#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q5y n GLY 52 N 0.00 -1.05 3.57 1.69 0.00 -0.51 -0.09 105.19 108.80 1q5y n GLY 52 Ca 0.00 -0.94 -0.26 0.00 0.00 0.00 0.00 46.02 44.82 1q5y n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1q5y s PHE 53 N -3.00 2.44 0.07 1.61 0.08 -0.43 -0.92 117.98 117.84 1q5y s PHE 53 Ca 0.00 -0.53 -0.17 0.00 0.12 0.00 0.00 56.93 56.35 1q5y s PHE 53 Cb 0.00 -1.48 0.04 0.00 -0.57 0.00 0.00 43.02 41.00 1q5y s PHE 53 CO 0.00 0.54 0.41 0.00 -0.10 0.00 0.00 175.22 176.07 1q5y s ALA 54 N -2.62 -0.99 -0.24 5.36 0.00 -0.22 -0.29 121.76 122.76 1q5y s ALA 54 Ca 0.33 0.20 -0.02 0.00 0.00 0.00 0.00 51.96 52.47 1q5y s ALA 54 Cb 0.04 0.46 0.02 0.00 0.00 0.00 0.00 23.12 23.64 1q5y s ALA 54 CO 0.17 -0.52 -0.08 0.08 0.00 0.00 0.00 175.76 175.42 1q5y s VAL 55 N -2.91 2.83 -0.24 0.00 1.01 0.11 -0.60 120.40 120.60 1q5y s VAL 55 Ca -0.03 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 60.93 1q5y s VAL 55 Cb 0.00 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 1q5y s VAL 55 CO -0.06 0.27 0.06 -0.22 0.00 0.00 0.00 175.10 175.15 1q5y s LEU 56 N 1.34 3.39 0.12 3.92 2.96 0.11 -0.91 118.68 129.60 1q5y s LEU 56 Ca 0.01 -0.22 0.07 0.00 -0.22 0.00 0.00 54.13 53.78 1q5y s LEU 56 Cb -0.16 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 1q5y s LEU 56 CO -0.05 -0.03 -0.18 -0.94 -1.32 0.00 0.00 176.35 173.83 1q5y s SER 57 N 1.56 2.33 0.01 3.68 1.04 0.08 -0.30 113.70 122.10 1q5y s SER 57 Ca 0.06 -0.75 -0.29 0.00 0.48 0.00 0.00 55.95 55.46 1q5y s SER 57 Cb -0.15 -0.12 0.10 0.00 0.10 0.00 0.00 66.02 65.95 1q5y s SER 57 CO 0.03 -0.03 1.00 -0.72 0.98 0.00 0.00 173.24 174.50 1q5y s TYR 58 N -1.61 -0.22 -0.02 5.02 -0.85 -0.66 -0.71 117.35 118.32 1q5y s TYR 58 Ca 0.08 0.05 0.07 0.00 -0.52 0.00 0.00 57.07 56.75 1q5y s TYR 58 Cb -0.08 0.57 -0.02 0.00 0.38 0.00 0.00 41.96 42.81 1q5y s TYR 58 CO 0.04 -0.55 -0.23 0.08 -1.52 0.00 0.00 175.55 173.37 1q5y s VAL 59 N -2.99 1.83 0.15 -3.49 1.01 0.12 -1.02 120.40 116.01 1q5y s VAL 59 Ca 0.09 -1.00 -0.15 0.00 0.00 0.00 0.00 61.98 60.92 1q5y s VAL 59 Cb -0.00 -1.52 0.02 0.00 0.00 0.00 0.00 36.38 34.88 1q5y s VAL 59 CO -0.05 0.51 0.40 -0.72 0.00 0.00 0.00 175.10 175.24 1q5y s TYR 60 N -0.55 -0.04 -0.31 5.22 1.13 -0.50 -0.64 117.35 121.66 1q5y s TYR 60 Ca 0.09 -0.30 -0.22 0.00 -1.41 0.00 0.00 57.07 55.23 1q5y s TYR 60 Cb -0.09 0.22 -0.00 0.00 -1.10 0.00 0.00 41.96 40.98 1q5y s TYR 60 CO -0.01 -0.76 0.70 -1.21 -2.51 0.00 0.00 175.55 171.76 1q5y s GLU 61 N -3.86 3.92 0.50 -3.49 2.02 -1.26 -0.26 118.70 116.27 1q5y s GLU 61 Ca 0.07 0.42 0.29 0.00 0.02 0.00 0.00 54.97 55.77 1q5y s GLU 61 Cb 0.01 -3.73 1.10 0.00 0.10 0.00 0.00 34.13 31.61 1q5y s GLU 61 CO -0.07 -0.62 1.89 1.12 