#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ilx s LYS 55 N 0.00 4.78 -0.26 0.00 -0.14 0.67 -4.54 119.74 120.24 3ilx s LYS 55 Ca 0.00 1.61 -0.09 0.00 -1.36 0.00 0.00 55.97 56.12 3ilx s LYS 55 Cb 0.00 -3.25 -0.04 0.00 -1.68 0.00 0.00 37.83 32.86 3ilx s LYS 55 CO 0.00 0.40 0.13 0.08 -0.76 0.00 0.00 175.35 175.20 3ilx s VAL 56 N -1.15 4.86 -0.05 3.17 1.01 -1.26 -0.87 120.40 126.11 3ilx s VAL 56 Ca 0.42 0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.47 3ilx s VAL 56 Cb -0.28 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 3ilx s VAL 56 CO 0.35 0.30 -0.22 -0.63 0.00 0.00 0.00 175.10 174.91 3ilx s ILE 57 N 1.59 2.38 -0.22 2.22 1.01 0.14 -0.02 121.20 128.29 3ilx s ILE 57 Ca 0.07 -0.96 -0.10 0.00 0.00 0.00 0.00 60.65 59.65 3ilx s ILE 57 Cb -0.15 -1.89 -0.05 0.00 0.01 0.00 0.00 42.46 40.38 3ilx s ILE 57 CO 0.07 0.57 0.14 -0.76 0.00 0.00 0.00 174.94 174.97 3ilx s LEU 58 N -0.35 4.12 -0.15 2.97 1.43 -0.37 -0.04 118.68 126.29 3ilx s LEU 58 Ca 0.02 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 3ilx s LEU 58 Cb -0.12 -2.09 -0.00 0.00 0.03 0.00 0.00 46.19 44.00 3ilx s LEU 58 CO 0.02 0.10 -0.15 -0.47 0.23 0.00 0.00 176.35 176.08 3ilx s TYR 59 N 0.82 2.78 -0.01 0.29 5.04 -0.39 -0.24 117.35 125.64 3ilx s TYR 59 Ca 0.07 -0.98 0.03 0.00 -2.44 0.00 0.00 57.07 53.76 3ilx s TYR 59 Cb -0.13 -1.88 -0.01 0.00 0.35 0.00 0.00 41.96 40.30 3ilx s TYR 59 CO 0.02 -0.43 -0.11 0.00 -1.34 0.00 0.00 175.55 173.69 3ilx s ALA 60 N 0.73 0.95 -0.12 3.97 0.00 -0.31 -4.44 121.76 122.56 3ilx s ALA 60 Ca -0.07 -0.47 -0.09 0.00 0.00 0.00 0.00 51.96 51.33 3ilx s ALA 60 Cb -0.15 -0.26 0.03 0.00 0.00 0.00 0.00 23.12 22.74 3ilx s ALA 60 CO 0.01 0.22 0.30 0.50 0.00 0.00 0.00 175.76 176.79 3ilx s ARG 61 N -0.18 0.32 0.10 0.00 3.52 -1.26 -1.83 118.95 119.62 3ilx s ARG 61 Ca 0.03 0.47 0.07 0.00 -0.13 0.00 0.00 55.73 56.16 3ilx s ARG 61 Cb -0.05 0.10 -0.03 0.00 -1.56 0.00 0.00 34.95 33.40 3ilx s ARG 61 CO -0.00 -0.07 -0.17 0.14 -0.81 0.00 0.00 175.30 174.39 3ilx s VAL 62 N 0.48 1.40 0.14 7.11 -7.23 -1.07 -4.99 120.40 116.25 3ilx s VAL 62 Ca -0.03 -1.52 -0.06 0.00 -1.81 0.00 0.00 61.98 58.56 3ilx s VAL 62 Cb -0.04 -1.39 -0.13 0.00 0.56 0.00 0.00 36.38 35.38 3ilx s VAL 62 CO -0.02 -0.22 1.37 0.28 -0.31 0.00 0.00 175.10 176.19 3ilx h SER 63 N 3.97 0.66 -5.03 4.85 0.02 -1.88 0.24 113.55 116.38 3ilx h SER 63 Ca -0.42 -0.44 -0.05 0.00 -0.84 0.00 0.00 61.79 60.04 3ilx h SER 63 Cb 1.19 -0.20 -0.14 0.00 0.14 0.00 0.00 62.40 63.39 3ilx h SER 63 CO 0.43 1.21 0.06 -0.94 -1.14 0.00 0.00 176.83 176.45 3ilx s SER 64 N -7.04 -0.43 -1.00 3.07 1.04 -1.26 -3.64 113.70 104.43 3ilx s SER 64 Ca -0.07 0.03 -0.20 0.00 0.48 0.00 0.00 55.95 56.19 3ilx s SER 64 Cb 0.10 0.52 0.10 0.00 0.10 0.00 0.00 66.02 66.83 3ilx s SER 64 CO 0.87 -0.81 1.32 0.20 0.98 0.00 0.00 173.24 175.79 3ilx s ASN 65 N -2.35 6.61 0.51 7.02 0.01 -1.26 -4.92 114.94 120.56 3ilx s ASN 65 Ca -0.02 -1.87 0.29 0.00 -0.71 0.00 0.00 52.86 50.55 3ilx s ASN 65 Cb -0.00 -2.48 1.29 0.00 0.41 0.00 0.00 41.25 40.46 3ilx s ASN 65 CO -0.07 -1.24 1.97 0.71 -1.51 0.00 0.00 177.10 176.97 3ilx h THR 66 N 6.16 0.39 -3.68 1.60 1.35 -2.02 -3.48 112.91 113.24 3ilx h THR 66 Ca 0.20 -0.73 -0.67 0.00 -0.55 0.00 0.00 66.41 64.66 3ilx h THR 66 Cb 1.00 1.53 -0.25 0.00 -1.73 0.00 0.00 68.15 68.70 3ilx h THR 66 CO 1.27 0.12 -0.76 -0.62 -0.25 0.00 0.00 175.52 175.28 3ilx s ASP 69 N -5.99 4.05 0.12 5.36 2.15 -1.26 -5.08 116.67 116.01 3ilx s ASP 69 Ca -0.01 -0.25 -0.14 0.00 0.43 0.00 0.00 52.55 52.59 3ilx s ASP 69 Cb 0.11 -1.22 -0.06 0.00 -0.30 0.00 0.00 42.92 41.45 3ilx s ASP 69 CO 0.58 0.26 1.46 0.44 -0.17 0.00 0.00 175.17 177.75 3ilx h ASP 70 N 5.99 0.83 0.13 -0.34 3.32 -1.93 -0.40 116.42 124.02 3ilx h ASP 70 Ca -0.37 -0.44 -0.01 0.00 0.02 0.00 0.00 57.03 56.24 3ilx h ASP 70 Cb 1.18 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.50 3ilx h ASP 70 CO 0.53 1.09 -0.06 0.25 -1.72 0.00 0.00 179.24 179.33 3ilx h LEU 71 N 0.57 -0.14 -0.90 1.55 5.85 -1.94 -1.36 115.31 118.94 3ilx h LEU 71 Ca 0.07 -0.36 0.20 0.00 0.84 0.00 0.00 57.88 58.63 3ilx h LEU 71 Cb 0.83 0.04 -0.12 0.00 0.37 0.00 0.00 40.66 41.78 3ilx h LEU 71 CO 0.07 0.32 0.43 0.00 -0.34 0.00 0.00 178.44 178.92 3ilx h ALA 72 N 0.11 1.43 -0.23 1.25 0.00 -1.98 -0.61 119.26 119.24 3ilx h ALA 72 Ca -0.02 0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 3ilx h ALA 72 Cb 0.50 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3ilx h ALA 72 CO 0.03 -0.25 -0.45 -0.91 0.00 0.00 0.00 179.25 177.67 3ilx h ASN 73 N 0.49 0.62 -0.32 0.00 2.35 -0.97 -1.50 115.58 116.25 3ilx h ASN 73 Ca 0.54 -0.29 -0.02 0.00 -0.55 0.00 0.00 56.30 