#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h38 s THR 3 N 0.00 5.30 -0.58 3.41 -4.23 -1.26 -4.79 115.64 113.48 1h38 s THR 3 Ca 0.00 0.37 -0.26 0.00 -1.18 0.00 0.00 61.69 60.62 1h38 s THR 3 Cb 0.00 -3.55 -0.09 0.00 1.34 0.00 0.00 72.50 70.20 1h38 s THR 3 CO 0.00 0.51 2.42 -0.38 -0.54 0.00 0.00 174.62 176.63 1h38 n ILE 4 N 1.60 -0.06 -1.67 2.99 5.41 -1.23 -4.87 119.36 121.52 1h38 n ILE 4 Ca -0.15 -0.72 -0.52 0.00 1.00 0.00 0.00 62.75 62.36 1h38 n ILE 4 Cb 0.53 -2.56 -0.06 0.00 -0.71 0.00 0.00 39.64 36.84 1h38 n ILE 4 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1h38 n ASN 5 N 16.63 2.61 0.10 4.38 3.02 -1.26 -4.60 115.26 136.14 1h38 n ASN 5 Ca 0.40 1.06 -0.03 0.00 -0.03 0.00 0.00 54.58 55.98 1h38 n ASN 5 Cb 0.51 -1.25 0.01 0.00 -0.61 0.00 0.00 39.78 38.44 1h38 n ASN 5 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1h38 h ILE 6 N 4.68 1.44 0.00 2.41 1.08 -1.89 -3.38 117.51 121.85 1h38 h ILE 6 Ca -0.47 -2.75 -0.00 0.00 -0.39 0.00 0.00 64.86 61.25 1h38 h ILE 6 Cb 1.30 2.53 -0.00 0.00 -3.07 0.00 0.00 36.82 37.58 1h38 h ILE 6 CO 0.91 0.76 0.22 0.00 -0.69 0.00 0.00 178.15 179.35 1h38 n ALA 7 N -2.34 1.42 -3.00 1.87 0.00 -1.26 -3.23 120.51 113.97 1h38 n ALA 7 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1h38 n ALA 7 Cb 0.79 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1h38 n ALA 7 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1h38 n LYS 8 N 2.47 0.37 0.00 0.00 5.02 -1.26 -4.95 118.16 119.81 1h38 n LYS 8 Ca 0.01 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.41 1h38 n LYS 8 Cb 0.03 0.00 0.59 0.00 -0.02 0.00 0.00 35.03 35.63 1h38 n LYS 8 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1h38 n ASN 9 N 0.00 0.00 0.00 4.39 3.02 -1.26 -2.27 115.26 119.14 1h38 n ASN 9 Ca 0.00 -0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 1h38 n ASN 9 Cb 0.00 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 1h38 n ASN 9 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1h38 n ASP 10 N -1.20 0.00 0.28 6.41 -0.08 -1.24 -3.09 116.55 117.63 1h38 n ASP 10 Ca 0.12 0.63 0.16 0.00 -1.51 0.00 0.00 54.79 54.19 1h38 n ASP 10 Cb 0.14 -0.35 0.80 0.00 2.34 0.00 0.00 41.12 44.06 1h38 n ASP 10 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1h38 h PHE 11 N 0.00 0.00 -1.14 -0.67 0.04 -1.63 -0.88 116.94 112.65 1h38 h PHE 11 Ca 0.00 0.00 0.32 0.00 2.80 0.00 0.00 57.97 61.09 1h38 h PHE 11 Cb 0.00 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.08 1h38 h PHE 11 CO 0.09 0.07 0.79 1.03 -0.60 0.00 0.00 178.31 179.69 1h38 h SER 12 N 0.00 0.17 -0.96 2.17 0.87 -1.51 -0.68 113.55 113.61 1h38 h SER 12 Ca -0.00 0.04 0.22 0.00 -1.23 0.00 0.00 61.79 60.82 1h38 h SER 12 Cb 0.34 0.01 -0.18 0.00 -0.44 0.00 0.00 62.40 62.13 1h38 h SER 12 CO 0.01 0.02 -0.11 -0.78 -0.53 0.00 0.00 176.83 175.44 1h38 h ASP 13 N 0.14 -0.68 0.00 6.23 -0.00 -1.08 -1.18 116.42 119.84 1h38 h ASP 13 Ca 0.59 0.28 -0.10 0.00 -0.00 0.00 0.00 57.03 57.80 1h38 h ASP 13 Cb 2.02 0.53 -0.04 0.00 -0.00 0.00 0.00 39.33 41.85 1h38 h ASP 13 CO -0.13 -0.32 0.04 -0.38 -0.00 0.00 0.00 179.24 178.45 1h38 n ILE 14 N -5.54 1.52 -1.53 2.25 5.41 -0.26 -4.85 119.36 116.36 1h38 n ILE 14 Ca 0.18 -0.76 -0.31 0.00 1.00 0.00 0.00 62.75 62.86 1h38 n ILE 14 Cb 0.60 -1.75 -0.10 0.00 -0.71 0.00 0.00 39.64 37.69 1h38 n ILE 14 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1h38 n GLU 15 N 2.73 0.53 0.00 0.38 1.02 -0.45 -4.75 120.64 120.10 1h38 n GLU 15 Ca 0.22 -0.17 0.04 0.00 -0.02 0.00 0.00 57.16 57.23 1h38 n GLU 15 Cb 0.47 -2.65 0.25 0.00 -0.02 0.00 0.00 31.44 29.48 1h38 n GLU 15 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1h38 n LEU 16 N 13.69 0.00 -0.02 -4.62 -0.00 -1.26 -3.25 117.00 121.54 1h38 n LEU 16 Ca 0.51 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 56.48 1h38 n LEU 16 Cb 0.33 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.73 1h38 n LEU 16 CO 0.79 0.00 -0.65 0.00 -0.00 0.00 0.00 177.39 177.53 1h38 n ALA 17 N -0.82 2.34 -3.85 1.47 0.00 -1.26 -4.60 120.51 113.78 1h38 n ALA 17 Ca 0.06 -0.19 -0.27 0.00 0.00 0.00 0.00 53.44 53.04 1h38 n ALA 17 Cb 0.03 0.42 -0.17 0.00 0.00 0.00 0.00 19.45 19.73 1h38 n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h38 s ALA 18 N -2.09 1.32 -0.27 0.00 0.00 -1.20 -5.08 121.76 114.44 1h38 s ALA 18 Ca -0.06 -0.72 -0.37 0.00 0.00 0.00 0.00 51.96 50.80 1h38 s ALA 18 Cb 0.02 -1.08 0.16 0.00 0.00 0.00 0.00 23.12 22.21 1h38 s ALA 18 CO 0.09 -0.80 1.35 0.42 0.00 0.00 0.00 175.76 176.82 1h38 s ILE 19 N 1.71 0.00 -0.57 0.00 -1.09 -1.26 -4.53 121.20 115.46 1h38 s ILE 19 Ca 0.01 0.00 -0.04 0.00 -2.23 0.00 0.00 60.65 58.39 1h38 s ILE 19 Cb -0.15 -1.00 -0.05 0.00 -1.58 0.00 0.00 42.46 39.68 1h38 s ILE 19 CO -0.07 0.00 1.81 -0.81 -1.23 0.00 0.00 174.94 174.64 1h38 n PRO 20 N 0.01 1.42 -0.17 2.79 -0.04 -1.26 -3.96 135.00 133.78 1h38 n PRO 20 Ca 0.04 -1.08 0.09 0.00 -0.04 0.00 0.00 63.50 62.51 1h38 n PRO 20 Cb 0.57 -2.23 0.18 0.00 -0.04 0.00 0.00 33.50 31.98 1h38 n PRO 20 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1h38 n PHE 21 N 4.16 0.46 0.00 0.54 1.16 -1.26 -4.39 117.46 118.12 1h38 n PHE 21 Ca 0.30 -0.32 0.00 0.00 -1.87 0.00 0.00 57.45 55.57 1h38 n PHE 21 Cb 0.14 -0.01 0.00 0.00 -1.61 0.00 0.00 39.48 38.00 1h38 n PHE 21 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1h38 n ASN 22 N 1.05 0.00 0.19 5.98 3.02 -1.25 -0.51 115.26 123.73 1h38 n ASN 22 Ca 0.15 0.35 -0.08 0.00 -0.03 0.00 0.00 54.58 54.97 1h38 n ASN 22 Cb 0.49 -0.35 -0.04 0.00 -0.61 0.00 0.00 39.78 39.27 1h38 n ASN 22 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1h38 h THR 23 N 0.00 0.00 0.46 3.41 2.02 -1.93 -2.40 112.91 114.47 1h38 h THR 23 Ca 0.00 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 1h38 h THR 23 Cb 0.10 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 1h38 h THR 23 CO 0.00 0.00 -0.33 -0.07 0.37 0.00 0.00 175.52 175.49 1h38 h LEU 24 N -1.04 -0.86 -0.97 2.58 3.38 -1.14 0.10 115.31 117.36 1h38 h LEU 24 Ca -0.06 0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.09 1h38 h LEU 24 Cb 0.41 0.27 -0.14 0.00 0.09 0.00 0.00 40.66 41.30 1h38 h LEU 24 CO 0.09 -0.50 -0.50 0.00 0.09 0.00 0.00 178.44 177.62 1h38 h ALA 25 N -0.34 -0.26 -0.32 1.53 0.00 -1.40 0.72 119.26 119.20 1h38 h ALA 25 Ca -0.05 0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1h38 h ALA 25 Cb 0.66 1.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.64 1h38 h ALA 25 CO 0.01 -0.83 -0.14 0.22 0.00 0.00 0.00 179.25 178.52 1h38 h ASP 26 N -0.02 0.54 -0.16 0.00 3.58 -1.23 0.90 116.42 120.03 1h38 h ASP 26 Ca 0.23 -0.15 -0.22 0.00 0.42 0.00 0.00 57.03 57.31 1h38 h ASP 26 Cb 0.49 -0.15 0.01 0.00 1.72 0.00 0.00 39.33 41.41 1h38 h ASP 26 CO -0.94 0.71 -0.77 -0.74 -2.88 0.00 0.00 179.24 174.62 1h38 h HIS 27 N 0.51 1.08 0.00 0.28 2.76 0.24 -3.38 115.15 116.64 1h38 h HIS 27 Ca 0.09 -0.47 -0.02 0.00 -2.20 0.00 0.00 60.37 57.77 1h38 h HIS 27 Cb 0.54 -0.17 -0.04 0.00 1.55 0.00 0.00 27.41 29.29 1h38 h HIS 27 CO 0.02 1.31 -0.45 0.66 -1.30 0.00 0.00 177.93 178.16 1h38 n TYR 28 N -3.94 0.00 0.00 5.26 4.02 0.21 -5.07 117.16 117.64 1h38 n TYR 28 Ca -0.07 -0.29 0.00 0.00 -0.01 0.00 0.00 57.90 57.53 1h38 n TYR 28 Cb 0.74 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.98 1h38 n TYR 28 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1h38 n GLY 29 N -0.27 0.53 0.12 2.72 0.00 0.31 -4.48 105.19 104.12 1h38 n GLY 29 Ca 0.04 -1.86 -0.20 0.00 0.00 0.00 0.00 46.02 44.00 1h38 n GLY 29 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1h38 h GLU 30 N 0.00 0.27 0.25 1.61 5.08 -1.89 -3.06 114.58 116.83 1h38 h GLU 30 Ca 0.00 -0.45 -0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1h38 h GLU 30 Cb 0.00 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1h38 h GLU 30 CO 0.00 1.22 -0.42 -0.09 -1.00 0.00 0.00 179.01 178.72 1h38 h ARG 31 N -0.39 -0.68 -0.50 2.33 2.43 -1.93 0.42 114.38 116.06 1h38 h ARG 31 Ca -0.20 0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.12 1h38 h ARG 31 Cb 1.65 0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 31.28 1h38 h ARG 31 CO 0.11 -0.46 0.02 -0.07 -1.51 0.00 0.00 179.97 178.06 1h38 h LEU 32 N -0.71 -0.18 -0.58 3.80 4.07 -1.78 0.17 115.31 120.09 1h38 h LEU 32 Ca -0.03 0.11 0.10 0.00 0.08 0.00 0.00 57.88 58.14 1h38 h LEU 32 Cb 0.66 0.20 -0.07 0.00 1.08 0.00 0.00 40.66 42.52 1h38 h LEU 32 CO -0.14 -0.06 0.17 0.00 -1.08 0.00 0.00 178.44 177.33 1h38 h ALA 33 N 1.44 0.71 0.00 1.53 0.00 -1.30 0.26 119.26 121.91 1h38 h ALA 33 Ca 0.25 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 1h38 h ALA 33 Cb 0.38 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1h38 h ALA 33 CO -0.40 -0.25 -0.37 0.00 0.00 0.00 0.00 179.25 178.22 1h38 h ARG 34 N 0.33 0.00 0.12 0.00 3.08 0.11 -2.84 114.38 115.18 1h38 h ARG 34 Ca 0.30 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.34 1h38 h ARG 34 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1h38 h ARG 34 CO -0.33 0.37 -0.06 1.49 -1.07 0.00 0.00 179.97 180.37 1h38 h GLU 35 N 0.00 -0.16 -0.49 0.04 4.81 0.12 -2.12 114.58 116.79 1h38 h GLU 35 Ca -0.00 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.33 1h38 h GLU 35 Cb 0.82 0.04 -0.10 0.00 0.63 0.00 0.00 28.75 30.13 1h38 h GLU 35 CO 0.05 0.31 -0.29 1.96 -0.73 0.00 0.00 179.01 180.31 1h38 h GLN 36 N -0.75 -0.17 -0.11 1.92 1.08 -0.56 0.62 115.11 117.13 1h38 h GLN 36 Ca -0.02 0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.15 1h38 h GLN 36 Cb 0.54 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.00 1h38 h GLN 36 CO 0.03 -0.12 -0.12 -0.07 -0.95 0.00 0.00 178.83 177.60 1h38 h LEU 37 N -0.18 0.16 -0.07 1.46 3.38 -1.57 0.13 115.31 118.61 1h38 h LEU 37 Ca 0.21 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 1h38 h LEU 37 Cb 0.52 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1h38 h LEU 37 CO -0.59 0.31 -0.14 0.00 0.09 0.00 0.00 178.44 178.10 1h38 h ALA 38 N 1.71 0.12 -0.36 1.53 0.00 -0.11 -0.22 119.26 121.93 1h38 h ALA 38 Ca 0.03 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.66 1h38 h ALA 38 Cb 0.33 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1h38 h ALA 38 CO 0.02 0.01 0.05 1.25 0.00 0.00 0.00 179.25 180.58 1h38 h LEU 39 N -0.25 -0.03 -0.96 0.00 5.85 0.49 0.54 115.31 120.94 1h38 h LEU 39 Ca 0.00 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 1h38 h LEU 39 Cb 0.72 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 1h38 h LEU 39 CO 0.03 0.02 -0.11 -0.33 -0.34 0.00 0.00 178.44 177.71 1h38 h GLU 40 N 0.17 0.63 -0.31 1.25 5.08 -0.76 -1.62 114.58 119.02 1h38 h GLU 40 Ca 0.17 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1h38 h GLU 40 Cb 0.21 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1h38 h GLU 40 CO -0.25 0.73 0.11 1.25 -1.00 0.00 0.00 179.01 179.85 1h38 h HIS 41 N 0.58 0.49 -0.57 4.33 2.76 0.24 -2.99 115.15 119.99 1h38 h HIS 41 Ca 0.10 -0.05 0.04 0.00 -2.20 0.00 0.00 60.37 58.27 1h38 h HIS 41 Cb 0.53 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.30 1h38 h HIS 41 CO 0.02 0.49 0.31 1.49 -1.30 0.00 0.00 177.93 178.95 1h38 h GLU 42 N 0.35 0.59 -1.02 5.26 4.81 0.37 -1.67 114.58 123.26 1h38 h GLU 42 Ca 0.10 -0.04 0.26 0.00 -0.13 0.00 0.00 59.36 59.55 1h38 h GLU 42 Cb 0.22 -0.13 -0.08 0.00 0.63 0.00 0.00 28.75 29.39 1h38 h GLU 42 CO -0.01 0.39 0.67 0.77 -0.73 0.00 0.00 179.01 180.10 1h38 h SER 43 N 0.60 0.41 1.12 1.04 0.02 -1.15 0.49 113.55 116.08 1h38 h SER 43 Ca 0.24 0.07 -0.16 0.00 -0.84 0.00 0.00 61.79 61.10 1h38 h SER 43 Cb 0.11 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1h38 h SER 43 CO -0.14 0.10 -0.75 1.88 -1.14 0.00 0.00 176.83 176.78 1h38 h TYR 44 N 0.37 0.00 -0.44 3.45 -1.99 -1.32 0.07 116.97 117.12 1h38 h TYR 44 Ca 0.56 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 61.23 1h38 h TYR 44 Cb 1.48 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 40.20 1h38 h TYR 44 CO -0.00 0.75 0.02 0.93 -0.00 0.00 0.00 178.16 179.85 1h38 h GLU 45 N 0.00 0.76 -0.49 4.88 5.08 0.11 -0.79 114.58 124.12 1h38 h GLU 45 Ca -0.01 -0.23 -0.08 0.00 -1.00 0.00 0.00 59.36 58.04 1h38 h GLU 45 Cb 1.51 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.67 1h38 h GLU 45 CO 0.10 0.82 -0.03 0.52 -1.00 0.00 0.00 179.01 179.41 1h38 h MET 46 N 0.60 0.85 -0.22 2.33 2.86 -1.02 -0.55 114.93 119.79 1h38 h MET 46 Ca 0.13 -0.25 -0.09 0.00 -2.06 0.00 0.00 59.70 57.43 1h38 h MET 46 Cb 0.46 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1h38 h MET 46 CO 0.02 0.87 -0.24 0.78 1.06 0.00 0.00 176.91 179.39 1h38 h GLY 47 N 0.98 0.43 0.65 8.32 0.00 -1.10 -0.70 103.07 111.65 1h38 h GLY 47 Ca 0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1h38 h GLY 47 CO 0.03 0.31 -0.01 -2.09 0.00 0.00 0.00 176.54 174.78 1h38 h GLU 48 N 0.36 0.07 -0.34 4.80 4.81 -0.52 -1.40 114.58 122.35 1h38 h GLU 48 Ca 0.06 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1h38 h GLU 48 Cb 0.62 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1h38 h GLU 48 CO 0.04 0.43 0.09 0.00 -0.73 0.00 0.00 179.01 178.84 1h38 h ALA 49 N 0.64 1.51 0.29 2.92 0.00 -1.01 -0.47 119.26 123.13 1h38 h ALA 49 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1h38 h ALA 49 Cb 0.41 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1h38 h ALA 49 CO 0.00 0.37 -0.29 -0.09 0.00 0.00 0.00 179.25 179.25 1h38 h ARG 50 N 0.49 -0.59 -0.30 0.00 2.43 -0.91 0.51 114.38 116.01 1h38 h ARG 50 Ca 0.12 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1h38 h ARG 50 Cb 0.19 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1h38 h ARG 50 CO -0.00 -0.39 0.18 0.35 -1.51 0.00 0.00 179.97 178.60 1h38 h PHE 51 N -0.61 0.39 0.63 2.20 3.57 -0.74 -2.12 116.94 120.26 1h38 h PHE 51 Ca -0.01 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1h38 h PHE 51 Cb 0.56 -0.13 0.01 0.00 2.79 0.00 0.00 35.95 39.17 1h38 h PHE 51 CO -0.18 0.26 -0.30 0.00 -2.23 0.00 0.00 178.31 175.87 1h38 h ARG 52 N 0.41 -0.81 -0.97 1.11 2.47 -0.39 0.25 114.38 116.45 1h38 h ARG 52 Ca 0.11 0.06 0.22 0.00 -1.26 0.00 0.00 59.98 59.11 1h38 h ARG 52 Cb -0.01 0.18 -0.12 0.00 -1.65 0.00 0.00 29.97 28.37 1h38 h ARG 52 CO -0.02 -0.54 0.55 0.87 0.56 0.00 0.00 179.97 181.39 1h38 h LYS 53 N -1.16 0.57 0.13 0.04 1.57 -0.81 0.28 116.57 117.19 1h38 h LYS 53 Ca -0.09 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1h38 h LYS 53 Cb 0.64 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1h38 h LYS 53 CO 0.14 0.38 -0.06 1.98 -0.57 0.00 0.00 179.45 181.32 1h38 h MET 54 N 0.59 -0.16 0.00 3.15 4.05 -1.32 -2.64 114.93 118.60 1h38 h MET 54 Ca 0.60 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 60.03 1h38 h MET 54 Cb 1.09 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.93 1h38 h MET 54 CO -0.46 0.10 -0.03 0.35 0.23 0.00 0.00 176.91 177.10 1h38 h PHE 55 N -0.42 0.00 0.37 1.39 3.57 0.12 -2.14 116.94 119.82 1h38 h PHE 55 Ca -0.02 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 1h38 h PHE 55 Cb 0.34 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.09 1h38 h PHE 55 CO 0.01 0.03 -0.18 1.49 -2.23 0.00 0.00 178.31 177.44 1h38 h GLU 56 N 0.00 -0.48 -0.90 1.11 4.22 -0.18 -2.52 114.58 115.84 1h38 h GLU 56 Ca -0.00 0.03 0.23 0.00 0.08 0.00 0.00 59.36 59.70 1h38 h GLU 56 Cb 0.09 0.11 -0.13 0.00 0.50 0.00 0.00 28.75 29.32 1h38 h GLU 56 CO 0.00 -0.32 0.38 0.00 -2.18 0.00 0.00 179.01 176.90 1h38 h ARG 57 N -0.51 0.37 -0.47 1.92 3.08 -1.21 -0.32 114.38 117.23 1h38 h ARG 57 Ca -0.05 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.07 1h38 h ARG 57 Cb 0.38 -0.08 -0.09 0.00 0.08 0.00 0.00 29.97 30.25 1h38 h ARG 57 CO 0.08 0.24 -0.15 1.96 -1.07 0.00 0.00 179.97 181.04 1h38 h GLN 58 N 0.38 -0.04 -0.20 0.04 1.08 -1.24 -1.59 115.11 113.54 1h38 h GLN 58 Ca 0.57 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.67 1h38 h GLN 58 Cb 1.09 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.53 1h38 h GLN 58 CO -0.54 -0.02 -0.24 -0.07 -0.95 0.00 0.00 178.83 177.00 1h38 h LEU 59 N -0.04 0.56 -0.34 1.46 3.38 -0.68 0.29 115.31 119.94 1h38 h LEU 59 Ca 0.22 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1h38 h LEU 59 Cb 0.38 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1h38 h LEU 59 CO -0.50 0.94 0.34 1.17 0.09 0.00 0.00 178.44 180.48 1h38 n LYS 60 N -4.40 0.04 -0.55 1.13 4.81 -0.35 -0.01 118.16 118.82 1h38 n LYS 60 Ca -0.05 0.39 0.03 0.00 -0.87 0.00 0.00 58.31 57.80 1h38 n LYS 60 Cb 0.43 -1.96 0.04 0.00 0.02 0.00 0.00 35.03 33.56 1h38 n LYS 60 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1h38 n ALA 61 N -1.36 2.17 -1.13 3.14 0.00 -0.95 -4.97 120.51 117.41 1h38 n ALA 61 Ca -0.00 -1.61 -0.05 0.00 0.00 0.00 0.00 53.44 51.78 1h38 n ALA 61 Cb 0.35 -0.50 -0.02 0.00 0.00 0.00 0.00 19.45 19.28 1h38 n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h38 n GLY 62 N -0.27 0.47 0.63 0.00 0.00 0.98 -4.76 105.19 102.24 1h38 n GLY 62 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.08 1h38 n GLY 62 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h38 n GLU 63 N 0.19 1.41 0.10 1.61 1.02 0.98 -3.98 120.64 121.98 1h38 n GLU 63 Ca -0.05 -0.33 0.14 0.00 -0.02 0.00 0.00 57.16 56.90 1h38 n GLU 63 Cb 0.54 -1.56 0.66 0.00 -0.02 0.00 0.00 31.44 31.05 1h38 n GLU 63 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1h38 h VAL 64 N 0.43 0.86 -0.00 2.62 2.07 -1.80 0.61 116.25 121.04 1h38 h VAL 64 Ca 0.00 -0.01 -0.16 0.00 0.82 0.00 0.00 66.70 67.35 1h38 h VAL 64 Cb 0.64 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1h38 h VAL 64 CO 0.05 0.01 -0.78 0.00 0.02 0.00 0.00 177.57 176.87 1h38 h ALA 65 N 1.84 0.71 -0.26 1.67 0.00 -1.91 -3.19 119.26 118.13 1h38 h ALA 65 Ca 0.15 -0.70 -0.30 0.00 0.00 0.00 0.00 54.91 54.06 1h38 h ALA 65 Cb 0.55 -0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.11 1h38 h ALA 65 CO -0.01 0.96 0.05 -0.25 0.00 0.00 0.00 179.25 180.00 1h38 n ASP 66 N -3.63 5.86 -3.80 0.00 10.43 0.21 -4.54 116.55 121.08 1h38 n ASP 66 Ca -0.01 -2.81 -0.12 0.00 2.57 0.00 0.00 54.79 54.41 1h38 n ASP 66 Cb 0.75 -1.27 -0.10 0.00 1.84 0.00 0.00 41.12 42.34 1h38 n ASP 66 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 1h38 s ASN 67 N 1.16 -0.13 0.28 -2.24 3.84 -1.21 -5.01 114.94 111.63 1h38 s ASN 67 Ca 0.51 0.07 0.22 0.00 0.21 0.00 0.00 52.86 53.87 1h38 s ASN 67 Cb 0.30 0.32 1.06 0.00 -0.55 0.00 0.00 41.25 42.37 1h38 s ASN 67 CO -0.08 -0.36 1.67 0.00 -2.79 0.00 0.00 177.10 175.54 1h38 n ALA 68 N 1.64 1.33 0.08 1.71 0.00 -1.26 -2.15 120.51 121.86 1h38 n ALA 68 Ca -0.20 0.14 -0.07 0.00 0.00 0.00 0.00 53.44 53.31 1h38 n ALA 68 Cb 0.56 -1.34 0.05 0.00 0.00 0.00 0.00 19.45 18.72 1h38 n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h38 h ALA 69 N 2.12 0.68 0.00 0.00 0.00 -1.91 -3.32 119.26 116.83 1h38 h ALA 69 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1h38 h ALA 69 Cb 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1h38 h ALA 69 CO 0.00 0.82 -0.91 0.00 0.00 0.00 0.00 179.25 179.16 1h38 n ALA 70 N -2.47 4.49 0.06 0.00 0.00 -0.91 -4.51 120.51 117.17 1h38 n ALA 70 Ca -0.03 -0.54 -0.06 0.00 0.00 0.00 0.00 53.44 52.81 1h38 n ALA 70 Cb 0.71 -0.70 0.11 0.00 0.00 0.00 0.00 19.45 19.58 1h38 n ALA 70 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1h38 h LYS 71 N 0.00 0.35 -0.51 0.00 1.57 -1.60 -2.99 116.57 113.38 1h38 h LYS 71 Ca 0.00 -0.22 0.03 0.00 -1.87 0.00 0.00 60.65 58.58 1h38 h LYS 71 Cb 0.46 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 1h38 h LYS 71 CO 0.00 0.82 0.30 -1.00 -0.57 0.00 0.00 179.45 179.00 1h38 h PRO 72 N 0.27 0.58 0.50 3.15 0.13 -1.80 -1.84 132.00 132.98 1h38 h PRO 72 Ca 0.00 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.07 1h38 h PRO 72 Cb 1.07 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1h38 h PRO 72 CO 0.09 0.38 -0.24 -0.07 -0.23 0.00 0.00 178.00 177.93 1h38 h LEU 73 N 0.59 -0.57 -1.59 1.56 3.38 -1.85 -2.78 115.31 114.05 1h38 h LEU 73 Ca 0.21 -0.01 0.22 0.00 0.09 0.00 0.00 57.88 58.39 1h38 h LEU 73 Cb 0.04 0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 1h38 h LEU 73 CO -0.10 -0.36 0.61 0.40 0.09 0.00 0.00 178.44 179.07 1h38 h ILE 74 N -0.73 0.64 0.00 1.22 2.04 -1.42 0.66 117.51 119.91 1h38 h ILE 74 Ca -0.07 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1h38 h ILE 74 Cb 0.55 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1h38 h ILE 74 CO 0.11 0.06 -0.05 0.74 0.00 0.00 0.00 178.15 179.01 1h38 h THR 75 N 0.33 0.27 0.00 -0.27 2.02 -1.04 -0.01 112.91 114.21 1h38 h THR 75 Ca 0.47 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 67.33 1h38 h THR 75 Cb 1.31 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.96 1h38 h THR 75 CO -0.16 0.05 -1.47 0.35 0.37 0.00 0.00 175.52 174.66 1h38 n THR 76 N -3.37 0.00 0.02 3.16 -2.24 0.19 -4.51 114.28 107.52 1h38 n THR 76 Ca -0.02 -0.29 -0.08 0.00 -2.27 0.00 0.00 64.05 61.39 1h38 n THR 76 Cb 0.19 0.30 -0.13 0.00 -2.10 0.00 0.00 70.33 68.59 1h38 n THR 76 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1h38 h LEU 77 N 0.00 0.02 -0.36 3.22 4.07 0.04 -3.37 115.31 118.94 1h38 h LEU 77 Ca 0.00 -0.04 -0.03 0.00 0.08 0.00 0.00 57.88 57.90 1h38 h LEU 77 Cb 0.56 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.28 1h38 h LEU 77 CO 0.00 1.03 0.12 0.25 -1.08 0.00 0.00 178.44 178.76 1h38 h LEU 78 N 0.00 0.51 -0.19 1.67 5.85 -1.23 -2.75 115.31 119.17 1h38 h LEU 78 Ca -0.16 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1h38 h LEU 78 Cb 1.90 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.79 1h38 h LEU 78 CO 0.11 0.57 0.12 1.55 -0.34 0.00 0.00 178.44 180.45 1h38 h PRO 79 N 0.43 0.26 -0.50 5.25 0.13 -1.80 0.11 132.00 135.87 1h38 h PRO 79 Ca 0.12 -0.02 0.10 0.00 -0.87 0.00 0.00 66.00 65.33 1h38 h PRO 79 Cb 0.23 -0.06 -0.10 0.00 0.13 0.00 0.00 31.00 31.21 1h38 h PRO 79 CO -0.01 0.19 -0.14 0.87 -0.23 0.00 0.00 178.00 178.68 1h38 h LYS 80 N 0.25 -0.02 0.32 0.86 1.57 -1.70 -0.64 116.57 117.21 1h38 h LYS 80 Ca 0.07 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1h38 h LYS 80 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1h38 h LYS 80 CO -0.01 -0.01 -0.15 1.98 -0.57 0.00 0.00 179.45 180.68 1h38 h MET 81 N -0.02 -0.41 -0.83 3.15 4.05 -1.22 -2.15 114.93 117.50 1h38 h MET 81 Ca 0.24 0.03 0.16 0.00 -0.28 0.00 0.00 59.70 59.85 1h38 h MET 81 Cb 0.39 0.09 -0.10 0.00 -0.80 0.00 0.00 31.60 31.18 1h38 h MET 81 CO -0.53 -0.20 0.38 0.82 0.23 0.00 0.00 176.91 177.61 1h38 h ILE 82 N -0.54 0.64 0.07 1.77 2.04 -0.25 -1.11 117.51 120.13 1h38 h ILE 82 Ca -0.04 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 1h38 h ILE 82 Cb 0.40 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1h38 h ILE 82 CO 0.07 0.09 -0.03 0.00 0.00 0.00 0.00 178.15 178.28 1h38 h ALA 83 N 1.59 -0.09 -0.45 1.87 0.00 -1.02 -2.18 119.26 118.99 1h38 h ALA 83 Ca 0.47 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.40 1h38 h ALA 83 Cb 0.75 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.48 1h38 h ALA 83 CO -0.42 -0.50 -0.38 -0.09 0.00 0.00 0.00 179.25 177.86 1h38 h ARG 84 N -0.18 -0.26 -0.41 0.00 1.12 -0.54 -0.22 114.38 113.90 1h38 h ARG 84 Ca -0.01 0.02 0.04 0.00 -1.11 0.00 0.00 59.98 58.92 1h38 h ARG 84 Cb 0.16 0.06 -0.04 0.00 -0.01 0.00 0.00 29.97 30.13 1h38 h ARG 84 CO 0.01 -0.17 0.17 0.82 -3.11 0.00 0.00 179.97 177.70 1h38 h ILE 85 N -0.27 0.92 -0.22 1.20 2.04 -1.39 0.29 117.51 120.08 1h38 h ILE 85 Ca 0.17 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.96 1h38 h ILE 85 Cb 0.56 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 1h38 h ILE 85 CO -0.59 0.06 -0.13 0.78 0.00 0.00 0.00 178.15 178.28 1h38 h ASN 86 N 0.36 -0.43 0.07 1.72 -0.26 -0.47 0.32 115.58 116.89 1h38 h ASN 86 Ca 0.18 0.10 0.00 0.00 -0.56 0.00 0.00 56.30 56.02 1h38 h ASN 86 Cb 0.13 0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.61 1h38 h ASN 86 CO -0.16 -0.17 -0.07 0.44 -1.06 0.00 0.00 177.43 176.42 1h38 h ASP 87 N -0.11 -0.18 -0.91 5.81 3.32 -0.83 -2.58 116.42 120.94 1h38 h ASP 87 Ca 0.12 0.02 0.15 0.00 0.02 0.00 0.00 57.03 57.34 1h38 h ASP 87 Cb 0.30 0.07 -0.07 0.00 0.22 0.00 0.00 39.33 39.84 1h38 h ASP 87 CO -0.29 -0.11 0.58 -0.25 -1.72 0.00 0.00 179.24 177.45 1h38 h TRP 88 N -0.15 0.84 -0.64 4.55 2.91 -0.31 0.12 115.95 123.28 1h38 h TRP 88 Ca 0.01 0.02 -0.08 0.00 1.13 0.00 0.00 58.89 59.97 1h38 h TRP 88 Cb 0.15 -0.26 -0.03 0.00 -0.51 0.00 0.00 29.16 28.51 1h38 h TRP 88 CO -0.11 0.30 0.10 0.74 -1.03 0.00 0.00 178.44 178.44 1h38 h PHE 89 N 0.70 1.10 -0.01 2.65 -1.00 0.01 -2.50 116.94 117.89 1h38 h PHE 89 Ca 0.46 -0.15 -0.15 0.00 2.81 0.00 0.00 57.97 60.95 1h38 h PHE 89 Cb 0.75 -0.31 -0.02 0.00 3.61 0.00 0.00 35.95 39.99 1h38 h PHE 89 CO -0.00 0.93 -0.68 0.93 -1.61 0.00 0.00 178.31 177.88 1h38 h GLU 90 N 0.98 0.05 -0.89 1.51 5.08 -0.70 -2.42 114.58 118.18 1h38 h GLU 90 Ca 0.19 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1h38 h GLU 90 Cb 0.43 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 1h38 h GLU 90 CO 0.01 0.71 0.48 0.93 -1.00 0.00 0.00 179.01 180.15 1h38 h GLU 91 N 0.03 1.24 0.03 2.33 5.08 -0.52 -1.65 114.58 121.12 1h38 h GLU 91 Ca -0.01 -0.15 -0.27 0.00 -1.00 0.00 0.00 59.36 57.93 1h38 h GLU 91 Cb 1.21 -0.24 0.02 0.00 0.50 0.00 0.00 28.75 30.24 1h38 h GLU 91 CO 0.09 0.91 -1.08 0.28 -1.00 0.00 0.00 179.01 178.21 1h38 h VAL 92 N 1.25 1.29 0.00 3.13 2.07 -1.35 -3.25 116.25 119.39 1h38 h VAL 92 Ca 0.31 -2.32 -0.04 0.00 0.82 0.00 0.00 66.70 65.48 1h38 h VAL 92 Cb 0.03 2.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1h38 h VAL 92 CO -0.05 0.71 -0.17 0.11 0.02 0.00 0.00 177.57 178.19 1h38 h LYS 93 N 0.36 0.00 -0.81 1.57 1.57 -1.26 -2.40 116.57 115.60 1h38 h LYS 93 Ca -0.14 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1h38 h LYS 93 Cb 1.74 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.03 1h38 h LYS 93 CO 0.21 0.17 0.03 0.00 -0.57 0.00 0.00 179.45 179.29 1h38 n ALA 94 N -2.24 3.28 -3.72 3.86 0.00 -0.64 -4.80 120.51 116.25 1h38 n ALA 94 Ca -0.01 -1.01 -0.13 0.00 0.00 0.00 0.00 53.44 52.30 1h38 n ALA 94 Cb 0.34 -1.08 -0.13 0.00 0.00 0.00 0.00 19.45 18.57 1h38 n ALA 94 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1h38 s LYS 95 N -1.87 0.19 0.89 0.00 1.02 -0.90 -5.06 119.74 114.01 1h38 s LYS 95 Ca 0.28 0.54 -0.12 0.00 0.02 0.00 0.00 55.97 56.69 1h38 s LYS 95 Cb 0.21 -0.12 0.12 0.00 -0.52 0.00 0.00 37.83 37.53 1h38 s LYS 95 CO 0.08 -0.18 1.12 1.03 -0.92 0.00 0.00 175.35 176.48 1h38 s ARG 96 N 1.39 1.33 0.00 1.68 3.00 -1.26 -4.93 118.95 120.16 1h38 s ARG 96 Ca -0.08 0.43 0.00 0.00 0.00 0.00 0.00 55.73 56.08 1h38 s ARG 96 Cb -0.11 -1.85 0.00 0.00 0.00 0.00 0.00 34.95 32.99 1h38 s ARG 96 CO -0.08 -2.10 0.00 0.41 0.00 0.00 0.00 175.30 173.53 1h38 n GLY 97 N -2.03 2.17 3.47 -3.53 0.00 -1.26 -4.92 105.19 99.09 1h38 n GLY 97 Ca 0.07 -1.68 -0.56 0.00 0.00 0.00 0.00 46.02 43.85 1h38 n GLY 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1h38 n LYS 98 N 2.00 0.77 -0.67 1.61 4.81 -1.26 -4.88 118.16 120.53 1h38 n LYS 98 Ca 0.00 0.24 -0.31 0.00 -0.87 0.00 0.00 58.31 57.37 1h38 n LYS 98 Cb 0.00 -2.08 0.17 0.00 0.02 0.00 0.00 35.03 33.14 1h38 n LYS 98 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1h38 n ARG 99 N 7.14 -0.65 -1.22 1.64 1.74 -1.26 -4.94 116.66 119.11 1h38 n ARG 99 Ca 0.41 -0.13 -0.34 0.00 -0.77 0.00 0.00 57.85 57.02 1h38 n ARG 99 Cb 0.12 -2.26 0.12 0.00 -1.02 0.00 0.00 32.46 29.42 1h38 n ARG 99 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1h38 s PRO 100 N -4.42 1.79 0.15 5.56 0.04 -1.26 -4.92 135.00 131.94 1h38 s PRO 100 Ca 0.65 1.79 -0.17 0.00 0.04 0.00 0.00 61.00 63.31 1h38 s PRO 100 Cb -0.23 -1.79 0.04 0.00 0.04 0.00 0.00 34.50 32.57 1h38 s PRO 100 CO 0.60 -2.11 1.73 1.15 0.04 0.00 0.00 177.00 178.42 1h38 h THR 101 N -0.69 0.85 0.12 1.26 2.02 -1.98 -2.94 112.91 111.54 1h38 h THR 101 Ca -0.47 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 66.65 1h38 h THR 101 Cb 1.30 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 1h38 h THR 101 CO 0.47 0.03 -0.09 0.00 0.37 0.00 0.00 175.52 176.31 1h38 h ALA 102 N 1.23 -0.19 -1.14 6.16 0.00 -1.92 -2.78 119.26 120.62 1h38 h ALA 102 Ca 0.15 -0.03 0.32 0.00 0.00 0.00 0.00 54.91 55.35 1h38 h ALA 102 Cb 0.16 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 17.96 1h38 h ALA 102 CO -0.19 -0.62 0.74 0.35 0.00 0.00 0.00 179.25 179.53 1h38 h PHE 103 N -0.21 0.57 -0.25 0.00 3.57 -1.90 -1.01 116.94 117.72 1h38 h PHE 103 Ca -0.01 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.58 1h38 h PHE 103 Cb 0.19 -0.16 -0.07 0.00 2.79 0.00 0.00 35.95 38.70 1h38 h PHE 103 CO -0.10 -0.03 -0.26 1.96 -2.23 0.00 0.00 178.31 177.66 1h38 h GLN 104 N 0.27 -0.25 0.04 1.11 1.08 -1.40 -2.86 115.11 113.10 1h38 h GLN 104 Ca 0.66 0.02 -0.11 0.00 -1.45 0.00 0.00 58.65 57.77 1h38 h GLN 104 Cb 1.90 0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 29.38 1h38 h GLN 104 CO -0.32 -0.17 -0.53 0.74 -0.95 0.00 0.00 178.83 177.60 1h38 h PHE 105 N -0.26 0.16 0.00 2.96 -1.00 -1.36 -3.32 116.94 114.12 1h38 h PHE 105 Ca 0.14 -0.12 0.00 0.00 2.81 0.00 0.00 57.97 60.80 1h38 h PHE 105 Cb 0.48 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.03 1h38 h PHE 105 CO -0.41 1.21 0.10 1.28 -1.61 0.00 0.00 178.31 178.87 1h38 n LEU 106 N -4.40 0.00 0.05 1.54 4.77 -0.67 -0.20 117.00 118.09 1h38 n LEU 106 Ca -0.16 0.22 0.13 0.00 -0.03 0.00 0.00 56.01 56.16 1h38 n LEU 106 Cb 0.63 -0.22 0.30 0.00 -2.33 0.00 0.00 43.42 41.81 1h38 n LEU 106 CO 0.35 -0.22 0.58 1.67 -1.33 0.00 0.00 177.39 178.45 1h38 n GLN 107 N -1.16 0.19 -0.04 3.23 7.27 -1.08 -4.09 117.38 121.70 1h38 n GLN 107 Ca 0.00 0.09 -0.19 0.00 0.07 0.00 0.00 57.00 56.98 1h38 n GLN 107 Cb 0.10 -1.66 -0.13 0.00 2.41 0.00 0.00 30.24 30.95 1h38 n GLN 107 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1h38 n GLU 108 N -1.96 0.71 -2.67 3.69 -0.58 0.73 -4.91 120.64 115.65 1h38 n GLU 108 Ca 0.05 0.22 -0.42 0.00 -0.42 0.00 0.00 57.16 56.58 1h38 n GLU 108 Cb 0.41 -1.65 -0.03 0.00 -0.57 0.00 0.00 31.44 29.59 