0.02 0.00 0.00 175.26 177.60 1q5y h HIS 62 N 8.16 0.00 0.00 1.61 2.07 -1.86 -2.10 115.15 123.03 1q5y h HIS 62 Ca -0.26 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.26 1q5y h HIS 62 Cb 1.11 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.09 1q5y h HIS 62 CO 0.77 0.10 0.00 0.39 -3.07 0.00 0.00 177.93 176.11 1q5y n GLU 63 N -3.22 0.06 -2.28 5.12 4.71 -1.26 -4.50 120.64 119.26 1q5y n GLU 63 Ca 0.01 0.15 -0.38 0.00 -0.01 0.00 0.00 57.16 56.92 1q5y n GLU 63 Cb 0.38 -1.58 -0.03 0.00 -1.01 0.00 0.00 31.44 29.19 1q5y n GLU 63 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 1q5y s LYS 64 N -3.05 2.93 0.16 3.49 1.02 -0.79 -4.83 119.74 118.67 1q5y s LYS 64 Ca 0.10 -0.03 -0.13 0.00 0.02 0.00 0.00 55.97 55.93 1q5y s LYS 64 Cb 0.14 -4.53 0.04 0.00 -0.52 0.00 0.00 37.83 32.97 1q5y s LYS 64 CO 0.45 -2.55 1.71 0.00 -0.92 0.00 0.00 175.35 174.04 1q5y h ARG 65 N 12.08 0.78 -0.44 1.68 2.47 -1.87 0.48 114.38 129.56 1q5y h ARG 65 Ca -0.16 -0.14 -0.14 0.00 -1.26 0.00 0.00 59.98 58.28 1q5y h ARG 65 Cb 1.08 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 29.26 1q5y h ARG 65 CO 1.27 0.68 -0.29 0.22 0.56 0.00 0.00 179.97 182.41 1q5y h ASP 66 N 0.70 1.00 0.32 7.04 3.58 -1.95 -1.50 116.42 125.61 1q5y h ASP 66 Ca 0.17 -0.41 0.00 0.00 0.42 0.00 0.00 57.03 57.21 1q5y h ASP 66 Cb 0.19 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 40.93 1q5y h ASP 66 CO -0.01 1.21 -0.40 0.25 -2.88 0.00 0.00 179.24 177.41 1q5y h LEU 67 N 0.81 -1.11 -0.96 2.28 5.85 -1.81 -1.50 115.31 118.88 1q5y h LEU 67 Ca 0.09 0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.99 1q5y h LEU 67 Cb 0.87 0.38 -0.07 0.00 0.37 0.00 0.00 40.66 42.21 1q5y h LEU 67 CO 0.08 -0.53 0.61 0.00 -0.34 0.00 0.00 178.44 178.26 1q5y h ALA 68 N -0.35 1.35 -0.11 1.25 0.00 -0.83 -0.67 119.26 119.91 1q5y h ALA 68 Ca -0.02 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1q5y h ALA 68 Cb 0.71 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1q5y h ALA 68 CO -0.11 0.35 0.02 0.77 0.00 0.00 0.00 179.25 180.28 1q5y h SER 69 N 1.08 0.01 -0.34 0.00 0.02 -1.00 -2.49 113.55 110.83 1q5y h SER 69 Ca 0.43 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 61.29 1q5y h SER 69 Cb 0.23 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1q5y h SER 69 CO -0.19 0.02 -0.17 0.03 -1.14 0.00 0.00 176.83 175.39 1q5y h ARG 70 N 0.07 0.80 0.03 3.45 3.08 -0.65 0.94 114.38 122.09 1q5y h ARG 70 Ca 0.05 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 59.80 1q5y h ARG 70 Cb 0.04 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1q5y h ARG 70 CO -0.06 0.91 -0.01 0.82 -1.07 0.00 0.00 179.97 180.56 1q5y h ILE 71 N 0.71 1.05 -0.17 2.04 2.04 -0.97 0.94 117.51 123.15 1q5y h ILE 71 Ca 