -0.37 0.04 0.00 -1.96 -3.02 119.26 116.45 1k83 h ALA 808 Ca 0.04 -0.37 0.11 0.00 0.00 0.00 0.00 54.91 54.69 1k83 h ALA 808 Cb 0.72 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1k83 h ALA 808 CO 0.06 0.55 0.59 1.98 0.00 0.00 0.00 179.25 182.42 1k83 h MET 809 N 0.25 0.00 0.04 0.00 -1.53 -1.69 -1.81 114.93 110.19 1k83 h MET 809 Ca 0.03 0.00 -0.00 0.00 -3.44 0.00 0.00 59.70 56.29 1k83 h MET 809 Cb 0.72 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.77 1k83 h MET 809 CO 0.05 0.00 -0.02 1.49 0.14 0.00 0.00 176.91 178.58 1k83 h GLU 810 N 0.00 -0.05 0.00 0.39 4.81 -1.68 -2.58 114.58 115.48 1k83 h GLU 810 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1k83 h GLU 810 Cb 1.34 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.74 1k83 h GLU 810 CO -0.00 0.18 0.00 0.66 -0.73 0.00 0.00 179.01 179.12 1k83 n TYR 811 N -5.00 0.00 0.82 0.92 4.02 -0.69 -1.99 117.16 115.24 1k83 n TYR 811 Ca -0.08 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.92 1k83 n TYR 811 Cb 0.15 -0.11 0.11 0.00 -0.02 0.00 0.00 39.34 39.46 1k83 n TYR 811 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1k83 n LEU 812 N -1.11 2.93 -2.16 7.72 4.77 -0.98 -4.95 117.00 123.21 1k83 n LEU 812 Ca 0.13 -1.08 -0.18 0.00 -0.03 0.00 0.00 56.01 54.84 1k83 n LEU 812 Cb 0.10 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1k83 n LEU 812 CO 0.13 0.52 -0.22 0.29 -1.33 0.00 0.00 177.39 176.78 1k83 n LYS 813 N 1.27 -1.72 -0.12 3.23 4.76 -0.84 -4.83 118.16 119.91 1k83 n LYS 813 Ca 0.14 0.95 -0.11 0.00 -2.87 0.00 0.00 58.31 56.42 1k83 n LYS 813 Cb 0.56 -5.51 -0.02 0.00 -1.84 0.00 0.00 35.03 28.21 1k83 n LYS 813 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1k83 h PHE 814 N 0.00 0.71 0.00 2.13 3.57 -1.78 0.14 116.94 121.71 1k83 h PHE 814 Ca -0.42 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 60.94 1k83 h PHE 814 Cb 1.29 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.85 1k83 h PHE 814 CO 0.58 0.77 0.00 0.00 -2.23 0.00 0.00 178.31 177.43 1k83 h ARG 815 N 0.44 0.00 0.06 1.11 3.08 -1.90 0.35 114.38 117.53 1k83 h ARG 815 Ca 0.10 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.93 1k83 h ARG 815 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1k83 h ARG 815 CO 0.02 0.00 -1.14 0.93 -1.07 0.00 0.00 179.97 178.71 1k83 h GLU 816 N 0.00 0.13 -2.23 0.04 3.07 -1.77 -3.41 114.58 110.41 1k83 h GLU 816 Ca 0.00 -0.23 -0.57 0.00 -0.50 0.00 0.00 59.36 58.06 1k83 h GLU 816 Cb 0.31 0.08 -0.42 0.00 -0.84 0.00 0.00 28.75 27.89 1k83 h GLU 816 CO 0.00 1.11 -0.74 1.28 -1.40 0.00 0.00 179.01 179.26 1k83 n LEU 817 N -4.18 3.79 -4.54 1.33 4.77 0.42 -5.09 117.00 113.51 1k83 n LEU 817 Ca -0.25 -5.55 -0.29 0.00 -0.03 0.00 0.00 56.01 49.89 1k83 n LEU 817 Cb 0.77 -0.33 0.23 0.00 -2.33 0.00 0.00 43.42 41.76 1k83 n LEU 817 CO 0.33 2.33 0.56 -2.16 -1.33 0.00 0.00 177.39 177.13 1k83 s PRO 818 N -3.24 -0.42 -0.40 3.23 0.04 0.10 -4.53 135.00 129.79 1k83 s PRO 818 Ca 0.47 1.12 0.08 0.00 0.04 0.00 0.00 61.00 62.71 1k83 s PRO 818 Cb 0.29 -1.59 0.26 0.00 0.04 0.00 0.00 34.50 33.49 1k83 s PRO 818 CO -0.12 -3.47 0.60 0.00 0.04 0.00 0.00 177.00 174.04 1k83 n ALA 819 N -4.77 1.84 0.00 8.56 0.00 -1.26 -3.64 120.51 121.23 1k83 n ALA 819 Ca 0.06 -3.11 0.00 0.00 0.00 0.00 0.00 53.44 50.39 1k83 n ALA 819 Cb 0.53 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1k83 n ALA 819 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k83 n GLY 820 N 1.32 -2.36 3.10 0.00 0.00 -1.25 -4.65 105.19 101.34 1k83 n GLY 820 Ca 0.20 -1.34 -0.08 0.00 0.00 0.00 0.00 46.02 44.80 1k83 n GLY 820 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k83 s GLN 821 N -1.96 0.61 -0.70 1.61 -0.21 -0.69 -2.08 119.66 116.25 1k83 s GLN 821 Ca 0.00 -1.04 -0.21 0.00 0.02 0.00 0.00 55.36 54.12 1k83 s GLN 821 Cb 0.00 0.22 0.09 0.00 1.00 0.00 0.00 33.01 34.32 1k83 s GLN 821 CO 0.00 -0.13 0.95 -0.80 -2.12 0.00 0.00 175.29 173.19 1k83 s ASN 822 N -2.64 6.26 0.17 5.90 0.01 -1.26 -1.24 114.94 122.14 1k83 s ASN 822 Ca 0.02 -1.26 -0.24 0.00 -0.71 0.00 0.00 52.86 50.68 1k83 s ASN 822 Cb 0.04 -2.40 -0.08 0.00 0.41 0.00 0.00 41.25 39.23 1k83 s ASN 822 CO -0.08 -1.32 0.75 0.00 -1.51 0.00 0.00 177.10 174.94 1k83 s ALA 823 N 3.59 3.45 -0.54 0.60 0.00 -0.56 -4.79 121.76 123.51 1k83 s ALA 823 Ca 0.22 0.30 -0.25 0.00 0.00 0.00 0.00 51.96 52.23 1k83 s ALA 823 Cb -0.16 -2.91 0.04 0.00 0.00 0.00 0.00 23.12 20.09 1k83 s ALA 823 CO 0.06 0.31 1.00 0.42 0.00 0.00 0.00 175.76 177.55 1k83 s ILE 824 N -1.22 4.31 -0.16 0.00 -1.09 -1.26 -1.15 121.20 120.62 1k83 s ILE 824 Ca 0.37 0.55 -0.03 0.00 -2.23 0.00 0.00 60.65 59.30 1k83 s ILE 824 Cb -0.22 -4.57 -0.02 0.00 -1.58 0.00 0.00 42.46 36.07 1k83 s ILE 824 CO 0.25 -1.11 -0.04 -0.69 -1.23 0.00 0.00 174.94 172.11 1k83 s VAL 825 N 4.17 3.76 -0.23 2.92 1.01 0.96 0.20 120.40 133.19 1k83 s VAL 825 Ca 0.35 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.86 1k83 s VAL 825 Cb -0.11 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 1k83 s VAL 825 CO 0.22 0.48 0.07 0.00 0.00 0.00 0.00 175.10 175.87 1k83 s ALA 826 N 0.52 3.24 -0.66 5.51 0.00 0.35 -2.15 121.76 128.57 1k83 s ALA 826 Ca -0.04 -1.00 -0.24 0.00 0.00 0.00 0.00 51.96 50.69 1k83 s ALA 826 Cb -0.14 -2.02 0.06 0.00 0.00 0.00 0.00 23.12 21.01 1k83 s ALA 826 CO 0.03 -0.26 1.03 0.42 0.00 0.00 0.00 175.76 176.97 1k83 s ILE 827 N 1.20 4.21 0.13 0.00 1.01 -0.57 -2.20 121.20 124.98 1k83 s ILE 827 Ca 0.05 -0.11 -0.19 0.00 0.00 0.00 0.00 60.65 60.39 1k83 s ILE 827 Cb -0.14 -4.71 0.05 0.00 0.01 0.00 0.00 42.46 37.67 1k83 s ILE 827 CO 0.03 -1.49 0.49 0.00 0.00 0.00 0.00 174.94 173.98 1k83 s ALA 828 N 4.39 -1.24 -0.38 9.38 0.00 -0.52 -4.15 121.76 129.24 1k83 s ALA 828 Ca 0.26 0.23 -0.18 0.00 0.00 0.00 0.00 51.96 52.27 1k83 s ALA 828 Cb -0.14 0.74 0.01 0.00 0.00 0.00 0.00 23.12 23.72 1k83 s ALA 828 CO 0.12 -0.68 0.50 0.00 0.00 0.00 0.00 175.76 175.71 1k83 n TYR 830 N 5.76 0.00 0.84 0.00 9.36 -1.26 -4.87 117.16 126.99 1k83 n TYR 830 Ca -0.05 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.25 1k83 n TYR 830 Cb 0.48 0.00 0.43 0.00 -0.63 0.00 0.00 39.34 39.63 1k83 n TYR 830 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1k83 n SER 831 N 0.00 0.00 0.00 2.98 3.41 -1.26 -4.79 113.62 113.96 1k83 n SER 831 Ca 0.00 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 1k83 n SER 831 Cb 0.00 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 1k83 n SER 831 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k83 n GLY 832 N 0.08 0.66 1.12 5.00 0.00 -1.26 -4.93 105.19 105.87 1k83 n GLY 832 Ca 0.09 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.16 1k83 n GLY 832 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1k83 n TYR 833 N -2.67 0.98 -2.58 1.61 4.02 -1.26 -4.15 117.16 113.11 1k83 n TYR 833 Ca 0.00 -0.38 -0.13 0.00 -0.01 0.00 0.00 57.90 57.39 1k83 n TYR 833 Cb 0.00 -0.20 0.03 0.00 -0.02 0.00 0.00 39.34 39.14 1k83 n TYR 833 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1k83 n ASN 834 N 0.55 2.68 -5.00 7.72 6.94 -1.26 -4.52 115.26 122.36 1k83 n ASN 834 Ca 0.16 -2.90 -0.18 0.00 -0.02 0.00 0.00 54.58 51.64 1k83 n ASN 834 Cb 0.63 -0.47 0.02 0.00 -2.36 0.00 0.00 39.78 37.59 1k83 n ASN 834 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1k83 s GLN 835 N -3.46 2.77 -1.40 -3.83 -0.21 -1.26 -4.01 119.66 108.26 1k83 s GLN 835 Ca 0.35 -1.18 -0.09 0.00 0.02 0.00 0.00 55.36 54.46 1k83 s GLN 835 Cb 0.40 -2.71 0.01 0.00 1.00 0.00 0.00 33.01 31.71 1k83 s GLN 835 CO -0.03 -0.36 0.34 0.39 -2.12 0.00 0.00 175.29 173.52 1k83 n GLU 836 N -1.94 -1.53 -1.01 2.91 -0.58 -1.26 -1.66 120.64 115.57 1k83 n GLU 836 Ca 0.08 0.22 -0.00 0.00 -0.42 0.00 0.00 57.16 57.04 1k83 n GLU 836 Cb 0.59 -3.70 -0.00 0.00 -0.57 0.00 0.00 31.44 27.76 1k83 n GLU 836 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1k83 n ASP 837 N -2.75 -4.71 -4.94 1.62 8.00 -1.26 -5.01 116.55 107.50 1k83 n ASP 837 Ca -0.26 0.01 -0.24 0.00 0.71 0.00 0.00 54.79 55.01 1k83 n ASP 837 Cb 0.66 -2.23 0.03 0.00 -0.02 0.00 0.00 41.12 39.55 1k83 n ASP 837 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1k83 s SER 838 N -2.02 5.55 0.13 -2.24 1.04 -0.67 -3.28 113.70 112.22 1k83 s SER 838 Ca 0.00 0.39 0.08 0.00 0.48 0.00 0.00 55.95 56.90 1k83 s SER 838 Cb 0.00 -1.42 -0.04 0.00 0.10 0.00 0.00 66.02 64.66 1k83 s SER 838 CO 0.00 -0.99 -0.19 -0.04 0.98 0.00 0.00 173.24 173.00 1k83 s MET 839 N -4.81 1.17 -0.30 4.02 -1.94 0.12 -4.32 119.30 113.25 1k83 s MET 839 Ca 0.53 -1.28 -0.08 0.00 -1.71 0.00 0.00 55.69 53.15 1k83 s MET 839 Cb -0.10 -1.29 0.00 0.00 2.01 0.00 0.00 34.83 35.45 1k83 s MET 839 CO 0.41 0.28 0.12 0.42 -0.01 0.00 0.00 175.02 176.23 1k83 s ILE 840 N -1.69 4.27 0.09 2.53 1.01 -0.97 0.26 121.20 126.69 1k83 s ILE 840 Ca 0.11 -0.58 0.04 0.00 0.00 0.00 0.00 60.65 60.22 1k83 s ILE 840 Cb -0.07 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 1k83 s ILE 840 CO 0.05 0.07 0.04 -0.32 0.00 0.00 0.00 174.94 174.77 1k83 s MET 841 N 1.55 2.70 -0.47 2.79 1.75 -0.84 -0.79 119.30 126.00 1k83 s MET 841 Ca 0.03 -0.77 -0.28 0.00 -1.25 0.00 0.00 55.69 53.42 1k83 s MET 841 Cb -0.17 -2.63 0.00 0.00 2.84 0.00 0.00 34.83 34.88 1k83 s MET 841 CO 0.04 0.55 1.52 1.21 -0.65 0.00 0.00 175.02 177.69 1k83 s ASN 842 N -2.36 6.08 0.30 1.11 3.84 -0.52 -0.57 114.94 122.82 1k83 s ASN 842 Ca 0.27 0.67 0.01 0.00 0.21 0.00 0.00 52.86 54.02 1k83 s ASN 842 Cb -0.12 -2.54 0.53 0.00 -0.55 0.00 0.00 41.25 38.57 1k83 s ASN 842 CO 0.20 -1.67 1.92 -0.61 -2.79 0.00 0.00 177.10 174.15 1k83 h GLN 843 N 11.62 0.99 -0.73 0.43 5.75 0.54 -1.51 115.11 132.19 1k83 h GLN 843 Ca -0.28 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.13 1k83 h GLN 843 Cb 1.12 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 29.41 1k83 h GLN 843 CO 1.12 0.66 0.33 0.77 -2.65 0.00 0.00 178.83 179.06 1k83 h SER 844 N 1.02 0.96 0.56 -0.69 0.02 -1.90 -1.12 113.55 112.41 1k83 h SER 844 Ca 0.38 -0.12 -0.11 0.00 -0.84 0.00 0.00 61.79 61.10 1k83 h SER 844 Cb 0.17 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 1k83 h SER 844 CO -0.14 0.83 -0.52 0.28 -1.14 0.00 0.00 176.83 176.14 1k83 h SER 845 N 1.05 0.00 -0.14 3.07 0.02 -1.66 -2.42 113.55 113.47 1k83 h SER 845 Ca 0.25 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.09 1k83 h SER 845 Cb 0.14 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1k83 h SER 845 CO -0.03 0.52 -0.26 0.40 -1.14 0.00 0.00 176.83 176.33 1k83 h ILE 846 N 0.00 1.27 -0.39 3.27 2.04 -0.33 0.22 117.51 123.59 1k83 h ILE 846 Ca -0.01 -1.33 -0.05 0.00 1.00 0.00 0.00 64.86 64.48 1k83 h ILE 846 Cb 0.94 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 1k83 h ILE 846 CO 0.07 0.43 0.06 0.44 0.00 0.00 0.00 178.15 179.15 1k83 h ASP 847 N 0.52 0.62 0.00 1.72 3.32 -0.78 -2.55 116.42 119.28 1k83 h ASP 847 Ca 0.07 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1k83 h ASP 847 Cb 0.72 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1k83 h ASP 847 CO 0.06 0.72 0.00 0.54 -1.72 0.00 0.00 179.24 178.84 1k83 n ARG 848 N -4.53 0.77 0.00 3.56 1.74 -0.99 -4.84 116.66 112.37 1k83 n ARG 848 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1k83 n ARG 848 Cb 0.23 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 1k83 n ARG 848 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k83 n GLY 849 N 0.46 0.80 3.66 -0.13 0.00 -0.96 -5.06 105.19 103.96 1k83 n GLY 849 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1k83 n GLY 849 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1k83 n LEU 850 N 0.00 4.16 0.00 0.99 7.94 0.74 -2.80 117.00 128.03 1k83 n LEU 850 Ca 0.00 0.91 0.00 0.00 -1.11 0.00 0.00 56.01 55.81 1k83 n LEU 850 Cb 0.00 -1.53 0.00 0.00 0.53 0.00 0.00 43.42 42.42 1k83 n LEU 850 CO 0.00 0.20 0.00 0.49 -1.11 0.00 0.00 177.39 176.97 1k83 n PHE 851 N 7.42 0.00 -1.67 1.96 3.01 -1.26 -4.58 117.46 122.34 1k83 n PHE 851 Ca 0.20 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.30 1k83 n PHE 851 Cb 0.40 -1.02 0.07 0.00 -0.01 0.00 0.00 39.48 38.92 1k83 n PHE 851 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1k83 s ARG 852 N -0.95 2.45 0.07 -1.08 0.52 -1.12 -4.62 118.95 114.22 1k83 s ARG 852 Ca 0.00 1.93 -0.11 0.00 -0.52 0.00 0.00 55.73 57.03 1k83 s ARG 852 Cb 0.00 -1.85 0.01 0.00 0.52 0.00 0.00 34.95 33.63 1k83 s ARG 852 CO 0.00 -1.64 0.24 -1.54 0.02 0.00 0.00 175.30 172.38 1k83 s SER 853 N -1.64 0.01 0.11 0.23 1.04 -0.70 -1.42 113.70 111.33 1k83 s SER 853 Ca 0.79 -0.44 -0.05 0.00 0.48 0.00 0.00 55.95 56.72 1k83 s SER 853 Cb -0.34 0.35 -0.05 0.00 0.10 0.00 0.00 66.02 66.08 1k83 s SER 853 CO 0.41 -0.68 0.35 -0.76 0.98 0.00 0.00 173.24 173.54 1k83 s LEU 854 N -2.50 4.29 -0.06 2.42 1.43 0.13 0.22 118.68 124.62 1k83 s LEU 854 Ca 0.00 0.59 0.01 0.00 -1.03 0.00 0.00 54.13 53.70 1k83 s LEU 854 Cb 0.02 -3.17 0.02 0.00 0.03 0.00 0.00 46.19 43.09 1k83 s LEU 854 CO -0.08 0.10 -0.05 0.12 0.23 0.00 0.00 176.35 176.67 1k83 s PHE 855 N -1.58 0.89 -0.15 0.29 5.36 0.23 -1.71 117.98 121.31 1k83 s PHE 855 Ca 0.38 -0.29 0.01 0.00 -0.96 0.00 0.00 56.93 56.07 1k83 s PHE 855 Cb -0.13 -0.79 0.02 0.00 -0.34 0.00 0.00 43.02 41.79 1k83 s PHE 855 CO 0.23 -0.25 -0.16 -0.06 -1.46 0.00 0.00 175.22 173.52 1k83 s PHE 856 N 1.13 2.31 -0.02 10.12 0.40 0.05 -0.44 117.98 131.51 1k83 s PHE 856 