#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ul4 s ARG 52 N 0.00 2.59 -0.07 1.96 3.00 -1.26 -4.21 118.95 120.96 1ul4 s ARG 52 Ca 0.00 -0.31 0.07 0.00 0.00 0.00 0.00 55.73 55.49 1ul4 s ARG 52 Cb 0.00 -5.07 -0.11 0.00 0.00 0.00 0.00 34.95 29.77 1ul4 s ARG 52 CO 0.00 -3.34 0.06 1.28 0.00 0.00 0.00 175.30 173.30 1ul4 n LEU 53 N 13.82 0.00 -4.68 2.53 4.77 -1.26 -5.01 117.00 127.18 1ul4 n LEU 53 Ca 0.40 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.92 1ul4 n LEU 53 Cb 0.47 0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.68 1ul4 n LEU 53 CO 0.60 0.16 1.24 0.00 -1.33 0.00 0.00 177.39 178.05 1ul4 h GLN 55 N 6.22 0.00 -6.88 0.00 3.07 -1.25 -3.46 115.11 112.82 1ul4 h GLN 55 Ca -0.45 0.00 -0.56 0.00 0.09 0.00 0.00 58.65 57.73 1ul4 h GLN 55 Cb 1.25 0.00 0.13 0.00 0.08 0.00 0.00 27.48 28.93 1ul4 h GLN 55 CO 0.90 0.59 0.53 0.28 0.09 0.00 0.00 178.83 181.22 1ul4 n VAL 56 N -3.28 2.74 -2.56 1.86 0.31 -1.26 -4.99 118.33 111.15 1ul4 n VAL 56 Ca 0.01 -0.50 -0.27 0.00 -0.01 0.00 0.00 64.34 63.57 1ul4 n VAL 56 Cb 0.76 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 1ul4 n VAL 56 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1ul4 s ASP 57 N -0.57 6.17 -1.80 4.52 1.01 -1.26 -4.03 116.67 120.70 1ul4 s ASP 57 Ca 0.62 0.92 0.00 0.00 0.71 0.00 0.00 52.55 54.80 1ul4 s ASP 57 Cb -0.49 -2.18 0.00 0.00 1.01 0.00 0.00 42.92 41.26 1ul4 s ASP 57 CO 0.57 -0.66 0.00 0.54 0.21 0.00 0.00 175.17 175.83 1ul4 n ARG 58 N -2.33 -1.25 -3.30 8.23 3.00 -1.26 -4.97 116.66 114.78 1ul4 n ARG 58 Ca 0.01 1.07 -0.37 0.00 -0.01 0.00 0.00 57.85 58.56 1ul4 n ARG 58 Cb 0.55 -5.36 -0.06 0.00 0.00 0.00 0.00 32.46 27.60 1ul4 n ARG 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ul4 n THR 60 N 1.23 0.00 -3.15 0.00 -2.24 -1.26 -5.08 114.28 103.78 1ul4 n THR 60 Ca -0.07 -0.52 -0.40 0.00 -2.27 0.00 0.00 64.05 60.79 1ul4 n THR 60 Cb 0.51 0.74 -0.06 0.00 -2.10 0.00 0.00 70.33 69.42 1ul4 n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ul4 s ALA 61 N 0.00 3.56 -0.21 6.98 0.00 -1.26 -5.01 121.76 125.83 1ul4 s ALA 61 Ca 0.18 -0.36 -0.29 0.00 0.00 0.00 0.00 51.96 51.49 1ul4 s ALA 61 Cb 0.20 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 1ul4 s ALA 61 CO -0.09 -0.59 1.98 0.34 0.00 0.00 0.00 175.76 177.40 1ul4 s ASP 62 N 1.27 5.86 -0.51 0.00 -1.08 -1.26 -4.85 116.67 116.09 1ul4 s ASP 62 Ca 0.27 1.83 0.01 0.00 -0.52 0.00 0.00 52.55 54.13 1ul4 s ASP 62 Cb -0.16 -2.52 0.50 0.00 -1.46 0.00 0.00 42.92 39.29 1ul4 s ASP 62 CO 0.10 -1.65 1.94 0.23 0.52 0.00 0.00 175.17 176.31 1ul4 n MET 63 N 8.32 2.34 0.12 4.34 2.81 -1.26 -4.48 117.12 129.31 1ul4 n MET 63 Ca 0.25 -2.87 -0.02 0.00 -1.81 0.00 0.00 57.70 53.25 1ul4 n MET 63 Cb 0.45 -2.12 0.19 0.00 -0.71 0.00 0.00 33.22 31.02 1ul4 n MET 63 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1ul4 