#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yqe h SER 73 N 0.00 -0.52 -3.01 1.61 4.64 -2.15 -3.42 113.55 110.69 2yqe h SER 73 Ca 0.00 0.08 -0.58 0.00 -0.47 0.00 0.00 61.79 60.82 2yqe h SER 73 Cb 0.00 0.22 0.11 0.00 -0.31 0.00 0.00 62.40 62.43 2yqe h SER 73 CO 0.00 -0.24 0.33 -0.24 -0.87 0.00 0.00 176.83 175.81 2yqe n SER 74 N -5.31 2.04 0.00 4.97 2.88 -1.26 -5.00 113.62 111.95 2yqe n SER 74 Ca -0.05 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 2yqe n SER 74 Cb 0.23 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.29 2yqe n SER 74 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yqe n GLY 75 N 0.98 3.11 2.84 0.46 0.00 -1.26 -5.12 105.19 106.21 2yqe n GLY 75 Ca 0.07 -1.37 -0.28 0.00 0.00 0.00 0.00 46.02 44.45 2yqe n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yqe s SER 76 N -0.02 2.80 0.08 1.61 0.01 -1.26 -5.01 113.70 111.91 2yqe s SER 76 Ca 0.00 -0.68 -0.17 0.00 1.31 0.00 0.00 55.95 56.41 2yqe s SER 76 Cb 0.00 -0.81 -0.11 0.00 0.21 0.00 0.00 66.02 65.31 2yqe s SER 76 CO 0.00 -0.22 1.39 0.77 0.41 0.00 0.00 173.24 175.59 2yqe h SER 77 N 8.16 0.60 0.00 2.44 4.64 -2.05 -3.49 113.55 123.85 2yqe h SER 77 Ca -0.21 -0.47 0.00 0.00 -0.47 0.00 0.00 61.79 60.63 2yqe h SER 77 Cb 1.11 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 2yqe h SER 77 CO 0.37 0.95 0.00 0.61 -0.87 0.00 0.00 176.83 177.89 2yqe n GLY 78 N 0.17 1.54 3.49 -0.77 0.00 -1.26 -5.09 105.19 103.28 2yqe n GLY 78 Ca -0.05 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 2yqe n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yqe s THR 79 N -1.72 4.25 0.02 2.61 2.01 -1.26 -4.73 115.64 116.81 2yqe s THR 79 Ca 0.00 -0.68 -0.00 0.00 0.31 0.00 0.00 61.69 61.32 2yqe s THR 79 Cb 0.00 -4.84 -0.00 0.00 0.01 0.00 0.00 72.50 67.67 2yqe s THR 79 CO 0.00 -1.65 -0.00 0.54 -0.69 0.00 0.00 174.62 172.82 2yqe n ARG 80 N 7.92 0.00 -0.13 4.92 3.00 -1.26 -4.76 116.66 126.36 2yqe n ARG 80 Ca 0.14 0.00 -0.04 0.00 -0.01 0.00 0.00 57.85 57.94 2yqe n ARG 80 Cb 0.48 -0.13 0.04 0.00 0.00 0.00 0.00 32.46 32.86 2yqe n ARG 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2yqe h VAL 81 N -0.01 0.72 -0.28 1.55 2.07 -2.01 0.48 116.25 118.77 2yqe h VAL 81 Ca 0.00 -0.05 0.08 0.00 0.82 0.00 0.00 66.70 67.55 2yqe h VAL 81 Cb 0.01 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2yqe h VAL 81 CO 0.00 0.03 0.79 0.11 0.02 0.00 0.00 177.57 178.52 2yqe h LYS 82 N 0.16 0.00 0.06 1.57 1.57 -1.92 1.31 116.57 119.32 2yqe h LYS 82 Ca 0.21 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.68 2yqe h LYS 82 Cb 0.29 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 2yqe h LYS 82 CO -0.32 0.00 -1.69 -0.07 -0.57 0.00 0.00 179.45 176.80 2yqe h LEU 83 N 0.00 0.21 -0.88 2.94 3.38 -1.20 -3.28 115.31 116.49 2yqe h LEU 83 Ca 0.13 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 2yqe h LEU 83 Cb 1.70 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.35 2yqe h LEU 83 CO -0.00 1.34 0.26 -1.13 0.09 0.00 0.00 178.44 179.00 2yqe h ASN 84 N 0.04 1.00 0.71 -0.43 -1.24 0.18 0.53 115.58 116.36 2yqe h ASN 84 Ca -0.29 -0.16 -0.08 0.00 0.71 0.00 0.00 56.30 56.47 2yqe h ASN 84 Cb 2.01 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 40.78 2yqe h ASN 84 CO 0.11 0.91 -0.39 0.22 -1.29 0.00 0.00 177.43 176.98 2yqe h TYR 85 N 1.05 0.00 0.00 0.67 3.20 -1.56 -2.89 116.97 117.44 2yqe h TYR 85 Ca 0.24 