0.11 -0.23 -0.20 0.00 1.00 0.00 0.00 64.86 65.54 1q5y h ILE 71 Cb 0.67 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 1q5y h ILE 71 CO 0.05 0.06 -0.69 1.62 0.00 0.00 0.00 178.15 179.18 1q5y h VAL 72 N -0.14 1.31 -0.47 1.67 3.04 -1.36 -2.60 116.25 117.70 1q5y h VAL 72 Ca -0.00 -1.94 -0.02 0.00 -1.01 0.00 0.00 66.70 63.73 1q5y h VAL 72 Cb 0.12 1.91 -0.02 0.00 -2.01 0.00 0.00 31.29 31.29 1q5y h VAL 72 CO 0.01 0.61 0.22 -1.28 -1.01 0.00 0.00 177.57 176.11 1q5y h SER 73 N 0.49 0.63 -0.77 3.17 0.87 -0.71 0.54 113.55 117.77 1q5y h SER 73 Ca -0.03 -0.14 0.03 0.00 -1.23 0.00 0.00 61.79 60.43 1q5y h SER 73 Cb 1.29 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 63.04 1q5y h SER 73 CO 0.14 0.59 0.49 0.74 -0.53 0.00 0.00 176.83 178.26 1q5y h THR 74 N 0.62 1.11 -0.04 2.23 2.02 -0.83 -0.69 112.91 117.34 1q5y h THR 74 Ca 0.16 -0.33 -0.10 0.00 0.77 0.00 0.00 66.41 66.91 1q5y h THR 74 Cb 0.14 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 1q5y h THR 74 CO -0.02 0.17 -0.46 1.56 0.37 0.00 0.00 175.52 177.15 1q5y h GLN 75 N 0.95 0.10 -0.03 6.66 4.20 -0.98 -2.62 115.11 123.39 1q5y h GLN 75 Ca 0.31 -0.05 -0.17 0.00 0.06 0.00 0.00 58.65 58.80 1q5y h GLN 75 Cb 0.02 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1q5y h GLN 75 CO -0.11 0.54 -0.75 0.45 -0.67 0.00 0.00 178.83 178.28 1q5y h HIS 76 N 0.08 0.28 -0.50 2.96 3.86 -0.40 -1.87 115.15 119.56 1q5y h HIS 76 Ca 0.00 -0.13 0.04 0.00 -1.16 0.00 0.00 60.37 59.12 1q5y h HIS 76 Cb 0.84 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 29.24 1q5y h HIS 76 CO 0.01 0.87 0.33 1.25 0.86 0.00 0.00 177.93 181.25 1q5y h HIS 77 N 0.13 0.51 -1.10 2.45 -0.00 -0.84 -1.42 115.15 114.89 1q5y h HIS 77 Ca -0.03 0.01 -0.63 0.00 -0.00 0.00 0.00 60.37 59.73 1q5y h HIS 77 Cb 1.32 -0.17 -0.36 0.00 -0.00 0.00 0.00 27.41 28.20 1q5y h HIS 77 CO 0.02 0.29 0.03 0.72 -0.00 0.00 0.00 177.93 179.00 1q5y n HIS 78 N -4.47 3.04 0.29 5.26 -0.00 -1.01 -4.74 115.22 113.58 1q5y n HIS 78 Ca 0.06 -2.64 0.15 0.00 -0.00 0.00 0.00 57.72 55.29 1q5y n HIS 78 Cb 0.17 -0.81 0.86 0.00 -0.00 0.00 0.00 29.99 30.21 1q5y n HIS 78 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 1q5y h HIS 79 N 2.27 0.00 0.00 4.41 -0.00 -0.42 0.13 115.15 121.55 1q5y h HIS 79 Ca 0.47 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.84 1q5y h HIS 79 Cb 1.01 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.42 1q5y h HIS 79 CO 1.10 0.06 -0.03 0.38 -0.00 0.00 0.00 177.93 179.44 1q5y h ASP 80 N 0.00 0.00 -0.28 3.10 -0.00 -1.85 -1.37 116.42 116.02 1q5y h ASP 80 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1q5y h ASP 80 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.51 1q5y h ASP 80 CO 0.01 0.03 0.00 0.18 -0.00 0.00 