55.98 3ilx h ASN 73 Cb 0.96 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 3ilx h ASN 73 CO -0.47 0.98 0.12 -0.61 -1.65 0.00 0.00 177.43 175.80 3ilx h GLN 74 N 0.46 0.48 -0.59 0.81 4.15 -0.18 -1.76 115.11 118.48 3ilx h GLN 74 Ca 0.03 -0.09 0.05 0.00 0.77 0.00 0.00 58.65 59.41 3ilx h GLN 74 Cb 0.97 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.53 3ilx h GLN 74 CO 0.09 0.49 0.31 0.28 -1.93 0.00 0.00 178.83 178.07 3ilx h VAL 75 N 0.37 0.96 -0.79 2.39 2.07 -0.96 -1.62 116.25 118.66 3ilx h VAL 75 Ca 0.11 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.43 3ilx h VAL 75 Cb 0.20 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 3ilx h VAL 75 CO -0.01 0.11 0.53 0.11 0.02 0.00 0.00 177.57 178.33 3ilx h LYS 76 N 0.59 1.04 -0.19 1.57 1.57 -1.07 -0.06 116.57 120.03 3ilx h LYS 76 Ca 0.26 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 3ilx h LYS 76 Cb 0.17 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3ilx h LYS 76 CO -0.17 0.69 0.03 -0.92 -0.57 0.00 0.00 179.45 178.50 3ilx h TYR 77 N 1.07 0.33 -0.27 -1.35 3.20 -0.96 -0.73 116.97 118.26 3ilx h TYR 77 Ca 0.29 -0.05 0.05 0.00 3.14 0.00 0.00 58.73 62.17 3ilx h TYR 77 Cb -0.11 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.02 3ilx h TYR 77 CO -0.02 0.46 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.86 3ilx h LEU 78 N 0.11 -0.18 -1.33 2.82 3.38 -0.93 -0.77 115.31 118.41 3ilx h LEU 78 Ca 0.06 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 3ilx h LEU 78 Cb 0.31 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3ilx h LEU 78 CO 0.00 -0.06 -0.23 -0.33 0.09 0.00 0.00 178.44 177.92 3ilx h GLU 79 N 0.04 0.00 -0.15 1.13 5.08 -0.85 0.46 114.58 120.29 3ilx h GLU 79 Ca 0.13 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.27 3ilx h GLU 79 Cb 0.19 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.45 3ilx h GLU 79 CO -0.25 0.23 -0.75 1.49 -1.00 0.00 0.00 179.01 178.73 3ilx h GLU 80 N 0.00 0.78 -0.06 2.33 4.22 -0.62 -3.27 114.58 117.97 3ilx h GLU 80 Ca -0.00 -0.63 -0.12 0.00 0.08 0.00 0.00 59.36 58.69 3ilx h GLU 80 Cb 0.65 0.13 0.01 0.00 0.50 0.00 0.00 28.75 30.04 3ilx h GLU 80 CO 0.03 1.24 -0.42 1.96 -2.18 0.00 0.00 179.01 179.64 3ilx h GLN 81 N 0.51 0.38 -4.08 1.92 1.08 -0.57 -3.40 115.11 110.96 3ilx h GLN 81 Ca -0.05 -0.34 -0.69 0.00 -1.45 0.00 0.00 58.65 56.12 3ilx h GLN 81 Cb 1.39 0.08 -0.36 0.00 -0.05 0.00 0.00 27.48 28.54 3ilx h GLN 81 CO 0.16 0.99 -0.50 0.08 -0.95 0.00 0.00 178.83 178.61 3ilx s VAL 82 N -3.51 3.33 0.24 -0.54 1.01 0.16 -4.98 120.40 116.11 3ilx s VAL 82 Ca -0.14 -2.52 0.05 0.00 0.00 0.00 0.00 61.98 59.37 3ilx s VAL 82 Cb 0.04 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 3ilx s VAL 82 CO 0.79 -0.76 1.58 0.11 0.00 0.00 0.00 175.10 176.82 3ilx h LYS 83 N 7.51 0.24 -4.84 2.72 1.57 -1.78 -3.40 116.57 118.59 3ilx h LYS 83 Ca -0.08 -0.16 -0.65 0.00 -1.87 0.00 0.00 60.65 57.89 3ilx h LYS 83 Cb 1.00 0.02 -0.18 0.00 0.08 0.00 0.00 32.23 33.15 3ilx h LYS 83 CO 0.69 0.75 -0.50 -2.00 -0.57 0.00 0.00 179.45 177.82 3ilx s GLU 84 N -3.81 3.78 0.08 3.15 2.56 -1.26 -5.05 118.70 118.15 3ilx s GLU 84 Ca -0.04 -0.43 -0.23 0.00 0.00 0.00 0.00 54.97 54.27 3ilx s GLU 84 Cb 0.12 -3.71 0.06 0.00 2.00 0.00 0.00 34.13 32.59 3ilx s GLU 84 CO 0.79 -0.28 0.54 1.52 -0.56 0.00 0.00 175.26 177.28 3ilx s TYR 85 N 1.76 -0.45 -0.14 5.30 -0.85 -1.26 -4.96 117.35 116.74 3ilx s TYR 85 Ca 0.07 0.42 0.13 0.00 -0.52 0.00 0.00 57.07 57.17 3ilx s TYR 85 Cb -0.17 0.40 -0.18 0.00 0.38 0.00 0.00 41.96 42.40 3ilx s TYR 85 CO 0.11 -0.71 0.05 -0.25 -1.52 0.00 0.00 175.55 173.23 3ilx n ASP 86 N 0.16 1.47 -3.62 -0.18 8.00 0.97 -4.97 116.55 118.37 3ilx n ASP 86 Ca -0.18 -0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.17 3ilx n ASP 86 Cb 0.62 0.85 -0.07 0.00 -0.02 0.00 0.00 41.12 42.49 3ilx n ASP 86 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3ilx s LEU 87 N -5.06 -0.22 -0.15 0.64 2.96 -1.16 -5.02 118.68 110.67 3ilx s LEU 87 Ca -0.07 0.75 0.01 0.00 -0.22 0.00 0.00 54.13 54.60 3ilx s LEU 87 Cb 0.04 2.11 0.02 0.00 0.50 0.00 0.00 46.19 48.87 3ilx s LEU 87 CO 0.59 -0.44 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.32 3ilx s VAL 88 N -0.71 1.70 -0.12 1.68 1.01 -1.26 -1.24 120.40 121.47 3ilx s VAL 88 Ca -0.08 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.18 3ilx s VAL 88 Cb -0.02 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 3ilx s VAL 88 CO 0.06 0.48 -0.13 -0.63 0.00 0.00 0.00 175.10 174.88 3ilx s ILE 89 N 1.28 3.07 0.14 2.22 1.01 0.67 -4.98 121.20 124.61 3ilx s ILE 89 Ca 0.02 -0.67 0.06 0.00 0.00 0.00 0.00 60.65 60.06 3ilx s ILE 89 Cb -0.14 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 