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.11 2yqe h TYR 85 Cb 0.24 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.51 2yqe h TYR 85 CO 0.02 0.39 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.84 2yqe h LEU 86 N 0.00 0.00 -1.86 2.82 3.38 -1.46 -3.00 115.31 115.19 2yqe h LEU 86 Ca -0.00 0.00 0.42 0.00 0.09 0.00 0.00 57.88 58.39 2yqe h LEU 86 Cb 0.86 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.53 2yqe h LEU 86 CO 0.05 0.35 1.02 0.44 0.09 0.00 0.00 178.44 180.39 2yqe h ASP 87 N -0.68 0.07 0.00 -0.43 3.32 -1.02 -0.41 116.42 117.28 2yqe h ASP 87 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2yqe h ASP 87 Cb 0.02 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2yqe h ASP 87 CO 0.00 -0.02 0.00 0.00 -1.72 0.00 0.00 179.24 177.50 2yqe n GLN 88 N -4.21 0.00 -0.45 3.56 6.02 -1.09 -1.89 117.38 119.32 2yqe n GLN 88 Ca 0.33 0.45 0.37 0.00 -0.01 0.00 0.00 57.00 58.14 2yqe n GLN 88 Cb 1.48 -1.14 0.66 0.00 1.02 0.00 0.00 30.24 32.26 2yqe n GLN 88 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.06 177.02 2yqe h ILE 89 N 0.00 0.19 0.01 5.09 2.10 -1.25 0.35 117.51 124.00 2yqe h ILE 89 Ca 0.00 -0.04 -0.00 0.00 1.08 0.00 0.00 64.86 65.90 2yqe h ILE 89 Cb 0.00 0.07 0.00 0.00 -1.09 0.00 0.00 36.82 35.80 2yqe h ILE 89 CO 0.00 0.02 -0.00 0.00 -1.08 0.00 0.00 178.15 177.09 2yqe h ALA 90 N 1.52 -0.01 -0.75 0.18 0.00 -1.17 -2.69 119.26 116.34 2yqe h ALA 90 Ca 0.78 -0.22 0.22 0.00 0.00 0.00 0.00 54.91 55.69 2yqe h ALA 90 Cb 2.54 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 20.31 2yqe h ALA 90 CO -0.32 -0.29 0.57 -0.22 0.00 0.00 0.00 179.25 178.99 2yqe h LYS 91 N -0.45 0.00 0.07 0.00 3.11 0.41 0.33 116.57 120.03 2yqe h LYS 91 Ca -0.00 0.00 -0.27 0.00 -2.81 0.00 0.00 60.65 57.57 2yqe h LYS 91 Cb 0.44 0.00 0.02 0.00 -1.00 0.00 0.00 32.23 31.69 2yqe h LYS 91 CO 0.00 0.00 -1.12 0.35 -2.81 0.00 0.00 179.45 175.87 2yqe h PHE 92 N 0.00 0.81 0.18 1.91 3.57 -1.29 -3.30 116.94 118.82 2yqe h PHE 92 Ca 0.35 -0.49 -0.01 0.00 3.53 0.00 0.00 57.97 61.36 2yqe h PHE 92 Cb 1.49 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.16 2yqe h PHE 92 CO 0.00 1.33 -0.09 -1.49 -2.23 0.00 0.00 178.31 175.84 2yqe h TRP 93 N 0.25 -0.22 -0.73 0.41 4.06 -0.32 -3.20 115.95 116.19 2yqe h TRP 93 Ca -0.14 -0.01 0.30 0.00 2.06 0.00 0.00 58.89 61.11 2yqe h TRP 93 Cb 1.79 0.07 -0.13 0.00 -1.00 0.00 0.00 29.16 29.89 2yqe h TRP 93 CO 0.09 -0.08 0.36 -0.85 -3.56 0.00 0.00 178.44 174.40 2yqe n GLU 94 N -4.93 -0.05 0.14 0.49 0.28 0.85 0.12 120.64 117.53 2yqe n GLU 94 Ca -0.04 1.02 -0.13 0.00 -0.16 0.00 0.00 57.16 57.85 2yqe n GLU 94 Cb 0.12 -1.81 -0.08 0.00 1.43 0.00 0.00 31.44 31.10 2yqe n GLU 94 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 2yqe h ILE 95 N 0.00 0.78 -0.82 3.84 2.04 -1.64 -3.17 117.51 118.54 2yqe h ILE 95 Ca 0.61 -0.60 0.20 0.00 1.00 0.00 0.00 64.86 66.06 2yqe h ILE 95 Cb 1.59 1.10 -0.13 0.00 -0.74 0.00 0.00 36.82 38.64 2yqe h ILE 95 CO -0.57 0.12 0.19 1.56 0.00 0.00 0.00 178.15 179.45 2yqe h GLN 96 N -0.69 0.21 0.00 2.37 1.08 0.90 -3.45 115.11 115.54 2yqe h GLN 96 Ca -0.04 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2yqe h GLN 96 Cb 0.47 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 2yqe h GLN 96 CO 0.06 0.14 0.00 0.41 -0.95 0.00 0.00 178.83 178.49 2yqe n GLY 97 N -1.38 0.71 3.16 3.46 0.00 -0.80 -5.13 105.19 105.21 2yqe n GLY 97 