0.00 179.24 179.45 1q5y n LEU 81 N -3.19 2.75 -4.54 0.15 4.77 0.03 -4.86 117.00 112.11 1q5y n LEU 81 Ca -0.01 -1.15 -0.33 0.00 -0.03 0.00 0.00 56.01 54.48 1q5y n LEU 81 Cb 0.21 -0.18 -0.12 0.00 -2.33 0.00 0.00 43.42 41.01 1q5y n LEU 81 CO 0.25 0.58 -0.41 -0.44 -1.33 0.00 0.00 177.39 176.04 1q5y s SER 82 N -1.56 4.37 -0.10 -1.43 0.01 -0.52 -0.92 113.70 113.56 1q5y s SER 82 Ca 0.36 -0.10 -0.09 0.00 1.31 0.00 0.00 55.95 57.43 1q5y s SER 82 Cb 0.21 -1.03 -0.03 0.00 0.21 0.00 0.00 66.02 65.38 1q5y s SER 82 CO 0.30 0.36 -0.17 0.52 0.41 0.00 0.00 173.24 174.65 1q5y n VAL 83 N 2.26 0.84 -3.53 3.43 0.31 0.68 -4.85 118.33 117.47 1q5y n VAL 83 Ca -0.18 0.31 -0.09 0.00 -0.01 0.00 0.00 64.34 64.37 1q5y n VAL 83 Cb 0.53 -1.99 -0.03 0.00 -0.91 0.00 0.00 33.84 31.43 1q5y n VAL 83 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1q5y s ALA 84 N -2.92 -1.86 -0.05 3.52 0.00 -1.21 -5.02 121.76 114.22 1q5y s ALA 84 Ca -0.14 1.19 0.05 0.00 0.00 0.00 0.00 51.96 53.06 1q5y s ALA 84 Cb 0.02 0.11 -0.00 0.00 0.00 0.00 0.00 23.12 23.24 1q5y s ALA 84 CO 0.21 -0.58 -0.18 0.99 0.00 0.00 0.00 175.76 176.19 1q5y s THR 85 N -2.55 1.52 -0.21 0.00 2.01 -1.26 -1.08 115.64 114.08 1q5y s THR 85 Ca 0.03 -0.77 -0.10 0.00 0.31 0.00 0.00 61.69 61.16 1q5y s THR 85 Cb -0.01 -1.31 -0.05 0.00 0.01 0.00 0.00 72.50 71.14 1q5y s THR 85 CO -0.06 0.44 0.14 -0.22 -0.69 0.00 0.00 174.62 174.23 1q5y s LEU 86 N 0.01 4.19 -0.09 4.42 2.96 0.68 -4.93 118.68 125.91 1q5y s LEU 86 Ca -0.04 0.20 0.03 0.00 -0.22 0.00 0.00 54.13 54.10 1q5y s LEU 86 Cb -0.12 -2.09 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 1q5y s LEU 86 CO 0.02 0.15 -0.18 -2.28 -1.32 0.00 0.00 176.35 172.75 1q5y s HIS 87 N 0.53 2.66 -0.09 5.38 5.65 -1.26 -0.74 115.29 127.41 1q5y s HIS 87 Ca 0.08 -0.58 0.02 0.00 0.25 0.00 0.00 55.06 54.83 1q5y s HIS 87 Cb -0.12 -1.71 0.01 0.00 -1.18 0.00 0.00 32.58 29.59 1q5y s HIS 87 CO -0.00 -0.13 -0.15 0.08 -0.65 0.00 0.00 174.74 173.89 1q5y s VAL 88 N -0.07 1.41 -0.84 0.89 1.01 0.20 -5.00 120.40 118.00 1q5y s VAL 88 Ca -0.04 -0.61 -0.24 0.00 0.00 0.00 0.00 61.98 61.09 1q5y s VAL 88 Cb -0.14 -1.29 0.05 0.00 0.00 0.00 0.00 36.38 35.00 1q5y s VAL 88 CO 0.04 0.42 1.28 -1.00 0.00 0.00 0.00 175.10 175.85 1q5y s HIS 89 N 0.86 2.48 0.06 5.22 3.76 -1.26 -0.84 115.29 125.57 1q5y s HIS 89 Ca -0.10 -0.49 -0.14 0.00 -0.15 0.00 0.00 55.06 54.18 1q5y s HIS 89 Cb -0.15 -4.58 -0.26 0.00 1.11 0.00 0.00 32.58 28.69 1q5y s HIS 89 CO 0.01 -1.93 1.14 -0.84 -0.85 0.00 0.00 174.74 172.27 1q5y h ILE 90 N 6.27 1.29 -1.58 0.60 3.07 -1.63 -3.48 117.51 122.05 1q5y h ILE 90 Ca -0.08 -2.43 0.00 0.00 1.55 0.00 0.00 64.86 63.90 1q5y h ILE 90 Cb 1.04 2.61 0.00 0.00 -0.27 0.00 0.00 36.82 40.20 1q5y h ILE 