#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q5y s GLN 51 N 0.00 3.36 0.00 -0.78 -1.52 -1.26 -0.32 119.66 119.14 1q5y s GLN 51 Ca 0.00 -0.79 0.00 0.00 -1.95 0.00 0.00 55.36 52.62 1q5y s GLN 51 Cb 0.00 -2.85 0.00 0.00 -0.22 0.00 0.00 33.01 29.94 1q5y s GLN 51 CO 0.00 0.31 0.00 0.41 -0.25 0.00 0.00 175.29 175.76 1q5y n GLY 52 N -1.50 -0.63 3.57 3.09 0.00 0.37 -0.65 105.19 109.43 1q5y n GLY 52 Ca -0.06 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 44.89 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 0.14 1.61 0.08 -0.69 -1.24 117.98 117.33 1q5y s PHE 53 Ca 0.00 -0.46 -0.18 0.00 0.12 0.00 0.00 56.93 56.41 1q5y s PHE 53 Cb 0.00 -1.39 0.04 0.00 -0.57 0.00 0.00 43.02 41.11 1q5y s PHE 53 CO 0.00 0.56 0.45 0.00 -0.10 0.00 0.00 175.22 176.13 1q5y s ALA 54 N -2.57 -1.07 -0.22 5.36 0.00 -0.33 -0.10 121.76 122.83 1q5y s ALA 54 Ca 0.33 0.05 0.02 0.00 0.00 0.00 0.00 51.96 52.36 1q5y s ALA 54 Cb 0.01 0.75 0.04 0.00 0.00 0.00 0.00 23.12 23.92 1q5y s ALA 54 CO 0.17 -0.68 -0.14 0.08 0.00 0.00 0.00 175.76 175.20 1q5y s VAL 55 N -3.80 1.98 -0.28 0.00 1.01 0.25 -0.86 120.40 118.70 1q5y s VAL 55 Ca 0.03 -1.24 -0.08 0.00 0.00 0.00 0.00 61.98 60.69 1q5y s VAL 55 Cb 0.01 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 1q5y s VAL 55 CO -0.12 0.20 0.11 -0.22 0.00 0.00 0.00 175.10 175.07 1q5y s LEU 56 N 1.25 3.74 0.24 3.92 2.96 0.17 -0.72 118.68 130.25 1q5y s LEU 56 Ca -0.02 -0.34 0.11 0.00 -0.22 0.00 0.00 54.13 53.66 1q5y s LEU 56 Cb -0.17 -1.96 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 1q5y s LEU 56 CO -0.08 -0.10 -0.20 -0.94 -1.32 0.00 0.00 176.35 173.70 1q5y s SER 57 N 1.62 3.34 -0.02 3.68 1.04 0.04 -0.04 113.70 123.36 1q5y s SER 57 Ca 0.06 -0.97 -0.30 0.00 0.48 0.00 0.00 55.95 55.22 1q5y s SER 57 Cb -0.16 -0.26 0.11 0.00 0.10 0.00 0.00 66.02 65.81 1q5y s SER 57 CO 0.05 0.03 1.06 -0.72 0.98 0.00 0.00 173.24 174.64 1q5y s TYR 58 N -2.30 -0.19 -0.04 5.02 -0.85 -0.75 -0.95 117.35 117.30 1q5y s TYR 58 Ca 0.25 0.04 0.05 0.00 -0.52 0.00 0.00 57.07 56.90 1q5y s TYR 58 Cb -0.05 0.56 -0.01 0.00 0.38 0.00 0.00 41.96 42.83 1q5y s TYR 58 CO 0.12 -0.46 -0.21 0.08 -1.52 0.00 0.00 175.55 173.56 1q5y s VAL 59 N -2.84 1.67 0.09 -3.49 1.01 0.11 -1.10 120.40 115.85 1q5y s VAL 59 Ca 0.09 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 1q5y s VAL 59 Cb -0.00 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.97 1q5y s VAL 59 CO -0.05 0.47 0.24 -0.72 0.00 0.00 0.00 175.10 175.05 1q5y s TYR 60 N -0.18 0.05 -0.31 5.22 1.13 -0.18 -0.56 117.35 122.51 1q5y s TYR 60 Ca -0.00 -0.41 -0.22 0.00 -1.41 0.00 0.00 57.07 55.03 1q5y s TYR 60 Cb -0.11 0.02 -0.00 0.00 -1.10 0.00 0.00 41.96 40.77 1q5y s TYR 60 CO 0.02 -0.56 0.72 -1.21 -2.51 0.00 