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.25 2yqe n GLY 97 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yqe s SER 98 N -1.11 -0.90 1.00 1.61 0.15 -1.24 -5.05 113.70 108.16 2yqe s SER 98 Ca 0.00 0.58 -0.19 0.00 0.70 0.00 0.00 55.95 57.05 2yqe s SER 98 Cb 0.00 1.76 -0.10 0.00 -1.71 0.00 0.00 66.02 65.98 2yqe s SER 98 CO 0.00 -0.17 -0.64 -1.54 1.20 0.00 0.00 173.24 172.09 2yqe n SER 99 N 5.45 -4.16 -4.52 5.45 3.41 -1.26 -3.89 113.62 114.09 2yqe n SER 99 Ca -0.04 0.14 -0.43 0.00 -0.26 0.00 0.00 58.87 58.28 2yqe n SER 99 Cb 0.52 -0.81 -0.08 0.00 -0.26 0.00 0.00 64.21 63.58 2yqe n SER 99 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2yqe s LEU 100 N 5.14 4.55 0.07 1.04 2.96 -1.26 -4.86 118.68 126.32 2yqe s LEU 100 Ca 0.44 -0.33 0.04 0.00 -0.22 0.00 0.00 54.13 54.05 2yqe s LEU 100 Cb -0.11 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.93 2yqe s LEU 100 CO 0.74 -0.64 0.03 -0.54 -1.32 0.00 0.00 176.35 174.62 2yqe s LYS 101 N 2.52 2.71 -0.10 1.98 1.02 -1.26 -5.08 119.74 121.54 2yqe s LYS 101 Ca 0.19 -0.74 0.04 0.00 0.02 0.00 0.00 55.97 55.47 2yqe s LYS 101 Cb -0.15 -2.63 -0.00 0.00 -0.52 0.00 0.00 37.83 34.52 2yqe s LYS 101 CO 0.16 0.56 -0.24 0.42 -0.92 0.00 0.00 175.35 175.34 2yqe s ILE 102 N -1.30 2.07 0.78 2.17 1.01 -1.26 -5.13 121.20 119.54 2yqe s ILE 102 Ca 0.26 -1.02 -0.11 0.00 0.00 0.00 0.00 60.65 59.79 2yqe s ILE 102 Cb -0.12 -1.78 0.06 0.00 0.01 0.00 0.00 42.46 40.63 2yqe s ILE 102 CO 0.18 0.56 1.09 -2.16 0.00 0.00 0.00 174.94 174.61 2yqe s PRO 103 N 0.35 2.16 -0.17 2.79 0.04 -1.26 -4.95 135.00 133.96 2yqe s PRO 103 Ca -0.19 1.14 -0.03 0.00 0.04 0.00 0.00 61.00 61.96 2yqe s PRO 103 Cb -0.18 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 2yqe s PRO 103 CO 0.09 -1.70 -0.07 -0.80 0.04 0.00 0.00 177.00 174.56 2yqe s ASN 104 N -3.39 4.35 0.04 6.66 0.01 -1.26 -3.39 114.94 117.95 2yqe s ASN 104 Ca 0.61 -0.30 0.09 0.00 -0.71 0.00 0.00 52.86 52.55 2yqe s ASN 104 Cb -0.17 -1.71 -0.03 0.00 0.41 0.00 0.00 41.25 39.75 2yqe s ASN 104 CO 0.56 0.09 -0.25 -0.69 -1.51 0.00 0.00 177.10 175.31 2yqe s VAL 105 N 0.80 2.00 -1.38 1.60 1.01 0.41 -4.77 120.40 120.07 2yqe s VAL 105 Ca -0.03 -1.32 -0.15 0.00 0.00 0.00 0.00 61.98 60.49 2yqe s VAL 105 Cb -0.15 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.54 2yqe s VAL 105 CO 0.01 0.33 0.37 -0.62 0.00 0.00 0.00 175.10 175.20 2yqe n GLU 106 N 1.84 -0.95 -4.36 2.72 -0.58 -1.26 0.75 120.64 118.80 2yqe n GLU 106 Ca -0.17 0.14 -0.39 0.00 -0.42 0.00 0.00 57.16 56.32 2yqe n GLU 106 Cb 0.52 -3.30 -0.05 0.00 -0.57 0.00 0.00 31.44 28.04 2yqe n GLU 106 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2yqe n ARG 107 N -4.73 -2.12 -3.57 3.49 1.85 -1.26 -4.90 116.66 105.41 2yqe n ARG 107 Ca -0.23 0.27 -0.15 0.00 -1.00 0.00 0.00 57.85 56.74 2yqe n ARG 107 Cb 0.64 -4.94 -0.06 0.00 -1.05 0.00 0.00 32.46 27.05 2yqe n ARG 107 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 2yqe s LYS 108 N -7.07 1.01 0.41 2.89 2.47 0.23 -5.15 119.74 114.53 2yqe s LYS 108 Ca 0.79 -0.06 -0.26 0.00 -1.56 0.00 0.00 55.97 54.87 2yqe s LYS 108 Cb -0.44 0.47 -0.09 0.00 -1.46 0.00 0.00 37.83 36.30 2yqe s LYS 108 CO 0.97 -0.34 1.38 -1.50 0.16 0.00 0.00 175.35 176.02 2yqe s ILE 109 N -1.92 2.33 0.00 5.43 2.07 -1.26 -0.44 121.20 127.41 2yqe s ILE 109 Ca -0.08 0.30 -0.23 0.00 -1.41 0.00 0.00 60.65 59.23 2yqe s ILE 109 Cb -0.01 -3.18 -0.05 0.00 0.13 