1h38 n GLU 108 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1h38 s ILE 109 N -2.55 4.75 -0.21 -3.67 1.09 -1.25 -4.97 121.20 114.39 1h38 s ILE 109 Ca -0.24 1.99 -0.40 0.00 -1.10 0.00 0.00 60.65 60.91 1h38 s ILE 109 Cb 0.07 -4.28 -0.17 0.00 -1.06 0.00 0.00 42.46 37.03 1h38 s ILE 109 CO 0.73 0.07 1.61 1.17 -0.10 0.00 0.00 174.94 178.42 1h38 n LYS 110 N 4.57 0.98 -0.30 2.79 4.81 -1.26 -4.73 118.16 125.03 1h38 n LYS 110 Ca 0.08 0.36 0.13 0.00 -0.87 0.00 0.00 58.31 58.01 1h38 n LYS 110 Cb 0.49 -2.01 0.29 0.00 0.02 0.00 0.00 35.03 33.83 1h38 n LYS 110 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1h38 h PRO 111 N 6.21 0.18 -0.29 1.64 0.13 -1.93 -0.58 132.00 137.36 1h38 h PRO 111 Ca -0.47 -0.01 0.07 0.00 -0.87 0.00 0.00 66.00 64.72 1h38 h PRO 111 Cb 1.33 -0.04 -0.08 0.00 0.13 0.00 0.00 31.00 32.35 1h38 h PRO 111 CO 0.91 0.12 -0.25 0.93 -0.23 0.00 0.00 178.00 179.48 1h38 h GLU 112 N 0.19 -0.23 -0.89 0.86 3.07 -1.94 0.60 114.58 116.24 1h38 h GLU 112 Ca 0.56 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.42 1h38 h GLU 112 Cb 1.13 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 29.05 1h38 h GLU 112 CO -0.67 -0.15 0.53 0.00 -1.40 0.00 0.00 179.01 177.31 1h38 h ALA 113 N 0.83 1.14 0.42 3.43 0.00 -1.49 -1.99 119.26 121.59 1h38 h ALA 113 Ca 0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1h38 h ALA 113 Cb 0.47 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1h38 h ALA 113 CO -0.43 0.61 -0.51 0.28 0.00 0.00 0.00 179.25 179.20 1h38 h VAL 114 N 1.23 0.01 -0.18 0.00 2.07 -0.34 0.45 116.25 119.50 1h38 h VAL 114 Ca 0.32 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.89 1h38 h VAL 114 Cb -0.03 0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 29.68 1h38 h VAL 114 CO -0.06 0.00 -0.35 0.00 0.02 0.00 0.00 177.57 177.18 1h38 h ALA 115 N -0.79 -0.40 0.52 1.67 0.00 -0.80 -2.13 119.26 117.33 1h38 h ALA 115 Ca -0.05 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1h38 h ALA 115 Cb 0.85 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1h38 h ALA 115 CO -0.12 -0.82 -0.39 -0.92 0.00 0.00 0.00 179.25 177.00 1h38 h TYR 116 N -0.40 -1.06 -0.86 0.00 3.20 -1.18 -2.25 116.97 114.43 1h38 h TYR 116 Ca 0.10 -0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.19 1h38 h TYR 116 Cb 0.57 0.40 -0.14 0.00 1.54 0.00 0.00 36.73 39.09 1h38 h TYR 116 CO -0.45 -0.57 0.17 0.82 -1.64 0.00 0.00 178.16 176.49 1h38 h ILE 117 N -0.89 0.30 0.61 1.81 2.04 0.08 -0.04 117.51 121.43 1h38 h ILE 117 Ca -0.06 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 1h38 h ILE 117 Cb 0.76 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1h38 h ILE 117 CO 0.01 0.03 -0.45 0.74 0.00 0.00 0.00 178.15 178.48 1h38 h THR 118 N 0.17 0.11 -0.30 -0.27 2.02 -1.11 -1.32 112.91 112.20 1h38 h THR 118 Ca 0.52 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.77 1h38 h THR 118 Cb 1.03 0.11 -0.08 0.00 -1.74 0.00 0.00 68.15 67.47 1h38 h THR 118 CO -0.67 0.00 -0.27 0.40 0.37 0.00 0.00 175.52 175.34 1h38 h ILE 119 N -1.02 0.33 0.61 3.11 1.08 -0.47 -0.80 117.51 120.34 1h38 h ILE 119 Ca -0.07 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.37 1h38 h ILE 119 Cb 0.85 0.33 0.01 0.00 -3.07 0.00 0.00 36.82 34.93 1h38 h ILE 119 CO 0.03 0.00 -0.29 0.50 -0.69 0.00 0.00 178.15 177.70 1h38 h LYS 120 N -0.25 -0.78 -0.40 2.37 3.11 -1.16 -2.77 116.57 116.69 1h38 h LYS 120 Ca 0.15 0.05 0.06 0.00 -2.81 0.00 0.00 60.65 58.10 1h38 h LYS 120 Cb 0.49 0.18 -0.02 0.00 -1.00 0.00 0.00 32.23 31.88 1h38 h LYS 120 CO -0.45 -0.48 0.27 1.15 -2.81 0.00 0.00 179.45 177.14 1h38 h THR 121 N -0.94 0.96 0.86 1.00 2.02 -1.14 -2.04 112.91 113.62 1h38 h THR 121 Ca -0.08 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 66.95 1h38 h THR 121 Cb 0.66 0.62 0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1h38 h THR 121 CO 0.14 0.06 -0.41 0.74 0.37 0.00 0.00 175.52 176.41 1h38 h THR 122 N 0.30 0.04 -0.95 3.16 2.02 -1.07 -2.69 112.91 113.73 1h38 h THR 122 Ca 0.18 -0.13 0.26 0.00 0.77 0.00 0.00 66.41 67.49 1h38 h THR 122 Cb 0.31 0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 66.73 1h38 h THR 122 CO -0.04 0.00 0.67 -0.07 0.37 0.00 0.00 175.52 176.45 1h38 h LEU 123 N -1.28 0.11 -0.43 2.58 3.38 -1.16 0.24 115.31 118.75 1h38 h LEU 123 Ca -0.12 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 1h38 h LEU 123 Cb 0.89 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1h38 h LEU 123 CO 0.19 0.03 -0.13 0.00 0.09 0.00 0.00 178.44 178.62 1h38 h ALA 124 N 1.55 0.60 -0.08 1.53 0.00 -1.21 -2.43 119.26 119.21 1h38 h ALA 124 Ca 0.47 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1h38 h ALA 124 Cb 1.68 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1h38 h ALA 124 CO -0.06 0.51 -0.18 0.00 0.00 0.00 0.00 179.25 179.52 1h38 h LEU 126 N -0.21 0.00 -3.31 0.00 3.38 -1.00 0.12 115.31 114.30 1h38 h LEU 126 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 1h38 h LEU 126 Cb 0.77 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.35 1h38 h LEU 126 CO 0.04 0.00 0.43 0.35 0.09 0.00 0.00 178.44 179.34 1h38 n THR 127 N -4.22 2.52 -3.95 0.22 -2.24 -0.92 -4.88 114.28 100.81 1h38 n THR 127 Ca -0.01 -1.40 -0.34 0.00 -2.27 0.00 0.00 64.05 60.02 1h38 n THR 127 Cb 0.16 -0.93 -0.06 0.00 -2.10 0.00 0.00 70.33 67.40 1h38 n THR 127 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1h38 s SER 128 N -0.26 6.20 0.17 3.42 1.04 0.43 -4.79 113.70 119.91 1h38 s SER 128 Ca 0.34 0.32 -0.28 0.00 0.48 0.00 0.00 55.95 56.82 1h38 s SER 128 Cb 0.28 -1.92 0.00 0.00 0.10 0.00 0.00 66.02 64.48 1h38 s SER 128 CO 0.04 0.29 1.55 0.00 0.98 0.00 0.00 173.24 176.10 1h38 h ALA 129 N 4.11 -0.41 0.00 5.32 0.00 -1.90 -3.42 119.26 122.97 1h38 h ALA 129 Ca -0.50 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1h38 h ALA 129 Cb 1.19 1.19 0.00 0.00 0.00 0.00 0.00 17.79 20.18 1h38 h ALA 129 CO 0.65 -0.89 0.00 -0.25 0.00 0.00 0.00 179.25 178.76 1h38 n ASP 130 N -5.34 0.36 -4.66 0.00 10.43 -1.26 -5.06 116.55 111.02 1h38 n ASP 130 Ca 0.03 0.28 -0.46 0.00 2.57 0.00 0.00 54.79 57.21 1h38 n ASP 130 Cb 0.32 0.05 -0.04 0.00 1.84 0.00 0.00 41.12 43.29 1h38 n ASP 130 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1h38 n ASN 131 N -3.34 3.62 -0.38 -2.24 2.85 -1.26 -4.78 115.26 109.73 1h38 n ASN 131 Ca 0.00 0.85 0.00 0.00 -0.11 0.00 0.00 54.58 55.32 1h38 n ASN 131 Cb 0.00 -1.44 0.00 0.00 1.24 0.00 0.00 39.78 39.58 1h38 n ASN 131 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1h38 n THR 132 N 5.64 0.00 -1.72 -0.44 -2.24 -1.26 -4.78 114.28 109.48 1h38 n THR 132 Ca 0.23 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.59 1h38 n THR 132 Cb 0.34 0.55 -0.01 0.00 -2.10 0.00 0.00 70.33 69.11 1h38 n THR 132 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1h38 n THR 133 N 0.00 1.50 0.22 4.28 -2.24 -1.26 -1.63 114.28 115.14 1h38 n THR 133 Ca 0.00 -0.37 0.02 0.00 -2.27 0.00 0.00 64.05 61.43 1h38 n THR 133 Cb 0.64 -1.74 0.12 0.00 -2.10 0.00 0.00 70.33 67.24 1h38 n THR 133 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1h38 n VAL 134 N 1.20 0.95 -0.07 2.28 3.14 -1.04 -2.09 118.33 122.70 1h38 n VAL 134 Ca 0.07 0.24 -0.11 0.00 -2.96 0.00 0.00 64.34 61.58 1h38 n VAL 134 Cb 0.36 -1.16 -0.07 0.00 -1.06 0.00 0.00 33.84 31.90 1h38 n VAL 134 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 1h38 h GLN 135 N 0.00 0.00 -0.32 1.45 5.75 -1.89 -3.12 115.11 116.98 1h38 h GLN 135 Ca 0.00 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.45 1h38 h GLN 135 Cb 0.04 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 1h38 h GLN 135 CO 0.00 0.57 0.01 0.00 -2.65 0.00 0.00 178.83 176.75 1h38 h ALA 136 N -0.55 0.43 -0.19 3.38 0.00 -1.85 -2.86 119.26 117.62 1h38 h ALA 136 Ca -0.09 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.62 1h38 h ALA 136 Cb 0.73 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1h38 h ALA 136 CO -0.05 0.18 -0.02 0.28 0.00 0.00 0.00 179.25 179.64 1h38 h VAL 137 N 0.37 0.85 -0.99 0.00 2.07 -1.61 -0.72 116.25 116.21 1h38 h VAL 137 Ca 0.09 -0.01 0.12 0.00 0.82 0.00 0.00 66.70 67.72 1h38 h VAL 137 Cb 0.43 0.80 -0.09 0.00 -1.52 0.00 0.00 31.29 30.92 1h38 h VAL 137 CO 0.02 0.01 0.62 0.00 0.02 0.00 0.00 177.57 178.23 1h38 h ALA 138 N 1.17 1.50 -0.19 1.67 0.00 -1.51 -0.80 119.26 121.10 1h38 h ALA 138 Ca 0.09 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1h38 h ALA 138 Cb 0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1h38 h ALA 138 CO -0.17 0.20 0.03 0.66 0.00 0.00 0.00 179.25 179.98 1h38 h SER 139 N 0.97 0.30 0.17 0.00 4.64 -1.16 -2.25 113.55 116.22 1h38 h SER 139 Ca 0.49 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1h38 h SER 139 Cb 0.50 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.48 1h38 h SER 139 CO -0.27 0.48 -0.37 0.00 -0.87 0.00 0.00 176.83 175.80 1h38 h ALA 140 N 0.83 -0.93 -0.61 5.18 0.00 -0.01 0.40 119.26 124.12 1h38 h ALA 140 Ca 0.06 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 54.99 1h38 h ALA 140 Cb 0.31 0.72 -0.12 0.00 0.00 0.00 0.00 17.79 18.70 1h38 h ALA 140 CO 0.00 -1.00 -0.19 0.82 0.00 0.00 0.00 179.25 178.89 1h38 h ILE 141 N -0.60 0.33 -0.19 0.00 2.04 -1.23 0.20 117.51 118.06 1h38 h ILE 141 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1h38 h ILE 141 Cb 0.57 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1h38 h ILE 141 CO -0.15 0.00 0.12 1.23 0.00 0.00 0.00 178.15 179.35 1h38 h GLY 142 N -0.04 0.27 0.79 5.37 0.00 -1.00 0.12 103.07 108.58 1h38 h GLY 142 Ca 0.29 -0.11 0.08 0.00 0.00 0.00 0.00 47.33 47.59 1h38 h GLY 142 CO -0.65 0.10 0.57 -0.09 0.00 0.00 0.00 176.54 176.48 1h38 h ARG 143 N 0.24 0.90 -0.08 4.80 9.65 0.78 -0.99 114.38 129.68 1h38 h ARG 143 Ca 0.07 -0.05 -0.19 0.00 -1.10 0.00 0.00 59.98 58.71 1h38 h ARG 143 Cb -0.00 -0.20 -0.00 0.00 -1.39 0.00 0.00 29.97 28.37 1h38 h ARG 143 CO -0.01 0.60 -0.73 0.00 2.80 0.00 0.00 179.97 182.62 1h38 h ALA 144 N 1.54 0.58 -0.04 2.80 0.00 -0.45 -2.81 119.26 120.88 1h38 h ALA 144 Ca 0.40 -0.61 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1h38 h ALA 144 Cb 0.32 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1h38 h ALA 144 CO -0.16 0.76 -0.39 0.82 0.00 0.00 0.00 179.25 180.27 1h38 h ILE 145 N 0.29 1.29 -0.08 0.00 1.08 0.23 -2.87 117.51 117.46 1h38 h ILE 145 Ca -0.03 -1.40 -0.03 0.00 -0.39 0.00 0.00 64.86 63.00 1h38 h ILE 145 Cb 1.31 1.71 -0.00 0.00 -3.07 0.00 0.00 36.82 36.76 1h38 h ILE 145 CO 0.13 0.41 -0.07 -0.08 -0.69 0.00 0.00 178.15 177.84 1h38 h GLU 146 N 0.07 0.20 -0.64 2.37 4.81 -1.11 -2.08 114.58 118.20 1h38 h GLU 146 Ca 0.01 -0.10 0.12 0.00 -0.13 0.00 0.00 59.36 59.26 1h38 h GLU 146 Cb 0.73 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.02 1h38 h GLU 146 CO 0.05 0.61 0.14 -0.44 -0.73 0.00 0.00 179.01 178.65 1h38 h ASP 147 N -0.22 0.01 -0.42 1.04 3.32 -1.42 0.71 116.42 119.45 1h38 h ASP 147 Ca 0.01 0.12 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 1h38 h ASP 147 Cb 0.57 0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 1h38 h ASP 147 CO 0.02 0.00 0.07 -0.08 -1.72 0.00 0.00 179.24 177.53 1h38 h GLU 148 N 0.27 0.70 -0.41 3.56 4.57 -1.46 -0.96 114.58 120.85 1h38 h GLU 148 Ca 0.34 -0.19 -0.13 0.00 -1.18 0.00 0.00 59.36 58.21 1h38 h GLU 148 Cb 0.53 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 1h38 h GLU 148 CO -0.43 0.73 -0.26 0.00 -1.18 0.00 0.00 179.01 177.87 1h38 h ALA 149 N 0.94 0.76 0.36 2.92 0.00 -0.76 0.13 119.26 123.61 1h38 h ALA 149 Ca 0.13 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1h38 h ALA 149 Cb 0.37 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1h38 h ALA 149 CO 0.01 0.66 -0.17 -0.09 0.00 0.00 0.00 179.25 179.65 1h38 h ARG 150 N 0.74 -0.47 0.00 0.00 2.43 -0.79 -3.11 114.38 113.17 1h38 h ARG 150 Ca 0.09 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1h38 h ARG 150 Cb 0.81 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1h38 h ARG 150 CO 0.07 -0.31 0.00 0.74 -1.51 0.00 0.00 179.97 178.95 1h38 h PHE 151 N -0.70 0.00 -0.14 2.20 0.04 -1.30 -3.05 116.94 113.99 1h38 h PHE 151 Ca -0.05 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.62 1h38 h PHE 151 Cb 0.37 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 1h38 h PHE 151 CO 0.06 0.00 -0.35 0.78 -0.60 0.00 0.00 178.31 178.20 1h38 h GLY 152 N 4.26 0.30 0.23 -1.45 0.00 -0.84 -2.43 103.07 103.15 1h38 h GLY 152 Ca 0.00 -0.27 0.21 0.00 0.00 0.00 0.00 47.33 47.27 1h38 h GLY 152 CO 0.00 0.24 0.61 -0.09 0.00 0.00 0.00 176.54 177.31 1h38 h ARG 153 N 0.24 0.42 0.27 4.80 2.43 -1.46 -0.54 114.38 120.55 1h38 h ARG 153 Ca 0.03 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1h38 h ARG 153 Cb 0.74 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1h38 h ARG 153 CO 0.06 0.28 -0.13 0.82 -1.51 0.00 0.00 179.97 179.48 1h38 h ILE 154 N 0.43 0.77 0.00 1.20 2.04 -1.59 -0.85 117.51 119.51 1h38 h ILE 154 Ca 0.49 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1h38 h ILE 154 Cb 1.20 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 1h38 h ILE 154 CO -0.20 0.11 0.00 -1.14 0.00 0.00 0.00 178.15 176.92 1h38 n ARG 155 N -5.13 0.13 0.00 2.37 0.00 -0.32 -0.79 116.66 112.93 1h38 n ARG 155 Ca -0.09 0.19 0.00 0.00 -0.00 0.00 0.00 57.85 57.94 1h38 n ARG 155 Cb 0.24 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.20 1h38 n ARG 155 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1h38 n ASP 156 N -1.26 0.00 0.00 6.15 8.00 -0.57 -4.83 116.55 124.04 1h38 n ASP 156 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1h38 n ASP 156 Cb 0.06 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 1h38 n ASP 156 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1h38 n LEU 157 N -2.21 0.30 -0.16 0.64 7.94 -0.35 -4.17 117.00 118.99 1h38 n LEU 157 Ca 0.00 0.07 -0.04 0.00 -1.11 0.00 0.00 56.01 54.93 1h38 n LEU 157 Cb 0.00 -0.29 -0.04 0.00 0.53 0.00 0.00 43.42 43.63 1h38 n LEU 157 CO 0.00 -0.29 0.33 -0.62 -1.11 0.00 0.00 177.39 175.70 1h38 n GLU 158 N -1.91 -0.16 -1.11 1.96 1.02 -1.19 0.30 120.64 119.54 1h38 n GLU 158 Ca 0.00 0.87 -0.26 0.00 -0.02 0.00 0.00 57.16 57.75 1h38 n GLU 158 Cb 0.00 -1.28 0.07 0.00 -0.02 0.00 0.00 31.44 30.21 1h38 n GLU 158 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1h38 n ALA 159 N -3.13 5.69 -0.27 0.62 0.00 0.03 -4.69 120.51 118.77 1h38 n ALA 159 Ca 0.01 -2.61 0.21 0.00 0.00 0.00 0.00 53.44 51.05 1h38 n ALA 159 Cb 0.10 -1.57 0.39 0.00 0.00 0.00 0.00 19.45 18.37 1h38 n ALA 159 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1h38 n LYS 160 N -0.40 -0.06 0.00 0.00 4.81 0.15 -0.38 118.16 122.28 1h38 n LYS 160 Ca 0.48 1.17 0.00 0.00 -0.87 0.00 0.00 58.31 59.09 1h38 n LYS 160 Cb 0.71 -2.01 0.00 0.00 0.02 0.00 0.00 35.03 33.75 1h38 n LYS 160 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1h38 n HIS 161 N -4.98 0.00 0.12 5.64 8.25 -1.26 -4.67 115.22 118.31 1h38 n HIS 161 Ca 0.27 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.92 1h38 n HIS 161 Cb 0.90 0.00 0.77 0.00 1.12 0.00 0.00 29.99 32.78 1h38 n HIS 161 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1h38 h PHE 162 N 0.00 0.00 -0.41 4.41 3.57 -1.77 -0.98 116.94 121.76 1h38 h PHE 162 Ca 0.00 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.62 1h38 h PHE 162 Cb 0.92 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 1h38 h PHE 162 CO 0.00 0.00 0.57 -0.22 -2.23 0.00 0.00 178.31 176.43 1h38 h LYS 163 N 0.00 0.00 -0.21 1.11 1.63 -0.99 -0.82 116.57 117.29 1h38 h LYS 163 Ca 0.16 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.98 1h38 h LYS 163 Cb 0.88 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.49 1h38 h LYS 163 CO -0.00 0.00 0.09 0.87 -3.45 0.00 0.00 179.45 176.96 1h38 h LYS 164 N 0.00 0.19 0.00 1.90 1.79 -1.43 0.32 116.57 119.35 1h38 h LYS 164 Ca 0.19 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 1h38 h LYS 164 Cb 1.32 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 1h38 h LYS 164 CO -0.00 0.13 0.00 0.09 -1.08 0.00 0.00 179.45 178.58 1h38 n ASN 165 N -5.02 0.00 -0.04 0.86 4.13 -0.31 -3.58 115.26 111.30 1h38 n ASN 165 Ca -0.03 -0.55 -0.04 0.00 1.68 0.00 0.00 54.58 55.64 1h38 n ASN 165 Cb 0.07 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.29 1h38 n ASN 165 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1h38 n VAL 166 N -1.00 0.90 -0.18 2.41 0.31 -0.09 -4.59 118.33 116.09 1h38 n VAL 166 Ca 0.13 0.27 -0.05 0.00 -0.01 0.00 0.00 64.34 64.68 1h38 n VAL 166 Cb 0.06 -1.88 -0.04 0.00 -0.91 0.00 0.00 33.84 31.06 1h38 n VAL 166 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1h38 n GLU 167 N -3.59 -0.19 -0.35 5.55 1.02 0.95 0.09 120.64 124.12 1h38 n GLU 167 Ca -0.07 1.02 -0.00 0.00 -0.02 0.00 0.00 57.16 58.09 1h38 n GLU 167 Cb 0.25 -1.51 0.05 0.00 -0.02 0.00 0.00 31.44 30.22 1h38 n GLU 167 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1h38 h GLU 168 N 0.00 -0.02 0.00 3.49 5.08 -1.83 0.29 114.58 121.59 1h38 h GLU 168 Ca 0.07 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 1h38 h GLU 168 Cb 0.18 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1h38 h GLU 168 CO -0.41 -0.02 -0.42 1.96 -1.00 0.00 0.00 179.01 179.12 1h38 h GLN 169 N -0.03 0.00 0.03 2.33 4.20 -1.06 -2.30 115.11 118.29 1h38 h GLN 169 Ca 0.35 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.06 1h38 h GLN 169 Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1h38 h GLN 169 CO -0.94 0.42 -0.02 1.25 -0.67 0.00 0.00 178.83 178.87 1h38 h LEU 170 N 0.00 -0.04 -0.71 1.46 6.46 0.29 -2.62 115.31 120.15 1h38 h LEU 170 Ca -0.00 -0.53 0.01 0.00 -0.12 0.00 0.00 57.88 57.23 1h38 h LEU 170 Cb 1.06 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.96 1h38 h LEU 170 CO 0.05 0.53 0.47 0.78 -0.62 0.00 0.00 178.44 179.65 1h38 h ASN 171 N -0.62 0.81 -0.46 1.25 -0.26 -0.65 -1.23 115.58 114.41 1h38 h ASN 171 Ca -0.00 -0.02 0.11 0.00 -0.56 0.00 0.00 56.30 55.83 1h38 h ASN 171 Cb 0.57 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.60 1h38 h ASN 171 CO 0.01 0.59 0.32 0.11 -1.06 0.00 0.00 177.43 177.40 1h38 h LYS 172 N 0.96 0.11 -6.60 0.81 1.79 -1.43 -3.40 116.57 108.81 1h38 h LYS 172 Ca 0.26 -0.01 -0.52 0.00 -2.18 0.00 0.00 60.65 58.20 1h38 h LYS 172 Cb -0.11 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.51 1h38 h LYS 172 CO -0.06 0.07 0.46 1.03 -1.08 0.00 0.00 179.45 179.87 1h38 s ARG 173 N -5.13 4.59 0.02 3.15 1.81 -0.47 -5.05 118.95 117.88 1h38 s ARG 173 Ca -0.06 1.65 0.07 0.00 -1.72 0.00 0.00 55.73 55.68 1h38 s ARG 173 Cb 0.19 -3.32 -0.02 0.00 -0.45 0.00 0.00 34.95 31.35 1h38 s ARG 173 CO 0.73 0.05 -0.22 0.08 -0.68 0.00 0.00 175.30 175.25 1h38 s VAL 174 N 0.08 1.75 0.00 3.52 1.01 -1.26 -4.86 120.40 120.63 1h38 s VAL 174 Ca 0.50 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1h38 s VAL 174 Cb -0.28 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1h38 s VAL 174 CO 0.33 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.35 1h38 n GLY 175 N 2.06 -0.07 0.34 4.51 0.00 -1.26 -4.53 105.19 106.24 1h38 n GLY 175 Ca -0.17 -1.14 0.21 0.00 0.00 0.00 0.00 46.02 44.92 1h38 n GLY 175 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1h38 h HIS 176 N 0.00 0.97 0.15 1.61 -0.00 -1.94 -1.78 115.15 114.17 1h38 h HIS 176 Ca 0.00 0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.41 1h38 h HIS 176 Cb 0.00 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.13 1h38 h HIS 176 CO 0.00 -0.05 -0.24 0.28 -0.00 0.00 0.00 177.93 177.91 1h38 h VAL 177 N 0.45 0.00 -0.19 5.26 2.07 -1.91 -2.38 116.25 119.56 1h38 h VAL 177 Ca 0.69 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 68.17 1h38 h VAL 177 Cb 1.45 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1h38 h VAL 177 CO -0.54 0.00 -0.06 1.88 0.02 0.00 0.00 177.57 178.87 1h38 h TYR 178 N -0.42 0.30 0.00 1.57 0.99 -1.69 -1.44 116.97 116.28 1h38 h TYR 178 Ca -0.02 -0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.67 1h38 h TYR 178 Cb 0.39 -0.09 -0.00 0.00 1.00 0.00 0.00 36.73 38.03 1h38 h TYR 178 CO -0.26 0.36 -0.07 0.87 -0.00 0.00 0.00 178.16 179.06 1h38 h LYS 179 N 0.28 0.00 0.23 4.88 1.57 -1.23 -2.00 116.57 120.30 1h38 h LYS 179 Ca 0.06 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.52 1h38 h LYS 179 Cb 0.29 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.63 1h38 h LYS 179 CO 0.01 0.07 -1.48 -0.22 -0.57 0.00 0.00 179.45 177.27 1h38 h LYS 180 N 0.00 0.48 -0.46 3.15 3.64 -0.74 -2.97 116.57 119.67 1h38 h LYS 180 Ca -0.00 -0.82 0.04 0.00 -1.27 0.00 0.00 60.65 58.60 1h38 h LYS 180 Cb 0.39 0.30 -0.04 0.00 -0.41 0.00 0.00 32.23 32.48 1h38 h LYS 180 CO 0.01 1.39 0.23 0.00 -2.27 0.00 0.00 179.45 178.81 1h38 h ALA 181 N 0.13 0.58 -0.46 5.00 0.00 -1.02 -0.04 119.26 123.43 1h38 h ALA 181 Ca -0.27 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 1h38 h ALA 181 Cb 2.09 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 1h38 h ALA 181 CO 0.23 -0.13 -0.13 0.35 0.00 0.00 0.00 179.25 179.58 1h38 h PHE 182 N 0.45 1.03 0.00 0.00 3.57 -1.49 -2.01 116.94 118.48 1h38 h PHE 182 Ca 0.20 -0.23 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 1h38 h PHE 182 Cb 0.11 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.60 1h38 h PHE 182 CO -0.11 1.00 -0.14 0.52 -2.23 0.00 0.00 178.31 177.36 1h38 h MET 183 N 0.75 0.00 0.02 1.11 2.86 -1.29 -0.78 114.93 117.60 1h38 h MET 183 Ca 0.12 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1h38 h MET 183 Cb 0.68 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.34 1h38 h MET 183 CO 0.05 0.14 -0.01 1.96 1.06 0.00 0.00 176.91 180.11 1h38 h GLN 184 N 0.00 -0.03 -0.79 1.72 4.20 -0.70 -2.38 115.11 117.13 1h38 h GLN 184 Ca -0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 1h38 h GLN 184 Cb 0.43 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.18 1h38 h GLN 184 CO 0.02 0.66 0.51 -0.39 -0.67 0.00 0.00 178.83 178.96 1h38 h VAL 185 N -0.76 1.16 0.07 -0.54 -1.51 -1.22 0.12 116.25 113.58 1h38 h VAL 185 Ca -0.00 -0.35 0.01 0.00 -1.23 0.00 0.00 66.70 65.12 1h38 h VAL 185 Cb 0.70 0.04 -0.02 0.00 -2.13 0.00 0.00 31.29 29.89 1h38 h VAL 185 CO 0.00 0.19 -0.11 0.58 -1.23 0.00 0.00 177.57 177.00 1h38 h VAL 186 N 1.03 0.73 -0.64 7.19 2.07 -1.21 -1.08 116.25 124.34 1h38 h VAL 186 Ca 0.30 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.83 1h38 h VAL 186 Cb -0.06 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1h38 h VAL 186 CO -0.09 0.00 0.43 -0.08 0.02 0.00 0.00 177.57 177.85 1h38 h GLU 187 N -0.23 0.85 0.00 1.57 4.81 -1.00 0.34 114.58 120.92 1h38 h GLU 187 Ca 0.02 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1h38 h GLU 187 Cb 0.24 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 1h38 h GLU 187 CO -0.06 0.56 -0.16 0.00 -0.73 0.00 0.00 179.01 178.62 1h38 h ALA 188 N 1.60 1.43 0.00 2.92 0.00 -0.31 -2.08 119.26 122.82 1h38 h ALA 188 Ca 0.24 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1h38 h ALA 188 Cb -0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1h38 h ALA 188 CO -0.05 0.20 -0.55 0.22 0.00 0.00 0.00 179.25 179.07 1h38 h ASP 189 N 0.00 0.00 -0.95 0.00 -0.00 0.20 -3.16 116.42 112.51 1h38 h ASP 189 Ca -0.00 -0.29 0.24 0.00 -0.00 0.00 0.00 57.03 56.98 1h38 h ASP 189 Cb 0.36 0.00 -0.13 0.00 -0.00 0.00 0.00 39.33 39.56 1h38 h ASP 189 CO 0.02 0.95 0.49 0.24 -0.00 0.00 0.00 179.24 180.94 1h38 h MET 190 N -1.00 0.45 -0.12 0.28 2.86 -0.41 0.46 114.93 117.46 1h38 h MET 190 Ca -0.10 -0.03 -0.14 0.00 -2.06 0.00 0.00 59.70 57.37 1h38 h MET 190 Cb 0.71 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 1h38 h MET 190 CO -0.06 0.30 -0.53 -0.07 1.06 0.00 0.00 176.91 177.60 1h38 h LEU 191 N 0.46 0.37 -0.33 1.22 3.38 -1.50 0.68 115.31 119.59 1h38 h LEU 191 Ca 0.61 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1h38 h LEU 191 Cb 1.18 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1h38 h LEU 191 CO -0.51 0.84 0.00 -0.24 0.09 0.00 0.00 178.44 178.61 1h38 n SER 192 N -3.94 0.33 0.00 -0.43 2.88 0.15 -4.60 113.62 108.01 1h38 n SER 192 Ca -0.02 0.58 0.00 0.00 -1.33 0.00 0.00 58.87 58.10 1h38 n SER 192 Cb 0.58 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 1h38 n SER 192 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1h38 n LYS 193 N -1.86 0.00 0.00 -1.46 5.02 -0.41 -5.07 118.16 114.38 1h38 n LYS 193 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1h38 n LYS 193 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.21 1h38 n LYS 193 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1h38 n GLY 194 N 1.03 -2.79 3.65 0.72 0.00 0.23 -4.76 105.19 103.27 1h38 n GLY 194 Ca 0.00 -0.63 -0.50 0.00 0.00 0.00 0.00 46.02 44.88 1h38 n GLY 194 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1h38 n LEU 195 N 0.00 2.50 -4.91 0.99 0.00 -1.21 -4.73 117.00 109.63 1h38 n LEU 195 Ca 0.00 1.08 -0.32 0.00 0.00 0.00 0.00 56.01 56.77 1h38 n LEU 195 Cb 0.00 -1.29 -0.04 0.00 0.00 0.00 0.00 43.42 42.09 1h38 n LEU 195 CO 0.00 -0.56 -0.15 -0.76 0.00 0.00 0.00 177.39 175.93 1h38 s LEU 196 N 1.64 4.36 0.00 -1.96 1.43 -1.26 -3.99 118.68 118.91 1h38 s LEU 196 Ca 0.86 0.30 0.00 0.00 -1.03 0.00 0.00 54.13 54.26 1h38 s LEU 196 Cb -0.85 -2.87 0.00 0.00 0.03 0.00 0.00 46.19 42.50 1h38 s LEU 196 CO 0.48 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.86 1h38 n GLY 197 N 0.48 -0.59 0.00 -3.19 0.00 -1.26 -5.13 105.19 95.50 1h38 n GLY 197 Ca -0.07 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1h38 n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h38 n GLY 198 N 0.00 0.47 0.00 -0.02 0.00 -1.26 -5.09 105.19 99.29 1h38 n GLY 198 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1h38 n GLY 198 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1h38 n GLU 199 N 0.00 0.00 -0.11 1.61 4.07 -1.26 -5.07 120.64 119.88 1h38 n GLU 199 Ca 0.00 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 57.08 1h38 n GLU 199 Cb 0.00 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.37 1h38 n GLU 199 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1h38 n ALA 200 N 0.00 1.59 0.00 4.31 0.00 -1.26 -2.87 120.51 122.29 1h38 n ALA 200 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1h38 n ALA 200 Cb 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.06 1h38 n ALA 200 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1h38 n TRP 201 N 3.72 0.00 0.26 0.00 7.02 -1.26 -4.60 117.44 122.58 1h38 n TRP 201 Ca 0.06 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.67 1h38 n TRP 201 Cb 0.06 0.00 0.69 0.00 -2.42 0.00 0.00 31.31 29.64 1h38 n TRP 201 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1h38 h SER 202 N 0.00 0.00 0.66 -0.99 0.87 -2.00 0.12 113.55 112.21 1h38 h SER 202 Ca 0.00 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 1h38 h SER 202 Cb 0.10 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 1h38 h SER 202 CO 0.00 0.13 -0.50 0.77 -0.53 0.00 0.00 176.83 176.70 1h38 h SER 203 N 0.00 0.00 -0.04 6.23 4.64 -1.83 -3.38 113.55 119.17 1h38 h SER 203 Ca -0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 1h38 h SER 203 Cb 0.42 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.61 1h38 h SER 203 CO 0.02 0.50 1.42 0.79 -0.87 0.00 0.00 176.83 178.69 1h38 n TRP 204 N -3.75 0.76 -1.05 4.77 7.02 0.03 -4.89 117.44 120.34 1h38 n TRP 204 Ca -0.01 -0.85 -0.32 0.00 -1.02 0.00 0.00 57.50 55.29 1h38 n TRP 204 Cb 0.55 -1.34 0.13 0.00 -2.42 0.00 0.00 31.31 28.23 1h38 n TRP 204 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 1h38 s HIS 205 N 8.05 1.88 0.06 -5.99 2.46 -1.26 -4.73 115.29 115.75 1h38 s HIS 205 Ca 0.68 1.69 0.15 0.00 0.47 0.00 0.00 55.06 58.05 1h38 s HIS 205 Cb 0.11 -3.38 0.80 0.00 -0.13 0.00 0.00 32.58 29.99 1h38 s HIS 205 CO 0.26 -2.65 1.36 1.57 -2.47 0.00 0.00 174.74 172.81 1h38 h LYS 206 N -1.16 0.00 0.63 2.88 -0.00 -1.96 -1.41 116.57 115.55 1h38 h LYS 206 Ca -0.45 0.00 -0.03 0.00 -0.00 0.00 0.00 60.65 60.17 1h38 h LYS 206 Cb 1.28 0.00 0.01 0.00 -0.00 0.00 0.00 32.23 33.51 1h38 h LYS 206 CO 0.46 0.00 -0.30 0.93 -0.00 0.00 0.00 179.45 180.53 1h38 h GLU 207 N 0.00 -0.81 -0.75 0.07 4.39 -1.95 -2.53 114.58 112.98 1h38 h GLU 207 Ca 0.00 0.06 0.11 0.00 0.34 0.00 0.00 59.36 59.86 1h38 h GLU 207 Cb 0.58 0.19 -0.08 0.00 -0.10 0.00 0.00 28.75 29.33 1h38 h GLU 207 CO 0.00 -0.54 0.38 -0.44 -1.16 0.00 0.00 179.01 177.24 1h38 h ASP 208 N -1.11 0.48 -0.18 1.42 3.32 -1.59 -1.74 116.42 117.02 1h38 h ASP 208 Ca -0.09 0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.08 1h38 h ASP 208 Cb 0.65 -0.01 -0.07 0.00 0.22 0.00 0.00 39.33 40.12 1h38 h ASP 208 CO 0.14 0.25 -0.45 0.28 -1.72 0.00 0.00 179.24 177.75 1h38 h SER 209 N 0.61 -1.42 0.31 6.45 0.02 -1.51 0.08 113.55 118.09 1h38 h SER 209 Ca 0.38 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.52 1h38 h SER 209 Cb 0.44 0.58 -0.03 0.00 0.14 0.00 0.00 62.40 63.53 1h38 h SER 209 CO -0.30 -0.43 -0.47 0.40 -1.14 0.00 0.00 176.83 174.90 1h38 h ILE 210 N -0.48 0.09 -0.92 3.27 1.08 -0.95 -1.21 117.51 118.38 1h38 h ILE 210 Ca 0.08 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 64.77 1h38 h ILE 210 Cb 0.63 0.09 -0.17 0.00 -3.07 0.00 0.00 36.82 34.30 1h38 h ILE 210 CO -0.44 0.00 -0.05 0.45 -0.69 0.00 0.00 178.15 177.42 1h38 h HIS 211 N -0.83 -0.17 0.73 1.37 3.86 -0.97 0.29 115.15 119.43 1h38 h HIS 211 Ca -0.02 0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.23 1h38 h HIS 211 Cb 0.77 0.22 0.00 0.00 1.06 0.00 0.00 27.41 29.47 1h38 h HIS 211 CO -0.32 -0.38 -0.41 0.28 0.86 0.00 0.00 177.93 177.96 1h38 h VAL 212 N 0.03 0.00 -0.81 2.45 2.07 -0.46 -1.77 116.25 117.76 1h38 h VAL 212 Ca 0.52 0.00 0.19 0.00 0.82 0.00 0.00 66.70 68.23 1h38 h VAL 212 Cb 0.96 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.61 1h38 h VAL 212 CO -0.87 0.00 0.20 1.23 0.02 0.00 0.00 177.57 178.15 1h38 h GLY 213 N -1.06 1.18 1.01 2.17 0.00 0.26 -2.03 103.07 104.59 1h38 h GLY 213 Ca -0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 1h38 h GLY 213 CO 0.12 -0.28 -0.17 -2.08 0.00 0.00 0.00 176.54 174.14 1h38 h VAL 214 