3ilx s ILE 89 CO -0.08 0.54 -0.14 0.42 0.00 0.00 0.00 174.94 175.67 3ilx s THR 90 N 0.15 1.41 0.00 2.92 -4.23 -1.26 -1.16 115.64 113.47 3ilx s THR 90 Ca -0.07 -1.82 -0.02 0.00 -1.18 0.00 0.00 61.69 58.60 3ilx s THR 90 Cb -0.15 -1.64 -0.01 0.00 1.34 0.00 0.00 72.50 72.04 3ilx s THR 90 CO 0.05 -0.45 0.04 -1.81 -0.54 0.00 0.00 174.62 171.91 3ilx s ASP 91 N -2.62 0.08 -0.32 3.99 1.01 -0.76 -4.39 116.67 113.66 3ilx s ASP 91 Ca 0.12 -0.21 -0.09 0.00 0.71 0.00 0.00 52.55 53.07 3ilx s ASP 91 Cb -0.04 0.13 0.00 0.00 1.01 0.00 0.00 42.92 44.03 3ilx s ASP 91 CO 0.03 -0.22 0.14 -0.63 0.21 0.00 0.00 175.17 174.71 3ilx s ILE 92 N -0.92 4.42 0.00 0.77 1.01 -1.26 -2.58 121.20 122.63 3ilx s ILE 92 Ca -0.10 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 59.96 3ilx s ILE 92 Cb -0.06 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.10 3ilx s ILE 92 CO -0.00 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.56 3ilx n GLY 93 N 4.95 0.92 3.77 6.18 0.00 0.83 -4.97 105.19 116.86 3ilx n GLY 93 Ca -0.14 -1.22 -0.39 0.00 0.00 0.00 0.00 46.02 44.28 3ilx n GLY 93 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ilx s SER 94 N 0.00 6.49 0.51 1.61 0.15 -1.26 -3.73 113.70 117.46 3ilx s SER 94 Ca 0.00 2.43 0.32 0.00 0.70 0.00 0.00 55.95 59.41 3ilx s SER 94 Cb 0.00 -2.62 1.77 0.00 -1.71 0.00 0.00 66.02 63.45 3ilx s SER 94 CO 0.00 -0.70 1.99 1.23 1.20 0.00 0.00 173.24 176.95 3ilx h GLY 95 N 2.70 0.00 2.00 9.45 0.00 -1.87 -0.42 103.07 114.93 3ilx h GLY 95 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3ilx h GLY 95 CO 0.63 0.00 0.00 1.41 0.00 0.00 0.00 176.54 178.58 3ilx h LEU 96 N 0.00 0.00-10.72 3.11 3.38 -1.92 -3.20 115.31 105.97 3ilx h LEU 96 Ca 0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 3ilx h LEU 96 Cb 0.09 0.00 0.13 0.00 0.09 0.00 0.00 40.66 40.97 3ilx h LEU 96 CO 0.00 0.00 0.42 0.21 0.09 0.00 0.00 178.44 179.16 3ilx s ASN 97 N -5.38 3.85 0.00 -0.43 3.84 -0.17 -5.04 114.94 111.60 3ilx s ASN 97 Ca 0.08 0.54 0.00 0.00 0.21 0.00 0.00 52.86 53.69 3ilx s ASN 97 Cb 0.08 -0.82 0.00 0.00 -0.55 0.00 0.00 41.25 39.96 3ilx s ASN 97 CO 0.61 -2.30 0.00 0.29 -2.79 0.00 0.00 177.10 172.91 3ilx n LYS 99 N -3.53 -0.70 -1.69 0.43 5.02 -1.26 -4.93 118.16 111.49 3ilx n LYS 99 Ca 0.11 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.98 3ilx n LYS 99 Cb 0.60 -0.88 -0.03 0.00 -0.02 0.00 0.00 35.03 34.70 3ilx n LYS 99 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3ilx n ARG 100 N -0.00 2.74 -0.02 1.97 1.74 -1.26 -4.88 116.66 116.95 3ilx n ARG 100 Ca 0.00 0.99 -0.10 0.00 -0.77 0.00 0.00 57.85 57.98 3ilx n ARG 100 Cb 0.00 -2.88 0.05 0.00 -1.02 0.00 0.00 32.46 28.61 3ilx n ARG 100 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3ilx h LYS 101 N 8.17 0.62 0.55 5.56 1.57 -1.94 -0.21 116.57 130.89 3ilx h LYS 101 Ca -0.46 -0.37 -0.03 0.00 -1.87 0.00 0.00 60.65 57.92 3ilx h LYS 101 Cb 1.22 0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.57 3ilx h LYS 101 CO 0.95 0.98 -0.27 0.78 -0.57 0.00 0.00 179.45 181.32 3ilx h GLY 102 N 1.00 -0.77 -0.01 3.86 0.00 -1.90 -0.44 103.07 104.80 3ilx h GLY 102 Ca 0.02 0.29 0.13 0.00 0.00 0.00 0.00 47.33 47.76 3ilx h GLY 102 CO 0.10 -0.28 0.05 -2.75 0.00 0.00 0.00 176.54 173.66 3ilx h PHE 103 N -0.91 0.05 -0.46 5.60 3.57 -1.86 0.28 116.94 123.20 3ilx h PHE 103 Ca -0.08 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.39 3ilx h PHE 103 Cb 0.63 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 3ilx h PHE 103 CO -0.01 -0.13 0.00 -0.07 -2.23 0.00 0.00 178.31 175.88 3ilx h LEU 104 N 0.16 0.79 -0.38 0.59 3.38 -0.95 0.07 115.31 118.97 3ilx h LEU 104 Ca 0.33 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 58.05 3ilx h LEU 104 Cb 0.54 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 3ilx h LEU 104 CO -0.50 0.90 0.11 0.50 0.09 0.00 0.00 178.44 179.54 3ilx h LYS 105 N 0.65 0.25 -0.45 1.13 3.64 -0.68 -1.32 116.57 119.78 3ilx h LYS 105 Ca 0.13 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 3ilx h LYS 105 Cb 0.50 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 3ilx h LYS 105 CO 0.02 0.16 0.18 1.25 -2.27 0.00 0.00 179.45 178.80 3ilx h LEU 106 N 0.26 0.62 -0.46 5.20 5.85 -0.63 -2.96 115.31 123.19 3ilx h LEU 106 Ca 0.18 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3ilx h LEU 106 Cb 0.18 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3ilx h LEU 106 CO -0.20 0.62 0.27 0.25 -0.34 0.00 0.00 178.44 179.04 3ilx h LEU 107 N 0.59 0.56 -2.15 2.25 5.85 -0.78 -1.46 115.31 120.17 3ilx h LEU 107 Ca 0.15 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3ilx h LEU 107 Cb 0.19 