Ca -0.07 -1.31 0.07 0.00 -0.60 0.00 0.00 56.93 55.02 1k83 s PHE 856 Cb -0.14 -1.67 -0.02 0.00 0.51 0.00 0.00 43.02 41.71 1k83 s PHE 856 CO -0.01 -0.69 -0.24 0.50 0.70 0.00 0.00 175.22 175.47 1k83 s ARG 857 N 1.42 2.01 -0.04 0.44 3.52 -0.98 -0.69 118.95 124.63 1k83 s ARG 857 Ca 0.04 -0.88 0.02 0.00 -0.13 0.00 0.00 55.73 54.79 1k83 s ARG 857 Cb -0.13 -1.93 0.01 0.00 -1.56 0.00 0.00 34.95 31.34 1k83 s ARG 857 CO -0.11 0.52 -0.08 -1.54 -0.81 0.00 0.00 175.30 173.28 1k83 s SER 858 N -0.55 1.20 0.07 -2.12 1.04 -0.88 -0.06 113.70 112.40 1k83 s SER 858 Ca 0.09 -0.19 0.02 0.00 0.48 0.00 0.00 55.95 56.35 1k83 s SER 858 Cb -0.10 -0.43 -0.04 0.00 0.10 0.00 0.00 66.02 65.55 1k83 s SER 858 CO -0.01 0.03 0.12 -0.31 0.98 0.00 0.00 173.24 174.05 1k83 s TYR 859 N 0.46 3.30 0.25 5.02 1.51 0.19 -4.70 117.35 123.38 1k83 s TYR 859 Ca -0.07 0.14 0.06 0.00 -1.01 0.00 0.00 57.07 56.18 1k83 s TYR 859 Cb -0.11 -1.67 -0.05 0.00 -0.11 0.00 0.00 41.96 40.02 1k83 s TYR 859 CO 0.01 0.54 -0.05 1.41 -1.11 0.00 0.00 175.55 176.36 1k83 s MET 860 N -2.40 1.45 0.00 -0.62 1.75 -1.26 0.07 119.30 118.28 1k83 s MET 860 Ca 0.31 -1.72 0.00 0.00 -1.25 0.00 0.00 55.69 53.02 1k83 s MET 860 Cb -0.12 -0.96 0.00 0.00 2.84 0.00 0.00 34.83 36.58 1k83 s MET 860 CO 0.24 0.01 0.00 -3.47 -0.65 0.00 0.00 175.02 171.14 1k83 n ASP 861 N -0.50 0.00 0.00 1.11 2.03 -1.06 -5.02 116.55 113.11 1k83 n ASP 861 Ca -0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.25 1k83 n ASP 861 Cb 0.63 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.03 1k83 n ASP 861 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1k83 n GLN 862 N -0.05 3.29 -4.29 -0.67 6.02 -1.26 -2.91 117.38 117.50 1k83 n GLN 862 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.80 1k83 n GLN 862 Cb 0.00 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.18 1k83 n GLN 862 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1k83 s GLU 863 N 4.36 1.70 0.17 -1.09 2.02 -1.26 -4.97 118.70 119.64 1k83 s GLU 863 Ca 0.00 -1.99 0.00 0.00 0.02 0.00 0.00 54.97 53.00 1k83 s GLU 863 Cb 0.00 0.23 0.00 0.00 0.10 0.00 0.00 34.13 34.46 1k83 s GLU 863 CO 0.00 -0.60 0.00 0.36 0.02 0.00 0.00 175.26 175.04 1k83 n LYS 864 N -0.60 0.79 0.00 1.61 2.85 -1.26 -4.95 118.16 116.59 1k83 n LYS 864 Ca 0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 1k83 n LYS 864 Cb 0.63 -0.34 0.00 0.00 -0.65 0.00 0.00 35.03 34.67 1k83 n LYS 864 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1k83 n LYS 865 N 1.03 0.25 -2.22 -1.58 5.02 -1.26 -5.01 118.16 114.38 1k83 n LYS 865 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 1k83 n LYS 865 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1k83 n LYS 865 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1k83 s TYR 866 N 1.27 1.91 -0.28 2.13 4.12 -1.26 -4.89 117.35 120.35 1k83 s TYR 866 Ca 0.00 0.42 -0.04 0.00 0.02 0.00 0.00 57.07 57.47 1k83 s TYR 866 Cb 0.00 -4.28 0.16 0.00 -1.52 0.00 0.00 41.96 36.32 1k83 s TYR 866 CO 0.00 -2.15 0.55 0.20 0.02 0.00 0.00 175.55 174.17 1k83 s GLY 867 N 6.62 -0.77 -0.10 0.71 0.00 -1.26 -5.10 107.32 107.42 1k83 s GLY 867 Ca 0.57 1.75 -0.29 0.00 0.00 0.00 0.00 44.72 46.75 1k83 s GLY 867 CO 0.14 3.09 2.05 1.06 0.00 0.00 0.00 173.10 179.45 1k83 s MET 868 N 2.79 3.65 -1.29 2.90 -1.94 -1.26 -2.28 119.30 121.87 1k83 s MET 868 Ca 0.12 2.26 -0.01 0.00 -1.71 0.00 0.00 55.69 56.35 1k83 s MET 868 Cb -0.14 -4.25 0.00 0.00 2.01 0.00 0.00 34.83 32.45 1k83 s MET 868 CO -0.19 -1.51 0.82 -1.13 -0.01 0.00 0.00 175.02 173.00 1k83 n SER 869 N 9.52 -1.76 -3.27 3.03 3.41 -1.26 -4.99 113.62 118.30 1k83 n SER 869 Ca 0.24 -0.75 -0.05 0.00 -0.26 0.00 0.00 58.87 58.05 1k83 n SER 869 Cb 0.43 -4.39 -0.05 0.00 -0.26 0.00 0.00 64.21 59.94 1k83 n SER 869 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1k83 s ILE 870 N -3.55 -0.74 0.00 -1.33 1.01 -0.96 -5.12 121.20 110.51 1k83 s ILE 870 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.54 1k83 s ILE 870 Cb -0.03 -0.96 0.00 0.00 0.01 0.00 0.00 42.46 41.48 1k83 s ILE 870 CO 0.79 -0.17 0.00 0.41 0.00 0.00 0.00 174.94 175.97 1k83 n THR 871 N 5.38 0.00 -3.74 2.92 -1.04 -1.26 -4.43 114.28 112.11 1k83 n THR 871 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.88 1k83 n THR 871 Cb 0.51 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.93 1k83 n THR 871 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1k83 s GLU 872 N 1.91 0.70 -0.01 -2.82 2.02 -1.26 -4.19 118.70 115.05 1k83 s GLU 872 Ca 0.00 -0.17 0.01 0.00 0.02 0.00 0.00 54.97 54.83 1k83 s GLU 872 Cb 0.00 0.31 0.01 0.00 0.10 0.00 0.00 34.13 34.55 1k83 s GLU 872 CO 0.00 -0.20 -0.02 0.99 0.02 0.00 0.00 175.26 176.06 1k83 s THR 873 N -1.35 0.20 -0.75 3.63 2.01 -0.91 -4.63 115.64 113.84 1k83 s THR 873 Ca -0.13 -0.04 -0.24 0.00 0.31 0.00 0.00 61.69 61.58 1k83 s THR 873 Cb -0.05 -0.22 0.06 0.00 0.01 0.00 0.00 72.50 72.30 1k83 s THR 873 CO 0.05 0.09 1.16 -0.36 -0.69 0.00 0.00 174.62 174.86 1k83 s PHE 874 N 0.33 2.54 -0.19 4.92 2.99 -1.26 -1.48 117.98 125.84 1k83 s PHE 874 Ca -0.03 -0.45 -0.28 0.00 0.00 0.00 0.00 56.93 56.17 1k83 s PHE 874 Cb -0.06 -4.47 0.10 0.00 0.00 0.00 0.00 43.02 38.59 1k83 s PHE 874 CO -0.01 -1.84 0.86 -1.21 -0.00 0.00 0.00 175.22 173.02 1k83 s GLU 875 N 4.73 0.75 -0.31 0.44 2.02 -0.94 -3.57 118.70 121.81 1k83 s GLU 875 Ca 0.31 0.48 -0.39 0.00 0.02 0.00 0.00 54.97 55.38 1k83 s GLU 875 Cb -0.11 0.36 -0.15 0.00 0.10 0.00 0.00 34.13 34.34 1k83 s GLU 875 CO 0.08 -0.17 1.88 1.63 0.02 0.00 0.00 175.26 178.70 1k83 n LYS 876 N 1.59 1.05 -3.11 1.61 5.02 -1.25 -4.55 118.16 118.52 1k83 n LYS 876 Ca -0.14 0.36 -0.38 0.00 -2.02 0.00 0.00 58.31 56.13 1k83 n LYS 876 Cb 0.56 -2.14 -0.06 0.00 -0.02 0.00 0.00 35.03 33.37 1k83 n LYS 876 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1k83 s PRO 877 N 4.39 4.36 -0.33 1.97 0.04 -1.26 -5.01 135.00 139.16 1k83 s PRO 877 Ca 1.03 0.94 0.17 0.00 0.04 0.00 0.00 61.00 63.17 1k83 s PRO 877 Cb -1.06 -3.15 0.44 0.00 0.04 0.00 0.00 34.50 30.77 1k83 s PRO 877 CO 0.62 0.55 0.93 1.04 0.04 0.00 0.00 177.00 180.17 1k83 n GLN 878 N 1.39 1.11 -1.62 4.56 6.02 -1.26 -5.04 117.38 122.54 1k83 n GLN 878 Ca -0.06 -3.21 0.00 0.00 -0.01 0.00 0.00 57.00 53.72 1k83 n GLN 878 Cb 0.50 -1.28 0.00 0.00 1.02 0.00 0.00 30.24 30.48 1k83 n GLN 878 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1k83 n ARG 879 N -0.02 -1.10 -3.15 -1.09 1.74 -1.26 -5.07 116.66 106.71 1k83 n ARG 879 Ca 0.11 0.78 0.04 0.00 -0.77 0.00 0.00 57.85 58.02 1k83 n ARG 879 Cb 0.79 -1.25 -0.01 0.00 -1.02 0.00 0.00 32.46 30.98 1k83 n ARG 879 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1k83 s THR 880 N -0.18 -0.75 -0.06 0.55 2.01 -1.26 -4.85 115.64 111.11 1k83 s THR 880 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1k83 s THR 880 Cb 0.00 -0.92 0.00 0.00 0.01 0.00 0.00 72.50 71.59 1k83 s THR 880 CO 0.00 0.00 0.00 0.59 -0.69 0.00 0.00 174.62 174.52 1k83 n ASN 881 N 5.40 -5.85 0.00 3.53 3.02 -1.26 -3.88 115.26 116.22 1k83 n ASN 881 Ca -0.00 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1k83 n ASN 881 Cb 0.53 -3.39 0.00 0.00 -0.61 0.00 0.00 39.78 36.31 1k83 n ASN 881 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1k83 n THR 882 N -2.06 0.00 0.00 3.41 -1.04 -1.26 -4.46 114.28 108.87 1k83 n THR 882 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1k83 n THR 882 Cb 0.48 -0.17 0.00 0.00 -1.82 0.00 0.00 70.33 68.83 1k83 n THR 882 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1k83 n LEU 883 N -1.99 0.00 -4.48 -4.42 4.77 -1.26 -4.86 117.00 104.77 1k83 n LEU 883 Ca 0.00 0.00 -0.49 0.00 -0.03 0.00 0.00 56.01 55.49 1k83 n LEU 883 Cb 0.00 -0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 40.61 1k83 n LEU 883 CO 0.00 0.00 1.83 0.54 -1.33 0.00 0.00 177.39 178.43 1k83 n ARG 884 N -1.75 1.22 0.00 3.23 1.74 -1.26 -4.82 116.66 115.02 1k83 n ARG 884 Ca 0.00 0.32 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 1k83 n ARG 884 Cb 0.00 -2.62 0.00 0.00 -1.02 0.00 0.00 32.46 28.82 1k83 n ARG 884 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1k83 n MET 885 N 8.34 0.00 -3.87 5.56 2.81 -1.26 -1.96 117.12 126.74 1k83 n MET 885 Ca 0.39 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 56.19 1k83 n MET 885 Cb 0.28 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.72 1k83 n MET 885 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1k83 s LYS 886 N 1.30 1.12 0.07 0.03 -2.85 -1.26 -5.01 119.74 113.14 1k83 s LYS 886 Ca 0.00 -1.03 -0.15 0.00 -1.00 0.00 0.00 55.97 53.79 1k83 s LYS 886 Cb 0.00 0.40 -0.04 0.00 -2.06 0.00 0.00 37.83 36.13 1k83 s LYS 886 CO 0.00 -0.41 1.26 0.45 0.10 0.00 0.00 175.35 176.74 1k83 h HIS 887 N 2.51 -0.88 -0.96 1.78 3.86 -2.02 -3.43 115.15 116.01 1k83 h HIS 887 Ca -0.32 0.05 -0.57 0.00 -1.16 0.00 0.00 60.37 58.37 1k83 h HIS 887 Cb 1.23 0.43 0.10 0.00 1.06 0.00 0.00 27.41 30.23 1k83 h HIS 887 CO 0.39 -0.20 -0.52 0.41 0.86 0.00 0.00 177.93 178.87 1k83 n GLY 888 N -1.14 -1.66 3.82 2.45 0.00 -1.26 -4.87 105.19 102.53 1k83 n GLY 888 Ca 0.00 0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 1k83 n GLY 888 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k83 s THR 889 N -0.96 4.37 -2.22 2.61 2.01 -1.26 -4.63 115.64 115.55 1k83 s THR 889 Ca 0.55 1.37 0.20 0.00 0.31 0.00 0.00 61.69 64.12 1k83 s THR 889 Cb -0.76 -3.61 0.09 0.00 0.01 0.00 0.00 72.50 68.23 1k83 s THR 889 CO 0.49 -0.42 1.07 -1.22 -0.69 0.00 0.00 174.62 173.86 1k83 n TYR 890 N -0.95 0.00 0.00 4.92 4.02 -1.26 -2.08 117.16 121.81 1k83 n TYR 890 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.96 1k83 n TYR 890 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.86 1k83 n TYR 890 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1k83 n ASP 891 N 0.65 0.00 -0.00 7.72 8.00 -1.26 -0.69 116.55 130.96 1k83 n ASP 891 Ca 0.10 0.23 0.10 0.00 0.71 0.00 0.00 54.79 55.93 1k83 n ASP 891 Cb 0.47 -0.23 -0.13 0.00 -0.02 0.00 0.00 41.12 41.21 1k83 n ASP 891 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1k83 n LYS 892 N -1.19 0.55 -1.58 -1.24 5.02 -1.26 -4.95 118.16 113.51 1k83 n LYS 892 Ca 0.00 -0.06 -0.31 0.00 -2.02 0.00 0.00 58.31 55.92 1k83 n LYS 892 Cb 0.07 -1.44 0.06 0.00 -0.02 0.00 0.00 35.03 33.70 1k83 n LYS 892 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1k83 s LEU 893 N -3.43 2.95 0.40 -0.35 1.43 0.13 -4.43 118.68 115.38 1k83 s LEU 893 Ca 0.02 1.50 0.08 0.00 -1.03 0.00 0.00 54.13 54.70 1k83 s LEU 893 Cb 0.14 -4.29 -0.02 0.00 0.03 0.00 0.00 46.19 42.05 1k83 s LEU 893 CO 0.82 -1.59 0.38 -1.81 0.23 0.00 0.00 176.35 174.37 1k83 s ASP 894 N -3.86 5.17 0.00 2.29 1.01 -1.12 -4.89 116.67 115.28 1k83 s ASP 894 Ca 0.59 -0.65 0.04 0.00 0.71 0.00 0.00 52.55 53.24 1k83 s ASP 894 Cb -0.14 -0.68 0.19 0.00 1.01 0.00 0.00 42.92 43.30 1k83 s ASP 894 CO 0.55 -0.59 1.11 0.47 0.21 0.00 0.00 175.17 176.91 1k83 n ASP 895 N -1.54 0.00 -0.34 0.27 9.92 -1.26 -0.15 116.55 123.45 1k83 n ASP 895 Ca 0.03 0.45 0.11 0.00 -0.53 0.00 0.00 54.79 54.85 1k83 n ASP 895 Cb 0.61 -0.46 0.51 0.00 -0.64 0.00 0.00 41.12 41.14 1k83 n ASP 895 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1k83 n ASP 896 N -1.46 1.03 0.00 -2.24 5.75 -1.26 -3.95 116.55 114.42 1k83 n ASP 896 Ca 0.01 -1.52 0.00 0.00 -0.01 0.00 0.00 54.79 53.27 1k83 n ASP 896 Cb 0.05 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1k83 n ASP 896 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k83 n GLY 897 N 1.04 0.49 2.95 6.12 0.00 0.79 -4.02 105.19 112.55 1k83 n GLY 897 Ca 0.17 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 1k83 n GLY 897 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k83 s LEU 898 N 0.00 1.67 1.20 0.99 1.43 -1.25 -0.57 118.68 122.16 1k83 s LEU 898 Ca 0.00 -0.13 -0.15 0.00 -1.03 0.00 0.00 54.13 52.82 1k83 s LEU 898 Cb 0.00 -0.42 0.29 0.00 0.03 0.00 0.00 46.19 46.09 1k83 s LEU 898 CO 0.00 0.02 1.02 -0.63 0.23 0.00 0.00 176.35 176.99 1k83 s ILE 899 N 0.37 1.83 0.13 -0.59 1.01 -1.21 -2.78 121.20 119.96 1k83 s ILE 899 Ca -0.05 0.00 0.08 0.00 0.00 0.00 0.00 60.65 60.68 1k83 s ILE 899 Cb -0.09 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 1k83 s ILE 899 CO 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 174.94 174.75 1k83 s ALA 900 N -2.54 1.86 0.75 9.38 0.00 -1.26 -4.86 121.76 125.08 1k83 s ALA 900 Ca 0.68 -1.34 -0.17 0.00 0.00 0.00 0.00 51.96 51.14 1k83 s ALA 900 Cb -0.21 -0.21 -0.09 0.00 0.00 0.00 0.00 23.12 22.61 1k83 s ALA 900 CO 0.62 0.30 0.03 -2.30 0.00 0.00 0.00 175.76 174.41 1k83 n PRO 901 N 0.76 0.11 0.00 0.00 -0.02 -1.26 -2.60 135.00 131.99 1k83 n PRO 901 Ca -0.17 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1k83 n PRO 901 Cb 0.55 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 1k83 n PRO 901 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k83 n GLY 902 N 2.31 2.54 3.72 -1.23 0.00 -0.82 -4.96 105.19 106.74 1k83 n GLY 902 Ca 0.06 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1k83 n GLY 902 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k83 s VAL 903 N -1.22 3.20 -0.23 1.61 1.01 -1.07 -4.72 120.40 118.97 1k83 s VAL 903 Ca 0.00 0.87 -0.22 0.00 0.00 0.00 0.00 61.98 62.63 1k83 s VAL 903 Cb 0.00 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 1k83 s VAL 903 CO 0.00 0.07 0.70 -0.60 0.00 0.00 