#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k8h h LYS 2 N 0.00 -0.28 -1.82 1.61 1.57 -2.12 -3.49 116.57 112.04 1k8h h LYS 2 Ca 0.00 0.02 0.27 0.00 -1.87 0.00 0.00 60.65 59.07 1k8h h LYS 2 Cb 0.00 0.06 -0.10 0.00 0.08 0.00 0.00 32.23 32.27 1k8h h LYS 2 CO 0.00 0.09 0.72 0.45 -0.57 0.00 0.00 179.45 180.14 1k8h s SER 3 N -5.35 -0.08 0.82 0.86 0.15 -1.26 -5.17 113.70 103.68 1k8h s SER 3 Ca -0.12 -0.26 -0.11 0.00 0.70 0.00 0.00 55.95 56.17 1k8h s SER 3 Cb 0.01 0.28 0.09 0.00 -1.71 0.00 0.00 66.02 64.68 1k8h s SER 3 CO 0.43 -0.52 1.09 -0.62 1.20 0.00 0.00 173.24 174.82 1k8h s ASP 4 N -3.06 4.11 0.13 5.45 2.15 -1.26 -5.07 116.67 119.11 1k8h s ASP 4 Ca 0.15 1.60 -0.18 0.00 0.43 0.00 0.00 52.55 54.55 1k8h s ASP 4 Cb 0.02 -2.31 0.04 0.00 -0.30 0.00 0.00 42.92 40.38 1k8h s ASP 4 CO -0.01 -2.25 0.45 -0.54 -0.17 0.00 0.00 175.17 172.65 1k8h s LYS 5 N -4.96 1.11 0.17 4.34 -0.14 -1.26 -5.16 119.74 113.85 1k8h s LYS 5 Ca 0.62 -0.63 -0.22 0.00 -1.36 0.00 0.00 55.97 54.38 1k8h s LYS 5 Cb -0.17 0.50 -0.08 0.00 -1.68 0.00 0.00 37.83 36.40 1k8h s LYS 5 CO 0.56 -0.45 0.72 0.42 -0.76 0.00 0.00 175.35 175.84 1k8h s ILE 6 N -3.72 4.50 -0.20 2.17 1.09 -1.26 -5.00 121.20 118.78 1k8h s ILE 6 Ca 0.02 1.47 -0.17 0.00 -1.10 0.00 0.00 60.65 60.87 1k8h s ILE 6 Cb 0.01 -4.00 -0.03 0.00 -1.06 0.00 0.00 42.46 37.37 1k8h s ILE 6 CO -0.12 0.43 0.48 -0.63 -0.10 0.00 0.00 174.94 175.00 1k8h s ILE 7 N -1.26 5.14 0.17 2.92 1.09 -1.23 -5.04 121.20 122.99 1k8h s ILE 7 Ca 0.37 0.86 -0.11 0.00 -1.10 0.00 0.00 60.65 60.67 1k8h s ILE 7 Cb -0.20 -3.80 -0.07 0.00 -1.06 0.00 0.00 42.46 37.33 1k8h s ILE 7 CO 0.23 0.20 0.52 -2.16 -0.10 0.00 0.00 174.94 173.63 1k8h s PRO 8 N 1.56 3.86 0.22 2.79 0.04 -1.26 -2.25 135.00 139.96 1k8h s PRO 8 Ca 0.22 0.33 -0.01 0.00 0.04 0.00 0.00 61.00 61.58 1k8h s PRO 8 Cb -0.15 -2.83 -0.03 0.00 0.04 0.00 0.00 34.50 31.53 1k8h s PRO 8 CO 0.09 0.43 0.19 0.42 0.04 0.00 0.00 177.00 178.17 1k8h s ILE 9 N -1.60 0.00 0.48 0.56 1.01 -0.62 -4.94 121.20 116.09 1k8h s ILE 9 Ca 0.41 -1.93 0.00 0.00 0.00 0.00 0.00 60.65 59.12 1k8h s ILE 9 Cb -0.13 -2.48 0.00 0.00 0.01 0.00 0.00 42.46 39.86 1k8h s ILE 9 CO 0.20 0.00 0.00 0.00 0.00 0.00 0.00 174.94 175.14 1k8h n ALA 10 N -0.33 -2.79 -3.55 9.38 0.00 -1.23 -2.32 120.51 119.67 1k8h n ALA 10 Ca 0.02 0.64 0.02 0.00 0.00 0.00 0.00 53.44 54.12 1k8h n ALA 10 Cb 0.65 -1.33 -0.06 0.00 0.00 0.00 0.00 19.45 18.72 1k8h n ALA 10 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1k8h s GLU 11 N -4.69 0.06 0.00 0.00 2.12 -1.12 -4.50 118.70 110.57 1k8h s GLU 11 Ca 0.00 0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.44 1k8h s GLU 11 Cb 0.00 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.42 1k8h s GLU 11 CO 0.00 -0.01 0.00 0.27 -0.54 0.00 0.00 175.26 174.98 1k8h n ASN 12 N 3.44 0.00 -2.25 -1.70 0.23 -1.25 -5.02 115.26 108.70 1k8h n ASN 12 Ca -0.15 0.00 -0.06 0.00 -0.53 0.00 0.00 54.58 53.84 1k8h n ASN 12 Cb 0.56 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 38.31 1k8h n ASN 12 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1k8h n LYS 13 N -0.02 2.03 -0.02 -3.83 4.76 -1.26 -4.78 118.16 115.04 1k8h n LYS 13 Ca 0.00 -3.48 -0.13 0.00 -2.87 0.00 0.00 58.31 51.83 1k8h n LYS 13 Cb 0.00 -1.59 -0.10 0.00 -1.84 0.00 0.00 35.03 31.51 1k8h n LYS 13 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1k8h h GLU 14 N 2.15 0.02 0.10 1.97 4.57 -1.97 -3.05 114.58 118.36 1k8h h GLU 14 Ca 0.00 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1k8h h GLU 14 Cb 1.41 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.96 1k8h h GLU 14 CO 0.32 0.52 -0.39 0.00 -1.18 0.00 0.00 179.01 178.28 1k8h h ALA 15 N 0.50 -0.68 -0.62 2.92 0.00 -1.89 -2.51 119.26 116.97 1k8h h ALA 15 Ca 0.00 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 54.98 1k8h h ALA 15 Cb 0.51 0.66 -0.11 0.00 0.00 0.00 0.00 17.79 18.85 1k8h h ALA 15 CO 0.00 -0.95 -0.06 -0.22 0.00 0.00 0.00 179.25 178.02 1k8h h LYS 16 N -0.61 0.06 -0.54 0.00 1.63 -1.65 0.42 116.57 115.87 1k8h h LYS 16 Ca 0.03 -0.00 0.11 0.00 -0.85 0.00 0.00 60.65 59.93 1k8h h LYS 16 Cb 0.65 -0.01 -0.10 0.00 -0.60 0.00 0.00 32.23 32.17 1k8h h LYS 16 CO -0.24 0.04 -0.12 0.00 -3.45 0.00 0.00 179.45 175.68 1k8h h ALA 17 N 1.59 0.38 -3.00 5.00 0.00 -1.34 -3.41 119.26 118.48 1k8h h ALA 17 Ca 0.31 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1k8h h ALA 17 Cb 0.50 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1k8h h ALA 17 CO -0.58 -0.43 0.00 1.63 0.00 0.00 0.00 179.25 179.87 1k8h n LYS 18 N -5.37 0.00 -1.42 0.00 4.01 -0.42 -4.99 