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3ilx h LEU 107 CO -0.01 0.46 0.00 0.54 -0.34 0.00 0.00 178.44 179.09 3ilx n ARG 108 N -4.71 0.25 0.00 1.25 1.74 -0.52 -1.66 116.66 113.01 3ilx n ARG 108 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 3ilx n ARG 108 Cb 0.06 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 3ilx n ARG 108 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3ilx n ILE 110 N 0.96 0.00 0.28 0.55 5.41 -0.55 -1.81 119.36 124.20 3ilx n ILE 110 Ca 0.00 0.00 0.17 0.00 1.00 0.00 0.00 62.75 63.92 3ilx n ILE 110 Cb 0.12 0.00 0.73 0.00 -0.71 0.00 0.00 39.64 39.79 3ilx n ILE 110 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3ilx h LEU 111 N 0.00 0.00 -2.99 1.39 3.38 -1.59 -1.61 115.31 113.89 3ilx h LEU 111 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ilx h LEU 111 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3ilx h LEU 111 CO 0.00 0.02 0.00 -3.20 0.09 0.00 0.00 178.44 175.35 3ilx n ASN 112 N -3.13 4.67 -3.20 -0.43 5.15 -0.75 -4.94 115.26 112.63 3ilx n ASN 112 Ca 0.00 -2.58 -0.23 0.00 -0.60 0.00 0.00 54.58 51.17 3ilx n ASN 112 Cb 0.29 -0.60 0.02 0.00 -0.53 0.00 0.00 39.78 38.96 3ilx n ASN 112 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3ilx n ASN 113 N 0.80 -5.22 -0.09 1.20 3.02 -0.61 -4.88 115.26 109.48 3ilx n ASN 113 Ca 0.24 -0.35 0.12 0.00 -0.03 0.00 0.00 54.58 54.55 3ilx n ASN 113 Cb 0.93 -4.24 0.16 0.00 -0.61 0.00 0.00 39.78 36.01 3ilx n ASN 113 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ilx n GLU 114 N -3.99 0.25 -5.12 3.52 1.02 -1.26 -4.61 120.64 110.45 3ilx n GLU 114 Ca -0.07 -0.17 -0.32 0.00 -0.02 0.00 0.00 57.16 56.58 3ilx n GLU 114 Cb 0.59 -1.50 -0.17 0.00 -0.02 0.00 0.00 31.44 30.34 3ilx n GLU 114 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3ilx s VAL 115 N -2.87 2.23 -0.14 2.62 1.01 -1.26 -0.24 120.40 121.76 3ilx s VAL 115 Ca 0.13 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 61.21 3ilx s VAL 115 Cb 0.17 -1.87 -0.23 0.00 0.00 0.00 0.00 36.38 34.45 3ilx s VAL 115 CO 0.70 0.55 0.30 -0.24 0.00 0.00 0.00 175.10 176.41 3ilx n SER 116 N 3.55 1.29 -3.68 3.32 2.88 -0.05 -4.18 113.62 116.76 3ilx n SER 116 Ca -0.19 0.17 -0.12 0.00 -1.33 0.00 0.00 58.87 57.41 3ilx n SER 116 Cb 0.53 -0.17 -0.09 0.00 -0.75 0.00 0.00 64.21 63.73 3ilx n SER 116 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 3ilx s ARG 117 N -2.55 0.63 -0.15 -1.46 3.52 -1.17 -1.04 118.95 116.73 3ilx s ARG 117 Ca -0.17 0.87 -0.00 0.00 -0.13 0.00 0.00 55.73 56.30 3ilx s ARG 117 Cb 0.07 0.24 -0.01 0.00 -1.56 0.00 0.00 34.95 33.69 3ilx s ARG 117 CO 0.77 -0.10 -0.14 0.08 -0.81 0.00 0.00 175.30 175.10 3ilx s VAL 118 N 0.71 2.85 -0.08 7.11 1.01 -0.34 -0.69 120.40 130.97 3ilx s VAL 118 Ca -0.03 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.26 3ilx s VAL 118 Cb -0.05 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 3ilx s VAL 118 CO -0.05 0.51 -0.17 -0.63 0.00 0.00 0.00 175.10 174.76 3ilx s ILE 119 N 0.67 2.77 0.03 2.22 1.09 0.94 -0.88 121.20 128.04 3ilx s ILE 119 Ca -0.07 -0.80 0.01 0.00 -1.10 0.00 0.00 60.65 58.69 3ilx s ILE 119 Cb -0.16 -2.10 -0.02 0.00 -1.06 0.00 0.00 42.46 39.12 3ilx s ILE 119 CO 0.02 0.56 -0.05 -0.89 -0.10 0.00 0.00 174.94 174.48 3ilx s THR 120 N -0.13 0.29 0.11 2.92 2.01 -0.35 -1.26 115.64 119.22 3ilx s THR 120 Ca -0.02 -1.01 -0.13 0.00 0.31 0.00 0.00 61.69 60.84 3ilx s THR 120 Cb -0.14 -0.45 -0.13 0.00 0.01 0.00 0.00 72.50 71.80 3ilx s THR 120 CO 0.04 -0.47 1.34 0.00 -0.69 0.00 0.00 174.62 174.84 3ilx h ALA 121 N 4.53 0.36 -2.59 7.40 0.00 -1.85 0.24 119.26 127.35 3ilx h ALA 121 Ca -0.34 -0.55 -0.13 0.00 0.00 0.00 0.00 54.91 53.89 3ilx h ALA 121 Cb 1.20 -0.04 -0.18 0.00 0.00 0.00 0.00 17.79 18.78 3ilx h ALA 121 CO 0.42 0.64 -0.60 0.71 0.00 0.00 0.00 179.25 180.42 3ilx s TYR 122 N -3.93 0.29 0.39 0.00 2.02 -1.26 -1.53 117.35 113.32 3ilx s TYR 122 Ca -0.11 -0.65 0.17 0.00 -0.37 0.00 0.00 57.07 56.12 3ilx s TYR 122 Cb 0.09 -0.21 1.06 0.00 -0.40 0.00 0.00 41.96 42.50 3ilx s TYR 122 CO 0.89 -0.33 1.78 -1.35 -1.57 0.00 0.00 175.55 174.96 3ilx h PRO 123 N 3.74 0.42 -0.58 -1.71 0.11 -1.85 -2.15 132.00 129.99 3ilx h PRO 123 Ca -0.33 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3ilx h PRO 123 Cb 1.18 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3ilx h PRO 123 CO 0.52 0.28 0.00 -0.40 -0.21 0.00 0.00 178.00 178.19 3ilx n ASP 124 N -4.64 3.22 -0.07 -2.05 5.75 -1.26 -4.18 116.55 113.32 3ilx n ASP 124 Ca 0.25 -2.21 -0.15 0.00 -0.01 0.00 0.00 54.79 52.67 3ilx n ASP 124 Cb 0.83 -0.43 -0.05 0.00 -1.03 0.00 0.00 41.12 40.44 3ilx n ASP 124 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 3ilx h ARG 125 N 