h LYS 64 N 1.43 0.12 -1.01 0.03 3.64 -1.89 -3.15 116.57 115.75 1ul4 h LYS 64 Ca 0.57 -0.07 -0.62 0.00 -1.27 0.00 0.00 60.65 59.25 1ul4 h LYS 64 Cb 1.72 0.01 -0.36 0.00 -0.41 0.00 0.00 32.23 33.19 1ul4 h LYS 64 CO 1.24 0.64 0.03 0.39 -2.27 0.00 0.00 179.45 179.47 1ul4 n GLU 65 N -3.90 3.16 -1.93 1.90 1.02 -1.26 -4.99 120.64 114.64 1ul4 n GLU 65 Ca -0.02 -3.79 -0.30 0.00 -0.02 0.00 0.00 57.16 53.04 1ul4 n GLU 65 Cb 0.56 -2.28 0.19 0.00 -0.02 0.00 0.00 31.44 29.90 1ul4 n GLU 65 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ul4 s ALA 66 N -3.73 2.19 0.37 0.62 0.00 -1.19 -5.11 121.76 114.92 1ul4 s ALA 66 Ca 0.57 -1.24 0.05 0.00 0.00 0.00 0.00 51.96 51.33 1ul4 s ALA 66 Cb 0.45 -2.76 -0.02 0.00 0.00 0.00 0.00 23.12 20.79 1ul4 s ALA 66 CO -0.03 -2.51 0.18 1.17 0.00 0.00 0.00 175.76 174.57 1ul4 n LYS 67 N -3.81 0.52 0.29 0.00 4.81 -1.26 -4.97 118.16 113.75 1ul4 n LYS 67 Ca 0.16 -3.32 0.17 0.00 -0.87 0.00 0.00 58.31 54.45 1ul4 n LYS 67 Cb 0.59 2.09 0.89 0.00 0.02 0.00 0.00 35.03 38.63 1ul4 n LYS 67 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1ul4 h LEU 68 N 0.00 0.00 -0.01 3.14 3.38 -1.99 0.83 115.31 120.66 1ul4 h LEU 68 Ca -0.28 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.50 1ul4 h LEU 68 Cb 1.18 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 1ul4 h LEU 68 CO 0.44 0.05 -0.91 0.22 0.09 0.00 0.00 178.44 178.33 1ul4 h TYR 69 N 0.00 0.00 0.00 1.13 3.20 -1.97 -1.91 116.97 117.42 1ul4 h TYR 69 Ca -0.00 0.00 -0.32 0.00 3.14 0.00 0.00 58.73 61.55 1ul4 h TYR 69 Cb 0.22 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.43 1ul4 h TYR 69 CO 0.00 0.91 -2.21 0.72 -1.64 0.00 0.00 178.16 175.94 1ul4 n HIS 70 N -3.34 0.21 -0.01 -3.82 8.25 -0.71 -3.88 115.22 111.93 1ul4 n HIS 70 Ca 0.00 0.07 -0.17 0.00 -0.26 0.00 0.00 57.72 57.37 1ul4 n HIS 70 Cb 0.90 -1.00 -0.14 0.00 1.12 0.00 0.00 29.99 30.87 1ul4 n HIS 70 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ul4 h ARG 71 N 0.00 0.16 -0.82 -0.41 3.08 0.54 0.24 114.38 117.17 1ul4 h ARG 71 Ca -0.45 -0.27 0.02 0.00 0.07 0.00 0.00 59.98 59.35 1ul4 h ARG 71 Cb 2.10 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 32.20 1ul4 h ARG 71 CO 0.04 1.13 0.54 -0.09 -1.07 0.00 0.00 179.97 180.51 1ul4 h ARG 72 N -0.67 1.05 0.00 0.04 2.43 -1.51 -1.48 114.38 114.23 1ul4 h ARG 72 Ca -0.07 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1ul4 h ARG 72 Cb 1.33 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1ul4 h ARG 72 CO 0.08 0.69 -0.18 0.72 -1.51 0.00 0.00 179.97 179.78 1ul4 n HIS 73 N -4.54 0.29 -3.50 2.20 8.25 -1.25 -4.94 115.22 111.74 1ul4 n HIS 73 Ca 0.09 0.09 -0.21 0.00 -0.26 0.00 0.00 57.72 57.42 1ul4 n HIS 73 Cb 0.04 -0.58 0.08 0.00 1.12 0.00 0.00 29.99 30.65 1ul4 n HIS 73 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1ul4 