N 0.24 0.66 -0.84 4.60 2.07 -0.42 -1.84 116.25 120.73 1h38 h VAL 214 Ca 0.48 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 68.03 1h38 h VAL 214 Cb 0.89 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 1h38 h VAL 214 CO -0.59 0.00 0.55 -0.09 0.02 0.00 0.00 177.57 177.47 1h38 h ARG 215 N -0.46 1.02 -0.14 1.57 9.65 -0.64 -1.80 114.38 123.58 1h38 h ARG 215 Ca -0.05 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 58.75 1h38 h ARG 215 Cb 0.35 -0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 1h38 h ARG 215 CO 0.08 0.67 -0.00 0.00 2.80 0.00 0.00 179.97 183.52 1h38 h ILE 217 N -0.01 0.91 0.07 0.00 2.04 -0.92 0.33 117.51 119.94 1h38 h ILE 217 Ca 0.04 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 1h38 h ILE 217 Cb 0.38 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1h38 h ILE 217 CO 0.01 0.14 -0.03 -0.33 0.00 0.00 0.00 178.15 177.93 1h38 h GLU 218 N 0.77 -0.09 -0.52 2.37 5.08 -1.05 -0.27 114.58 120.86 1h38 h GLU 218 Ca 0.41 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.83 1h38 h GLU 218 Cb 0.53 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1h38 h GLU 218 CO -0.18 0.14 0.35 0.52 -1.00 0.00 0.00 179.01 178.84 1h38 h MET 219 N -0.31 0.48 -0.14 2.33 2.86 -0.29 0.23 114.93 120.08 1h38 h MET 219 Ca -0.01 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1h38 h MET 219 Cb 0.27 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1h38 h MET 219 CO 0.02 0.32 0.01 1.25 1.06 0.00 0.00 176.91 179.56 1h38 h LEU 220 N 0.49 0.24 -0.97 1.22 5.85 0.08 0.11 115.31 122.34 1h38 h LEU 220 Ca 0.22 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1h38 h LEU 220 Cb 0.26 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1h38 h LEU 220 CO -0.06 0.47 0.00 0.40 -0.34 0.00 0.00 178.44 178.91 1h38 h ILE 221 N 0.00 0.00 0.18 4.05 2.04 -0.52 -2.02 117.51 121.25 1h38 h ILE 221 Ca 0.04 -0.65 -0.27 0.00 1.00 0.00 0.00 64.86 64.98 1h38 h ILE 221 Cb 0.34 1.64 0.02 0.00 -0.74 0.00 0.00 36.82 38.09 1h38 h ILE 221 CO 0.01 0.00 -1.27 -0.08 0.00 0.00 0.00 178.15 176.80 1h38 h GLU 222 N 0.00 0.38 0.06 2.37 4.81 -0.20 -3.38 114.58 118.63 1h38 h GLU 222 Ca 0.00 -0.66 -0.28 0.00 -0.13 0.00 0.00 59.36 58.30 1h38 h GLU 222 Cb 0.66 0.24 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 1h38 h GLU 222 CO 0.00 1.31 -1.41 0.66 -0.73 0.00 0.00 179.01 178.84 1h38 h SER 223 N -0.13 0.21 -4.81 1.04 4.64 -0.82 -3.48 113.55 110.20 1h38 h SER 223 Ca -0.24 -0.28 -0.35 0.00 -0.47 0.00 0.00 61.79 60.45 1h38 h SER 223 Cb 1.90 -0.07 -0.14 0.00 -0.31 0.00 0.00 62.40 63.78 1h38 h SER 223 CO 0.18 1.24 -0.60 0.42 -0.87 0.00 0.00 176.83 177.20 1h38 s THR 224 N -2.64 0.37 -0.66 2.95 -4.23 -0.76 -4.84 115.64 105.83 1h38 s THR 224 Ca -0.05 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.49 1h38 s THR 224 Cb 0.08 -2.57 0.36 0.00 1.34 0.00 0.00 72.50 71.71 1h38 s THR 224 CO 0.84 0.00 1.31 0.61 -0.54 0.00 0.00 174.62 176.84 1h38 n GLY 225 N -0.46 5.82 0.12 3.99 0.00 -1.26 -3.92 105.19 109.48 1h38 n GLY 225 Ca 0.01 -2.70 -0.19 0.00 0.00 0.00 0.00 46.02 43.13 1h38 n GLY 225 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1h38 h MET 226 N 3.09 0.34 -4.81 1.61 -1.53 -1.90 -3.42 114.93 108.32 1h38 h MET 226 Ca 0.32 -0.58 -0.43 0.00 -3.44 0.00 0.00 59.70 55.56 1h38 h MET 226 Cb 0.52 0.22 -0.30 0.00 -0.55 0.00 0.00 31.60 31.49 1h38 h MET 226 CO 0.98 1.24 -0.79 0.14 0.14 0.00 0.00 176.91 178.62 1h38 s VAL 227 N -2.62 0.85 -0.12 -5.77 -7.23 -1.26 0.14 120.40 104.40 1h38 s VAL 227 Ca -0.09 -0.43 -0.11 0.00 -1.81 0.00 0.00 61.98 59.54 1h38 s VAL 227 Cb 0.06 -0.73 -0.05 0.00 0.56 0.00 0.00 36.38 36.22 1h38 s VAL 227 CO 0.88 0.25 0.24 -0.94 -0.31 0.00 0.00 175.10 175.22 1h38 s SER 228 N -0.06 6.47 -1.06 4.85 1.04 0.82 -4.72 113.70 121.05 1h38 s SER 228 Ca 0.01 0.55 -0.06 0.00 0.48 0.00 0.00 55.95 56.93 1h38 s SER 228 Cb -0.06 -2.14 0.28 0.00 0.10 0.00 0.00 66.02 64.19 1h38 s SER 228 CO 0.00 0.27 1.16 -0.11 0.98 0.00 0.00 173.24 175.54 1h38 n LEU 229 N 2.62 5.52 -4.88 2.42 7.94 -1.26 -1.31 117.00 128.06 1h38 n LEU 229 Ca -0.16 -5.12 -0.30 0.00 -1.11 0.00 0.00 56.01 49.31 1h38 n LEU 229 Cb 0.53 -1.33 -0.05 0.00 0.53 0.00 0.00 43.42 43.10 1h38 n LEU 229 CO 0.36 1.51 -0.18 -1.38 -1.11 0.00 0.00 177.39 176.59 1h38 s HIS 230 N -1.80 3.41 0.44 1.96 -3.43 -1.22 -4.94 115.29 109.71 1h38 s HIS 230 Ca 0.31 0.19 -0.22 0.00 -0.80 0.00 0.00 55.06 54.53 1h38 s HIS 230 Cb -0.04 -1.71 -0.09 0.00 -1.43 0.00 0.00 32.58 29.31 1h38 s HIS 230 CO -0.03 0.56 1.04 0.50 -2.00 0.00 0.00 174.74 174.82 1h38 s ARG 231 N -2.52 3.99 -0.28 -0.38 6.06 -1.26 -2.94 118.95 121.62 1h38 s ARG 231 Ca 0.33 1.44 -0.03 0.00 -2.50 0.00 0.00 55.73 54.97 1h38 s ARG 231 Cb -0.13 -2.33 0.03 0.00 0.06 0.00 0.00 34.95 32.58 1h38 s ARG 231 CO 0.26 -0.28 0.00 -0.65 -2.50 0.00 0.00 175.30 172.14 1h38 s GLN 232 N -2.85 2.78 -1.14 5.12 -1.52 -0.73 -4.69 119.66 116.63 1h38 s GLN 232 Ca 0.62 -1.03 -0.03 0.00 -1.95 0.00 0.00 55.36 52.97 1h38 s GLN 232 Cb -0.19 -3.17 -0.03 0.00 -0.22 0.00 0.00 33.01 29.40 1h38 s GLN 232 CO 0.24 -0.49 0.95 0.09 -0.25 0.00 0.00 175.29 175.84 1h38 n ASN 233 N 4.72 -4.04 -4.60 5.90 4.13 -1.26 -1.04 115.26 119.06 1h38 n ASN 233 Ca -0.15 -0.67 -0.43 0.00 1.68 0.00 0.00 54.58 55.01 1h38 n ASN 233 Cb 0.46 -5.11 -0.03 0.00 -1.54 0.00 0.00 39.78 33.56 1h38 n ASN 233 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1h38 s ALA 234 N -3.38 2.83 0.00 5.41 0.00 -1.26 -2.70 121.76 122.66 1h38 s ALA 234 Ca 0.20 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.80 1h38 s ALA 234 Cb -0.03 -4.04 0.00 0.00 0.00 0.00 0.00 23.12 19.06 1h38 s ALA 234 CO 0.74 -2.65 0.00 0.41 0.00 0.00 0.00 175.76 174.26 1h38 n GLY 235 N 5.55 1.21 3.02 0.00 0.00 -1.26 -5.04 105.19 108.68 1h38 n GLY 235 Ca 0.27 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.03 1h38 n GLY 235 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h38 s VAL 236 N -1.50 1.23 0.30 1.61 1.01 -1.10 -4.99 120.40 116.96 1h38 s VAL 236 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1h38 s VAL 236 Cb 0.00 -1.13 0.28 0.00 0.00 0.00 0.00 36.38 35.52 1h38 s VAL 236 CO 0.00 0.38 1.92 0.58 0.00 0.00 0.00 175.10 177.98 1h38 h VAL 237 N 5.98 1.09 -0.16 2.92 2.07 -1.95 -0.15 116.25 126.05 1h38 h VAL 237 Ca -0.30 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1h38 h VAL 237 Cb 1.18 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1h38 h VAL 237 CO 0.47 0.19 0.00 0.61 0.02 0.00 0.00 177.57 178.86 1h38 n GLY 238 N -1.40 3.87 0.00 2.17 0.00 -1.26 -4.62 105.19 103.95 1h38 n GLY 238 Ca 0.13 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1h38 n GLY 238 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1h38 n GLN 239 N -0.58 2.48 -1.75 1.61 6.02 -1.12 -4.94 117.38 119.10 1h38 n GLN 239 Ca 0.15 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.95 1h38 n GLN 239 Cb 0.63 -0.76 -0.09 0.00 1.02 0.00 0.00 30.24 31.04 1h38 n GLN 239 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1h38 s ASP 240 N -1.54 4.02 -0.22 1.08 -1.08 -0.08 -4.29 116.67 114.56 1h38 s ASP 240 Ca 0.00 -0.94 0.01 0.00 -0.52 0.00 0.00 52.55 51.10 1h38 s ASP 240 Cb 0.00 -2.58 0.03 0.00 -1.46 0.00 0.00 42.92 38.91 1h38 s ASP 240 CO 0.00 -4.06 -0.15 -0.44 0.52 0.00 0.00 175.17 171.04 1h38 s SER 241 N 8.40 3.75 0.03 -0.34 0.01 -0.21 -4.93 113.70 120.41 1h38 s SER 241 Ca 0.79 -0.89 -0.30 0.00 1.31 0.00 0.00 55.95 56.86 1h38 s SER 241 Cb -0.05 -1.54 -0.05 0.00 0.21 0.00 0.00 66.02 64.58 1h38 s SER 241 CO 0.14 -0.08 1.30 -0.70 0.41 0.00 0.00 173.24 174.31 1h38 s GLU 242 N 1.25 4.35 0.03 12.44 2.12 -1.26 -1.78 118.70 135.85 1h38 s GLU 242 Ca 0.00 1.87 0.00 0.00 0.36 0.00 0.00 54.97 57.20 1h38 s GLU 242 Cb -0.16 -3.45 -0.00 0.00 0.26 0.00 0.00 34.13 30.78 1h38 s GLU 242 CO -0.09 -0.43 0.02 0.25 -0.54 0.00 0.00 175.26 174.46 1h38 n THR 243 N 4.31 0.00 -4.82 -1.70 -2.24 -1.15 -2.49 114.28 106.19 1h38 n THR 243 Ca 0.11 -0.19 -0.25 0.00 -2.27 0.00 0.00 64.05 61.44 1h38 n THR 243 Cb 0.45 0.08 -0.15 0.00 -2.10 0.00 0.00 70.33 68.60 1h38 n THR 243 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1h38 s ILE 244 N -1.80 1.51 0.02 2.28 -1.09 -0.65 -3.45 121.20 118.03 1h38 s ILE 244 Ca 0.02 -0.91 0.03 0.00 -2.23 0.00 0.00 60.65 57.57 1h38 s ILE 244 Cb 0.00 -1.28 -0.02 0.00 -1.58 0.00 0.00 42.46 39.59 1h38 s ILE 244 CO 0.02 0.35 -0.11 -0.70 -1.23 0.00 0.00 174.94 173.27 1h38 s GLU 245 N -0.65 0.74 0.14 2.79 2.56 -0.43 -4.83 118.70 119.03 1h38 s GLU 245 Ca 0.07 -0.58 -0.30 0.00 0.00 0.00 0.00 54.97 54.16 1h38 s GLU 245 Cb -0.08 -0.69 -0.07 0.00 2.00 0.00 0.00 34.13 35.29 1h38 s GLU 245 CO -0.00 0.17 1.10 -1.17 -0.56 0.00 0.00 175.26 174.80 1h38 s LEU 246 N -0.88 4.46 -0.16 2.70 2.96 -1.26 -0.13 118.68 126.37 1h38 s LEU 246 Ca -0.00 2.03 -0.37 0.00 -0.22 0.00 0.00 54.13 55.56 1h38 s LEU 246 Cb -0.07 -3.60 -0.14 0.00 0.50 0.00 0.00 46.19 42.89 1h38 s LEU 246 CO 0.01 -0.26 1.77 0.00 -1.32 0.00 0.00 176.35 176.55 1h38 n ALA 247 N 2.77 0.29 -0.24 5.97 0.00 0.37 -4.84 120.51 124.82 1h38 n ALA 247 Ca 0.04 0.35 0.05 0.00 0.00 0.00 0.00 53.44 53.88 1h38 n ALA 247 Cb 0.47 -2.34 0.17 0.00 0.00 0.00 0.00 19.45 17.74 1h38 n ALA 247 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1h38 h PRO 248 N 7.86 0.20 0.38 0.00 0.11 -1.91 -1.18 132.00 137.46 1h38 h PRO 248 Ca -0.47 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1h38 h PRO 248 Cb 1.30 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1h38 h PRO 248 CO 0.94 0.13 -0.18 0.93 -0.21 0.00 0.00 178.00 179.61 1h38 h GLU 249 N 0.21 -0.49 -0.04 1.05 3.07 -1.95 -2.69 114.58 113.73 1h38 h GLU 249 Ca 0.40 0.03 0.01 0.00 -0.50 0.00 0.00 59.36 59.31 1h38 h GLU 249 Cb 0.70 0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.72 1h38 h GLU 249 CO -0.55 -0.28 0.10 1.88 -1.40 0.00 0.00 179.01 178.76 1h38 h TYR 250 N -0.59 0.00 0.00 4.33 0.99 -1.72 0.23 116.97 120.21 1h38 h TYR 250 Ca -0.05 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.51 1h38 h TYR 250 Cb 0.44 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.14 1h38 h TYR 250 CO -0.03 0.00 -0.86 0.00 -0.00 0.00 0.00 178.16 177.27 1h38 h ALA 251 N 1.84 0.55 -0.11 3.88 0.00 -1.00 -3.22 119.26 121.20 1h38 h ALA 251 Ca 0.02 -0.74 -0.18 0.00 0.00 0.00 0.00 54.91 54.02 1h38 h ALA 251 Cb 0.22 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1h38 h ALA 251 CO -0.00 0.97 -0.62 0.93 0.00 0.00 0.00 179.25 180.53 1h38 h GLU 252 N 0.00 0.61 0.49 0.00 5.08 -0.26 -2.52 114.58 117.99 1h38 h GLU 252 Ca -0.04 -0.51 -0.02 0.00 -1.00 0.00 0.00 59.36 57.79 1h38 h GLU 252 Cb 1.60 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.95 1h38 h GLU 252 CO 0.09 1.13 -0.34 0.00 -1.00 0.00 0.00 179.01 178.89 1h38 h ALA 253 N 0.49 -0.82 -0.36 3.43 0.00 -1.44 0.23 119.26 120.77 1h38 h ALA 253 Ca -0.05 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.79 1h38 h ALA 253 Cb 1.26 0.44 -0.08 0.00 0.00 0.00 0.00 17.79 19.41 1h38 h ALA 253 CO 0.13 -0.98 -0.20 0.82 0.00 0.00 0.00 179.25 179.01 1h38 h ILE 254 N -0.81 0.42 -0.74 0.00 2.04 -1.63 1.00 117.51 117.79 1h38 h ILE 254 Ca -0.05 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.88 1h38 h ILE 254 Cb 0.68 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 37.12 1h38 h ILE 254 CO 0.03 0.00 0.43 0.00 0.00 0.00 0.00 178.15 178.60 1h38 h ALA 255 N 1.08 1.02 -0.29 1.87 0.00 -1.23 0.30 119.26 122.01 1h38 h ALA 255 Ca 0.18 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1h38 h ALA 255 Cb 0.42 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1h38 h ALA 255 CO -0.45 0.10 -0.22 1.15 0.00 0.00 0.00 179.25 179.83 1h38 h THR 256 N 0.76 1.30 0.08 0.00 2.02 0.12 0.17 112.91 117.37 1h38 h THR 256 Ca 0.34 -1.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.15 1h38 h THR 256 Cb 0.23 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1h38 h THR 256 CO -0.20 0.43 -0.04 -0.09 0.37 0.00 0.00 175.52 176.00 1h38 h ARG 257 N 0.40 -0.11 -0.26 6.66 1.12 0.14 -1.02 114.38 121.31 1h38 h ARG 257 Ca 0.05 0.01 0.01 0.00 -1.11 0.00 0.00 59.98 58.94 1h38 h ARG 257 Cb 0.77 0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.74 1h38 h ARG 257 CO 0.06 -0.04 0.15 0.00 -3.11 0.00 0.00 179.97 177.03 1h38 h ALA 258 N 0.78 0.32 0.02 2.80 0.00 -0.42 -1.51 119.26 121.25 1h38 h ALA 258 Ca -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1h38 h ALA 258 Cb 0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1h38 h ALA 258 CO 0.02 -0.23 -0.18 0.78 0.00 0.00 0.00 179.25 179.64 1h38 h GLY 259 N 0.32 -1.26 -0.01 0.00 0.00 -0.36 -0.51 103.07 101.24 1h38 h GLY 259 Ca 0.10 0.60 0.13 0.00 0.00 0.00 0.00 47.33 48.16 1h38 h GLY 259 CO -0.04 -0.42 0.06 0.00 0.00 0.00 0.00 176.54 176.14 1h38 h ALA 260 N -1.16 0.69 -0.45 3.60 0.00 -1.15 -0.94 119.26 119.85 1h38 h ALA 260 Ca 0.00 0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.17 1h38 h ALA 260 Cb 0.25 0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 1h38 h ALA 260 CO -0.11 -0.37 -0.05 1.25 0.00 0.00 0.00 179.25 179.96 1h38 h LEU 261 N 0.17 -0.30 -0.87 0.00 5.85 -0.91 0.55 115.31 119.80 1h38 h LEU 261 Ca 0.34 0.12 0.00 0.00 0.84 0.00 0.00 57.88 59.18 1h38 h LEU 261 Cb 0.55 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.81 1h38 h LEU 261 CO -0.50 -0.11 0.14 0.00 -0.34 0.00 0.00 178.44 177.64 1h38 n ALA 262 N -2.70 0.82 -0.63 1.25 0.00 -0.23 -0.53 120.51 118.48 1h38 n ALA 262 Ca 0.04 0.12 0.09 0.00 0.00 0.00 0.00 53.44 53.69 1h38 n ALA 262 Cb 0.24 -0.98 0.34 0.00 0.00 0.00 0.00 19.45 19.05 1h38 n ALA 262 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h38 n GLY 263 N -1.31 2.86 0.00 0.00 0.00 0.19 -3.52 105.19 103.41 1h38 n GLY 263 Ca -0.01 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1h38 n GLY 263 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1h38 n ILE 264 N 0.96 0.37 -3.43 -0.61 5.41 0.31 -4.72 119.36 117.64 1h38 n ILE 264 Ca 0.25 -0.58 -0.27 0.00 1.00 0.00 0.00 62.75 63.15 1h38 n ILE 264 Cb 0.87 0.93 -0.08 0.00 -0.71 0.00 0.00 39.64 40.65 1h38 n ILE 264 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1h38 n SER 265 N -0.18 3.75 -4.82 4.38 2.88 -1.24 -4.93 113.62 113.46 1h38 n SER 265 Ca 0.00 -3.44 -0.34 0.00 -1.33 0.00 0.00 58.87 53.76 1h38 n SER 265 Cb 0.17 -0.67 -0.07 0.00 -0.75 0.00 0.00 64.21 62.89 1h38 n SER 265 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1h38 s PRO 266 N -2.46 4.26 -0.94 -1.46 0.04 -1.26 -3.99 135.00 129.19 1h38 s PRO 266 Ca 0.40 1.09 -0.17 0.00 0.04 0.00 0.00 61.00 62.35 1h38 s PRO 266 Cb 0.15 -2.34 0.15 0.00 0.04 0.00 0.00 34.50 32.50 1h38 s PRO 266 CO -0.01 0.06 1.09 -1.64 0.04 0.00 0.00 177.00 176.53 1h38 s MET 267 N -2.93 3.66 0.20 4.56 -1.94 -0.08 -4.86 119.30 117.92 1h38 s MET 267 Ca 0.58 -2.00 -0.32 0.00 -1.71 0.00 0.00 55.69 52.24 1h38 s MET 267 Cb -0.11 -4.83 -0.13 0.00 2.01 0.00 0.00 34.83 31.77 1h38 s MET 267 CO 0.16 -1.67 1.65 1.19 -0.01 0.00 0.00 175.02 176.33 1h38 n PHE 268 N 5.91 2.57 -4.59 -0.03 3.72 -1.26 -4.54 117.46 119.23 1h38 n PHE 268 Ca 0.23 0.15 -0.29 0.00 -0.05 0.00 0.00 57.45 57.49 1h38 n PHE 268 Cb 0.48 -2.61 -0.09 0.00 -0.94 0.00 0.00 39.48 36.31 1h38 n PHE 268 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1h38 s GLN 269 N 0.88 2.08 1.22 -1.08 -0.21 -1.26 -2.28 119.66 119.01 1h38 s GLN 269 Ca 0.75 -2.18 -0.19 0.00 0.02 0.00 0.00 55.36 53.76 1h38 s GLN 269 Cb -0.57 -1.66 0.29 0.00 1.00 0.00 0.00 33.01 32.08 1h38 s GLN 269 CO 0.36 -0.19 1.08 -2.14 -2.12 0.00 0.00 175.29 172.29 1h38 s PRO 270 N -3.81 -1.38 0.08 2.91 0.02 -1.26 -4.62 135.00 126.94 1h38 s PRO 270 Ca 0.26 0.01 0.06 0.00 0.02 0.00 0.00 61.00 61.35 1h38 s PRO 270 Cb 0.06 -1.57 -0.04 0.00 0.02 0.00 0.00 34.50 32.97 1h38 s PRO 270 CO 0.13 -3.83 -0.07 0.00 -0.33 0.00 0.00 177.00 172.90 1h38 n VAL 272 N 0.81 0.00 -4.06 0.00 0.31 -1.26 -0.87 118.33 113.25 1h38 n VAL 272 Ca -0.13 -0.05 -0.07 0.00 -0.01 0.00 0.00 64.34 64.08 1h38 n VAL 272 Cb 0.52 0.45 -0.10 0.00 -0.91 0.00 0.00 33.84 33.80 1h38 n VAL 272 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1h38 s VAL 273 N -2.83 0.20 0.20 2.52 -7.23 -1.26 -4.87 120.40 107.13 1h38 s VAL 273 Ca 0.15 -1.65 -0.31 0.00 -1.81 0.00 0.00 61.98 58.36 1h38 s VAL 273 Cb 0.18 -1.32 -0.15 0.00 0.56 0.00 0.00 36.38 35.65 1h38 s VAL 273 CO 0.67 -0.91 1.10 -2.65 -0.31 0.00 0.00 175.10 173.00 1h38 n PRO 274 N 0.34 1.16 -0.72 4.82 -0.02 -1.26 -4.67 135.00 134.65 1h38 n PRO 274 Ca -0.16 0.41 -0.31 0.00 -2.02 0.00 0.00 63.50 61.43 1h38 n PRO 274 Cb 0.60 -1.86 0.16 0.00 -0.02 0.00 0.00 33.50 32.39 1h38 n PRO 274 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1h38 s PRO 275 N -0.68 1.05 -0.15 0.52 0.02 -1.26 -4.90 135.00 129.60 1h38 s PRO 275 Ca 0.69 1.55 -0.29 0.00 0.02 0.00 0.00 61.00 62.97 1h38 s PRO 275 Cb -0.82 -1.73 -0.03 0.00 0.02 0.00 0.00 34.50 31.94 1h38 s PRO 275 CO 0.54 -2.61 1.48 0.21 -0.33 0.00 0.00 177.00 176.29 1h38 s LYS 276 N -4.64 4.09 0.25 5.54 2.20 0.35 -4.87 119.74 122.66 1h38 s LYS 276 Ca 0.67 1.80 -0.30 0.00 -0.36 0.00 0.00 55.97 57.78 1h38 s LYS 276 Cb -0.23 -3.91 -0.14 0.00 -1.51 0.00 0.00 37.83 32.04 1h38 s LYS 276 CO 0.58 -0.93 1.15 -2.30 -0.36 0.00 0.00 175.35 173.49 1h38 n PRO 277 N 7.09 1.50 -2.48 4.03 -0.02 -1.26 -0.47 135.00 143.39 1h38 n PRO 277 Ca 0.16 0.53 -0.43 0.00 -2.02 0.00 0.00 63.50 61.74 1h38 n PRO 277 Cb 0.44 -2.00 -0.02 0.00 -0.02 0.00 0.00 33.50 31.90 1h38 n PRO 277 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1h38 s TRP 278 N -0.65 3.10 -0.19 6.00 0.52 -1.26 -4.65 118.94 121.82 1h38 s TRP 278 Ca 0.64 1.19 0.06 0.00 0.02 0.00 0.00 56.10 58.01 1h38 s TRP 278 Cb -0.72 -3.42 -0.08 0.00 -1.15 0.00 0.00 33.47 28.10 1h38 s TRP 278 CO 0.56 -1.32 0.22 -2.37 0.02 0.00 0.00 176.95 174.06 1h38 n THR 279 N 4.92 0.00 -3.21 2.01 5.66 -1.26 -4.97 114.28 117.42 1h38 n THR 279 Ca 0.12 -0.28 -0.00 0.00 -3.05 0.00 0.00 64.05 60.83 1h38 n THR 279 Cb 0.46 0.78 0.00 0.00 -1.55 0.00 0.00 70.33 70.02 1h38 n THR 279 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1h38 n GLY 280 N 1.49 1.66 0.42 1.09 0.00 -1.26 -5.04 105.19 103.54 1h38 n GLY 280 Ca 0.00 -0.99 0.22 0.00 0.00 0.00 0.00 46.02 45.26 1h38 n GLY 280 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1h38 h ILE 281 N 1.06 0.66 -3.86 -0.61 5.03 -1.90 -3.43 117.51 114.45 1h38 h ILE 281 Ca -0.02 -0.05 -0.30 0.00 -0.12 0.00 0.00 64.86 64.37 1h38 h ILE 281 Cb 0.07 0.49 -0.08 0.00 -3.03 0.00 0.00 36.82 34.28 1h38 h ILE 281 CO 0.02 0.03 -0.26 0.35 -0.68 0.00 0.00 178.15 177.61 1h38 n THR 282 N -4.38 0.00 -0.84 -0.27 -2.24 -1.26 -0.69 114.28 104.60 1h38 n THR 282 Ca 0.16 -1.61 0.00 0.00 -2.27 0.00 0.00 64.05 60.33 1h38 n THR 282 Cb 0.75 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 1h38 n THR 282 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h38 n GLY 283 N -0.45 0.82 3.64 3.38 0.00 -1.15 -4.77 105.19 106.66 1h38 n GLY 283 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1h38 n GLY 283 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h38 n GLY 284 N -2.00 -0.53 5.87 -0.02 0.00 -1.26 -4.71 105.19 102.53 1h38 n GLY 284 Ca 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1h38 n GLY 284 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h38 n GLY 285 N -2.74 2.01 3.89 -0.02 0.00 0.38 -4.61 105.19 104.11 1h38 n GLY 285 Ca 0.16 0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 1h38 n GLY 285 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h38 s TYR 286 N 0.00 3.50 -0.24 1.61 2.02 -1.26 0.13 117.35 123.11 1h38 s TYR 286 Ca 0.00 1.00 -0.17 0.00 -0.37 0.00 0.00 57.07 57.53 1h38 s TYR 286 Cb 0.00 -2.65 -0.14 0.00 -0.40 0.00 0.00 41.96 38.77 1h38 s TYR 286 CO 0.00 -0.66 -0.13 0.91 -1.57 0.00 0.00 175.55 174.10 1h38 n TRP 287 N -2.61 0.44 -0.82 2.71 7.02 -1.26 -4.59 117.44 118.32 1h38 n TRP 287 Ca 0.04 0.19 -0.34 0.00 -1.02 0.00 0.00 57.50 56.37 1h38 n TRP 287 Cb 0.55 -1.01 0.11 0.00 -2.42 0.00 0.00 31.31 28.54 1h38 n TRP 287 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1h38 n ALA 288 N -3.91 -3.74 -2.86 6.99 0.00 -1.26 -4.89 120.51 110.84 1h38 n ALA 288 Ca -0.43 -0.83 -0.38 0.00 0.00 0.00 0.00 53.44 51.81 1h38 n ALA 288 Cb 0.77 -1.54 -0.00 0.00 0.00 0.00 0.00 19.45 18.68 1h38 n ALA 288 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1h38 n ASN 289 N -0.14 6.27 -4.77 0.00 5.03 -1.26 -5.03 115.26 115.36 1h38 n ASN 289 Ca 0.03 -3.60 -0.34 0.00 0.87 0.00 0.00 54.58 51.54 1h38 n ASN 289 Cb 0.58 -1.03 0.03 0.00 -1.02 0.00 0.00 39.78 38.33 1h38 n ASN 289 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1h38 s GLY 290 N -1.97 2.42 0.00 7.41 0.00 -1.26 -4.83 107.32 109.09 1h38 s GLY 290 Ca 0.39 0.71 0.00 0.00 0.00 0.00 0.00 44.72 45.82 1h38 s GLY 290 CO -0.06 1.07 0.52 0.54 0.00 0.00 0.00 173.10 175.17 1h38 n ARG 291 N -1.85 0.56 -3.30 2.90 5.12 -1.26 -3.51 116.66 115.32 1h38 n ARG 291 Ca 0.11 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.78 1h38 n ARG 291 Cb 0.51 -1.04 -0.07 0.00 -1.16 0.00 0.00 32.46 30.70 1h38 n ARG 291 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1h38 n ARG 292 N -0.40 1.80 -1.79 5.56 3.00 -1.26 -4.96 116.66 118.61 1h38 n ARG 292 Ca 0.00 -4.07 -0.42 0.00 -0.00 0.00 0.00 57.85 53.36 1h38 n ARG 292 Cb 0.02 -1.83 -0.02 0.00 0.00 0.00 0.00 32.46 30.63 1h38 n ARG 292 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 1h38 s PRO 293 N -2.03 4.14 0.21 -0.14 0.02 -1.23 -4.97 135.00 131.00 1h38 s PRO 293 Ca 0.39 2.56 -0.30 0.00 0.02 0.00 0.00 61.00 63.66 1h38 s PRO 293 Cb 0.17 -3.04 -0.09 0.00 0.02 0.00 0.00 34.50 31.56 1h38 s PRO 293 CO -0.06 -0.64 1.33 -0.51 -0.33 0.00 0.00 177.00 176.79 1h38 s LEU 294 N -0.14 4.41 0.12 -5.54 1.43 -1.26 -4.85 118.68 112.85 1h38 s LEU 294 Ca 0.65 2.46 -0.10 0.00 -1.03 0.00 0.00 54.13 56.11 1h38 s LEU 294 Cb -0.48 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.07 1h38 s LEU 294 CO 0.44 -0.55 0.44 0.00 0.23 0.00 0.00 176.35 176.91 1h38 s ALA 295 N 0.02 3.69 0.02 4.21 0.00 -1.26 -2.93 121.76 125.51 1h38 s ALA 295 Ca 0.57 -0.34 0.31 0.00 0.00 0.00 0.00 51.96 52.49 1h38 s ALA 295 Cb -0.37 -2.32 1.18 0.00 0.00 0.00 0.00 23.12 21.61 1h38 s ALA 295 CO 0.40 0.55 1.92 1.25 0.00 0.00 0.00 175.76 179.88 1h38 h LEU 296 N 3.41 0.00 -7.81 0.00 5.85 -1.18 -3.42 115.31 112.17 1h38 h LEU 296 Ca -0.48 0.00 -0.42 0.00 0.84 0.00 0.00 57.88 57.82 1h38 h LEU 296 Cb 1.19 0.00 -0.33 0.00 0.37 0.00 0.00 40.66 41.88 1h38 h LEU 296 CO 0.67 0.02 -0.78 -0.69 -0.34 0.00 0.00 178.44 177.33 1h38 s VAL 297 N -3.60 0.64 -1.06 1.05 1.01 -1.26 -3.12 120.40 114.06 1h38 s VAL 297 Ca 0.02 -0.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.59 1h38 s VAL 297 Cb 0.08 -0.63 0.07 0.00 0.00 0.00 0.00 36.38 35.90 1h38 s VAL 297 CO 0.57 0.24 1.44 -0.13 0.00 0.00 0.00 175.10 177.22 1h38 s ARG 298 N 0.76 3.68 0.36 2.72 0.52 0.14 -4.94 118.95 122.19 1h38 s ARG 298 Ca -0.11 -1.45 0.05 0.00 -0.52 0.00 0.00 55.73 53.71 1h38 s ARG 298 Cb -0.14 -5.30 -0.01 0.00 0.52 0.00 0.00 34.95 30.02 1h38 s ARG 298 CO 0.01 -2.12 0.51 0.95 0.02 0.00 0.00 175.30 174.66 1h38 s THR 299 N 4.30 4.03 -0.15 0.02 -4.23 -1.26 -3.34 115.64 115.01 1h38 s THR 299 Ca 0.45 -0.91 -0.28 0.00 -1.18 0.00 0.00 61.69 59.77 1h38 s THR 299 Cb -0.00 -3.41 -0.25 0.00 1.34 0.00 0.00 72.50 70.18 1h38 s THR 299 CO -0.06 -0.18 0.71 0.45 -0.54 0.00 0.00 174.62 175.00 1h38 h HIS 300 N 0.80 0.00 -3.33 3.99 3.86 -1.97 -3.47 115.15 115.04 1h38 h HIS 300 Ca -0.46 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.10 1h38 h HIS 300 Cb 1.26 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.60 1h38 h HIS 300 CO 0.43 1.03 -0.64 -1.54 0.86 0.00 0.00 177.93 178.06 1h38 s SER 301 N -6.26 5.16 0.32 2.45 1.04 -1.26 -5.00 113.70 110.15 1h38 s SER 301 Ca -0.20 -0.06 0.04 0.00 0.48 0.00 0.00 55.95 56.21 1h38 s SER 301 Cb -0.02 -1.32 0.64 0.00 0.10 0.00 0.00 66.02 65.42 1h38 s SER 301 CO 0.67 0.23 1.89 0.50 0.98 0.00 0.00 173.24 177.51 1h38 h LYS 302 N 3.87 0.87 -0.76 4.02 3.64 -2.01 -0.24 116.57 125.96 1h38 h LYS 302 Ca -0.48 -0.05 0.10 0.00 -1.27 0.00 0.00 60.65 58.94 1h38 h LYS 302 Cb 1.17 -0.20 -0.07 0.00 -0.41 0.00 0.00 32.23 32.72 1h38 h LYS 302 CO 0.60 0.57 0.40 -0.22 -2.27 0.00 0.00 179.45 178.53 1h38 h LYS 303 N 0.90 0.65 -0.30 1.90 3.64 -2.00 -0.97 116.57 120.39 1h38 h LYS 303 Ca 0.42 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.71 1h38 h LYS 303 Cb 0.41 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1h38 h LYS 303 CO -0.18 0.43 -0.04 0.00 -2.27 0.00 0.00 179.45 177.39 1h38 h ALA 304 N 1.45 1.38 0.08 5.00 0.00 -1.45 -2.74 119.26 122.98 1h38 h ALA 304 Ca 0.38 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1h38 h ALA 304 Cb 0.39 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1h38 h ALA 304 CO -0.27 0.43 -0.04 1.25 0.00 0.00 0.00 179.25 180.62 1h38 h LEU 305 N 0.45 -0.09 -1.47 0.00 6.46 -0.91 -3.03 115.31 116.72 1h38 h LEU 305 Ca 0.09 -0.13 0.18 0.00 -0.12 0.00 0.00 57.88 57.91 1h38 h LEU 305 Cb 0.35 0.02 -0.07 0.00 -0.73 0.00 0.00 40.66 40.24 1h38 h LEU 305 CO 0.01 0.07 0.57 0.24 -0.62 0.00 0.00 178.44 178.72 1h38 h MET 306 N -0.24 0.46 0.00 1.25 2.86 -1.08 -0.34 114.93 117.84 1h38 h MET 306 Ca -0.01 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1h38 h MET 306 Cb 0.21 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.76 1h38 h MET 306 CO 0.02 0.30 0.46 0.00 1.06 0.00 0.00 176.91 178.75 1h38 h ARG 307 N 0.47 0.00 0.00 1.72 3.08 -1.41 0.23 114.38 118.47 1h38 h ARG 307 Ca 0.45 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.48 1h38 h ARG 307 Cb 1.02 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.06 1h38 h ARG 307 CO -0.18 0.00 -1.49 0.66 -1.07 0.00 0.00 179.97 177.89 1h38 n TYR 308 N -2.74 0.53 -0.24 3.04 4.02 -0.14 -4.60 117.16 117.03 1h38 n TYR 308 Ca -0.02 0.16 -0.01 0.00 -0.01 0.00 0.00 57.90 58.02 1h38 n TYR 308 Cb 0.49 -0.77 0.01 0.00 -0.02 0.00 0.00 39.34 39.06 1h38 n TYR 308 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1h38 n GLU 309 N -2.51 -0.16 -0.47 -0.72 2.13 0.80 -0.66 120.64 119.05 1h38 n GLU 309 Ca -0.03 0.95 0.07 0.00 0.66 0.00 0.00 57.16 58.82 1h38 n GLU 309 Cb 0.59 -1.42 0.25 0.00 0.27 0.00 0.00 31.44 31.13 1h38 n GLU 309 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1h38 n ASP 310 N -4.90 3.72 -4.72 4.31 8.00 -1.26 -4.72 116.55 116.97 1h38 n ASP 310 Ca 0.06 -3.10 -0.41 0.00 0.71 0.00 0.00 54.79 52.04 1h38 n ASP 310 Cb 0.24 -0.55 -0.04 0.00 -0.02 0.00 0.00 41.12 40.75 1h38 n ASP 310 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1h38 s VAL 311 N -2.88 4.32 -0.45 2.53 1.01 0.16 -4.99 120.40 120.10 1h38 s VAL 311 Ca 0.42 1.82 -0.22 0.00 0.00 0.00 0.00 61.98 64.00 1h38 s VAL 311 Cb 0.35 -4.16 0.03 0.00 0.00 0.00 0.00 36.38 32.59 1h38 s VAL 311 CO 0.08 0.22 0.73 -0.47 0.00 0.00 0.00 175.10 175.67 1h38 s TYR 312 N 0.42 3.01 -0.43 5.22 5.04 -1.26 -4.92 117.35 124.43 1h38 s TYR 312 Ca 0.51 0.04 0.07 0.00 -2.44 0.00 0.00 57.07 55.25 1h38 s TYR 312 Cb -0.26 -3.57 0.25 0.00 0.35 0.00 0.00 41.96 38.74 1h38 s TYR 312 CO 0.31 -0.97 0.67 0.00 -1.34 0.00 0.00 175.55 174.22 1h38 n MET 313 N 6.57 0.75 -0.08 4.97 0.00 -1.26 -4.98 117.12 123.09 1h38 n MET 313 Ca 0.00 -2.65 -0.07 0.00 0.00 0.00 0.00 57.70 54.99 1h38 n MET 313 Cb 0.48 -1.32 -0.00 0.00 0.00 0.00 0.00 33.22 32.38 1h38 n MET 313 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 1h38 h PRO 314 N 3.95 0.07 -0.65 3.17 0.11 -1.91 -2.31 132.00 134.43 1h38 h PRO 314 Ca -0.01 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.15 1h38 h PRO 314 Cb 0.94 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 31.98 1h38 h PRO 314 CO 0.41 0.04 0.37 0.93 -0.21 0.00 0.00 178.00 179.54 1h38 h GLU 315 N 0.07 0.66 0.25 1.05 4.39 -1.95 0.51 114.58 119.56 1h38 h GLU 315 Ca 0.14 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 1h38 h GLU 315 Cb 0.20 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1h38 h GLU 315 CO -0.25 0.44 -0.22 0.28 -1.16 0.00 0.00 179.01 178.10 1h38 h VAL 316 N 0.68 0.53 -0.83 3.13 2.07 -1.61 -1.43 116.25 118.80 1h38 h VAL 316 Ca 0.29 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.88 1h38 h VAL 316 Cb 0.17 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.41 1h38 h VAL 316 CO -0.17 0.00 0.50 1.88 0.02 0.00 0.00 177.57 179.80 1h38 h TYR 317 N -0.49 0.92 0.12 1.57 0.05 -1.05 -1.86 116.97 116.23 1h38 h TYR 317 Ca -0.01 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.81 1h38 h TYR 317 Cb 0.44 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 1h38 h TYR 317 CO -0.14 0.45 -0.15 0.87 -1.05 0.00 0.00 178.16 178.15 1h38 h LYS 318 N 0.90 -0.29 0.20 4.88 1.57 -0.42 -0.46 116.57 122.95 1h38 h LYS 318 Ca 0.37 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1h38 h LYS 318 Cb 0.20 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1h38 h LYS 318 CO -0.19 -0.19 -0.30 0.00 -0.57 0.00 0.00 179.45 178.20 1h38 h ALA 319 N 0.54 -0.91 -0.90 3.86 0.00 -0.97 0.30 119.26 121.19 1h38 h ALA 319 Ca 0.01 -0.09 0.25 0.00 0.00 0.00 0.00 54.91 55.08 1h38 h ALA 319 Cb 0.30 0.61 -0.14 0.00 0.00 0.00 0.00 17.79 18.56 1h38 h ALA 319 CO -0.06 -0.96 0.29 0.82 0.00 0.00 0.00 179.25 179.34 1h38 h ILE 320 N -0.52 0.32 -0.17 0.00 1.08 -1.29 -0.15 117.51 116.78 1h38 h ILE 320 Ca -0.02 -0.08 -0.22 0.00 -0.39 0.00 0.00 64.86 64.15 1h38 h ILE 320 Cb 0.48 0.06 0.01 0.00 -3.07 0.00 0.00 36.82 34.30 1h38 h ILE 320 CO -0.09 0.04 -0.74 0.78 -0.69 0.00 0.00 178.15 177.45 1h38 h ASN 321 N 0.23 0.92 0.14 1.72 2.35 -0.40 -1.54 115.58 119.01 1h38 h ASN 321 Ca 0.58 -0.59 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1h38 h ASN 321 Cb 1.19 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.28 1h38 h ASN 321 CO -0.64 1.38 -0.10 0.40 -1.65 0.00 0.00 177.43 176.82 1h38 h ILE 322 N 0.54 0.77 0.44 2.81 1.08 0.11 -2.35 117.51 120.92 1h38 h ILE 322 Ca -0.04 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.42 1h38 h ILE 322 