0.00 175.10 175.28 1k83 s ARG 904 N 0.98 4.17 0.43 2.72 3.52 -1.26 -1.09 118.95 128.41 1k83 s ARG 904 Ca 0.64 0.72 0.07 0.00 -0.13 0.00 0.00 55.73 57.03 1k83 s ARG 904 Cb -0.38 -3.62 -0.04 0.00 -1.56 0.00 0.00 34.95 29.34 1k83 s ARG 904 CO 0.31 -0.39 0.18 0.14 -0.81 0.00 0.00 175.30 174.73 1k83 s VAL 905 N 2.42 2.18 0.00 7.11 -7.23 -0.95 -4.99 120.40 118.94 1k83 s VAL 905 Ca 0.30 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 58.77 1k83 s VAL 905 Cb -0.16 -2.88 0.00 0.00 0.56 0.00 0.00 36.38 33.90 1k83 s VAL 905 CO 0.09 0.00 0.00 -1.54 -0.31 0.00 0.00 175.10 173.34 1k83 n SER 906 N -1.27 0.38 0.00 4.85 3.41 -1.26 -2.63 113.62 117.10 1k83 n SER 906 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1k83 n SER 906 Cb 0.65 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 1k83 n SER 906 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k83 n GLY 907 N 0.00 0.60 0.89 5.00 0.00 -1.26 -2.03 105.19 108.39 1k83 n GLY 907 Ca 0.00 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.09 1k83 n GLY 907 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1k83 n GLU 908 N 3.75 2.93 -1.07 1.61 1.02 -1.26 -4.35 120.64 123.28 1k83 n GLU 908 Ca 0.00 -2.82 -0.35 0.00 -0.02 0.00 0.00 57.16 53.97 1k83 n GLU 908 Cb 0.00 -1.83 -0.01 0.00 -0.02 0.00 0.00 31.44 29.58 1k83 n GLU 908 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1k83 n ASP 909 N -0.47 -2.09 -4.65 1.62 9.92 -0.86 -3.77 116.55 116.24 1k83 n ASP 909 Ca 0.21 0.70 -0.41 0.00 -0.53 0.00 0.00 54.79 54.76 1k83 n ASP 909 Cb 0.88 -0.72 -0.05 0.00 -0.64 0.00 0.00 41.12 40.59 1k83 n ASP 909 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1k83 s VAL 910 N -1.26 4.89 -0.15 2.53 1.01 -0.88 0.10 120.40 126.64 1k83 s VAL 910 Ca 0.49 1.50 0.09 0.00 0.00 0.00 0.00 61.98 64.06 1k83 s VAL 910 Cb -0.56 -4.08 -0.23 0.00 0.00 0.00 0.00 36.38 31.51 1k83 s VAL 910 CO 0.50 -0.00 0.25 -0.38 0.00 0.00 0.00 175.10 175.46 1k83 n ILE 911 N 5.00 1.54 -3.79 2.22 5.41 -0.17 -4.54 119.36 125.03 1k83 n ILE 911 Ca 0.04 -0.76 -0.24 0.00 1.00 0.00 0.00 62.75 62.79 1k83 n ILE 911 Cb 0.48 -1.02 -0.17 0.00 -0.71 0.00 0.00 39.64 38.22 1k83 n ILE 911 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1k83 s ILE 912 N -2.54 0.48 -0.30 1.39 1.01 -0.87 -3.34 121.20 117.03 1k83 s ILE 912 Ca -0.15 0.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.43 1k83 s ILE 912 Cb 0.07 -0.63 -0.03 0.00 0.01 0.00 0.00 42.46 41.88 1k83 s ILE 912 CO 0.78 0.26 0.20 -0.83 0.00 0.00 0.00 174.94 175.35 1k83 s GLY 913 N 1.93 1.93 0.01 6.18 0.00 0.27 -0.28 107.32 117.36 1k83 s GLY 913 Ca 0.05 -1.22 0.02 0.00 0.00 0.00 0.00 44.72 43.57 1k83 s GLY 913 CO -0.06 0.70 -0.08 1.25 0.00 0.00 0.00 173.10 174.91 1k83 s LYS 914 N 1.73 0.58 0.16 2.90 2.20 -1.19 -2.22 119.74 123.90 1k83 s LYS 914 Ca 0.06 -0.44 0.08 0.00 -0.36 0.00 0.00 55.97 55.31 1k83 s LYS 914 Cb -0.17 -0.50 -0.04 0.00 -1.51 0.00 0.00 37.83 35.61 1k83 s LYS 914 CO 0.10 0.13 -0.16 0.99 -0.36 0.00 0.00 175.35 176.04 1k83 s THR 915 N -0.58 1.67 -0.09 3.43 2.01 -0.55 -0.49 115.64 121.04 1k83 s THR 915 Ca -0.01 -1.91 -0.03 0.00 0.31 0.00 0.00 61.69 60.05 1k83 s THR 915 Cb -0.05 -1.79 0.04 0.00 0.01 0.00 0.00 72.50 70.71 1k83 s THR 915 CO 0.00 -0.39 0.09 -0.89 -0.69 0.00 0.00 174.62 172.73 1k83 s THR 916 N -2.24 -0.13 0.28 -0.82 2.01 -0.64 -2.15 115.64 111.96 1k83 s THR 916 Ca 0.15 0.23 -0.24 0.00 0.31 0.00 0.00 61.69 62.14 1k83 s THR 916 Cb -0.05 -0.30 -0.09 0.00 0.01 0.00 0.00 72.50 72.07 1k83 s THR 916 CO 0.06 0.03 0.87 -2.16 -0.69 0.00 0.00 174.62 172.72 1k83 s PRO 917 N 2.18 4.49 0.23 4.92 0.04 -1.26 -1.63 135.00 143.97 1k83 s PRO 917 Ca 0.04 1.18 0.03 0.00 0.04 0.00 0.00 61.00 62.30 1k83 s PRO 917 Cb -0.13 -2.88 0.23 0.00 0.04 0.00 0.00 34.50 31.76 1k83 s PRO 917 CO -0.05 0.34 1.55 0.66 0.04 0.00 0.00 177.00 179.54 1k83 h SER 933 N 3.36 0.31 -2.70 6.66 4.64 -1.78 -3.46 113.55 120.59 1k83 h SER 933 Ca -0.47 -0.18 -0.58 0.00 -0.47 0.00 0.00 61.79 60.09 1k83 h SER 933 Cb 1.19 -0.09 -0.39 0.00 -0.31 0.00 0.00 62.40 62.80 1k83 h SER 933 CO 0.65 0.84 -0.83 -0.54 -0.87 0.00 0.00 176.83 176.09 1k83 s LYS 934 N -3.77 0.57 -0.33 4.77 1.02 -1.25 -5.08 119.74 115.68 1k83 s LYS 934 Ca -0.04 -1.30 -0.17 0.00 0.02 0.00 0.00 55.97 54.48 1k83 s LYS 934 Cb 0.12 -1.38 -0.01 0.00 -0.52 0.00 0.00 37.83 36.03 1k83 s LYS 934 CO 0.80 -1.18 0.48 1.03 -0.92 0.00 0.00 175.35 175.56 1k83 s ARG 935 N 1.13 3.70 0.15 1.68 0.52 -0.65 -4.22 118.95 121.27 1k83 s ARG 935 Ca 0.17 -0.12 -0.31 0.00 -0.52 0.00 0.00 55.73 54.95 1k83 s ARG 935 Cb -0.22 -3.78 -0.10 0.00 0.52 0.00 0.00 34.95 31.37 1k83 s ARG 935 CO -0.03 -0.56 1.61 0.34 0.02 0.00 0.00 175.30 176.67 1k83 s ASP 936 N 1.72 6.56 -0.44 0.23 -1.08 -0.83 -1.61 116.67 121.22 1k83 s ASP 936 Ca 0.18 2.62 0.07 0.00 -0.52 0.00 0.00 52.55 54.91 1k83 s ASP 936 Cb -0.16 -2.59 0.24 0.00 -1.46 0.00 0.00 42.92 38.96 1k83 s ASP 936 CO 0.12 -0.85 0.55 0.00 0.52 0.00 0.00 175.17 175.51 1k83 n ALA 937 N 4.30 2.76 -2.43 3.66 0.00 0.35 -4.89 120.51 124.26 1k83 n ALA 937 Ca 0.14 -3.64 -0.26 0.00 0.00 0.00 0.00 53.44 49.69 1k83 n ALA 937 Cb 0.38 -0.83 -0.12 0.00 0.00 0.00 0.00 19.45 18.89 1k83 n ALA 937 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1k83 s SER 938 N -1.33 3.31 -0.34 0.00 1.04 -1.24 -3.16 113.70 111.98 1k83 s SER 938 Ca 0.36 -0.86 -0.18 0.00 0.48 0.00 0.00 55.95 55.75 1k83 s SER 938 Cb 0.15 -0.24 -0.01 0.00 0.10 0.00 0.00 66.02 66.03 1k83 s SER 938 CO -0.10 0.10 0.50 -0.89 0.98 0.00 0.00 173.24 173.83 1k83 s THR 939 N -1.68 5.04 0.03 2.02 2.01 0.62 -4.95 115.64 118.72 1k83 s THR 939 Ca 0.19 0.38 -0.04 0.00 0.31 0.00 0.00 61.69 62.53 1k83 s THR 939 Cb -0.08 -3.93 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 1k83 s THR 939 CO 0.09 -0.16 0.25 -2.16 -0.69 0.00 0.00 174.62 171.95 1k83 s PRO 940 N 2.35 3.52 0.64 4.92 0.04 -1.26 -1.00 135.00 144.20 1k83 s PRO 940 Ca 0.18 -0.21 -0.18 0.00 0.04 0.00 0.00 61.00 60.84 1k83 s PRO 940 Cb -0.16 -3.04 -0.03 0.00 0.04 0.00 0.00 34.50 31.31 1k83 s PRO 940 CO 0.13 0.62 1.06 -0.11 0.04 0.00 0.00 177.00 178.74 1k83 n LEU 941 N 0.76 4.42 -4.67 -3.56 7.94 0.12 -4.86 117.00 117.15 1k83 n LEU 941 Ca -0.09 0.79 -0.48 0.00 -1.11 0.00 0.00 56.01 55.13 1k83 n LEU 941 Cb 0.52 -1.44 -0.05 0.00 0.53 0.00 0.00 43.42 42.99 1k83 n LEU 941 CO 0.45 -1.64 1.31 0.54 -1.11 0.00 0.00 177.39 176.94 1k83 n ARG 942 N -1.42 2.07 -0.25 1.96 5.12 -1.26 -4.58 116.66 118.31 1k83 n ARG 942 Ca 0.15 0.75 -0.05 0.00 -1.93 0.00 0.00 57.85 56.77 1k83 n ARG 942 Cb 0.48 -2.55 0.00 0.00 -1.16 0.00 0.00 32.46 29.23 1k83 n ARG 942 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1k83 h SER 943 N 7.34 -1.33 0.00 0.55 4.64 -1.89 -0.56 113.55 122.30 1k83 h SER 943 Ca -0.47 0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1k83 h SER 943 Cb 1.27 0.65 0.00 0.00 -0.31 0.00 0.00 62.40 64.01 1k83 h SER 943 CO 0.91 -0.31 0.00 0.35 -0.87 0.00 0.00 176.83 176.91 1k83 n THR 944 N -5.43 0.00 -3.78 2.95 -2.24 -1.26 -4.68 114.28 99.84 1k83 n THR 944 Ca 0.05 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.60 1k83 n THR 944 Cb 0.36 -0.45 -0.05 0.00 -2.10 0.00 0.00 70.33 68.09 1k83 n THR 944 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1k83 s GLU 945 N -2.00 2.41 -0.30 -0.78 2.02 -0.22 -4.90 118.70 114.93 1k83 s GLU 945 Ca 0.33 -1.67 -0.18 0.00 0.02 0.00 0.00 54.97 53.47 1k83 s GLU 945 Cb 0.15 -2.22 0.21 0.00 0.10 0.00 0.00 34.13 32.36 1k83 s GLU 945 CO 0.25 -0.18 1.31 0.54 0.02 0.00 0.00 175.26 177.21 1k83 s ASN 946 N -4.05 -0.01 0.00 -0.19 4.22 -1.26 -4.10 114.94 109.54 1k83 s ASN 946 Ca 0.45 0.01 0.00 0.00 -2.14 0.00 0.00 52.86 51.18 1k83 s ASN 946 Cb -0.01 1.01 0.00 0.00 1.28 0.00 0.00 41.25 43.53 1k83 s ASN 946 CO 0.26 -0.00 0.00 0.61 -2.04 0.00 0.00 177.10 175.93 1k83 n GLY 947 N 3.95 4.05 2.98 0.45 0.00 -1.08 -4.83 105.19 110.72 1k83 n GLY 947 Ca -0.10 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 1k83 n GLY 947 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k83 s ILE 948 N 2.44 -0.00 0.07 -0.61 1.01 0.34 -2.24 121.20 122.20 1k83 s ILE 948 Ca 0.00 0.01 -0.31 0.00 0.00 0.00 0.00 60.65 60.35 1k83 s ILE 948 Cb 0.00 -0.16 -0.08 0.00 0.01 0.00 0.00 42.46 42.23 1k83 s ILE 948 CO 0.00 0.00 1.61 -0.69 0.00 0.00 0.00 174.94 175.86 1k83 s VAL 949 N 0.11 3.09 -0.10 2.92 1.01 -0.25 0.06 120.40 127.24 1k83 s VAL 949 Ca -0.00 0.57 0.20 0.00 0.00 0.00 0.00 61.98 62.75 1k83 s VAL 949 Cb -0.01 -3.37 -0.29 0.00 0.00 0.00 0.00 36.38 32.71 1k83 s VAL 949 CO -0.00 0.00 0.37 -0.67 0.00 0.00 0.00 175.10 174.81 1k83 n ASP 950 N 5.37 0.07 -3.65 3.32 -0.08 0.10 -1.95 116.55 119.74 1k83 n ASP 950 Ca 0.15 0.03 -0.00 0.00 -1.51 0.00 0.00 54.79 53.46 1k83 n ASP 950 Cb 0.41 1.50 -0.07 0.00 2.34 0.00 0.00 41.12 45.30 1k83 n ASP 950 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1k83 s GLN 951 N -3.12 0.01 -0.12 -0.67 -0.21 -1.03 -4.93 119.66 109.59 1k83 s GLN 951 Ca -0.08 0.02 0.03 0.00 0.02 0.00 0.00 55.36 55.34 1k83 s GLN 951 Cb 0.11 0.00 0.00 0.00 1.00 0.00 0.00 33.01 34.12 1k83 s GLN 951 CO 0.87 -0.00 -0.21 0.08 -2.12 0.00 0.00 175.29 173.91 1k83 s VAL 952 N 0.43 2.26 -0.10 1.09 1.01 -1.26 -0.77 120.40 123.06 1k83 s VAL 952 Ca 0.01 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.09 1k83 s VAL 952 Cb -0.04 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 1k83 s VAL 952 CO -0.14 0.55 -0.21 -0.22 0.00 0.00 0.00 175.10 175.08 1k83 s LEU 953 N 0.55 2.27 -0.18 3.92 0.20 -0.76 -4.97 118.68 119.71 1k83 s LEU 953 Ca -0.13 -0.48 -0.01 0.00 0.69 0.00 0.00 54.13 54.21 1k83 s LEU 953 Cb -0.17 -1.46 0.00 0.00 -0.43 0.00 0.00 46.19 44.13 1k83 s LEU 953 CO 0.04 0.18 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.45 1k83 s VAL 954 N 0.24 2.70 0.00 1.68 1.01 -1.26 -0.95 120.40 123.83 1k83 s VAL 954 Ca -0.14 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1k83 s VAL 954 Cb -0.17 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.04 1k83 s VAL 954 CO 0.07 0.50 0.00 0.41 0.00 0.00 0.00 175.10 176.08 1k83 n THR 955 N 4.43 0.00 -3.98 3.92 -1.04 0.21 -4.92 114.28 112.89 1k83 n THR 955 Ca -0.19 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.71 1k83 n THR 955 Cb 0.51 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.90 1k83 n THR 955 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1k83 s THR 956 N -1.33 0.18 0.00 12.58 2.01 -1.24 0.87 115.64 128.71 1k83 s THR 956 Ca 0.00 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.26 1k83 s THR 956 Cb 0.00 -0.28 0.00 0.00 0.01 0.00 0.00 72.50 72.23 1k83 s THR 956 CO 0.00 -0.36 0.00 -3.20 -0.69 0.00 0.00 174.62 170.37 1k83 n ASN 957 N 1.91 0.00 0.03 3.53 2.85 -0.53 -4.85 115.26 118.20 1k83 n ASN 957 Ca -0.21 -1.00 0.13 0.00 -0.11 0.00 0.00 54.58 53.39 1k83 n ASN 957 Cb 0.56 0.00 0.47 0.00 1.24 0.00 0.00 39.78 42.05 1k83 n ASN 957 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1k83 n GLN 958 N -1.00 0.09 0.00 1.20 6.02 -1.26 -2.56 117.38 119.87 1k83 n GLN 958 Ca 0.00 0.06 0.12 0.00 -0.01 0.00 0.00 57.00 57.17 1k83 n GLN 958 Cb 0.00 -1.59 0.10 0.00 1.02 0.00 0.00 30.24 29.77 1k83 n GLN 958 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1k83 n ASP 959 N -1.74 2.88 -0.29 1.08 8.00 -1.26 -4.15 116.55 121.08 1k83 n ASP 959 Ca 0.06 -1.94 -0.01 0.00 0.71 0.00 0.00 54.79 53.61 1k83 n ASP 959 Cb 0.37 0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 1k83 n ASP 959 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k83 n GLY 960 N 1.36 0.60 3.81 0.44 0.00 -1.06 -5.02 105.19 105.32 1k83 n GLY 960 Ca 0.14 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.99 1k83 n GLY 960 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k83 s LEU 961 N -0.59 4.52 -0.10 0.99 1.43 -1.26 -4.76 118.68 118.91 1k83 s LEU 961 Ca 0.01 1.23 -0.30 0.00 -1.03 0.00 0.00 54.13 54.04 1k83 s LEU 961 Cb -0.00 -2.87 -0.02 0.00 0.03 0.00 0.00 46.19 43.32 1k83 s LEU 961 CO 0.01 0.27 1.19 -0.54 0.23 0.00 0.00 176.35 177.51 1k83 s LYS 962 N -1.07 4.32 -0.01 1.70 1.02 -1.26 -1.46 119.74 122.98 1k83 s LYS 962 Ca 0.29 1.63 0.03 0.00 0.02 0.00 0.00 55.97 57.94 1k83 s LYS 962 Cb -0.19 -3.62 -0.03 0.00 -0.52 0.00 0.00 37.83 33.46 1k83 s LYS 962 CO 0.18 -0.52 -0.07 -0.06 -0.92 0.00 0.00 175.35 173.96 1k83 s PHE 963 N 2.62 2.88 -0.01 3.18 0.40 0.25 -4.00 117.98 123.30 1k83 s PHE 963 Ca 0.54 -0.04 0.00 0.00 -0.60 0.00 0.00 56.93 56.83 1k83 s PHE 963 Cb -0.23 -1.62 0.02 0.00 0.51 0.00 0.00 43.02 41.70 1k83 s PHE 963 CO 0.19 0.36 0.01 0.08 0.70 0.00 0.00 175.22 176.55 1k83 s VAL 964 N -0.96 0.06 -0.22 -0.44 1.01 -1.15 0.65 120.40 119.35 1k83 s VAL 964 Ca 0.16 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.19 1k83 s VAL 964 Cb -0.11 -0.12 0.07 0.00 0.00 0.00 0.00 36.38 36.22 1k83 s VAL 964 CO 0.06 0.07 0.05 -0.54 0.00 0.00 0.00 175.10 174.75 1k83 s LYS 965 N 0.58 0.66 -0.30 2.72 1.02 -0.12 -2.56 119.74 121.75 1k83 s LYS 965 Ca -0.05 -0.57 -0.12 0.00 0.02 0.00 0.00 55.97 55.24 1k83 s LYS 965 Cb -0.08 -2.04 -0.04 0.00 -0.52 0.00 0.00 37.83 35.15 1k83 s LYS 965 CO -0.01 -0.73 0.24 0.08 -0.92 0.00 0.00 175.35 174.01 1k83 s VAL 966 N 1.81 5.27 -0.28 3.17 1.01 0.11 -1.82 120.40 129.68 1k83 s VAL 966 Ca 0.02 0.12 -0.10 0.00 0.00 0.00 0.00 61.98 62.01 1k83 s VAL 966 Cb -0.17 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1k83 s VAL 966 CO -0.13 0.14 0.16 -0.60 0.00 0.00 0.00 175.10 174.67 1k83 s ARG 967 N 1.82 3.83 -0.17 2.72 3.52 0.05 0.56 118.95 131.28 1k83 s ARG 967 Ca 0.08 -0.39 -0.06 0.00 -0.13 0.00 0.00 55.73 55.24 1k83 s ARG 967 Cb -0.16 -3.58 -0.03 0.00 -1.56 0.00 0.00 34.95 29.61 1k83 s ARG 967 CO 0.11 -0.20 0.02 0.08 -0.81 0.00 0.00 175.30 174.49 1k83 s VAL 968 N 1.72 4.34 -0.09 7.11 1.01 0.92 0.02 120.40 135.43 1k83 s VAL 968 Ca 0.07 -0.