90 CO 1.30 0.74 0.00 -0.46 -1.05 0.00 0.00 178.15 178.69 1q5y n ASN 91 N -3.79 0.00 0.21 2.16 0.23 -1.13 -5.01 115.26 107.93 1q5y n ASN 91 Ca -0.13 -0.58 0.05 0.00 -0.53 0.00 0.00 54.58 53.39 1q5y n ASN 91 Cb 0.96 0.00 0.45 0.00 -2.08 0.00 0.00 39.78 39.11 1q5y n ASN 91 CO 0.00 0.00 0.00 0.45 -0.93 0.00 0.00 177.26 176.78 1q5y h HIS 92 N 0.58 0.00 0.00 -2.53 3.86 -2.04 -3.25 115.15 111.77 1q5y h HIS 92 Ca 0.00 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 58.86 1q5y h HIS 92 Cb 0.00 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.40 1q5y h HIS 92 CO 0.00 0.27 -2.33 -0.25 0.86 0.00 0.00 177.93 176.48 1q5y n ASP 93 N -4.10 0.25 -4.64 2.45 8.00 -1.26 -4.98 116.55 112.26 1q5y n ASP 93 Ca -0.02 -0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.14 1q5y n ASP 93 Cb 0.33 0.96 -0.10 0.00 -0.02 0.00 0.00 41.12 42.29 1q5y n ASP 93 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1q5y s ASP 94 N -5.40 5.00 0.02 -2.24 1.01 -1.23 -2.50 116.67 111.33 1q5y s ASP 94 Ca -0.10 0.06 0.08 0.00 0.71 0.00 0.00 52.55 53.30 1q5y s ASP 94 Cb 0.06 -1.34 -0.03 0.00 1.01 0.00 0.00 42.92 42.62 1q5y s ASP 94 CO 0.79 0.36 -0.22 0.00 0.21 0.00 0.00 175.17 176.31 1q5y s LEU 96 N -1.11 3.60 0.05 0.00 2.96 -0.02 -1.41 118.68 122.74 1q5y s LEU 96 Ca 0.12 -0.06 0.08 0.00 -0.22 0.00 0.00 54.13 54.05 1q5y s LEU 96 Cb -0.10 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 1q5y s LEU 96 CO 0.02 0.08 -0.23 -1.61 -1.32 0.00 0.00 176.35 173.30 1q5y s GLU 97 N 0.90 1.52 -0.20 1.98 2.02 -0.18 -0.63 118.70 124.11 1q5y s GLU 97 Ca 0.03 -1.01 0.00 0.00 0.02 0.00 0.00 54.97 54.02 1q5y s GLU 97 Cb -0.14 -1.67 0.05 0.00 0.10 0.00 0.00 34.13 32.47 1q5y s GLU 97 CO 0.03 0.43 -0.06 0.42 0.02 0.00 0.00 175.26 176.09 1q5y s ILE 98 N -0.81 1.34 -0.19 -1.63 1.01 0.08 -1.64 121.20 119.36 1q5y s ILE 98 Ca 0.09 -0.91 -0.07 0.00 0.00 0.00 0.00 60.65 59.76 1q5y s ILE 98 Cb -0.09 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 1q5y s ILE 98 CO 0.02 0.04 0.05 0.00 0.00 0.00 0.00 174.94 175.05 1q5y s ALA 99 N 1.51 3.30 -0.16 9.38 0.00 0.58 -0.23 121.76 136.15 1q5y s ALA 99 Ca -0.02 -0.83 -0.16 0.00 0.00 0.00 0.00 51.96 50.95 1q5y s ALA 99 Cb -0.17 -1.90 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 1q5y s ALA 99 CO -0.07 0.06 0.41 0.08 0.00 0.00 0.00 175.76 176.23 1q5y s VAL 100 N 0.61 5.22 0.21 0.00 1.01 -0.24 -0.72 120.40 126.48 1q5y s VAL 100 Ca 0.02 0.77 0.09 0.00 0.00 0.00 0.00 61.98 62.87 1q5y s VAL 100 Cb -0.13 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1q5y s VAL 100 CO 0.02 0.31 -0.04 -0.76 0.00 0.00 0.00 175.10 174.62 1q5y s LEU 101 N 0.86 3.13 -0.09 3.92 1.43 0.23 -0.23 118.68 127.93 1q5y s LEU 101 Ca 0.21 -0.55 -0.06 0.00 -1.03 0.00 0.00 54.13 52.70 1q5y s LEU 101 Cb -0.14 -1.75 0.03 0.00 0.03 0.00 0.00 46.19 44.36 1q5y s LEU 101 CO 0.08 0.07 0.22 -0.75 0.23 0.00 0.00 176.35 176.19 1q5y s LYS 102 N -3.12 0.21 0.00 1.70 2.20 -0.10 -1.06 119.74 119.57 1q5y s LYS 102 Ca 0.28 0.41 0.00 0.00 -0.36 0.00 0.00 55.97 56.29 1q5y s LYS 102 Cb -0.08 -0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.21 1q5y s LYS 102 CO 0.18 -0.11 0.00 0.41 -0.36 0.00 0.00 175.35 175.47 1q5y n GLY 103 N 3.70 0.08 3.66 5.54 0.00 -0.10 -4.34 105.19 113.74 1q5y n GLY 103 Ca -0.20 -1.52 -0.46 0.00 0.00 0.00 0.00 46.02 43.84 1q5y n GLY 103 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1q5y n ASP 104 N 1.05 2.85 0.12 1.61 -0.08 -1.26 -1.42 116.55 119.42 1q5y n ASP 104 Ca 0.00 1.11 0.00 0.00 -1.51 0.00 0.00 54.79 54.39 1q5y n ASP 104 Cb 0.00 -1.41 0.30 0.00 2.34 0.00 0.00 41.12 42.35 1q5y n ASP 104 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 1q5y h MET 105 N 5.15 0.20 -0.07 -0.67 2.86 -1.92 0.26 114.93 120.74 1q5y h MET 105 Ca -0.45 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.11 1q5y h MET 105 Cb 1.27 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.91 1q5y h MET 105 CO 0.83 0.49 0.03 0.78 1.06 0.00 0.00 176.91 180.10 1q5y h GLY 106 N 1.04 0.11 1.03 8.32 0.00 -2.00 -1.24 103.07 110.34 1q5y h GLY 106 Ca 0.02 -0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.23 1q5y h GLY 106 CO 0.05 0.06 0.12 -0.55 0.00 0.00 0.00 176.54 176.22 1q5y h ASP 107 N -0.05 0.95 -0.64 0.19 3.32 -1.74 -0.86 116.42 117.60 1q5y h ASP 107 Ca 0.02 -0.25 -0.06 0.00 0.02 0.00 0.00 57.03 56.77 1q5y h ASP 107 Cb 0.17 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 1q5y h ASP 107 CO -0.00 0.96 0.18 0.58 -1.72 0.00 0.00 179.24 179.23 1q5y h VAL 108 N 0.91 1.25 -0.64 -1.35 2.07 -0.47 -0.71 116.25 117.31 1q5y h VAL 108 Ca 0.19 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 1q5y h VAL 108 Cb 0.40 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1q5y h VAL 108 CO 0.01 0.34 0.25 1.56 0.02 0.00 0.00 177.57 179.75 1q5y h GLN 109 N 0.93 0.95 -0.49 1.57 4.20 -1.02 -0.31 115.11 120.94 1q5y h GLN 109 Ca 0.20 -0.17 -0.07 0.00 0.06 0.00 0.00 58.65 58.67 1q5y h GLN 109 Cb 0.33 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1q5y h GLN 109 CO -0.00 0.80 0.05 1.25 -0.67 0.00 0.00 178.83 180.26 1q5y h HIS 110 N 0.89 0.90 -0.42 2.96 2.76 -0.94 0.50 115.15 121.80 1q5y h HIS 110 Ca 0.21 -0.14 -0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1q5y h HIS 110 Cb 0.21 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 28.91 1q5y h HIS 110 CO 0.01 0.83 0.25 0.35 -1.30 0.00 0.00 177.93 178.08 1q5y h PHE 111 N 0.70 0.56 -0.54 5.26 -0.00 -0.94 -1.96 116.94 120.01 1q5y h