2.90 0.85 -0.04 0.11 2.47 -1.77 -3.33 114.38 115.57 3ilx h ARG 125 Ca 0.00 -0.57 -0.03 0.00 -1.26 0.00 0.00 59.98 58.12 3ilx h ARG 125 Cb 0.95 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.35 3ilx h ARG 125 CO 0.11 1.20 -0.11 -0.07 0.56 0.00 0.00 179.97 181.66 3ilx h LEU 126 N 0.63 0.16 -7.47 3.04 3.38 -1.79 -3.44 115.31 109.81 3ilx h LEU 126 Ca 0.00 -0.61 -0.05 0.00 0.09 0.00 0.00 57.88 57.31 3ilx h LEU 126 Cb 1.19 -0.05 -0.12 0.00 0.09 0.00 0.00 40.66 41.77 3ilx h LEU 126 CO 0.13 0.74 -0.06 0.68 0.09 0.00 0.00 178.44 180.02 3ilx s VAL 127 N -3.76 0.06 -0.12 1.22 -7.23 -1.25 -4.84 120.40 104.48 3ilx s VAL 127 Ca -0.16 -0.64 0.00 0.00 -1.81 0.00 0.00 61.98 59.38 3ilx s VAL 127 Cb 0.02 -1.27 -0.24 0.00 0.56 0.00 0.00 36.38 35.44 3ilx s VAL 127 CO 0.71 -0.27 0.34 -1.14 -0.31 0.00 0.00 175.10 174.44 3ilx n ARG 128 N -0.25 0.71 -4.21 4.82 3.00 -1.21 -4.41 116.66 115.12 3ilx n ARG 128 Ca -0.14 0.24 -0.18 0.00 -0.00 0.00 0.00 57.85 57.77 3ilx n ARG 128 Cb 0.63 -1.69 -0.11 0.00 0.00 0.00 0.00 32.46 31.29 3ilx n ARG 128 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 3ilx s PHE 129 N -2.56 1.29 0.00 -0.14 0.08 -1.26 -4.88 117.98 110.51 3ilx s PHE 129 Ca -0.19 -0.53 0.00 0.00 0.12 0.00 0.00 56.93 56.33 3ilx s PHE 129 Cb 0.07 -0.70 0.00 0.00 -0.57 0.00 0.00 43.02 41.82 3ilx s PHE 129 CO 0.76 0.09 0.00 0.41 -0.10 0.00 0.00 175.22 176.39 3ilx n GLY 130 N 0.84 0.67 0.41 4.36 0.00 -1.26 -4.94 105.19 105.27 3ilx n GLY 130 Ca -0.18 -0.28 0.24 0.00 0.00 0.00 0.00 46.02 45.80 3ilx n GLY 130 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3ilx h PHE 131 N 0.00 0.69 -0.65 1.61 3.57 -1.89 -0.69 116.94 119.57 3ilx h PHE 131 Ca 0.00 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 3ilx h PHE 131 Cb 0.00 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 3ilx h PHE 131 CO 0.00 0.01 0.20 0.93 -2.23 0.00 0.00 178.31 177.22 3ilx h GLU 132 N 0.36 1.00 -0.38 1.11 3.07 -1.99 -0.57 114.58 117.17 3ilx h GLU 132 Ca 0.64 -0.20 -0.03 0.00 -0.50 0.00 0.00 59.36 59.27 3ilx h GLU 132 Cb 1.65 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 29.40 3ilx h GLU 132 CO -0.35 0.85 0.12 0.82 -1.40 0.00 0.00 179.01 179.05 3ilx h ILE 133 N 0.96 1.22 -0.24 3.13 2.04 -1.53 -1.65 117.51 121.44 3ilx h ILE 133 Ca 0.21 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 3ilx h ILE 133 Cb 0.27 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 3ilx h ILE 133 CO -0.01 0.25 0.00 -0.07 0.00 0.00 0.00 178.15 178.32 3ilx h LEU 134 N 0.47 0.32 -0.88 1.44 3.38 -1.21 -0.56 115.31 118.27 3ilx h LEU 134 Ca 0.12 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 3ilx h LEU 134 Cb 0.27 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3ilx h LEU 134 CO -0.00 0.38 -0.06 -0.33 0.09 0.00 0.00 178.44 178.51 3ilx h GLU 135 N 0.34 0.76 -0.33 1.13 5.08 -0.68 -0.24 114.58 120.64 3ilx h GLU 135 Ca 0.08 -0.23 -0.16 0.00 -1.00 0.00 0.00 59.36 58.05 3ilx h GLU 135 Cb 0.23 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 3ilx h GLU 135 CO 0.01 0.81 -0.42 0.93 -1.00 0.00 0.00 179.01 179.33 3ilx h GLU 136 N 0.70 0.86 0.30 2.33 4.39 -0.48 -2.41 114.58 120.26 3ilx h GLU 136 Ca 0.13 -0.49 -0.01 0.00 0.34 0.00 0.00 59.36 59.33 3ilx h GLU 136 Cb 0.52 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 3ilx h GLU 136 CO 0.03 1.13 -0.18 0.28 -1.16 0.00 0.00 179.01 179.11 3ilx h VAL 137 N 0.65 0.62 -0.26 3.13 2.07 -0.87 -2.27 116.25 119.33 3ilx h VAL 137 Ca 0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.59 3ilx h VAL 137 Cb 1.02 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 3ilx h VAL 137 CO 0.10 0.00 0.05 0.00 0.02 0.00 0.00 177.57 177.74 3ilx h LYS 139 N 0.15 1.14 0.00 0.00 3.64 -1.39 0.27 116.57 120.38 3ilx h LYS 139 Ca 0.12 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3ilx h LYS 139 Cb 0.12 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3ilx h LYS 139 CO -0.15 0.76 -0.02 0.00 -2.27 0.00 0.00 179.45 177.77 3ilx h ALA 140 N 1.39 1.01 -0.05 5.00 0.00 -0.88 -2.99 119.26 122.74 3ilx h ALA 140 Ca 0.38 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 3ilx h ALA 140 Cb 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3ilx h ALA 140 CO -0.13 0.02 -0.29 0.72 0.00 0.00 0.00 179.25 179.57 3ilx n HIS 141 N -3.13 0.17 -3.87 0.00 8.25 0.14 -4.97 115.22 111.82 3ilx n HIS 141 Ca -0.00 -1.34 -0.30 0.00 -0.26 0.00 0.00 57.72 55.81 3ilx n HIS 141 Cb 0.25 -0.25 0.01 0.00 1.12 0.00 0.00 29.99 31.12 3ilx n HIS 141 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3ilx n ASN 142 N -1.19 -4.49 -4.49 0.41 3.02 -0.33 -4.83 115.26 103.37 3ilx n ASN 142 Ca 0.20 -0.75 -0.32 0.00 -0.03 0.00 0.00 