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.75 1k83 s VAL 968 Cb -0.16 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 1k83 s VAL 968 CO 0.09 0.47 0.25 -0.60 0.00 0.00 0.00 175.10 175.30 1k83 s ARG 969 N 0.45 3.76 -0.03 2.72 3.52 0.11 -2.33 118.95 127.16 1k83 s ARG 969 Ca -0.00 0.07 -0.02 0.00 -0.13 0.00 0.00 55.73 55.66 1k83 s ARG 969 Cb -0.13 -3.25 0.01 0.00 -1.56 0.00 0.00 34.95 30.02 1k83 s ARG 969 CO 0.02 0.64 0.06 0.99 -0.81 0.00 0.00 175.30 176.20 1k83 s THR 970 N -0.74 -0.02 -0.06 4.11 2.01 0.41 -0.50 115.64 120.84 1k83 s THR 970 Ca 0.18 0.07 -0.11 0.00 0.31 0.00 0.00 61.69 62.14 1k83 s THR 970 Cb -0.14 -0.10 -0.05 0.00 0.01 0.00 0.00 72.50 72.22 1k83 s THR 970 CO 0.07 0.03 0.26 -0.89 -0.69 0.00 0.00 174.62 173.40 1k83 s THR 971 N 0.41 5.29 -0.20 -0.82 2.01 -1.26 0.78 115.64 121.84 1k83 s THR 971 Ca -0.03 0.50 0.01 0.00 0.31 0.00 0.00 61.69 62.48 1k83 s THR 971 Cb -0.05 -3.54 0.04 0.00 0.01 0.00 0.00 72.50 68.96 1k83 s THR 971 CO -0.01 0.60 -0.15 -0.54 -0.69 0.00 0.00 174.62 173.83 1k83 s LYS 972 N -1.04 2.51 -0.20 4.92 1.02 0.13 -4.95 119.74 122.12 1k83 s LYS 972 Ca 0.19 -0.94 -0.10 0.00 0.02 0.00 0.00 55.97 55.14 1k83 s LYS 972 Cb -0.14 -2.57 -0.05 0.00 -0.52 0.00 0.00 37.83 34.55 1k83 s LYS 972 CO 0.08 -0.36 0.14 0.42 -0.92 0.00 0.00 175.35 174.71 1k83 s ILE 973 N 1.28 5.40 0.06 2.17 1.01 -1.26 -1.71 121.20 128.15 1k83 s ILE 973 Ca -0.00 0.20 -0.37 0.00 0.00 0.00 0.00 60.65 60.48 1k83 s ILE 973 Cb -0.16 -3.48 -0.19 0.00 0.01 0.00 0.00 42.46 38.65 1k83 s ILE 973 CO -0.10 0.43 0.94 -2.65 0.00 0.00 0.00 174.94 173.56 1k83 n PRO 974 N 3.61 0.06 -4.05 2.79 -0.02 -1.26 -4.96 135.00 131.18 1k83 n PRO 974 Ca -0.16 0.02 -0.10 0.00 -2.02 0.00 0.00 63.50 61.25 1k83 n PRO 974 Cb 0.52 -1.40 -0.08 0.00 -0.02 0.00 0.00 33.50 32.52 1k83 n PRO 974 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1k83 s GLN 975 N -0.26 1.18 0.19 -0.52 -0.21 -1.26 -5.07 119.66 113.72 1k83 s GLN 975 Ca 0.83 -1.33 -0.33 0.00 0.02 0.00 0.00 55.36 54.55 1k83 s GLN 975 Cb -1.16 0.34 -0.13 0.00 1.00 0.00 0.00 33.01 33.07 1k83 s GLN 975 CO 0.56 -0.42 1.67 -0.89 -2.12 0.00 0.00 175.29 174.09 1k83 n ILE 976 N -0.23 0.02 0.00 1.08 5.41 -1.26 -1.81 119.36 122.57 1k83 n ILE 976 Ca -0.04 -0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.70 1k83 n ILE 976 Cb 0.64 -1.83 0.00 0.00 -0.71 0.00 0.00 39.64 37.74 1k83 n ILE 976 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1k83 n GLY 977 N 3.74 0.32 3.77 7.39 0.00 0.26 -4.85 105.19 115.83 1k83 n GLY 977 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1k83 n GLY 977 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k83 s ASP 978 N -1.99 7.34 0.08 1.61 1.01 -0.75 -4.23 116.67 119.75 1k83 s ASP 978 Ca 0.00 1.92 -0.17 0.00 0.71 0.00 0.00 52.55 55.01 1k83 s ASP 978 Cb 0.00 -2.59 -0.07 0.00 1.01 0.00 0.00 42.92 41.27 1k83 s ASP 978 CO 0.00 -0.07 0.54 -0.54 0.21 0.00 0.00 175.17 175.31 1k83 s LYS 979 N -1.84 4.09 0.01 8.23 1.02 -1.26 -1.61 119.74 128.36 1k83 s LYS 979 Ca 0.48 0.61 -0.05 0.00 0.02 0.00 0.00 55.97 57.03 1k83 s LYS 979 Cb -0.22 -3.14 -0.00 0.00 -0.52 0.00 0.00 37.83 33.95 1k83 s LYS 979 CO 0.28 0.60 0.09 -0.06 -0.92 0.00 0.00 175.35 175.34 1k83 s PHE 980 N -1.22 0.09 0.00 3.18 0.08 0.60 -1.99 117.98 118.72 1k83 s PHE 980 Ca 0.31 -0.22 -0.20 0.00 0.12 0.00 0.00 56.93 56.94 1k83 s PHE 980 Cb -0.18 -0.08 0.04 0.00 -0.57 0.00 0.00 43.02 42.23 1k83 s PHE 980 CO 0.18 -0.25 0.44 0.00 -0.10 0.00 0.00 175.22 175.49 1k83 s ALA 981 N -1.33 -1.11 0.90 5.36 0.00 -0.31 -0.80 121.76 124.47 1k83 s ALA 981 Ca -0.14 0.55 -0.05 0.00 0.00 0.00 0.00 51.96 52.31 1k83 s ALA 981 Cb -0.08 0.17 0.08 0.00 0.00 0.00 0.00 23.12 23.30 1k83 s ALA 981 CO 0.01 -0.37 0.51 -1.13 0.00 0.00 0.00 175.76 174.78 1k83 n SER 982 N 0.87 0.15 -1.96 0.00 3.41 -1.26 0.09 113.62 114.92 1k83 n SER 982 Ca -0.20 -1.25 -0.20 0.00 -0.26 0.00 0.00 58.87 56.96 1k83 n SER 982 Cb 0.58 -0.38 0.11 0.00 -0.26 0.00 0.00 64.21 64.26 1k83 n SER 982 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1k83 n ARG 983 N -2.06 2.01 -1.96 4.33 1.74 -1.26 -4.38 116.66 115.09 1k83 n ARG 983 Ca 0.07 -2.28 -0.13 0.00 -0.77 0.00 0.00 57.85 54.74 1k83 n ARG 983 Cb 0.23 -1.89 0.05 0.00 -1.02 0.00 0.00 32.46 29.84 1k83 n ARG 983 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1k83 n HIS 984 N -0.59 1.86 -3.73 -1.55 8.25 -1.26 -4.65 115.22 113.54 1k83 n HIS 984 Ca 0.45 -2.00 -0.23 0.00 -0.26 0.00 0.00 57.72 55.68 1k83 n HIS 984 Cb 1.16 -0.29 0.04 0.00 1.12 0.00 0.00 29.99 32.01 1k83 n HIS 984 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1k83 n GLY 985 N -0.68 -0.35 2.92 -1.41 0.00 -1.25 -4.88 105.19 99.53 1k83 n GLY 985 Ca 0.30 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 46.38 1k83 n GLY 985 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1k83 s GLN 986 N -6.10 0.41 0.75 1.61 2.00 -1.26 -4.81 119.66 112.25 1k83 s GLN 986 Ca 0.18 0.17 -0.03 0.00 -2.00 0.00 0.00 55.36 53.67 1k83 s GLN 986 Cb -0.09 -0.30 0.13 0.00 0.80 0.00 0.00 33.01 33.55 1k83 s GLN 986 CO 0.81 -1.01 1.03 -1.59 -0.50 0.00 0.00 175.29 174.04 1k83 s LYS 987 N 2.55 1.57 -0.08 1.67 -2.85 -1.26 -3.98 119.74 117.36 1k83 s LYS 987 Ca 0.10 -0.98 -0.30 0.00 -1.00 0.00 0.00 55.97 53.78 1k83 s LYS 987 Cb -0.13 -2.26 0.12 0.00 -2.06 0.00 0.00 37.83 33.50 1k83 s LYS 987 CO -0.29 -1.56 0.99 0.20 0.10 0.00 0.00 175.35 174.79 1k83 s GLY 988 N -4.74 -0.38 0.21 0.59 0.00 0.02 -4.93 107.32 98.08 1k83 s GLY 988 Ca 0.67 1.35 0.08 0.00 0.00 0.00 0.00 44.72 46.82 1k83 s GLY 988 CO 0.45 0.51 0.01 -0.51 0.00 0.00 0.00 173.10 173.56 1k83 s THR 989 N -2.58 3.67 0.01 0.90 -4.23 -1.20 -0.29 115.64 111.91 1k83 s THR 989 Ca 0.05 -1.58 -0.30 0.00 -1.18 0.00 0.00 61.69 58.68 1k83 s THR 989 Cb -0.01 -2.89 -0.06 0.00 1.34 0.00 0.00 72.50 70.88 1k83 s THR 989 CO -0.06 -0.21 1.49 -0.63 -0.54 0.00 0.00 174.62 174.67 1k83 s ILE 990 N -1.93 3.55 -0.11 2.99 1.01 -0.64 0.14 121.20 126.21 1k83 s ILE 990 Ca 0.29 0.91 0.13 0.00 0.00 0.00 0.00 60.65 61.98 1k83 s ILE 990 Cb -0.08 -3.59 -0.24 0.00 0.01 0.00 0.00 42.46 38.56 1k83 s ILE 990 CO 0.19 -0.01 0.41 0.61 0.00 0.00 0.00 174.94 176.14 1k83 n GLY 991 N 3.79 -0.95 3.50 6.18 0.00 0.14 0.92 105.19 118.76 1k83 n GLY 991 Ca 0.14 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1k83 n GLY 991 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1k83 s ILE 992 N -2.56 0.00 0.02 -0.61 2.07 -1.23 -4.86 121.20 114.04 1k83 s ILE 992 Ca -0.08 -0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.22 1k83 s ILE 992 Cb 0.07 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.64 1k83 s ILE 992 CO 0.82 0.00 -0.21 0.42 -1.91 0.00 0.00 174.94 174.06 1k83 s THR 993 N -3.16 1.67 0.20 4.00 -4.23 -1.26 -1.98 115.64 110.88 1k83 s THR 993 Ca 0.05 -1.07 0.11 0.00 -1.18 0.00 0.00 61.69 59.60 1k83 s THR 993 Cb -0.01 -1.42 -0.04 0.00 1.34 0.00 0.00 72.50 72.36 1k83 s THR 993 CO -0.09 0.32 -0.22 -0.31 -0.54 0.00 0.00 174.62 173.78 1k83 s TYR 994 N -0.66 2.34 0.13 3.99 4.12 0.26 -4.74 117.35 122.79 1k83 s TYR 994 Ca 0.08 -0.34 -0.14 0.00 0.02 0.00 0.00 57.07 56.69 1k83 s TYR 994 Cb -0.08 -1.14 -0.07 0.00 -1.52 0.00 0.00 41.96 39.15 1k83 s TYR 994 CO 0.01 0.53 0.53 1.03 0.02 0.00 0.00 175.55 177.66 1k83 s ARG 995 N -2.80 3.96 0.19 -0.62 0.52 -1.26 0.34 118.95 119.27 1k83 s ARG 995 Ca 0.22 0.45 0.01 0.00 -0.52 0.00 0.00 55.73 55.90 1k83 s ARG 995 Cb -0.08 -2.96 0.46 0.00 0.52 0.00 0.00 34.95 32.90 1k83 s ARG 995 CO 0.11 0.50 0.95 -2.13 0.02 0.00 0.00 175.30 174.76 1k83 n ARG 996 N 0.88 -0.05 -0.32 3.54 0.63 -1.26 0.35 116.66 120.43 1k83 n ARG 996 Ca -0.06 0.91 0.11 0.00 -0.92 0.00 0.00 57.85 57.89 1k83 n ARG 996 Cb 0.52 -1.45 0.29 0.00 0.45 0.00 0.00 32.46 32.27 1k83 n ARG 996 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1k83 h GLU 997 N 0.00 0.61 0.00 -0.14 5.08 -1.95 -2.08 114.58 116.11 1k83 h GLU 997 Ca 0.37 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.67 1k83 h GLU 997 Cb 0.76 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1k83 h GLU 997 CO -0.57 0.40 -0.63 -0.44 -1.00 0.00 0.00 179.01 176.77 1k83 h ASP 998 N 0.63 0.00 -4.22 1.42 3.32 -0.36 -3.43 116.42 113.79 1k83 h ASP 998 Ca 0.54 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 57.08 1k83 h ASP 998 Cb 0.87 0.00 0.18 0.00 0.22 0.00 0.00 39.33 40.60 1k83 h ASP 998 CO -0.41 0.08 0.23 -0.32 -1.72 0.00 0.00 179.24 177.10 1k83 s MET 999 N -3.25 1.17 0.65 3.56 1.75 -0.78 -4.08 119.30 118.32 1k83 s MET 999 Ca 0.02 1.41 -0.10 0.00 -1.25 0.00 0.00 55.69 55.78 1k83 s MET 999 Cb 0.08 -1.76 0.00 0.00 2.84 0.00 0.00 34.83 35.99 1k83 s MET 999 CO 0.74 -2.48 1.03 -1.25 -0.65 0.00 0.00 175.02 172.41 1k83 s PRO 1000N -4.70 3.02 0.07 4.11 0.04 -1.26 -3.22 135.00 133.06 1k83 s PRO 1000Ca 0.66 0.38 -0.07 0.00 0.04 0.00 0.00 61.00 62.01 1k83 s PRO 1000Cb -0.22 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 32.21 1k83 s PRO 1000CO 0.58 -0.85 0.13 -0.59 0.04 0.00 0.00 177.00 176.32 1k83 s PHE 1001N -3.22 0.24 0.43 0.56 -0.12 0.36 -4.25 117.98 111.97 1k83 s PHE 1001Ca 0.56 -0.68 -0.01 0.00 -0.05 0.00 0.00 56.93 56.75 1k83 s PHE 1001Cb -0.11 -0.14 -0.02 0.00 -0.63 0.00 0.00 43.02 42.12 1k83 s PHE 1001CO 0.50 -0.49 0.66 -0.08 -0.05 0.00 0.00 175.22 175.77 1k83 s THR 1002N -3.74 4.61 0.24 -4.49 -1.32 -0.24 0.42 115.64 111.12 1k83 s THR 1002Ca 0.04 -0.29 -0.05 0.00 -1.21 0.00 0.00 61.69 60.17 1k83 s THR 1002Cb 0.05 -3.71 0.20 0.00 -1.51 0.00 0.00 72.50 67.52 1k83 s THR 1002CO -0.10 -0.55 1.76 0.00 -2.21 0.00 0.00 174.62 173.52 1k83 h ALA 1003N 0.46 1.03 0.00 11.08 0.00 -1.89 0.49 119.26 130.42 1k83 h ALA 1003Ca -0.48 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1k83 h ALA 1003Cb 1.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1k83 h ALA 1003CO 0.60 -0.12 0.00 0.39 0.00 0.00 0.00 179.25 180.12 1k83 n GLU 1004N -4.93 0.32 -1.00 0.00 1.02 -1.26 -4.79 120.64 110.01 1k83 n GLU 1004Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 1k83 n GLU 1004Cb 0.34 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 1k83 n GLU 1004CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k83 n GLY 1005N -0.34 0.52 3.74 0.62 0.00 0.17 -5.01 105.19 104.89 1k83 n GLY 1005Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1k83 n GLY 1005CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k83 s ILE 1006N -2.09 4.02 0.09 -0.61 1.01 -1.25 -4.79 121.20 117.58 1k83 s ILE 1006Ca 0.00 1.77 0.07 0.00 0.00 0.00 0.00 60.65 62.49 1k83 s ILE 1006Cb 0.00 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 1k83 s ILE 1006CO 0.00 0.31 -0.19 0.54 0.00 0.00 0.00 174.94 175.60 1k83 s VAL 1007N -0.32 1.58 0.39 2.92 0.11 -1.26 -1.08 120.40 122.74 1k83 s VAL 1007Ca 0.48 -1.47 -0.25 0.00 -2.93 0.00 0.00 61.98 57.81 1k83 s VAL 1007Cb -0.28 -1.44 -0.09 0.00 -1.53 0.00 0.00 36.38 33.04 1k83 s VAL 1007CO 0.34 -0.08 1.12 -2.16 -3.33 0.00 0.00 175.10 170.98 1k83 s PRO 1008N -1.82 4.13 0.27 1.54 0.04 -1.26 -4.92 135.00 132.97 1k83 s PRO 1008Ca 0.05 1.71 0.22 0.00 0.04 0.00 0.00 61.00 63.01 1k83 s PRO 1008Cb -0.10 -2.66 0.09 0.00 0.04 0.00 0.00 34.50 31.88 1k83 s PRO 1008CO 0.04 -0.21 1.21 -0.44 0.04 0.00 0.00 177.00 177.64 1k83 h ASP 1009N 2.66 0.00 -3.52 6.66 3.32 -0.63 -3.41 116.42 121.50 1k83 h ASP 1009Ca -0.48 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.48 1k83 h ASP 1009Cb 1.23 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.53 1k83 h ASP 1009CO 0.63 0.06 -0.18 -0.22 -1.72 0.00 0.00 179.24 177.81 1k83 s LEU 1010N -5.69 -0.12 -0.26 1.55 2.96 -1.01 -1.43 118.68 114.67 1k83 s LEU 1010Ca 0.02 1.03 0.03 0.00 -0.22 0.00 0.00 54.13 54.99 1k83 s LEU 1010Cb 0.08 1.66 0.06 0.00 0.50 0.00 0.00 46.19 48.49 1k83 s LEU 1010CO 0.75 -0.19 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.86 1k83 s ILE 1011N 0.89 2.21 0.36 6.68 1.01 0.03 -0.49 121.20 131.90 1k83 s ILE 1011Ca -0.05 -1.63 0.07 0.00 0.00 0.00 0.00 60.65 59.04 1k83 s ILE 1011Cb -0.06 -2.30 -0.00 0.00 0.01 0.00 0.00 42.46 40.11 1k83 s ILE 1011CO -0.07 -0.04 0.51 0.27 0.00 0.00 0.00 174.94 175.61 1k83 s ILE 1012N 1.11 3.78 -0.01 2.92 -4.36 -0.94 -2.30 121.20 121.39 1k83 s ILE 1012Ca -0.09 -0.98 -0.13 0.00 -0.26 0.00 0.00 60.65 59.20 1k83 s ILE 1012Cb -0.20 -3.30 -0.05 0.00 1.25 0.00 0.00 42.46 40.16 1k83 s ILE 1012CO -0.05 -0.12 0.36 0.21 0.24 0.00 0.00 174.94 175.58 1k83 s ASN 1013N -4.22 6.71 0.48 4.36 3.84 -1.26 -1.44 114.94 123.41 1k83 s ASN 1013Ca 0.48 0.85 0.32 0.00 0.21 0.00 0.00 52.86 54.72 1k83 s ASN 1013Cb -0.10 -2.21 1.33 0.00 -0.55 0.00 0.00 41.25 39.72 1k83 s ASN 1013CO 0.32 0.33 1.93 1.55 -2.79 0.00 0.00 177.10 178.44 1k83 h PRO 1014N 4.65 0.00 0.00 0.43 0.13 -1.87 -2.86 132.00 132.47 1k83 h PRO 1014Ca -0.52 