Cb 1.37 0.77 -0.02 0.00 -3.07 0.00 0.00 36.82 35.87 1h38 h ILE 322 CO 0.15 0.00 -0.39 0.00 -0.69 0.00 0.00 178.15 177.22 1h38 h ALA 323 N 0.60 -0.88 0.00 1.87 0.00 -1.10 -0.88 119.26 118.87 1h38 h ALA 323 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1h38 h ALA 323 Cb 0.22 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1h38 h ALA 323 CO -0.00 -1.03 0.35 0.37 0.00 0.00 0.00 179.25 178.94 1h38 h GLN 324 N -0.84 0.00 -0.17 0.00 4.15 -1.20 0.11 115.11 117.16 1h38 h GLN 324 Ca -0.04 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1h38 h GLN 324 Cb 0.73 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.42 1h38 h GLN 324 CO -0.03 0.00 0.00 -1.71 -1.93 0.00 0.00 178.83 175.16 1h38 n ASN 325 N -2.14 3.02 -4.72 -0.69 5.15 -0.34 -4.37 115.26 111.17 1h38 n ASN 325 Ca -0.01 -1.95 -0.42 0.00 -0.60 0.00 0.00 54.58 51.60 1h38 n ASN 325 Cb 0.37 -0.10 -0.03 0.00 -0.53 0.00 0.00 39.78 39.49 1h38 n ASN 325 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1h38 s THR 326 N -1.80 3.15 -0.12 -0.44 2.01 0.38 -4.97 115.64 113.85 1h38 s THR 326 Ca 0.33 0.84 -0.21 0.00 0.31 0.00 0.00 61.69 62.96 1h38 s THR 326 Cb 0.21 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 1h38 s THR 326 CO 0.31 0.07 0.60 0.00 -0.69 0.00 0.00 174.62 174.91 1h38 s ALA 327 N 1.02 3.44 0.42 7.40 0.00 -1.26 -4.62 121.76 128.16 1h38 s ALA 327 Ca 0.65 -0.08 0.07 0.00 0.00 0.00 0.00 51.96 52.60 1h38 s ALA 327 Cb -0.38 -2.85 -0.06 0.00 0.00 0.00 0.00 23.12 19.83 1h38 s ALA 327 CO 0.31 -0.18 0.15 -1.58 0.00 0.00 0.00 175.76 174.46 1h38 s TRP 328 N 1.02 2.56 0.05 0.00 0.52 0.07 -0.66 118.94 122.49 1h38 s TRP 328 Ca 0.31 -0.62 -0.26 0.00 0.02 0.00 0.00 56.10 55.56 1h38 s TRP 328 Cb -0.16 -1.92 0.06 0.00 -1.15 0.00 0.00 33.47 30.30 1h38 s TRP 328 CO 0.13 0.23 0.61 -1.59 0.02 0.00 0.00 176.95 176.35 1h38 s LYS 329 N -3.87 1.13 -0.01 4.98 -2.85 0.10 0.72 119.74 119.94 1h38 s LYS 329 Ca 0.39 -0.13 -0.30 0.00 -1.00 0.00 0.00 55.97 54.92 1h38 s LYS 329 Cb 0.05 0.52 -0.05 0.00 -2.06 0.00 0.00 37.83 36.30 1h38 s LYS 329 CO 0.21 -0.42 1.31 0.42 0.10 0.00 0.00 175.35 176.97 1h38 s ILE 330 N -2.43 3.93 -0.98 3.79 -1.09 -1.26 -0.93 121.20 122.22 1h38 s ILE 330 Ca -0.05 1.30 -0.24 0.00 -2.23 0.00 0.00 60.65 59.43 1h38 s ILE 330 Cb -0.01 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 37.00 1h38 s ILE 330 CO -0.01 0.01 1.87 0.21 -1.23 0.00 0.00 174.94 175.79 1h38 s ASN 331 N 1.63 5.37 0.18 3.58 3.84 0.19 -4.81 114.94 124.92 1h38 s ASN 331 Ca 0.60 -1.02 -0.15 0.00 0.21 0.00 0.00 52.86 52.50 1h38 s ASN 331 Cb -0.29 -2.57 0.15 0.00 -0.55 0.00 0.00 41.25 38.00 1h38 s ASN 331 CO 0.25 -2.58 1.66 0.11 -2.79 0.00 0.00 177.10 173.75 1h38 h LYS 332 N 10.67 0.02 -0.62 0.43 1.57 -1.90 -0.65 116.57 126.09 1h38 h LYS 332 Ca 0.15 -0.00 0.17 0.00 -1.87 0.00 0.00 60.65 59.09 1h38 h LYS 332 Cb 0.99 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.27 1h38 h LYS 332 CO 1.25 0.01 0.44 0.87 -0.57 0.00 0.00 179.45 181.46 1h38 h LYS 333 N 0.02 0.06 0.17 3.15 1.57 -1.99 0.42 116.57 119.98 1h38 h LYS 333 Ca 0.24 -0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.69 1h38 h LYS 333 Cb 0.36 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.67 1h38 h LYS 333 CO -0.48 0.04 -1.51 0.28 -0.57 0.00 0.00 179.45 177.21 1h38 h VAL 334 N 0.07 1.21 -0.88 0.50 2.07 -1.49 -3.28 116.25 114.45 1h38 h VAL 334 Ca 0.30 -2.77 0.06 0.00 0.82 0.00 0.00 66.70 65.11 1h38 h VAL 334 Cb 1.10 2.87 -0.06 0.00 -1.52 0.00 0.00 31.29 33.68 1h38 h VAL 334 CO -0.02 0.84 0.57 0.25 0.02 0.00 0.00 177.57 179.23 1h38 h LEU 335 N 0.10 0.87 0.09 2.57 7.12 0.19 -1.86 115.31 124.40 1h38 h LEU 335 Ca -0.25 0.00 0.02 0.00 0.13 0.00 0.00 57.88 57.79 1h38 h LEU 335 Cb 2.06 -0.18 -0.04 0.00 -0.53 0.00 0.00 40.66 41.97 1h38 h LEU 335 CO 0.20 0.56 -0.28 0.00 -0.13 0.00 0.00 178.44 178.79 1h38 h ALA 336 N 1.52 -0.46 -0.47 1.25 0.00 -1.20 0.38 119.26 120.28 1h38 h ALA 336 Ca 0.38 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.28 1h38 h ALA 336 Cb 0.20 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1h38 h ALA 336 CO -0.14 -0.81 0.26 0.28 0.00 0.00 0.00 179.25 178.84 1h38 h VAL 337 N -0.48 0.99 -0.39 0.00 2.07 -1.48 -2.74 116.25 114.22 1h38 h VAL 337 Ca 0.04 -0.17 -0.12 0.00 0.82 0.00 0.00 66.70 67.27 1h38 h VAL 337 Cb 0.52 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1h38 h VAL 337 CO -0.18 0.09 -0.22 0.00 0.02 0.00 0.00 177.57 177.28 1h38 h ALA 338 N 1.24 0.55 -0.91 1.67 0.00 -1.03 -2.26 119.26 118.52 1h38 h ALA 338 Ca 0.20 -0.38 0.17 0.00 0.00 0.00 0.00 54.91 54.90 1h38 h ALA 338 Cb 0.08 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 1h38 h ALA 338 CO -0.12 0.52 0.59 -0.91 0.00 0.00 0.00 179.25 179.33 1h38 h ASN 339 N 0.64 0.60 0.00 0.00 2.35 -0.02 -1.27 115.58 117.87 1h38 h ASN 339 Ca 0.08 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1h38 h ASN 339 Cb 0.78 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.09 1h38 h ASN 339 CO 0.06 0.27 0.00 0.52 -1.65 0.00 0.00 177.43 176.63 1h38 n VAL 340 N -4.57 0.00 0.32 2.81 0.31 -1.06 -4.19 118.33 111.96 1h38 n VAL 340 Ca 0.19 0.47 0.18 0.00 -0.01 0.00 0.00 64.34 65.17 1h38 n VAL 340 Cb 0.55 -1.16 0.95 0.00 -0.91 0.00 0.00 33.84 33.28 1h38 n VAL 340 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 1h38 h ILE 341 N 0.00 0.00 0.00 2.52 3.07 -1.45 -1.52 117.51 120.14 1h38 h ILE 341 Ca 0.00 0.00 -0.04 0.00 1.55 0.00 0.00 64.86 66.37 1h38 h ILE 341 Cb 0.00 0.78 -0.01 0.00 -0.27 0.00 0.00 36.82 37.32 1h38 h ILE 341 CO 0.00 0.00 -0.21 0.71 -1.05 0.00 0.00 178.15 177.60 1h38 h THR 342 N 0.00 0.46 -0.10 0.16 1.35 -1.40 -2.22 112.91 111.16 1h38 h THR 342 Ca 0.00 -1.17 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 1h38 h THR 342 Cb 0.38 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1h38 h THR 342 CO 0.00 0.20 0.00 2.29 -0.25 0.00 0.00 175.52 177.76 1h38 n LYS 343 N -3.30 1.72 -0.03 4.72 0.00 -0.57 -3.90 118.16 116.80 1h38 n LYS 343 Ca 0.01 -1.06 -0.01 0.00 -0.00 0.00 0.00 58.31 57.24 1h38 n LYS 343 Cb 0.46 -1.44 -0.07 0.00 -0.00 0.00 0.00 35.03 33.99 1h38 n LYS 343 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.40 178.31 1h38 n TRP 344 N 0.28 0.00 -4.50 5.58 7.02 -1.06 -5.02 117.44 119.75 1h38 n TRP 344 Ca 0.17 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.45 1h38 n TRP 344 Cb 0.35 -0.35 -0.14 0.00 -2.42 0.00 0.00 31.31 28.75 1h38 n TRP 344 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1h38 s LYS 345 N -2.37 1.01 0.13 -0.99 1.02 -0.86 -5.03 119.74 112.66 1h38 s LYS 345 Ca -0.04 -0.59 -0.17 0.00 0.02 0.00 0.00 55.97 55.19 1h38 s LYS 345 Cb 0.04 -1.00 -0.02 0.00 -0.52 0.00 0.00 37.83 36.33 1h38 s LYS 345 CO 0.36 0.26 1.71 0.45 -0.92 0.00 0.00 175.35 177.22 1h38 h HIS 346 N 5.46 0.51 -3.69 3.18 3.86 -1.88 -3.35 115.15 119.24 1h38 h HIS 346 Ca -0.35 -0.02 -0.65 0.00 -1.16 0.00 0.00 60.37 58.18 1h38 h HIS 346 Cb 1.17 -0.16 -0.39 0.00 1.06 0.00 0.00 27.41 29.09 1h38 h HIS 346 CO 0.45 0.43 -0.74 0.00 0.86 0.00 0.00 177.93 178.93 1h38 n PRO 348 N 4.34 0.02 -2.93 0.00 -0.02 -1.26 -1.38 135.00 133.77 1h38 n PRO 348 Ca -0.00 0.77 -0.16 0.00 -2.02 0.00 0.00 63.50 62.09 1h38 n PRO 348 Cb 0.42 -2.04 -0.01 0.00 -0.02 0.00 0.00 33.50 31.85 1h38 n PRO 348 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1h38 n VAL 349 N -2.29 0.65 -0.04 -1.45 0.31 -1.26 -4.88 118.33 109.37 1h38 n VAL 349 Ca 0.05 -4.10 -0.02 0.00 -0.01 0.00 0.00 64.34 60.26 1h38 n VAL 349 Cb 0.91 -0.05 -0.07 0.00 -0.91 0.00 0.00 33.84 33.72 1h38 n VAL 349 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1h38 n GLU 350 N 0.07 1.93 -3.28 5.55 -0.58 -0.48 -4.90 120.64 118.94 1h38 n GLU 350 Ca 0.20 -0.03 -0.16 0.00 -0.42 0.00 0.00 57.16 56.76 1h38 n GLU 350 Cb 0.70 -1.24 -0.07 0.00 -0.57 0.00 0.00 31.44 30.27 1h38 n GLU 350 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1h38 s ASP 351 N -3.89 0.71 -0.13 1.62 -0.00 -1.26 -5.12 116.67 108.60 1h38 s ASP 351 Ca -0.04 -1.82 -0.00 0.00 -0.00 0.00 0.00 52.55 50.68 1h38 s ASP 351 Cb 0.04 0.65 -0.02 0.00 -0.00 0.00 0.00 42.92 43.59 1h38 s ASP 351 CO 0.39 -0.21 -0.12 -0.63 -0.00 0.00 0.00 175.17 174.60 1h38 s ILE 352 N 1.13 3.16 -0.80 0.77 1.01 -1.26 -5.03 121.20 120.18 1h38 s ILE 352 Ca 0.21 -0.62 -0.33 0.00 0.00 0.00 0.00 60.65 59.91 1h38 s ILE 352 Cb -0.10 -2.33 -0.20 0.00 0.01 0.00 0.00 42.46 39.84 1h38 s ILE 352 CO -0.06 0.52 2.39 -2.65 0.00 0.00 0.00 174.94 175.15 1h38 n PRO 353 N 3.45 0.00 -5.28 2.79 -0.02 -1.26 -4.94 135.00 129.74 1h38 n PRO 353 Ca -0.18 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 60.99 1h38 n PRO 353 Cb 0.53 -1.41 -0.16 0.00 -0.02 0.00 0.00 33.50 32.43 1h38 n PRO 353 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1h38 s ALA 354 N 7.65 2.14 -1.19 3.55 0.00 -1.26 -5.19 121.76 127.46 1h38 s ALA 354 Ca 1.24 -1.09 -0.15 0.00 0.00 0.00 0.00 51.96 51.95 1h38 s ALA 354 Cb -1.25 -0.57 0.14 0.00 0.00 0.00 0.00 23.12 21.44 1h38 s ALA 354 CO 0.51 0.50 1.46 0.42 0.00 0.00 0.00 175.76 178.65 1h38 s ILE 355 N -0.51 4.79 -0.41 0.00 1.01 -1.26 -5.30 121.20 119.53 1h38 s ILE 355 Ca 0.07 -2.33 -0.15 0.00 0.00 0.00 0.00 60.65 58.24 1h38 s ILE 355 Cb -0.11 -4.96 0.02 0.00 0.01 0.00 0.00 42.46 37.42 1h38 s ILE 355 CO 0.00 -1.70 0.52 -0.62 0.00 0.00 0.00 174.94 173.14 1h38 n GLU 372 N 6.36 -2.51 0.00 2.79 -0.58 -1.26 -5.30 120.64 120.14 1h38 n GLU 372 Ca 0.38 2.18 0.00 0.00 -0.42 0.00 0.00 57.16 59.30 1h38 n GLU 372 Cb 0.44 -5.48 0.00 0.00 -0.57 0.00 0.00 31.44 25.83 1h38 n GLU 372 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1h38 n ALA 373 N -0.15 0.00 -0.29 0.62 0.00 -1.26 -4.31 120.51 115.11 1h38 n ALA 373 Ca 0.10 -0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.56 1h38 n ALA 373 Cb 0.41 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.10 1h38 n ALA 373 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1h38 h LEU 374 N 0.00 0.45 -0.55 0.00 5.85 -2.03 0.41 115.31 119.43 1h38 h LEU 374 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1h38 h LEU 374 Cb 0.00 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1h38 h LEU 374 CO 0.00 0.15 0.00 0.41 -0.34 0.00 0.00 178.44 178.66 1h38 n THR 375 N -4.93 0.00 0.00 1.05 -1.04 -1.26 -0.60 114.28 107.50 1h38 n THR 375 Ca 0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 1h38 n THR 375 Cb 0.49 -0.26 0.00 0.00 -1.82 0.00 0.00 70.33 68.74 1h38 n THR 375 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1h38 n ALA 376 N -0.13 2.21 -0.04 2.41 0.00 0.13 -4.49 120.51 120.60 1h38 n ALA 376 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1h38 n ALA 376 Cb 0.09 0.31 -0.13 0.00 0.00 0.00 0.00 19.45 19.72 1h38 n ALA 376 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 1h38 h TRP 377 N 0.00 0.14 0.00 0.00 -0.00 -0.96 -2.82 115.95 112.31 1h38 h TRP 377 Ca 0.00 -0.09 -0.01 0.00 -0.00 0.00 0.00 58.89 58.79 1h38 h TRP 377 Cb 0.61 -0.01 -0.00 0.00 -0.00 0.00 0.00 29.16 29.76 1h38 h TRP 377 CO 0.00 0.99 -0.04 -0.22 -0.00 0.00 0.00 178.44 179.17 1h38 h LYS 378 N -0.75 0.00 0.24 0.49 1.63 -1.09 -0.38 116.57 116.71 1h38 h LYS 378 Ca -0.03 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1h38 h LYS 378 Cb 1.06 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.69 1h38 h LYS 378 CO 0.03 0.04 -0.12 -0.09 -3.45 0.00 0.00 179.45 175.87 1h38 h ARG 379 N 0.00 -0.32 -0.25 1.90 2.43 -1.67 -1.82 114.38 114.65 1h38 h ARG 379 Ca -0.00 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 1h38 h ARG 379 Cb 0.09 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1h38 h ARG 379 CO 0.01 -0.06 -0.05 0.00 -1.51 0.00 0.00 179.97 178.35 1h38 h ALA 380 N 0.15 1.45 0.19 2.80 0.00 -1.08 -2.75 119.26 120.02 1h38 h ALA 380 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1h38 h ALA 380 Cb 0.40 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1h38 h ALA 380 CO 0.06 0.39 -0.20 0.00 0.00 0.00 0.00 179.25 179.49 1h38 h ALA 381 N 1.58 -0.40 -0.05 0.00 0.00 -0.90 -1.13 119.26 118.36 1h38 h ALA 381 Ca 0.08 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1h38 h ALA 381 Cb 0.33 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1h38 h ALA 381 CO 0.01 -0.75 0.07 0.00 0.00 0.00 0.00 179.25 178.58 1h38 h ALA 382 N 0.31 1.49 -0.00 0.00 0.00 -1.06 -1.31 119.26 118.69 1h38 h ALA 382 Ca 0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1h38 h ALA 382 Cb 0.41 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.21 1h38 h ALA 382 CO -0.05 -0.10 -0.49 0.00 0.00 0.00 0.00 179.25 178.61 1h38 h ALA 383 N 1.91 0.06 -0.98 0.00 0.00 -0.98 -2.56 119.26 116.71 1h38 h ALA 383 Ca 0.02 -0.54 0.13 0.00 0.00 0.00 0.00 54.91 54.52 1h38 h ALA 383 Cb 0.16 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 1h38 h ALA 383 CO -0.00 0.27 0.62 0.28 0.00 0.00 0.00 179.25 180.42 1h38 h VAL 384 N -0.22 0.90 0.14 0.00 2.07 -0.10 0.34 116.25 119.37 1h38 h VAL 384 Ca -0.06 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1h38 h VAL 384 Cb 1.22 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1h38 h VAL 384 CO 0.10 0.17 -0.07 0.22 0.02 0.00 0.00 177.57 178.01 1h38 h TYR 385 N 0.93 -0.17 -0.51 1.57 -0.00 -1.49 -2.52 116.97 114.78 1h38 h TYR 385 Ca 0.49 -0.00 0.05 0.00 -0.00 0.00 0.00 58.73 59.26 1h38 h TYR 385 Cb 0.54 0.06 -0.05 0.00 -0.00 0.00 0.00 36.73 37.28 1h38 h TYR 385 CO -0.00 0.14 0.24 -0.09 -0.00 0.00 0.00 178.16 178.45 1h38 h ARG 386 N -0.49 0.45 -0.59 1.82 2.43 -0.88 -1.39 114.38 115.71 1h38 h ARG 386 Ca -0.02 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.16 1h38 h ARG 386 Cb 0.39 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.80 1h38 h ARG 386 CO 0.03 0.30 0.34 -0.22 -1.51 0.00 0.00 179.97 178.91 1h38 h LYS 387 N 0.46 0.65 -0.51 0.20 3.64 -0.34 0.40 116.57 121.07 1h38 h LYS 387 Ca 0.23 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.47 1h38 h LYS 387 Cb 0.17 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1h38 h LYS 387 CO -0.18 0.43 -0.10 0.22 -2.27 0.00 0.00 179.45 177.55 1h38 h ASP 388 N 0.67 0.93 -0.87 4.20 1.82 -0.99 -0.45 116.42 121.72 1h38 h ASP 388 Ca 0.25 -0.29 -0.01 0.00 -0.39 0.00 0.00 57.03 56.59 1h38 h ASP 388 Cb 0.08 -0.25 -0.04 0.00 0.68 0.00 0.00 39.33 39.80 1h38 h ASP 388 CO -0.13 1.04 0.52 0.50 -1.61 0.00 0.00 179.24 179.57 1h38 h LYS 389 N 0.84 1.18 -0.15 0.28 3.64 -0.58 -2.03 116.57 119.75 1h38 h LYS 389 Ca 0.14 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1h38 h LYS 389 Cb 0.63 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1h38 h LYS 389 CO 0.04 0.83 0.08 0.00 -2.27 0.00 0.00 179.45 178.13 1h38 h ALA 390 N 1.28 0.19 -0.15 5.00 0.00 -0.44 -1.36 119.26 123.79 1h38 h ALA 390 Ca 0.31 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.21 1h38 h ALA 390 Cb -0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1h38 h ALA 390 CO -0.06 -0.27 0.15 -0.09 0.00 0.00 0.00 179.25 178.98 1h38 h ARG 391 N 0.14 0.00 0.20 0.00 2.43 -0.75 0.11 114.38 116.51 1h38 h ARG 391 Ca 0.05 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.95 1h38 h ARG 391 Cb 0.07 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.65 1h38 h ARG 391 CO -0.01 0.00 -1.19 0.87 -1.51 0.00 0.00 179.97 178.13 1h38 h LYS 392 N 0.00 0.41 -0.45 0.20 1.57 -0.72 -2.99 116.57 114.59 1h38 h LYS 392 Ca 0.07 -0.71 -0.08 0.00 -1.87 0.00 0.00 60.65 58.06 1h38 h LYS 392 Cb 0.36 0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 1h38 h LYS 392 CO -0.00 1.34 -0.04 0.77 -0.57 0.00 0.00 179.45 180.95 1h38 h SER 393 N -0.11 0.82 -0.59 0.86 0.02 -0.25 -2.46 113.55 111.84 1h38 h SER 393 Ca -0.21 -0.33 -0.02 0.00 -0.84 0.00 0.00 61.79 60.39 1h38 h SER 393 Cb 1.91 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 64.20 1h38 h SER 393 CO 0.21 0.95 0.30 0.03 -1.14 0.00 0.00 176.83 177.18 1h38 h ARG 394 N 0.67 0.87 -0.62 3.45 3.08 -0.93 -2.47 114.38 118.42 1h38 h ARG 394 Ca 0.12 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 1h38 h ARG 394 Cb 0.55 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1h38 h ARG 394 CO 0.03 0.67 0.02 -0.09 -1.07 0.00 0.00 179.97 179.54 1h38 h ARG 395 N 0.87 1.08 -0.04 0.04 9.65 -1.34 -0.90 114.38 123.74 1h38 h ARG 395 Ca 0.22 -0.33 0.03 0.00 -1.10 0.00 0.00 59.98 58.80 1h38 h ARG 395 Cb 0.08 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.51 1h38 h ARG 395 CO -0.03 1.04 -0.21 0.82 2.80 0.00 0.00 179.97 184.39 1h38 h ILE 396 N 0.99 0.50 -0.37 1.20 1.08 -0.99 -0.09 117.51 119.84 1h38 h ILE 396 Ca 0.18 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.65 1h38 h ILE 396 Cb 0.53 0.50 -0.02 0.00 -3.07 0.00 0.00 36.82 34.77 1h38 h ILE 396 CO 0.03 0.00 0.22 -1.28 -0.69 0.00 0.00 178.15 176.43 1h38 h SER 397 N -0.31 0.45 -0.59 1.72 0.87 -1.42 -2.00 113.55 112.27 1h38 h SER 397 Ca 0.07 -0.05 0.05 0.00 -1.23 0.00 0.00 61.79 60.63 1h38 h SER 397 Cb 0.41 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.21 1h38 h SER 397 CO -0.22 0.37 0.31 0.25 -0.53 0.00 0.00 176.83 177.00 1h38 h LEU 398 N 0.49 0.44 -0.91 2.23 6.46 -0.72 -1.69 115.31 121.61 1h38 h LEU 398 Ca 0.13 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 1h38 h LEU 398 Cb 0.00 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 39.84 1h38 h LEU 398 CO -0.03 0.29 0.57 -0.33 -0.62 0.00 0.00 178.44 178.33 1h38 h GLU 399 N 0.58 1.22 0.60 1.25 5.08 -0.66 -1.67 114.58 120.98 1h38 h GLU 399 Ca 0.26 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1h38 h GLU 399 Cb 0.17 -0.26 0.01 0.00 0.50 0.00 0.00 28.75 29.16 1h38 h GLU 399 CO -0.18 0.83 -0.29 0.35 -1.00 0.00 0.00 179.01 178.73 1h38 h PHE 400 N 1.24 -0.75 -0.43 4.33 3.04 -0.60 -1.12 116.94 122.66 1h38 h PHE 400 Ca 0.33 -0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.32 1h38 h PHE 400 Cb -0.09 0.25 -0.05 0.00 2.56 0.00 0.00 35.95 38.62 1h38 h PHE 400 CO -0.00 -0.45 0.12 0.52 -2.02 0.00 0.00 178.31 176.48 1h38 h MET 401 N -0.85 0.26 -0.70 1.11 0.00 -1.24 0.12 114.93 113.63 1h38 h MET 401 Ca -0.08 -0.02 0.07 0.00 0.00 0.00 0.00 59.70 59.67 1h38 h MET 401 Cb 0.63 -0.06 -0.06 0.00 0.00 0.00 0.00 31.60 32.12 1h38 h MET 401 CO 0.14 0.17 0.39 -0.07 0.00 0.00 0.00 176.91 177.53 1h38 h LEU 402 N 0.27 0.56 -0.18 1.22 3.38 -1.23 0.67 115.31 120.00 1h38 h LEU 402 Ca 0.21 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 1h38 h LEU 402 Cb 0.23 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1h38 h LEU 402 CO -0.24 0.35 0.11 -0.08 0.09 0.00 0.00 178.44 178.67 1h38 h GLU 403 N 0.70 0.25 -0.71 1.13 4.81 -0.34 -0.71 114.58 119.70 1h38 h GLU 403 Ca 0.32 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.51 1h38 h GLU 403 Cb 0.23 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 1h38 h GLU 403 CO -0.20 0.20 0.37 0.37 -0.73 0.00 0.00 179.01 179.02 1h38 h GLN 404 N 0.22 0.99 0.47 1.92 5.75 0.45 -1.08 115.11 123.83 1h38 h GLN 404 Ca 0.07 -0.12 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 1h38 h GLN 404 Cb 0.02 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.38 1h38 h GLN 404 CO -0.01 0.74 -0.23 0.00 -2.65 0.00 0.00 178.83 176.69 1h38 h ALA 405 N 1.41 -0.63 -0.52 3.38 0.00 0.72 -2.97 119.26 120.64 1h38 h ALA 405 Ca 0.25 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1h38 h ALA 405 Cb 0.05 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1h38 h ALA 405 CO -0.04 -0.77 0.35 -0.91 0.00 0.00 0.00 179.25 177.88 1h38 h ASN 406 N -0.80 0.44 -0.90 0.00 2.35 -0.96 -0.64 115.58 115.06 1h38 h ASN 406 Ca -0.06 -0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.76 1h38 h ASN 406 Cb 0.56 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.77 1h38 h ASN 406 CO 0.11 0.29 0.58 0.50 -1.65 0.00 0.00 177.43 177.26 1h38 h LYS 407 N 0.51 0.93 -0.41 0.81 3.64 -1.04 -2.40 116.57 118.60 1h38 h LYS 407 Ca 0.22 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1h38 h LYS 407 Cb 0.24 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1h38 h LYS 407 CO -0.06 0.62 0.00 1.19 -2.27 0.00 0.00 179.45 178.93 1h38 n PHE 408 N -4.51 0.77 -0.27 1.91 3.72 -0.59 -4.63 117.46 113.86 1h38 n PHE 408 Ca 0.14 -0.60 0.29 0.00 -0.05 0.00 0.00 57.45 57.24 1h38 n PHE 408 Cb 0.25 -0.12 0.67 0.00 -0.94 0.00 0.00 39.48 39.34 1h38 n PHE 408 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1h38 h ALA 409 N 2.51 2.76 -0.02 4.37 0.00 -0.62 -2.36 119.26 125.91 1h38 h ALA 409 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1h38 h ALA 409 Cb 1.02 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1h38 h ALA 409 CO 0.08 -1.08 -0.36 0.09 0.00 0.00 0.00 179.25 177.98 1h38 n ASN 410 N -4.34 1.95 -4.77 0.00 5.03 -1.26 -4.74 115.26 107.13 1h38 n ASN 410 Ca 0.23 -1.48 -0.37 0.00 0.87 0.00 0.00 54.58 53.83 1h38 n ASN 410 Cb 1.03 0.42 -0.01 0.00 -1.02 0.00 0.00 39.78 40.20 1h38 n ASN 410 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1h38 s HIS 411 N -2.15 2.87 -0.90 3.10 3.76 -0.89 -4.88 115.29 116.20 1h38 s HIS 411 Ca 0.17 1.54 0.19 0.00 -0.15 0.00 0.00 55.06 56.81 1h38 s HIS 411 Cb 0.16 -3.37 0.80 0.00 1.11 0.00 0.00 32.58 31.28 1h38 s HIS 411 CO 0.47 -1.49 1.61 1.17 -0.85 0.00 0.00 174.74 175.64 1h38 n LYS 412 N -0.53 0.05 0.00 1.40 4.81 -1.26 -4.76 118.16 117.86 1h38 n LYS 412 Ca 0.07 0.23 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 1h38 n LYS 412 Cb 0.48 -1.58 0.00 0.00 0.02 0.00 0.00 35.03 33.96 1h38 n LYS 412 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1h38 n ALA 413 N -1.56 0.00 -2.67 3.14 0.00 -1.26 -4.85 120.51 113.32 1h38 n ALA 413 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.40 1h38 n ALA 413 Cb 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.57 1h38 n ALA 413 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1h38 s ILE 414 N -2.00 0.15 0.23 0.00 -4.36 0.22 -4.81 121.20 110.64 1h38 s ILE 414 Ca 0.00 -1.22 0.06 0.00 -0.26 0.00 0.00 60.65 59.23 1h38 s ILE 414 Cb 0.00 -0.73 -0.05 0.00 1.25 0.00 0.00 42.46 42.93 1h38 s ILE 414 CO 0.00 -0.67 -0.08 0.26 0.24 0.00 0.00 174.94 174.69 1h38 s TRP 415 N -2.35 1.73 -0.12 1.37 0.51 -0.05 -0.75 118.94 119.28 1h38 s TRP 415 Ca -0.08 -0.72 0.00 0.00 -2.12 0.00 0.00 56.10 53.19 1h38 s TRP 415 Cb -0.03 -0.93 0.02 0.00 -0.81 0.00 0.00 33.47 31.72 1h38 s TRP 415 CO -0.04 0.22 -0.11 -0.06 -0.51 0.00 0.00 176.95 176.45 1h38 s PHE 416 N -3.12 1.73 0.77 -1.98 0.08 -1.26 -0.49 117.98 113.71 1h38 s PHE 416 Ca 0.26 -0.88 -0.12 0.00 0.12 0.00 0.00 56.93 56.32 1h38 s PHE 416 Cb 0.03 -1.34 0.06 0.00 -0.57 0.00 0.00 43.02 41.19 1h38 s PHE 416 CO 0.09 -0.53 1.11 -1.25 -0.10 0.00 0.00 175.22 174.54 1h38 s PRO 417 N 1.45 2.21 0.05 0.24 0.04 -1.26 -4.59 135.00 133.13 1h38 s PRO 417 Ca 0.02 1.29 0.03 0.00 0.04 0.00 0.00 61.00 62.38 1h38 s PRO 417 Cb -0.13 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 1h38 s PRO 417 CO -0.07 -1.70 -0.10 0.71 0.04 0.00 0.00 177.00 175.88 1h38 s TYR 418 N -2.72 0.88 0.05 0.56 1.51 -1.26 -1.13 117.35 115.24 1h38 s TYR 418 Ca 0.64 -0.43 0.00 0.00 -1.01 0.00 0.00 57.07 56.27 1h38 s TYR 418 Cb -0.19 -0.51 -0.00 0.00 -0.11 0.00 0.00 41.96 41.14 1h38 s TYR 418 CO 0.53 -0.02 0.02 0.09 -1.11 0.00 0.00 175.55 175.05 1h38 n ASN 419 N 1.60 1.12 -3.87 2.29 5.03 -0.59 -4.91 115.26 115.94 1h38 n ASN 419 Ca -0.21 -1.26 -0.11 0.00 0.87 0.00 0.00 54.58 53.87 1h38 n ASN 419 Cb 0.55 0.12 -0.10 0.00 -1.02 0.00 0.00 39.78 39.32 1h38 n ASN 419 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1h38 s MET 420 N -2.19 0.43 0.89 3.52 -1.94 -1.18 -1.37 119.30 117.46 1h38 s MET 420 Ca 0.02 -0.32 -0.14 0.00 -1.71 0.00 0.00 55.69 53.54 1h38 s MET 420 Cb 0.00 0.18 0.15 0.00 2.01 0.00 0.00 34.83 37.17 1h38 s MET 420 CO 0.02 -0.10 1.26 0.16 -0.01 0.00 0.00 175.02 176.34 1h38 s ASP 421 N -1.18 3.69 0.00 3.03 1.47 -0.54 -0.68 116.67 122.46 1h38 s ASP 421 Ca -0.13 0.44 0.00 0.00 1.18 0.00 0.00 52.55 54.05 1h38 s ASP 421 Cb -0.07 -0.67 0.00 0.00 -0.34 0.00 0.00 42.92 41.84 1h38 s ASP 421 CO 0.01 -2.38 0.88 -2.67 0.68 0.00 0.00 175.17 171.69 1h38 n TRP 422 N -3.56 0.00 0.85 2.11 2.14 -1.21 -0.52 117.44 117.25 1h38 n TRP 422 Ca 0.12 0.00 0.09 0.00 2.07 0.00 0.00 57.50 59.78 1h38 n TRP 422 Cb 0.60 -0.38 -0.08 0.00 -0.81 0.00 0.00 31.31 30.65 1h38 n TRP 422 CO 0.00 0.00 0.00 0.54 2.07 0.00 0.00 177.69 180.30 1h38 n ARG 423 N -1.38 1.17 0.00 -2.67 1.74 -1.26 -4.58 116.66 109.68 1h38 n ARG 423 Ca 0.00 -0.24 0.00 0.00 -0.77 0.00 0.00 57.85 56.84 1h38 n ARG 423 Cb 0.11 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 1h38 n ARG 423 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1h38 n GLY 424 N 1.38 0.60 3.76 -0.13 0.00 0.32 -3.95 105.19 107.18 1h38 n GLY 424 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1h38 n GLY 424 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h38 s ARG 425 N -0.68 4.50 -0.11 1.61 0.52 -1.26 -4.75 118.95 118.79 1h38 s ARG 425 Ca 0.00 1.88 -0.22 0.00 -0.52 0.00 0.00 55.73 56.87 1h38 s ARG 425 Cb 0.00 -3.08 -0.03 0.00 0.52 0.00 0.00 34.95 32.36 1h38 s ARG 425 CO 0.00 0.06 0.65 0.08 0.02 0.00 0.00 175.30 176.10 1h38 s VAL 426 N -1.21 5.07 -0.06 3.52 1.01 -1.26 -1.47 120.40 126.00 1h38 s VAL 426 Ca 0.47 1.30 0.04 0.00 0.00 0.00 0.00 61.98 63.80 1h38 s VAL 426 Cb -0.33 -3.98 -0.00 0.00 0.00 0.00 0.00 36.38 32.07 1h38 s VAL 426 CO 0.43 0.23 -0.18 -0.31 0.00 0.00 0.00 175.10 175.27 1h38 s TYR 427 N 1.02 1.88 0.41 5.22 1.51 -0.47 -4.71 117.35 122.20 1h38 s TYR 427 Ca 0.33 -0.60 -0.25 0.00 -1.01 0.00 0.00 57.07 55.55 1h38 s TYR 427 Cb -0.17 -1.27 -0.08 0.00 -0.11 0.00 0.00 41.96 40.33 1h38 s TYR 427 CO 0.15 -0.23 1.14 0.00 -1.11 0.00 0.00 175.55 175.50 1h38 s ALA 428 N 0.16 3.11 -0.04 3.71 0.00 -1.26 -1.54 121.76 125.89 1h38 s ALA 428 Ca -0.08 0.90 -0.17 0.00 0.00 0.00 0.00 51.96 52.61 1h38 s ALA 428 Cb -0.13 -3.35 -0.31 0.00 0.00 0.00 0.00 23.12 19.32 1h38 s ALA 428 CO 0.04 -0.47 0.79 0.28 0.00 0.00 0.00 175.76 176.40 1h38 h VAL 429 N 2.22 1.23 -3.94 0.00 2.07 -1.45 -3.47 116.25 112.92 1h38 h VAL 429 Ca -0.49 -2.54 -0.52 0.00 0.82 0.00 0.00 66.70 63.98 1h38 h VAL 429 Cb 1.23 2.96 0.07 0.00 -1.52 0.00 0.00 31.29 34.03 1h38 h VAL 429 CO 0.62 0.76 0.55 -0.94 0.02 0.00 0.00 177.57 178.58 1h38 s SER 430 N -7.20 6.43 0.29 0.57 1.04 -1.26 -4.87 113.70 108.70 1h38 s SER 430 Ca -0.15 2.49 0.03 0.00 0.48 0.00 0.00 55.95 58.80 1h38 s SER 430 Cb 0.03 -2.63 0.69 0.00 0.10 0.00 0.00 66.02 64.21 1h38 s SER 430 CO 0.85 -0.75 1.71 0.24 0.98 0.00 0.00 173.24 176.27 1h38 h MET 431 N 2.68 0.45 -5.28 4.02 0.00 -1.80 -3.29 114.93 111.71 1h38 h MET 431 Ca -0.49 -0.03 -0.66 0.00 0.00 0.00 0.00 59.70 58.52 1h38 h MET 431 Cb 1.24 -0.10 -0.16 0.00 0.00 0.00 0.00 31.60 32.58 1h38 h MET 431 CO 0.63 0.30 0.17 0.12 0.00 0.00 0.00 176.91 178.12 1h38 s PHE 432 N -5.90 3.00 0.20 -0.22 5.36 -1.26 -5.01 117.98 114.15 1h38 s PHE 432 Ca -0.12 -0.28 -0.09 0.00 -0.96 0.00 0.00 56.93 55.49 1h38 s PHE 432 Cb 0.24 -3.58 -0.01 0.00 -0.34 0.00 0.00 43.02 39.34 1h38 s PHE 432 CO 0.78 -1.04 0.32 0.54 -1.46 0.00 0.00 175.22 174.36 1h38 s ASN 433 N 2.49 0.02 0.47 6.13 2.20 -1.24 -4.76 114.94 120.25 1h38 s ASN 433 Ca 0.20 -0.97 0.29 0.00 -0.94 0.00 0.00 52.86 51.44 1h38 s ASN 433 Cb -0.16 0.47 1.56 0.00 -2.00 0.00 0.00 41.25 41.12 1h38 s ASN 433 CO 0.16 -0.96 1.86 -0.65 -2.94 0.00 0.00 177.10 174.57 1h38 h PRO 434 N 2.47 0.00 -0.85 3.55 0.11 -1.93 -2.13 132.00 133.22 1h38 h PRO 434 Ca -0.31 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.73 1h38 h PRO 434 Cb 1.24 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.30 1h38 h PRO 434 CO 0.45 0.00 0.10 1.04 -0.21 0.00 0.00 178.00 179.38 1h38 n GLN 435 N -2.56 2.55 0.00 1.05 6.02 -1.26 -4.72 117.38 118.45 1h38 n GLN 435 Ca -0.02 -1.54 0.00 0.00 -0.01 0.00 0.00 57.00 55.43 1h38 n GLN 435 Cb 0.13 -1.79 0.00 0.00 1.02 0.00 0.00 30.24 29.60 1h38 n GLN 435 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1h38 n GLY 436 N 0.12 0.75 3.14 1.08 0.00 -0.80 -5.08 105.19 104.40 1h38 n GLY 436 Ca 0.18 -1.38 -0.22 0.00 0.00 0.00 0.00 46.02 44.60 1h38 n GLY 436 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1h38 n ASN 437 N 0.00 2.54 -0.28 1.61 2.04 -1.26 -4.80 115.26 115.11 1h38 n ASN 437 Ca 0.00 -2.60 -0.06 0.00 -0.44 0.00 0.00 54.58 51.48 1h38 n ASN 437 Cb 0.00 0.00 -0.01 0.00 -2.53 0.00 0.00 39.78 37.24 1h38 n ASN 437 CO 0.00 0.00 0.00 -0.78 -0.44 0.00 0.00 177.26 176.04 1h38 h ASP 438 N 0.60 -1.49 0.04 0.53 3.58 -1.98 0.53 116.42 118.22 1h38 h ASP 438 Ca -0.30 0.27 -0.00 0.00 0.42 0.00 0.00 57.03 57.42 1h38 h ASP 438 Cb 1.06 0.72 0.00 0.00 1.72 0.00 0.00 39.33 42.82 1h38 h ASP 438 CO 0.47 -0.30 -0.02 -0.03 -2.88 0.00 0.00 179.24 176.48 1h38 h MET 439 N -0.12 -0.05 0.25 0.28 4.05 -1.96 0.49 114.93 117.87 1h38 h MET 439 Ca 0.24 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.67 1h38 h MET 439 Cb 0.56 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.33 1h38 h MET 439 CO -0.81 0.10 -0.37 1.15 0.23 0.00 0.00 176.91 177.21 1h38 h THR 440 N -0.19 0.24 -0.74 -0.77 2.02 -1.68 0.91 112.91 112.71 1h38 h THR 440 Ca -0.01 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.22 1h38 h THR 440 Cb 0.17 0.24 -0.05 0.00 -1.74 0.00 0.00 68.15 66.77 1h38 h THR 440 CO 0.01 0.00 0.44 0.11 0.37 0.00 0.00 175.52 176.45 1h38 h LYS 441 N -0.68 0.81 -0.61 6.66 1.57 0.14 -1.08 116.57 123.37 1h38 h LYS 441 Ca -0.00 -0.05 0.08 0.00 -1.87 0.00 0.00 60.65 58.81 1h38 h LYS 441 Cb 0.66 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 1h38 h LYS 441 CO -0.14 0.53 0.41 0.78 -0.57 0.00 0.00 179.45 180.46 1h38 h GLY 442 N 0.83 0.66 2.00 3.86 0.00 0.75 -0.19 103.07 110.98 1h38 h GLY 442 Ca 0.32 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1h38 h GLY 442 CO -0.15 0.13 0.00 1.04 0.00 0.00 0.00 176.54 177.56 1h38 n LEU 443 N -4.48 0.32 -4.66 3.11 4.77 0.24 -4.63 117.00 111.67 1h38 n LEU 443 Ca 0.09 0.54 -0.34 0.00 -0.03 0.00 0.00 56.01 56.28 1h38 n LEU 443 Cb 0.31 -0.45 -0.10 0.00 -2.33 0.00 0.00 43.42 40.86 1h38 n LEU 443 CO 0.34 -0.14 -0.33 -0.76 -1.33 0.00 