118.16 109.97 1k8h n LYS 18 Ca 0.06 0.00 -0.50 0.00 -0.51 0.00 0.00 58.31 57.36 1k8h n LYS 18 Cb 0.29 0.00 -0.09 0.00 -0.51 0.00 0.00 35.03 34.72 1k8h n LYS 18 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1k8h n TYR 19 N -1.05 1.35 -2.29 2.13 4.02 0.13 -4.86 117.16 116.60 1k8h n TYR 19 Ca 0.00 0.37 -0.42 0.00 -0.01 0.00 0.00 57.90 57.84 1k8h n TYR 19 Cb 0.00 -2.47 -0.03 0.00 -0.02 0.00 0.00 39.34 36.82 1k8h n TYR 19 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1k8h s ASP 20 N 7.77 6.90 0.44 7.72 1.11 -1.26 -3.43 116.67 135.92 1k8h s ASP 20 Ca 1.14 2.00 -0.14 0.00 0.18 0.00 0.00 52.55 55.74 1k8h s ASP 20 Cb -0.97 -2.56 -0.07 0.00 1.07 0.00 0.00 42.92 40.38 1k8h s ASP 20 CO 0.50 -0.70 0.85 -0.63 1.18 0.00 0.00 175.17 176.38 1k8h s ILE 21 N 2.51 4.66 0.01 0.77 1.01 -1.26 -2.57 121.20 126.34 1k8h s ILE 21 Ca 0.61 0.91 0.00 0.00 0.00 0.00 0.00 60.65 62.17 1k8h s ILE 21 Cb -0.29 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.47 1k8h s ILE 21 CO 0.24 -0.54 0.00 0.18 0.00 0.00 0.00 174.94 174.83 1k8h n LEU 22 N -1.27 0.02 -4.91 2.97 4.32 0.62 -4.94 117.00 113.80 1k8h n LEU 22 Ca 0.04 0.01 -0.21 0.00 -0.02 0.00 0.00 56.01 55.84 1k8h n LEU 22 Cb 0.54 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.32 1k8h n LEU 22 CO 0.46 -0.51 0.05 -0.70 -1.22 0.00 0.00 177.39 175.46 1k8h s GLU 23 N -1.04 2.53 0.11 3.23 2.56 -1.25 -4.97 118.70 119.87 1k8h s GLU 23 Ca 0.00 -1.55 0.01 0.00 0.00 0.00 0.00 54.97 53.42 1k8h s GLU 23 Cb 0.00 -2.41 -0.04 0.00 2.00 0.00 0.00 34.13 33.67 1k8h s GLU 23 CO 0.00 -0.29 -0.02 0.95 -0.56 0.00 0.00 175.26 175.35 1k8h s THR 24 N -2.50 0.46 0.12 -1.70 -4.23 -1.26 -1.07 115.64 105.47 1k8h s THR 24 Ca 0.49 -1.91 0.10 0.00 -1.18 0.00 0.00 61.69 59.18 1k8h s THR 24 Cb -0.04 -1.83 -0.04 0.00 1.34 0.00 0.00 72.50 71.93 1k8h s THR 24 CO 0.29 -0.72 -0.26 -0.31 -0.54 0.00 0.00 174.62 173.08 1k8h s TYR 25 N -3.78 2.20 -0.12 3.99 2.02 -0.70 -4.97 117.35 115.99 1k8h s TYR 25 Ca 0.16 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.49 1k8h s TYR 25 Cb 0.07 -1.20 0.02 0.00 -0.40 0.00 0.00 41.96 40.44 1k8h s TYR 25 CO -0.02 0.30 -0.16 -2.00 -1.57 0.00 0.00 175.55 172.10 1k8h s GLU 26 N -2.00 2.35 0.08 -0.62 2.12 -1.26 -2.55 118.70 116.83 1k8h s GLU 26 Ca 0.12 -0.60 0.02 0.00 0.36 0.00 0.00 54.97 54.87 1k8h s GLU 26 Cb -0.10 -2.01 -0.03 0.00 0.26 0.00 0.00 34.13 32.25 1k8h s GLU 26 CO 0.05 -0.09 -0.08 0.00 -0.54 0.00 0.00 175.26 174.61 1k8h s ALA 27 N 1.05 0.85 -0.12 6.30 0.00 -1.10 -4.84 121.76 123.90 1k8h s ALA 27 Ca -0.05 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 50.83 1k8h s ALA 27 Cb -0.15 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.08 1k8h s ALA 27 CO -0.03 -0.12 -0.17 0.20 0.00 0.00 0.00 175.76 175.64 1k8h s GLY 28 N -2.38 1.14 0.34 0.00 0.00 -1.25 -1.39 107.32 103.78 1k8h s GLY 28 Ca 0.02 -0.85 0.07 0.00 0.00 0.00 0.00 44.72 43.96 1k8h s GLY 28 CO -0.02 0.20 0.31 -0.26 0.00 0.00 0.00 173.10 173.33 1k8h s ILE 29 N 1.01 3.53 0.00 0.90 -4.36 0.22 -1.96 121.20 120.55 1k8h s ILE 29 Ca -0.05 -1.35 0.00 0.00 -0.26 0.00 0.00 60.65 58.99 1k8h s ILE 29 Cb -0.15 -3.19 0.00 0.00 1.25 0.00 0.00 42.46 40.37 1k8h s ILE 29 CO -0.03 -0.17 0.00 0.55 0.24 0.00 0.00 174.94 175.53 1k8h n VAL 30 N -1.39 0.00 -4.01 8.37 3.14 -1.26 -3.04 118.33 120.13 1k8h n VAL 30 Ca -0.02 0.00 -0.26 0.00 -2.96 0.00 0.00 64.34 61.10 1k8h n VAL 30 Cb 0.60 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.35 1k8h n VAL 30 CO 0.00 0.00 0.00 -1.48 -6.46 0.00 0.00 176.83 168.89 1k8h s LEU 31 N 0.00 2.79 0.31 6.55 2.34 -1.26 -4.89 118.68 124.52 1k8h s LEU 31 Ca 0.00 -1.22 0.00 0.00 0.06 0.00 0.00 54.13 52.97 1k8h s LEU 31 Cb 0.00 -1.26 0.00 0.00 -0.56 0.00 0.00 46.19 44.37 1k8h s LEU 31 CO 0.00 -0.93 0.00 1.17 -1.06 0.00 0.00 176.35 175.53 1k8h n LYS 32 N -1.59 0.00 -3.60 1.48 4.81 -1.26 -5.03 118.16 112.98 1k8h n LYS 32 Ca -0.03 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.14 1k8h n LYS 32 Cb 0.64 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.59 1k8h n LYS 32 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1k8h n GLY 33 N 0.04 3.12 2.26 3.14 0.00 -1.26 -4.86 105.19 107.63 1k8h n GLY 33 Ca 0.00 -1.94 -0.14 0.00 0.00 0.00 0.00 46.02 43.94 1k8h n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1k8h n SER 34 N 2.27 -4.04 -0.02 1.61 2.88 -1.26 -4.84 113.62 110.22 1k8h n SER 34 Ca 0.25 0.25 -0.13 0.00 -1.33 0.00 0.00 58.87 57.91 1k8h n SER 34 Cb 0.42 -3.57 -0.10 0.00 -0.75 0.00 0.00 64.21 60.22 1k8h n SER 34 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1k8h