n LYS 74 N -1.76 -7.30 -3.81 -0.41 5.02 -0.56 -4.88 118.16 104.46 1ul4 n LYS 74 Ca 0.06 0.79 -0.12 0.00 -2.02 0.00 0.00 58.31 57.01 1ul4 n LYS 74 Cb 0.37 -5.70 -0.11 0.00 -0.02 0.00 0.00 35.03 29.58 1ul4 n LYS 74 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ul4 s VAL 75 N -3.31 0.03 0.62 -0.18 0.11 -0.01 -0.69 120.40 116.97 1ul4 s VAL 75 Ca 0.44 -0.28 0.04 0.00 -2.93 0.00 0.00 61.98 59.25 1ul4 s VAL 75 Cb -0.20 -0.39 0.09 0.00 -1.53 0.00 0.00 36.38 34.35 1ul4 s VAL 75 CO 0.69 -0.15 0.85 0.00 -3.33 0.00 0.00 175.10 173.15 1ul4 h GLU 77 N -0.08 0.12 0.00 0.00 4.81 -1.97 0.88 114.58 118.34 1ul4 h GLU 77 Ca -0.35 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 58.80 1ul4 h GLU 77 Cb 1.28 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 1ul4 h GLU 77 CO 0.42 0.56 -0.08 0.28 -0.73 0.00 0.00 179.01 179.47 1ul4 h VAL 78 N 0.10 0.90 0.00 0.32 2.07 -1.99 -0.56 116.25 117.10 1ul4 h VAL 78 Ca 0.00 -0.29 -0.18 0.00 0.82 0.00 0.00 66.70 67.05 1ul4 h VAL 78 Cb 0.86 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 1ul4 h VAL 78 CO 0.07 0.08 -1.68 1.41 0.02 0.00 0.00 177.57 177.47 1ul4 n HIS 79 N -4.22 0.00 0.05 1.57 8.25 -1.08 -3.88 115.22 115.91 1ul4 n HIS 79 Ca -0.03 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.38 1ul4 n HIS 79 Cb 0.16 -0.49 0.15 0.00 1.12 0.00 0.00 29.99 30.93 1ul4 n HIS 79 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ul4 h ALA 80 N 0.50 0.93 0.18 -1.41 0.00 0.85 -2.50 119.26 117.82 1ul4 h ALA 80 Ca -0.27 -0.46 -0.35 0.00 0.00 0.00 0.00 54.91 53.83 1ul4 h ALA 80 Cb 1.60 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.30 1ul4 h ALA 80 CO 0.01 0.65 -1.78 -0.22 0.00 0.00 0.00 179.25 177.91 1ul4 h LYS 81 N 0.30 0.38 -0.27 0.00 3.64 -1.29 -3.33 116.57 116.00 1ul4 h LYS 81 Ca 0.02 -0.64 0.01 0.00 -1.27 0.00 0.00 60.65 58.77 1ul4 h LYS 81 Cb 0.93 0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1ul4 h LYS 81 CO 0.08 1.31 0.18 0.00 -2.27 0.00 0.00 179.45 178.74 1ul4 h ALA 82 N 0.10 1.86 0.00 5.00 0.00 -1.67 -3.45 119.26 121.10 1ul4 h ALA 82 Ca -0.36 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1ul4 h ALA 82 Cb 2.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.78 1ul4 h ALA 82 CO 0.16 0.12 0.00 0.43 0.00 0.00 0.00 179.25 179.97 1ul4 n SER 83 N -4.50 0.00 -4.58 0.00 7.64 -0.94 -4.75 113.62 106.49 1ul4 n SER 83 Ca 0.01 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.47 1ul4 n SER 83 Cb 0.10 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.28 1ul4 n SER 83 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ul4 s SER 84 N 0.00 6.25 0.22 6.43 1.04 -1.26 -3.59 113.70 122.80 1ul4 s SER 84 Ca 0.00 0.31 0.11 0.00 0.48 0.00 0.00 55.95 56.84 1ul4 s SER 84 Cb 0.00 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.53 