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1k83 h PRO 1014Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1k83 h PRO 1014CO 0.61 0.00 -0.02 0.45 -0.23 0.00 0.00 178.00 178.82 1k83 h HIS 1015N 0.00 0.00 -0.30 1.56 3.86 -1.96 -2.40 115.15 115.91 1k83 h HIS 1015Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1k83 h HIS 1015Cb 0.44 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.91 1k83 h HIS 1015CO 0.00 0.02 0.00 0.00 0.86 0.00 0.00 177.93 178.81 1k83 n ALA 1016N -2.10 2.89 -0.10 2.45 0.00 -1.08 -4.37 120.51 118.20 1k83 n ALA 1016Ca 0.01 -0.79 -0.20 0.00 0.00 0.00 0.00 53.44 52.46 1k83 n ALA 1016Cb 0.32 -1.03 -0.07 0.00 0.00 0.00 0.00 19.45 18.67 1k83 n ALA 1016CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1k83 n ILE 1017N 0.38 1.35 -0.04 0.00 2.08 -0.90 -4.51 119.36 117.71 1k83 n ILE 1017Ca 0.13 -0.16 -0.07 0.00 0.56 0.00 0.00 62.75 63.20 1k83 n ILE 1017Cb 0.55 -1.96 -0.05 0.00 -0.75 0.00 0.00 39.64 37.43 1k83 n ILE 1017CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 1k83 h PRO 1018N -0.85 -0.23 -0.29 0.38 0.11 -1.76 -3.18 132.00 126.18 1k83 h PRO 1018Ca -0.41 0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.78 1k83 h PRO 1018Cb 1.30 0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.41 1k83 h PRO 1018CO -0.25 -0.16 -0.08 0.66 -0.21 0.00 0.00 178.00 177.97 1k83 h SER 1019N -0.24 -0.29 -0.13 -2.05 4.64 -1.87 -2.70 113.55 110.91 1k83 h SER 1019Ca 0.03 0.09 0.04 0.00 -0.47 0.00 0.00 61.79 61.47 1k83 h SER 1019Cb 0.32 0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1k83 h SER 1019CO -0.27 -0.10 0.32 0.03 -0.87 0.00 0.00 176.83 175.94 1k83 h ARG 1020N -0.01 0.00 -0.55 4.77 2.47 -1.78 -3.44 114.38 115.84 1k83 h ARG 1020Ca 0.14 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 58.62 1k83 h ARG 1020Cb 0.22 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 28.45 1k83 h ARG 1020CO -0.30 0.00 -0.21 -1.33 0.56 0.00 0.00 179.97 178.68 1k83 n MET 1021N -3.24 -1.17 -2.63 0.04 2.81 -1.02 -4.60 117.12 107.31 1k83 n MET 1021Ca 0.01 0.87 -0.43 0.00 -1.81 0.00 0.00 57.70 56.34 1k83 n MET 1021Cb 0.41 -5.01 0.00 0.00 -0.71 0.00 0.00 33.22 27.91 1k83 n MET 1021CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1k83 n THR 1022N -2.48 4.12 0.06 2.03 5.66 -1.26 -3.06 114.28 119.35 1k83 n THR 1022Ca -0.12 -4.36 -0.15 0.00 -3.05 0.00 0.00 64.05 56.37 1k83 n THR 1022Cb 0.47 -2.43 -0.06 0.00 -1.55 0.00 0.00 70.33 66.76 1k83 n THR 1022CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 1k83 h VAL 1023N 4.64 1.36 -1.01 1.08 2.07 -1.90 -3.29 116.25 119.20 1k83 h VAL 1023Ca 0.39 -2.36 0.26 0.00 0.82 0.00 0.00 66.70 65.80 1k83 h VAL 1023Cb 0.80 2.38 -0.12 0.00 -1.52 0.00 0.00 31.29 32.84 1k83 h VAL 1023CO 1.43 0.71 0.61 0.00 0.02 0.00 0.00 177.57 180.34 1k83 h ALA 1024N 0.64 1.88 -0.97 1.67 0.00 -1.82 0.34 119.26 121.00 1k83 h ALA 1024Ca -0.09 0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1k83 h ALA 1024Cb 1.60 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.35 1k83 h ALA 1024CO 0.17 -0.36 0.63 1.25 0.00 0.00 0.00 179.25 180.95 1k83 h HIS 1025N 0.53 1.16 -0.39 0.00 6.17 -1.87 0.71 115.15 121.45 1k83 h HIS 1025Ca 0.65 0.03 -0.16 0.00 0.71 0.00 0.00 60.37 61.60 1k83 h HIS 1025Cb 1.31 -0.38 -0.01 0.00 2.52 0.00 0.00 27.41 30.86 1k83 h HIS 1025CO -0.01 0.61 -0.36 -0.07 0.71 0.00 0.00 177.93 178.81 1k83 h LEU 1026N 1.14 1.00 -0.17 0.26 3.38 -0.51 -2.63 115.31 117.78 1k83 h LEU 1026Ca 0.42 -0.46 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 1k83 h LEU 1026Cb 0.16 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1k83 h LEU 1026CO -0.16 1.25 -0.53 0.40 0.09 0.00 0.00 178.44 179.48 1k83 h ILE 1027N 0.76 1.32 -0.92 1.22 2.04 -0.60 -2.46 117.51 118.86 1k83 h ILE 1027Ca 0.07 -1.78 0.11 0.00 1.00 0.00 0.00 64.86 64.26 1k83 h ILE 1027Cb 0.96 1.95 -0.07 0.00 -0.74 0.00 0.00 36.82 38.92 1k83 h ILE 1027CO 0.09 0.55 0.59 -0.08 0.00 0.00 0.00 178.15 179.31 1k83 h GLU 1028N 0.35 0.87 0.81 2.37 4.81 0.41 0.46 114.58 124.66 1k83 h GLU 1028Ca -0.02 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1k83 h GLU 1028Cb 1.16 -0.20 0.01 0.00 0.63 0.00 0.00 28.75 30.35 1k83 h GLU 1028CO 0.11 0.57 -0.39 0.00 -0.73 0.00 0.00 179.01 178.58 1k83 h LEU 1030N -1.27 0.02 0.22 0.00 5.85 -0.93 -0.01 115.31 119.19 1k83 h LEU 1030Ca -0.11 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1k83 h LEU 1030Cb 0.83 0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.04 1k83 h LEU 1030CO 0.18 -0.02 -0.11 0.25 -0.34 0.00 0.00 178.44 178.41 1k83 h LEU 1031N 0.28 -0.25 -0.80 2.25 5.85 0.03 -2.99 115.31 119.68 1k83 h LEU 1031Ca 0.40 -0.04 0.09 0.00 0.84 0.00 0.00 57.88 59.17 1k83 h LEU 1031Cb 0.66 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.68 1k83 h LEU 1031CO -0.48 -0.13 0.46 0.28 -0.34 0.00 0.00 178.44 178.23 1k83 h SER 1032N -0.35 0.66 -0.05 1.25 0.02 0.19 -1.52 113.55 113.75 1k83 h SER 1032Ca -0.03 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1k83 h SER 1032Cb 0.27 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.68 1k83 h SER 1032CO 0.05 0.39 -0.18 0.50 -1.14 0.00 0.00 176.83 176.45 1k83 h LYS 1033N 0.79 -0.26 -0.44 3.45 3.64 -1.07 -0.06 116.57 122.62 1k83 h LYS 1033Ca 0.38 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.83 1k83 h LYS 1033Cb 0.33 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.16 1k83 h LYS 1033CO -0.23 -0.17 0.17 0.28 -2.27 0.00 0.00 179.45 177.22 1k83 h VAL 1034N -0.27 0.88 -0.67 2.00 2.07 -1.29 0.03 116.25 119.00 1k83 h VAL 1034Ca 0.07 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.50 1k83 h VAL 1034Cb 0.37 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1k83 h VAL 1034CO -0.21 0.06 0.41 0.00 0.02 0.00 0.00 177.57 177.86 1k83 h ALA 1035N 1.28 0.87 -0.34 1.67 0.00 -0.66 -0.32 119.26 121.76 1k83 h ALA 1035Ca 0.20 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 1k83 h ALA 1035Cb 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1k83 h ALA 1035CO -0.20 0.18 -0.31 0.00 0.00 0.00 0.00 179.25 178.92 1k83 h ALA 1036N 1.29 0.83 0.00 0.00 0.00 -0.55 0.51 119.26 121.33 1k83 h ALA 1036Ca 0.27 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1k83 h ALA 1036Cb 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1k83 h ALA 1036CO -0.11 0.64 -0.43 -0.07 0.00 0.00 0.00 179.25 179.28 1k83 h LEU 1037N 0.62 0.00 -1.38 0.00 3.38 -0.54 -3.25 115.31 114.13 1k83 h LEU 1037Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1k83 h LEU 1037Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1k83 h LEU 1037CO 0.07 0.43 -0.00 -1.54 0.09 0.00 0.00 178.44 177.49 1k83 n SER 1038N -3.75 1.83 -0.43 -0.43 3.41 -0.17 -5.00 113.62 109.08 1k83 n SER 1038Ca -0.01 -1.42 -0.06 0.00 -0.26 0.00 0.00 58.87 57.13 1k83 n SER 1038Cb 0.50 0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.44 1k83 n SER 1038CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k83 n GLY 1039N 0.58 0.69 3.72 5.00 0.00 0.18 -5.00 105.19 110.36 1k83 n GLY 1039Ca 0.06 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 1k83 n GLY 1039CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k83 s ASN 1040N -2.36 5.27 0.08 1.61 0.01 -0.98 -5.02 114.94 113.55 1k83 s ASN 1040Ca 0.00 -0.05 -0.30 0.00 -0.71 0.00 0.00 52.86 51.79 1k83 s ASN 1040Cb 0.00 -1.36 -0.06 0.00 0.41 0.00 0.00 41.25 40.24 1k83 s ASN 1040CO 0.00 0.21 1.17 -0.70 -1.51 0.00 0.00 177.10 176.27 1k83 s GLU 1041N -2.09 4.46 -0.05 -0.60 2.12 -1.26 -4.43 118.70 116.86 1k83 s GLU 1041Ca 0.25 1.75 -0.29 0.00 0.36 0.00 0.00 54.97 57.04 1k83 s GLU 1041Cb -0.12 -3.34 -0.02 0.00 0.26 0.00 0.00 34.13 30.91 1k83 s GLU 1041CO 0.17 -0.19 0.96 0.20 -0.54 0.00 0.00 175.26 175.86 1k83 s GLY 1042N 0.85 2.66 -0.42 -1.50 0.00 -0.49 -4.96 107.32 103.46 1k83 s GLY 1042Ca 0.57 0.43 -0.25 0.00 0.00 0.00 0.00 44.72 45.47 1k83 s GLY 1042CO 0.30 1.73 0.89 -0.35 0.00 0.00 0.00 173.10 175.67 1k83 s ASP 1043N 1.03 6.55 -0.17 1.64 2.15 -1.26 -0.02 116.67 126.58 1k83 s ASP 1043Ca 0.49 0.26 0.17 0.00 0.43 0.00 0.00 52.55 53.89 1k83 s ASP 1043Cb -0.20 -2.44 0.47 0.00 -0.30 0.00 0.00 42.92 40.45 1k83 s ASP 1043CO 0.23 -0.94 1.35 0.00 -0.17 0.00 0.00 175.17 175.65 1k83 n ALA 1044N 6.90 2.88 -1.77 3.66 0.00 0.27 -4.89 120.51 127.56 1k83 n ALA 1044Ca 0.05 -2.45 -0.40 0.00 0.00 0.00 0.00 53.44 50.64 1k83 n ALA 1044Cb 0.48 -0.63 -0.02 0.00 0.00 0.00 0.00 19.45 19.29 1k83 n ALA 1044CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1k83 s SER 1045N -2.23 6.67 0.59 0.00 0.01 -1.14 0.33 113.70 117.92 1k83 s SER 1045Ca 0.40 2.65 -0.16 0.00 1.31 0.00 0.00 55.95 60.14 1k83 s SER 1045Cb 0.33 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.88 1k83 s SER 1045CO 0.07 -0.60 1.07 -2.16 0.41 0.00 0.00 173.24 172.03 1k83 s PRO 1046N -1.91 3.30 -1.08 12.44 0.04 -1.26 -4.15 135.00 142.37 1k83 s PRO 1046Ca 0.51 1.29 -0.07 0.00 0.04 0.00 0.00 61.00 62.77 1k83 s PRO 1046Cb -0.39 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.14 1k83 s PRO 1046CO 0.51 -0.84 0.94 1.19 0.04 0.00 0.00 177.00 178.84 1k83 n PHE 1047N -1.90 -2.28 -4.57 0.56 0.99 -1.26 -4.75 117.46 104.25 1k83 n PHE 1047Ca 0.09 0.81 -0.28 0.00 -0.00 0.00 0.00 57.45 58.08 1k83 n PHE 1047Cb 0.52 -4.27 -0.05 0.00 -1.00 0.00 0.00 39.48 34.68 1k83 n PHE 1047CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1k83 n THR 1048N -4.44 0.00 0.92 4.37 -2.24 -1.26 -5.01 114.28 106.63 1k83 n THR 1048Ca -0.01 -2.09 0.11 0.00 -2.27 0.00 0.00 64.05 59.79 1k83 n THR 1048Cb 0.56 0.36 0.31 0.00 -2.10 0.00 0.00 70.33 69.46 1k83 n THR 1048CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1k83 n ASP 1049N -1.34 2.27 -4.75 3.42 8.00 -1.26 -4.94 116.55 117.95 1k83 n ASP 1049Ca -0.17 -1.82 -0.41 0.00 0.71 0.00 0.00 54.79 53.10 1k83 n ASP 1049Cb 0.56 -0.15 -0.02 0.00 -0.02 0.00 0.00 41.12 41.49 1k83 n ASP 1049CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1k83 s ILE 1050N -1.69 2.24 0.15 0.53 1.01 -1.26 -4.95 121.20 117.23 1k83 s ILE 1050Ca 0.34 0.21 0.06 0.00 0.00 0.00 0.00 60.65 61.26 1k83 s ILE 1050Cb 0.19 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 1k83 s ILE 1050CO 0.28 0.04 -0.14 -0.89 0.00 0.00 0.00 174.94 174.22 1k83 s THR 1051N -0.11 1.42 0.35 2.92 2.01 -1.26 -5.01 115.64 115.96 1k83 s THR 1051Ca 0.61 -1.89 0.06 0.00 0.31 0.00 0.00 61.69 60.78 1k83 s THR 1051Cb -0.46 -1.71 0.15 0.00 0.01 0.00 0.00 72.50 70.49 1k83 s THR 1051CO 0.48 -0.50 1.87 0.58 -0.69 0.00 0.00 174.62 176.36 1k83 h VAL 1052N 3.19 1.20 -0.28 3.82 2.07 -1.95 0.21 116.25 124.51 1k83 h VAL 1052Ca -0.39 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 66.26 1k83 h VAL 1052Cb 1.20 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1k83 h VAL 1052CO 0.55 0.28 0.07 -0.33 0.02 0.00 0.00 177.57 178.15 1k83 h GLU 1053N 0.39 0.45 -0.47 1.57 4.39 -1.95 0.24 114.58 119.21 1k83 h GLU 1053Ca 0.08 -0.11 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 1k83 h GLU 1053Cb 0.38 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1k83 h GLU 1053CO 0.02 0.53 0.12 0.78 -1.16 0.00 0.00 179.01 179.31 1k83 h GLY 1054N 0.29 0.80 1.70 -3.84 0.00 -1.81 -2.19 103.07 98.01 1k83 h GLY 1054Ca 0.09 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 46.84 1k83 h GLY 1054CO 0.00 0.46 -0.26 -2.22 0.00 0.00 0.00 176.54 174.52 1k83 h ILE 1055N 0.63 1.26 0.00 2.60 2.04 -0.40 -2.38 117.51 121.26 1k83 h ILE 1055Ca 0.15 -1.22 -0.09 0.00 1.00 0.00 0.00 64.86 64.70 1k83 h ILE 1055Cb 0.31 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1k83 h ILE 1055CO -0.00 0.38 -0.44 0.28 0.00 0.00 0.00 178.15 178.37 1k83 h SER 1056N 0.31 0.00 0.10 1.72 0.02 -0.24 -1.82 113.55 113.65 1k83 h SER 1056Ca 0.05 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1k83 h SER 1056Cb 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1k83 h SER 1056CO 0.05 0.44 -0.05 0.11 -1.14 0.00 0.00 176.83 176.23 1k83 h LYS 1057N 0.00 -0.13 -1.00 3.45 1.57 -0.91 -1.22 116.57 118.34 1k83 h LYS 1057Ca -0.00 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 58.93 1k83 h LYS 1057Cb 0.80 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 33.05 1k83 h LYS 1057CO 0.06 0.29 0.61 -0.07 -0.57 0.00 0.00 179.45 179.77 1k83 h LEU 1058N -0.60 0.85 -0.62 2.94 3.38 -1.29 -0.30 115.31 119.67 1k83 h LEU 1058Ca -0.01 0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 1k83 h LEU 1058Cb 0.48 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1k83 h LEU 1058CO 0.02 0.39 -0.57 0.25 0.09 0.00 0.00 178.44 178.63 1k83 h LEU 1059N 0.88 0.41 -0.56 1.67 5.85 -1.29 -3.09 115.31 119.19 1k83 h LEU 1059Ca 0.53 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.99 1k83 h LEU 1059Cb 0.66 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1k83 h LEU 1059CO -0.32 0.89 0.19 -0.09 -0.34 0.00 0.00 178.44 178.77 1k83 h ARG 1060N 0.28 0.85 -0.69 1.25 9.65 0.18 -1.98 114.38 123.92 1k83 h ARG 1060Ca 0.00 -0.17 0.17 0.00 -1.10 0.00 0.00 59.98 58.88 1k83 h ARG 1060Cb 1.08 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 29.49 1k83 h ARG 1060CO 0.10 0.76 0.48 0.93 2.80 0.00 0.00 179.97 185.04 1k83 h GLU 1061N 0.77 0.18 -0.01 0.20 5.08 -1.19 0.37 114.58 119.98 1k83 h GLU 1061Ca 0.18 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1k83 h GLU 1061Cb 0.25 