0.00 177.39 175.17 1h38 s LEU 444 N -3.61 3.45 0.07 2.23 1.43 -0.08 0.52 118.68 122.69 1h38 s LEU 444 Ca 0.11 0.03 -0.14 0.00 -1.03 0.00 0.00 54.13 53.10 1h38 s LEU 444 Cb 0.15 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.52 1h38 s LEU 444 CO 0.51 0.33 0.33 0.28 0.23 0.00 0.00 176.35 178.03 1h38 s THR 445 N -0.96 0.08 0.36 5.49 -1.32 -0.11 -4.74 115.64 114.44 1h38 s THR 445 Ca 0.16 -0.68 -0.27 0.00 -1.21 0.00 0.00 61.69 59.68 1h38 s THR 445 Cb -0.11 -1.05 -0.09 0.00 -1.51 0.00 0.00 72.50 69.73 1h38 s THR 445 CO 0.06 -0.38 1.25 -0.76 -2.21 0.00 0.00 174.62 172.58 1h38 s LEU 446 N -2.34 4.34 0.06 9.08 1.43 -1.07 0.03 118.68 130.21 1h38 s LEU 446 Ca -0.02 2.56 -0.12 0.00 -1.03 0.00 0.00 54.13 55.51 1h38 s LEU 446 Cb 0.01 -3.79 -0.30 0.00 0.03 0.00 0.00 46.19 42.14 1h38 s LEU 446 CO -0.06 -0.59 1.09 0.00 0.23 0.00 0.00 176.35 177.01 1h38 h ALA 447 N 3.10 -0.01 -2.60 4.21 0.00 -1.11 -3.43 119.26 119.41 1h38 h ALA 447 Ca -0.49 -0.82 -0.73 0.00 0.00 0.00 0.00 54.91 52.88 1h38 h ALA 447 Cb 1.23 0.11 -0.28 0.00 0.00 0.00 0.00 17.79 18.85 1h38 h ALA 447 CO 0.64 0.75 -0.39 -1.59 0.00 0.00 0.00 179.25 178.66 1h38 s LYS 448 N -2.82 2.61 0.44 0.00 -2.85 -1.26 -5.01 119.74 110.85 1h38 s LYS 448 Ca -0.08 -1.63 0.06 0.00 -1.00 0.00 0.00 55.97 53.33 1h38 s LYS 448 Cb 0.06 -3.94 0.07 0.00 -2.06 0.00 0.00 37.83 31.96 1h38 s LYS 448 CO 0.93 -1.12 0.60 0.41 0.10 0.00 0.00 175.35 176.27 1h38 n GLY 449 N 4.97 1.84 3.20 0.59 0.00 -1.26 -4.90 105.19 109.64 1h38 n GLY 449 Ca -0.10 -2.18 -0.10 0.00 0.00 0.00 0.00 46.02 43.64 1h38 n GLY 449 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h38 s LYS 450 N -3.98 0.98 0.12 1.61 1.02 -0.85 -4.87 119.74 113.77 1h38 s LYS 450 Ca 0.45 -1.35 -0.32 0.00 0.02 0.00 0.00 55.97 54.78 1h38 s LYS 450 Cb -0.03 0.28 -0.11 0.00 -0.52 0.00 0.00 37.83 37.45 1h38 s LYS 450 CO 0.29 -0.30 1.83 -2.30 -0.92 0.00 0.00 175.35 173.94 1h38 n PRO 451 N -0.12 2.74 -0.06 -1.68 -0.02 -1.26 -1.67 135.00 132.93 1h38 n PRO 451 Ca -0.06 1.00 -0.08 0.00 -2.02 0.00 0.00 63.50 62.33 1h38 n PRO 451 Cb 0.63 -2.88 -0.02 0.00 -0.02 0.00 0.00 33.50 31.21 1h38 n PRO 451 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1h38 h ILE 452 N 4.63 0.93 -1.39 4.25 2.10 -1.08 -3.43 117.51 123.52 1h38 h ILE 452 Ca -0.46 -0.06 0.15 0.00 1.08 0.00 0.00 64.86 65.56 1h38 h ILE 452 Cb 1.23 0.73 -0.06 0.00 -1.09 0.00 0.00 36.82 37.62 1h38 h ILE 452 CO 0.95 0.03 -0.40 0.61 -1.08 0.00 0.00 178.15 178.26 1h38 n GLY 453 N -1.18 -2.37 0.15 8.18 0.00 0.34 -2.92 105.19 107.38 1h38 n GLY 453 Ca -0.02 -1.33 -0.09 0.00 0.00 0.00 0.00 46.02 44.59 1h38 n GLY 453 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1h38 h LYS 454 N -0.57 0.42 0.14 1.61 2.10 -1.94 -1.57 116.57 116.75 1h38 h LYS 454 Ca -0.05 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.57 1h38 h LYS 454 Cb 0.56 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 31.79 1h38 h LYS 454 CO 0.02 0.31 -0.10 1.49 -2.00 0.00 0.00 179.45 179.17 1h38 h GLU 455 N 0.41 -0.24 -0.78 0.07 4.57 -1.97 -1.87 114.58 114.77 1h38 h GLU 455 Ca 0.11 0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.36 1h38 h GLU 455 Cb -0.01 0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 28.58 1h38 h GLU 455 CO -0.02 -0.16 0.47 0.78 -1.18 0.00 0.00 179.01 178.90 1h38 h GLY 456 N -0.25 1.15 0.66 1.92 0.00 -1.42 -1.32 103.07 103.82 1h38 h GLY 456 Ca -0.01 -0.34 0.05 0.00 0.00 0.00 0.00 47.33 47.04 1h38 h GLY 456 CO -0.00 0.23 0.26 -1.82 0.00 0.00 0.00 176.54 175.21 1h38 h TYR 457 N 0.86 0.47 -0.38 5.60 3.20 -1.06 0.27 116.97 125.94 1h38 h TYR 457 Ca 0.34 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.30 1h38 h TYR 457 Cb 0.15 -0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.23 1h38 h TYR 457 CO -0.05 0.21 0.03 -0.92 -1.64 0.00 0.00 178.16 175.79 1h38 h TYR 458 N 0.50 0.03 -0.31 -3.82 3.20 -0.42 -1.02 116.97 115.12 1h38 h TYR 458 Ca 0.25 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.03 1h38 h TYR 458 Cb 0.18 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 1h38 h TYR 458 CO -0.11 -0.04 -0.26 -1.49 -1.64 0.00 0.00 178.16 174.62 1h38 h TRP 459 N 0.14 0.71 -0.62 -3.82 -0.00 -0.61 -1.93 115.95 109.82 1h38 h TRP 459 Ca 0.19 -0.16 0.09 0.00 -0.00 0.00 0.00 58.89 59.00 1h38 h TRP 459 Cb 0.25 -0.17 -0.07 0.00 -0.00 0.00 0.00 29.16 29.17 1h38 h TRP 459 CO -0.24 0.83 0.27 1.25 -0.00 0.00 0.00 178.44 180.55 1h38 h LEU 460 N 0.55 0.32 -0.24 -4.49 5.85 0.69 -1.03 115.31 116.95 1h38 h LEU 460 Ca 0.07 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1h38 h LEU 460 Cb 0.73 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 1h38 h LEU 460 CO 0.06 0.19 0.10 0.11 -0.34 0.00 0.00 178.44 178.56 1h38 h LYS 461 N 0.48 0.36 -0.39 1.25 1.57 -0.92 -1.96 116.57 116.96 1h38 h LYS 461 Ca 0.31 -0.06 0.07 0.00 -1.87 0.00 0.00 60.65 59.09 1h38 h LYS 461 Cb 0.34 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.53 1h38 h LYS 461 CO -0.27 0.40 0.04 0.82 -0.57 0.00 0.00 179.45 179.87 1h38 h ILE 462 N 0.25 0.76 -0.80 1.86 1.08 -0.59 -0.48 117.51 119.59 1h38 h ILE 462 Ca 0.08 -0.05 0.13 0.00 -0.39 0.00 0.00 64.86 64.62 1h38 h ILE 462 Cb 0.17 0.58 -0.09 0.00 -3.07 0.00 0.00 36.82 34.41 1h38 h ILE 462 CO -0.01 0.03 0.40 -0.74 -0.69 0.00 0.00 178.15 177.14 1h38 h HIS 463 N 0.16 0.70 -0.19 1.37 2.76 -1.02 -0.52 115.15 118.41 1h38 h HIS 463 Ca 0.19 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 1h38 h HIS 463 Cb 0.25 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 1h38 h HIS 463 CO -0.23 0.19 0.13 0.78 -1.30 0.00 0.00 177.93 177.50 1h38 h GLY 464 N 0.61 0.27 0.49 5.26 0.00 -0.35 0.78 103.07 110.12 1h38 h GLY 464 Ca 0.42 -0.10 0.09 0.00 0.00 0.00 0.00 47.33 47.74 1h38 h GLY 464 CO -0.33 0.10 0.38 0.00 0.00 0.00 0.00 176.54 176.69 1h38 h ALA 465 N 1.07 1.03 -0.32 3.60 0.00 -0.01 -1.30 119.26 123.33 1h38 h ALA 465 Ca 0.07 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1h38 h ALA 465 Cb -0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1h38 h ALA 465 CO -0.02 -0.01 0.12 -0.91 0.00 0.00 0.00 179.25 178.44 1h38 h ASN 466 N 0.65 0.45 -0.01 0.00 2.35 -0.44 0.11 115.58 118.69 1h38 h ASN 466 Ca 0.36 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1h38 h ASN 466 Cb 0.36 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 1h38 h ASN 466 CO -0.26 0.50 0.01 0.00 -1.65 0.00 0.00 177.43 176.03 1h38 n ALA 468 N -2.35 2.93 -0.29 0.00 0.00 -0.56 -1.38 120.51 118.86 1h38 n ALA 468 Ca -0.03 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1h38 n ALA 468 Cb 0.09 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1h38 n ALA 468 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h38 n GLY 469 N 1.31 0.71 2.83 0.00 0.00 0.10 -4.13 105.19 106.01 1h38 n GLY 469 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1h38 n GLY 469 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1h38 n VAL 470 N -2.08 4.88 -0.00 1.61 0.31 0.31 -4.50 118.33 118.85 1h38 n VAL 470 Ca 0.00 -4.91 0.00 0.00 -0.01 0.00 0.00 64.34 59.42 1h38 n VAL 470 Cb 0.00 -2.18 0.00 0.00 -0.91 0.00 0.00 33.84 30.75 1h38 n VAL 470 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1h38 n ASP 471 N 2.57 1.82 -1.51 4.52 5.68 -1.26 -4.12 116.55 124.25 1h38 n ASP 471 Ca 0.40 -1.81 -0.12 0.00 -0.50 0.00 0.00 54.79 52.75 1h38 n ASP 471 Cb 0.33 -0.00 0.15 0.00 -1.14 0.00 0.00 41.12 40.46 1h38 n ASP 471 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1h38 n LYS 472 N -0.40 2.27 -3.85 0.11 3.00 -1.26 -4.98 118.16 113.05 1h38 n LYS 472 Ca 0.00 -3.38 -0.11 0.00 -0.00 0.00 0.00 58.31 54.82 1h38 n LYS 472 Cb 0.20 -1.97 -0.09 0.00 0.00 0.00 0.00 35.03 33.17 1h38 n LYS 472 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1h38 s VAL 473 N -3.69 0.09 0.65 3.15 0.11 -1.26 -4.68 120.40 114.77 1h38 s VAL 473 Ca 0.49 -0.73 -0.17 0.00 -2.93 0.00 0.00 61.98 58.63 1h38 s VAL 473 Cb 0.42 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.64 1h38 s VAL 473 CO 0.01 -0.40 0.74 -0.81 -3.33 0.00 0.00 175.10 171.30 1h38 n PRO 474 N 1.21 0.56 -0.32 1.54 -0.04 -1.26 -4.70 135.00 131.99 1h38 n PRO 474 Ca -0.22 0.23 0.09 0.00 -0.04 0.00 0.00 63.50 63.57 1h38 n PRO 474 Cb 0.56 -1.98 0.26 0.00 -0.04 0.00 0.00 33.50 32.31 1h38 n PRO 474 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1h38 h PHE 475 N 0.04 0.90 -1.00 0.54 -1.00 -1.98 -1.05 116.94 113.39 1h38 h PHE 475 Ca -0.47 0.03 0.09 0.00 2.81 0.00 0.00 57.97 60.44 1h38 h PHE 475 Cb 1.36 -0.26 -0.07 0.00 3.61 0.00 0.00 35.95 40.59 1h38 h PHE 475 CO 0.35 0.22 0.64 -1.00 -1.61 0.00 0.00 178.31 176.91 1h38 h PRO 476 N 0.70 1.04 0.00 1.51 0.13 -1.99 0.68 132.00 134.07 1h38 h PRO 476 Ca 0.50 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 65.52 1h38 h PRO 476 Cb 0.72 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 1h38 h PRO 476 CO -0.36 0.69 -0.22 0.93 -0.23 0.00 0.00 178.00 178.81 1h38 h GLU 477 N 1.07 0.00 -0.02 0.86 5.08 -1.53 -0.38 114.58 119.66 1h38 h GLU 477 Ca 0.46 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.58 1h38 h GLU 477 Cb 0.33 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.59 1h38 h GLU 477 CO -0.21 0.22 -0.94 0.00 -1.00 0.00 0.00 179.01 177.07 1h38 h ARG 478 N 0.00 0.56 -0.37 2.33 3.08 -0.64 -1.56 114.38 117.77 1h38 h ARG 478 Ca -0.00 -0.57 -0.11 0.00 0.07 0.00 0.00 59.98 59.37 1h38 h ARG 478 Cb 0.73 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 1h38 h ARG 478 CO 0.03 1.19 -0.20 0.82 -1.07 0.00 0.00 179.97 180.74 1h38 h ILE 479 N 0.33 1.28 -0.07 2.04 1.08 -0.73 -2.63 117.51 118.81 1h38 h ILE 479 Ca -0.09 -1.33 0.03 0.00 -0.39 0.00 0.00 64.86 63.07 1h38 h ILE 479 Cb 1.57 1.35 -0.03 0.00 -3.07 0.00 0.00 36.82 36.65 1h38 h ILE 479 CO 0.17 0.44 -0.09 0.50 -0.69 0.00 0.00 178.15 178.48 1h38 h LYS 480 N 0.58 -0.12 -0.67 2.37 1.63 -1.04 -0.41 116.57 118.91 1h38 h LYS 480 Ca 0.08 0.01 0.11 0.00 -0.85 0.00 0.00 60.65 59.99 1h38 h LYS 480 Cb 0.75 0.03 -0.08 0.00 -0.60 0.00 0.00 32.23 32.33 1h38 h LYS 480 CO 0.06 -0.08 0.27 0.35 -3.45 0.00 0.00 179.45 176.60 1h38 h PHE 481 N -0.12 0.46 -0.56 1.91 3.57 -1.18 0.16 116.94 121.18 1h38 h PHE 481 Ca 0.06 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.49 1h38 h PHE 481 Cb 0.21 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 1h38 h PHE 481 CO -0.19 0.11 -0.04 0.82 -2.23 0.00 0.00 178.31 176.78 1h38 h ILE 482 N 0.45 1.27 -0.43 1.41 1.08 -1.06 -2.55 117.51 117.68 1h38 h ILE 482 Ca 0.34 -1.18 -0.04 0.00 -0.39 0.00 0.00 64.86 63.59 1h38 h ILE 482 Cb 0.44 0.90 -0.02 0.00 -3.07 0.00 0.00 36.82 35.08 1h38 h ILE 482 CO -0.33 0.42 0.10 -0.33 -0.69 0.00 0.00 178.15 177.33 1h38 h GLU 483 N 0.90 0.68 0.00 2.37 5.08 -0.07 -2.02 114.58 121.51 1h38 h GLU 483 Ca 0.15 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1h38 h GLU 483 Cb 0.59 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1h38 h GLU 483 CO 0.04 0.69 -0.04 0.93 -1.00 0.00 0.00 179.01 179.63 1h38 h GLU 484 N 0.55 0.00 -0.55 2.33 5.08 -0.62 -1.59 114.58 119.79 1h38 h GLU 484 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1h38 h GLU 484 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1h38 h GLU 484 CO 0.00 0.04 0.00 0.09 -1.00 0.00 0.00 179.01 178.14 1h38 n ASN 485 N -4.12 4.50 -0.33 1.42 4.13 -0.97 -4.64 115.26 115.25 1h38 n ASN 485 Ca -0.03 -2.52 0.15 0.00 1.68 0.00 0.00 54.58 53.86 1h38 n ASN 485 Cb 0.13 -0.54 0.30 0.00 -1.54 0.00 0.00 39.78 38.13 1h38 n ASN 485 CO 0.00 0.00 0.00 -0.74 0.28 0.00 0.00 177.26 176.80 1h38 h HIS 486 N 3.48 0.04 -0.24 3.10 2.76 -0.57 0.11 115.15 123.83 1h38 h HIS 486 Ca 0.00 0.07 -0.09 0.00 -2.20 0.00 0.00 60.37 58.15 1h38 h HIS 486 Cb 1.41 0.14 -0.00 0.00 1.55 0.00 0.00 27.41 30.51 1h38 h HIS 486 CO 0.69 -0.41 -0.19 0.93 -1.30 0.00 0.00 177.93 177.65 1h38 h GLU 487 N 0.03 0.54 -0.79 5.26 4.39 -1.84 -2.21 114.58 119.96 1h38 h GLU 487 Ca 0.60 -0.27 0.08 0.00 0.34 0.00 0.00 59.36 60.11 1h38 h GLU 487 Cb 1.27 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.85 1h38 h GLU 487 CO -0.88 0.85 0.45 -0.91 -1.16 0.00 0.00 179.01 177.36 1h38 h ASN 488 N 0.25 0.67 0.29 1.42 4.21 -1.19 -1.10 115.58 120.12 1h38 h ASN 488 Ca 0.04 0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.58 1h38 h ASN 488 Cb 0.73 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.83 1h38 h ASN 488 CO 0.05 0.41 -0.14 0.40 -1.29 0.00 0.00 177.43 176.86 1h38 h ILE 489 N 0.80 0.75 -0.90 2.81 2.04 -1.06 -1.64 117.51 120.31 1h38 h ILE 489 Ca 0.36 -0.41 0.15 0.00 1.00 0.00 0.00 64.86 65.96 1h38 h ILE 489 Cb 0.27 0.98 -0.07 0.00 -0.74 0.00 0.00 36.82 37.26 1h38 h ILE 489 CO -0.21 0.09 0.58 0.24 0.00 0.00 0.00 178.15 178.84 1h38 h MET 490 N -0.61 0.65 0.75 2.37 2.86 -1.22 0.15 114.93 119.89 1h38 h MET 490 Ca -0.04 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 1h38 h MET 490 Cb 0.44 -0.15 0.01 0.00 0.06 0.00 0.00 31.60 31.96 1h38 h MET 490 CO 0.06 0.43 -0.37 0.00 1.06 0.00 0.00 176.91 178.10 1h38 h ALA 491 N 1.60 -1.02 0.00 6.32 0.00 -0.94 0.19 119.26 125.41 1h38 h ALA 491 Ca 0.46 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1h38 h ALA 491 Cb 0.76 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1h38 h ALA 491 CO -0.21 -1.07 -0.05 0.00 0.00 0.00 0.00 179.25 177.91 1h38 h ALA 493 N 1.95 0.07 -0.09 0.00 0.00 -0.66 -1.98 119.26 118.54 1h38 h ALA 493 Ca -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1h38 h ALA 493 Cb 0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1h38 h ALA 493 CO 0.01 0.03 0.03 -0.22 0.00 0.00 0.00 179.25 179.09 1h38 h LYS 494 N -0.41 0.14 -2.31 0.00 3.64 -0.09 -3.39 116.57 114.15 1h38 h LYS 494 Ca -0.01 -0.03 -0.59 0.00 -1.27 0.00 0.00 60.65 58.75 1h38 h LYS 494 Cb 0.84 -0.02 -0.38 0.00 -0.41 0.00 0.00 32.23 32.26 1h38 h LYS 494 CO 0.04 0.31 -0.99 0.43 -2.27 0.00 0.00 179.45 176.97 1h38 n SER 495 N -4.90 -0.20 -0.20 4.20 7.64 -0.29 -5.00 113.62 114.87 1h38 n SER 495 Ca -0.06 -2.47 0.11 0.00 1.01 0.00 0.00 58.87 57.45 1h38 n SER 495 Cb 0.14 -0.58 0.41 0.00 -1.01 0.00 0.00 64.21 63.17 1h38 n SER 495 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1h38 h PRO 496 N 5.29 0.62 0.00 1.43 0.13 -1.54 -0.89 132.00 137.03 1h38 h PRO 496 Ca 0.23 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1h38 h PRO 496 Cb 0.90 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1h38 h PRO 496 CO 0.40 0.41 0.00 1.28 -0.23 0.00 0.00 178.00 179.86 1h38 n LEU 497 N -4.51 0.53 -0.00 1.56 4.77 -1.26 -3.11 117.00 114.98 1h38 n LEU 497 Ca 0.14 0.59 0.08 0.00 -0.03 0.00 0.00 56.01 56.79 1h38 n LEU 497 Cb 0.39 -0.46 -0.10 0.00 -2.33 0.00 0.00 43.42 40.91 1h38 n LEU 497 CO 0.32 -0.30 -0.13 -0.62 -1.33 0.00 0.00 177.39 175.32 1h38 n GLU 498 N -2.04 1.29 -3.97 3.23 1.02 -0.39 -4.85 120.64 114.92 1h38 n GLU 498 Ca 0.04 -0.02 -0.30 0.00 -0.02 0.00 0.00 57.16 56.86 1h38 n GLU 498 Cb 0.31 -1.31 -0.16 0.00 -0.02 0.00 0.00 31.44 30.25 1h38 n GLU 498 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1h38 s ASN 499 N -2.80 3.12 0.00 1.62 0.01 -0.87 -4.99 114.94 111.03 1h38 s ASN 499 Ca 0.05 -0.75 0.27 0.00 -0.71 0.00 0.00 52.86 51.71 1h38 s ASN 499 Cb 0.13 -1.14 0.92 0.00 0.41 0.00 0.00 41.25 41.56 1h38 s ASN 499 CO 0.70 -0.14 1.67 0.35 -1.51 0.00 0.00 177.10 178.17 1h38 n THR 500 N 4.75 0.00 -0.29 1.60 -2.24 -1.26 -4.36 114.28 112.48 1h38 n THR 500 Ca -0.14 -0.18 0.11 0.00 -2.27 0.00 0.00 64.05 61.57 1h38 n THR 500 Cb 0.47 0.41 0.25 0.00 -2.10 0.00 0.00 70.33 69.37 1h38 n THR 500 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1h38 h TRP 501 N 1.67 0.19 -0.80 4.78 7.01 -1.94 0.16 115.95 127.02 1h38 h TRP 501 Ca 0.00 0.05 -0.02 0.00 2.11 0.00 0.00 58.89 61.03 1h38 h TRP 501 Cb 0.49 0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.57 1h38 h TRP 501 CO 0.00 -0.25 0.42 0.11 -2.79 0.00 0.00 178.44 175.93 1h38 h TRP 502 N 0.15 1.11 0.00 2.65 5.08 -1.94 -1.54 115.95 121.46 1h38 h TRP 502 Ca 0.52 -0.03 0.00 0.00 1.08 0.00 0.00 58.89 60.46 1h38 h TRP 502 Cb 1.02 -0.35 0.00 0.00 -3.00 0.00 0.00 29.16 26.83 1h38 h TRP 502 CO -0.34 0.78 0.00 0.00 -1.28 0.00 0.00 178.44 177.60 1h38 n ALA 503 N -2.42 1.42 1.05 0.11 0.00 0.56 -2.02 120.51 119.20 1h38 n ALA 503 Ca 0.08 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.68 1h38 n ALA 503 Cb 0.11 -1.25 0.34 0.00 0.00 0.00 0.00 19.45 18.65 1h38 n ALA 503 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1h38 n GLU 504 N -1.85 1.95 -2.95 0.00 1.02 -0.58 -4.77 120.64 113.45 1h38 n GLU 504 Ca 0.02 -1.42 -0.28 0.00 -0.02 0.00 0.00 57.16 55.45 1h38 n GLU 504 Cb 0.13 -1.44 -0.02 0.00 -0.02 0.00 0.00 31.44 30.09 1h38 n GLU 504 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1h38 s GLN 505 N -1.79 3.63 0.36 3.49 -1.52 -0.86 -4.97 119.66 118.00 1h38 s GLN 505 Ca 0.34 0.18 0.14 0.00 -1.95 0.00 0.00 55.36 54.07 1h38 s GLN 505 Cb 0.19 -2.48 0.98 0.00 -0.22 0.00 0.00 33.01 31.49 1h38 s GLN 505 CO 0.29 -0.01 1.75 -0.44 -0.25 0.00 0.00 175.29 176.63 1h38 h ASP 506 N 0.97 0.57 -2.19 5.90 3.45 -1.71 -2.73 116.42 120.67 1h38 h ASP 506 Ca -0.47 0.11 -0.59 0.00 0.43 0.00 0.00 57.03 56.50 1h38 h ASP 506 Cb 1.20 0.02 -0.41 0.00 -0.56 0.00 0.00 39.33 39.57 1h38 h ASP 506 CO 0.63 0.11 -0.74 -1.20 -1.57 0.00 0.00 179.24 176.48 1h38 n SER 507 N -4.75 2.68 0.00 6.45 7.64 -0.48 -5.02 113.62 120.15 1h38 n SER 507 Ca 0.26 -3.21 0.00 0.00 1.01 0.00 0.00 58.87 56.93 1h38 n SER 507 Cb 0.80 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 1h38 n SER 507 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1h38 n PRO 508 N 1.10 0.00 -0.21 1.43 -0.04 -1.03 -0.50 135.00 135.74 1h38 n PRO 508 Ca 0.27 0.65 -0.07 0.00 -0.04 0.00 0.00 63.50 64.32 1h38 n PRO 508 Cb 0.44 -1.02 0.03 0.00 -0.04 0.00 0.00 33.50 32.92 1h38 n PRO 508 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1h38 h PHE 509 N 0.00 0.83 -0.24 0.54 0.04 -1.87 0.58 116.94 116.83 1h38 h PHE 509 Ca 0.00 -0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.70 1h38 h PHE 509 Cb 0.00 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 37.87 1h38 h PHE 509 CO -0.55 0.61 -0.04 0.00 -0.60 0.00 0.00 178.31 177.73 1h38 h PHE 511 N 0.35 0.66 -0.75 0.00 3.57 0.14 -1.40 116.94 119.51 1h38 h PHE 511 Ca 0.08 -0.12 0.01 0.00 3.53 0.00 0.00 57.97 61.47 1h38 h PHE 511 Cb 0.30 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 1h38 h PHE 511 CO 0.01 0.73 0.49 1.25 -2.23 0.00 0.00 178.31 178.56 1h38 h LEU 512 N 0.40 0.84 -0.53 0.59 5.85 -0.18 0.86 115.31 123.14 1h38 h LEU 512 Ca 0.09 -0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.89 1h38 h LEU 512 Cb 0.48 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.22 1h38 h LEU 512 CO 0.02 0.60 0.03 0.00 -0.34 0.00 0.00 178.44 178.76 1h38 h ALA 513 N 1.28 0.54 -0.03 1.25 0.00 -0.48 -1.09 119.26 120.73 1h38 h ALA 513 Ca 0.28 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1h38 h ALA 513 Cb -0.09 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1h38 h ALA 513 CO -0.07 -0.36 0.01 0.35 0.00 0.00 0.00 179.25 179.18 1h38 h PHE 514 N 0.15 0.02 -0.52 0.00 3.04 -0.28 -2.64 116.94 116.72 1h38 h PHE 514 Ca 0.27 0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.32 1h38 h PHE 514 Cb 0.40 -0.01 -0.10 0.00 2.56 0.00 0.00 35.95 38.80 1h38 h PHE 514 CO -0.30 0.01 -0.20 0.00 -2.02 0.00 0.00 178.31 175.81 1h38 h PHE 516 N -0.07 -1.10 -0.86 0.00 0.04 -1.02 0.35 116.94 114.28 1h38 h PHE 516 Ca 0.25 0.02 0.08 0.00 2.80 0.00 0.00 57.97 61.12 1h38 h PHE 516 Cb 0.46 0.46 -0.07 0.00 2.20 0.00 0.00 35.95 39.00 1h38 h PHE 516 CO -0.49 -0.51 0.52 0.93 -0.60 0.00 0.00 178.31 178.16 1h38 h GLU 517 N -0.67 0.89 -0.31 1.51 4.39 -0.97 0.34 114.58 119.77 1h38 h GLU 517 Ca 0.01 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.69 1h38 h GLU 517 Cb 0.67 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 1h38 h GLU 517 CO -0.20 0.59 0.10 -0.92 -1.16 0.00 0.00 179.01 177.42 1h38 h TYR 518 N 0.92 0.18 -0.85 4.33 5.03 0.43 -1.63 116.97 125.37 1h38 h TYR 518 Ca 0.39 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.74 1h38 h TYR 518 Cb 0.26 -0.04 -0.04 0.00 1.55 0.00 0.00 36.73 38.46 1h38 h TYR 518 CO -0.04 0.08 0.56 0.00 -1.32 0.00 0.00 178.16 177.44 1h38 h ALA 519 N 1.20 1.43 -0.65 1.82 0.00 0.15 -2.42 119.26 120.79 1h38 h ALA 519 Ca 0.14 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1h38 h ALA 519 Cb 0.11 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1h38 h ALA 519 CO -0.15 0.51 0.41 0.78 0.00 0.00 0.00 179.25 180.80 1h38 h GLY 520 N 1.11 0.93 0.99 0.00 0.00 -0.03 -2.29 103.07 103.77 1h38 h GLY 520 Ca 0.32 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1h38 h GLY 520 CO -0.08 0.27 0.32 -2.08 0.00 0.00 0.00 176.54 174.97 1h38 h VAL 521 N 0.81 1.19 -0.77 4.60 2.07 -0.96 0.18 116.25 123.38 1h38 h VAL 521 Ca 0.26 -0.49 0.04 0.00 0.82 0.00 0.00 66.70 67.33 1h38 h VAL 521 Cb -0.01 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 1h38 h VAL 521 CO -0.09 0.21 0.47 1.56 0.02 0.00 0.00 177.57 179.74 1h38 h GLN 522 N 0.80 0.88 0.05 1.57 1.08 -1.12 1.08 115.11 119.44 1h38 h GLN 522 Ca 0.21 -0.05 -0.25 0.00 -1.45 0.00 0.00 58.65 57.10 1h38 h GLN 522 Cb 0.05 -0.20 0.02 0.00 -0.05 0.00 0.00 27.48 27.31 1h38 h GLN 522 CO -0.03 0.58 -1.02 0.45 -0.95 0.00 0.00 178.83 177.86 1h38 h HIS 523 N 0.90 0.92 0.00 2.96 3.86 -1.15 -3.38 115.15 119.26 1h38 h HIS 523 Ca 0.32 -0.54 0.00 0.00 -1.16 0.00 0.00 60.37 58.99 1h38 h HIS 523 Cb 0.08 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.46 1h38 h HIS 523 CO -0.04 1.38 -1.66 0.72 0.86 0.00 0.00 177.93 179.18 1h38 n HIS 524 N -3.92 0.00 0.00 2.45 8.25 0.62 -5.11 115.22 117.50 1h38 n HIS 524 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 1h38 n HIS 524 Cb 0.88 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 31.65 1h38 n HIS 524 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1h38 n GLY 525 N 1.37 -0.30 0.00 -1.41 0.00 0.37 -4.37 105.19 100.85 1h38 n GLY 525 Ca -0.02 -1.83 0.03 0.00 0.00 0.00 0.00 46.02 44.20 1h38 n GLY 525 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h38 n LEU 526 N -0.64 0.00 0.03 0.99 4.77 -1.26 -1.26 117.00 119.64 1h38 n LEU 526 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 1h38 n LEU 526 Cb 0.00 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1h38 n LEU 526 CO 0.00 0.00 0.07 -1.54 -1.33 0.00 0.00 177.39 174.59 1h38 n SER 527 N -0.82 0.63 -4.66 -1.43 3.41 -1.26 -0.51 113.62 108.98 1h38 n SER 527 Ca 0.04 -0.17 -0.60 0.00 -0.26 0.00 0.00 58.87 57.88 1h38 n SER 527 Cb 0.02 0.68 -0.08 0.00 -0.26 0.00 0.00 64.21 64.57 1h38 n SER 527 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h38 n TYR 528 N -1.97 1.57 -2.54 7.33 9.36 -0.38 -4.29 117.16 126.24 1h38 n TYR 528 Ca 0.02 0.85 -0.43 0.00 3.32 0.00 0.00 57.90 61.66 1h38 n TYR 528 Cb 0.43 -2.29 -0.02 0.00 -0.63 0.00 0.00 39.34 36.83 1h38 n TYR 528 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1h38 s ASN 529 N 2.07 6.50 0.03 2.98 2.47 -1.26 -0.84 114.94 126.89 1h38 s ASN 529 Ca 0.96 0.41 0.05 0.00 0.42 0.00 0.00 52.86 54.70 1h38 s ASN 529 Cb -1.22 -2.55 -0.03 0.00 -1.45 0.00 0.00 41.25 36.00 1h38 s ASN 529 CO 0.65 -1.38 -0.10 0.00 -3.72 0.00 0.00 177.10 172.55 1h38 n SER 531 N 1.39 0.41 -4.73 0.00 3.41 -1.26 -2.01 113.62 110.84 1h38 n SER 531 Ca -0.15 -2.10 -0.42 0.00 -0.26 0.00 0.00 58.87 55.94 1h38 n SER 531 Cb 0.52 -0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 1h38 n SER 531 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1h38 s LEU 532 N -0.48 4.39 -0.53 1.04 2.96 -1.26 -2.59 118.68 122.20 1h38 s LEU 532 Ca 0.05 2.47 -0.28 0.00 -0.22 0.00 0.00 54.13 56.15 1h38 s LEU 532 Cb 0.05 -3.61 0.02 0.00 0.50 0.00 0.00 46.19 43.14 1h38 s LEU 532 CO 0.00 -0.63 1.38 -2.16 -1.32 0.00 0.00 176.35 173.62 1h38 s PRO 533 N 0.24 3.39 -0.17 0.98 0.04 -1.26 -3.77 135.00 134.44 1h38 s PRO 533 Ca 0.61 0.52 -0.26 0.00 0.04 0.00 0.00 61.00 61.91 1h38 s PRO 533 Cb -0.39 -4.09 -0.01 0.00 0.04 0.00 0.00 34.50 30.06 1h38 s PRO 533 CO 0.37 -1.82 0.86 -0.51 0.04 0.00 0.00 177.00 175.93 1h38 s LEU 534 N 5.77 4.17 -0.13 -3.56 1.43 -0.05 -4.78 118.68 121.52 1h38 s LEU 534 Ca 0.53 1.20 -0.07 0.00 -1.03 0.00 0.00 54.13 54.76 1h38 s LEU 534 Cb -0.11 -3.27 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 1h38 s LEU 534 CO 0.27 -0.43 0.13 0.00 0.23 0.00 0.00 176.35 176.54 1h38 s ALA 535 N 2.26 3.80 -0.31 4.21 0.00 -1.26 -2.80 121.76 127.65 1h38 s ALA 535 Ca 0.39 -0.66 -0.02 0.00 0.00 0.00 0.00 51.96 51.67 1h38 s ALA 535 Cb -0.16 -1.95 0.05 0.00 0.00 0.00 0.00 23.12 21.06 1h38 s ALA 535 CO 0.12 0.55 0.02 -0.06 0.00 0.00 0.00 175.76 176.39 1h38 s PHE 536 N -0.82 3.29 -0.06 0.00 0.08 0.86 -4.95 117.98 116.38 1h38 s PHE 536 Ca 0.14 -1.88 -0.10 0.00 0.12 0.00 0.00 56.93 55.20 1h38 s PHE 536 Cb -0.12 -2.20 -0.05 0.00 -0.57 0.00 0.00 43.02 40.09 1h38 s PHE 536 CO 0.03 -0.81 0.27 -0.51 -0.10 0.00 0.00 175.22 174.10 1h38 s ASP 537 N 1.30 6.58 0.17 1.36 1.01 -1.26 -1.90 116.67 123.92 1h38 s ASP 537 Ca -0.04 0.70 -0.29 0.00 0.71 0.00 0.00 52.55 53.63 1h38 s ASP 537 Cb -0.20 -2.15 -0.07 0.00 1.01 0.00 0.00 42.92 41.51 1h38 s ASP 537 CO -0.01 0.36 0.91 -0.83 0.21 0.00 0.00 175.17 175.82 1h38 s GLY 538 N -1.09 3.03 0.00 0.21 0.00 -0.49 -3.87 107.32 105.12 1h38 s GLY 538 Ca 0.20 0.55 0.00 0.00 0.00 0.00 0.00 44.72 45.46 1h38 s GLY 538 CO 0.09 1.25 0.00 1.44 0.00 0.00 0.00 173.10 175.88 1h38 n SER 539 N 2.10 0.00 -3.82 1.64 7.64 -1.26 -4.20 113.62 115.72 1h38 n SER 539 Ca -0.01 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.54 1h38 n SER 539 Cb 0.48 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.62 1h38 n SER 539 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h38 n SER 541 N 1.55 -0.29 0.03 0.00 3.41 -1.26 0.14 113.62 117.19 1h38 n SER 541 Ca 0.25 1.03 -0.03 0.00 -0.26 0.00 0.00 58.87 59.86 1h38 n SER 541 Cb 0.37 -0.28 -0.02 0.00 -0.26 0.00 0.00 64.21 64.02 1h38 n SER 541 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1h38 h GLY 542 N 0.00 -1.13 1.63 5.00 0.00 -1.94 -0.66 103.07 105.96 1h38 h GLY 542 Ca 0.25 0.51 0.04 0.00 0.00 0.00 0.00 47.33 48.14 1h38 h GLY 542 CO -0.61 -0.40 0.14 -2.22 0.00 0.00 0.00 176.54 173.46 1h38 h ILE 543 N -0.17 0.58 0.08 2.60 2.04 -0.73 -1.89 117.51 120.03 1h38 h ILE 543 Ca -0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 1h38 h ILE 543 Cb 0.16 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1h38 h ILE 543 CO -0.05 0.00 -0.04 1.56 0.00 0.00 0.00 178.15 179.62 1h38 h GLN 544 N 0.00 -0.10 -0.16 2.37 4.20 0.26 -1.34 115.11 120.34 1h38 h GLN 544 Ca 0.07 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 1h38 h GLN 544 Cb 0.35 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1h38 h GLN 544 CO -0.00 0.22 0.09 0.45 -0.67 0.00 0.00 178.83 178.92 1h38 h HIS 545 N -0.43 0.22 -0.81 2.96 3.86 -0.41 0.57 115.15 121.10 1h38 h HIS 545 Ca -0.01 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.21 1h38 h HIS 545 Cb 0.37 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 28.73 1h38 h HIS 545 CO 0.03 0.22 0.54 0.74 0.86 0.00 0.00 177.93 180.32 1h38 h PHE 546 N 0.16 1.00 0.00 2.45 0.04 -1.41 0.49 116.94 119.67 1h38 h PHE 546 Ca 0.06 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.79 1h38 h PHE 546 Cb 0.07 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 37.87 1h38 h PHE 546 CO -0.04 0.61 -0.31 0.77 -0.60 0.00 0.00 178.31 178.74 1h38 h SER 547 N 1.06 0.00 0.04 2.17 0.02 -0.73 -2.95 113.55 113.16 1h38 h SER 547 Ca 0.31 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.17 1h38 h SER 547 Cb -0.05 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.50 1h38 h SER 547 CO -0.08 0.31 -0.36 0.00 -1.14 0.00 0.00 176.83 175.55 1h38 h ALA 548 N 1.69 -0.01 0.00 3.77 0.00 0.47 -0.01 119.26 125.18 1h38 h ALA 548 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1h38 h ALA 548 Cb 0.86 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1h38 h ALA 548 CO 0.04 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.45 1h38 n MET 549 N -4.41 0.04 -0.40 0.00 3.85 0.03 -2.11 117.12 114.12 1h38 n MET 549 Ca -0.11 0.29 0.06 0.00 -1.00 0.00 0.00 57.70 56.94 1h38 n MET 549 Cb 0.60 -1.50 0.10 0.00 -1.05 0.00 0.00 33.22 31.36 1h38 n MET 549 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1h38 n LEU 550 N -1.44 1.55 -4.45 3.17 4.77 -1.12 -4.93 117.00 114.56 1h38 n LEU 550 Ca 0.03 -2.46 -0.40 0.00 -0.03 0.00 0.00 56.01 53.15 1h38 n LEU 550 Cb 0.10 -0.27 -0.07 0.00 -2.33 0.00 0.00 43.42 40.85 1h38 n LEU 550 CO 0.08 0.64 -0.16 0.54 -1.33 0.00 0.00 177.39 177.16 1h38 n ARG 551 N -0.78 -1.29 -2.56 3.23 5.12 -0.90 -0.99 116.66 118.49 1h38 n ARG 551 Ca 0.11 0.19 -0.43 0.00 -1.93 0.00 0.00 57.85 55.79 1h38 n ARG 551 Cb 0.71 -4.69 -0.02 0.00 -1.16 0.00 0.00 32.46 27.30 1h38 n ARG 551 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1h38 s ASP 552 N -3.39 7.04 -0.14 0.55 -1.08 -0.05 -0.96 116.67 118.64 1h38 s ASP 552 Ca 0.72 1.53 -0.28 0.00 -0.52 0.00 0.00 52.55 54.00 1h38 s ASP 552 Cb -0.42 -2.54 -0.25 0.00 -1.46 0.00 0.00 42.92 38.25 1h38 s ASP 552 CO 1.00 -0.69 0.71 1.05 0.52 0.00 0.00 175.17 177.76 1h38 h GLU 553 N 7.73 0.01 0.54 4.34 9.09 -1.89 -2.12 114.58 132.27 1h38 h GLU 553 Ca -0.23 -0.02 -0.02 0.00 0.05 0.00 0.00 59.36 59.14 1h38 h GLU 553 Cb 1.09 0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 28.17 1h38 h GLU 553 CO 0.97 1.01 -0.51 0.28 0.05 0.00 0.00 179.01 180.80 1h38 h VAL 554 N -0.98 0.00 -0.75 -1.06 2.07 -1.92 0.39 116.25 114.00 1h38 h VAL 554 Ca -0.05 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.43 1h38 h VAL 554 Cb 1.06 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1h38 h VAL 554 CO -0.02 0.00 0.28 1.23 0.02 0.00 0.00 177.57 179.08 1h38 h GLY 555 N -1.04 1.22 0.78 2.17 0.00 -1.48 -1.66 103.07 103.07 1h38 h GLY 555 Ca -0.07 -0.68 0.05 0.00 0.00 0.00 0.00 47.33 46.63 1h38 h GLY 555 CO -0.05 0.64 0.52 -1.33 0.00 0.00 0.00 176.54 176.32 1h38 h GLY 