0.00 0.00 42.46 39.35 2yqe s ILE 109 CO 0.03 0.05 0.71 -0.22 -1.91 0.00 0.00 174.94 173.59 2yqe s LEU 110 N -2.40 4.41 -1.22 8.50 0.20 -1.22 -4.78 118.68 122.18 2yqe s LEU 110 Ca 0.57 1.31 -0.10 0.00 0.69 0.00 0.00 54.13 56.60 2yqe s LEU 110 Cb -0.42 -3.11 0.20 0.00 -0.43 0.00 0.00 46.19 42.43 2yqe s LEU 110 CO 0.55 0.00 1.61 -0.67 -0.29 0.00 0.00 176.35 177.55 2yqe n ASP 111 N 3.03 5.36 0.01 3.68 -0.08 -1.26 -4.80 116.55 122.49 2yqe n ASP 111 Ca -0.03 -3.10 0.20 0.00 -1.51 0.00 0.00 54.79 50.35 2yqe n ASP 111 Cb 0.51 -1.47 0.70 0.00 2.34 0.00 0.00 41.12 43.19 2yqe n ASP 111 CO 0.00 0.00 0.00 0.17 0.12 0.00 0.00 177.20 177.49 2yqe h LEU 112 N 8.03 0.00 0.30 -2.67 -0.00 -1.99 -2.28 115.31 116.70 2yqe h LEU 112 Ca 0.32 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.19 2yqe h LEU 112 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.39 2yqe h LEU 112 CO 1.40 0.00 -0.15 0.22 -0.00 0.00 0.00 178.44 179.92 2yqe h TYR 113 N 0.00 -0.38 -0.23 0.17 3.20 -1.93 -2.60 116.97 115.20 2yqe h TYR 113 Ca 0.25 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.17 2yqe h TYR 113 Cb 1.01 0.12 -0.07 0.00 1.54 0.00 0.00 36.73 39.33 2yqe h TYR 113 CO 0.00 -0.23 -0.28 0.77 -1.64 0.00 0.00 178.16 176.78 2yqe h SER 114 N -0.42 -0.89 -0.87 -2.11 0.02 -1.92 -2.00 113.55 105.37 2yqe h SER 114 Ca -0.04 0.15 0.08 0.00 -0.84 0.00 0.00 61.79 61.14 2yqe h SER 114 Cb 0.31 0.41 -0.10 0.00 0.14 0.00 0.00 62.40 63.15 2yqe h SER 114 CO 0.07 -0.31 -0.51 -0.11 -1.14 0.00 0.00 176.83 174.83 2yqe n LEU 115 N -5.39 -0.92 0.10 5.07 7.94 -0.88 0.19 117.00 123.11 2yqe n LEU 115 Ca -0.01 1.65 -0.06 0.00 -1.11 0.00 0.00 56.01 56.47 2yqe n LEU 115 Cb 0.31 -0.25 -0.03 0.00 0.53 0.00 0.00 43.42 43.97 2yqe n LEU 115 CO 0.14 -1.31 0.51 -1.28 -1.11 0.00 0.00 177.39 174.33 2yqe h SER 116 N 0.00 -0.48 -0.54 1.96 0.87 -1.05 -1.96 113.55 112.35 2yqe h SER 116 Ca 0.14 0.04 0.05 0.00 -1.23 0.00 0.00 61.79 60.79 2yqe h SER 116 Cb 0.36 0.16 -0.07 0.00 -0.44 0.00 0.00 62.40 62.41 2yqe h SER 116 CO -0.82 -0.23 -0.35 0.11 -0.53 0.00 0.00 176.83 175.01 2yqe h LYS 117 N -0.35 -0.04 -0.61 2.24 6.56 -0.77 -1.51 116.57 122.08 2yqe h LYS 117 Ca -0.02 0.00 0.06 0.00 -1.06 0.00 0.00 60.65 59.63 2yqe h LYS 117 Cb 0.31 0.01 -0.08 0.00 -0.57 0.00 0.00 32.23 31.90 2yqe h LYS 117 CO -0.02 -0.03 -0.39 0.82 -2.06 0.00 0.00 179.45 177.77 2yqe h ILE 118 N -0.04 0.00 -0.93 1.86 2.04 -0.23 -0.60 117.51 119.61 2yqe h ILE 118 Ca 0.09 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.05 2yqe h ILE 118 Cb 0.26 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.22 2yqe h ILE 118 CO -0.53 0.00 -0.52 0.58 0.00 0.00 0.00 178.15 177.68 2yqe h VAL 119 N -0.04 0.01 -0.91 1.67 2.07 -0.49 0.59 116.25 119.15 2yqe h VAL 119 Ca 0.10 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.83 2yqe h VAL 119 Cb 0.29 0.01 -0.12 0.00 -1.52 0.00 0.00 31.29 29.95 2yqe h VAL 119 CO -0.60 0.00 0.44 0.40 0.02 0.00 0.00 177.57 177.83 2yqe h ILE 120 N -0.05 0.53 0.02 4.57 2.04 -0.38 -0.90 117.51 123.34 2yqe h ILE 120 Ca 0.21 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 2yqe h ILE 120 Cb 0.49 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2yqe h ILE 120 CO -0.91 0.09 -0.01 -0.33 0.00 0.00 0.00 178.15 176.99 2yqe h GLU 121 N 0.48 -0.02 -1.00 2.37 4.39 0.11 -2.89 114.58 118.02 2yqe h GLU 121 Ca 0.56 0.00 0.26 0.00 0.34 0.00 0.00 59.36 60.52 