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1k83 h GLU 1061CO -0.01 0.12 0.00 0.72 -1.00 0.00 0.00 179.01 178.84 1k83 n HIS 1062N -4.41 0.01 -0.52 4.33 8.25 -0.75 -4.89 115.22 117.25 1k83 n HIS 1062Ca 0.13 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1k83 n HIS 1062Cb 0.63 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.74 1k83 n HIS 1062CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1k83 n GLY 1063N 0.83 0.74 3.64 -1.41 0.00 0.13 -5.07 105.19 104.04 1k83 n GLY 1063Ca 0.15 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 1k83 n GLY 1063CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k83 s TYR 1064N -2.00 2.81 -0.10 1.61 1.51 -1.20 -5.05 117.35 114.93 1k83 s TYR 1064Ca 0.00 -0.14 -0.29 0.00 -1.01 0.00 0.00 57.07 55.62 1k83 s TYR 1064Cb 0.00 -1.39 -0.06 0.00 -0.11 0.00 0.00 41.96 40.40 1k83 s TYR 1064CO 0.00 0.50 1.92 1.14 -1.11 0.00 0.00 175.55 178.00 1k83 s GLN 1065N -2.75 3.81 0.64 -0.62 1.03 -1.26 -3.92 119.66 116.58 1k83 s GLN 1065Ca 0.26 2.20 0.12 0.00 0.04 0.00 0.00 55.36 57.98 1k83 s GLN 1065Cb -0.10 -4.17 0.43 0.00 0.03 0.00 0.00 33.01 29.20 1k83 s GLN 1065CO 0.17 -1.32 1.15 0.66 -2.54 0.00 0.00 175.29 173.42 1k83 h SER 1066N 11.66 0.00 -0.91 12.60 4.64 -1.87 -2.61 113.55 137.06 1k83 h SER 1066Ca -0.43 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.41 1k83 h SER 1066Cb 1.21 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 63.02 1k83 h SER 1066CO 0.96 0.00 0.56 0.54 -0.87 0.00 0.00 176.83 178.02 1k83 n ARG 1067N -2.83 2.24 -0.31 4.77 5.12 -1.26 -4.42 116.66 119.97 1k83 n ARG 1067Ca 0.10 -3.07 0.00 0.00 -1.93 0.00 0.00 57.85 52.95 1k83 n ARG 1067Cb 1.20 -2.14 0.00 0.00 -1.16 0.00 0.00 32.46 30.36 1k83 n ARG 1067CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1k83 n GLY 1068N -1.13 1.57 3.84 -0.13 0.00 -0.98 -4.98 105.19 103.38 1k83 n GLY 1068Ca 0.56 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.28 1k83 n GLY 1068CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1k83 s PHE 1069N -2.63 3.22 -0.15 1.61 0.40 -1.25 -2.02 117.98 117.15 1k83 s PHE 1069Ca 0.00 1.27 -0.22 0.00 -0.60 0.00 0.00 56.93 57.38 1k83 s PHE 1069Cb 0.00 -2.92 0.05 0.00 0.51 0.00 0.00 43.02 40.66 1k83 s PHE 1069CO 0.00 -1.20 0.56 -1.21 0.70 0.00 0.00 175.22 174.07 1k83 s GLU 1070N -5.15 0.76 0.21 0.44 2.02 -0.81 -4.40 118.70 111.77 1k83 s GLU 1070Ca 0.58 0.53 -0.30 0.00 0.02 0.00 0.00 54.97 55.81 1k83 s GLU 1070Cb -0.13 0.36 -0.08 0.00 0.10 0.00 0.00 34.13 34.38 1k83 s GLU 1070CO 0.54 -0.15 1.19 0.08 0.02 0.00 0.00 175.26 176.94 1k83 s VAL 1071N -0.27 3.51 0.12 2.63 1.01 -1.26 -1.67 120.40 124.47 1k83 s VAL 1071Ca -0.04 1.32 0.04 0.00 0.00 0.00 0.00 61.98 63.30 1k83 s VAL 1071Cb -0.03 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1k83 s VAL 1071CO 0.03 0.23 -0.11 -0.04 0.00 0.00 0.00 175.10 175.22 1k83 s MET 1072N -0.52 0.95 -0.00 2.72 -1.94 -1.26 -4.25 119.30 115.00 1k83 s MET 1072Ca 0.51 -1.27 0.07 0.00 -1.71 0.00 0.00 55.69 53.29 1k83 s MET 1072Cb -0.33 -0.64 -0.03 0.00 2.01 0.00 0.00 34.83 35.84 1k83 s MET 1072CO 0.38 0.10 -0.22 0.71 -0.01 0.00 0.00 175.02 175.98 1k83 s TYR 1073N -2.67 2.46 0.17 -0.03 1.51 0.17 -1.20 117.35 117.75 1k83 s TYR 1073Ca 0.10 -0.33 -0.30 0.00 -1.01 0.00 0.00 57.07 55.52 1k83 s TYR 1073Cb -0.01 -1.50 -0.08 0.00 -0.11 0.00 0.00 41.96 40.25 1k83 s TYR 1073CO 0.01 0.10 1.32 1.21 -1.11 0.00 0.00 175.55 177.08 1k83 s ASN 1074N -0.92 6.90 0.13 2.29 3.84 0.82 -0.49 114.94 127.51 1k83 s ASN 1074Ca 0.12 2.36 0.21 0.00 0.21 0.00 0.00 52.86 55.76 1k83 s ASN 1074Cb -0.10 -2.60 0.86 0.00 -0.55 0.00 0.00 41.25 38.86 1k83 s ASN 1074CO 0.01 -0.55 1.66 0.61 -2.79 0.00 0.00 177.10 176.04 1k83 n GLY 1075N 2.67 -1.27 0.09 1.21 0.00 -1.20 0.22 105.19 106.92 1k83 n GLY 1075Ca 0.07 -0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 1k83 n GLY 1075CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1k83 n HIS 1076N -1.88 0.87 -0.04 1.61 8.25 -1.26 -4.58 115.22 118.18 1k83 n HIS 1076Ca 0.04 0.30 -0.05 0.00 -0.26 0.00 0.00 57.72 57.74 1k83 n HIS 1076Cb 0.25 -1.09 -0.05 0.00 1.12 0.00 0.00 29.99 30.23 1k83 n HIS 1076CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1k83 n THR 1077N -2.90 0.49 0.00 1.59 -1.04 -1.19 -4.99 114.28 106.24 1k83 n THR 1077Ca -0.14 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.64 1k83 n THR 1077Cb 0.92 -0.81 0.00 0.00 -1.82 0.00 0.00 70.33 68.62 1k83 n THR 1077CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1k83 n GLY 1078N 2.88 1.83 3.77 3.41 0.00 0.13 -5.02 105.19 112.20 1k83 n GLY 1078Ca -0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 1k83 n GLY 1078CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1k83 s LYS 1079N -0.72 3.90 1.04 1.61 2.20 -1.26 -4.56 119.74 121.95 1k83 s LYS 1079Ca 0.00 1.82 -0.12 0.00 -0.36 0.00 0.00 55.97 57.32 1k83 s LYS 1079Cb 0.00 -2.54 0.21 0.00 -1.51 0.00 0.00 37.83 33.99 1k83 s LYS 1079CO 0.00 -0.45 1.08 0.15 -0.36 0.00 0.00 175.35 175.77 1k83 s LYS 1080N -2.50 0.09 -0.03 4.03 1.02 -1.26 -0.12 119.74 120.96 1k83 s LYS 1080Ca 0.60 1.07 -0.03 0.00 0.02 0.00 0.00 55.97 57.64 1k83 s LYS 1080Cb -0.30 -1.65 -0.04 0.00 -0.52 0.00 0.00 37.83 35.32 1k83 s LYS 1080CO 0.37 -3.11 0.13 -0.51 -0.92 0.00 0.00 175.35 171.31 1k83 s LEU 1081N -6.84 4.15 0.46 3.17 1.43 -0.34 -4.63 118.68 116.08 1k83 s LEU 1081Ca 0.67 0.28 0.23 0.00 -1.03 0.00 0.00 54.13 54.29 1k83 s LEU 1081Cb -0.23 -2.35 1.11 0.00 0.03 0.00 0.00 46.19 44.76 1k83 s LEU 1081CO 0.61 0.30 1.93 -0.03 0.23 0.00 0.00 176.35 179.39 1k83 h MET 1082N 4.20 0.00 -6.11 1.70 1.85 -1.95 -3.43 114.93 111.18 1k83 h MET 1082Ca -0.50 0.00 -0.64 0.00 -0.61 0.00 0.00 59.70 57.95 1k83 h MET 1082Cb 1.19 0.00 -0.09 0.00 0.43 0.00 0.00 31.60 33.14 1k83 h MET 1082CO 0.64 0.21 -0.59 0.00 -0.40 0.00 0.00 176.91 176.77 1k83 s ALA 1083N -3.97 3.61 0.13 0.39 0.00 -1.26 -5.11 121.76 115.55 1k83 s ALA 1083Ca -0.02 -0.96 -0.05 0.00 0.00 0.00 0.00 51.96 50.94 1k83 s ALA 1083Cb 0.12 -1.51 -0.05 0.00 0.00 0.00 0.00 23.12 21.68 1k83 s ALA 1083CO 0.63 0.74 0.36 -0.65 0.00 0.00 0.00 175.76 176.84 1k83 s GLN 1084N -2.22 3.61 -0.13 0.00 1.11 -1.26 -4.58 119.66 116.19 1k83 s GLN 1084Ca 0.28 -0.10 -0.02 0.00 0.01 0.00 0.00 55.36 55.53 1k83 s GLN 1084Cb -0.12 -2.88 -0.03 0.00 -1.01 0.00 0.00 33.01 28.97 1k83 s GLN 1084CO 0.20 0.49 -0.05 0.42 0.01 0.00 0.00 175.29 176.36 1k83 s ILE 1085N -1.62 3.77 -0.19 1.08 1.01 -0.67 -4.81 121.20 119.78 1k83 s ILE 1085Ca 0.40 -0.42 -0.29 0.00 0.00 0.00 0.00 60.65 60.34 1k83 s ILE 1085Cb -0.12 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 1k83 s ILE 1085CO 0.24 0.53 1.74 0.12 0.00 0.00 0.00 174.94 177.57 1k83 s PHE 1086N -0.01 1.88 -0.02 3.97 5.36 -1.26 -1.92 117.98 125.97 1k83 s PHE 1086Ca 0.00 0.41 0.04 0.00 -0.96 0.00 0.00 56.93 56.42 1k83 s PHE 1086Cb -0.13 -4.01 -0.00 0.00 -0.34 0.00 0.00 43.02 38.54 1k83 s PHE 1086CO 0.03 -3.43 -0.13 0.12 -1.46 0.00 0.00 175.22 170.35 1k83 s PHE 1087N 5.48 1.23 0.00 10.12 5.36 -0.86 -1.51 117.98 137.81 1k83 s PHE 1087Ca 0.77 -0.28 0.00 0.00 -0.96 0.00 0.00 56.93 56.46 1k83 s PHE 1087Cb -0.28 -0.83 0.00 0.00 -0.34 0.00 0.00 43.02 41.57 1k83 s PHE 1087CO 0.31 -0.08 0.00 0.41 -1.46 0.00 0.00 175.22 174.41 1k83 n GLY 1088N 3.00 1.47 3.84 13.12 0.00 -0.91 -4.83 105.19 120.88 1k83 n GLY 1088Ca -0.16 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 44.56 1k83 n GLY 1088CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1k83 s PRO 1089N -2.00 3.96 -0.17 1.61 0.04 -1.26 -0.03 135.00 137.15 1k83 s PRO 1089Ca 0.00 0.96 -0.25 0.00 0.04 0.00 0.00 61.00 61.75 1k83 s PRO 1089Cb 0.00 -2.14 0.06 0.00 0.04 0.00 0.00 34.50 32.47 1k83 s PRO 1089CO 0.00 -0.27 0.65 0.99 0.04 0.00 0.00 177.00 178.41 1k83 s THR 1090N -2.62 0.00 -0.22 1.26 2.01 -0.30 -4.28 115.64 111.50 1k83 s THR 1090Ca 0.59 -0.03 -0.29 0.00 0.31 0.00 0.00 61.69 62.27 1k83 s THR 1090Cb -0.10 -0.93 0.00 0.00 0.01 0.00 0.00 72.50 71.49 1k83 s THR 1090CO 0.31 -0.01 1.10 -0.47 -0.69 0.00 0.00 174.62 174.85 1k83 s TYR 1091N -0.23 3.21 0.07 4.92 5.04 -1.26 -1.50 117.35 127.60 1k83 s TYR 1091Ca -0.04 1.34 0.08 0.00 -2.44 0.00 0.00 57.07 56.01 1k83 s TYR 1091Cb -0.03 -3.35 -0.04 0.00 0.35 0.00 0.00 41.96 38.89 1k83 s TYR 1091CO 0.04 -0.79 -0.19 0.71 -1.34 0.00 0.00 175.55 173.97 1k83 s TYR 1092N 3.31 2.51 -0.03 4.97 1.51 -0.37 -4.04 117.35 125.21 1k83 s TYR 1092Ca 0.47 -0.28 0.04 0.00 -1.01 0.00 0.00 57.07 56.28 1k83 s TYR 1092Cb -0.16 -1.40 -0.03 0.00 -0.11 0.00 0.00 41.96 40.26 1k83 s TYR 1092CO 0.09 0.29 -0.12 -0.65 -1.11 0.00 0.00 175.55 174.04 1k83 s GLN 1093N -1.70 2.48 -0.24 -0.62 -0.21 0.11 -1.70 119.66 117.78 1k83 s GLN 1093Ca 0.15 -0.73 -0.16 0.00 0.02 0.00 0.00 55.36 54.65 1k83 s GLN 1093Cb -0.10 -2.40 -0.04 0.00 1.00 0.00 0.00 33.01 31.47 1k83 s GLN 1093CO 0.07 0.61 0.41 0.50 -2.12 0.00 0.00 175.29 174.76 1k83 s ARG 1094N -0.99 4.10 0.31 2.91 3.52 -1.26 -1.16 118.95 126.37 1k83 s ARG 1094Ca 0.13 0.17 -0.02 0.00 -0.13 0.00 0.00 55.73 55.88 1k83 s ARG 1094Cb -0.11 -3.60 -0.04 0.00 -1.56 0.00 0.00 34.95 29.64 1k83 s ARG 1094CO 0.03 -0.19 0.54 -0.51 -0.81 0.00 0.00 175.30 174.35 1k83 s LEU 1095N 1.79 4.05 0.00 -0.88 1.43 -0.84 -1.17 118.68 123.06 1k83 s LEU 1095Ca 0.18 0.56 -0.03 0.00 -1.03 0.00 0.00 54.13 53.81 1k83 s LEU 1095Cb -0.15 -3.40 0.05 0.00 0.03 0.00 0.00 46.19 42.72 1k83 s LEU 1095CO 0.09 -0.23 0.34 -2.11 0.23 0.00 0.00 176.35 174.66 1k83 n ARG 1096N -1.32 -0.08 -2.18 1.70 1.85 -0.61 -4.58 116.66 111.44 1k83 n ARG 1096Ca -0.03 -0.63 -0.02 0.00 -1.00 0.00 0.00 57.85 56.16 1k83 n ARG 1096Cb 0.55 -0.31 0.00 0.00 -1.05 0.00 0.00 32.46 31.65 1k83 n ARG 1096CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1k83 n HIS 1097N -2.25 -2.04 -3.76 2.89 8.25 -1.26 -4.84 115.22 112.21 1k83 n HIS 1097Ca 0.05 0.87 -0.21 0.00 -0.26 0.00 0.00 57.72 58.16 1k83 n HIS 1097Cb 0.16 -2.87 -0.04 0.00 1.12 0.00 0.00 29.99 28.36 1k83 n HIS 1097CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1k83 s MET 1098N -1.29 2.63 0.00 -0.41 -1.94 -1.26 -4.67 119.30 112.37 1k83 s MET 1098Ca 0.06 -1.39 0.00 0.00 -1.71 0.00 0.00 55.69 52.64 1k83 s MET 1098Cb -0.02 -2.42 0.00 0.00 2.01 0.00 0.00 34.83 34.41 1k83 s MET 1098CO 0.42 0.01 0.82 0.28 -0.01 0.00 0.00 175.02 176.54 1k83 n VAL 1099N -1.41 0.00 0.00 -6.03 0.31 -1.26 -0.55 118.33 109.39 1k83 n VAL 1099Ca -0.00 1.29 0.00 0.00 -0.01 0.00 0.00 64.34 65.62 1k83 n VAL 1099Cb 0.60 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.78 1k83 n VAL 1099CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1k83 n ASP 1100N -2.46 0.00 -0.01 4.52 8.00 -1.26 -0.40 116.55 124.93 1k83 n ASP 1100Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1k83 n ASP 1100Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1k83 n ASP 1100CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1k83 n ASP 1101N 0.24 0.47 -0.03 -2.24 8.00 0.29 -4.71 116.55 118.56 1k83 n ASP 1101Ca 0.00 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 54.77 1k83 n ASP 1101Cb 0.00 0.57 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 1k83 n ASP 1101CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1k83 n LYS 1102N -0.56 0.00 0.00 -1.24 5.02 0.46 -4.87 118.16 116.97 1k83 n LYS 1102Ca 0.00 -0.51 0.00 0.00 -2.02 0.00 0.00 58.31 55.78 1k83 n LYS 1102Cb 0.01 -0.