h GLU 35 N 0.00 0.02 -0.53 -1.46 4.39 -1.96 -1.96 114.58 113.08 1k8h h GLU 35 Ca -0.31 -0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.48 1k8h h GLU 35 Cb 1.09 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.64 1k8h h GLU 35 CO 0.41 0.52 -0.08 -0.24 -1.16 0.00 0.00 179.01 178.46 1k8h h VAL 36 N -0.48 0.51 -0.02 3.13 3.04 -1.90 -1.82 116.25 118.71 1k8h h VAL 36 Ca 0.00 -0.01 -0.01 0.00 -1.01 0.00 0.00 66.70 65.67 1k8h h VAL 36 Cb 0.51 0.46 -0.00 0.00 -2.01 0.00 0.00 31.29 30.25 1k8h h VAL 36 CO 0.00 0.01 -0.01 0.11 -1.01 0.00 0.00 177.57 176.67 1k8h h LYS 37 N 0.04 0.04 -0.47 4.17 1.79 -1.96 -1.50 116.57 118.68 1k8h h LYS 37 Ca 0.26 -0.02 0.10 0.00 -2.18 0.00 0.00 60.65 58.81 1k8h h LYS 37 Cb 0.41 -0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 30.96 1k8h h LYS 37 CO -0.51 0.47 -0.19 0.66 -1.08 0.00 0.00 179.45 178.80 1k8h h SER 38 N -0.38 -0.65 -0.03 0.86 4.64 -0.98 -0.19 113.55 116.82 1k8h h SER 38 Ca 0.00 0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 1k8h h SER 38 Cb 0.45 0.37 -0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1k8h h SER 38 CO 0.00 -0.22 -0.04 -0.07 -0.87 0.00 0.00 176.83 175.64 1k8h h LEU 39 N -0.08 0.09 -0.56 5.97 3.38 -1.41 -2.93 115.31 119.76 1k8h h LEU 39 Ca 0.23 -0.50 0.11 0.00 0.09 0.00 0.00 57.88 57.81 1k8h h LEU 39 Cb 0.43 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.05 1k8h h LEU 39 CO -0.53 0.57 -0.11 -0.09 0.09 0.00 0.00 178.44 178.37 1k8h h ARG 40 N -0.40 0.02 0.17 1.13 2.43 -0.88 -2.87 114.38 113.98 1k8h h ARG 40 Ca 0.00 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1k8h h ARG 40 Cb 0.55 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1k8h h ARG 40 CO 0.01 0.01 -0.11 1.49 -1.51 0.00 0.00 179.97 179.87 1k8h h GLU 41 N 0.02 -0.25 -0.07 0.20 4.81 -1.09 -3.45 114.58 114.75 1k8h h GLU 41 Ca 0.27 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.48 1k8h h GLU 41 Cb 0.42 0.06 -0.14 0.00 0.63 0.00 0.00 28.75 29.72 1k8h h GLU 41 CO -0.55 -0.17 -0.08 1.17 -0.73 0.00 0.00 179.01 178.65 1k8h n LYS 42 N -2.85 0.12 0.00 1.92 3.00 -1.11 -5.12 118.16 114.11 1k8h n LYS 42 Ca -0.03 -0.73 0.00 0.00 -0.00 0.00 0.00 58.31 57.55 1k8h n LYS 42 Cb 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 35.03 35.05 1k8h n LYS 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1k8h n GLY 43 N 1.94 -3.31 3.27 3.14 0.00 -1.10 -4.93 105.19 104.20 1k8h n GLY 43 Ca 0.05 -1.14 -0.13 0.00 0.00 0.00 0.00 46.02 44.81 1k8h n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k8h s THR 44 N 0.00 0.00 -0.28 2.61 2.01 -1.26 -5.05 115.64 113.67 1k8h s THR 44 Ca 0.00 -0.02 -0.04 0.00 0.31 0.00 0.00 61.69 61.94 1k8h s THR 44 Cb 0.00 -0.54 0.10 0.00 0.01 0.00 0.00 72.50 72.07 1k8h s THR 44 CO 0.00 -0.01 0.12 -0.69 -0.69 0.00 0.00 174.62 173.35 1k8h s VAL 45 N 0.11 -0.03 0.00 3.82 1.01 -1.26 -3.23 120.40 120.83 1k8h s VAL 45 Ca -0.01 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1k8h s VAL 45 Cb -0.03 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.38 1k8h s VAL 45 CO 0.01 -0.68 0.20 -1.54 0.00 0.00 0.00 175.10 173.08 1k8h n SER 46 N 5.23 0.00 -1.21 3.32 3.41 -1.26 -4.98 113.62 118.14 1k8h n SER 46 Ca -0.06 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1k8h n SER 46 Cb 0.43 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 1k8h n SER 46 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1k8h n PHE 47 N -0.86 -1.44 -3.68 7.33 7.35 -1.26 -5.14 117.46 119.75 1k8h n PHE 47 Ca 0.00 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.58 1k8h n PHE 47 Cb 0.00 0.00 -0.12 0.00 0.35 0.00 0.00 39.48 39.71 1k8h n PHE 47 CO 0.00 0.00 0.00 -1.59 -0.76 0.00 0.00 176.76 174.41 1k8h s LYS 48 N 0.35 0.27 0.00 -4.13 0.00 -1.26 -4.80 119.74 110.17 1k8h s LYS 48 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 55.97 56.75 1k8h s LYS 48 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 37.83 37.87 1k8h s LYS 48 CO 0.00 -0.22 0.00 -0.25 0.00 0.00 0.00 175.35 174.88 1k8h n ASP 49 N 4.83 0.00 -4.12 0.03 8.00 -1.26 -4.96 116.55 119.07 1k8h n ASP 49 Ca -0.15 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.11 1k8h n ASP 49 Cb 0.52 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.46 1k8h n ASP 49 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1k8h s SER 50 N 0.00 1.81 0.21 -2.24 1.04 -1.26 -2.24 113.70 111.02 1k8h s SER 50 Ca 0.00 -0.28 0.09 0.00 0.48 0.00 0.00 55.95 56.23 1k8h s SER 50 Cb 0.00 -0.29 -0.05 0.00 0.10 0.00 0.00 66.02 65.79 1k8h s SER 50 CO 0.00 0.17 -0.16 -0.36 0.98 0.00 0.00 173.24 