0.00 175.55 172.00 1q5y s GLU 61 N -3.61 3.92 0.49 -3.49 2.02 -1.26 -0.48 118.70 116.30 1q5y s GLU 61 Ca 0.03 0.45 0.26 0.00 0.02 0.00 0.00 54.97 55.72 1q5y s GLU 61 Cb 0.03 -3.73 1.24 0.00 0.10 0.00 0.00 34.13 31.77 1q5y s GLU 61 CO -0.10 -0.64 1.98 1.12 0.02 0.00 0.00 175.26 177.64 1q5y h HIS 62 N 8.16 0.00 0.00 1.61 2.07 -1.89 -1.10 115.15 124.00 1q5y h HIS 62 Ca -0.25 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.27 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 0.17 0.00 0.39 -3.07 0.00 0.00 177.93 176.19 1q5y n GLU 63 N -3.57 0.18 -1.89 5.12 4.71 -1.26 -3.80 120.64 120.13 1q5y n GLU 63 Ca -0.01 0.28 -0.36 0.00 -0.01 0.00 0.00 57.16 57.06 1q5y n GLU 63 Cb 0.31 -1.77 -0.00 0.00 -1.01 0.00 0.00 31.44 28.97 1q5y n GLU 63 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 1q5y n LYS 64 N -2.09 3.22 -0.67 3.49 2.85 -0.42 -4.83 118.16 119.72 1q5y n LYS 64 Ca 0.04 -3.28 0.08 0.00 -1.05 0.00 0.00 58.31 54.09 1q5y n LYS 64 Cb 0.31 -2.30 0.33 0.00 -0.65 0.00 0.00 35.03 32.73 1q5y n LYS 64 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1q5y n ARG 65 N 0.25 3.93 -0.32 -1.58 3.00 -1.25 -3.29 116.66 117.39 1q5y n ARG 65 Ca 0.52 -2.99 0.06 0.00 -0.01 0.00 0.00 57.85 55.43 1q5y n ARG 65 Cb 0.34 -2.04 0.25 0.00 0.00 0.00 0.00 32.46 31.01 1q5y n ARG 65 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.63 178.01 1q5y h ASP 66 N 2.99 0.90 -0.58 0.55 2.03 -1.92 -2.34 116.42 118.06 1q5y h ASP 66 Ca 0.00 0.02 0.08 0.00 -0.73 0.00 0.00 57.03 56.40 1q5y h ASP 66 Cb 1.69 -0.17 -0.10 0.00 -0.83 0.00 0.00 39.33 39.93 1q5y h ASP 66 CO 0.35 0.54 -0.49 0.25 -1.03 0.00 0.00 179.24 178.86 1q5y h LEU 67 N 1.00 -1.69 -1.10 0.15 5.85 -1.93 0.39 115.31 117.97 1q5y h LEU 67 Ca 0.43 0.26 -0.00 0.00 0.84 0.00 0.00 57.88 59.41 1q5y h LEU 67 Cb 0.34 0.74 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 1q5y h LEU 67 CO -0.19 -0.35 0.52 0.00 -0.34 0.00 0.00 178.44 178.08 1q5y h ALA 68 N 0.40 1.33 -0.78 1.25 0.00 -1.72 0.23 119.26 119.97 1q5y h ALA 68 Ca 0.15 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1q5y h ALA 68 Cb 0.56 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1q5y h ALA 68 CO -0.69 0.58 0.28 1.03 0.00 0.00 0.00 179.25 180.46 1q5y h SER 69 N 1.15 1.10 -0.48 0.00 0.87 -0.94 -1.87 113.55 113.39 1q5y h SER 69 Ca 0.30 -0.19 -0.07 0.00 -1.23 0.00 0.00 61.79 60.60 1q5y h SER 69 Cb -0.07 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 61.58 1q5y h SER 69 CO -0.06 0.99 0.04 0.03 -0.53 0.00 0.00 176.83 177.30 1q5y h ARG 70 N 1.15 0.88 -0.37 2.24 -0.00 0.75 -0.07 114.38 118.95 1q5y h ARG 70 Ca 0.26 -0.23 -0.10 0.00 -0.50 0.00 0.00 59.98 59.40 1q5y h ARG 70 Cb 0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 