556 N 1.09 1.23 1.46 4.60 0.00 -1.08 -0.94 103.07 109.42 1h38 h GLY 556 Ca 0.25 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 47.12 1h38 h GLY 556 CO -0.02 0.29 -0.10 -0.09 0.00 0.00 0.00 176.54 176.62 1h38 h ARG 557 N 0.97 0.65 0.00 4.80 2.43 0.16 -0.21 114.38 123.18 1h38 h ARG 557 Ca 0.35 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1h38 h ARG 557 Cb 0.10 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1h38 h ARG 557 CO -0.15 0.74 -0.05 0.00 -1.51 0.00 0.00 179.97 179.00 1h38 h ALA 558 N 1.30 1.78 -0.45 2.80 0.00 -0.24 -2.27 119.26 122.17 1h38 h ALA 558 Ca 0.11 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1h38 h ALA 558 Cb 0.52 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1h38 h ALA 558 CO 0.03 0.06 0.06 1.33 0.00 0.00 0.00 179.25 180.73 1h38 n VAL 559 N -4.27 2.57 -3.35 0.00 0.24 -0.86 -3.53 118.33 109.14 1h38 n VAL 559 Ca -0.03 -1.85 -0.24 0.00 -2.04 0.00 0.00 64.34 60.19 1h38 n VAL 559 Cb 0.13 -0.29 0.05 0.00 -1.47 0.00 0.00 33.84 32.26 1h38 n VAL 559 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1h38 n ASN 560 N -0.30 -6.01 0.08 -1.34 3.02 -0.85 -4.65 115.26 105.21 1h38 n ASN 560 Ca 0.29 -0.44 -0.19 0.00 -0.03 0.00 0.00 54.58 54.21 1h38 n ASN 560 Cb 1.09 -4.80 -0.10 0.00 -0.61 0.00 0.00 39.78 35.36 1h38 n ASN 560 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1h38 h LEU 561 N -1.96 0.75 -9.83 3.41 5.85 -1.26 -3.23 115.31 109.05 1h38 h LEU 561 Ca -0.55 -0.66 -0.61 0.00 0.84 0.00 0.00 57.88 56.90 1h38 h LEU 561 Cb 1.37 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 42.11 1h38 h LEU 561 CO 0.57 1.48 -0.35 -0.76 -0.34 0.00 0.00 178.44 179.04 1h38 s LEU 562 N -7.80 4.35 0.15 2.25 1.43 -1.26 -3.70 118.68 114.10 1h38 s LEU 562 Ca -0.08 0.59 -0.31 0.00 -1.03 0.00 0.00 54.13 53.29 1h38 s LEU 562 Cb 0.07 -2.88 -0.10 0.00 0.03 0.00 0.00 46.19 43.31 1h38 s LEU 562 CO 0.91 0.19 1.59 -2.16 0.23 0.00 0.00 176.35 177.11 1h38 s PRO 563 N -2.02 4.21 0.13 1.29 0.04 -1.26 -4.83 135.00 132.56 1h38 s PRO 563 Ca 0.32 2.37 -0.02 0.00 0.04 0.00 0.00 61.00 63.71 1h38 s PRO 563 Cb -0.13 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 1h38 s PRO 563 CO 0.19 -0.63 0.07 0.45 0.04 0.00 0.00 177.00 177.12 1h38 s SER 564 N 1.33 0.29 0.05 6.66 0.15 -1.26 -5.02 113.70 115.90 1h38 s SER 564 Ca 0.71 -1.17 0.07 0.00 0.70 0.00 0.00 55.95 56.25 1h38 s SER 564 Cb -0.44 0.30 -0.23 0.00 -1.71 0.00 0.00 66.02 63.95 1h38 s SER 564 CO 0.31 -0.74 1.01 -0.08 1.20 0.00 0.00 173.24 174.95 1h38 h GLU 565 N 2.85 0.05 -6.39 5.44 4.81 -2.01 -3.46 114.58 115.87 1h38 h GLU 565 Ca -0.35 -0.09 -0.65 0.00 -0.13 0.00 0.00 59.36 58.14 1h38 h GLU 565 Cb 1.20 0.03 -0.13 0.00 0.63 0.00 0.00 28.75 30.49 1h38 h GLU 565 CO 0.58 0.87 -0.68 0.95 -0.73 0.00 0.00 179.01 180.01 1h38 s THR 566 N -2.66 3.85 0.19 0.32 -4.23 -1.26 -4.61 115.64 107.24 1h38 s THR 566 Ca -0.03 -1.09 -0.30 0.00 -1.18 0.00 0.00 61.69 59.09 1h38 s THR 566 Cb 0.09 -2.84 -0.09 0.00 1.34 0.00 0.00 72.50 71.00 1h38 s THR 566 CO 0.83 0.10 1.35 -0.69 -0.54 0.00 0.00 174.62 175.66 1h38 s VAL 567 N -1.33 3.14 0.07 2.29 1.01 -1.26 -4.99 120.40 119.33 1h38 s VAL 567 Ca 0.25 0.91 -0.19 0.00 0.00 0.00 0.00 61.98 62.95 1h38 s VAL 567 Cb -0.11 -3.58 -0.07 0.00 0.00 0.00 0.00 36.38 32.62 1h38 s VAL 567 CO 0.17 0.12 0.56 -1.10 0.00 0.00 0.00 175.10 174.86 1h38 s GLN 568 N 0.14 4.20 -0.46 2.72 -1.52 -1.26 -4.95 119.66 118.52 1h38 s GLN 568 Ca 0.59 0.73 0.03 0.00 -1.95 0.00 0.00 55.36 54.76 1h38 s GLN 568 Cb -0.37 -3.24 0.12 0.00 -0.22 0.00 0.00 33.01 29.29 1h38 s GLN 568 CO 0.37 0.63 0.20 0.34 -0.25 0.00 0.00 175.29 176.58 1h38 s ASP 569 N -1.07 4.54 0.35 5.90 2.15 -1.26 -4.73 116.67 122.55 1h38 s ASP 569 Ca 0.29 -2.69 0.10 0.00 0.43 0.00 0.00 52.55 50.68 1h38 s ASP 569 Cb -0.19 -1.65 0.86 0.00 -0.30 0.00 0.00 42.92 41.64 1h38 s ASP 569 CO 0.19 -0.30 1.81 -0.29 -0.17 0.00 0.00 175.17 176.41 1h38 h ILE 570 N 5.88 0.71 -0.62 4.11 2.10 -1.96 0.11 117.51 127.83 1h38 h ILE 570 Ca -0.06 -0.22 -0.00 0.00 1.08 0.00 0.00 64.86 65.65 1h38 h ILE 570 Cb 0.94 0.01 -0.03 0.00 -1.09 0.00 0.00 36.82 36.65 1h38 h ILE 570 CO 0.63 0.12 0.37 1.88 -1.08 0.00 0.00 178.15 180.07 1h38 h TYR 571 N 0.64 0.83 -0.30 2.19 0.05 -1.92 -1.52 116.97 116.94 1h38 h TYR 571 Ca 0.53 -0.00 -0.16 0.00 0.05 0.00 0.00 58.73 59.15 1h38 h TYR 571 Cb 0.99 -0.27 -0.00 0.00 1.01 0.00 0.00 36.73 38.46 1h38 h TYR 571 CO -0.00 0.57 -0.45 0.78 -1.05 0.00 0.00 178.16 178.00 1h38 h GLY 572 N 0.85 0.91 1.51 3.88 0.00 -1.20 -1.17 103.07 107.85 1h38 h GLY 572 Ca 0.22 -1.01 -0.09 0.00 0.00 0.00 0.00 47.33 46.45 1h38 h GLY 572 CO -0.04 0.91 -0.18 1.19 0.00 0.00 0.00 176.54 178.42 1h38 h ILE 573 N 0.60 1.25 -0.56 2.60 6.09 -0.89 0.13 117.51 126.74 1h38 h ILE 573 Ca 0.03 -1.18 -0.09 0.00 -1.37 0.00 0.00 64.86 62.25 1h38 h ILE 573 Cb 1.05 1.21 -0.02 0.00 0.47 0.00 0.00 36.82 39.53 1h38 h ILE 573 CO 0.10 0.38 -0.02 0.58 -3.07 0.00 0.00 178.15 176.12 1h38 h VAL 574 N 0.52 1.26 -0.63 2.19 2.07 -1.21 -1.86 116.25 118.59 1h38 h VAL 574 Ca 0.08 -1.14 0.02 0.00 0.82 0.00 0.00 66.70 66.48 1h38 h VAL 574 Cb 0.60 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 1h38 h VAL 574 CO 0.04 0.41 0.40 0.00 0.02 0.00 0.00 177.57 178.44 1h38 h ALA 575 N 1.07 0.81 0.31 1.67 0.00 -0.26 -1.39 119.26 121.47 1h38 h ALA 575 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1h38 h ALA 575 Cb 0.55 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1h38 h ALA 575 CO 0.03 0.18 -0.35 0.87 0.00 0.00 0.00 179.25 179.99 1h38 h LYS 576 N 0.81 -0.67 -0.85 0.00 1.57 -0.35 -1.78 116.57 115.29 1h38 h LYS 576 Ca 0.24 0.05 0.17 0.00 -1.87 0.00 0.00 60.65 59.23 1h38 h LYS 576 Cb -0.04 0.15 -0.10 0.00 0.08 0.00 0.00 32.23 32.32 1h38 h LYS 576 CO -0.08 -0.45 0.41 0.87 -0.57 0.00 0.00 179.45 179.63 1h38 h LYS 577 N -0.70 0.52 -0.32 3.15 1.57 -1.09 -0.89 116.57 118.82 1h38 h LYS 577 Ca -0.01 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1h38 h LYS 577 Cb 0.64 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1h38 h LYS 577 CO -0.08 0.34 0.18 0.28 -0.57 0.00 0.00 179.45 179.60 1h38 h VAL 578 N 0.53 1.13 -0.09 0.50 2.07 -0.54 -2.06 116.25 117.80 1h38 h VAL 578 Ca 0.49 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.70 1h38 h VAL 578 Cb 0.77 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1h38 h VAL 578 CO -0.42 0.13 0.06 0.78 0.02 0.00 0.00 177.57 178.15 1h38 h ASN 579 N 0.39 0.00 -0.77 0.57 2.35 -0.38 0.10 115.58 117.85 1h38 h ASN 579 Ca 0.11 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.81 1h38 h ASN 579 Cb 0.05 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 1h38 h ASN 579 CO -0.02 0.00 0.28 -0.33 -1.65 0.00 0.00 177.43 175.71 1h38 h GLU 580 N 0.00 1.17 -0.16 0.81 5.08 -0.61 -1.03 114.58 119.84 1h38 h GLU 580 Ca 0.04 -0.23 -0.21 0.00 -1.00 0.00 0.00 59.36 57.97 1h38 h GLU 580 Cb 0.17 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1h38 h GLU 580 CO -0.00 0.97 -0.72 0.82 -1.00 0.00 0.00 179.01 179.08 1h38 h ILE 581 N 1.14 1.30 -0.50 3.13 2.04 -0.65 -1.61 117.51 122.36 1h38 h ILE 581 Ca 0.25 -1.95 0.04 0.00 1.00 0.00 0.00 64.86 64.20 1h38 h ILE 581 Cb 0.25 1.93 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 1h38 h ILE 581 CO -0.02 0.62 0.27 -0.07 0.00 0.00 0.00 178.15 178.95 1h38 h LEU 582 N 0.50 0.41 -0.26 1.44 3.38 -0.56 1.00 115.31 121.22 1h38 h LEU 582 Ca -0.03 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1h38 h LEU 582 Cb 1.33 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 1h38 h LEU 582 CO 0.14 0.29 -0.35 -0.61 0.09 0.00 0.00 178.44 178.00 1h38 h GLN 583 N 0.53 0.69 -0.35 1.13 4.15 -1.19 -0.06 115.11 120.01 1h38 h GLN 583 Ca 0.21 -0.40 0.05 0.00 0.77 0.00 0.00 58.65 59.29 1h38 h GLN 583 Cb 0.09 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 1h38 h GLN 583 CO -0.13 1.02 0.24 0.00 -1.93 0.00 0.00 178.83 178.03 1h38 h ALA 584 N 0.67 1.99 0.00 3.38 0.00 -0.75 -1.28 119.26 123.27 1h38 h ALA 584 Ca 0.03 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 1h38 h ALA 584 Cb 0.93 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1h38 h ALA 584 CO 0.08 -0.06 -1.08 -0.44 0.00 0.00 0.00 179.25 177.75 1h38 h ASP 585 N 0.27 0.00 -0.73 0.00 5.19 -0.57 -2.26 116.42 118.32 1h38 h ASP 585 Ca 0.15 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.54 1h38 h ASP 585 Cb 0.28 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.75 1h38 h ASP 585 CO -0.03 0.83 0.36 0.00 -3.12 0.00 0.00 179.24 177.27 1h38 h ALA 586 N 1.17 1.23 0.01 3.45 0.00 0.15 -3.29 119.26 121.98 1h38 h ALA 586 Ca -0.08 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1h38 h ALA 586 Cb 1.71 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1h38 h ALA 586 CO 0.09 0.59 -0.00 0.82 0.00 0.00 0.00 179.25 180.75 1h38 h ILE 587 N 1.05 0.00 0.00 0.00 1.08 -1.46 -3.48 117.51 114.70 1h38 h ILE 587 Ca 0.26 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.71 1h38 h ILE 587 Cb 0.11 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.86 1h38 h ILE 587 CO -0.03 0.00 0.00 0.59 -0.69 0.00 0.00 178.15 178.02 1h38 n ASN 588 N -2.09 0.00 0.00 1.72 5.03 -0.85 -5.08 115.26 113.99 1h38 n ASN 588 Ca -0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1h38 n ASN 588 Cb 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.77 1h38 n ASN 588 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1h38 n GLY 589 N 5.00 -2.02 3.81 7.41 0.00 -1.26 -4.43 105.19 113.71 1h38 n GLY 589 Ca 0.00 -1.51 -0.32 0.00 0.00 0.00 0.00 46.02 44.19 1h38 n GLY 589 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h38 s THR 590 N -2.75 4.01 0.42 2.61 -4.23 -1.26 -4.59 115.64 109.86 1h38 s THR 590 Ca 0.00 0.93 0.00 0.00 -1.18 0.00 0.00 61.69 61.45 1h38 s THR 590 Cb 0.00 -3.47 -0.01 0.00 1.34 0.00 0.00 72.50 70.35 1h38 s THR 590 CO 0.00 -0.59 0.64 -1.81 -0.54 0.00 0.00 174.62 172.32 1h38 s ASP 591 N -2.95 5.97 1.25 3.99 1.01 -1.26 -1.52 116.67 123.17 1h38 s ASP 591 Ca 0.62 0.33 -0.17 0.00 0.71 0.00 0.00 52.55 54.04 1h38 s ASP 591 Cb -0.14 -1.67 0.31 0.00 1.01 0.00 0.00 42.92 42.42 1h38 s ASP 591 CO 0.37 -0.58 1.01 0.20 0.21 0.00 0.00 175.17 176.37 1h38 s ASN 592 N -4.16 0.32 -0.29 0.27 0.01 -1.26 -3.94 114.94 105.88 1h38 s ASN 592 Ca 0.46 1.12 -0.20 0.00 -0.71 0.00 0.00 52.86 53.53 1h38 s ASN 592 Cb -0.10 -1.69 0.17 0.00 0.41 0.00 0.00 41.25 40.04 1h38 s ASN 592 CO 0.37 -4.55 1.18 -0.70 -1.51 0.00 0.00 177.10 171.89 1h38 s GLU 593 N -4.84 0.25 -0.52 -0.60 2.56 -1.08 -4.84 118.70 109.64 1h38 s GLU 593 Ca 0.68 0.36 -0.13 0.00 0.00 0.00 0.00 54.97 55.88 1h38 s GLU 593 Cb -0.18 0.09 0.13 0.00 2.00 0.00 0.00 34.13 36.16 1h38 s GLU 593 CO 0.61 -0.04 0.45 0.08 -0.56 0.00 0.00 175.26 175.79 1h38 s VAL 594 N 0.67 4.85 0.52 3.70 1.01 -1.26 0.26 120.40 130.14 1h38 s VAL 594 Ca -0.02 -1.62 -0.06 0.00 0.00 0.00 0.00 61.98 60.29 1h38 s VAL 594 Cb -0.04 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 1h38 s VAL 594 CO -0.12 -0.84 0.83 -0.69 0.00 0.00 0.00 175.10 174.28 1h38 s VAL 595 N 1.50 4.58 -0.05 2.92 1.01 -0.82 -4.90 120.40 124.64 1h38 s VAL 595 Ca 0.04 0.18 -0.12 0.00 0.00 0.00 0.00 61.98 62.09 1h38 s VAL 595 Cb -0.28 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 1h38 s VAL 595 CO 0.02 -0.77 0.31 -0.89 0.00 0.00 0.00 175.10 173.76 1h38 s THR 596 N -2.83 5.21 -0.06 3.92 2.01 -1.26 -2.84 115.64 119.79 1h38 s THR 596 Ca 0.49 0.61 -0.00 0.00 0.31 0.00 0.00 61.69 63.10 1h38 s THR 596 Cb -0.10 -3.60 0.02 0.00 0.01 0.00 0.00 72.50 68.83 1h38 s THR 596 CO 0.45 0.58 -0.02 -0.69 -0.69 0.00 0.00 174.62 174.25 1h38 s VAL 597 N -0.96 0.49 -0.26 3.82 1.01 -0.31 -5.00 120.40 119.18 1h38 s VAL 597 Ca 0.20 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.12 1h38 s VAL 597 Cb -0.15 -0.57 0.01 0.00 0.00 0.00 0.00 36.38 35.67 1h38 s VAL 597 CO 0.10 0.25 0.01 -0.89 0.00 0.00 0.00 175.10 174.56 1h38 s THR 598 N 1.44 3.45 0.37 3.92 2.01 -1.26 -0.30 115.64 125.28 1h38 s THR 598 Ca -0.03 -0.78 -0.26 0.00 0.31 0.00 0.00 61.69 60.93 1h38 s THR 598 Cb -0.13 -2.74 -0.12 0.00 0.01 0.00 0.00 72.50 69.52 1h38 s THR 598 CO -0.03 0.18 1.08 -0.67 -0.69 0.00 0.00 174.62 174.49 1h38 n ASP 599 N 4.78 1.64 -0.04 3.53 2.03 -0.58 -4.81 116.55 123.09 1h38 n ASP 599 Ca -0.16 1.11 -0.16 0.00 0.52 0.00 0.00 54.79 56.10 1h38 n ASP 599 Cb 0.48 -1.37 -0.05 0.00 -0.72 0.00 0.00 41.12 39.46 1h38 n ASP 599 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1h38 h GLU 600 N 1.87 0.81 0.03 -0.67 4.39 -1.96 0.13 114.58 119.18 1h38 h GLU 600 Ca -0.44 -0.59 -0.00 0.00 0.34 0.00 0.00 59.36 58.67 1h38 h GLU 600 Cb 1.32 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 30.07 1h38 h GLU 600 CO 0.59 1.21 -0.02 -0.91 -1.16 0.00 0.00 179.01 178.72 1h38 h ASN 601 N 0.59 -0.04 0.65 1.42 2.35 -2.00 -3.38 115.58 115.16 1h38 h ASN 601 Ca -0.02 -0.67 -0.13 0.00 -0.55 0.00 0.00 56.30 54.93 1h38 h ASN 601 Cb 1.28 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.64 1h38 h ASN 601 CO 0.14 0.74 -1.45 0.41 -1.65 0.00 0.00 177.43 175.62 1h38 n THR 602 N -4.73 0.98 -1.18 2.81 -1.04 -1.26 -4.89 114.28 104.97 1h38 n THR 602 Ca -0.08 -0.66 -0.06 0.00 -2.04 0.00 0.00 64.05 61.21 1h38 n THR 602 Cb 0.34 -0.57 -0.03 0.00 -1.82 0.00 0.00 70.33 68.25 1h38 n THR 602 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1h38 n GLY 603 N 1.36 0.81 3.70 3.41 0.00 0.44 -4.95 105.19 109.97 1h38 n GLY 603 Ca -0.09 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 1h38 n GLY 603 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h38 s GLU 604 N -2.13 4.27 -0.09 1.61 2.12 -1.26 -4.62 118.70 118.60 1h38 s GLU 604 Ca 0.00 2.12 -0.30 0.00 0.36 0.00 0.00 54.97 57.16 1h38 s GLU 604 Cb 0.00 -3.46 -0.02 0.00 0.26 0.00 0.00 34.13 30.92 1h38 s GLU 604 CO 0.00 -0.58 1.05 0.42 -0.54 0.00 0.00 175.26 175.61 1h38 s ILE 605 N 2.01 4.67 0.03 -3.70 -1.09 -1.26 -1.53 121.20 120.33 1h38 s ILE 605 Ca 0.67 1.95 0.02 0.00 -2.23 0.00 0.00 60.65 61.06 1h38 s ILE 605 Cb -0.36 -4.25 -0.02 0.00 -1.58 0.00 0.00 42.46 36.25 1h38 s ILE 605 CO 0.29 0.01 -0.07 -0.44 -1.23 0.00 0.00 174.94 173.50 1h38 s SER 606 N 1.17 0.74 -0.27 3.58 0.01 0.59 -5.01 113.70 114.52 1h38 s SER 606 Ca 0.50 -0.50 -0.09 0.00 1.31 0.00 0.00 55.95 57.17 1h38 s SER 606 Cb -0.20 0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.03 1h38 s SER 606 CO 0.19 -0.19 0.14 -1.61 0.41 0.00 0.00 173.24 172.18 1h38 s GLU 607 N -1.42 3.83 -0.05 12.44 2.02 -1.26 -1.17 118.70 133.10 1h38 s GLU 607 Ca -0.10 -0.38 0.00 0.00 0.02 0.00 0.00 54.97 54.51 1h38 s GLU 607 Cb -0.09 -3.52 0.02 0.00 0.10 0.00 0.00 34.13 30.65 1h38 s GLU 607 CO 0.00 -0.17 -0.02 0.15 0.02 0.00 0.00 175.26 175.24 1h38 s LYS 608 N 1.67 0.64 -0.12 1.61 1.02 -1.13 -5.02 119.74 118.41 1h38 s LYS 608 Ca 0.07 0.00 -0.19 0.00 0.02 0.00 0.00 55.97 55.87 1h38 s LYS 608 Cb -0.16 -0.80 -0.04 0.00 -0.52 0.00 0.00 37.83 36.31 1h38 s LYS 608 CO 0.08 -0.16 0.54 0.54 -0.92 0.00 0.00 175.35 175.42 1h38 s VAL 609 N 1.28 5.14 -1.20 3.17 0.11 -1.26 -1.95 120.40 125.69 1h38 s VAL 609 Ca -0.06 1.07 -0.19 0.00 -2.93 0.00 0.00 61.98 59.87 1h38 s VAL 609 Cb -0.13 -3.87 0.08 0.00 -1.53 0.00 0.00 36.38 30.92 1h38 s VAL 609 CO -0.02 0.28 1.61 -0.75 -3.33 0.00 0.00 175.10 172.89 1h38 s LYS 610 N 0.87 3.88 0.03 1.54 2.20 0.71 -4.89 119.74 124.07 1h38 s LYS 610 Ca 0.28 -1.81 -0.37 0.00 -0.36 0.00 0.00 55.97 53.71 1h38 s LYS 610 Cb -0.16 -5.42 -0.16 0.00 -1.51 0.00 0.00 37.83 30.58 1h38 s LYS 610 CO 0.12 -2.18 1.42 1.28 -0.36 0.00 0.00 175.35 175.63 1h38 n LEU 611 N 8.19 1.85 -4.88 5.43 4.77 -1.26 -2.62 117.00 128.47 1h38 n LEU 611 Ca 0.42 1.11 -0.30 0.00 -0.03 0.00 0.00 56.01 57.22 1h38 n LEU 611 Cb 0.47 -1.19 0.17 0.00 -2.33 0.00 0.00 43.42 40.54 1h38 n LEU 611 CO 0.72 -0.90 0.82 -0.83 -1.33 0.00 0.00 177.39 175.86 1h38 s GLY 612 N 1.05 1.71 0.27 -0.72 0.00 -1.25 -4.81 107.32 103.57 1h38 s GLY 612 Ca 0.87 -1.02 -0.04 0.00 0.00 0.00 0.00 44.72 44.53 1h38 s GLY 612 CO 0.50 -0.30 1.92 -0.91 0.00 0.00 0.00 173.10 174.30 1h38 h THR 613 N -1.63 1.23 -0.18 0.90 1.35 -1.80 -1.60 112.91 111.18 1h38 h THR 613 Ca -0.45 -0.50 0.05 0.00 -0.55 0.00 0.00 66.41 64.95 1h38 h THR 613 Cb 1.27 0.03 -0.05 0.00 -1.73 0.00 0.00 68.15 67.67 1h38 h THR 613 CO 0.45 0.24 -0.15 0.50 -0.25 0.00 0.00 175.52 176.31 1h38 h LYS 614 N 1.17 -0.16 -0.19 4.72 3.64 -1.39 0.30 116.57 124.66 1h38 h LYS 614 Ca 0.30 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.66 1h38 h LYS 614 Cb -0.05 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1h38 h LYS 614 CO -0.06 -0.11 -0.01 0.00 -2.27 0.00 0.00 179.45 177.00 1h38 h ALA 615 N 0.94 0.26 -0.51 5.00 0.00 -1.69 -2.04 119.26 121.22 1h38 h ALA 615 Ca 0.11 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1h38 h ALA 615 Cb 0.33 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1h38 h ALA 615 CO -0.28 -0.01 0.34 -0.07 0.00 0.00 0.00 179.25 179.23 1h38 h LEU 616 N 0.09 0.58 -0.63 0.00 3.38 -1.06 -1.60 115.31 116.07 1h38 h LEU 616 Ca 0.05 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.07 1h38 h LEU 616 Cb 0.42 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 1h38 h LEU 616 CO 0.01 0.42 0.34 0.00 0.09 0.00 0.00 178.44 179.30 1h38 h ALA 617 N 1.19 0.84 -0.90 1.53 0.00 -0.35 -1.22 119.26 120.36 1h38 h ALA 617 Ca 0.19 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.23 1h38 h ALA 617 Cb -0.08 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.54 1h38 h ALA 617 CO -0.04 0.00 0.54 0.78 0.00 0.00 0.00 179.25 180.53 1h38 h GLY 618 N 0.63 1.43 0.83 0.00 0.00 -0.56 -0.66 103.07 104.74 1h38 h GLY 618 Ca 0.29 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1h38 h GLY 618 CO -0.19 0.14 -0.06 1.46 0.00 0.00 0.00 176.54 177.89 1h38 h GLN 619 N 0.88 -0.17 -0.03 4.80 4.20 -0.42 0.12 115.11 124.48 1h38 h GLN 619 Ca 0.44 0.01 0.02 0.00 0.06 0.00 0.00 58.65 59.18 1h38 h GLN 619 Cb 0.41 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 1h38 h GLN 619 CO -0.26 0.03 -0.09 -1.49 -0.67 0.00 0.00 178.83 176.36 1h38 h TRP 620 N -0.35 -0.22 -0.67 2.96 4.06 -1.02 0.60 115.95 121.32 1h38 h TRP 620 Ca -0.02 0.01 0.07 0.00 2.06 0.00 0.00 58.89 61.01 1h38 h TRP 620 Cb 0.28 0.10 -0.06 0.00 -1.00 0.00 0.00 29.16 28.48 1h38 h TRP 620 CO -0.02 -0.13 0.36 -0.07 -3.56 0.00 0.00 178.44 175.02 1h38 h LEU 621 N -0.14 0.52 -1.47 -4.49 3.38 -1.12 1.08 115.31 113.07 1h38 h LEU 621 Ca 0.04 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.12 1h38 h LEU 621 Cb 0.19 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1h38 h LEU 621 CO -0.11 0.33 0.44 0.00 0.09 0.00 0.00 178.44 179.19 1h38 h ALA 622 N 1.36 1.81 0.16 1.53 0.00 0.60 -2.59 119.26 122.14 1h38 h ALA 622 Ca 0.31 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.98 1h38 h ALA 622 Cb 0.23 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 17.89 1h38 h ALA 622 CO -0.20 0.07 -0.98 -0.92 0.00 0.00 0.00 179.25 177.22 1h38 h TYR 623 N 0.63 0.62 -0.21 0.00 3.20 0.24 -3.51 116.97 117.93 1h38 h TYR 623 Ca 0.29 -0.45 0.00 0.00 3.14 0.00 0.00 58.73 61.71 1h38 h TYR 623 Cb 0.34 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.59 1h38 h TYR 623 CO -0.00 1.38 0.00 0.41 -1.64 0.00 0.00 178.16 178.30 1h38 n GLY 624 N 1.68 -0.01 3.71 1.82 0.00 0.35 -5.07 105.19 107.67 1h38 n GLY 624 Ca -0.15 -0.80 -0.39 0.00 0.00 0.00 0.00 46.02 44.68 1h38 n GLY 624 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h38 s VAL 625 N 0.00 5.11 0.30 1.61 1.01 -1.25 -5.03 120.40 122.14 1h38 s VAL 625 Ca 0.00 1.20 0.06 0.00 0.00 0.00 0.00 61.98 63.23 1h38 s VAL 625 Cb 0.00 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 1h38 s VAL 625 CO 0.00 0.26 0.28 0.35 0.00 0.00 0.00 175.10 175.99 1h38 n THR 626 N 3.86 0.00 -0.21 3.92 -2.24 -1.26 -4.97 114.28 113.38 1h38 n THR 626 Ca -0.04 -2.06 0.28 0.00 -2.27 0.00 0.00 64.05 59.96 1h38 n THR 626 Cb 0.51 1.06 0.69 0.00 -2.10 0.00 0.00 70.33 70.49 1h38 n THR 626 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1h38 h ARG 627 N 0.00 0.06 -0.23 -0.78 0.11 -1.89 -0.16 114.38 111.49 1h38 h ARG 627 Ca -0.21 -0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.85 1h38 h ARG 627 Cb 1.06 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.11 1h38 h ARG 627 CO 0.31 0.04 0.10 0.77 0.10 0.00 0.00 179.97 181.29 1h38 h SER 628 N 0.07 0.28 1.70 0.08 0.02 -1.96 0.19 113.55 113.93 1h38 h SER 628 Ca 0.45 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.38 1h38 h SER 628 Cb 1.69 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 64.16 1h38 h SER 628 CO -0.04 0.25 -0.05 0.58 -1.14 0.00 0.00 176.83 176.43 1h38 h VAL 629 N 0.32 0.09 0.00 2.27 2.07 -1.42 -3.34 116.25 116.24 1h38 h VAL 629 Ca 0.08 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1h38 h VAL 629 Cb 0.05 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1h38 h VAL 629 CO -0.01 0.05 -1.14 0.35 0.02 0.00 0.00 177.57 176.84 1h38 n THR 630 N -3.12 0.00 0.00 2.57 -2.24 -0.69 -4.80 114.28 106.00 1h38 n THR 630 Ca 0.03 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1h38 n THR 630 Cb 0.49 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 1h38 n THR 630 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1h38 n LYS 631 N -1.65 0.00 -0.22 -0.78 4.81 0.58 -2.01 118.16 118.89 1h38 n LYS 631 Ca -0.01 0.78 0.02 0.00 -0.87 0.00 0.00 58.31 58.23 1h38 n LYS 631 Cb 0.22 -1.37 0.10 0.00 0.02 0.00 0.00 35.03 34.00 1h38 n LYS 631 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1h38 h ARG 632 N 0.00 0.08 -0.34 1.64 3.08 -1.87 -1.11 114.38 115.86 1h38 h ARG 632 Ca 0.00 -0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 1h38 h ARG 632 Cb 0.00 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 29.96 1h38 h ARG 632 CO 0.00 0.05 -0.13 0.77 -1.07 0.00 0.00 179.97 179.59 1h38 h SER 633 N 0.08 -0.45 0.31 7.04 0.02 -1.79 -0.03 113.55 118.73 1h38 h SER 633 Ca 0.34 0.12 -0.12 0.00 -0.84 0.00 0.00 61.79 61.29 1h38 h SER 633 Cb 0.56 0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.35 1h38 h SER 633 CO -0.60 -0.16 -0.49 1.62 -1.14 0.00 0.00 176.83 176.06 1h38 h VAL 634 N -0.07 1.34 -0.00 2.27 3.04 -0.75 -2.65 116.25 119.43 1h38 h VAL 634 Ca 0.17 -1.71 0.00 0.00 -1.01 0.00 0.00 66.70 64.15 1h38 h VAL 634 Cb 0.32 1.83 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 1h38 h VAL 634 CO -0.38 0.51 -0.05 1.15 -1.01 0.00 0.00 177.57 177.78 1h38 n MET 635 N -3.96 0.12 -0.16 4.17 0.00 -0.49 -2.54 117.12 114.25 1h38 n MET 635 Ca -0.02 -0.01 0.08 0.00 0.00 0.00 0.00 57.70 57.75 1h38 n MET 635 Cb 0.53 -1.50 0.17 0.00 0.00 0.00 0.00 33.22 32.42 1h38 n MET 635 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1h38 n THR 636 N -1.43 0.63 -0.31 3.17 -2.24 -0.11 -4.52 114.28 109.48 1h38 n THR 636 Ca 0.09 -0.82 -0.05 0.00 -2.27 0.00 0.00 64.05 61.00 1h38 n THR 636 Cb 0.32 0.81 0.07 0.00 -2.10 0.00 0.00 70.33 69.43 1h38 n THR 636 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1h38 h LEU 637 N 3.07 1.09 0.00 3.22 5.85 -1.19 -1.63 115.31 125.73 1h38 h LEU 637 Ca 0.00 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1h38 h LEU 637 Cb 0.78 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1h38 h LEU 637 CO 0.00 0.92 0.00 0.00 -0.34 0.00 0.00 178.44 179.02 1h38 n ALA 638 N -2.41 2.33 0.13 1.25 0.00 -1.26 -2.21 120.51 118.34 1h38 n ALA 638 Ca 0.08 -0.14 0.08 0.00 0.00 0.00 0.00 53.44 53.47 1h38 n ALA 638 Cb 0.13 -1.38 0.16 0.00 0.00 0.00 0.00 19.45 18.37 1h38 n ALA 638 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1h38 n TYR 639 N -1.07 0.40 0.00 0.00 4.01 -0.63 -4.15 117.16 115.73 1h38 n TYR 639 Ca 0.16 -0.29 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1h38 n TYR 639 Cb 0.10 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 1h38 n TYR 639 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1h38 n GLY 640 N 0.97 0.44 3.77 2.72 0.00 -0.94 -4.89 105.19 107.27 1h38 n GLY 640 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1h38 n GLY 640 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h38 s SER 641 N -2.07 6.77 0.00 1.61 1.04 -1.11 -5.02 113.70 114.93 1h38 s SER 641 Ca 0.00 2.16 0.00 0.00 0.48 0.00 0.00 55.95 58.59 1h38 s SER 641 Cb 0.00 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1h38 s SER 641 CO 0.00 -0.49 0.00 0.29 0.98 0.00 0.00 173.24 174.02 1h38 n LYS 642 N 0.18 0.58 -0.18 4.02 5.02 -1.26 -4.51 118.16 122.00 1h38 n LYS 642 Ca 0.04 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.28 1h38 n LYS 642 Cb 0.48 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.44 1h38 n LYS 642 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1h38 h GLU 643 N 0.00 -0.02 -0.92 1.97 4.81 -1.95 -0.14 114.58 118.34 1h38 h GLU 643 Ca 0.00 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.35 1h38 h GLU 643 Cb 0.00 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.25 1h38 h GLU 643 CO 0.00 -0.01 -0.47 0.35 -0.73 0.00 0.00 179.01 178.15 1h38 h PHE 644 N -0.02 -1.42 -0.02 0.92 3.57 -1.97 0.19 116.94 118.20 1h38 h PHE 644 Ca 0.07 0.11 0.01 0.00 3.53 0.00 0.00 57.97 61.69 1h38 h PHE 644 Cb 0.20 0.75 -0.00 0.00 2.79 0.00 0.00 35.95 39.68 1h38 h PHE 644 CO -0.95 -0.40 0.02 0.78 -2.23 0.00 0.00 178.31 175.53 1h38 h GLY 645 N -0.04 0.00 2.00 2.40 0.00 -1.46 -2.19 103.07 103.77 1h38 h GLY 645 Ca 0.25 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.48 1h38 h GLY 645 CO -0.92 0.00 -0.46 0.74 0.00 0.00 0.00 176.54 175.91 1h38 h PHE 646 N 0.00 0.00 0.05 5.60 0.04 0.83 -3.24 116.94 120.22 1h38 h PHE 646 Ca 0.01 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.81 1h38 h PHE 646 Cb 0.05 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.16 1h38 h PHE 646 CO 0.00 0.46 -0.25 0.00 -0.60 0.00 0.00 178.31 177.92 1h38 h ARG 647 N 0.00 -0.40 -0.37 1.51 3.08 -1.22 0.57 114.38 117.56 1h38 h ARG 647 Ca -0.00 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.11 1h38 h ARG 647 Cb 0.90 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 31.00 1h38 h ARG 647 CO 0.06 -0.26 0.13 0.37 -1.07 0.00 0.00 179.97 179.20 1h38 h GLN 648 N -0.41 0.28 0.21 0.04 5.75 -1.71 0.73 115.11 119.99 1h38 h GLN 648 Ca 0.05 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.54 1h38 h GLN 648 Cb 0.47 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.93 1h38 h GLN 648 CO -0.19 0.18 -0.26 1.96 -2.65 0.00 0.00 178.83 177.88 1h38 h GLN 649 N 0.29 -0.50 -0.21 1.69 4.20 -1.47 -0.67 115.11 118.43 1h38 h GLN 649 Ca 0.17 0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.91 1h38 h GLN 649 Cb 0.14 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1h38 h GLN 649 CO -0.17 -0.33 0.13 0.28 -0.67 0.00 0.00 178.83 178.07 1h38 h VAL 650 N -0.52 1.08 -0.89 -0.54 2.07 -0.70 0.48 116.25 117.24 1h38 h VAL 650 Ca 0.01 -0.20 0.11 0.00 0.82 0.00 0.00 66.70 67.44 1h38 h VAL 650 Cb 0.50 0.83 -0.07 0.00 -1.52 0.00 0.00 31.29 31.04 1h38 h VAL 650 CO -0.09 0.08 0.57 0.25 0.02 0.00 0.00 177.57 178.40 1h38 h LEU 651 N 0.26 0.77 -0.98 2.57 7.12 -0.57 -1.88 115.31 122.60 1h38 h LEU 651 Ca 0.08 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.11 1h38 h LEU 651 Cb 0.02 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.01 1h38 h LEU 651 CO -0.01 0.44 -0.23 -1.84 -0.13 0.00 0.00 178.44 176.66 1h38 n GLU 652 N -4.54 1.67 -0.01 1.25 0.28 -0.28 -0.28 120.64 118.73 1h38 n GLU 652 Ca 0.16 -0.86 0.10 0.00 -0.16 0.00 0.00 57.16 56.40 1h38 n GLU 652 Cb 0.34 -1.22 -0.16 0.00 1.43 0.00 0.00 31.44 31.83 1h38 n GLU 652 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1h38 n ASP 653 N 0.02 0.23 0.08 -1.84 8.00 0.17 -4.53 116.55 118.67 1h38 n ASP 653 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1h38 n ASP 653 Cb 0.31 1.93 0.00 0.00 -0.02 0.00 0.00 41.12 43.34 1h38 n ASP 653 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1h38 n THR 654 N -2.24 0.08 -0.16 -3.53 -2.24 -0.76 -4.76 114.28 100.68 1h38 n THR 654 Ca -0.04 0.03 -0.02 0.00 -2.27 0.00 0.00 64.05 61.74 1h38 n THR 654 Cb 0.56 -0.62 0.07 0.00 -2.10 0.00 0.00 70.33 68.23 1h38 n THR 654 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1h38 h ILE 655 N 0.00 0.67 0.11 2.28 2.04 -1.54 0.13 117.51 121.21 1h38 h ILE 655 Ca 0.00 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1h38 h ILE 655 Cb 0.05 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1h38 h ILE 655 CO 0.00 0.03 -0.05 -0.61 0.00 0.00 0.00 178.15 177.52 1h38 h GLN 656 N 0.19 -0.14 -1.02 2.37 5.75 -0.86 -2.91 115.11 118.49 1h38 h GLN 656 Ca 0.25 0.01 0.25 0.00 -0.15 0.00 0.00 58.65 59.01 1h38 h GLN 656 Cb 0.36 0.03 -0.09 0.00 1.07 0.00 0.00 27.48 28.85 1h38 h GLN 656 CO -0.37 -0.09 0.65 -1.00 -2.65 0.00 0.00 178.83 175.37 1h38 h PRO 657 N -0.15 0.43 0.19 -2.39 0.13 -1.78 -1.63 132.00 126.80 1h38 h PRO 657 Ca -0.01 -0.03 0.01 0.00 -0.87 0.00 0.00 66.00 65.10 1h38 h PRO 657 Cb 0.11 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 31.10 1h38 h PRO 657 CO 0.02 0.28 -0.49 0.00 -0.23 0.00 0.00 178.00 177.59 1h38 h ALA 658 N 1.63 -1.01 -0.24 -0.56 0.00 -0.90 0.20 119.26 118.38 1h38 h ALA 658 Ca 0.58 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1h38 h ALA 658 Cb 1.40 0.83 -0.01 0.00 0.00 0.00 0.00 17.79 20.01 1h38 h ALA 658 CO -0.30 -1.11 0.15 0.82 0.00 0.00 0.00 179.25 178.81 1h38 h ILE 659 N -0.76 1.08 0.00 0.00 2.04 -1.12 -1.02 117.51 117.73 1h38 h ILE 659 Ca -0.02 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1h38 h ILE 659 Cb 0.73 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1h38 h ILE 659 CO -0.22 0.08 0.00 0.44 0.00 0.00 0.00 178.15 178.45 1h38 h ASP 660 N 0.31 0.00 -0.39 1.72 3.32 -1.13 -1.04 116.42 119.22 1h38 h ASP 660 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1h38 h ASP 660 Cb -0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1h38 h ASP 660 CO -0.02 0.00 0.00 -1.20 -1.72 0.00 0.00 179.24 176.30 1h38 n SER 661 N -2.79 3.42 0.00 6.45 7.64 0.69 -4.95 113.62 124.08 1h38 n SER 661 Ca -0.01 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 