173.87 1k8h s PHE 51 N -0.23 1.82 -0.08 5.02 0.08 -0.34 -4.44 117.98 119.81 1k8h s PHE 51 Ca 0.03 -0.52 0.03 0.00 0.12 0.00 0.00 56.93 56.60 1k8h s PHE 51 Cb -0.07 -0.84 0.01 0.00 -0.57 0.00 0.00 43.02 41.54 1k8h s PHE 51 CO 0.00 0.41 -0.17 0.14 -0.10 0.00 0.00 175.22 175.51 1k8h s VAL 52 N -2.75 1.50 -0.12 -0.44 -7.23 -1.24 -1.53 120.40 108.60 1k8h s VAL 52 Ca 0.23 -0.69 0.02 0.00 -1.81 0.00 0.00 61.98 59.72 1k8h s VAL 52 Cb -0.02 -1.34 0.01 0.00 0.56 0.00 0.00 36.38 35.60 1k8h s VAL 52 CO 0.08 0.44 -0.16 -0.13 -0.31 0.00 0.00 175.10 175.01 1k8h s ARG 53 N 0.56 2.38 -0.22 4.82 0.52 -0.94 -4.44 118.95 121.63 1k8h s ARG 53 Ca -0.16 -0.62 -0.07 0.00 -0.52 0.00 0.00 55.73 54.36 1k8h s ARG 53 Cb -0.17 -2.01 -0.04 0.00 0.52 0.00 0.00 34.95 33.26 1k8h s ARG 53 CO 0.05 -0.07 0.07 0.96 0.02 0.00 0.00 175.30 176.34 1k8h s ILE 54 N 1.00 4.56 0.22 1.52 -5.25 -1.26 -2.08 121.20 119.90 1k8h s ILE 54 Ca -0.06 -0.10 -0.02 0.00 -0.99 0.00 0.00 60.65 59.48 1k8h s ILE 54 Cb -0.15 -3.10 -0.03 0.00 2.95 0.00 0.00 42.46 42.13 1k8h s ILE 54 CO -0.02 0.39 0.19 -0.70 -1.79 0.00 0.00 174.94 173.00 1k8h s GLU 55 N 1.08 1.29 2.65 0.37 2.12 -1.22 -4.96 118.70 120.03 1k8h s GLU 55 Ca 0.04 -1.60 0.00 0.00 0.36 0.00 0.00 54.97 53.78 1k8h s GLU 55 Cb -0.14 0.30 0.00 0.00 0.26 0.00 0.00 34.13 34.55 1k8h s GLU 55 CO 0.03 -0.45 0.00 0.09 -0.54 0.00 0.00 175.26 174.40 1k8h n ASN 56 N -0.37 0.00 0.00 -1.70 3.02 -1.26 -2.35 115.26 112.60 1k8h n ASN 56 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1k8h n ASN 56 Cb 0.65 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.82 1k8h n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k8h n GLY 57 N 0.00 1.00 3.12 7.41 0.00 -1.26 -4.60 105.19 110.86 1k8h n GLY 57 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1k8h n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k8h s GLU 58 N 0.00 0.94 0.13 1.61 2.02 -0.99 -4.03 118.70 118.37 1k8h s GLU 58 Ca 0.00 -0.66 -0.30 0.00 0.02 0.00 0.00 54.97 54.03 1k8h s GLU 58 Cb 0.00 -0.93 -0.06 0.00 0.10 0.00 0.00 34.13 33.24 1k8h s GLU 58 CO 0.00 0.24 1.08 0.00 0.02 0.00 0.00 175.26 176.60 1k8h s ALA 59 N -0.69 3.33 -0.09 5.21 0.00 -1.12 -3.43 121.76 124.97 1k8h s ALA 59 Ca 0.02 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.73 1k8h s ALA 59 Cb -0.07 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 1k8h s ALA 59 CO 0.01 -0.21 -0.07 -1.58 0.00 0.00 0.00 175.76 173.90 1k8h s TRP 60 N 0.15 2.94 -0.20 0.00 0.52 -0.88 -1.18 118.94 120.28 1k8h s TRP 60 Ca 0.51 -0.08 -0.06 0.00 0.02 0.00 0.00 56.10 56.50 1k8h s TRP 60 Cb -0.27 -1.76 -0.03 0.00 -1.15 0.00 0.00 33.47 30.26 1k8h s TRP 60 CO 0.32 0.23 0.02 -1.17 0.02 0.00 0.00 176.95 176.37 1k8h s LEU 61 N -0.54 3.35 -0.14 2.99 1.98 -0.80 -2.21 118.68 123.31 1k8h s LEU 61 Ca 0.08 -0.16 0.02 0.00 -2.89 0.00 0.00 54.13 51.18 1k8h s LEU 61 Cb -0.12 -1.85 0.01 0.00 0.66 0.00 0.00 46.19 44.89 1k8h s LEU 61 CO 0.02 0.07 -0.22 -0.31 -1.89 0.00 0.00 176.35 174.02 1k8h s TYR 62 N 0.98 2.68 -0.09 5.38 2.02 -0.58 -2.81 117.35 124.94 1k8h s TYR 62 Ca 0.02 -1.35 0.03 0.00 -0.37 0.00 0.00 57.07 55.40 1k8h s TYR 62 Cb -0.14 -1.82 0.01 0.00 -0.40 0.00 0.00 41.96 39.60 1k8h s TYR 62 CO 0.02 -0.62 -0.17 -0.80 -1.57 0.00 0.00 175.55 172.41 1k8h s ASN 63 N 0.84 2.38 -0.20 2.29 0.01 -1.08 -1.20 114.94 117.98 1k8h s ASN 63 Ca -0.06 -0.42 0.12 0.00 -0.71 0.00 0.00 52.86 51.79 1k8h s ASN 63 Cb -0.15 -1.09 0.41 0.00 0.41 0.00 0.00 41.25 40.83 1k8h s ASN 63 CO -0.03 0.07 1.21 0.18 -1.51 0.00 0.00 177.10 177.03 1k8h n LEU 64 N 3.82 2.67 -0.08 0.60 4.32 -0.95 -3.95 117.00 123.43 1k8h n LEU 64 Ca -0.21 -3.83 0.00 0.00 -0.02 0.00 0.00 56.01 51.95 1k8h n LEU 64 Cb 0.52 -0.52 0.01 0.00 -1.62 0.00 0.00 43.42 41.81 1k8h n LEU 64 CO 0.26 1.35 0.30 0.00 -1.22 0.00 0.00 177.39 178.08 1k8h n TYR 65 N -1.13 0.00 -3.11 -1.77 4.11 -1.26 -4.62 117.16 109.38 1k8h n TYR 65 Ca 0.19 -0.12 -0.36 0.00 -0.00 0.00 0.00 57.90 57.61 1k8h n TYR 65 Cb 0.69 -0.02 -0.06 0.00 -0.00 0.00 0.00 39.34 39.95 1k8h n TYR 65 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.86 175.36 1k8h s ILE 66 N -0.26 4.58 -0.42 -3.48 1.10 -1.26 -4.03 121.20 117.42 1k8h s ILE 66 Ca 0.01 1.29 0.04 0.00 -0.51 0.00 0.00 60.65 61.48 1k8h s ILE 66 Cb 0.01 -3.88 0.17 0.00 0.15 0.00 0.00 42.46 38.91 1k8h s ILE 66 CO 0.00 0.25 0.34 0.00 -2.11 0.00 0.00 174.94 173.43 1k8h s ALA 67 N -1.47 1.49 1.11 1.50 0.00 -1.20 -4.78 121.76 118.42 1k8h s ALA 67 Ca 0.41 -2.50 -0.16 0.00 0.00 0.00 0.00 51.96 49.71 1k8h s ALA 67 Cb -0.17 -1.62 0.14 0.00 0.00 0.00 0.00 23.12 