29.97 30.11 1q5y h ARG 70 CO -0.02 0.85 -0.17 0.82 0.00 0.00 0.00 179.97 181.46 1q5y h ILE 71 N 0.82 1.28 -0.42 2.04 2.04 -0.17 0.03 117.51 123.14 1q5y h ILE 71 Ca 0.16 -1.29 -0.15 0.00 1.00 0.00 0.00 64.86 64.58 1q5y h ILE 71 Cb 0.44 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1q5y h ILE 71 CO 0.02 0.43 -0.31 0.58 0.00 0.00 0.00 178.15 178.86 1q5y h VAL 72 N 0.57 1.27 -0.56 1.67 2.07 -1.24 -2.89 116.25 117.14 1q5y h VAL 72 Ca 0.08 -1.48 -0.10 0.00 0.82 0.00 0.00 66.70 66.03 1q5y h VAL 72 Cb 0.71 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1q5y h VAL 72 CO 0.05 0.50 -0.03 -1.28 0.02 0.00 0.00 177.57 176.83 1q5y h SER 73 N 0.78 0.96 0.17 0.57 0.87 -0.77 -1.18 113.55 114.95 1q5y h SER 73 Ca 0.08 -0.28 -0.10 0.00 -1.23 0.00 0.00 61.79 60.26 1q5y h SER 73 Cb 0.89 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 1q5y h SER 73 CO 0.08 1.03 -0.37 0.00 -0.53 0.00 0.00 176.83 177.05 1q5y h THR 74 N 0.89 1.29 -0.53 2.23 1.03 -0.98 0.02 112.91 116.86 1q5y h THR 74 Ca 0.16 -1.42 -0.04 0.00 -0.01 0.00 0.00 66.41 65.10 1q5y h THR 74 Cb 0.56 1.60 -0.03 0.00 -1.07 0.00 0.00 68.15 69.22 1q5y h THR 74 CO 0.03 0.43 0.18 1.56 -0.01 0.00 0.00 175.52 177.71 1q5y h GLN 75 N 0.24 0.77 -0.15 0.00 4.20 -1.22 -2.28 115.11 116.68 1q5y h GLN 75 Ca 0.03 -0.13 -0.17 0.00 0.06 0.00 0.00 58.65 58.44 1q5y h GLN 75 Cb 0.76 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.41 1q5y h GLN 75 CO 0.06 0.66 -0.62 0.45 -0.67 0.00 0.00 178.83 178.71 1q5y h HIS 76 N 0.76 0.66 0.00 2.96 3.86 -0.37 -1.30 115.15 121.73 1q5y h HIS 76 Ca 0.18 -0.26 -0.03 0.00 -1.16 0.00 0.00 60.37 59.10 1q5y h HIS 76 Cb 0.20 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.55 1q5y h HIS 76 CO 0.01 1.00 -0.14 0.45 0.86 0.00 0.00 177.93 180.11 1q5y h HIS 77 N 0.38 0.00 -0.81 2.45 3.86 -0.72 -2.39 115.15 117.93 1q5y h HIS 77 Ca -0.01 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.64 1q5y h HIS 77 Cb 1.18 0.00 -0.35 0.00 1.06 0.00 0.00 27.41 29.30 1q5y h HIS 77 CO 0.05 0.14 -0.15 0.72 0.86 0.00 0.00 177.93 179.55 1q5y n HIS 78 N -4.37 2.78 0.31 2.45 -0.00 -0.88 -4.85 115.22 110.66 1q5y n HIS 78 Ca -0.03 -2.46 0.15 0.00 -0.00 0.00 0.00 57.72 55.39 1q5y n HIS 78 Cb 0.21 -0.75 0.68 0.00 -0.00 0.00 0.00 29.99 30.13 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 2.01 0.00 0.00 4.41 -0.00 -0.70 -0.12 115.15 120.75 1q5y h HIS 79 Ca 0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.79 1q5y h HIS 79 Cb 1.30 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.71 1q5y h HIS 79 CO 1.08 0.00 -0.10 0.38 -0.00 0.00 0.00 177.93 179.29 1q5y h ASP 80 N 0.00 0.00 1.39 3.10 3.04 -1.87 -1.81 116.42 120.27 1q5y h ASP 80 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1q5y