57.88 1h38 n SER 661 Cb 0.13 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 1h38 n SER 661 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1h38 n GLY 662 N 1.50 3.29 0.00 0.23 0.00 -0.39 -5.05 105.19 104.77 1h38 n GLY 662 Ca 0.19 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1h38 n GLY 662 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1h38 n LYS 663 N 0.00 2.40 -0.71 1.61 4.81 -0.46 -4.38 118.16 121.44 1h38 n LYS 663 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1h38 n LYS 663 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1h38 n LYS 663 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1h38 n GLY 664 N 1.22 0.33 0.36 3.14 0.00 -1.24 -3.46 105.19 105.55 1h38 n GLY 664 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1h38 n GLY 664 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1h38 h LEU 665 N 0.00 0.31 -1.50 0.99 3.38 -1.90 0.17 115.31 116.76 1h38 h LEU 665 Ca 0.00 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1h38 h LEU 665 Cb 0.07 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1h38 h LEU 665 CO 0.00 0.18 -0.18 0.00 0.09 0.00 0.00 178.44 178.52 1h38 h MET 666 N 0.34 0.00 -4.40 1.13 -0.00 -1.92 -3.36 114.93 106.71 1h38 h MET 666 Ca 0.29 0.00 -0.71 0.00 -0.00 0.00 0.00 59.70 59.28 1h38 h MET 666 Cb 0.70 0.00 -0.08 0.00 -0.00 0.00 0.00 31.60 32.21 1h38 h MET 666 CO -0.08 0.18 2.56 1.19 -0.00 0.00 0.00 176.91 180.77 1h38 n PHE 667 N -3.51 3.81 0.15 -0.10 3.72 0.59 -4.77 117.46 117.34 1h38 n PHE 667 Ca -0.01 -2.94 -0.14 0.00 -0.05 0.00 0.00 57.45 54.31 1h38 n PHE 667 Cb 0.34 -2.43 -0.08 0.00 -0.94 0.00 0.00 39.48 36.37 1h38 n PHE 667 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1h38 h THR 668 N 4.37 0.78 -3.26 4.37 2.02 -1.80 -3.33 112.91 116.06 1h38 h THR 668 Ca 0.49 -0.04 -0.67 0.00 0.77 0.00 0.00 66.41 66.96 1h38 h THR 668 Cb 0.71 0.80 -0.38 0.00 -1.74 0.00 0.00 68.15 67.54 1h38 h THR 668 CO 1.69 0.01 -0.29 -1.10 0.37 0.00 0.00 175.52 176.19 1h38 s GLN 669 N -6.07 2.91 0.14 6.66 1.11 -1.26 -4.98 119.66 118.17 1h38 s GLN 669 Ca -0.15 -3.22 -0.17 0.00 0.01 0.00 0.00 55.36 51.83 1h38 s GLN 669 Cb 0.05 -3.74 0.06 0.00 -1.01 0.00 0.00 33.01 28.37 1h38 s GLN 669 CO 0.64 -1.26 1.07 -2.30 0.01 0.00 0.00 175.29 173.46 1h38 n PRO 670 N 2.33 -0.23 -0.23 2.91 -0.02 -1.25 0.10 135.00 138.60 1h38 n PRO 670 Ca 0.19 1.06 -0.04 0.00 -2.02 0.00 0.00 63.50 62.69 1h38 n PRO 670 Cb 0.36 -1.56 0.07 0.00 -0.02 0.00 0.00 33.50 32.35 1h38 n PRO 670 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1h38 h ASN 671 N 0.00 0.66 -0.56 2.55 4.21 -1.95 0.26 115.58 120.74 1h38 h ASN 671 Ca 0.18 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.65 1h38 h ASN 671 Cb 0.35 -0.14 -0.03 0.00 -1.12 0.00 0.00 38.32 37.39 1h38 h ASN 671 CO -0.67 0.45 0.21 1.56 -1.29 0.00 0.00 177.43 177.69 1h38 h GLN 672 N 0.79 0.90 -0.14 0.81 4.20 -0.77 -0.20 115.11 120.70 1h38 h GLN 672 Ca 0.27 -0.16 -0.20 0.00 0.06 0.00 0.00 58.65 58.62 1h38 h GLN 672 Cb 0.04 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.67 1h38 h GLN 672 CO -0.11 0.76 -0.72 0.00 -0.67 0.00 0.00 178.83 178.09 1h38 h ALA 673 N 1.35 0.46 -0.29 3.87 0.00 -0.37 -2.38 119.26 121.89 1h38 h ALA 673 Ca 0.20 -0.59 -0.15 0.00 0.00 0.00 0.00 54.91 54.38 1h38 h ALA 673 Cb 0.23 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1h38 h ALA 673 CO -0.01 0.71 -0.39 0.00 0.00 0.00 0.00 179.25 179.56 1h38 h ALA 674 N 0.74 0.44 -0.92 0.00 0.00 -0.22 -1.99 119.26 117.30 1h38 h ALA 674 Ca -0.03 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1h38 h ALA 674 Cb 1.32 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1h38 h ALA 674 CO 0.14 0.54 0.56 0.78 0.00 0.00 0.00 179.25 181.27 1h38 h GLY 675 N 0.55 1.34 0.86 0.00 0.00 -1.07 -0.43 103.07 104.32 1h38 h GLY 675 Ca 0.03 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1h38 h GLY 675 CO 0.09 0.54 -0.11 -1.82 0.00 0.00 0.00 176.54 175.24 1h38 h TYR 676 N 1.27 -0.29 -0.84 5.60 3.20 -1.36 -1.92 116.97 122.64 1h38 h TYR 676 Ca 0.33 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.23 1h38 h TYR 676 Cb -0.06 0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.25 1h38 h TYR 676 CO 0.00 -0.07 0.53 1.98 -1.64 0.00 0.00 178.16 178.96 1h38 h MET 677 N -0.45 1.00 -0.45 1.82 4.05 -1.09 -1.16 114.93 118.65 1h38 h MET 677 Ca -0.03 -0.06 0.05 0.00 -0.28 0.00 0.00 59.70 59.38 1h38 h MET 677 Cb 0.34 -0.22 -0.04 0.00 -0.80 0.00 0.00 31.60 30.87 1h38 h MET 677 CO 0.05 0.66 0.19 0.00 0.23 0.00 0.00 176.91 178.04 1h38 h ALA 678 N 1.36 0.55 -0.76 0.39 0.00 -0.96 0.74 119.26 120.58 1h38 h ALA 678 Ca 0.34 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.40 1h38 h ALA 678 Cb 0.05 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 1h38 h ALA 678 CO -0.13 -0.18 0.39 -0.22 0.00 0.00 0.00 179.25 179.11 1h38 h LYS 679 N 0.39 0.61 -0.10 0.00 1.63 -0.44 0.24 116.57 118.90 1h38 h LYS 679 Ca 0.20 -0.04 -0.23 0.00 -0.85 0.00 0.00 60.65 59.74 1h38 h LYS 679 Cb 0.16 -0.14 0.01 0.00 -0.60 0.00 0.00 32.23 31.66 1h38 h LYS 679 CO -0.18 0.40 -0.84 -0.07 -3.45 0.00 0.00 179.45 175.32 1h38 h LEU 680 N 0.63 0.92 -1.11 5.20 4.07 -0.06 -1.89 115.31 123.06 1h38 h LEU 680 Ca 0.38 -0.67 -0.07 0.00 0.08 0.00 0.00 57.88 57.61 1h38 h LEU 680 Cb 0.44 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.89 1h38 h LEU 680 CO -0.29 1.44 -0.09 0.40 -1.08 0.00 0.00 178.44 178.82 1h38 h ILE 681 N 0.46 1.22 -0.11 1.22 2.04 0.11 -0.81 117.51 121.65 1h38 h ILE 681 Ca -0.08 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 64.80 1h38 h ILE 681 Cb 1.48 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 38.65 1h38 h ILE 681 CO 0.17 0.32 -0.01 -0.25 0.00 0.00 0.00 178.15 178.38 1h38 h TRP 682 N 0.48 0.22 -0.05 1.37 -0.00 -0.47 -1.48 115.95 116.02 1h38 h TRP 682 Ca 0.09 -0.04 -0.04 0.00 -0.00 0.00 0.00 58.89 58.90 1h38 h TRP 682 Cb 0.46 -0.06 -0.01 0.00 -0.00 0.00 0.00 29.16 29.55 1h38 h TRP 682 CO 0.02 0.46 -0.18 0.93 -0.00 0.00 0.00 178.44 179.67 1h38 h GLU 683 N -0.08 0.07 -0.01 2.65 5.08 -1.13 -1.49 114.58 119.66 1h38 h GLU 683 Ca 0.03 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 58.15 1h38 h GLU 683 Cb 0.38 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1h38 h GLU 683 CO 0.01 0.25 -0.93 0.77 -1.00 0.00 0.00 179.01 178.11 1h38 h SER 684 N 0.07 0.56 0.29 1.42 0.02 -0.97 -3.26 113.55 111.68 1h38 h SER 684 Ca 0.01 -0.44 -0.30 0.00 -0.84 0.00 0.00 61.79 60.22 1h38 h SER 684 Cb 0.36 -0.17 0.03 0.00 0.14 0.00 0.00 62.40 62.76 1h38 h SER 684 CO 0.02 1.23 -1.31 -0.37 -1.14 0.00 0.00 176.83 175.27 1h38 h VAL 685 N 0.25 1.34 0.00 2.27 -1.51 -1.06 -3.06 116.25 114.47 1h38 h VAL 685 Ca -0.08 -2.66 0.00 0.00 -1.23 0.00 0.00 66.70 62.73 1h38 h VAL 685 Cb 1.56 2.84 0.00 0.00 -2.13 0.00 0.00 31.29 33.56 1h38 h VAL 685 CO 0.16 0.80 0.00 -1.54 -1.23 0.00 0.00 177.57 175.76 1h38 n SER 686 N -3.71 0.44 -0.24 4.19 3.41 -0.58 -1.15 113.62 115.98 1h38 n SER 686 Ca -0.13 0.69 0.03 0.00 -0.26 0.00 0.00 58.87 59.20 1h38 n SER 686 Cb 1.02 -0.75 0.02 0.00 -0.26 0.00 0.00 64.21 64.24 1h38 n SER 686 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1h38 n VAL 687 N -2.08 0.00 -0.10 -3.33 0.24 -1.22 -3.87 118.33 107.97 1h38 n VAL 687 Ca -0.01 -0.48 -0.12 0.00 -2.04 0.00 0.00 64.34 61.69 1h38 n VAL 687 Cb 0.05 1.13 -0.11 0.00 -1.47 0.00 0.00 33.84 33.44 1h38 n VAL 687 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1h38 n THR 688 N 0.19 1.17 -2.53 3.34 -1.04 -0.30 -4.58 114.28 110.53 1h38 n THR 688 Ca 0.04 -0.54 -0.20 0.00 -2.04 0.00 0.00 64.05 61.30 1h38 n THR 688 Cb 0.16 -1.01 0.01 0.00 -1.82 0.00 0.00 70.33 67.68 1h38 n THR 688 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1h38 n VAL 689 N -2.94 1.91 -0.35 12.58 0.24 -0.30 -1.58 118.33 127.89 1h38 n VAL 689 Ca -0.33 -4.25 0.07 0.00 -2.04 0.00 0.00 64.34 57.78 1h38 n VAL 689 Cb 0.94 -0.58 0.15 0.00 -1.47 0.00 0.00 33.84 32.88 1h38 n VAL 689 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1h38 n VAL 690 N -0.36 -0.41 0.13 3.34 0.31 -1.25 -0.85 118.33 119.25 1h38 n VAL 690 Ca 0.29 2.20 -0.14 0.00 -0.01 0.00 0.00 64.34 66.68 1h38 n VAL 690 Cb 0.73 -3.06 -0.06 0.00 -0.91 0.00 0.00 33.84 30.53 1h38 n VAL 690 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1h38 h ALA 691 N 1.93 -0.62 -0.91 3.52 0.00 -1.90 -1.26 119.26 120.02 1h38 h ALA 691 Ca 0.48 -0.07 0.15 0.00 0.00 0.00 0.00 54.91 55.47 1h38 h ALA 691 Cb 0.75 0.56 -0.09 0.00 0.00 0.00 0.00 17.79 19.01 1h38 h ALA 691 CO -0.99 -0.91 0.52 0.00 0.00 0.00 0.00 179.25 177.88 1h38 h ALA 692 N -0.01 1.41 -0.34 0.00 0.00 -1.25 0.20 119.26 119.28 1h38 h ALA 692 Ca 0.02 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1h38 h ALA 692 Cb 0.61 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1h38 h ALA 692 CO -0.18 -0.01 -0.30 0.28 0.00 0.00 0.00 179.25 179.03 1h38 h VAL 693 N 0.73 1.29 0.08 0.00 2.07 -0.85 -2.92 116.25 116.64 1h38 h VAL 693 Ca 0.50 -1.46 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 1h38 h VAL 693 Cb 0.67 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1h38 h VAL 693 CO -0.34 0.48 -0.04 -0.33 0.02 0.00 0.00 177.57 177.36 1h38 h GLU 694 N 0.59 -0.10 -0.42 1.57 5.08 -0.47 -2.30 114.58 118.51 1h38 h GLU 694 Ca 0.06 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.50 1h38 h GLU 694 Cb 0.87 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.08 1h38 h GLU 694 CO 0.08 0.28 0.02 0.00 -1.00 0.00 0.00 179.01 178.39 1h38 h ALA 695 N 0.37 0.41 -0.87 3.43 0.00 -1.07 0.18 119.26 121.71 1h38 h ALA 695 Ca -0.01 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1h38 h ALA 695 Cb 0.43 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1h38 h ALA 695 CO 0.02 -0.37 0.48 0.52 0.00 0.00 0.00 179.25 179.90 1h38 h MET 696 N 0.14 1.21 -0.72 0.00 2.86 -1.54 -0.34 114.93 116.54 1h38 h MET 696 Ca 0.21 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1h38 h MET 696 Cb 0.29 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 1h38 h MET 696 CO -0.33 0.88 0.39 -0.91 1.06 0.00 0.00 176.91 178.01 1h38 h ASN 697 N 1.22 0.90 0.57 1.22 2.35 -0.65 0.52 115.58 121.71 1h38 h ASN 697 Ca 0.31 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 1h38 h ASN 697 Cb 0.02 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 38.16 1h38 h ASN 697 CO -0.05 0.74 -0.28 -0.25 -1.65 0.00 0.00 177.43 175.94 1h38 h TRP 698 N 0.99 -0.71 -1.05 1.19 7.01 -0.35 -1.05 115.95 121.97 1h38 h TRP 698 Ca 0.25 -0.02 0.28 0.00 2.11 0.00 0.00 58.89 61.52 1h38 h TRP 698 Cb 0.04 0.24 -0.08 0.00 -2.10 0.00 0.00 29.16 27.26 1h38 h TRP 698 CO -0.00 -0.44 0.71 -0.07 -2.79 0.00 0.00 178.44 175.84 1h38 h LEU 699 N -0.80 0.29 -0.48 0.65 3.38 -0.99 0.99 115.31 118.35 1h38 h LEU 699 Ca -0.08 0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 1h38 h LEU 699 Cb 0.59 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1h38 h LEU 699 CO 0.13 0.06 -0.58 0.50 0.09 0.00 0.00 178.44 178.64 1h38 h LYS 700 N 0.26 0.56 -0.45 1.13 3.64 -0.66 -2.54 116.57 118.51 1h38 h LYS 700 Ca 0.57 -0.37 -0.13 0.00 -1.27 0.00 0.00 60.65 59.45 1h38 h LYS 700 Cb 1.70 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.55 1h38 h LYS 700 CO -0.19 0.98 -0.21 0.66 -2.27 0.00 0.00 179.45 178.42 1h38 h SER 701 N 0.43 0.94 0.46 4.20 4.64 0.23 -1.77 113.55 122.67 1h38 h SER 701 Ca 0.00 -0.35 -0.02 0.00 -0.47 0.00 0.00 61.79 60.95 1h38 h SER 701 Cb 1.13 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1h38 h SER 701 CO 0.11 1.11 -0.22 0.00 -0.87 0.00 0.00 176.83 176.96 1h38 h ALA 702 N 0.95 -0.61 -0.40 5.18 0.00 -0.99 -2.38 119.26 121.01 1h38 h ALA 702 Ca 0.11 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.95 1h38 h ALA 702 Cb 0.77 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1h38 h ALA 702 CO 0.06 -0.81 0.28 0.00 0.00 0.00 0.00 179.25 178.78 1h38 h ALA 703 N -0.17 2.19 0.54 0.00 0.00 -1.39 -1.39 119.26 119.04 1h38 h ALA 703 Ca -0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1h38 h ALA 703 Cb 0.51 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1h38 h ALA 703 CO 0.10 -0.29 -0.26 -0.22 0.00 0.00 0.00 179.25 178.59 1h38 h LYS 704 N 0.15 -0.70 0.47 0.00 3.64 -0.94 -1.13 116.57 118.06 1h38 h LYS 704 Ca 0.19 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1h38 h LYS 704 Cb 0.55 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1h38 h LYS 704 CO -0.03 -0.42 -0.41 -0.07 -2.27 0.00 0.00 179.45 176.26 1h38 h LEU 705 N -0.85 -1.09 -1.65 5.20 3.38 -0.90 -2.08 115.31 117.33 1h38 h LEU 705 Ca -0.07 0.08 0.38 0.00 0.09 0.00 0.00 57.88 58.36 1h38 h LEU 705 Cb 0.60 0.35 -0.09 0.00 0.09 0.00 0.00 40.66 41.61 1h38 h LEU 705 CO 0.12 -0.56 0.88 -0.07 0.09 0.00 0.00 178.44 178.91 1h38 h LEU 706 N -0.86 0.19 -1.38 1.67 3.38 -1.32 0.60 115.31 117.60 1h38 h LEU 706 Ca -0.06 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1h38 h LEU 706 Cb 0.73 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1h38 h LEU 706 CO -0.01 -0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.48 1h38 n ALA 707 N -2.64 2.53 -1.76 1.53 0.00 -0.43 -0.07 120.51 119.67 1h38 n ALA 707 Ca 0.32 -0.55 -0.31 0.00 0.00 0.00 0.00 53.44 52.89 1h38 n ALA 707 Cb 1.31 -1.01 0.02 0.00 0.00 0.00 0.00 19.45 19.77 1h38 n ALA 707 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h38 s ALA 708 N -2.00 2.95 -0.78 0.00 0.00 0.21 -4.66 121.76 117.47 1h38 s ALA 708 Ca 0.34 0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.35 1h38 s ALA 708 Cb 0.21 -3.12 0.25 0.00 0.00 0.00 0.00 23.12 20.45 1h38 s ALA 708 CO 0.32 -0.80 0.89 -1.91 0.00 0.00 0.00 175.76 174.26 1h38 n GLU 709 N -2.68 2.92 -1.80 0.00 2.13 -1.26 -3.63 120.64 116.32 1h38 n GLU 709 Ca 0.07 -4.60 -0.42 0.00 0.66 0.00 0.00 57.16 52.86 1h38 n GLU 709 Cb 0.54 -2.34 -0.03 0.00 0.27 0.00 0.00 31.44 29.88 1h38 n GLU 709 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1h38 s VAL 710 N -2.29 2.31 0.17 6.31 0.11 -1.16 -4.91 120.40 120.94 1h38 s VAL 710 Ca 0.35 0.17 -0.00 0.00 -2.93 0.00 0.00 61.98 59.56 1h38 s VAL 710 Cb 0.08 -3.11 -0.04 0.00 -1.53 0.00 0.00 36.38 31.77 1h38 s VAL 710 CO -0.02 0.01 0.07 -0.54 -3.33 0.00 0.00 175.10 171.29 1h38 s LYS 711 N 1.43 1.10 -0.47 1.54 1.02 -1.26 -1.47 119.74 121.64 1h38 s LYS 711 Ca 0.74 -1.55 -0.18 0.00 0.02 0.00 0.00 55.97 55.00 1h38 s LYS 711 Cb -0.47 0.08 0.05 0.00 -0.52 0.00 0.00 37.83 36.97 1h38 s LYS 711 CO 0.32 -0.27 0.51 0.34 -0.92 0.00 0.00 175.35 175.33 1h38 s ASP 712 N -3.14 6.20 -1.21 2.83 2.15 -0.79 -4.90 116.67 117.82 1h38 s ASP 712 Ca 0.30 -0.88 -0.08 0.00 0.43 0.00 0.00 52.55 52.32 1h38 s ASP 712 Cb 0.07 -2.25 -0.11 0.00 -0.30 0.00 0.00 42.92 40.33 1h38 s ASP 712 CO 0.06 -0.73 2.91 1.17 -0.17 0.00 0.00 175.17 178.42 1h38 n LYS 713 N 5.78 3.10 0.00 4.34 3.00 -1.26 0.52 118.16 133.64 1h38 n LYS 713 Ca -0.08 -1.84 0.00 0.00 -0.00 0.00 0.00 58.31 56.39 1h38 n LYS 713 Cb 0.46 -2.59 0.00 0.00 0.00 0.00 0.00 35.03 32.90 1h38 n LYS 713 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1h38 n LYS 714 N 3.48 0.51 0.00 1.64 4.76 -1.26 -4.82 118.16 122.47 1h38 n LYS 714 Ca 0.66 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 56.10 1h38 n LYS 714 Cb 0.33 -0.04 0.00 0.00 -1.84 0.00 0.00 35.03 33.48 1h38 n LYS 714 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1h38 n THR 715 N 0.00 0.00 -1.34 -0.18 -1.04 -0.36 -5.00 114.28 106.35 1h38 n THR 715 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 1h38 n THR 715 Cb 0.00 0.13 -0.05 0.00 -1.82 0.00 0.00 70.33 68.59 1h38 n THR 715 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1h38 n GLY 716 N 0.00 1.22 3.76 3.41 0.00 0.18 -4.96 105.19 108.81 1h38 n GLY 716 Ca 0.00 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 1h38 n GLY 716 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h38 s GLU 717 N -2.87 4.70 -0.47 1.61 2.12 -1.23 -4.85 118.70 117.70 1h38 s GLU 717 Ca 0.00 1.33 -0.28 0.00 0.36 0.00 0.00 54.97 56.38 1h38 s GLU 717 Cb 0.00 -3.29 0.03 0.00 0.26 0.00 0.00 34.13 31.13 1h38 s GLU 717 CO 0.00 0.50 1.06 0.42 -0.54 0.00 0.00 175.26 176.70 1h38 s ILE 718 N -0.98 4.30 0.05 -3.70 1.01 -1.26 -1.88 121.20 118.75 1h38 s ILE 718 Ca 0.39 1.04 -0.04 0.00 0.00 0.00 0.00 60.65 62.04 1h38 s ILE 718 Cb -0.24 -4.55 -0.28 0.00 0.01 0.00 0.00 42.46 37.40 1h38 s ILE 718 CO 0.29 -0.96 1.06 -0.07 0.00 0.00 0.00 174.94 175.26 1h38 h LEU 719 N 11.01 0.42 -7.10 2.97 4.07 -1.60 -3.45 115.31 121.62 1h38 h LEU 719 Ca -0.23 -0.48 -0.28 0.00 0.08 0.00 0.00 57.88 56.96 1h38 h LEU 719 Cb 1.07 -0.14 -0.35 0.00 1.08 0.00 0.00 40.66 42.32 1h38 h LEU 719 CO 1.09 1.39 -0.61 -0.60 -1.08 0.00 0.00 178.44 178.63 1h38 s ARG 720 N -2.64 0.11 0.86 1.13 3.52 -0.99 -5.06 118.95 115.88 1h38 s ARG 720 Ca -0.05 0.50 -0.11 0.00 -0.13 0.00 0.00 55.73 55.93 1h38 s ARG 720 Cb 0.07 -0.50 0.11 0.00 -1.56 0.00 0.00 34.95 33.07 1h38 s ARG 720 CO 0.88 -0.41 1.09 0.21 -0.81 0.00 0.00 175.30 176.26 1h38 s LYS 721 N 2.33 1.52 -0.15 5.12 2.20 -1.26 -2.97 119.74 126.54 1h38 s LYS 721 Ca 0.04 0.84 -0.29 0.00 -0.36 0.00 0.00 55.97 56.20 1h38 s LYS 721 Cb -0.13 -1.84 -0.05 0.00 -1.51 0.00 0.00 37.83 34.30 1h38 s LYS 721 CO -0.08 -2.06 1.86 1.03 -0.36 0.00 0.00 175.35 175.73 1h38 s ARG 722 N -4.96 3.72 0.12 4.03 0.52 -1.24 -4.83 118.95 116.31 1h38 s ARG 722 Ca 0.63 2.00 -0.08 0.00 -0.52 0.00 0.00 55.73 57.76 1h38 s ARG 722 Cb -0.17 -4.15 -0.06 0.00 0.52 0.00 0.00 34.95 31.08 1h38 s ARG 722 CO 0.56 -1.41 0.41 0.00 0.02 0.00 0.00 175.30 174.88 1h38 s ALA 724 N -1.54 2.10 -0.14 0.00 0.00 -1.26 -3.73 121.76 117.18 1h38 s ALA 724 Ca 0.38 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.42 1h38 s ALA 724 Cb -0.13 -2.88 -0.00 0.00 0.00 0.00 0.00 23.12 20.11 1h38 s ALA 724 CO 0.21 -2.34 -0.18 0.08 0.00 0.00 0.00 175.76 173.53 1h38 s VAL 725 N -3.62 2.50 0.04 0.00 1.01 -0.76 -4.93 120.40 114.64 1h38 s VAL 725 Ca 0.69 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 61.90 1h38 s VAL 725 Cb -0.08 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 1h38 s VAL 725 CO 0.52 0.53 -0.19 -2.28 0.00 0.00 0.00 175.10 173.68 1h38 s HIS 726 N 0.67 1.69 0.37 5.22 5.04 -1.26 -0.19 115.29 126.82 1h38 s HIS 726 Ca -0.09 -0.37 -0.13 0.00 -1.54 0.00 0.00 55.06 52.93 1h38 s HIS 726 Cb -0.16 -1.00 0.04 0.00 0.04 0.00 0.00 32.58 31.50 1h38 s HIS 726 CO 0.02 0.08 0.72 1.67 -2.34 0.00 0.00 174.74 174.89 1h38 s TRP 727 N -0.82 0.31 -0.03 3.88 -2.14 -0.85 -4.73 118.94 114.55 1h38 s TRP 727 Ca 0.06 -0.88 -0.01 0.00 2.66 0.00 0.00 56.10 57.94 1h38 s TRP 727 Cb -0.09 0.63 0.03 0.00 -3.10 0.00 0.00 33.47 30.94 1h38 s TRP 727 CO 0.02 -1.46 0.04 0.08 -2.66 0.00 0.00 176.95 172.97 1h38 s VAL 728 N -2.57 -0.04 0.64 -0.66 1.01 -1.26 -1.28 120.40 116.24 1h38 s VAL 728 Ca 0.18 0.29 -0.18 0.00 0.00 0.00 0.00 61.98 62.28 1h38 s VAL 728 Cb -0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 36.38 36.18 1h38 s VAL 728 CO 0.13 0.14 1.23 0.42 0.00 0.00 0.00 175.10 177.02 1h38 s THR 729 N 1.60 2.41 0.56 3.92 -4.23 0.85 -4.87 115.64 115.87 1h38 s THR 729 Ca -0.02 0.24 0.34 0.00 -1.18 0.00 0.00 61.69 61.07 1h38 s THR 729 Cb -0.13 -3.01 0.51 0.00 1.34 0.00 0.00 72.50 71.21 1h38 s THR 729 CO -0.03 -0.07 1.79 -0.65 -0.54 0.00 0.00 174.62 175.12 1h38 h PRO 730 N 0.48 0.00 -0.61 3.99 0.11 -1.93 0.18 132.00 134.23 1h38 h PRO 730 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1h38 h PRO 730 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1h38 h PRO 730 CO 0.53 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.92 1h38 n ASP 731 N -4.05 5.47 0.00 -2.05 5.75 -1.26 -4.92 116.55 115.49 1h38 n ASP 731 Ca 0.22 -2.83 0.00 0.00 -0.01 0.00 0.00 54.79 52.17 1h38 n ASP 731 Cb 1.15 -0.67 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1h38 n ASP 731 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h38 n GLY 732 N 0.70 0.08 3.68 6.12 0.00 0.64 -4.25 105.19 112.16 1h38 n GLY 732 Ca 0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 1h38 n GLY 732 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1h38 s PHE 733 N -2.00 3.27 0.06 1.61 5.36 -1.24 -4.78 117.98 120.26 1h38 s PHE 733 Ca 0.00 1.34 -0.17 0.00 -0.96 0.00 0.00 56.93 57.14 1h38 s PHE 733 Cb 0.00 -3.34 -0.06 0.00 -0.34 0.00 0.00 43.02 39.28 1h38 s PHE 733 CO 0.00 -0.92 0.51 -1.25 -1.46 0.00 0.00 175.22 172.10 1h38 s PRO 734 N 2.41 4.07 -0.00 10.12 0.04 -1.26 -0.11 135.00 150.26 1h38 s PRO 734 Ca 0.52 0.58 0.02 0.00 0.04 0.00 0.00 61.00 62.17 1h38 s PRO 734 Cb -0.21 -3.18 -0.01 0.00 0.04 0.00 0.00 34.50 31.14 1h38 s PRO 734 CO 0.18 0.63 -0.08 0.54 0.04 0.00 0.00 177.00 178.31 1h38 s VAL 735 N -1.16 0.60 -0.20 -0.36 0.11 -0.41 -4.98 120.40 114.01 1h38 s VAL 735 Ca 0.29 -0.38 0.01 0.00 -2.93 0.00 0.00 61.98 58.97 1h38 s VAL 735 Cb -0.18 -0.52 0.04 0.00 -1.53 0.00 0.00 36.38 34.20 1h38 s VAL 735 CO 0.17 0.14 -0.09 0.26 -3.33 0.00 0.00 175.10 172.25 1h38 s TRP 736 N -0.25 2.31 -0.36 1.54 0.51 -1.26 -2.01 118.94 119.42 1h38 s TRP 736 Ca 0.02 -1.53 -0.20 0.00 -2.12 0.00 0.00 56.10 52.27 1h38 s TRP 736 Cb -0.03 -1.59 0.00 0.00 -0.81 0.00 0.00 33.47 31.04 1h38 s TRP 736 CO -0.00 -0.73 0.64 -1.14 -0.51 0.00 0.00 176.95 175.21 1h38 s GLN 737 N 1.43 3.66 -0.39 4.98 0.74 0.73 -4.96 119.66 125.86 1h38 s GLN 737 Ca -0.01 0.04 0.08 0.00 0.05 0.00 0.00 55.36 55.52 1h38 s GLN 737 Cb -0.16 -3.82 0.26 0.00 1.10 0.00 0.00 33.01 30.39 1h38 s GLN 737 CO -0.08 -0.75 0.56 -1.91 -0.55 0.00 0.00 175.29 172.56 1h38 n GLU 738 N 6.06 0.75 -1.99 1.67 2.13 -1.26 -1.84 120.64 126.16 1h38 n GLU 738 Ca -0.01 -3.20 -0.43 0.00 0.66 0.00 0.00 57.16 54.18 1h38 n GLU 738 Cb 0.49 -1.28 -0.03 0.00 0.27 0.00 0.00 31.44 30.89 1h38 n GLU 738 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1h38 s TYR 739 N -1.29 1.90 -0.00 4.31 2.02 -1.26 -4.93 117.35 118.10 1h38 s TYR 739 Ca 0.36 0.31 0.00 0.00 -0.37 0.00 0.00 57.07 57.37 1h38 s TYR 739 Cb 0.19 -3.97 -0.04 0.00 -0.40 0.00 0.00 41.96 37.74 1h38 s TYR 739 CO -0.11 -3.65 0.05 0.15 -1.57 0.00 0.00 175.55 170.43 1h38 s LYS 740 N 4.53 2.96 -0.12 -0.62 1.02 -1.26 0.22 119.74 126.48 1h38 s LYS 740 Ca 0.76 -0.53 0.01 0.00 0.02 0.00 0.00 55.97 56.22 1h38 s LYS 740 Cb -0.31 -2.79 -0.02 0.00 -0.52 0.00 0.00 37.83 34.20 1h38 s LYS 740 CO 0.31 0.64 -0.14 0.21 -0.92 0.00 0.00 175.35 175.45 1h38 s LYS 741 N -1.68 3.24 0.53 1.68 2.20 0.27 -4.67 119.74 121.30 1h38 s LYS 741 Ca 0.22 -0.70 -0.19 0.00 -0.36 0.00 0.00 55.97 54.94 1h38 s LYS 741 Cb -0.12 -2.58 -0.06 0.00 -1.51 0.00 0.00 37.83 33.56 1h38 s LYS 741 CO 0.13 0.27 1.07 -2.14 -0.36 0.00 0.00 175.35 174.32 1h38 s PRO 742 N 0.19 3.52 0.00 4.03 0.02 -1.26 -1.42 135.00 140.08 1h38 s PRO 742 Ca -0.08 1.39 0.21 0.00 0.02 0.00 0.00 61.00 62.54 1h38 s PRO 742 Cb -0.15 -2.05 0.53 0.00 0.02 0.00 0.00 34.50 32.85 1h38 s PRO 742 CO 0.05 -0.67 1.44 -0.89 -0.33 0.00 0.00 177.00 176.61 1h38 n ILE 743 N -1.37 0.50 -1.73 2.83 5.41 -1.20 -4.91 119.36 118.90 1h38 n ILE 743 Ca 0.10 -0.65 -0.24 0.00 1.00 0.00 0.00 62.75 62.97 1h38 n ILE 743 Cb 0.52 0.64 0.17 0.00 -0.71 0.00 0.00 39.64 40.26 1h38 n ILE 743 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1h38 n GLN 744 N 1.09 -1.08 0.00 0.38 6.02 -1.26 -5.11 117.38 117.41 1h38 n GLN 744 Ca 0.18 -1.66 0.00 0.00 -0.01 0.00 0.00 57.00 55.51 1h38 n GLN 744 Cb 0.50 -1.11 0.00 0.00 1.02 0.00 0.00 30.24 30.64 1h38 n GLN 744 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1h38 n THR 745 N -3.51 0.00 -2.72 5.09 -1.04 -1.26 -5.10 114.28 105.74 1h38 n THR 745 Ca 0.13 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.09 1h38 n THR 745 Cb 0.47 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 69.01 1h38 n THR 745 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1h38 n ARG 746 N 0.00 0.45 -3.01 -2.82 1.74 -1.26 -4.92 116.66 106.83 1h38 n ARG 746 Ca 0.00 -1.48 -0.42 0.00 -0.77 0.00 0.00 57.85 55.18 1h38 n ARG 746 Cb 0.00 -0.93 -0.06 0.00 -1.02 0.00 0.00 32.46 30.45 1h38 n ARG 746 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1h38 s LEU 747 N 0.31 4.19 0.31 0.55 2.96 -1.26 -2.58 118.68 123.16 1h38 s LEU 747 Ca 0.29 0.22 -0.03 0.00 -0.22 0.00 0.00 54.13 54.39 1h38 s LEU 747 Cb 0.12 -2.94 -0.04 0.00 0.50 0.00 0.00 46.19 43.83 1h38 s LEU 747 CO -0.12 -0.72 0.55 0.21 -1.32 0.00 0.00 176.35 174.95 1h38 s ASN 748 N 1.87 6.37 0.00 3.68 2.47 -1.25 -4.96 114.94 123.12 1h38 s ASN 748 Ca 0.29 0.60 0.00 0.00 0.42 0.00 0.00 52.86 54.16 1h38 s ASN 748 Cb -0.13 -2.09 0.00 0.00 -1.45 0.00 0.00 41.25 37.57 1h38 s ASN 748 CO 0.17 -0.24 0.00 0.18 -3.72 0.00 0.00 177.10 173.50 1h38 n LEU 749 N -1.28 1.82 -0.87 3.21 7.99 -1.26 -4.70 117.00 121.91 1h38 n LEU 749 Ca -0.03 0.00 0.09 0.00 -0.01 0.00 0.00 56.01 56.06 1h38 n LEU 749 Cb 0.55 0.00 0.14 0.00 -0.11 0.00 0.00 43.42 44.00 1h38 n LEU 749 CO 0.49 0.00 0.61 1.15 -1.51 0.00 0.00 177.39 178.12 1h38 n MET 750 N -0.56 2.03 0.00 3.23 0.00 -1.26 -4.75 117.12 115.81 1h38 n MET 750 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 57.70 55.79 1h38 n MET 750 Cb 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 33.22 31.83 1h38 n MET 750 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 1h38 n PHE 751 N 1.11 0.00 0.00 3.17 3.01 -1.26 -4.54 117.46 118.95 1h38 n PHE 751 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.60 1h38 n PHE 751 Cb 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 1h38 n PHE 751 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1h38 n LEU 752 N -2.24 0.00 0.00 4.37 4.32 -1.26 -4.98 117.00 117.21 1h38 n LEU 752 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1h38 n LEU 752 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1h38 n LEU 752 CO 0.00 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.78 1h38 n GLY 753 N 0.00 0.88 0.00 -0.72 0.00 -1.26 -3.92 105.19 100.17 1h38 n GLY 753 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1h38 n GLY 753 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1h38 n GLN 754 N 0.03 0.00 -0.28 1.61 1.13 -1.07 -4.61 117.38 114.19 1h38 n GLN 754 Ca 0.00 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.96 1h38 n GLN 754 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.36 1h38 n GLN 754 CO 0.00 0.00 0.00 1.97 -1.44 0.00 0.00 177.06 177.59 1h38 n PHE 755 N 0.00 -1.23 0.00 1.08 -1.74 -1.26 -4.32 117.46 109.99 1h38 n PHE 755 Ca 0.00 0.02 0.00 0.00 -0.56 0.00 0.00 57.45 56.91 1h38 n PHE 755 Cb 0.00 -0.39 0.00 0.00 1.52 0.00 0.00 39.48 40.61 1h38 n PHE 755 CO 0.00 0.00 0.00 -2.13 -0.56 0.00 0.00 176.76 174.07 1h38 n ARG 756 N 0.60 0.00 0.00 3.97 0.63 -1.26 -4.85 116.66 115.75 1h38 n ARG 756 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1h38 n ARG 756 Cb 0.14 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.05 1h38 n ARG 756 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1h38 n ASP 766 N -1.42 0.00 -3.83 6.15 8.00 -1.26 -5.04 116.55 119.15 1h38 n ASP 766 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 1h38 n ASP 766 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 1h38 n ASP 766 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1h38 s SER 767 N 0.00 0.01 0.14 -2.24 1.04 -1.26 -3.23 113.70 108.15 1h38 s SER 767 Ca 0.00 -0.35 0.06 0.00 0.48 0.00 0.00 55.95 56.14 1h38 s SER 767 Cb 0.00 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 66.38 1h38 s SER 767 CO 0.00 -0.58 -0.13 -1.83 0.98 0.00 0.00 173.24 171.68 1h38 s GLU 768 N -2.63 1.07 0.22 4.02 -1.05 -0.51 -4.88 118.70 114.94 1h38 s GLU 768 Ca -0.05 -1.35 -0.31 0.00 -0.15 0.00 0.00 54.97 53.12 1h38 s GLU 768 Cb -0.01 -0.84 -0.15 0.00 -0.44 0.00 0.00 34.13 32.69 1h38 s GLU 768 CO -0.04 0.14 1.13 -0.89 0.95 0.00 0.00 175.26 176.55 1h38 n ILE 769 N 0.19 1.27 -2.91 1.83 -0.00 -1.26 0.93 119.36 119.41 1h38 n ILE 769 Ca -0.13 -0.32 -0.44 0.00 -0.00 0.00 0.00 62.75 61.87 1h38 n ILE 769 Cb 0.59 -0.95 -0.03 0.00 -0.00 0.00 0.00 39.64 39.25 1h38 n ILE 769 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1h38 s ASP 770 N -0.17 6.45 0.27 4.38 -1.08 0.59 -4.58 116.67 122.53 1h38 s ASP 770 Ca 0.68 -1.66 -0.02 0.00 -0.52 0.00 0.00 52.55 51.03 1h38 s ASP 770 Cb -0.78 -2.40 0.57 0.00 -1.46 0.00 0.00 42.92 38.85 1h38 s ASP 770 CO 0.54 -1.19 1.65 0.00 0.52 0.00 0.00 175.17 176.69 1h38 h ALA 771 N 9.11 1.04 0.20 3.66 0.00 -1.84 0.25 119.26 131.67 1h38 h ALA 771 Ca -0.02 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1h38 h ALA 771 Cb 1.04 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1h38 h ALA 771 CO 1.13 -0.43 -0.09 0.45 0.00 0.00 0.00 179.25 180.31 1h38 h HIS 772 N 0.18 -0.25 0.00 0.00 3.86 -1.96 0.08 115.15 117.06 1h38 h HIS 772 Ca 0.48 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.65 1h38 h HIS 772 Cb 0.90 0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.45 1h38 h HIS 772 CO -0.33 0.04 -0.17 0.87 0.86 0.00 0.00 177.93 179.20 1h38 h LYS 773 N -0.53 0.00 -0.69 2.45 1.57 -1.77 0.36 116.57 117.96 1h38 h LYS 773 Ca -0.03 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1h38 h LYS 773 Cb 0.40 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 1h38 h LYS 773 CO 0.04 0.17 0.27 0.37 -0.57 0.00 0.00 179.45 179.74 1h38 h GLN 774 N 0.00 1.02 0.00 3.15 5.75 -0.13 -0.99 115.11 123.91 1h38 h GLN 774 Ca -0.00 -0.17 -0.18 0.00 -0.15 0.00 0.00 58.65 58.15 1h38 h GLN 774 Cb 0.31 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.66 1h38 h GLN 774 CO 0.02 0.83 -0.91 1.49 -2.65 0.00 0.00 178.83 177.62 1h38 h GLU 775 N 1.00 0.00 0.00 1.69 4.81 0.60 -3.18 114.58 119.50 1h38 h GLU 775 Ca 0.23 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.41 1h38 h GLU 775 Cb 0.20 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1h38 h GLU 775 CO -0.02 0.77 -0.86 0.66 -0.73 0.00 0.00 179.01 178.83 1h38 h SER 776 N 0.00 0.00 -0.02 1.04 4.64 -0.07 -3.35 113.55 115.78 1h38 h SER 776 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1h38 h SER 776 Cb 1.