PHE 111 Ca 0.15 -0.00 -0.05 0.00 -0.00 0.00 0.00 57.97 58.07 1q5y h PHE 111 Cb 0.44 -0.18 -0.03 0.00 -0.00 0.00 0.00 35.95 36.18 1q5y h PHE 111 CO 0.03 0.39 0.15 0.00 -0.00 0.00 0.00 178.31 178.89 1q5y h ALA 112 N 1.11 1.25 -0.56 2.41 0.00 -0.67 -2.02 119.26 120.79 1q5y h ALA 112 Ca 0.15 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1q5y h ALA 112 Cb -0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1q5y h ALA 112 CO -0.03 0.53 0.33 0.38 0.00 0.00 0.00 179.25 180.46 1q5y h ASP 113 N 0.80 0.68 -0.92 0.00 2.03 -0.70 -0.31 116.42 117.99 1q5y h ASP 113 Ca 0.18 -0.06 0.03 0.00 -0.73 0.00 0.00 57.03 56.45 1q5y h ASP 113 Cb 0.26 -0.17 -0.05 0.00 -0.83 0.00 0.00 39.33 38.53 1q5y h ASP 113 CO -0.01 0.54 0.61 0.44 -1.03 0.00 0.00 179.24 179.80 1q5y h ASP 114 N 0.75 1.01 -0.02 4.15 3.32 -0.66 0.67 116.42 125.64 1q5y h ASP 114 Ca 0.20 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 1q5y h ASP 114 Cb -0.00 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.31 1q5y h ASP 114 CO -0.04 0.70 -0.03 0.58 -1.72 0.00 0.00 179.24 178.72 1q5y h VAL 115 N 1.17 1.45 0.00 -1.35 2.07 -0.91 -3.31 116.25 115.37 1q5y h VAL 115 Ca 0.36 -1.37 -0.06 0.00 0.82 0.00 0.00 66.70 66.45 1q5y h VAL 115 Cb -0.00 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1q5y h VAL 115 CO -0.11 0.36 -0.27 0.40 0.02 0.00 0.00 177.57 177.97 1q5y h ILE 116 N -0.50 1.02 0.00 4.57 2.04 -0.77 -2.46 117.51 121.41 1q5y h ILE 116 Ca 0.00 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 64.87 1q5y h ILE 116 Cb 0.61 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1q5y h ILE 116 CO 0.01 0.27 0.00 0.00 0.00 0.00 0.00 178.15 178.42 1q5y n ALA 117 N -2.41 2.27 -1.93 1.87 0.00 0.20 -4.75 120.51 115.76 1q5y n ALA 117 Ca -0.02 -0.10 -0.41 0.00 0.00 0.00 0.00 53.44 52.91 1q5y n ALA 117 Cb 0.34 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 1q5y n ALA 117 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1q5y s GLN 118 N -2.99 4.40 -0.14 0.00 1.03 -0.93 -4.93 119.66 116.11 1q5y s GLN 118 Ca 0.14 2.07 -0.34 0.00 0.04 0.00 0.00 55.36 57.27 1q5y s GLN 118 Cb 0.18 -3.17 -0.11 0.00 0.03 0.00 0.00 33.01 29.94 1q5y s GLN 118 CO 0.50 -0.20 1.94 -2.13 -2.54 0.00 0.00 175.29 172.86 1q5y n ARG 119 N 2.10 1.99 0.00 9.60 0.63 -1.26 -1.92 116.66 127.80 1q5y n ARG 119 Ca 0.04 0.70 0.00 0.00 -0.92 0.00 0.00 57.85 57.67 1q5y n ARG 119 Cb 0.43 -2.65 0.00 0.00 0.45 0.00 0.00 32.46 30.69 1q5y n ARG 119 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1q5y n GLY 120 N 4.76 0.45 3.70 5.14 0.00 -1.26 -4.84 105.19 113.14 1q5y n GLY 120 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 1q5y n GLY 120 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q5y s VAL 121 