21.47 1k8h s ALA 67 CO 0.21 -1.98 0.30 -2.30 0.00 0.00 0.00 175.76 172.00 1k8h n PRO 68 N 2.84 -1.63 -3.15 0.00 -0.02 -1.26 -4.27 135.00 127.50 1k8h n PRO 68 Ca 0.29 -0.45 0.06 0.00 -2.02 0.00 0.00 63.50 61.37 1k8h n PRO 68 Cb 0.47 -1.84 -0.02 0.00 -0.02 0.00 0.00 33.50 32.10 1k8h n PRO 68 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1k8h s TYR 69 N -2.30 -0.19 -0.02 6.00 2.02 -1.26 -4.97 117.35 116.63 1k8h s TYR 69 Ca 0.59 0.18 0.01 0.00 -0.37 0.00 0.00 57.07 57.48 1k8h s TYR 69 Cb -0.16 0.06 -0.02 0.00 -0.40 0.00 0.00 41.96 41.44 1k8h s TYR 69 CO 0.66 -0.10 -0.01 0.36 -1.57 0.00 0.00 175.55 174.89 1k8h n LYS 70 N 5.42 1.29 -0.86 -0.62 0.00 -1.26 -4.89 118.16 117.25 1k8h n LYS 70 Ca -0.06 0.01 -0.03 0.00 -0.00 0.00 0.00 58.31 58.23 1k8h n LYS 70 Cb 0.55 -1.04 -0.03 0.00 -0.00 0.00 0.00 35.03 34.51 1k8h n LYS 70 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1k8h n HIS 71 N -2.40 0.00 -1.56 5.58 8.25 -1.26 -5.15 115.22 118.68 1k8h n HIS 71 Ca -0.04 -0.29 0.09 0.00 -0.26 0.00 0.00 57.72 57.22 1k8h n HIS 71 Cb 0.55 0.28 -0.02 0.00 1.12 0.00 0.00 29.99 31.92 1k8h n HIS 71 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1k8h n ALA 72 N 0.06 -2.24 -2.91 -1.41 0.00 -1.26 -4.95 120.51 107.80 1k8h n ALA 72 Ca -0.12 0.21 -0.10 0.00 0.00 0.00 0.00 53.44 53.43 1k8h n ALA 72 Cb 0.69 -0.72 0.01 0.00 0.00 0.00 0.00 19.45 19.43 1k8h n ALA 72 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1k8h n THR 73 N -2.43-10.30 -4.72 0.00 -1.04 -1.26 -5.03 114.28 89.51 1k8h n THR 73 Ca 0.00 0.95 -0.28 0.00 -2.04 0.00 0.00 64.05 62.68 1k8h n THR 73 Cb 0.30 -6.76 -0.17 0.00 -1.82 0.00 0.00 70.33 61.88 1k8h n THR 73 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1k8h s ILE 74 N -2.31 1.50 -0.19 12.58 -4.36 -1.26 -5.12 121.20 122.04 1k8h s ILE 74 Ca 0.22 -0.68 -0.02 0.00 -0.26 0.00 0.00 60.65 59.92 1k8h s ILE 74 Cb -0.05 -1.35 -0.00 0.00 1.25 0.00 0.00 42.46 42.31 1k8h s ILE 74 CO 0.77 0.44 -0.11 -0.70 0.24 0.00 0.00 174.94 175.58 1k8h s GLU 75 N 0.68 3.25 -0.83 0.37 2.12 -1.26 -4.74 118.70 118.29 1k8h s GLU 75 Ca -0.13 -0.70 -0.03 0.00 0.36 0.00 0.00 54.97 54.47 1k8h s GLU 75 Cb -0.16 -2.82 -0.03 0.00 0.26 0.00 0.00 34.13 31.38 1k8h s GLU 75 CO 0.03 -0.14 0.76 0.09 -0.54 0.00 0.00 175.26 175.46 1k8h n ASN 76 N 4.56 -7.01 -4.75 -1.70 4.13 -1.26 -5.03 115.26 104.20 1k8h n ASN 76 Ca -0.19 -0.34 -0.23 0.00 1.68 0.00 0.00 54.58 55.49 1k8h n ASN 76 Cb 0.51 -5.04 0.09 0.00 -1.54 0.00 0.00 39.78 33.80 1k8h n ASN 76 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 1k8h s HIS 77 N -3.17 2.01 -0.45 3.10 2.46 -1.26 -5.08 115.29 112.90 1k8h s HIS 77 Ca 0.20 -0.13 0.04 0.00 0.47 0.00 0.00 55.06 55.64 1k8h s HIS 77 Cb -0.03 -2.99 0.12 0.00 -0.13 0.00 0.00 32.58 29.55 1k8h s HIS 77 CO 0.71 -1.51 0.18 0.34 -2.47 0.00 0.00 174.74 171.98 1k8h s ASP 78 N -4.65 4.50 0.00 9.88 -1.08 -1.26 -4.94 116.67 119.12 1k8h s ASP 78 Ca 0.64 -2.68 0.25 0.00 -0.52 0.00 0.00 52.55 50.24 1k8h s ASP 78 Cb -0.07 -1.64 1.46 0.00 -1.46 0.00 0.00 42.92 41.21 1k8h s ASP 78 CO 0.43 -0.29 1.87 -0.81 0.52 0.00 0.00 175.17 176.89 1k8h n PRO 79 N 3.56 0.69 -0.06 4.34 -0.04 -1.26 -3.52 135.00 138.70 1k8h n PRO 79 Ca 0.05 0.01 -0.14 0.00 -0.04 0.00 0.00 63.50 63.38 1k8h n PRO 79 Cb 0.36 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.25 1k8h n PRO 79 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1k8h h LEU 80 N 0.00 0.57 -2.05 1.53 3.38 -1.91 -3.37 115.31 113.47 1k8h h LEU 80 Ca 0.00 -0.53 -0.32 0.00 0.09 0.00 0.00 57.88 57.11 1k8h h LEU 80 Cb 0.06 -0.16 0.16 0.00 0.09 0.00 0.00 40.66 40.81 1k8h h LEU 80 CO 0.00 1.00 -0.82 -1.14 0.09 0.00 0.00 178.44 177.57 1k8h n ARG 81 N -4.36 -4.52 -1.70 1.13 0.63 -1.23 -2.63 116.66 103.99 1k8h n ARG 81 Ca -0.06 0.80 -0.42 0.00 -0.92 0.00 0.00 57.85 57.25 1k8h n ARG 81 Cb 0.47 -5.65 -0.03 0.00 0.45 0.00 0.00 32.46 27.70 1k8h n ARG 81 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1k8h s LYS 82 N -5.14 3.77 -0.05 -0.14 -0.14 -1.26 -4.51 119.74 112.25 1k8h s LYS 82 Ca 0.19 2.31 0.06 0.00 -1.36 0.00 0.00 55.97 57.17 1k8h s LYS 82 Cb -0.03 -4.22 -0.01 0.00 -1.68 0.00 0.00 37.83 31.89 1k8h s LYS 82 CO 0.75 -1.37 -0.23 1.03 -0.76 0.00 0.00 175.35 174.77 1k8h s ARG 83 N 5.11 2.34 -0.23 1.68 3.00 -1.12 -5.06 118.95 124.66 1k8h s ARG 83 Ca 0.90 -0.82 -0.09 0.00 0.00 0.00 0.00 55.73 55.72 1k8h s ARG 83 Cb -0.37 -1.99 -0.04 0.00 0.00 0.00 0.00 34.95 32.54 1k8h s ARG 83 CO 0.38 0.34 0.12 0.21 0.00 0.00 0.00 175.30 176.35 1k8h s LYS 84 N -0.10 3.97 -0.03 3.54 2.20 -1.26 -1.91 119.74 126.15 