h ASP 80 Cb 0.26 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.55 1q5y h ASP 80 CO 0.00 0.10 -0.24 -0.07 -2.04 0.00 0.00 179.24 176.99 1q5y h LEU 81 N 0.00 0.00 -9.33 0.15 3.38 -1.20 -3.45 115.31 104.86 1q5y h LEU 81 Ca -0.00 -0.05 -0.57 0.00 0.09 0.00 0.00 57.88 57.35 1q5y h LEU 81 Cb 0.18 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.87 1q5y h LEU 81 CO 0.01 0.03 0.00 -0.55 0.09 0.00 0.00 178.44 178.02 1q5y s SER 82 N -4.88 6.85 -0.08 -0.43 0.15 -0.68 -0.60 113.70 114.03 1q5y s SER 82 Ca 0.08 1.02 -0.05 0.00 0.70 0.00 0.00 55.95 57.70 1q5y s SER 82 Cb 0.11 -2.36 -0.02 0.00 -1.71 0.00 0.00 66.02 62.04 1q5y s SER 82 CO 0.66 -0.08 -0.09 0.58 1.20 0.00 0.00 173.24 175.50 1q5y h VAL 83 N 4.78 0.00 -2.38 4.45 2.07 -1.19 -3.47 116.25 120.51 1q5y h VAL 83 Ca -0.40 -0.54 0.09 0.00 0.82 0.00 0.00 66.70 66.67 1q5y h VAL 83 Cb 1.19 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.81 1q5y h VAL 83 CO 0.76 0.00 0.45 0.00 0.02 0.00 0.00 177.57 178.80 1q5y s ALA 84 N -2.85 -1.79 -0.06 1.67 0.00 -1.21 -5.03 121.76 112.50 1q5y s ALA 84 Ca -0.08 0.91 0.03 0.00 0.00 0.00 0.00 51.96 52.82 1q5y s ALA 84 Cb 0.01 0.49 0.01 0.00 0.00 0.00 0.00 23.12 23.63 1q5y s ALA 84 CO 0.11 -0.71 -0.14 0.99 0.00 0.00 0.00 175.76 176.01 1q5y s THR 85 N -3.21 1.25 -0.15 0.00 2.01 -1.26 -1.05 115.64 113.22 1q5y s THR 85 Ca 0.05 -0.58 -0.09 0.00 0.31 0.00 0.00 61.69 61.39 1q5y s THR 85 Cb -0.01 -1.11 -0.04 0.00 0.01 0.00 0.00 72.50 71.35 1q5y s THR 85 CO -0.09 0.37 0.14 -0.22 -0.69 0.00 0.00 174.62 174.13 1q5y s LEU 86 N 0.39 4.31 -0.04 4.42 2.96 0.54 -4.93 118.68 126.33 1q5y s LEU 86 Ca -0.10 0.38 0.05 0.00 -0.22 0.00 0.00 54.13 54.24 1q5y s LEU 86 Cb -0.14 -2.09 -0.01 0.00 0.50 0.00 0.00 46.19 44.45 1q5y s LEU 86 CO 0.03 0.30 -0.20 -2.28 -1.32 0.00 0.00 176.35 172.89 1q5y s HIS 87 N -0.41 1.92 -0.08 5.38 5.65 -1.26 -0.49 115.29 126.00 1q5y s HIS 87 Ca 0.12 -0.51 0.01 0.00 0.25 0.00 0.00 55.06 54.94 1q5y s HIS 87 Cb -0.12 -1.27 0.02 0.00 -1.18 0.00 0.00 32.58 30.03 1q5y s HIS 87 CO 0.02 -0.14 -0.11 0.08 -0.65 0.00 0.00 174.74 173.94 1q5y s VAL 88 N -0.16 1.12 -0.96 0.89 1.01 0.28 -5.00 120.40 117.58 1q5y s VAL 88 Ca -0.00 -0.42 -0.21 0.00 0.00 0.00 0.00 61.98 61.34 1q5y s VAL 88 Cb -0.11 -1.06 0.09 0.00 0.00 0.00 0.00 36.38 35.30 1q5y s VAL 88 CO 0.02 0.36 1.27 -1.00 0.00 0.00 0.00 175.10 175.75 1q5y s HIS 89 N 1.05 2.82 0.14 5.22 3.76 -1.26 -0.80 115.29 126.22 1q5y s HIS 89 Ca -0.07 -1.08 0.17 0.00 -0.15 0.00 0.00 55.06 53.93 1q5y s HIS 89 Cb -0.15 -4.48 0.56 0.00 1.11 0.00 0.00 32.58 29.63 1q5y s HIS 89 CO -0.01 -1.71 1.68 -0.84 -0.85 0.00 0.00 174.74 173.01 1q5y h ILE 90 N 6.28 0.95 -2.55 0.60 3.07 -1.70 -3.46 117.51 120.70 1q5y h ILE 90 