2yqe h GLU 121 Cb 1.02 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.54 2yqe h GLU 121 CO -0.49 0.28 0.58 0.93 -1.16 0.00 0.00 179.01 179.15 2yqe h GLU 122 N -0.32 0.51 0.00 2.33 4.39 0.51 -3.43 114.58 118.58 2yqe h GLU 122 Ca -0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2yqe h GLU 122 Cb 0.31 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2yqe h GLU 122 CO 0.00 0.34 0.00 0.41 -1.16 0.00 0.00 179.01 178.60 2yqe n GLY 123 N -1.31 0.00 0.00 -3.84 0.00 -0.83 -4.93 105.19 94.28 2yqe n GLY 123 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2yqe n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yqe n GLY 124 N 0.00 -1.24 0.12 -0.02 0.00 -1.07 -3.92 105.19 99.07 2yqe n GLY 124 Ca 0.00 -1.60 -0.18 0.00 0.00 0.00 0.00 46.02 44.24 2yqe n GLY 124 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2yqe h TYR 125 N 0.00 0.47 -0.60 1.61 5.03 -1.93 -3.16 116.97 118.39 2yqe h TYR 125 Ca 0.00 -0.34 -0.09 0.00 2.58 0.00 0.00 58.73 60.88 2yqe h TYR 125 Cb 0.00 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.24 2yqe h TYR 125 CO 0.00 1.51 0.01 0.93 -1.32 0.00 0.00 178.16 179.30 2yqe h GLU 126 N 0.07 1.04 0.44 1.82 5.08 -1.98 -1.77 114.58 119.28 2yqe h GLU 126 Ca -0.32 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 57.69 2yqe h GLU 126 Cb 2.04 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.20 2yqe h GLU 126 CO 0.14 1.02 -0.21 0.00 -1.00 0.00 0.00 179.01 178.95 2yqe h ALA 127 N 0.99 -0.83 -1.03 3.43 0.00 -1.71 -2.26 119.26 117.85 2yqe h ALA 127 Ca 0.17 -0.13 0.26 0.00 0.00 0.00 0.00 54.91 55.21 2yqe h ALA 127 Cb 0.54 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.46 2yqe h ALA 127 CO 0.03 -0.78 0.65 -0.84 0.00 0.00 0.00 179.25 178.31 2yqe h ILE 128 N -0.82 0.54 0.06 0.00 -0.00 -1.62 0.10 117.51 115.76 2yqe h ILE 128 Ca -0.06 -0.15 -0.00 0.00 -0.00 0.00 0.00 64.86 64.64 2yqe h ILE 128 Cb 0.46 0.06 0.00 0.00 -0.00 0.00 0.00 36.82 37.34 2yqe h ILE 128 CO 0.10 0.08 -0.03 0.00 -0.00 0.00 0.00 178.15 178.30 2yqe h LYS 130 N -0.22 0.47 -0.64 0.00 6.56 -0.43 -0.95 116.57 121.36 2yqe h LYS 130 Ca -0.01 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.51 2yqe h LYS 130 Cb 0.19 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 31.77 2yqe h LYS 130 CO 0.01 0.43 0.00 -0.25 -2.06 0.00 0.00 179.45 177.58 2yqe n ASP 131 N -4.37 3.09 -4.07 0.86 8.00 -0.25 -4.90 116.55 114.91 2yqe n ASP 131 Ca 0.02 -2.33 -0.32 0.00 0.71 0.00 0.00 54.79 52.87 2yqe n ASP 131 Cb 0.17 -0.48 -0.08 0.00 -0.02 0.00 0.00 41.12 40.71 2yqe n ASP 131 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2yqe n ARG 132 N 0.47 -0.84 0.08 -1.24 1.74 -0.36 -4.75 116.66 111.77 2yqe n ARG 132 Ca 0.15 0.10 0.13 0.00 -0.77 0.00 0.00 57.85 57.45 2yqe n ARG 132 Cb 0.62 -3.57 0.46 0.00 -1.02 0.00 0.00 32.46 28.95 2yqe n ARG 132 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2yqe n ARG 133 N -3.76 0.19 -0.32 5.56 1.74 0.62 -3.81 116.66 116.87 2yqe n ARG 133 Ca -0.07 0.21 0.31 0.00 -0.77 0.00 0.00 57.85 57.53 2yqe n ARG 133 Cb 0.48 -1.74 0.56 0.00 -1.02 0.00 0.00 32.46 30.74 2yqe n ARG 133 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 2yqe n TRP 134 N -2.07 1.12 -0.18 -1.55 5.03 -1.26 0.13 117.44 118.66 2yqe n TRP 134 Ca 0.05 1.16 -0.03 0.00 3.03 0.00 0.00 57.50 61.71 2yqe n TRP 134 Cb 0.36 -1.54 0.06 0.00 -1.03 0.00 0.00 31.31 29.16 2yqe n TRP 134 