54.58 53.68 3ilx n ASN 142 Cb 0.73 -3.61 -0.13 0.00 -0.61 0.00 0.00 39.78 36.16 3ilx n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ilx s GLU 144 N -0.99 3.29 -0.26 0.00 2.12 -0.21 -3.74 118.70 118.91 3ilx s GLU 144 Ca 0.13 -0.51 -0.12 0.00 0.36 0.00 0.00 54.97 54.83 3ilx s GLU 144 Cb -0.11 -2.79 -0.05 0.00 0.26 0.00 0.00 34.13 31.44 3ilx s GLU 144 CO 0.03 0.44 0.23 0.42 -0.54 0.00 0.00 175.26 175.84 3ilx s ILE 145 N -0.19 5.29 -0.19 -3.70 1.01 -1.26 -1.20 121.20 120.97 3ilx s ILE 145 Ca 0.03 0.30 -0.01 0.00 0.00 0.00 0.00 60.65 60.98 3ilx s ILE 145 Cb -0.13 -3.57 0.01 0.00 0.01 0.00 0.00 42.46 38.78 3ilx s ILE 145 CO 0.02 0.27 -0.14 -0.69 0.00 0.00 0.00 174.94 174.40 3ilx s VAL 146 N 1.52 2.54 -0.23 2.92 1.01 -0.06 -4.99 120.40 123.11 3ilx s VAL 146 Ca 0.10 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 3ilx s VAL 146 Cb -0.15 -2.10 -0.00 0.00 0.00 0.00 0.00 36.38 34.12 3ilx s VAL 146 CO 0.08 0.50 -0.03 0.68 0.00 0.00 0.00 175.10 176.33 3ilx s VAL 147 N 1.31 3.40 0.19 2.92 -7.23 -1.26 -1.21 120.40 118.53 3ilx s VAL 147 Ca 0.04 -0.54 -0.09 0.00 -1.81 0.00 0.00 61.98 59.59 3ilx s VAL 147 Cb -0.14 -2.58 0.11 0.00 0.56 0.00 0.00 36.38 34.34 3ilx s VAL 147 CO -0.09 0.38 1.71 -0.07 -0.31 0.00 0.00 175.10 176.73 3ilx h LEU 148 N 8.12 1.05 -8.85 1.32 3.38 -1.00 -3.43 115.31 115.89 3ilx h LEU 148 Ca -0.40 -0.23 -0.69 0.00 0.09 0.00 0.00 57.88 56.65 3ilx h LEU 148 Cb 1.15 -0.28 -0.24 0.00 0.09 0.00 0.00 40.66 41.38 3ilx h LEU 148 CO 0.60 1.00 -0.83 0.20 0.09 0.00 0.00 178.44 179.50 3ilx s ASN 149 N -6.41 3.56 0.10 -0.43 0.01 -0.58 -5.05 114.94 106.14 3ilx s ASN 149 Ca -0.12 -0.45 -0.07 0.00 -0.71 0.00 0.00 52.86 51.51 3ilx s ASN 149 Cb 0.14 -0.52 -0.18 0.00 0.41 0.00 0.00 41.25 41.11 3ilx s ASN 149 CO 0.84 0.28 1.23 1.56 -1.51 0.00 0.00 177.10 179.49 3ilx h GLN 150 N 4.82 0.44 -5.68 -0.60 1.08 -1.87 -3.38 115.11 109.92 3ilx h GLN 150 Ca -0.47 -0.54 -0.64 0.00 -1.45 0.00 0.00 58.65 55.56 3ilx h GLN 150 Cb 1.15 0.17 -0.07 0.00 -0.05 0.00 0.00 27.48 28.67 3ilx h GLN 150 CO 0.47 1.19 -0.39 -1.21 -0.95 0.00 0.00 178.83 177.94 3ilx s GLU 151 N -3.09 3.75 0.51 1.46 0.41 -1.26 -4.72 118.70 115.76 3ilx s GLU 151 Ca -0.06 0.03 -0.22 0.00 -0.41 0.00 0.00 54.97 54.31 3ilx s GLU 151 Cb 0.08 -3.25 -0.07 0.00 -1.78 0.00 0.00 34.13 29.10 3ilx s GLU 151 CO 0.89 0.64 1.10 -0.25 -0.49 0.00 0.00 175.26 177.15 3ilx n ASP 152 N 2.31 1.58 -2.91 -0.19 8.00 -1.26 -4.79 116.55 119.30 3ilx n ASP 152 Ca -0.17 0.95 -0.27 0.00 0.71 0.00 0.00 54.79 56.02 3ilx n ASP 152 Cb 0.54 -1.43 -0.04 0.00 -0.02 0.00 0.00 41.12 40.17 3ilx n ASP 152 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3ilx n LYS 153 N -0.50 3.19 -2.38 -1.24 4.81 -1.26 -5.07 118.16 115.72 3ilx n LYS 153 Ca 0.11 -4.79 -0.42 0.00 -0.87 0.00 0.00 58.31 52.33 3ilx n LYS 153 Cb 0.43 -2.22 -0.03 0.00 0.02 0.00 0.00 35.03 33.23 3ilx n LYS 153 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3ilx s THR 154 N -4.50 4.05 0.54 3.15 2.01 -1.26 -5.00 115.64 114.62 3ilx s THR 154 Ca 0.49 1.41 -0.22 0.00 0.31 0.00 0.00 61.69 63.67 3ilx s THR 154 Cb 0.29 -3.90 -0.05 0.00 0.01 0.00 0.00 72.50 68.85 3ilx s THR 154 CO -0.14 0.01 1.36 -2.84 -0.69 0.00 0.00 174.62 172.32 3ilx s PRO 155 N 2.15 3.19 0.23 4.92 0.02 -1.26 -4.87 135.00 139.38 3ilx s PRO 155 Ca 0.59 2.25 -0.06 0.00 0.02 0.00 0.00 61.00 63.80 3ilx s PRO 155 Cb -0.27 -2.29 0.38 0.00 0.02 0.00 0.00 34.50 32.33 3ilx s PRO 155 CO 0.24 -1.16 1.76 1.49 -0.33 0.00 0.00 177.00 179.01 3ilx h GLU 156 N 1.53 0.54 0.00 5.54 4.81 -2.01 -1.91 114.58 123.09 3ilx h GLU 156 Ca -0.51 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.65 3ilx h GLU 156 Cb 1.30 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 3ilx h GLU 156 CO 0.58 0.36 -0.19 1.05 -0.73 0.00 0.00 179.01 180.07 3ilx h GLU 157 N 0.56 0.00 0.06 1.92 4.11 -1.99 -1.68 114.58 117.56 3ilx h GLU 157 Ca 0.37 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.80 3ilx h GLU 157 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3ilx h GLU 157 CO -0.31 0.19 -0.03 1.49 0.07 0.00 0.00 179.01 180.42 3ilx h GLU 158 N 0.00 -0.08 -0.49 1.06 4.81 -1.71 0.16 114.58 118.34 3ilx h GLU 158 Ca -0.00 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 3ilx h GLU 158 Cb 0.35 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.68 3ilx h GLU 158 CO 0.02 0.23 0.15 -0.07 -0.73 0.00 0.00 179.01 178.62 3ilx h LEU 159 N -0.39 0.12 -0.27 1.64 3.38 -1.20 0.79 115.31 119.38 3ilx h LEU 159 Ca -0.01 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3ilx h LEU 159 Cb 0.35 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3ilx h LEU 159 CO 0.01 0.10 -0.01 