Ca 0.15 -1.70 -0.04 0.00 1.55 0.00 0.00 64.86 64.82 1q5y h ILE 90 Cb 1.02 2.03 -0.00 0.00 -0.27 0.00 0.00 36.82 39.59 1q5y h ILE 90 CO 1.26 0.42 0.08 -0.46 -1.05 0.00 0.00 178.15 178.40 1q5y n ASN 91 N -3.52 -0.94 0.22 2.16 0.23 -1.16 -4.99 115.26 107.25 1q5y n ASN 91 Ca -0.00 -1.75 0.07 0.00 -0.53 0.00 0.00 54.58 52.37 1q5y n ASN 91 Cb 0.55 1.60 0.50 0.00 -2.08 0.00 0.00 39.78 40.35 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 1.45 0.00 0.00 -2.53 3.86 -2.03 -3.24 115.15 112.65 1q5y h HIS 92 Ca -0.14 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.81 1q5y h HIS 92 Cb 0.55 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.97 1q5y h HIS 92 CO 0.00 0.26 -2.16 -0.25 0.86 0.00 0.00 177.93 176.64 1q5y n ASP 93 N -3.86 0.56 -4.53 2.45 8.00 -1.26 -4.96 116.55 112.95 1q5y n ASP 93 Ca -0.02 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.17 1q5y n ASP 93 Cb 0.35 1.15 -0.11 0.00 -0.02 0.00 0.00 41.12 42.48 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 -5.00 4.20 -0.09 -2.24 1.01 -1.22 -2.80 116.67 110.53 1q5y s ASP 94 Ca -0.08 -0.32 0.05 0.00 0.71 0.00 0.00 52.55 52.90 1q5y s ASP 94 Cb 0.07 -0.82 -0.00 0.00 1.01 0.00 0.00 42.92 43.18 1q5y s ASP 94 CO 0.75 0.25 -0.24 0.00 0.21 0.00 0.00 175.17 176.14 1q5y s LEU 96 N 0.20 4.06 -0.01 0.00 2.96 0.02 -1.01 118.68 124.90 1q5y s LEU 96 Ca -0.14 0.11 0.07 0.00 -0.22 0.00 0.00 54.13 53.95 1q5y s LEU 96 Cb -0.17 -2.19 -0.02 0.00 0.50 0.00 0.00 46.19 44.31 1q5y s LEU 96 CO 0.07 -0.04 -0.21 -1.61 -1.32 0.00 0.00 176.35 173.24 1q5y s GLU 97 N 1.57 2.19 -0.24 1.98 2.02 -0.26 -0.56 118.70 125.40 1q5y s GLU 97 Ca 0.09 -0.89 0.00 0.00 0.02 0.00 0.00 54.97 54.20 1q5y s GLU 97 Cb -0.15 -2.16 0.07 0.00 0.10 0.00 0.00 34.13 31.99 1q5y s GLU 97 CO 0.09 0.57 -0.01 0.42 0.02 0.00 0.00 175.26 176.34 1q5y s ILE 98 N -0.72 1.31 -0.30 -1.63 1.01 0.36 -1.80 121.20 119.43 1q5y s ILE 98 Ca 0.11 -1.17 -0.11 0.00 0.00 0.00 0.00 60.65 59.48 1q5y s ILE 98 Cb -0.10 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.66 1q5y s ILE 98 CO 0.01 -0.21 0.18 0.00 0.00 0.00 0.00 174.94 174.92 1q5y s ALA 99 N 1.48 3.42 -0.11 9.38 0.00 0.94 -0.34 121.76 136.53 1q5y s ALA 99 Ca -0.02 -1.24 -0.25 0.00 0.00 0.00 0.00 51.96 50.44 1q5y s ALA 99 Cb -0.18 -2.46 -0.02 0.00 0.00 0.00 0.00 23.12 20.46 1q5y s ALA 99 CO -0.09 -0.74 0.82 0.08 0.00 0.00 0.00 175.76 175.84 1q5y s VAL 100 N 1.70 4.93 0.20 0.00 1.01 -0.22 -0.65 120.40 127.36 1q5y s VAL 100 Ca 0.06 1.64 0.10 0.00 0.00 0.00 0.00 61.98 63.79 1q5y s VAL 100 Cb -0.16 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1q5y s VAL 100 CO 0.09 0.11 -0.16 -0.76 0.00 0.00 0.00 175.10 174.38 1q5y s LEU 101 N 1.57 2.72 -0.06 3.92 1.43 -0.04 -0.67 118.68 127.55 