1k8h s LYS 84 Ca -0.04 -0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.24 1k8h s LYS 84 Cb -0.13 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 1k8h s LYS 84 CO 0.03 0.05 0.02 -0.51 -0.36 0.00 0.00 175.35 174.58 1k8h s LEU 85 N 1.05 3.60 0.74 5.43 1.02 -0.33 -4.54 118.68 125.66 1k8h s LEU 85 Ca 0.06 0.07 -0.11 0.00 0.02 0.00 0.00 54.13 54.17 1k8h s LEU 85 Cb -0.14 -1.99 0.04 0.00 0.02 0.00 0.00 46.19 44.12 1k8h s LEU 85 CO 0.04 0.31 1.08 -0.76 0.02 0.00 0.00 176.35 177.04 1k8h s LEU 86 N -1.37 2.98 -0.29 1.79 1.43 -0.83 -2.79 118.68 119.60 1k8h s LEU 86 Ca 0.18 1.63 -0.28 0.00 -1.03 0.00 0.00 54.13 54.64 1k8h s LEU 86 Cb -0.12 -4.39 0.19 0.00 0.03 0.00 0.00 46.19 41.91 1k8h s LEU 86 CO 0.08 -1.77 1.40 -0.22 0.23 0.00 0.00 176.35 176.08 1k8h s LEU 87 N -5.73 -0.03 0.00 1.79 1.98 -1.26 -3.84 118.68 111.58 1k8h s LEU 87 Ca 0.60 0.05 -0.14 0.00 -2.89 0.00 0.00 54.13 51.74 1k8h s LEU 87 Cb -0.15 1.07 0.22 0.00 0.66 0.00 0.00 46.19 47.99 1k8h s LEU 87 CO 0.55 -0.02 0.57 1.41 -1.89 0.00 0.00 176.35 176.98 1k8h n HIS 88 N 0.92 -3.24 -0.09 5.38 8.25 -1.26 -4.50 115.22 120.68 1k8h n HIS 88 Ca -0.04 -0.53 -0.11 0.00 -0.26 0.00 0.00 57.72 56.77 1k8h n HIS 88 Cb 0.58 -0.74 -0.12 0.00 1.12 0.00 0.00 29.99 30.83 1k8h n HIS 88 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1k8h n LYS 89 N -4.09 0.92 -0.02 -0.41 4.81 -1.26 -4.09 118.16 114.02 1k8h n LYS 89 Ca 0.09 0.05 -0.13 0.00 -0.87 0.00 0.00 58.31 57.45 1k8h n LYS 89 Cb 0.36 -1.43 -0.10 0.00 0.02 0.00 0.00 35.03 33.88 1k8h n LYS 89 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1k8h h ARG 90 N 0.00 0.00 0.00 1.64 2.47 -1.94 -3.14 114.38 113.42 1k8h h ARG 90 Ca -0.46 -0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.25 1k8h h ARG 90 Cb 1.89 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.21 1k8h h ARG 90 CO -0.02 0.54 -0.00 0.93 0.56 0.00 0.00 179.97 181.97 1k8h h GLU 91 N -0.53 -0.00 -0.02 0.04 5.08 -1.98 -2.58 114.58 114.59 1k8h h GLU 91 Ca 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1k8h h GLU 91 Cb 0.54 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 1k8h h GLU 91 CO 0.00 0.04 -0.45 0.97 -1.00 0.00 0.00 179.01 178.57 1k8h h ILE 92 N -0.05 0.00 -0.48 3.13 2.10 -1.71 -0.35 117.51 120.15 1k8h h ILE 92 Ca -0.00 0.00 0.10 0.00 1.08 0.00 0.00 64.86 66.04 1k8h h ILE 92 Cb 0.04 0.00 -0.09 0.00 -1.09 0.00 0.00 36.82 35.69 1k8h h ILE 92 CO 0.00 0.00 -0.09 -0.03 -1.08 0.00 0.00 178.15 176.95 1k8h h MET 93 N -0.54 0.03 0.14 2.19 4.05 -1.57 0.20 114.93 119.42 1k8h h MET 93 Ca 0.01 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.43 1k8h h MET 93 Cb 0.59 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.38 1k8h h MET 93 CO -0.31 0.02 -0.11 -0.09 0.23 0.00 0.00 176.91 176.65 1k8h h ARG 94 N 0.03 -0.23 -0.29 0.39 9.65 -1.02 -2.07 114.38 120.84 1k8h h ARG 94 Ca 0.23 0.02 0.06 0.00 -1.10 0.00 0.00 59.98 59.19 1k8h h ARG 94 Cb 0.36 0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 28.93 1k8h h ARG 94 CO -0.47 -0.15 -0.11 -0.07 2.80 0.00 0.00 179.97 181.97 1k8h h LEU 95 N -0.24 -0.37 -0.51 3.80 3.38 -1.01 -2.56 115.31 117.81 1k8h h LEU 95 Ca -0.02 0.10 0.10 0.00 0.09 0.00 0.00 57.88 58.15 1k8h h LEU 95 Cb 0.20 0.22 -0.10 0.00 0.09 0.00 0.00 40.66 41.07 1k8h h LEU 95 CO 0.01 -0.14 -0.13 0.22 0.09 0.00 0.00 178.44 178.49 1k8h h TYR 96 N -0.05 -0.27 0.49 1.13 3.20 -0.99 0.06 116.97 120.55 1k8h h TYR 96 Ca 0.15 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 1k8h h TYR 96 Cb 0.27 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 1k8h h TYR 96 CO -0.31 -0.22 -0.38 0.78 -1.64 0.00 0.00 178.16 176.39 1k8h h GLY 97 N 0.00 -0.96 0.88 1.82 0.00 -0.97 -1.77 103.07 102.07 1k8h h GLY 97 Ca 0.24 0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.98 1k8h h GLY 97 CO -0.52 -0.33 -0.38 0.50 0.00 0.00 0.00 176.54 175.80 1k8h h LYS 98 N -0.86 -0.93 0.00 4.80 6.56 -1.19 -1.40 116.57 123.56 1k8h h LYS 98 Ca -0.05 0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 1k8h h LYS 98 Cb 0.73 0.21 0.00 0.00 -0.57 0.00 0.00 32.23 32.60 1k8h h LYS 98 CO -0.00 -0.62 0.00 0.28 -2.06 0.00 0.00 179.45 177.05 1k8h n VAL 99 N -5.52 0.00 0.24 0.50 0.31 -0.02 -1.90 118.33 111.94 1k8h n VAL 99 Ca -0.13 1.47 -0.09 0.00 -0.01 0.00 0.00 64.34 65.58 1k8h n VAL 99 Cb 0.41 -2.31 -0.05 0.00 -0.91 0.00 0.00 33.84 30.98 1k8h n VAL 99 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1k8h h GLN 100 N 0.00 -0.59 0.01 5.55 -0.00 -1.43 1.05 115.11 119.69 1k8h h GLN 100 Ca 0.00 0.04 0.02 0.00 -0.00 0.00 0.00 58.65 58.71 1k8h h GLN 