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 2yqe h ALA 135 N 1.97 0.69 -0.07 6.99 0.00 -1.95 -0.74 119.26 126.15 2yqe h ALA 135 Ca 0.82 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.65 2yqe h ALA 135 Cb 2.16 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.90 2yqe h ALA 135 CO -0.77 -0.09 -0.40 -0.09 0.00 0.00 0.00 179.25 177.91 2yqe h ARG 136 N 0.51 0.40 -0.13 0.00 9.65 0.75 -2.36 114.38 123.21 2yqe h ARG 136 Ca 0.24 -0.33 0.04 0.00 -1.10 0.00 0.00 59.98 58.83 2yqe h ARG 136 Cb 0.17 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.82 2yqe h ARG 136 CO -0.18 0.97 0.18 0.28 2.80 0.00 0.00 179.97 184.02 2yqe h VAL 137 N -0.07 0.36 0.00 0.20 2.07 -0.77 -0.40 116.25 117.65 2yqe h VAL 137 Ca -0.03 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 2yqe h VAL 137 Cb 1.05 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 2yqe h VAL 137 CO 0.08 0.00 -0.44 0.00 0.02 0.00 0.00 177.57 177.24 2yqe h ALA 138 N 1.77 0.06 -0.44 1.67 0.00 -1.07 -3.36 119.26 117.90 2yqe h ALA 138 Ca 0.06 -0.54 0.13 0.00 0.00 0.00 0.00 54.91 54.56 2yqe h ALA 138 Cb 0.41 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2yqe h ALA 138 CO -0.00 0.30 0.33 0.37 0.00 0.00 0.00 179.25 180.25 2yqe h GLN 139 N -1.00 0.00 -0.86 0.00 4.15 -1.10 -0.61 115.11 115.70 2yqe h GLN 139 Ca -0.08 0.00 0.14 0.00 0.77 0.00 0.00 58.65 59.48 2yqe h GLN 139 Cb 0.67 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.30 2yqe h GLN 139 CO -0.05 0.00 0.56 0.00 -1.93 0.00 0.00 178.83 177.41 2yqe h ARG 140 N 0.00 0.61 -0.49 1.69 2.47 -1.22 0.46 114.38 117.91 2yqe h ARG 140 Ca 0.21 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.89 2yqe h ARG 140 Cb 0.86 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.04 2yqe h ARG 140 CO -0.00 0.40 0.00 -0.11 0.56 0.00 0.00 179.97 180.82 2yqe n LEU 141 N -4.54 1.17 -2.26 3.04 7.94 -0.24 -4.85 117.00 117.27 2yqe n LEU 141 Ca 0.16 -0.59 -0.12 0.00 -1.11 0.00 0.00 56.01 54.36 2yqe n LEU 141 Cb 0.48 -0.29 0.05 0.00 0.53 0.00 0.00 43.42 44.19 2yqe n LEU 141 CO 0.30 0.23 0.11 1.41 -1.11 0.00 0.00 177.39 178.33 2yqe n HIS 142 N -0.03 -1.43 -3.22 1.96 8.25 0.16 -5.03 115.22 115.88 2yqe n HIS 142 Ca 0.04 0.54 -0.26 0.00 -0.26 0.00 0.00 57.72 57.79 2yqe n HIS 142 Cb 0.24 -3.43 -0.02 0.00 1.12 0.00 0.00 29.99 27.91 2yqe n HIS 142 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2yqe s TYR 143 N -3.19 3.51 -0.33 4.41 2.02 -1.21 -5.02 117.35 117.54 2yqe s TYR 143 Ca 0.19 0.53 -0.29 0.00 -0.37 0.00 0.00 57.07 57.14 2yqe s TYR 143 Cb -0.08 -2.04 -0.01 0.00 -0.40 0.00 0.00 41.96 39.42 2yqe s TYR 143 CO 0.40 0.06 1.69 -1.25 -1.57 0.00 0.00 175.55 174.88 2yqe s PRO 144 N -4.16 3.46 -0.46 -1.71 0.04 -1.26 -4.67 135.00 126.23 2yqe s PRO 144 Ca 0.43 1.36 -0.28 0.00 0.04 0.00 0.00 61.00 62.55 2yqe s PRO 144 Cb -0.10 -4.13 -0.02 0.00 0.04 0.00 0.00 34.50 30.29 2yqe s PRO 144 CO 0.36 -1.70 1.77 -1.25 0.04 0.00 0.00 177.00 176.21 2yqe s PRO 145 N 5.35 3.07 0.00 0.56 0.04 -1.26 -3.72 135.00 139.03 2yqe s PRO 145 Ca 0.75 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.79 2yqe s PRO 145 Cb -0.21 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 30.08 2yqe s PRO 145 CO 0.33 -2.19 0.00 0.41 0.04 0.00 0.00 177.00 175.59 2yqe n GLY 146 N 5.49 1.30 3.74 0.56 0.00 -1.26 -5.13 105.19 109.88 2yqe n GLY 146 Ca 0.21 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 2yqe n GLY 