1q5y s LEU 101 Ca 0.40 -0.74 -0.03 0.00 -1.03 0.00 0.00 54.13 52.73 1q5y s LEU 101 Cb -0.18 -1.41 0.03 0.00 0.03 0.00 0.00 46.19 44.67 1q5y s LEU 101 CO 0.17 0.10 0.15 -0.75 0.23 0.00 0.00 176.35 176.25 1q5y s LYS 102 N -2.84 0.11 0.00 1.70 2.20 0.23 -1.18 119.74 119.95 1q5y s LYS 102 Ca 0.24 0.34 0.00 0.00 -0.36 0.00 0.00 55.97 56.19 1q5y s LYS 102 Cb -0.08 -0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.11 1q5y s LYS 102 CO 0.13 -0.14 0.00 0.41 -0.36 0.00 0.00 175.35 175.39 1q5y n GLY 103 N 3.98 -0.42 3.73 5.54 0.00 -0.37 -4.33 105.19 113.33 1q5y n GLY 103 Ca -0.24 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 1q5y n GLY 103 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1q5y s ASP 104 N -4.00 7.00 0.33 1.61 -1.08 -1.26 -0.48 116.67 118.79 1q5y s ASP 104 Ca 0.00 2.28 0.12 0.00 -0.52 0.00 0.00 52.55 54.43 1q5y s ASP 104 Cb 0.00 -2.60 0.56 0.00 -1.46 0.00 0.00 42.92 39.41 1q5y s ASP 104 CO 0.00 -0.45 1.73 0.24 0.52 0.00 0.00 175.17 177.21 1q5y h MET 105 N 5.48 0.01 -0.30 4.34 2.86 -0.98 0.14 114.93 126.47 1q5y h MET 105 Ca -0.44 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.17 1q5y h MET 105 Cb 1.21 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.86 1q5y h MET 105 CO 0.77 0.48 0.09 0.78 1.06 0.00 0.00 176.91 180.09 1q5y h GLY 106 N 1.44 0.50 1.17 8.32 0.00 -1.91 -0.67 103.07 111.92 1q5y h GLY 106 Ca -0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 1q5y h GLY 106 CO 0.06 0.28 0.28 -0.55 0.00 0.00 0.00 176.54 176.61 1q5y h ASP 107 N 0.32 0.97 -0.46 0.19 3.32 -1.81 -1.16 116.42 117.78 1q5y h ASP 107 Ca 0.10 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1q5y h ASP 107 Cb 0.26 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1q5y h ASP 107 CO -0.00 0.87 0.26 0.58 -1.72 0.00 0.00 179.24 179.22 1q5y h VAL 108 N 1.03 1.16 -0.47 -1.35 2.07 -0.87 -0.77 116.25 117.06 1q5y h VAL 108 Ca 0.24 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1q5y h VAL 108 Cb 0.21 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1q5y h VAL 108 CO -0.02 0.17 0.28 -0.61 0.02 0.00 0.00 177.57 177.41 1q5y h GLN 109 N 0.61 0.63 -0.61 1.57 5.75 -0.83 0.08 115.11 122.31 1q5y h GLN 109 Ca 0.16 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.55 1q5y h GLN 109 Cb 0.05 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 1q5y h GLN 109 CO -0.03 0.46 0.15 1.25 -2.65 0.00 0.00 178.83 178.01 1q5y h HIS 110 N 0.62 1.02 0.04 3.99 2.76 -1.01 -0.11 115.15 122.46 1q5y h HIS 110 Ca 0.17 -0.12 -0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1q5y h HIS 110 Cb -0.01 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 28.66 1q5y h HIS 110 CO -0.03 0.86 -0.02 0.35 -1.30 0.00 0.00 177.93 177.79 1q5y h PHE 111 N 