100 Cb 0.00 0.13 -0.04 0.00 0.00 0.00 0.00 27.48 27.57 1k8h h GLN 100 CO 0.00 -0.39 -0.41 1.49 0.00 0.00 0.00 178.83 179.52 1k8h h GLU 101 N -0.61 -0.50 -0.56 1.69 4.81 -1.35 -2.77 114.58 115.28 1k8h h GLU 101 Ca -0.06 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.32 1k8h h GLU 101 Cb 0.47 0.11 -0.10 0.00 0.63 0.00 0.00 28.75 29.86 1k8h h GLU 101 CO 0.09 -0.34 -0.11 -0.22 -0.73 0.00 0.00 179.01 177.71 1k8h h LYS 102 N -0.52 0.02 0.00 1.92 3.11 -1.37 -3.45 116.57 116.28 1k8h h LYS 102 Ca 0.01 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 1k8h h LYS 102 Cb 0.56 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.78 1k8h h LYS 102 CO -0.27 0.01 0.00 0.41 -2.81 0.00 0.00 179.45 176.79 1k8h n GLY 103 N -1.38 -0.63 3.22 5.01 0.00 -1.03 -5.10 105.19 105.29 1k8h n GLY 103 Ca 0.06 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 1k8h n GLY 103 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k8h s TYR 104 N 0.00 1.28 0.16 1.61 2.02 0.36 -4.16 117.35 118.62 1k8h s TYR 104 Ca 0.00 -1.42 0.04 0.00 -0.37 0.00 0.00 57.07 55.32 1k8h s TYR 104 Cb 0.00 -0.61 -0.05 0.00 -0.40 0.00 0.00 41.96 40.91 1k8h s TYR 104 CO 0.00 -0.66 -0.08 -0.08 -1.57 0.00 0.00 175.55 173.15 1k8h s THR 105 N -4.01 1.12 -0.12 -0.71 -1.32 -0.54 -4.16 115.64 105.89 1k8h s THR 105 Ca 0.39 -2.05 0.03 0.00 -1.21 0.00 0.00 61.69 58.85 1k8h s THR 105 Cb 0.06 -1.92 0.01 0.00 -1.51 0.00 0.00 72.50 69.14 1k8h s THR 105 CO 0.15 -0.68 -0.22 -0.63 -2.21 0.00 0.00 174.62 171.02 1k8h s ILE 106 N -3.36 2.04 0.06 5.08 1.01 -1.26 -2.52 121.20 122.24 1k8h s ILE 106 Ca 0.18 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.89 1k8h s ILE 106 Cb 0.03 -1.78 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 1k8h s ILE 106 CO 0.02 0.55 -0.12 0.27 0.00 0.00 0.00 174.94 175.66 1k8h s ILE 107 N 0.64 0.90 0.43 2.92 -5.25 -1.11 -3.67 121.20 116.06 1k8h s ILE 107 Ca -0.12 -1.17 -0.16 0.00 -0.99 0.00 0.00 60.65 58.22 1k8h s ILE 107 Cb -0.16 -0.89 -0.09 0.00 2.95 0.00 0.00 42.46 44.27 1k8h s ILE 107 CO 0.02 -0.25 0.87 -2.16 -1.79 0.00 0.00 174.94 171.64 1k8h s PRO 108 N -1.58 3.99 0.00 0.37 0.04 -1.26 -1.82 135.00 134.73 1k8h s PRO 108 Ca -0.04 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.81 1k8h s PRO 108 Cb -0.10 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1k8h s PRO 108 CO 0.01 -0.06 0.00 -0.11 0.04 0.00 0.00 177.00 176.88 1k8h n LEU 109 N -1.01 0.00 -4.08 -3.56 7.94 -0.84 -4.81 117.00 110.64 1k8h n LEU 109 Ca 0.05 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.66 1k8h n LEU 109 Cb 0.54 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 44.32 1k8h n LEU 109 CO 0.43 0.00 -0.50 -0.75 -1.11 0.00 0.00 177.39 175.46 1k8h s LYS 110 N 0.73 2.38 -0.12 1.96 2.20 -1.22 -2.79 119.74 122.88 1k8h s LYS 110 Ca 0.00 -0.62 0.02 0.00 -0.36 0.00 0.00 55.97 55.01 1k8h s LYS 110 Cb 0.00 -2.01 0.02 0.00 -1.51 0.00 0.00 37.83 34.33 1k8h s LYS 110 CO 0.00 -0.06 -0.16 -0.48 -0.36 0.00 0.00 175.35 174.29 1k8h s LEU 111 N 0.98 1.77 0.07 5.43 0.05 -0.98 -2.78 118.68 123.22 1k8h s LEU 111 Ca -0.06 -0.46 0.03 0.00 0.05 0.00 0.00 54.13 53.69 1k8h s LEU 111 Cb -0.15 -1.15 -0.03 0.00 -2.05 0.00 0.00 46.19 42.81 1k8h s LEU 111 CO -0.02 0.01 -0.10 -0.72 -0.55 0.00 0.00 176.35 174.97 1k8h s TYR 112 N 1.03 0.93 -0.19 3.48 1.13 -1.00 -1.59 117.35 121.15 1k8h s TYR 112 Ca -0.05 -0.58 -0.04 0.00 -1.41 0.00 0.00 57.07 54.99 1k8h s TYR 112 Cb -0.15 -0.53 -0.02 0.00 -1.10 0.00 0.00 41.96 40.17 1k8h s TYR 112 CO -0.03 -0.03 -0.04 1.67 -2.51 0.00 0.00 175.55 174.61 1k8h s TRP 113 N -1.91 2.98 0.10 -3.49 -2.14 -0.96 -1.71 118.94 111.82 1k8h s TRP 113 Ca -0.01 -0.64 0.07 0.00 2.66 0.00 0.00 56.10 58.17 1k8h s TRP 113 Cb -0.06 -2.05 -0.04 0.00 -3.10 0.00 0.00 33.47 28.22 1k8h s TRP 113 CO 0.00 -0.33 -0.11 0.21 -2.66 0.00 0.00 176.95 174.06 1k8h s LYS 114 N 1.04 2.10 0.00 3.25 2.20 -0.47 -3.50 119.74 124.35 1k8h s LYS 114 Ca 0.01 -1.03 0.00 0.00 -0.36 0.00 0.00 55.97 54.59 1k8h s LYS 114 Cb -0.15 -2.29 0.00 0.00 -1.51 0.00 0.00 37.83 33.89 1k8h s LYS 114 CO 0.01 0.51 0.00 -1.71 -0.36 0.00 0.00 175.35 173.79 1k8h n ASN 115 N 0.75 0.00 0.00 1.43 5.15 -1.26 -2.64 115.26 118.69 1k8h n ASN 115 Ca -0.14 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.84 1k8h n ASN 115 Cb 0.52 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.77 1k8h n ASN 115 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1k8h n ASN 116 N 2.36 0.00 -4.23 1.20 5.15 -1.26 -5.17 115.26 113.31 1k8h n ASN 116 Ca 0.00 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.85 