146 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2yqe s LYS 147 N 0.00 2.65 -1.12 1.61 2.36 -1.24 -4.82 119.74 119.17 2yqe s LYS 147 Ca 0.00 1.97 -0.24 0.00 -2.55 0.00 0.00 55.97 55.15 2yqe s LYS 147 Cb 0.00 -1.87 -0.13 0.00 -1.05 0.00 0.00 37.83 34.78 2yqe s LYS 147 CO 0.00 -1.50 2.01 1.21 1.55 0.00 0.00 175.35 178.62 2yqe s ASN 148 N -1.50 4.51 -0.22 1.43 2.47 -1.26 -4.60 114.94 115.78 2yqe s ASN 148 Ca 0.81 -1.32 -0.17 0.00 0.42 0.00 0.00 52.86 52.60 2yqe s ASN 148 Cb -0.35 -2.59 -0.13 0.00 -1.45 0.00 0.00 41.25 36.74 2yqe s ASN 148 CO 0.38 -3.60 -0.12 -0.38 -3.72 0.00 0.00 177.10 169.66 2yqe n ILE 149 N 8.22 1.51 -0.30 -5.21 5.41 -1.26 -4.12 119.36 123.61 2yqe n ILE 149 Ca 0.43 -0.10 0.01 0.00 1.00 0.00 0.00 62.75 64.09 2yqe n ILE 149 Cb 0.47 -2.08 0.05 0.00 -0.71 0.00 0.00 39.64 37.37 2yqe n ILE 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2yqe n GLY 150 N 1.40 -1.57 0.43 7.39 0.00 -1.26 -0.41 105.19 111.16 2yqe n GLY 150 Ca -0.34 0.89 -0.18 0.00 0.00 0.00 0.00 46.02 46.39 2yqe n GLY 150 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2yqe h SER 151 N 0.00 -1.03 -0.82 1.61 0.02 -1.96 -2.19 113.55 109.19 2yqe h SER 151 Ca 0.31 0.07 0.16 0.00 -0.84 0.00 0.00 61.79 61.48 2yqe h SER 151 Cb 0.51 0.31 -0.15 0.00 0.14 0.00 0.00 62.40 63.20 2yqe h SER 151 CO -0.80 -0.61 -0.21 0.25 -1.14 0.00 0.00 176.83 174.31 2yqe h LEU 152 N -0.95 -0.79 0.23 5.07 6.46 -0.89 -1.53 115.31 122.91 2yqe h LEU 152 Ca -0.07 0.25 -0.01 0.00 -0.12 0.00 0.00 57.88 57.93 2yqe h LEU 152 Cb 0.79 0.52 -0.01 0.00 -0.73 0.00 0.00 40.66 41.23 2yqe h LEU 152 CO 0.05 -0.27 -0.21 -0.07 -0.62 0.00 0.00 178.44 177.32 2yqe h LEU 153 N -0.01 -0.57 -0.91 2.25 3.38 -0.96 -1.77 115.31 116.72 2yqe h LEU 153 Ca 0.39 0.04 0.18 0.00 0.09 0.00 0.00 57.88 58.58 2yqe h LEU 153 Cb 0.60 0.19 -0.17 0.00 0.09 0.00 0.00 40.66 41.36 2yqe h LEU 153 CO -0.84 -0.28 -0.24 -1.14 0.09 0.00 0.00 178.44 176.03 2yqe n ARG 154 N -3.60 -0.09 0.03 1.13 0.63 -0.78 -1.24 116.66 112.74 2yqe n ARG 154 Ca -0.05 1.42 -0.01 0.00 -0.92 0.00 0.00 57.85 58.28 2yqe n ARG 154 Cb 0.19 -2.11 -0.01 0.00 0.45 0.00 0.00 32.46 30.98 2yqe n ARG 154 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 2yqe h SER 155 N 0.00 -0.11 -0.94 6.15 0.02 -1.04 -1.29 113.55 116.33 2yqe h SER 155 Ca 0.43 0.01 0.33 0.00 -0.84 0.00 0.00 61.79 61.72 2yqe h SER 155 Cb 0.65 0.03 -0.17 0.00 0.14 0.00 0.00 62.40 63.06 2yqe h SER 155 CO -0.93 -0.06 0.28 1.41 -1.14 0.00 0.00 176.83 176.39 2yqe n HIS 156 N -2.47 0.87 0.20 3.45 8.25 -0.52 0.89 115.22 125.89 2yqe n HIS 156 Ca -0.01 1.12 -0.08 0.00 -0.26 0.00 0.00 57.72 58.50 2yqe n HIS 156 Cb 0.04 -1.37 -0.04 0.00 1.12 0.00 0.00 29.99 29.74 2yqe n HIS 156 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 2yqe h TYR 157 N 0.00 -0.47 0.00 4.41 5.03 -0.81 0.20 116.97 125.32 2yqe h TYR 157 Ca 0.70 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.99 2yqe h TYR 157 Cb 1.69 0.16 0.00 0.00 1.55 0.00 0.00 36.73 40.12 2yqe h TYR 157 CO -0.23 -0.29 0.00 0.39 -1.32 0.00 0.00 178.16 176.71 2yqe n GLU 158 N -3.39 0.01 -0.08 1.82 1.02 -0.18 0.22 120.64 120.06 2yqe n GLU 158 Ca -0.06 0.43 -0.12 0.00 -0.02 0.00 0.00 57.16 57.38 2yqe n GLU 158 Cb 0.20 -1.52 -0.08 0.00 -0.02 0.00 0.00 31.44 30.02 2yqe n GLU 158 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2yqe h ARG 159 N 0.00 0.00 0.00 3.49 2.43 0.95 -3.35 