0.58 0.09 0.00 0.00 178.44 179.21 3ilx h VAL 160 N 0.31 1.26 -0.26 1.22 2.07 -1.30 0.22 116.25 119.77 3ilx h VAL 160 Ca 0.24 -0.94 0.06 0.00 0.82 0.00 0.00 66.70 66.88 3ilx h VAL 160 Cb 0.27 1.35 -0.07 0.00 -1.52 0.00 0.00 31.29 31.32 3ilx h VAL 160 CO -0.26 0.30 -0.21 -0.08 0.02 0.00 0.00 177.57 177.34 3ilx h GLU 161 N 0.25 -0.19 -0.44 1.57 4.81 -0.72 -0.48 114.58 119.38 3ilx h GLU 161 Ca 0.07 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3ilx h GLU 161 Cb 0.44 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 3ilx h GLU 161 CO 0.02 -0.13 0.24 -0.44 -0.73 0.00 0.00 179.01 177.97 3ilx h ASP 162 N -0.20 0.55 -0.33 1.04 5.19 -0.56 -1.26 116.42 120.85 3ilx h ASP 162 Ca 0.14 -0.09 0.05 0.00 -0.62 0.00 0.00 57.03 56.51 3ilx h ASP 162 Cb 0.42 -0.14 -0.04 0.00 0.18 0.00 0.00 39.33 39.74 3ilx h ASP 162 CO -0.38 0.48 0.06 0.25 -3.12 0.00 0.00 179.24 176.53 3ilx h LEU 163 N 0.57 -0.00 -0.55 1.55 5.85 -0.74 -1.01 115.31 120.97 3ilx h LEU 163 Ca 0.15 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.98 3ilx h LEU 163 Cb 0.06 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 3ilx h LEU 163 CO -0.02 0.03 0.29 0.00 -0.34 0.00 0.00 178.44 178.40 3ilx h ALA 164 N 1.25 0.72 -0.46 1.25 0.00 -0.78 0.15 119.26 121.39 3ilx h ALA 164 Ca 0.16 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.15 3ilx h ALA 164 Cb 0.18 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3ilx h ALA 164 CO -0.21 -0.05 0.17 1.15 0.00 0.00 0.00 179.25 180.31 3ilx h THR 165 N 0.55 0.86 -0.36 0.00 2.02 -0.91 -1.00 112.91 114.07 3ilx h THR 165 Ca 0.25 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.27 3ilx h THR 165 Cb 0.15 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 3ilx h THR 165 CO -0.17 0.06 0.08 0.40 0.37 0.00 0.00 175.52 176.26 3ilx h ILE 166 N 0.35 1.23 -0.57 3.11 2.04 -0.21 -1.58 117.51 121.87 3ilx h ILE 166 Ca 0.22 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 3ilx h ILE 166 Cb 0.21 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 3ilx h ILE 166 CO -0.22 0.27 0.29 -0.07 0.00 0.00 0.00 178.15 178.42 3ilx h LEU 167 N 0.44 0.74 -0.51 1.44 3.38 -0.58 0.10 115.31 120.32 3ilx h LEU 167 Ca 0.11 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.99 3ilx h LEU 167 Cb 0.32 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3ilx h LEU 167 CO 0.00 0.65 0.30 0.58 0.09 0.00 0.00 178.44 180.06 3ilx h VAL 168 N 0.77 1.04 0.05 1.22 2.07 -1.12 0.39 116.25 120.67 3ilx h VAL 168 Ca 0.20 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3ilx h VAL 168 Cb 0.10 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 3ilx h VAL 168 CO -0.03 0.11 -0.21 -1.28 0.02 0.00 0.00 177.57 176.18 3ilx h SER 169 N 0.59 -0.60 -0.83 0.57 0.87 -0.39 -2.35 113.55 111.43 3ilx h SER 169 Ca 0.21 0.08 0.01 0.00 -1.23 0.00 0.00 61.79 60.85 3ilx h SER 169 Cb 0.04 0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 62.19 3ilx h SER 169 CO -0.10 -0.28 0.54 -0.26 -0.53 0.00 0.00 176.83 176.19 3ilx h PHE 170 N -0.36 1.05 -0.43 2.24 0.04 -0.59 -1.95 116.94 116.93 3ilx h PHE 170 Ca 0.04 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.83 3ilx h PHE 170 Cb 0.41 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 38.19 3ilx h PHE 170 CO -0.23 0.67 0.27 0.66 -0.60 0.00 0.00 178.31 179.08 3ilx h SER 171 N 1.12 0.51 -0.35 2.17 4.64 -0.77 0.21 113.55 121.08 3ilx h SER 171 Ca 0.30 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.56 3ilx h SER 171 Cb -0.11 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 61.84 3ilx h SER 171 CO -0.06 0.39 0.06 1.23 -0.87 0.00 0.00 176.83 177.58 3ilx h GLY 172 N 0.62 0.62 1.41 -0.77 0.00 -0.82 0.14 103.07 104.27 3ilx h GLY 172 Ca 0.16 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 3ilx h GLY 172 CO -0.03 0.38 0.06 0.50 0.00 0.00 0.00 176.54 177.45 3ilx h LYS 173 N 0.42 0.74 0.00 4.80 1.57 -0.61 -2.71 116.57 120.78 3ilx h LYS 173 Ca 0.11 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 3ilx h LYS 173 Cb 0.34 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 3ilx h LYS 173 CO 0.01 0.71 -0.52 -0.07 -0.57 0.00 0.00 179.45 179.01 3ilx h LEU 174 N 0.71 0.00 -0.03 2.94 3.38 -0.40 -3.31 115.31 118.60 3ilx h LEU 174 Ca 0.15 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.90 3ilx h LEU 174 Cb 0.34 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.11 3ilx h LEU 174 CO 0.01 0.52 -0.85 -0.74 0.09 0.00 0.00 178.44 177.46 3ilx h HIS 175 N 0.00 0.91 0.00 1.13 2.76 -0.43 -2.20 115.15 117.32 3ilx h HIS 175 Ca -0.01 -0.47 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 3ilx h HIS 175 Cb 1.39 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 