1k8h n ASN 116 Cb 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.15 1k8h n ASN 116 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1k8h s LYS 117 N 0.00 1.06 0.10 1.20 3.01 -1.08 -4.99 119.74 119.04 1k8h s LYS 117 Ca 0.00 -1.50 -0.11 0.00 -1.01 0.00 0.00 55.97 53.35 1k8h s LYS 117 Cb 0.00 -0.25 -0.06 0.00 -1.01 0.00 0.00 37.83 36.51 1k8h s LYS 117 CO 0.00 -0.11 0.45 0.14 0.51 0.00 0.00 175.35 176.33 1k8h s VAL 118 N -3.66 5.02 -0.11 3.17 -7.23 -1.17 -1.37 120.40 115.05 1k8h s VAL 118 Ca 0.22 0.55 0.01 0.00 -1.81 0.00 0.00 61.98 60.96 1k8h s VAL 118 Cb 0.06 -3.67 0.02 0.00 0.56 0.00 0.00 36.38 33.35 1k8h s VAL 118 CO 0.02 0.26 -0.14 -0.75 -0.31 0.00 0.00 175.10 174.18 1k8h s LYS 119 N -1.96 2.14 -0.19 4.82 2.47 -0.69 -0.61 119.74 125.71 1k8h s LYS 119 Ca 0.35 -0.52 -0.04 0.00 -1.56 0.00 0.00 55.97 54.19 1k8h s LYS 119 Cb -0.14 -1.87 -0.02 0.00 -1.46 0.00 0.00 37.83 34.34 1k8h s LYS 119 CO 0.19 -0.11 -0.02 0.08 0.16 0.00 0.00 175.35 175.65 1k8h s VAL 120 N 1.12 3.82 -0.23 4.02 1.01 -0.48 -2.36 120.40 127.31 1k8h s VAL 120 Ca -0.04 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 1k8h s VAL 120 Cb -0.14 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1k8h s VAL 120 CO -0.04 0.44 0.10 -0.22 0.00 0.00 0.00 175.10 175.38 1k8h s LEU 121 N 0.96 3.78 0.13 3.92 2.96 -1.12 -2.71 118.68 126.61 1k8h s LEU 121 Ca 0.01 -0.01 0.10 0.00 -0.22 0.00 0.00 54.13 54.01 1k8h s LEU 121 Cb -0.14 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 1k8h s LEU 121 CO 0.01 0.06 -0.21 0.27 -1.32 0.00 0.00 176.35 175.17 1k8h s ILE 122 N 1.05 2.64 -0.05 6.68 -4.36 -1.06 -1.98 121.20 124.11 1k8h s ILE 122 Ca 0.05 -1.65 0.05 0.00 -0.26 0.00 0.00 60.65 58.84 1k8h s ILE 122 Cb -0.14 -2.21 -0.02 0.00 1.25 0.00 0.00 42.46 41.34 1k8h s ILE 122 CO 0.04 0.06 -0.19 0.00 0.24 0.00 0.00 174.94 175.09 1k8h s ALA 123 N -1.21 2.46 -0.21 2.27 0.00 -0.76 -1.72 121.76 122.60 1k8h s ALA 123 Ca 0.17 -1.02 -0.08 0.00 0.00 0.00 0.00 51.96 51.03 1k8h s ALA 123 Cb -0.10 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 1k8h s ALA 123 CO 0.09 0.51 0.09 -0.51 0.00 0.00 0.00 175.76 175.94 1k8h s LEU 124 N -0.54 3.85 0.33 0.00 1.43 -0.23 -2.74 118.68 120.78 1k8h s LEU 124 Ca 0.07 0.05 0.05 0.00 -1.03 0.00 0.00 54.13 53.27 1k8h s LEU 124 Cb -0.11 -2.00 -0.06 0.00 0.03 0.00 0.00 46.19 44.04 1k8h s LEU 124 CO 0.01 0.11 0.02 0.00 0.23 0.00 0.00 176.35 176.72 1k8h s ALA 125 N 0.77 2.47 0.29 4.21 0.00 -1.05 -0.28 121.76 128.18 1k8h s ALA 125 Ca 0.05 -2.06 0.02 0.00 0.00 0.00 0.00 51.96 49.97 1k8h s ALA 125 Cb -0.13 0.47 -0.03 0.00 0.00 0.00 0.00 23.12 23.43 1k8h s ALA 125 CO 0.02 -0.22 0.46 0.21 0.00 0.00 0.00 175.76 176.23 1k8h s LYS 126 N -3.82 3.47 -0.60 0.00 2.20 -1.06 -1.47 119.74 118.45 1k8h s LYS 126 Ca 0.34 -0.50 -0.23 0.00 -0.36 0.00 0.00 55.97 55.22 1k8h s LYS 126 Cb 0.08 -2.77 0.05 0.00 -1.51 0.00 0.00 37.83 33.69 1k8h s LYS 126 CO 0.15 0.28 0.94 0.20 -0.36 0.00 0.00 175.35 176.56 1k8h s GLY 127 N -3.95 1.40 -0.84 5.54 0.00 -1.26 -4.51 107.32 103.70 1k8h s GLY 127 Ca 0.37 -1.51 -0.17 0.00 0.00 0.00 0.00 44.72 43.42 1k8h s GLY 127 CO 0.33 2.04 0.91 1.25 0.00 0.00 0.00 173.10 177.63 1k8h s LYS 128 N 3.98 3.53 -0.08 2.90 2.36 -1.26 -4.81 119.74 126.35 1k8h s LYS 128 Ca 0.26 -2.02 0.06 0.00 -2.55 0.00 0.00 55.97 51.73 1k8h s LYS 128 Cb -0.14 -4.62 -0.24 0.00 -1.05 0.00 0.00 37.83 31.78 1k8h s LYS 128 CO 0.15 -1.53 0.51 1.17 1.55 0.00 0.00 175.35 177.20 1k8h n LYS 129 N 5.38 0.68 -2.25 4.03 4.81 -1.26 -4.82 118.16 124.73 1k8h n LYS 129 Ca 0.15 0.27 -0.43 0.00 -0.87 0.00 0.00 58.31 57.43 1k8h n LYS 129 Cb 0.47 -1.74 -0.02 0.00 0.02 0.00 0.00 35.03 33.76 1k8h n LYS 129 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1k8h s LEU 130 N -6.40 3.56 0.26 3.14 1.98 -1.26 -4.40 118.68 115.56 1k8h s LEU 130 Ca -0.12 0.96 0.00 0.00 -2.89 0.00 0.00 54.13 52.08 1k8h s LEU 130 Cb 0.07 -3.54 0.00 0.00 0.66 0.00 0.00 46.19 43.39 1k8h s LEU 130 CO 0.80 -1.51 0.00 0.00 -1.89 0.00 0.00 176.35 173.75 1k8h n TYR 131 N 9.23 -3.71 -3.43 5.38 4.19 -1.26 -5.11 117.16 122.44 1k8h n TYR 131 Ca 0.18 0.91 -0.38 0.00 3.31 0.00 0.00 57.90 61.92 1k8h n TYR 131 Cb 0.48 2.48 -0.09 0.00 0.49 0.00 0.00 39.34 42.70 1k8h n TYR 131 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 1k8h s ASP 132 N -1.96 6.29 0.00 2.98 2.15 -1.26 -5.32 116.67 119.55 1k8h s ASP 132 Ca 0.00 0.33 0.00 0.00 0.43 0.00 0.00 52.55 53.31 1k8h s ASP 132 Cb 0.00 -2.20 0.00 0.00 -0.30 0.00 0.00 42.92 40.42 1k8h s ASP 132 CO 0.00 -0.11 0.00 -1.14 -0.17 0.00 0.00 175.17 173.75