N -2.00 4.52 0.24 1.61 1.01 -0.81 -4.58 120.40 120.39 1q5y s VAL 121 Ca 0.00 1.81 0.11 0.00 0.00 0.00 0.00 61.98 63.90 1q5y s VAL 121 Cb 0.00 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 1q5y s VAL 121 CO 0.00 0.07 -0.13 -0.13 0.00 0.00 0.00 175.10 174.91 1q5y s ARG 122 N 1.55 1.90 -1.32 2.72 0.52 0.19 -4.72 118.95 119.79 1q5y s ARG 122 Ca 0.53 -1.52 -0.05 0.00 -0.52 0.00 0.00 55.73 54.18 1q5y s ARG 122 Cb -0.23 -1.97 0.03 0.00 0.52 0.00 0.00 34.95 33.29 1q5y s ARG 122 CO 0.24 0.37 0.32 0.72 0.02 0.00 0.00 175.30 176.98 1q5y n HIS 123 N -0.39 -1.65 -2.21 -0.53 8.25 -1.26 -0.70 115.22 116.73 1q5y n HIS 123 Ca -0.08 0.30 -0.41 0.00 -0.26 0.00 0.00 57.72 57.27 1q5y n HIS 123 Cb 0.58 -3.34 -0.03 0.00 1.12 0.00 0.00 29.99 28.32 1q5y n HIS 123 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1q5y s GLY 124 N -2.44 2.70 -0.11 -1.41 0.00 -1.26 -4.24 107.32 100.55 1q5y s GLY 124 Ca 0.22 1.14 -0.08 0.00 0.00 0.00 0.00 44.72 46.00 1q5y s GLY 124 CO 0.27 1.96 0.28 -1.58 0.00 0.00 0.00 173.10 174.03 1q5y s HIS 125 N -0.45 -0.35 -0.14 1.90 2.46 0.11 -4.99 115.29 113.83 1q5y s HIS 125 Ca 0.53 0.83 0.02 0.00 0.47 0.00 0.00 55.06 56.91 1q5y s HIS 125 Cb -0.37 0.11 0.01 0.00 -0.13 0.00 0.00 32.58 32.20 1q5y s HIS 125 CO 0.43 -0.20 -0.19 -1.17 -2.47 0.00 0.00 174.74 171.14 1q5y s LEU 126 N 0.68 1.97 -0.33 8.88 2.96 -1.26 -0.74 118.68 130.83 1q5y s LEU 126 Ca -0.04 -0.55 -0.07 0.00 -0.22 0.00 0.00 54.13 53.25 1q5y s LEU 126 Cb -0.06 -1.33 0.03 0.00 0.50 0.00 0.00 46.19 45.34 1q5y s LEU 126 CO -0.04 0.04 0.11 -1.58 -1.32 0.00 0.00 176.35 173.55 1q5y s GLN 127 N 0.99 2.74 0.02 1.98 0.74 -0.09 -4.96 119.66 121.08 1q5y s GLN 127 Ca -0.04 -1.10 -0.22 0.00 0.05 0.00 0.00 55.36 54.05 1q5y s GLN 127 Cb -0.15 -3.46 -0.05 0.00 1.10 0.00 0.00 33.01 30.45 1q5y s GLN 127 CO -0.04 -0.62 0.65 0.00 -0.55 0.00 0.00 175.29 174.73 1q5y n LEU 129 N 2.70 2.28 -4.75 0.00 4.77 0.60 -4.99 117.00 117.61 1q5y n LEU 129 Ca -0.06 -5.06 -0.35 0.00 -0.03 0.00 0.00 56.01 50.51 1q5y n LEU 129 Cb 0.51 -0.37 0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1q5y n LEU 129 CO 0.45 1.87 0.82 -2.84 -1.33 0.00 0.00 177.39 176.35 1q5y s PRO 130 N -1.38 2.91 0.19 3.23 0.02 -1.26 -1.31 135.00 137.40 1q5y s PRO 130 Ca 0.31 1.75 -0.33 0.00 0.02 0.00 0.00 61.00 62.75 1q5y s PRO 130 Cb 0.03 -1.93 -0.14 0.00 0.02 0.00 0.00 34.50 32.48 1q5y s PRO 130 CO -0.14 -1.24 1.38 1.17 -0.33 0.00 0.00 177.00 177.85 1q5y n LYS 131 N -1.77 1.75 0.00 5.54 4.81 0.87 -4.87 118.16 124.49 1q5y n LYS 131 Ca 0.13 0.63 0.14 0.00 -0.87 0.00 0.00 58.31 58.34 1q5y n LYS 131 Cb 0.50 -2.27 0.51 0.00 0.02 0.00 0.00 35.03 33.79 1q5y n LYS 131 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96