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.55 1k83 n LYS 1102CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1k83 n ILE 1103N 0.00 0.10 -1.66 -0.18 5.41 -1.07 -4.91 119.36 117.05 1k83 n ILE 1103Ca 0.00 0.00 -0.50 0.00 1.00 0.00 0.00 62.75 63.25 1k83 n ILE 1103Cb 0.51 -0.44 -0.05 0.00 -0.71 0.00 0.00 39.64 38.95 1k83 n ILE 1103CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1k83 n HIS 1104N 0.20 2.06 -3.85 1.39 8.25 -1.26 -4.98 115.22 117.03 1k83 n HIS 1104Ca 0.00 0.34 -0.29 0.00 -0.26 0.00 0.00 57.72 57.51 1k83 n HIS 1104Cb 0.21 -2.51 -0.16 0.00 1.12 0.00 0.00 29.99 28.65 1k83 n HIS 1104CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1k83 s ALA 1105N 2.20 1.53 -0.91 -1.41 0.00 -1.26 -5.08 121.76 116.83 1k83 s ALA 1105Ca 0.88 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.77 1k83 s ALA 1105Cb -0.83 -1.32 0.26 0.00 0.00 0.00 0.00 23.12 21.23 1k83 s ALA 1105CO 0.49 -1.18 0.99 0.54 0.00 0.00 0.00 175.76 176.60 1k83 n ARG 1106N 4.84 3.18 -3.28 0.00 1.74 -1.26 -5.01 116.66 116.87 1k83 n ARG 1106Ca -0.11 -4.54 -0.44 0.00 -0.77 0.00 0.00 57.85 51.99 1k83 n ARG 1106Cb 0.45 -2.42 -0.06 0.00 -1.02 0.00 0.00 32.46 29.41 1k83 n ARG 1106CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1k83 s ALA 1107N -2.00 3.50 -0.19 7.54 0.00 -1.26 -5.05 121.76 124.30 1k83 s ALA 1107Ca 0.32 -2.07 -0.06 0.00 0.00 0.00 0.00 51.96 50.14 1k83 s ALA 1107Cb 0.01 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 1k83 s ALA 1107CO -0.04 -1.92 0.04 1.03 0.00 0.00 0.00 175.76 174.87 1k83 s ARG 1108N 2.05 3.80 -0.14 0.00 0.52 -1.26 -5.01 118.95 118.90 1k83 s ARG 1108Ca 0.08 -0.43 -0.13 0.00 -0.52 0.00 0.00 55.73 54.73 1k83 s ARG 1108Cb -0.24 -3.16 -0.06 0.00 0.52 0.00 0.00 34.95 32.02 1k83 s ARG 1108CO 0.08 0.13 -0.27 0.41 0.02 0.00 0.00 175.30 175.67 1k83 n GLY 1109N 3.93 -0.40 0.00 -3.53 0.00 -1.26 -5.30 105.19 98.63 1k83 n GLY 1109Ca -0.17 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 45.74 1k83 n GLY 1109CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1k83 n PRO 1110N -4.15 0.09 0.00 1.61 -0.04 -1.26 -5.26 135.00 125.98 1k83 n PRO 1110Ca -0.19 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1k83 n PRO 1110Cb 0.50 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1k83 n PRO 1110CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1k83 n GLY 1127N 0.46 0.00 2.27 0.55 0.00 -1.26 -5.25 105.19 101.96 1k83 n GLY 1127Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1k83 n GLY 1127CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1k83 n LEU 1128N 0.00 0.00 -4.97 0.99 7.94 -1.26 -5.03 117.00 114.67 1k83 n LEU 1128Ca 0.00 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.68 1k83 n LEU 1128Cb 0.00 -0.16 0.05 0.00 0.53 0.00 0.00 43.42 43.83 1k83 n LEU 1128CO 0.00 0.00 0.41 0.00 -1.11 0.00 0.00 177.39 176.69 1k83 s ARG 1129N -0.13 2.43 -0.60 1.96 1.70 -1.26 -5.07 118.95 117.98 1k83 s ARG 1129Ca 0.00 -0.75 0.04 0.00 -0.47 0.00 0.00 55.73 54.56 1k83 s ARG 1129Cb 0.00 -2.44 0.15 0.00 -0.57 0.00 0.00 34.95 32.09 1k83 s ARG 1129CO 0.00 -0.83 0.37 0.12 -1.08 0.00 0.00 175.30 173.87 1k83 s PHE 1130N -2.85 3.28 0.69 5.89 5.36 -1.26 -5.01 117.98 124.08 1k83 s PHE 1130Ca 0.58 -3.21 0.04 0.00 -0.96 0.00 0.00 56.93 53.38 1k83 s PHE 1130Cb -0.10 -2.71 0.13 0.00 -0.34 0.00 0.00 43.02 40.00 1k83 s PHE 1130CO 0.40 -0.66 0.95 0.20 -1.46 0.00 0.00 175.22 174.65 1k83 s GLY 1131N -0.79 1.72 0.30 13.12 0.00 -1.26 -4.84 107.32 115.57 1k83 s GLY 1131Ca 0.21 -2.03 0.02 0.00 0.00 0.00 0.00 44.72 42.92 1k83 s GLY 1131CO -0.08 -1.45 1.59 0.83 0.00 0.00 0.00 173.10 173.99 1k83 h GLU 1132N -0.32 0.04 -0.58 2.90 5.08 -1.99 0.35 114.58 120.07 1k83 h GLU 1132Ca -0.32 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.99 1k83 h GLU 1132Cb 1.27 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 1k83 h GLU 1132CO 0.38 0.03 0.15 0.52 -1.00 0.00 0.00 179.01 179.09 1k83 h MET 1133N 0.04 0.88 -0.40 2.33 2.86 -1.99 -0.68 114.93 117.97 1k83 h MET 1133Ca 0.59 -0.18 -0.10 0.00 -2.06 0.00 0.00 59.70 57.96 1k83 h MET 1133Cb 1.24 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 1k83 h MET 1133CO -0.86 0.78 -0.13 0.93 1.06 0.00 0.00 176.91 178.69 1k83 h GLU 1134N 0.85 0.80 -0.82 1.72 3.07 -0.71 -2.50 114.58 116.98 1k83 h GLU 1134Ca 0.19 -0.32 -0.01 0.00 -0.50 0.00 0.00 59.36 58.72 1k83 h GLU 1134Cb 0.28 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.12 1k83 h GLU 1134CO -0.00 0.94 0.47 -0.09 -1.40 0.00 0.00 179.01 178.93 1k83 h ARG 1135N 0.61 1.12 -0.92 2.33 2.43 -0.76 -1.95 114.38 117.23 1k83 h ARG 1135Ca 0.10 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1k83 h ARG 1135Cb 0.67 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 1k83 h ARG 1135CO 0.05 0.80 0.52 -0.44 -1.51 0.00 0.00 179.97 179.38 1k83 h ASP 1136N 1.13 1.14 -0.61 -3.80 3.32 -0.89 -0.63 116.42 116.08 1k83 h ASP 1136Ca 0.29 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 1k83 h ASP 1136Cb -0.02 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.22 1k83 h ASP 1136CO -0.05 0.90 0.22 0.00 -1.72 0.00 0.00 179.24 178.58 1k83 h MET 1138N 0.86 0.16 -0.12 0.00 2.86 -0.95 -1.43 114.93 116.32 1k83 h MET 1138Ca 0.20 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.74 1k83 h MET 1138Cb 0.25 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 1k83 h MET 1138CO -0.01 0.47 -0.07 0.82 1.06 0.00 0.00 176.91 179.18 1k83 h ILE 1139N 0.14 1.33 -0.89 -1.22 2.04 -0.74 -1.53 117.51 116.65 1k83 h ILE 1139Ca 0.02 -1.13 0.16 0.00 1.00 0.00 0.00 64.86 64.91 1k83 h ILE 1139Cb 0.64 1.83 -0.07 0.00 -0.74 0.00 0.00 36.82 38.48 1k83 h ILE 1139CO 0.05 0.32 0.57 0.00 0.00 0.00 0.00 178.15 179.10 1k83 h ALA 1140N 0.63 1.95 0.00 1.87 0.00 -0.68 0.78 119.26 123.81 1k83 h ALA 1140Ca 0.02 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1k83 h ALA 1140Cb 0.55 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1k83 h ALA 1140CO 0.02 -0.21 0.00 0.72 0.00 0.00 0.00 179.25 179.78 1k83 n HIS 1141N -4.55 0.00 -1.34 0.00 8.25 -0.57 -4.89 115.22 112.11 1k83 n HIS 1141Ca 0.18 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.52 1k83 n HIS 1141Cb 0.54 -0.46 -0.05 0.00 1.12 0.00 0.00 29.99 31.14 1k83 n HIS 1141CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1k83 n GLY 1142N 0.81 1.29 3.43 -1.41 0.00 0.27 -4.91 105.19 104.66 1k83 n GLY 1142Ca 0.06 -0.48 -0.44 0.00 0.00 0.00 0.00 46.02 45.17 1k83 n GLY 1142CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k83 n ALA 1143N 1.22 3.97 -0.02 4.61 0.00 -0.63 -4.83 120.51 124.82 1k83 n ALA 1143Ca -0.12 -4.17 -0.16 0.00 0.00 0.00 0.00 53.44 48.99 1k83 n ALA 1143Cb 0.39 -3.16 -0.09 0.00 0.00 0.00 0.00 19.45 16.59 1k83 n ALA 1143CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k83 h ALA 1144N 7.08 0.20 0.00 0.00 0.00 -1.91 -2.92 119.26 121.71 1k83 h ALA 1144Ca 0.35 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1k83 h ALA 1144Cb 0.85 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1k83 h ALA 1144CO 1.33 0.43 -0.24 0.66 0.00 0.00 0.00 179.25 181.44 1k83 h SER 1145N 0.17 0.00 -0.30 0.00 4.64 -1.99 0.94 113.55 117.01 1k83 h SER 1145Ca -0.04 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.12 1k83 h SER 1145Cb 1.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1k83 h SER 1145CO 0.12 0.24 -0.42 0.15 -0.87 0.00 0.00 176.83 176.04 1k83 h PHE 1146N 0.00 1.01 -0.69 4.77 3.57 -1.97 -0.74 116.94 122.89 1k83 h PHE 1146Ca -0.00 -0.33 -0.02 0.00 3.53 0.00 0.00 57.97 61.14 1k83 h PHE 1146Cb 0.49 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 1k83 h PHE 1146CO 0.00 1.14 0.34 -0.07 -2.23 0.00 0.00 178.31 177.48 1k83 h LEU 1147N 0.59 0.87 -0.04 0.59 3.38 -1.05 -0.48 115.31 119.18 1k83 h LEU 1147Ca 0.03 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1k83 h LEU 1147Cb 1.02 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1k83 h LEU 1147CO 0.10 0.73 -0.02 0.50 0.09 0.00 0.00 178.44 179.84 1k83 h LYS 1148N 0.97 0.08 -0.90 1.13 3.64 -0.67 -2.45 116.57 118.36 1k83 h LYS 1148Ca 0.24 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.65 1k83 h LYS 1148Cb 0.09 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.84 1k83 h LYS 1148CO -0.03 0.49 0.56 1.49 -2.27 0.00 0.00 179.45 179.69 1k83 h GLU 1149N -0.33 0.99 0.09 1.90 4.81 -0.84 -2.60 114.58 118.58 1k83 h GLU 1149Ca 0.01 -0.06 -0.28 0.00 -0.13 0.00 0.00 59.36 58.90 1k83 h GLU 1149Cb 0.47 -0.22 0.03 0.00 0.63 0.00 0.00 28.75 29.65 1k83 h GLU 1149CO 0.01 0.65 -1.13 -0.09 -0.73 0.00 0.00 179.01 177.72 1k83 h ARG 1150N 1.02 0.61 0.00 1.92 1.12 -1.11 -3.36 114.38 114.58 1k83 h ARG 1150Ca 0.40 -0.78 0.00 0.00 -1.11 0.00 0.00 59.98 58.49 1k83 h ARG 1150Cb 0.20 0.25 0.00 0.00 -0.01 0.00 0.00 29.97 30.40 1k83 h ARG 1150CO -0.18 1.34 -0.55 -0.07 -3.11 0.00 0.00 179.97 177.40 1k83 h LEU 1151N 0.24 0.00-10.11 3.80 3.38 -1.45 -3.47 115.31 107.71 1k83 h LEU 1151Ca -0.17 -0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.29 1k83 h LEU 1151Cb 1.81 0.00 0.09 0.00 0.09 0.00 0.00 40.66 42.65 1k83 h LEU 1151CO 0.22 0.00 0.44 -0.32 0.09 0.00 0.00 178.44 178.87 1k83 s MET 1152N -3.29 3.10 0.00 1.13 1.75 -0.98 -5.04 119.30 115.96 1k83 s MET 1152Ca 0.03 1.67 0.00 0.00 -1.25 0.00 0.00 55.69 56.13 1k83 s MET 1152Cb 0.08 -1.96 0.00 0.00 2.84 0.00 0.00 34.83 35.78 1k83 s MET 1152CO 0.74 -1.06 0.00 -1.91 -0.65 0.00 0.00 175.02 172.13 1k83 n GLU 1153N -1.60 3.37 -0.03 4.11 2.13 -1.26 -5.02 120.64 122.34 1k83 n GLU 1153Ca 0.12 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.76 1k83 n GLU 1153Cb 0.51 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 32.08 1k83 n GLU 1153CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1k83 n ALA 1154N -3.00 1.12 -0.46 4.31 0.00 -1.26 -5.00 120.51 116.23 1k83 n ALA 1154Ca 0.00 -0.75 -0.18 0.00 0.00 0.00 0.00 53.44 52.51 1k83 n ALA 1154Cb 0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 1k83 n ALA 1154CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1k83 n SER 1155N -3.33 0.24 -4.63 0.00 3.41 -1.26 -4.73 113.62 103.32 1k83 n SER 1155Ca -0.32 0.32 -0.48 0.00 -0.26 0.00 0.00 58.87 58.14 1k83 n SER 1155Cb 1.04 -0.24 -0.04 0.00 -0.26 0.00 0.00 64.21 64.71 1k83 n SER 1155CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1k83 n ASP 1156N 0.90 2.19 -4.57 4.04 8.00 -1.26 -4.46 116.55 121.39 1k83 n ASP 1156Ca 0.08 1.12 -0.39 0.00 0.71 0.00 0.00 54.79 56.31 1k83 n ASP 1156Cb -0.01 -1.32 -0.03 0.00 -0.02 0.00 0.00 41.12 39.75 1k83 n ASP 1156CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k83 s ALA 1157N 0.23 2.28 0.25 2.24 0.00 -1.26 -1.67 121.76 123.84 1k83 s ALA 1157Ca 0.75 -0.24 -0.14 0.00 0.00 0.00 0.00 51.96 52.34 1k83 s ALA 1157Cb -0.78 -4.23 -0.08 0.00 0.00 0.00 0.00 23.12 18.04 1k83 s ALA 1157CO 0.47 -3.62 0.65 0.12 0.00 0.00 0.00 175.76 173.38 1k83 s PHE 1158N 9.02 3.46 -0.32 0.00 5.36 -0.34 -4.83 117.98 130.33 1k83 s PHE 1158Ca 0.77 1.11 -0.07 0.00 -0.96 0.00 0.00 56.93 57.79 1k83 s PHE 1158Cb -0.17 -2.44 0.02 0.00 -0.34 0.00 0.00 43.02 40.10 1k83 s PHE 1158CO 0.26 0.23 0.10 0.50 -1.46 0.00 0.00 175.22 174.84 1k83 s ARG 1159N -2.63 2.85 0.35 10.12 3.00 -1.26 -1.31 118.95 130.07 1k83 s ARG 1159Ca 0.48 -1.03 0.08 0.00 -1.00 0.00 0.00 55.73 54.27 1k83 s ARG 1159Cb -0.12 -3.43 -0.05 0.00 0.00 0.00 0.00 34.95 31.36 1k83 s ARG 1159CO 0.19 -0.56 0.13 0.08 0.00 0.00 0.00 175.30 175.14 1k83 s VAL 1160N 1.45 2.83 0.14 7.11 1.01 -0.96 -4.99 120.40 126.99 1k83 s VAL 1160Ca 0.00 -1.73 0.10 0.00 0.00 0.00 0.00 61.98 60.36 1k83 s VAL 1160Cb -0.18 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 1k83 s VAL 1160CO 0.03 -0.15 -0.22 -1.00 0.00 0.00 0.00 175.10 173.76 1k83 s HIS 1161N -2.47 2.42 0.01 5.22 3.76 -1.26 -2.52 115.29 120.44 1k83 s HIS 1161Ca 0.38 -0.32 -0.04 0.00 -0.15 0.00 0.00 55.06 54.93 1k83 s HIS 1161Cb -0.01 -1.26 -0.01 0.00 1.11 0.00 0.00 32.58 32.41 1k83 s HIS 1161CO 0.22 0.41 0.08 0.42 -0.85 0.00 0.00 174.74 175.01 1k83 s ILE 1162N -1.28 0.09 0.42 0.60 1.01 -0.32 -4.34 121.20 117.37 1k83 s ILE 1162Ca 0.18 -0.73 -0.22 0.00 0.00 0.00 0.00 60.65 59.88 1k83 s ILE 1162Cb -0.10 -0.36 -0.10 0.00 0.01 0.00 0.00 42.46 41.91 1k83 s ILE 1162CO 0.09 -0.40 0.96 0.00 0.00 0.00 0.00 174.94 175.59 1k83 h GLY 1164N 2.10 0.00 0.00 0.00 0.00 -1.80 -3.36 103.07 100.01 1k83 h GLY 1164Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1k83 h GLY 1164CO 0.61 0.00 -0.04 -2.22 0.00 0.00 0.00 176.54 174.89 1k83 h ILE 1165N 0.00 0.00 -2.92 2.60 2.04 -1.93 -3.44 117.51 113.86 1k83 h ILE 1165Ca 0.00 -0.37 -0.63 0.00 1.00 0.00 0.00 64.86 64.86 1k83 h ILE 1165Cb 0.94 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.95 1k83 h ILE 1165CO 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 178.15 177.83 1k83 n GLY 1167N 2.09 4.06 3.86 0.00 0.00 -1.26 -3.53 105.19 110.42 1k83 n GLY 1167Ca -0.16 -1.65 -0.21 0.00 0.00 0.00 0.00 46.02 44.00 1k83 n GLY 1167CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k83 s LEU 1168N -1.73 3.77 -0.42 0.99 1.43 -1.26 0.21 118.68 121.66 1k83 s LEU 1168Ca 0.56 -0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 53.30 1k83 s LEU 1168Cb 0.35 -2.36 0.05 0.00 0.03 0.00 0.00 46.19 44.26 1k83 s LEU 1168CO -0.16 -0.21 2.79 0.23 0.23 0.00 0.00 176.35 179.23 1k83 n MET 1169N -1.32 2.36 -0.92 1.70 2.81 -1.26 -2.87 117.12 117.61 1k83 n MET 1169Ca -0.05 -2.24 -0.09 0.00 -1.81 0.00 0.00 57.70 53.51 1k83 n MET 1169Cb 0.59 -2.11 0.21 0.00 -0.71 0.00 0.00 33.22 31.20 1k83 n MET 1169CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1k83 n THR 1170N 0.94 2.77 -3.40 2.03 -2.24 -1.26 -4.97 114.28 108.15 1k83 n THR 1170Ca 0.48 -2.27 -0.37 0.00 -2.27 0.00 0.00 64.05 59.61 1k83 n THR 1170Cb 0.57 -0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 68.38 1k83 n THR 1170CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1k83 s VAL 1171N -3.19 5.22 -0.37 2.28 1.01 -1.26 -4.53 120.40 119.56 1k83 s VAL 1171Ca 0.49 0.81 -0.15 0.00 0.00 0.00 0.00 61.98 63.14 1k83 s VAL 1171Cb 0.43 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1k83 s VAL 1171CO 0.06 0.36 0.31 -0.63 0.00 0.00 0.00 175.10 175.20 1k83 s ILE 1172N 0.51 5.23 -0.26 2.22 1.01 0.12 -4.86 121.20 125.16 1k83 s ILE 1172Ca 0.23 -0.32 -0.08 0.00 0.00 0.00 0.00 60.65 60.48 1k83 s ILE 1172Cb -0.14 -3.85 -0.02 0.00 0.01 0.00 0.00 42.46 38.45 1k83 s ILE 1172CO 0.08 -0.18 0.08 0.00 0.00 0.00 0.00 174.94 174.92 1k83 s ALA 1173N 1.83 3.17 -0.90 9.38 0.00 -1.26 -1.40 121.76 132.58 1k83 s ALA 1173Ca 0.08 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1k83 s ALA 1173Cb -0.18 -2.12 0.29 0.00 0.00 0.00 0.00 23.12 21.11 1k83 s ALA 1173CO 0.11 -0.57 1.23 1.63 0.00 0.00 0.00 175.76 178.15 1k83 n LYS 1174N 4.93 3.81 -0.29 0.00 5.02 0.34 -4.92 118.16 127.05 1k83 n LYS 1174Ca -0.16 -4.62 0.06 0.00 -2.02 0.00 0.00 58.31 51.58 1k83 n LYS 1174Cb 0.51 -2.41 0.17 0.00 -0.02 0.00 0.00 35.03 33.28 1k83 n LYS 1174CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1k83 h LEU 1175N 4.82 -0.54 -1.26 -0.35 3.38 -1.94 0.49 115.31 119.92 1k83 h LEU 1175Ca 0.22 0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.41 1k83 h LEU 1175Cb 0.61 0.44 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 