0.89 -0.05 -0.98 5.26 3.04 -0.97 -2.40 116.94 121.72 1q5y h PHE 111 Ca 0.19 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.14 1q5y h PHE 111 Cb 0.35 0.02 -0.05 0.00 2.56 0.00 0.00 35.95 38.83 1q5y h PHE 111 CO 0.03 -0.01 0.63 0.00 -2.02 0.00 0.00 178.31 176.93 1q5y h ALA 112 N 0.88 1.26 -0.80 2.41 0.00 -0.83 -1.42 119.26 120.77 1q5y h ALA 112 Ca -0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1q5y h ALA 112 Cb 0.07 -0.40 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 1q5y h ALA 112 CO 0.01 0.66 0.34 -0.44 0.00 0.00 0.00 179.25 179.83 1q5y h ASP 113 N 1.34 1.07 -0.67 0.00 3.45 -0.88 -1.01 116.42 119.72 1q5y h ASP 113 Ca 0.36 -0.15 -0.08 0.00 0.43 0.00 0.00 57.03 57.59 1q5y h ASP 113 Cb -0.12 -0.28 -0.03 0.00 -0.56 0.00 0.00 39.33 38.35 1q5y h ASP 113 CO -0.07 0.93 0.12 0.44 -1.57 0.00 0.00 179.24 179.08 1q5y h ASP 114 N 1.15 1.05 -0.10 6.45 5.19 -0.93 -1.13 116.42 128.09 1q5y h ASP 114 Ca 0.27 -0.26 -0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1q5y h ASP 114 Cb 0.17 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.40 1q5y h ASP 114 CO -0.03 1.04 0.06 0.58 -3.12 0.00 0.00 179.24 177.78 1q5y h VAL 115 N 1.02 1.06 -0.15 -1.35 2.07 -0.77 -3.13 116.25 115.00 1q5y h VAL 115 Ca 0.20 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.49 1q5y h VAL 115 Cb 0.43 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1q5y h VAL 115 CO 0.01 0.06 -0.21 0.40 0.02 0.00 0.00 177.57 177.84 1q5y h ILE 116 N 0.10 1.22 0.00 4.57 2.04 -1.03 -2.60 117.51 121.81 1q5y h ILE 116 Ca 0.04 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 64.87 1q5y h ILE 116 Cb 0.04 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1q5y h ILE 116 CO -0.01 0.32 0.00 0.00 0.00 0.00 0.00 178.15 178.46 1q5y n ALA 117 N -2.48 1.80 -2.00 1.87 0.00 -0.44 -4.69 120.51 114.55 1q5y n ALA 117 Ca -0.01 -0.06 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 1q5y n ALA 117 Cb 0.34 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 1q5y n ALA 117 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1q5y s GLN 118 N -2.93 4.27 0.09 0.00 -1.52 -0.98 -4.92 119.66 113.67 1q5y s GLN 118 Ca 0.10 2.23 -0.31 0.00 -1.95 0.00 0.00 55.36 55.43 1q5y s GLN 118 Cb 0.11 -3.18 -0.09 0.00 -0.22 0.00 0.00 33.01 29.63 1q5y s GLN 118 CO 0.30 -0.49 1.69 -0.98 -0.25 0.00 0.00 175.29 175.56 1q5y s ARG 119 N 0.74 4.18 0.00 2.91 1.70 -1.26 -1.74 118.95 125.48 1q5y s ARG 119 Ca 0.65 2.39 0.00 0.00 -0.47 0.00 0.00 55.73 58.31 1q5y s ARG 119 Cb -0.41 -3.58 0.00 0.00 -0.57 0.00 0.00 34.95 30.40 1q5y s ARG 119 CO 0.34 -0.75 0.00 0.41 -1.08 0.00 0.00 175.30 174.21 1q5y n GLY 120 N 4.04 1.76 3.68 3.88 0.00 -1.26 -4.99 105.19 112.31 1q5y n GLY 120 