30.24 3ilx h HIS 175 CO 0.00 1.30 0.00 0.41 -1.30 0.00 0.00 177.93 178.34 3ilx n GLY 176 N 1.01 0.00 2.67 5.26 0.00 -1.05 -4.62 105.19 108.45 3ilx n GLY 176 Ca -0.10 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.87 3ilx n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ilx n ARG 178 N 0.06 0.36 -2.84 1.61 1.74 -0.88 -5.16 116.66 111.56 3ilx n ARG 178 Ca 0.00 -0.97 -0.38 0.00 -0.77 0.00 0.00 57.85 55.73 3ilx n ARG 178 Cb 0.00 -0.24 -0.06 0.00 -1.02 0.00 0.00 32.46 31.13 3ilx n ARG 178 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3ilx s SER 179 N -0.42 7.37 0.61 0.55 0.15 -0.88 -4.93 113.70 116.14 3ilx s SER 179 Ca 0.17 1.78 0.27 0.00 0.70 0.00 0.00 55.95 58.87 3ilx s SER 179 Cb 0.25 -2.56 1.18 0.00 -1.71 0.00 0.00 66.02 63.18 3ilx s SER 179 CO -0.13 0.02 1.59 -0.61 1.20 0.00 0.00 173.24 175.31 3ilx h GLN 180 N 3.51 0.00 0.00 5.44 4.15 -2.02 -1.83 115.11 124.36 3ilx h GLN 180 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.95 3ilx h GLN 180 Cb 1.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.88 3ilx h GLN 180 CO 0.66 0.00 -0.35 1.63 -1.93 0.00 0.00 178.83 178.84 3ilx n LYS 181 N -3.40 0.18 -0.03 1.69 4.76 -1.26 -4.22 118.16 115.88 3ilx n LYS 181 Ca 0.15 0.09 -0.09 0.00 -2.87 0.00 0.00 58.31 55.59 3ilx n LYS 181 Cb 1.07 -1.65 -0.02 0.00 -1.84 0.00 0.00 35.03 32.59 3ilx n LYS 181 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 3ilx h TYR 182 N 0.00 -0.52 -0.79 2.13 3.20 -1.62 -2.40 116.97 116.98 3ilx h TYR 182 Ca 0.00 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 3ilx h TYR 182 Cb 0.65 0.26 -0.04 0.00 1.54 0.00 0.00 36.73 39.15 3ilx h TYR 182 CO 0.00 -0.28 0.42 0.93 -1.64 0.00 0.00 178.16 177.60 3ilx h GLU 183 N -0.22 1.11 -0.58 1.82 4.39 -1.82 0.13 114.58 119.41 3ilx h GLU 183 Ca 0.12 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3ilx h GLU 183 Cb 0.40 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 3ilx h GLU 183 CO -0.32 0.83 0.36 0.87 -1.16 0.00 0.00 179.01 179.58 3ilx h LYS 184 N 1.10 0.77 -0.44 2.33 1.57 -1.74 0.17 116.57 120.33 3ilx h LYS 184 Ca 0.28 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.86 3ilx h LYS 184 Cb 0.05 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3ilx h LYS 184 CO -0.04 0.54 -0.28 0.28 -0.57 0.00 0.00 179.45 179.38 3ilx h VAL 185 N 0.78 1.27 -0.54 0.50 2.07 -0.99 -0.17 116.25 119.17 3ilx h VAL 185 Ca 0.21 -1.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.28 3ilx h VAL 185 Cb -0.05 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 3ilx h VAL 185 CO -0.04 0.49 0.32 0.50 0.02 0.00 0.00 177.57 178.86 3ilx h LYS 186 N 0.81 0.74 -0.48 1.57 3.64 -0.65 -1.88 116.57 120.31 3ilx h LYS 186 Ca 0.09 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 3ilx h LYS 186 Cb 0.85 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 3ilx h LYS 186 CO 0.08 0.54 0.00 -0.22 -2.27 0.00 0.00 179.45 177.58 3ilx h LYS 187 N 0.72 0.84 -0.71 1.90 3.64 -0.38 -2.51 116.57 120.07 3ilx h LYS 187 Ca 0.19 -0.27 0.12 0.00 -1.27 0.00 0.00 60.65 59.43 3ilx h LYS 187 Cb 0.00 -0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 31.66 3ilx h LYS 187 CO -0.03 0.89 0.29 0.00 -2.27 0.00 0.00 179.45 178.32 3ilx h ALA 189 N 1.50 0.50 0.01 0.00 0.00 -1.04 -2.52 119.26 117.70 3ilx h ALA 189 Ca 0.38 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3ilx h ALA 189 Cb 0.53 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3ilx h ALA 189 CO -0.36 0.19 -0.04 1.49 0.00 0.00 0.00 179.25 180.53 3ilx h GLU 190 N 0.46 -0.08 -0.88 0.00 4.57 -1.02 -2.58 114.58 115.07 3ilx h GLU 190 Ca 0.12 0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.42 3ilx h GLU 190 Cb 0.34 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.88 3ilx h GLU 190 CO 0.00 -0.05 0.57 0.93 -1.18 0.00 0.00 179.01 179.28 3ilx h GLU 191 N -0.08 0.75 0.00 1.92 4.39 -0.96 -0.49 114.58 120.12 3ilx h GLU 191 Ca 0.01 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3ilx h GLU 191 Cb 0.09 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 3ilx h GLU 191 CO -0.04 0.50 0.00 1.28 -1.16 0.00 0.00 179.01 179.59 3ilx n LEU 192 N -4.54 0.67 -0.07 1.33 4.77 -0.96 -2.04 117.00 116.16 3ilx n LEU 192 Ca 0.16 0.70 0.12 0.00 -0.03 0.00 0.00 56.01 56.95 3ilx n LEU 192 Cb 0.39 -0.64 0.16 0.00 -2.33 0.00 0.00 43.42 40.99 3ilx n LEU 192 CO 0.30 -0.67 0.35 0.29 -1.33 0.00 0.00 177.39 176.33 3ilx n LYS 193 N -2.27 0.21 0.00 3.23 5.02 -0.20 -4.98 118.16 119.17 3ilx n LYS 193 Ca 0.01 -0.14 0.14 0.00 -2.02 0.00 0.00 58.31 56.30 3ilx n LYS 193 Cb 0.19 -1.50 0.51 0.00 -0.02 0.00 0.00 35.03 34.21 3ilx n LYS 193 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97