1k83 h LEU 1175CO 1.13 -0.25 0.35 0.78 0.09 0.00 0.00 178.44 180.54 1k83 h ASN 1176N 0.04 0.76 -0.12 -0.43 2.35 -1.96 -1.98 115.58 114.24 1k83 h ASN 1176Ca 0.45 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 56.15 1k83 h ASN 1176Cb 0.79 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.97 1k83 h ASN 1176CO -0.80 0.61 0.00 1.41 -1.65 0.00 0.00 177.43 177.00 1k83 n HIS 1177N -4.39 0.14 -2.30 1.19 8.25 0.49 -4.94 115.22 113.68 1k83 n HIS 1177Ca 0.06 -0.07 -0.20 0.00 -0.26 0.00 0.00 57.72 57.25 1k83 n HIS 1177Cb 0.09 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.18 1k83 n HIS 1177CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1k83 n ASN 1178N 0.84 -5.57 -4.45 0.41 3.02 0.14 -4.96 115.26 104.69 1k83 n ASN 1178Ca 0.17 0.08 -0.36 0.00 -0.03 0.00 0.00 54.58 54.43 1k83 n ASN 1178Cb 0.48 -4.69 -0.12 0.00 -0.61 0.00 0.00 39.78 34.84 1k83 n ASN 1178CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1k83 s GLN 1179N -4.87 3.65 -0.13 3.52 -0.21 -0.47 -4.96 119.66 116.19 1k83 s GLN 1179Ca 0.00 -0.48 0.02 0.00 0.02 0.00 0.00 55.36 54.92 1k83 s GLN 1179Cb 0.00 -3.27 0.01 0.00 1.00 0.00 0.00 33.01 30.75 1k83 s GLN 1179CO 0.00 -0.14 -0.20 -0.06 -2.12 0.00 0.00 175.29 172.78 1k83 s PHE 1180N 1.46 2.44 -0.00 0.91 2.99 -1.26 0.13 117.98 124.64 1k83 s PHE 1180Ca 0.05 -1.21 0.02 0.00 0.00 0.00 0.00 56.93 55.79 1k83 s PHE 1180Cb -0.15 -1.69 -0.01 0.00 0.00 0.00 0.00 43.02 41.18 1k83 s PHE 1180CO 0.03 -0.57 -0.07 -1.21 -0.00 0.00 0.00 175.22 173.39 1k83 s GLU 1181N 0.89 0.60 -0.46 0.44 2.02 -0.49 -3.97 118.70 117.73 1k83 s GLU 1181Ca -0.06 -0.29 0.04 0.00 0.02 0.00 0.00 54.97 54.67 1k83 s GLU 1181Cb -0.15 -0.57 0.17 0.00 0.10 0.00 0.00 34.13 33.68 1k83 s GLU 1181CO -0.02 0.15 0.36 0.00 0.02 0.00 0.00 175.26 175.78 1k83 n LYS 1183N 2.71 -0.80 0.00 0.00 4.76 -1.26 -1.98 118.16 121.59 1k83 n LYS 1183Ca 0.28 -0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1k83 n LYS 1183Cb 0.45 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 1k83 n LYS 1183CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1k83 n GLY 1184N 2.12 3.04 0.00 0.72 0.00 -1.26 -4.54 105.19 105.27 1k83 n GLY 1184Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1k83 n GLY 1184CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k83 n ASP 1186N -0.83 -2.33 -4.38 0.00 8.00 -1.09 -5.01 116.55 110.91 1k83 n ASP 1186Ca 0.00 -0.45 -0.32 0.00 0.71 0.00 0.00 54.79 54.72 1k83 n ASP 1186Cb 0.00 -3.91 -0.14 0.00 -0.02 0.00 0.00 41.12 37.04 1k83 n ASP 1186CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1k83 s ASN 1187N -3.93 3.76 0.00 -2.24 0.01 -1.22 -4.91 114.94 106.41 1k83 s ASN 1187Ca 0.04 -0.33 0.00 0.00 -0.71 0.00 0.00 52.86 51.86 1k83 s ASN 1187Cb -0.02 -1.10 0.00 0.00 0.41 0.00 0.00 41.25 40.54 1k83 s ASN 1187CO 0.54 0.26 0.00 0.29 -1.51 0.00 0.00 177.10 176.68 1k83 n LYS 1188N 2.89 3.61 -0.11 -0.60 5.02 -1.25 -1.82 118.16 125.90 1k83 n LYS 1188Ca -0.18 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 55.96 1k83 n LYS 1188Cb 0.52 -0.37 -0.10 0.00 -0.02 0.00 0.00 35.03 35.06 1k83 n LYS 1188CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1k83 n ILE 1189N -0.10 1.23 -2.70 -0.18 5.41 -1.26 -4.65 119.36 117.12 1k83 n ILE 1189Ca 0.00 -0.46 -0.43 0.00 1.00 0.00 0.00 62.75 62.86 1k83 n ILE 1189Cb 0.00 -1.30 -0.01 0.00 -0.71 0.00 0.00 39.64 37.62 1k83 n ILE 1189CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1k83 s ASP 1190N -6.16 6.84 0.04 4.38 2.15 -1.26 -4.94 116.67 117.73 1k83 s ASP 1190Ca -0.29 -2.42 -0.10 0.00 0.43 0.00 0.00 52.55 50.17 1k83 s ASP 1190Cb 0.08 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1k83 s ASP 1190CO 0.49 -1.10 0.20 -0.63 -0.17 0.00 0.00 175.17 173.96 1k83 s ILE 1191N 3.54 0.11 0.21 4.11 1.01 -1.26 -2.15 121.20 126.77 1k83 s ILE 1191Ca 0.48 -0.90 -0.00 0.00 0.00 0.00 0.00 60.65 60.23 1k83 s ILE 1191Cb 0.01 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 1k83 s ILE 1191CO 0.02 -0.50 0.11 -0.31 0.00 0.00 0.00 174.94 174.26 1k83 s TYR 1192N -2.67 1.24 -0.03 3.97 1.51 -0.88 -4.95 117.35 115.53 1k83 s TYR 1192Ca -0.04 -1.30 0.03 0.00 -1.01 0.00 0.00 57.07 54.75 1k83 s TYR 1192Cb -0.01 -0.65 0.00 0.00 -0.11 0.00 0.00 41.96 41.19 1k83 s TYR 1192CO -0.04 -0.52 -0.12 -1.14 -1.11 0.00 0.00 175.55 172.61 1k83 s GLN 1193N -4.10 1.29 0.05 -0.62 0.74 -1.26 -1.18 119.66 114.57 1k83 s GLN 1193Ca 0.37 -0.42 0.03 0.00 0.05 0.00 0.00 55.36 55.39 1k83 s GLN 1193Cb 0.07 -1.16 -0.02 0.00 1.10 0.00 0.00 33.01 33.00 1k83 s GLN 1193CO 0.11 0.15 -0.09 0.96 -0.55 0.00 0.00 175.29 175.88 1k83 s ILE 1194N 0.17 0.62 -0.22 -2.34 -4.36 -1.05 -5.02 121.20 109.01 1k83 s ILE 1194Ca -0.04 -1.12 -0.07 0.00 -0.26 0.00 0.00 60.65 59.16 1k83 s ILE 1194Cb -0.10 -0.69 -0.03 0.00 1.25 0.00 0.00 42.46 42.89 1k83 s ILE 1194CO 0.01 -0.37 0.05 -1.00 0.24 0.00 0.00 174.94 173.87 1k83 s HIS 1195N -1.39 3.10 0.01 1.37 3.76 -1.26 -2.26 115.29 118.62 1k83 s HIS 1195Ca -0.09 -0.32 -0.01 0.00 -0.15 0.00 0.00 55.06 54.49 1k83 s HIS 1195Cb -0.10 -2.16 -0.01 0.00 1.11 0.00 0.00 32.58 31.42 1k83 s HIS 1195CO 0.01 -0.21 0.01 0.96 -0.85 0.00 0.00 174.74 174.66 1k83 s ILE 1196N 1.16 0.09 0.23 0.60 -4.36 -0.43 -4.90 121.20 113.58 1k83 s ILE 1196Ca 0.04 -0.72 -0.31 0.00 -0.26 0.00 0.00 60.65 59.40 1k83 s ILE 1196Cb -0.14 -0.26 -0.14 0.00 1.25 0.00 0.00 42.46 43.17 1k83 s ILE 1196CO 0.03 -0.39 1.33 -0.81 0.24 0.00 0.00 174.94 175.33 1k83 n PRO 1197N 1.82 1.81 -0.28 0.37 -0.04 -1.26 -1.20 135.00 136.21 1k83 n PRO 1197Ca -0.22 0.64 0.21 0.00 -0.04 0.00 0.00 63.50 64.09 1k83 n PRO 1197Cb 0.56 -2.25 0.51 0.00 -0.04 0.00 0.00 33.50 32.28 1k83 n PRO 1197CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 1k83 h TYR 1198N 3.89 0.58 -0.02 0.54 3.20 -1.54 1.00 116.97 124.62 1k83 h TYR 1198Ca -0.44 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.45 1k83 h TYR 1198Cb 1.29 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.39 1k83 h TYR 1198CO 0.55 0.11 0.12 0.00 -1.64 0.00 0.00 178.16 177.30 1k83 h ALA 1199N 1.60 1.23 0.00 1.82 0.00 -1.87 -1.59 119.26 120.45 1k83 h ALA 1199Ca 0.53 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.43 1k83 h ALA 1199Cb 1.33 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1k83 h ALA 1199CO -0.22 -0.13 -0.04 0.00 0.00 0.00 0.00 179.25 178.86 1k83 h ALA 1200N 1.79 0.01 -0.97 0.00 0.00 0.72 -2.46 119.26 118.34 1k83 h ALA 1200Ca 0.01 -0.20 0.31 0.00 0.00 0.00 0.00 54.91 55.03 1k83 h ALA 1200Cb 0.24 0.03 -0.17 0.00 0.00 0.00 0.00 17.79 17.89 1k83 h ALA 1200CO -0.00 0.03 0.26 -0.22 0.00 0.00 0.00 179.25 179.32 1k83 h LYS 1201N -1.00 0.06 0.51 0.00 3.64 -1.20 -0.11 116.57 118.47 1k83 h LYS 1201Ca -0.01 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1k83 h LYS 1201Cb 0.36 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1k83 h LYS 1201CO -0.00 0.04 -0.25 -0.07 -2.27 0.00 0.00 179.45 176.90 1k83 h LEU 1202N 0.06 -0.58 -1.49 5.20 3.38 -1.41 -1.19 115.31 119.28 1k83 h LEU 1202Ca 0.67 0.02 0.37 0.00 0.09 0.00 0.00 57.88 59.03 1k83 h LEU 1202Cb 1.54 0.15 -0.10 0.00 0.09 0.00 0.00 40.66 42.34 1k83 h LEU 1202CO -0.81 -0.32 0.81 0.25 0.09 0.00 0.00 178.44 178.47 1k83 h LEU 1203N -0.89 0.28 0.05 1.67 5.85 -0.78 0.53 115.31 122.01 1k83 h LEU 1203Ca -0.07 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1k83 h LEU 1203Cb 0.53 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1k83 h LEU 1203CO 0.12 -0.05 -0.02 -0.26 -0.34 0.00 0.00 178.44 177.88 1k83 h PHE 1204N 0.19 -0.06 -0.66 1.25 0.05 -1.04 -2.31 116.94 114.36 1k83 h PHE 1204Ca 0.71 -0.00 0.06 0.00 3.82 0.00 0.00 57.97 62.56 1k83 h PHE 1204Cb 2.20 0.02 -0.04 0.00 2.00 0.00 0.00 35.95 40.13 1k83 h PHE 1204CO -0.00 0.58 0.43 1.96 -0.18 0.00 0.00 178.31 181.10 1k83 h GLN 1205N -0.83 0.66 -0.78 1.51 4.20 0.29 0.21 115.11 120.38 1k83 h GLN 1205Ca -0.01 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 1k83 h GLN 1205Cb 0.66 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 1k83 h GLN 1205CO 0.01 0.44 0.32 0.93 -0.67 0.00 0.00 178.83 179.86 1k83 h GLU 1206N 0.68 1.15 -0.68 1.46 5.08 -0.06 -0.42 114.58 121.79 1k83 h GLU 1206Ca 0.28 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1k83 h GLU 1206Cb 0.24 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1k83 h GLU 1206CO -0.09 0.92 0.29 -0.07 -1.00 0.00 0.00 179.01 179.06 1k83 h LEU 1207N 1.12 0.90 -1.26 1.33 3.38 -0.06 -1.24 115.31 119.48 1k83 h LEU 1207Ca 0.26 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 1k83 h LEU 1207Cb 0.20 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1k83 h LEU 1207CO -0.02 0.79 -0.21 0.24 0.09 0.00 0.00 178.44 179.33 1k83 h MET 1208N 0.97 0.25 -0.02 1.13 2.86 -0.29 0.75 114.93 120.58 1k83 h MET 1208Ca 0.23 -0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 57.71 1k83 h MET 1208Cb 0.16 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1k83 h MET 1208CO -0.02 0.45 -0.42 0.00 1.06 0.00 0.00 176.91 177.98 1k83 h ALA 1209N 1.56 1.27 -0.34 6.32 0.00 0.04 -2.26 119.26 125.85 1k83 h ALA 1209Ca 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1k83 h ALA 1209Cb 0.51 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1k83 h ALA 1209CO 0.03 0.54 0.00 -1.33 0.00 0.00 0.00 179.25 178.49 1k83 n MET 1210N -4.04 3.32 -1.59 0.00 2.00 -0.67 -4.89 117.12 111.25 1k83 n MET 1210Ca -0.02 -1.88 -0.13 0.00 0.00 0.00 0.00 57.70 55.68 1k83 n MET 1210Cb 0.45 -1.95 -0.04 0.00 0.00 0.00 0.00 33.22 31.68 1k83 n MET 1210CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1k83 n ASN 1211N 0.38 -4.41 -4.57 7.83 2.85 -0.85 -5.01 115.26 111.47 1k83 n ASN 1211Ca 0.17 0.23 -0.34 0.00 -0.11 0.00 0.00 54.58 54.53 1k83 n ASN 1211Cb 0.81 -3.19 -0.11 0.00 1.24 0.00 0.00 39.78 38.53 1k83 n ASN 1211CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1k83 s ILE 1212N -2.52 3.72 -0.41 -1.44 1.01 0.17 -4.99 121.20 116.74 1k83 s ILE 1212Ca 0.00 -0.46 -0.12 0.00 0.00 0.00 0.00 60.65 60.06 1k83 s ILE 1212Cb 0.00 -2.54 0.05 0.00 0.01 0.00 0.00 42.46 39.98 1k83 s ILE 1212CO 0.00 0.59 0.27 0.42 0.00 0.00 0.00 174.94 176.22 1k83 s THR 1213N -0.65 4.72 -1.17 2.92 -4.23 -1.26 -2.88 115.64 113.10 1k83 s THR 1213Ca 0.10 -1.02 -0.11 0.00 -1.18 0.00 0.00 61.69 59.48 1k83 s THR 1213Cb -0.11 -3.74 0.23 0.00 1.34 0.00 0.00 72.50 70.21 1k83 s THR 1213CO 0.02 -0.39 1.32 -0.81 -0.54 0.00 0.00 174.62 174.22 1k83 n PRO 1214N 5.04 3.51 -2.00 3.99 -0.04 -1.26 -5.02 135.00 139.22 1k83 n PRO 1214Ca -0.11 -4.13 -0.42 0.00 -0.04 0.00 0.00 63.50 58.79 1k83 n PRO 1214Cb 0.45 -2.80 -0.03 0.00 -0.04 0.00 0.00 33.50 31.08 1k83 n PRO 1214CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1k83 s ARG 1215N 0.04 4.22 -0.23 0.54 1.81 -1.26 -4.78 118.95 119.29 1k83 s ARG 1215Ca 0.37 2.24 -0.09 0.00 -1.72 0.00 0.00 55.73 56.53 1k83 s ARG 1215Cb -0.05 -3.56 -0.04 0.00 -0.45 0.00 0.00 34.95 30.85 1k83 s ARG 1215CO -0.03 -0.68 0.11 -0.51 -0.68 0.00 0.00 175.30 173.51 1k83 s LEU 1216N 2.45 3.79 -0.02 2.53 1.43 0.13 -4.85 118.68 124.14 1k83 s LEU 1216Ca 0.71 -0.03 0.07 0.00 -1.03 0.00 0.00 54.13 53.85 1k83 s LEU 1216Cb -0.38 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 43.82 1k83 s LEU 1216CO 0.31 0.04 -0.23 -0.31 0.23 0.00 0.00 176.35 176.39 1k83 s TYR 1217N 1.19 2.06 -0.89 0.29 1.51 -1.26 -4.29 117.35 115.95 1k83 s TYR 1217Ca 0.06 -0.44 0.26 0.00 -1.01 0.00 0.00 57.07 55.94 1k83 s TYR 1217Cb -0.14 -1.33 0.72 0.00 -0.11 0.00 0.00 41.96 41.09 1k83 s TYR 1217CO 0.04 -0.07 1.59 0.25 -1.11 0.00 0.00 175.55 176.25 1k83 n THR 1218N 2.63 0.14 -4.28 -0.71 -2.24 -1.26 -4.82 114.28 103.74 1k83 n THR 1218Ca -0.16 -0.09 -0.35 0.00 -2.27 0.00 0.00 64.05 61.18 1k83 n THR 1218Cb 0.52 -0.15 -0.09 0.00 -2.10 0.00 0.00 70.33 68.52 1k83 n THR 1218CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1k83 s ASP 1219N -3.44 5.43 -0.16 3.42 1.01 -1.26 -5.01 116.67 116.66 1k83 s ASP 1219Ca 0.11 0.19 -0.03 0.00 0.71 0.00 0.00 52.55 53.52 1k83 s ASP 1219Cb 0.16 -1.57 -0.23 0.00 1.01 0.00 0.00 42.92 42.29 1k83 s ASP 1219CO 0.64 0.37 0.20 -1.14 0.21 0.00 0.00 175.17 175.45 1k83 n ARG 1220N 2.03 0.72 -2.39 8.23 0.63 -1.26 -4.75 116.66 119.87 1k83 n ARG 1220Ca -0.18 0.23 -0.40 0.00 -0.92 0.00 0.00 57.85 56.57 1k83 n ARG 1220Cb 0.54 -1.65 -0.03 0.00 0.45 0.00 0.00 32.46 31.76 1k83 n ARG 1220CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1k83 s SER 1221N -6.84 5.89 0.14 6.15 1.04 -1.26 -4.99 113.70 113.84 1k83 s SER 1221Ca -0.25 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1k83 s SER 1221Cb 0.07 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.64 1k83 s SER 1221CO 0.72 -2.00 0.00 0.54 0.98 0.00 0.00 173.24 173.48 1k83 n ARG 1222N 9.30 1.21 -0.62 4.02 1.74 -1.26 -4.72 116.66 126.34 1k83 n ARG 1222Ca 0.10 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.08 1k83 n ARG 1222Cb 0.50 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.98 1k83 n ARG 1222CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1k83 n ASP 1223N -0.41 4.88 -0.33 0.55 8.00 -1.26 -5.19 116.55 122.79 1k83 n ASP 1223Ca 0.00 -2.72 0.04 0.00 0.71 0.00 0.00 54.79 52.82 1k83 n ASP 1223Cb 0.00 -0.88 0.03 0.00 -0.02 0.00 0.00 41.12 40.26 1k83 n ASP 1223CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30