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.26 4.87 0.32 1.61 1.01 -0.71 -4.44 120.40 120.80 1q5y s VAL 121 Ca 0.00 1.76 0.10 0.00 0.00 0.00 0.00 61.98 63.84 1q5y s VAL 121 Cb 0.00 -4.19 -0.06 0.00 0.00 0.00 0.00 36.38 32.13 1q5y s VAL 121 CO 0.00 0.05 -0.11 -0.13 0.00 0.00 0.00 175.10 174.91 1q5y s ARG 122 N 1.90 1.82 -1.66 2.72 0.52 0.27 -4.72 118.95 119.79 1q5y s ARG 122 Ca 0.42 -1.85 0.00 0.00 -0.52 0.00 0.00 55.73 53.78 1q5y s ARG 122 Cb -0.17 -1.77 0.00 0.00 0.52 0.00 0.00 34.95 33.53 1q5y s ARG 122 CO 0.15 0.21 0.00 0.72 0.02 0.00 0.00 175.30 176.40 1q5y n HIS 123 N -0.76 -0.89 -1.72 -0.53 8.25 -1.26 -0.71 115.22 117.60 1q5y n HIS 123 Ca -0.05 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.99 1q5y n HIS 123 Cb 0.62 -3.51 -0.03 0.00 1.12 0.00 0.00 29.99 28.19 1q5y n HIS 123 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1q5y n GLY 124 N -0.81 1.53 3.22 -1.41 0.00 -1.26 -4.21 105.19 102.25 1q5y n GLY 124 Ca -0.21 0.62 -0.10 0.00 0.00 0.00 0.00 46.02 46.33 1q5y n GLY 124 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1q5y s HIS 125 N 1.21 -0.61 -0.18 1.61 5.04 -0.12 -5.00 115.29 117.24 1q5y s HIS 125 Ca 0.75 1.27 0.00 0.00 -1.54 0.00 0.00 55.06 55.55 1q5y s HIS 125 Cb -0.51 0.22 0.01 0.00 0.04 0.00 0.00 32.58 32.34 1q5y s HIS 125 CO 0.32 -0.37 -0.17 -1.17 -2.34 0.00 0.00 174.74 171.01 1q5y s LEU 126 N 1.83 2.28 -0.30 8.88 2.96 -1.26 -0.78 118.68 132.29 1q5y s LEU 126 Ca -0.06 -0.59 -0.08 0.00 -0.22 0.00 0.00 54.13 53.18 1q5y s LEU 126 Cb -0.10 -1.52 -0.00 0.00 0.50 0.00 0.00 46.19 45.06 1q5y s LEU 126 CO -0.12 0.01 0.11 -1.58 -1.32 0.00 0.00 176.35 173.45 1q5y s GLN 127 N 1.23 3.25 -0.04 1.98 0.74 0.11 -4.97 119.66 121.95 1q5y s GLN 127 Ca 0.03 -0.76 -0.13 0.00 0.05 0.00 0.00 55.36 54.55 1q5y s GLN 127 Cb -0.14 -3.45 -0.05 0.00 1.10 0.00 0.00 33.01 30.47 1q5y s GLN 127 CO -0.09 -0.41 0.33 0.00 -0.55 0.00 0.00 175.29 174.57 1q5y n LEU 129 N 1.96 2.71 -4.72 0.00 4.77 0.85 -4.98 117.00 117.59 1q5y n LEU 129 Ca -0.15 -5.22 -0.35 0.00 -0.03 0.00 0.00 56.01 50.25 1q5y n LEU 129 Cb 0.53 -0.29 0.08 0.00 -2.33 0.00 0.00 43.42 41.42 1q5y n LEU 129 CO 0.36 2.06 0.84 -2.16 -1.33 0.00 0.00 177.39 177.15 1q5y s PRO 130 N -2.09 2.28 0.29 3.23 0.04 -1.26 -1.70 135.00 135.79 1q5y s PRO 130 Ca 0.38 1.88 -0.30 0.00 0.04 0.00 0.00 61.00 63.00 1q5y s PRO 130 Cb 0.15 -1.84 -0.12 0.00 0.04 0.00 0.00 34.50 32.74 1q5y s PRO 130 CO -0.04 -1.76 1.50 1.17 0.04 0.00 0.00 177.00 177.90 1q5y n LYS 131 N -2.42 2.44 0.00 4.56 4.81 0.18 -4.87 118.16 122.86 1q5y n LYS 131 Ca 0.14 0.87 0.12 0.00 -0.87 0.00 0.00 58.31 58.57 1q5y n LYS 131 Cb 0.49 -2.58 0.71 0.00 0.02 0.00 0.00 35.03 33.67 1q5y n LYS 131 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96