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.74 1h38 h SER 776 CO 0.10 0.21 -0.15 0.61 -0.87 0.00 0.00 176.83 176.73 1h38 n GLY 777 N 1.23 0.28 0.24 -0.77 0.00 -0.40 -4.61 105.19 101.16 1h38 n GLY 777 Ca -0.01 -0.53 -0.15 0.00 0.00 0.00 0.00 46.02 45.32 1h38 n GLY 777 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1h38 h ILE 778 N 3.04 0.61 0.90 -0.61 6.09 -1.69 -1.00 117.51 124.85 1h38 h ILE 778 Ca 0.00 -0.11 -0.04 0.00 -1.37 0.00 0.00 64.86 63.33 1h38 h ILE 778 Cb 0.72 0.66 0.01 0.00 0.47 0.00 0.00 36.82 38.68 1h38 h ILE 778 CO 0.00 0.02 -0.43 0.00 -3.07 0.00 0.00 178.15 174.67 1h38 h ALA 779 N -0.03 -1.29 -0.73 0.18 0.00 -1.84 0.26 119.26 115.82 1h38 h ALA 779 Ca -0.06 -0.27 0.10 0.00 0.00 0.00 0.00 54.91 54.69 1h38 h ALA 779 Cb 0.45 0.47 -0.07 0.00 0.00 0.00 0.00 17.79 18.64 1h38 h ALA 779 CO 0.09 -1.20 0.37 -1.00 0.00 0.00 0.00 179.25 177.51 1h38 h PRO 780 N -1.24 0.60 -0.73 0.00 0.13 -1.72 -1.09 132.00 127.95 1h38 h PRO 780 Ca -0.12 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.95 1h38 h PRO 780 Cb 0.93 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 31.89 1h38 h PRO 780 CO 0.20 0.40 0.39 -0.91 -0.23 0.00 0.00 178.00 177.85 1h38 h ASN 781 N 0.62 0.90 0.66 1.44 -0.26 -0.97 -1.35 115.58 116.62 1h38 h ASN 781 Ca 0.36 -0.08 -0.03 0.00 -0.56 0.00 0.00 56.30 55.99 1h38 h ASN 781 Cb 0.39 -0.23 0.01 0.00 -1.06 0.00 0.00 38.32 37.42 1h38 h ASN 781 CO -0.27 0.73 -0.32 0.15 -1.06 0.00 0.00 177.43 176.66 1h38 h PHE 782 N 1.02 -0.82 -0.67 1.19 3.57 0.78 -0.60 116.94 121.40 1h38 h PHE 782 Ca 0.26 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.77 1h38 h PHE 782 Cb 0.04 0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 1h38 h PHE 782 CO 0.01 -0.49 0.41 -0.39 -2.23 0.00 0.00 178.31 175.62 1h38 h VAL 783 N -0.97 1.06 -0.70 1.41 -1.51 -1.25 0.11 116.25 114.40 1h38 h VAL 783 Ca -0.09 -0.27 0.05 0.00 -1.23 0.00 0.00 66.70 65.16 1h38 h VAL 783 Cb 0.70 0.20 -0.05 0.00 -2.13 0.00 0.00 31.29 30.01 1h38 h VAL 783 CO 0.15 0.14 0.41 0.45 -1.23 0.00 0.00 177.57 177.49 1h38 h HIS 784 N 0.79 0.76 -0.65 5.19 3.86 -1.17 0.57 115.15 124.50 1h38 h HIS 784 Ca 0.28 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.49 1h38 h HIS 784 Cb 0.05 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.25 1h38 h HIS 784 CO -0.05 0.38 0.34 0.66 0.86 0.00 0.00 177.93 180.12 1h38 h SER 785 N 0.76 0.80 0.00 2.45 4.64 0.18 0.15 113.55 122.55 1h38 h SER 785 Ca 0.31 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1h38 h SER 785 Cb 0.15 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1h38 h SER 785 CO -0.16 0.66 -0.00 -0.61 -0.87 0.00 0.00 176.83 175.84 1h38 h GLN 786 N 0.91 -0.00 0.00 4.77 5.75 0.17 -1.49 115.11 125.21 1h38 h GLN 786 Ca 0.23 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.72 1h38 h GLN 786 Cb 0.04 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.59 1h38 h GLN 786 CO -0.04 0.29 -0.04 0.38 -2.65 0.00 0.00 178.83 176.77 1h38 h ASP 787 N -0.30 0.00 -0.51 -0.69 3.04 0.27 -1.94 116.42 116.29 1h38 h ASP 787 Ca -0.00 0.00 -0.12 0.00 -3.24 0.00 0.00 57.03 53.66 1h38 h ASP 787 Cb 0.29 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.57 1h38 h ASP 787 CO 0.00 0.04 -0.17 1.23 -2.04 0.00 0.00 179.24 178.30 1h38 h GLY 788 N 1.91 1.10 0.94 7.15 0.00 -0.30 -1.94 103.07 111.93 1h38 h GLY 788 Ca -0.00 -0.94 -0.02 0.00 0.00 0.00 0.00 47.33 46.37 1h38 h GLY 788 CO 0.01 0.86 0.15 0.23 0.00 0.00 0.00 176.54 177.78 1h38 h SER 789 N 0.88 0.53 -0.65 0.19 0.87 -0.56 -2.22 113.55 112.60 1h38 h SER 789 Ca 0.12 -0.17 0.06 0.00 -1.23 0.00 0.00 61.79 60.56 1h38 h SER 789 Cb 0.75 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.52 1h38 h SER 789 CO 0.06 0.56 0.36 -0.74 -0.53 0.00 0.00 176.83 176.54 1h38 h HIS 790 N 0.47 0.66 -0.04 2.24 6.17 -1.19 -0.22 115.15 123.23 1h38 h HIS 790 Ca 0.13 0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.23 1h38 h HIS 790 Cb 0.20 -0.20 -0.00 0.00 2.52 0.00 0.00 27.41 29.93 1h38 h HIS 790 CO 0.00 0.32 0.02 1.25 0.71 0.00 0.00 177.93 180.23 1h38 h LEU 791 N 0.67 0.05 -0.11 0.26 6.46 -1.18 -0.32 115.31 121.15 1h38 h LEU 791 Ca 0.29 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.98 1h38 h LEU 791 Cb 0.17 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 1h38 h LEU 791 CO -0.17 0.11 0.07 0.03 -0.62 0.00 0.00 178.44 177.85 1h38 h ARG 792 N -0.00 0.15 -0.70 1.25 3.08 -0.93 0.48 114.38 117.70 1h38 h ARG 792 Ca 0.02 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.17 1h38 h ARG 792 Cb 0.06 -0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.00 1h38 h ARG 792 CO -0.00 0.12 0.28 0.87 -1.07 0.00 0.00 179.97 180.17 1h38 h LYS 793 N 0.13 0.44 -0.39 0.04 1.57 -0.90 -0.11 116.57 117.36 1h38 h LYS 793 Ca 0.04 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1h38 h LYS 793 Cb 0.00 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1h38 h LYS 793 CO -0.01 0.29 0.07 1.15 -0.57 0.00 0.00 179.45 180.39 1h38 h THR 794 N 0.46 1.24 -0.46 -0.16 2.02 -0.55 0.16 112.91 115.61 1h38 h THR 794 Ca 0.37 -0.83 0.07 0.00 0.77 0.00 0.00 66.41 66.79 1h38 h THR 794 Cb 0.50 1.04 -0.06 0.00 -1.74 0.00 0.00 68.15 67.89 1h38 h THR 794 CO -0.35 0.28 0.13 0.58 0.37 0.00 0.00 175.52 176.53 1h38 h VAL 795 N 0.48 0.80 0.23 3.16 2.07 0.30 0.13 116.25 123.42 1h38 h VAL 795 Ca 0.12 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1h38 h VAL 795 Cb 0.35 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1h38 h VAL 795 CO 0.01 0.05 -0.11 0.58 0.02 0.00 0.00 177.57 178.12 1h38 h VAL 796 N 0.28 0.82 -0.52 2.57 2.07 -0.73 -2.11 116.25 118.64 1h38 h VAL 796 Ca 0.22 -0.35 0.06 0.00 0.82 0.00 0.00 66.70 67.46 1h38 h VAL 796 Cb 0.26 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 1h38 h VAL 796 CO -0.26 0.08 0.22 -0.25 0.02 0.00 0.00 177.57 177.38 1h38 h TRP 797 N -0.49 0.39 0.00 1.57 2.91 -0.45 -0.21 115.95 119.66 1h38 h TRP 797 Ca -0.03 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.00 1h38 h TRP 797 Cb 0.37 -0.10 -0.00 0.00 -0.51 0.00 0.00 29.16 28.92 1h38 h TRP 797 CO -0.01 0.15 -0.08 0.00 -1.03 0.00 0.00 178.44 177.47 1h38 h ALA 798 N 1.33 1.00 0.05 2.65 0.00 -0.73 0.58 119.26 124.14 1h38 h ALA 798 Ca 0.25 -0.07 -0.28 0.00 0.00 0.00 0.00 54.91 54.80 1h38 h ALA 798 Cb 0.23 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1h38 h ALA 798 CO -0.22 0.10 -1.51 1.25 0.00 0.00 0.00 179.25 178.87 1h38 h HIS 799 N 0.00 0.20 0.01 0.00 -0.00 -0.52 -3.09 115.15 111.74 1h38 h HIS 799 Ca -0.00 -0.15 -0.31 0.00 -0.00 0.00 0.00 60.37 59.91 1h38 h HIS 799 Cb 0.67 -0.01 -0.04 0.00 -0.00 0.00 0.00 27.41 28.03 1h38 h HIS 799 CO 0.00 1.20 -1.71 0.39 -0.00 0.00 0.00 177.93 177.81 1h38 n GLU 800 N -3.29 0.58 0.19 5.26 1.02 -0.21 -4.51 120.64 119.68 1h38 n GLU 800 Ca -0.14 0.46 -0.14 0.00 -0.02 0.00 0.00 57.16 57.32 1h38 n GLU 800 Cb 1.02 -1.66 -0.08 0.00 -0.02 0.00 0.00 31.44 30.70 1h38 n GLU 800 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1h38 h LYS 801 N -0.93 -0.48 -6.39 3.49 3.11 -1.09 -3.44 116.57 110.84 1h38 h LYS 801 Ca -0.47 0.03 -0.46 0.00 -2.81 0.00 0.00 60.65 56.95 1h38 h LYS 801 Cb 1.45 0.11 0.00 0.00 -1.00 0.00 0.00 32.23 32.79 1h38 h LYS 801 CO -0.26 -0.18 -0.29 0.71 -2.81 0.00 0.00 179.45 176.62 1h38 s TYR 802 N -4.73 3.39 -2.00 1.91 2.02 -1.19 -4.99 117.35 111.75 1h38 s TYR 802 Ca -0.14 0.11 0.21 0.00 -0.37 0.00 0.00 57.07 56.88 1h38 s TYR 802 Cb 0.02 -1.84 1.27 0.00 -0.40 0.00 0.00 41.96 41.01 1h38 s TYR 802 CO 0.53 0.16 1.77 0.41 -1.57 0.00 0.00 175.55 176.85 1h38 n GLY 803 N -1.66 -0.93 3.54 0.71 0.00 -1.26 -4.06 105.19 101.53 1h38 n GLY 803 Ca -0.05 -0.13 -0.52 0.00 0.00 0.00 0.00 46.02 45.32 1h38 n GLY 803 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1h38 n ILE 804 N -0.86 0.62 -1.20 -0.61 5.41 -1.17 -4.89 119.36 116.65 1h38 n ILE 804 Ca 0.16 -0.15 0.00 0.00 1.00 0.00 0.00 62.75 63.76 1h38 n ILE 804 Cb 0.07 -0.49 0.00 0.00 -0.71 0.00 0.00 39.64 38.51 1h38 n ILE 804 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1h38 n GLU 805 N 1.73 0.00 -4.02 0.38 0.28 -1.26 -4.08 120.64 113.67 1h38 n GLU 805 Ca 0.17 -0.31 -0.30 0.00 -0.16 0.00 0.00 57.16 56.56 1h38 n GLU 805 Cb 0.19 -0.40 -0.16 0.00 1.43 0.00 0.00 31.44 32.49 1h38 n GLU 805 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1h38 s SER 806 N 0.00 2.87 0.02 -1.84 0.01 -1.26 -4.50 113.70 109.00 1h38 s SER 806 Ca 0.00 -0.59 0.06 0.00 1.31 0.00 0.00 55.95 56.73 1h38 s SER 806 Cb 0.00 -1.21 -0.02 0.00 0.21 0.00 0.00 66.02 65.01 1h38 s SER 806 CO 0.00 -0.07 -0.18 -0.36 0.41 0.00 0.00 173.24 173.04 1h38 s PHE 807 N 1.46 1.57 -0.34 2.43 0.40 -1.26 -4.39 117.98 117.83 1h38 s PHE 807 Ca 0.03 -0.33 -0.04 0.00 -0.60 0.00 0.00 56.93 56.00 1h38 s PHE 807 Cb -0.14 -0.97 0.06 0.00 0.51 0.00 0.00 43.02 42.49 1h38 s PHE 807 CO -0.10 0.03 0.09 0.00 0.70 0.00 0.00 175.22 175.94 1h38 s ALA 808 N -0.62 2.99 -0.08 5.36 0.00 0.57 -4.91 121.76 125.07 1h38 s ALA 808 Ca 0.06 -1.98 0.05 0.00 0.00 0.00 0.00 51.96 50.09 1h38 s ALA 808 Cb -0.08 -2.19 -0.01 0.00 0.00 0.00 0.00 23.12 20.85 1h38 s ALA 808 CO 0.01 -1.44 -0.24 -0.51 0.00 0.00 0.00 175.76 173.57 1h38 s LEU 809 N 1.27 2.09 -0.38 0.00 1.43 -1.26 -0.63 118.68 121.21 1h38 s LEU 809 Ca -0.00 -0.53 0.11 0.00 -1.03 0.00 0.00 54.13 52.68 1h38 s LEU 809 Cb -0.21 -1.40 0.33 0.00 0.03 0.00 0.00 46.19 44.95 1h38 s LEU 809 CO -0.01 0.20 0.69 -0.38 0.23 0.00 0.00 176.35 177.09 1h38 n ILE 810 N 3.23 -0.23 0.00 -0.59 5.41 -0.24 -4.74 119.36 122.20 1h38 n ILE 810 Ca -0.18 -4.49 0.00 0.00 1.00 0.00 0.00 62.75 59.07 1h38 n ILE 810 Cb 0.52 -0.59 0.00 0.00 -0.71 0.00 0.00 39.64 38.87 1h38 n ILE 810 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1h38 n HIS 811 N 0.48 0.00 -1.97 1.39 8.25 -1.26 -2.28 115.22 119.83 1h38 n HIS 811 Ca 0.24 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.75 1h38 n HIS 811 Cb 0.63 0.00 0.13 0.00 1.12 0.00 0.00 29.99 31.87 1h38 n HIS 811 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1h38 n ASP 812 N 0.68 1.45 -3.91 0.41 5.68 -1.26 -4.77 116.55 114.83 1h38 n ASP 812 Ca 0.00 -3.14 -0.24 0.00 -0.50 0.00 0.00 54.79 50.91 1h38 n ASP 812 Cb 0.00 -0.44 -0.17 0.00 -1.14 0.00 0.00 41.12 39.38 1h38 n ASP 812 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1h38 s SER 813 N -2.75 1.76 -0.08 -1.12 0.15 -0.97 -1.39 113.70 109.30 1h38 s SER 813 Ca 0.36 -0.23 0.04 0.00 0.70 0.00 0.00 55.95 56.83 1h38 s SER 813 Cb 0.38 -0.70 -0.00 0.00 -1.71 0.00 0.00 66.02 63.99 1h38 s SER 813 CO -0.11 -0.09 -0.23 -0.36 1.20 0.00 0.00 173.24 173.65 1h38 s PHE 814 N 1.38 2.42 0.05 3.44 0.40 -0.80 -1.08 117.98 123.79 1h38 s PHE 814 Ca -0.02 -0.90 -0.07 0.00 -0.60 0.00 0.00 56.93 55.34 1h38 s PHE 814 Cb -0.14 -1.62 -0.01 0.00 0.51 0.00 0.00 43.02 41.77 1h38 s PHE 814 CO -0.04 -0.34 0.12 0.20 0.70 0.00 0.00 175.22 175.86 1h38 s GLY 815 N 0.21 0.15 0.38 4.36 0.00 0.20 -0.10 107.32 112.52 1h38 s GLY 815 Ca -0.14 -0.54 -0.09 0.00 0.00 0.00 0.00 44.72 43.95 1h38 s GLY 815 CO 0.07 -0.69 0.67 -1.59 0.00 0.00 0.00 173.10 171.56 1h38 s THR 816 N -2.86 0.00 0.62 0.90 2.01 -1.12 -0.32 115.64 114.87 1h38 s THR 816 Ca -0.03 -1.25 -0.17 0.00 0.31 0.00 0.00 61.69 60.55 1h38 s THR 816 Cb 0.00 -2.85 -0.02 0.00 0.01 0.00 0.00 72.50 69.64 1h38 s THR 816 CO -0.06 0.00 1.17 0.27 -0.69 0.00 0.00 174.62 175.32 1h38 s ILE 817 N -2.46 2.79 0.23 1.82 -4.36 -1.26 -0.87 121.20 117.08 1h38 s ILE 817 Ca 0.22 0.45 -0.11 0.00 -0.26 0.00 0.00 60.65 60.95 1h38 s ILE 817 Cb -0.03 -3.09 0.26 0.00 1.25 0.00 0.00 42.46 40.84 1h38 s ILE 817 CO 0.16 -0.15 1.63 -0.65 0.24 0.00 0.00 174.94 176.17 1h38 h PRO 818 N 0.57 0.04 -0.11 0.37 0.11 -1.81 0.81 132.00 131.98 1h38 h PRO 818 Ca -0.49 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.65 1h38 h PRO 818 Cb 1.28 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1h38 h PRO 818 CO 0.54 0.03 0.23 0.00 -0.21 0.00 0.00 178.00 178.59 1h38 h ALA 819 N 1.67 1.52 -0.00 -0.75 0.00 -1.84 -1.14 119.26 118.72 1h38 h ALA 819 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1h38 h ALA 819 Cb 0.57 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1h38 h ALA 819 CO -0.66 -0.29 -0.70 -0.25 0.00 0.00 0.00 179.25 177.35 1h38 n ASP 820 N -3.34 1.05 -0.03 0.00 8.00 0.20 -4.66 116.55 117.77 1h38 n ASP 820 Ca 0.00 -1.02 -0.08 0.00 0.71 0.00 0.00 54.79 54.39 1h38 n ASP 820 Cb 0.32 0.87 -0.02 0.00 -0.02 0.00 0.00 41.12 42.27 1h38 n ASP 820 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h38 h ALA 821 N 2.61 -0.04 -1.00 2.24 0.00 -0.38 -1.96 119.26 120.73 1h38 h ALA 821 Ca 0.00 0.07 0.17 0.00 0.00 0.00 0.00 54.91 55.16 1h38 h ALA 821 Cb 0.46 0.37 -0.10 0.00 0.00 0.00 0.00 17.79 18.52 1h38 h ALA 821 CO 0.00 -0.60 0.62 0.00 0.00 0.00 0.00 179.25 179.27 1h38 h ALA 822 N 0.93 1.66 -0.25 0.00 0.00 -1.83 -0.49 119.26 119.28 1h38 h ALA 822 Ca 0.12 0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.91 1h38 h ALA 822 Cb 0.36 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1h38 h ALA 822 CO -0.31 0.00 -0.57 -0.91 0.00 0.00 0.00 179.25 177.46 1h38 h ASN 823 N 0.81 0.93 0.30 0.00 -0.26 -1.70 -3.01 115.58 112.66 1h38 h ASN 823 Ca 0.55 -0.55 -0.11 0.00 -0.56 0.00 0.00 56.30 55.62 1h38 h ASN 823 Cb 0.80 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.78 1h38 h ASN 823 CO -0.34 1.32 -0.47 0.25 -1.06 0.00 0.00 177.43 177.13 1h38 h LEU 824 N 0.59 0.21 -1.34 1.61 5.85 -0.66 0.31 115.31 121.89 1h38 h LEU 824 Ca 0.00 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.65 1h38 h LEU 824 Cb 1.18 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 1h38 h LEU 824 CO 0.12 0.65 0.46 0.15 -0.34 0.00 0.00 178.44 179.49 1h38 h PHE 825 N 0.16 0.83 0.02 1.25 3.04 -1.05 -1.20 116.94 119.99 1h38 h PHE 825 Ca 0.01 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.94 1h38 h PHE 825 Cb 0.89 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 39.13 1h38 h PHE 825 CO 0.01 0.49 -0.15 -0.22 -2.02 0.00 0.00 178.31 176.43 1h38 h LYS 826 N 0.87 0.07 -0.44 1.11 3.64 -1.32 -3.33 116.57 117.17 1h38 h LYS 826 Ca 0.27 -0.10 0.09 0.00 -1.27 0.00 0.00 60.65 59.65 1h38 h LYS 826 Cb 0.02 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 31.79 1h38 h LYS 826 CO -0.07 0.99 -0.12 0.00 -2.27 0.00 0.00 179.45 177.98 1h38 h ALA 827 N 0.08 0.28 -0.80 5.00 0.00 0.02 -1.08 119.26 122.76 1h38 h ALA 827 Ca -0.02 0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1h38 h ALA 827 Cb 1.06 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 1h38 h ALA 827 CO 0.03 -0.46 0.52 -0.39 0.00 0.00 0.00 179.25 178.95 1h38 h VAL 828 N -0.01 1.07 -0.12 0.00 -1.51 -1.38 0.53 116.25 114.83 1h38 h VAL 828 Ca 0.21 -0.31 -0.14 0.00 -1.23 0.00 0.00 66.70 65.23 1h38 h VAL 828 Cb 0.34 0.08 0.01 0.00 -2.13 0.00 0.00 31.29 29.59 1h38 h VAL 828 CO -0.46 0.17 -0.49 0.03 -1.23 0.00 0.00 177.57 175.58 1h38 h ARG 829 N 0.91 0.54 -0.19 5.19 3.08 -1.44 -2.31 114.38 120.17 1h38 h ARG 829 Ca 0.33 -0.42 0.01 0.00 0.07 0.00 0.00 59.98 59.96 1h38 h ARG 829 Cb 0.16 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1h38 h ARG 829 CO -0.11 1.05 0.11 0.93 -1.07 0.00 0.00 179.97 180.88 1h38 h GLU 830 N 0.16 0.22 -0.37 0.04 5.08 -0.82 0.99 114.58 119.89 1h38 h GLU 830 Ca -0.03 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1h38 h GLU 830 Cb 1.13 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 1h38 h GLU 830 CO 0.10 0.15 0.24 0.00 -1.00 0.00 0.00 179.01 178.50 1h38 h THR 831 N 0.23 1.10 0.02 1.13 1.03 -0.93 0.68 112.91 116.16 1h38 h THR 831 Ca 0.07 -0.19 -0.13 0.00 -0.01 0.00 0.00 66.41 66.16 1h38 h THR 831 Cb -0.01 0.56 0.01 0.00 -1.07 0.00 0.00 68.15 67.64 1h38 h THR 831 CO -0.03 0.10 -0.50 -0.03 -0.01 0.00 0.00 175.52 175.04 1h38 h MET 832 N 0.50 0.30 -0.33 0.00 1.85 -0.81 -2.99 114.93 113.46 1h38 h MET 832 Ca 0.13 -0.36 -0.04 0.00 -0.61 0.00 0.00 59.70 58.83 1h38 h MET 832 Cb -0.05 0.11 -0.01 0.00 0.43 0.00 0.00 31.60 32.08 1h38 h MET 832 CO -0.03 1.07 0.05 0.28 -0.40 0.00 0.00 176.91 177.87 1h38 h VAL 833 N -0.30 1.24 0.34 -5.77 2.07 -0.50 -3.07 116.25 110.26 1h38 h VAL 833 Ca -0.07 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1h38 h VAL 833 Cb 1.26 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 1h38 h VAL 833 CO 0.10 0.28 -0.44 -0.78 0.02 0.00 0.00 177.57 176.75 1h38 h ASP 834 N 0.38 -1.25 -0.88 0.57 3.58 -0.98 -1.88 116.42 115.95 1h38 h ASP 834 Ca 0.10 0.11 0.20 0.00 0.42 0.00 0.00 57.03 57.86 1h38 h ASP 834 Cb 0.36 0.43 -0.12 0.00 1.72 0.00 0.00 39.33 41.73 1h38 h ASP 834 CO 0.01 -0.55 0.41 0.74 -2.88 0.00 0.00 179.24 176.97 1h38 h THR 835 N -0.81 0.55 -0.00 2.25 2.02 -1.55 -0.23 112.91 115.15 1h38 h THR 835 Ca -0.04 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1h38 h THR 835 Cb 0.72 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1h38 h THR 835 CO -0.11 0.09 -0.33 -1.22 0.37 0.00 0.00 175.52 174.32 1h38 n TYR 836 N -4.99 0.00 0.05 3.16 4.01 -1.15 -1.41 117.16 116.83 1h38 n TYR 836 Ca 0.21 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.92 1h38 n TYR 836 Cb 0.59 -0.28 -0.08 0.00 -0.31 0.00 0.00 39.34 39.26 1h38 n TYR 836 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1h38 h GLU 837 N 0.19 0.00 0.00 -0.72 5.08 -0.23 -3.36 114.58 115.53 1h38 h GLU 837 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1h38 h GLU 837 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1h38 h GLU 837 CO 0.00 0.55 -1.55 0.43 -1.00 0.00 0.00 179.01 177.44 1h38 n SER 838 N -3.11 0.45 -3.96 1.42 7.64 -0.57 -4.98 113.62 110.52 1h38 n SER 838 Ca -0.06 0.18 -0.13 0.00 1.01 0.00 0.00 58.87 59.86 1h38 n SER 838 Cb 0.89 1.08 -0.13 0.00 -1.01 0.00 0.00 64.21 65.03 1h38 n SER 838 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h38 n ASP 840 N 2.52 6.00 -0.32 0.00 -0.08 -1.26 -4.60 116.55 118.81 1h38 n ASP 840 Ca -0.16 -3.61 0.27 0.00 -1.51 0.00 0.00 54.79 49.78 1h38 n ASP 840 Cb 0.58 -0.97 0.44 0.00 2.34 0.00 0.00 41.12 43.51 1h38 n ASP 840 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1h38 n VAL 841 N 0.27 -0.14 -0.03 5.18 0.24 -1.26 0.11 118.33 122.71 1h38 n VAL 841 Ca 0.37 1.12 -0.13 0.00 -2.04 0.00 0.00 64.34 63.65 1h38 n VAL 841 Cb 0.33 -1.84 -0.09 0.00 -1.47 0.00 0.00 33.84 30.77 1h38 n VAL 841 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1h38 h LEU 842 N 0.00 0.12 -0.10 1.34 4.07 -1.91 -1.47 115.31 117.36 1h38 h LEU 842 Ca 0.57 -0.51 -0.01 0.00 0.08 0.00 0.00 57.88 58.01 1h38 h LEU 842 Cb 1.89 -0.03 -0.00 0.00 1.08 0.00 0.00 40.66 43.59 1h38 h LEU 842 CO -0.26 0.61 0.04 0.00 -1.08 0.00 0.00 178.44 177.75 1h38 h ALA 843 N 0.51 0.13 -0.89 1.53 0.00 0.42 -1.34 119.26 119.62 1h38 h ALA 843 Ca 0.01 -0.10 0.20 0.00 0.00 0.00 0.00 54.91 55.01 1h38 h ALA 843 Cb 0.58 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 1h38 h ALA 843 CO 0.01 -0.27 0.59 -0.44 0.00 0.00 0.00 179.25 179.14 1h38 h ASP 844 N -0.01 0.43 -0.41 0.00 3.32 -1.29 0.60 116.42 119.06 1h38 h ASP 844 Ca 0.03 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.03 1h38 h ASP 844 Cb 0.19 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1h38 h ASP 844 CO -0.00 0.18 -0.10 0.15 -1.72 0.00 0.00 179.24 177.74 1h38 h PHE 845 N 0.43 0.95 -0.16 4.55 3.57 -0.55 -2.82 116.94 122.92 1h38 h PHE 845 Ca 0.46 -0.18 -0.00 0.00 3.53 0.00 0.00 57.97 61.78 1h38 h PHE 845 Cb 1.11 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 1h38 h PHE 845 CO -0.00 0.92 0.08 -0.92 -2.23 0.00 0.00 178.31 176.15 1h38 h TYR 846 N 0.78 0.22 -0.78 0.41 5.03 0.13 -2.39 116.97 120.36 1h38 h TYR 846 Ca 0.13 -0.01 0.11 0.00 2.58 0.00 0.00 58.73 61.54 1h38 h TYR 846 Cb 0.61 -0.07 -0.08 0.00 1.55 0.00 0.00 36.73 38.74 1h38 h TYR 846 CO 0.03 0.24 0.40 -0.44 -1.32 0.00 0.00 178.16 177.08 1h38 h ASP 847 N 0.14 0.53 -0.44 -2.11 3.32 -1.16 0.48 116.42 117.19 1h38 h ASP 847 Ca 0.05 0.07 0.07 0.00 0.02 0.00 0.00 57.03 57.25 1h38 h ASP 847 Cb 0.10 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.56 1h38 h ASP 847 CO -0.01 0.28 0.07 1.56 -1.72 0.00 0.00 179.24 179.42 1h38 h GLN 848 N 0.65 0.19 0.00 3.56 1.08 -1.18 -3.21 115.11 116.20 1h38 h GLN 848 Ca 0.40 -0.01 -0.14 0.00 -1.45 0.00 0.00 58.65 57.44 1h38 h GLN 848 Cb 0.45 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.81 1h38 h GLN 848 CO -0.29 0.13 -2.01 1.97 -0.95 0.00 0.00 178.83 177.67 1h38 n PHE 849 N -5.12 0.17 -0.15 2.96 -1.74 -0.85 -4.63 117.46 108.09 1h38 n PHE 849 Ca 0.04 0.05 -0.04 0.00 -0.56 0.00 0.00 57.45 56.94 1h38 n PHE 849 Cb 0.21 -0.76 -0.04 0.00 1.52 0.00 0.00 39.48 40.42 1h38 n PHE 849 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1h38 n ALA 850 N -2.43 -0.23 -0.18 1.98 0.00 0.16 0.32 120.51 120.12 1h38 n ALA 850 Ca -0.14 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1h38 n ALA 850 Cb 0.80 0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.34 1h38 n ALA 850 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1h38 n ASP 851 N -3.87 3.35 0.00 0.00 5.75 -1.26 -1.92 116.55 118.60 1h38 n ASP 851 Ca 0.01 -1.85 0.00 0.00 -0.01 0.00 0.00 54.79 52.93 1h38 n ASP 851 Cb 0.10 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 39.49 1h38 n ASP 851 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 1h38 n GLN 852 N 1.51 0.00 -2.84 0.11 7.27 0.15 -5.03 117.38 118.55 1h38 n GLN 852 Ca 0.00 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.64 1h38 n GLN 852 Cb 0.34 -0.39 -0.04 0.00 2.41 0.00 0.00 30.24 32.55 1h38 n GLN 852 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1h38 s LEU 853 N 0.00 4.03 0.74 1.69 1.43 -0.81 -4.96 118.68 120.81 1h38 s LEU 853 Ca 0.00 0.21 -0.16 0.00 -1.03 0.00 0.00 54.13 53.14 1h38 s LEU 853 Cb 0.00 -3.18 -0.08 0.00 0.03 0.00 0.00 46.19 42.97 1h38 s LEU 853 CO 0.00 -0.98 0.13 1.57 0.23 0.00 0.00 176.35 177.30 1h38 n HIS 854 N 7.00 -2.13 -0.33 0.29 -0.00 -1.26 -4.78 115.22 114.01 1h38 n HIS 854 Ca 0.06 0.29 0.13 0.00 -0.00 0.00 0.00 57.72 58.20 1h38 n HIS 854 Cb 0.48 -1.77 0.27 0.00 -0.00 0.00 0.00 29.99 28.98 1h38 n HIS 854 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 1h38 h GLU 855 N -0.50 0.03 0.00 1.57 4.81 -1.98 -1.74 114.58 116.77 1h38 h GLU 855 Ca -0.44 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1h38 h GLU 855 Cb 1.36 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.73 1h38 h GLU 855 CO 0.38 0.02 0.00 -1.13 -0.73 0.00 0.00 179.01 177.55 1h38 n SER 856 N -5.46 0.67 -1.37 1.04 3.41 -1.26 -3.54 113.62 107.11 1h38 n SER 856 Ca 0.22 0.57 -0.05 0.00 -0.26 0.00 0.00 58.87 59.35 1h38 n SER 856 Cb 0.72 -0.75 0.22 0.00 -0.26 0.00 0.00 64.21 64.14 1h38 n SER 856 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h38 n GLN 857 N -2.14 2.40 0.00 4.33 10.64 -0.65 -4.55 117.38 127.41 1h38 n GLN 857 Ca 0.05 -3.07 0.00 0.00 -1.83 0.00 0.00 57.00 52.16 1h38 n GLN 857 Cb 0.40 -1.93 0.00 0.00 -0.86 0.00 0.00 30.24 27.85 1h38 n GLN 857 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1h38 n LEU 858 N -0.86 0.48 0.00 2.61 4.77 -1.23 -3.68 117.00 119.08 1h38 n LEU 858 Ca 0.36 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1h38 n LEU 858 Cb 1.15 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 42.00 1h38 n LEU 858 CO 0.28 0.12 -0.17 -0.90 -1.33 0.00 0.00 177.39 175.38 1h38 n ASP 859 N -0.23 1.74 0.00 -1.43 3.85 -1.26 -4.69 116.55 114.54 1h38 n ASP 859 Ca 0.00 0.00 0.05 0.00 -0.71 0.00 0.00 54.79 54.13 1h38 n ASP 859 Cb 0.12 0.23 0.31 0.00 -1.35 0.00 0.00 41.12 40.43 1h38 n ASP 859 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.20 177.36 1h38 n LYS 860 N -0.87 0.74 -2.98 0.11 0.00 -1.24 -4.51 118.16 109.41 1h38 n LYS 860 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 58.31 57.87 1h38 n LYS 860 Cb 0.12 -1.22 -0.04 0.00 0.00 0.00 0.00 35.03 33.89 1h38 n LYS 860 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 1h38 s MET 861 N -2.00 3.15 0.60 1.64 1.75 -1.26 -5.02 119.30 118.16 1h38 s MET 861 Ca 0.16 -1.18 -0.18 0.00 -1.25 0.00 0.00 55.69 53.25 1h38 s MET 861 Cb 0.07 -4.33 -0.07 0.00 2.84 0.00 0.00 34.83 33.34 1h38 s MET 861 CO 0.12 -1.69 0.62 -0.35 -0.65 0.00 0.00 175.02 173.07 1h38 n PRO 862 N 6.94 0.56 -1.36 4.11 -0.04 -1.26 -4.94 135.00 139.00 1h38 n PRO 862 Ca -0.03 0.22 -0.31 0.00 -0.04 0.00 0.00 63.50 63.35 1h38 n PRO 862 Cb 0.45 -1.82 0.08 0.00 -0.04 0.00 0.00 33.50 32.16 1h38 n PRO 862 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1h38 s ALA 863 N -1.70 2.39 0.07 0.55 0.00 -1.26 -4.93 121.76 116.88 1h38 s ALA 863 Ca 0.70 0.22 -0.31 0.00 0.00 0.00 0.00 51.96 52.57 1h38 s ALA 863 Cb -0.43 -3.24 -0.08 0.00 0.00 0.00 0.00 23.12 19.37 1h38 s ALA 863 CO 0.53 -1.59 1.66 -0.51 0.00 0.00 0.00 175.76 175.84 1h38 s LEU 864 N -5.79 4.37 0.49 0.00 1.02 -1.26 -4.91 118.68 112.60 1h38 s LEU 864 Ca 0.60 2.49 -0.21 0.00 0.02 0.00 0.00 54.13 57.03 1h38 s LEU 864 Cb -0.16 -3.56 -0.10 0.00 0.02 0.00 0.00 46.19 42.39 1h38 s LEU 864 CO 0.55 -0.89 0.70 -0.81 0.02 0.00 0.00 176.35 175.92 1h38 n PRO 865 N 5.62 0.78 -1.85 1.29 -0.04 -1.26 -4.91 135.00 134.63 1h38 n PRO 865 Ca 0.16 0.29 -0.33 0.00 -0.04 0.00 0.00 63.50 63.58 1h38 n PRO 865 Cb 0.40 -1.78 0.04 0.00 -0.04 0.00 0.00 33.50 32.12 1h38 n PRO 865 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1h38 s ALA 866 N -1.51 2.54 1.02 0.55 0.00 -1.26 -5.04 121.76 118.05 1h38 s ALA 866 Ca 0.67 0.55 -0.17 0.00 0.00 0.00 0.00 51.96 53.01 1h38 s ALA 866 Cb -0.52 -3.31 0.22 0.00 0.00 0.00 0.00 23.12 19.51 1h38 s ALA 866 CO 0.55 -1.15 1.26 0.15 0.00 0.00 0.00 175.76 176.58 1h38 s LYS 867 N -4.01 0.23 0.00 0.00 3.01 -1.26 -4.94 119.74 112.77 1h38 s LYS 867 Ca 0.67 -0.30 0.00 0.00 -1.01 0.00 0.00 55.97 55.33 1h38 s LYS 867 Cb -0.20 -1.79 0.00 0.00 -1.01 0.00 0.00 37.83 34.83 1h38 s LYS 867 CO 0.39 -2.71 0.00 0.41 0.51 0.00 0.00 175.35 173.95 1h38 n GLY 868 N -3.04 7.58 1.02 -3.33 0.00 -0.17 -4.94 105.19 102.31 1h38 n GLY 868 Ca 0.14 -2.03 0.08 0.00 0.00 0.00 0.00 46.02 44.22 1h38 n GLY 868 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1h38 n ASN 869 N 0.00 3.59 -4.77 1.61 5.03 -0.73 -4.82 115.26 115.18 1h38 n ASN 869 Ca 0.00 -2.14 -0.38 0.00 0.87 0.00 0.00 54.58 52.93 1h38 n ASN 869 Cb 0.00 -0.39 -0.02 0.00 -1.02 0.00 0.00 39.78 38.35 1h38 n ASN 869 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1h38 s LEU 870 N -1.25 4.20 -0.61 3.41 2.96 -0.13 -4.89 118.68 122.37 1h38 s LEU 870 Ca 0.37 2.36 -0.05 0.00 -0.22 0.00 0.00 54.13 56.59 1h38 s LEU 870 Cb 0.21 -4.01 0.16 0.00 0.50 0.00 0.00 46.19 43.05 1h38 s LEU 870 CO 0.22 -0.67 0.45 0.21 -1.32 0.00 0.00 176.35 175.24 1h38 s ASN 871 N -1.11 5.50 0.45 3.68 2.47 -1.26 -4.86 114.94 119.81 1h38 s ASN 871 Ca 0.57 -2.62 0.39 0.00 0.42 0.00 0.00 52.86 51.61 1h38 s ASN 871 Cb -0.31 -1.92 1.42 0.00 -1.45 0.00 0.00 41.25 38.99 1h38 s ASN 871 CO 0.39 -0.46 1.31 0.18 -3.72 0.00 0.00 177.10 174.81 1h38 n LEU 872 N 3.85 0.04 0.16 3.21 4.77 -1.26 0.13 117.00 127.89 1h38 n LEU 872 Ca 0.06 0.91 0.15 0.00 -0.03 0.00 0.00 56.01 57.09 1h38 n LEU 872 Cb 0.40 -0.45 0.71 0.00 -2.33 0.00 0.00 43.42 41.75 1h38 n LEU 872 CO 0.35 -0.93 1.13 0.03 -1.33 0.00 0.00 177.39 176.63 1h38 h ARG 873 N 0.00 0.00 -0.29 3.23 2.47 -1.93 -1.16 114.38 116.70 1h38 h ARG 873 Ca 0.78 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.51 1h38 h ARG 873 Cb 3.01 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 31.32 1h38 h ARG 873 CO -0.09 0.00 0.19 -0.44 0.56 0.00 0.00 179.97 180.18 1h38 h ASP 874 N 0.00 0.33 -0.99 7.04 3.32 0.67 -2.32 116.42 124.47 1h38 h ASP 874 Ca 0.11 -0.01 0.19 0.00 0.02 0.00 0.00 57.03 57.34 1h38 h ASP 874 Cb 0.46 -0.08 -0.10 0.00 0.22 0.00 0.00 39.33 39.83 1h38 h ASP 874 CO -0.00 0.24 0.61 0.40 -1.72 0.00 0.00 179.24 178.77 1h38 h ILE 875 N 0.39 0.70 0.00 0.35 2.04 -1.28 0.27 117.51 119.97 1h38 h ILE 875 Ca 0.10 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1h38 h ILE 875 Cb -0.04 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.00 1h38 h ILE 875 CO -0.02 0.12 0.11 -0.07 0.00 0.00 0.00 178.15 178.29 1h38 h LEU 876 N 0.68 0.00 -2.75 1.44 3.38 -1.57 -0.39 115.31 116.09 1h38 h LEU 876 Ca 0.55 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.52 1h38 h LEU 876 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1h38 h LEU 876 CO -0.33 0.00 -0.04 -0.62 0.09 0.00 0.00 178.44 177.55 1h38 n GLU 877 N -2.24 1.89 -3.24 1.13 1.02 0.91 -4.98 120.64 115.12 1h38 n GLU 877 Ca -0.01 -1.77 -0.40 0.00 -0.02 0.00 0.00 57.16 54.95 1h38 n GLU 877 Cb 0.14 -1.10 -0.08 0.00 -0.02 0.00 0.00 31.44 30.38 1h38 n GLU 877 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1h38 s SER 878 N -1.61 6.40 -0.03 1.62 0.15 -0.16 -4.42 113.70 115.66 1h38 s SER 878 Ca 0.12 0.38 -0.25 0.00 0.70 0.00 0.00 55.95 56.90 1h38 s SER 878 Cb 0.10 -2.28 -0.20 0.00 -1.71 0.00 0.00 66.02 61.94 1h38 s SER 878 CO 0.01 -0.34 1.19 0.44 1.20 0.00 0.00 173.24 175.75 1h38 h ASP 879 N 8.14 0.13 -0.01 5.45 3.32 -1.88 -3.31 116.42 128.26 1h38 h ASP 879 Ca -0.29 -0.59 -0.00 0.00 0.02 0.00 0.00 57.03 56.17 1h38 h ASP 879 Cb 1.14 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.65 1h38 h ASP 879 CO 0.73 0.70 0.00 0.49 -1.72 0.00 0.00 179.24 179.43 1h38 n PHE 880 N -4.70 0.03 -2.02 4.55 3.72 -1.26 -3.88 117.46 113.90 1h38 n PHE 880 Ca -0.08 -0.08 -0.26 0.00 -0.05 0.00 0.00 57.45 56.97 1h38 n PHE 880 Cb 0.35 -0.13 0.02 0.00 -0.94 0.00 0.00 39.48 38.78 1h38 n PHE 880 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1h38 n ALA 881 N 0.07 5.24 -0.93 4.37 0.00 -1.22 -4.68 120.51 123.36 1h38 n ALA 881 Ca 0.00 -3.87 -0.24 0.00 0.00 0.00 0.00 53.44 49.33 1h38 n ALA 881 Cb 0.30 -0.60 -0.10 0.00 0.00 0.00 0.00 19.45 19.05 1h38 n ALA 881 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1h38 n PHE 882 N -0.68 0.31 -0.55 0.00 3.72 -1.25 -4.83 117.46 114.18 1h38 n PHE 882 Ca 0.46 0.21 0.00 0.00 -0.05 0.00 0.00 57.45 58.07 1h38 n PHE 882 Cb 0.85 -1.35 0.00 0.00 -0.94 0.00 0.00 39.48 38.03 1h38 n PHE 882 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71