114.38 117.89 2yqe h ARG 159 Ca 0.00 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.97 2yqe h ARG 159 Cb 0.08 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 2yqe h ARG 159 CO 0.00 0.62 -1.77 -0.89 -1.51 0.00 0.00 179.97 176.42 2yqe n ILE 160 N -4.58 0.78 1.44 1.20 5.41 0.65 -4.49 119.36 119.77 2yqe n ILE 160 Ca -0.16 -0.31 0.13 0.00 1.00 0.00 0.00 62.75 63.41 2yqe n ILE 160 Cb 0.43 -0.96 0.71 0.00 -0.71 0.00 0.00 39.64 39.10 2yqe n ILE 160 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2yqe n ILE 161 N -2.86 0.09 0.18 1.39 5.41 0.61 -3.25 119.36 120.92 2yqe n ILE 161 Ca -0.24 0.02 -0.08 0.00 1.00 0.00 0.00 62.75 63.45 2yqe n ILE 161 Cb 0.76 -0.62 -0.04 0.00 -0.71 0.00 0.00 39.64 39.04 2yqe n ILE 161 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 2yqe h TYR 162 N 0.00 -0.49 -0.35 1.39 3.20 -0.31 -2.62 116.97 117.80 2yqe h TYR 162 Ca 0.00 -0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.71 2yqe h TYR 162 Cb 0.09 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 2yqe h TYR 162 CO 0.00 -0.30 -0.35 -1.00 -1.64 0.00 0.00 178.16 174.87 2yqe h PRO 163 N -1.11 0.85 0.00 1.82 0.13 -1.84 -2.54 132.00 129.31 2yqe h PRO 163 Ca -0.05 -0.45 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 2yqe h PRO 163 Cb 0.40 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.55 2yqe h PRO 163 CO 0.09 1.09 -0.13 -0.92 -0.23 0.00 0.00 178.00 177.89 2yqe h TYR 164 N 0.64 0.00 0.14 1.56 3.20 -1.70 -1.23 116.97 119.58 2yqe h TYR 164 Ca 0.06 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 2yqe h TYR 164 Cb 0.93 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.20 2yqe h TYR 164 CO 0.07 0.13 -0.07 0.93 -1.64 0.00 0.00 178.16 177.58 2yqe h GLU 165 N 0.00 -0.18 -0.20 1.82 4.39 -1.33 -2.24 114.58 116.83 2yqe h GLU 165 Ca -0.00 0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.77 2yqe h GLU 165 Cb 0.27 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2yqe h GLU 165 CO 0.02 -0.04 0.23 0.00 -1.16 0.00 0.00 179.01 178.06 2yqe h MET 166 N -1.04 0.00 0.01 2.33 -0.00 -1.41 -1.83 114.93 112.99 2yqe h MET 166 Ca -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.66 2yqe h MET 166 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.83 2yqe h MET 166 CO 0.03 0.00 -0.09 0.35 -0.00 0.00 0.00 176.91 177.20 2yqe h PHE 167 N 0.00 0.07 -0.46 -0.10 3.57 -1.29 -3.34 116.94 115.40 2yqe h PHE 167 Ca 0.10 -0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.63 2yqe h PHE 167 Cb 0.56 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.23 2yqe h PHE 167 CO 0.00 0.95 0.03 1.96 -2.23 0.00 0.00 178.31 179.03 2yqe h GLN 168 N -0.83 0.15 -5.51 1.11 1.08 -0.71 -3.37 115.11 107.04 2yqe h GLN 168 Ca -0.01 -0.01 -0.28 0.00 -1.45 0.00 0.00 58.65 56.89 2yqe h GLN 168 Cb 0.99 -0.03 0.01 0.00 -0.05 0.00 0.00 27.48 28.39 2yqe h GLN 168 CO 0.02 0.10 1.00 0.45 -0.95 0.00 0.00 178.83 179.44 2yqe s SER 169 N -5.27 4.20 -0.05 1.46 0.15 -0.89 -4.77 113.70 108.53 2yqe s SER 169 Ca -0.13 0.68 -0.04 0.00 0.70 0.00 0.00 55.95 57.15 2yqe s SER 169 Cb 0.15 -2.52 -0.01 0.00 -1.71 0.00 0.00 66.02 61.93 2yqe s SER 169 CO 0.72 -3.29 -0.08 0.61 1.20 0.00 0.00 173.24 172.40 2yqe n GLY 170 N 6.32 -0.64 0.83 9.45 0.00 -1.26 -4.97 105.19 114.93 2yqe n GLY 170 Ca 0.41 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.48 2yqe n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32