1ul4 s SER 84 CO 0.00 -1.60 -0.20 -0.69 0.98 0.00 0.00 173.24 171.73 1ul4 s VAL 85 N 5.64 2.22 -0.92 5.02 1.01 -0.07 -4.93 120.40 128.37 1ul4 s VAL 85 Ca 0.51 -2.19 -0.19 0.00 0.00 0.00 0.00 61.98 60.11 1ul4 s VAL 85 Cb -0.10 -2.13 0.12 0.00 0.00 0.00 0.00 36.38 34.27 1ul4 s VAL 85 CO 0.26 -0.33 1.14 0.12 0.00 0.00 0.00 175.10 176.29 1ul4 s PHE 86 N -2.26 3.05 -0.09 5.22 5.36 -1.26 -0.70 117.98 127.31 1ul4 s PHE 86 Ca 0.24 -1.30 0.03 0.00 -0.96 0.00 0.00 56.93 54.94 1ul4 s PHE 86 Cb -0.05 -4.31 -0.01 0.00 -0.34 0.00 0.00 43.02 38.30 1ul4 s PHE 86 CO 0.11 -1.53 -0.18 -1.17 -1.46 0.00 0.00 175.22 170.99 1ul4 s LEU 87 N 2.93 2.46 -1.35 6.12 2.96 0.85 -4.64 118.68 128.00 1ul4 s LEU 87 Ca 0.33 -0.38 -0.08 0.00 -0.22 0.00 0.00 54.13 53.78 1ul4 s LEU 87 Cb -0.05 -1.50 0.01 0.00 0.50 0.00 0.00 46.19 45.14 1ul4 s LEU 87 CO -0.08 0.23 1.12 -1.20 -1.32 0.00 0.00 176.35 175.10 1ul4 n SER 88 N 3.07 -6.32 -2.24 3.68 7.64 -1.26 -1.67 113.62 116.52 1ul4 n SER 88 Ca -0.18 -0.51 -0.21 0.00 1.01 0.00 0.00 58.87 58.98 1ul4 n SER 88 Cb 0.52 -4.96 -0.03 0.00 -1.01 0.00 0.00 64.21 58.74 1ul4 n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ul4 n GLY 89 N -1.96 0.00 3.48 0.23 0.00 -1.26 -4.95 105.19 100.73 1ul4 n GLY 89 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1ul4 n GLY 89 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ul4 s LEU 90 N -5.78 0.47 -0.34 0.99 0.20 -0.67 -5.13 118.68 108.43 1ul4 s LEU 90 Ca 0.00 -0.77 -0.23 0.00 0.69 0.00 0.00 54.13 53.81 1ul4 s LEU 90 Cb 0.00 1.68 0.01 0.00 -0.43 0.00 0.00 46.19 47.44 1ul4 s LEU 90 CO 0.00 -1.03 0.79 0.20 -0.29 0.00 0.00 176.35 176.03 1ul4 s ASN 91 N -2.96 6.61 0.30 3.68 -0.87 -1.26 -0.10 114.94 120.34 1ul4 s ASN 91 Ca 0.17 0.52 0.09 0.00 -1.57 0.00 0.00 52.86 52.07 1ul4 s ASN 91 Cb 0.01 -2.41 -0.06 0.00 -0.02 0.00 0.00 41.25 38.77 1ul4 s ASN 91 CO 0.02 -0.68 -0.12 -1.10 -2.57 0.00 0.00 177.10 172.65 1ul4 s GLN 92 N 3.06 1.68 0.16 -0.60 -0.21 0.13 -2.04 119.66 121.83 1ul4 s GLN 92 Ca 0.32 -1.82 0.08 0.00 0.02 0.00 0.00 55.36 53.96 1ul4 s GLN 92 Cb -0.14 -1.56 -0.04 0.00 1.00 0.00 0.00 33.01 32.28 1ul4 s GLN 92 CO 0.15 0.18 -0.17 1.03 -2.12 0.00 0.00 175.29 174.36 1ul4 s ARG 93 N -3.61 1.22 -0.06 2.91 0.52 0.55 -0.89 118.95 119.59 1ul4 s ARG 93 Ca 0.30 -1.38 -0.30 0.00 -0.52 0.00 0.00 55.73 53.83 1ul4 s ARG 93 Cb 0.00 -1.20 -0.03 0.00 0.52 0.00 0.00 34.95 34.24 1ul4 s ARG 93 CO 0.14 0.24 1.22 0.12 0.02 0.00 0.00 175.30 177.04 1ul4 s PHE 94 N -2.16 3.14 -0.49 -0.53 5.36 -1.24 -0.68 117.98 121.38 1ul4 s PHE 94 Ca 0.15 1.17 -0.10 0.00 -0.96 0.00 0.00 56.93 57.19 1ul4 s PHE 94 Cb -0.05 -3.44 0.12 0.00 -0.34 0.00 0.00 43.02 39.31 1ul4 s PHE 94 CO 0.06 -1.42 0.37 0.00 -1.46 0.00 0.00 175.22 172.77 1ul4 h GLN 96 N 8.48 0.00 -0.57 0.00 1.08 -1.90 0.19 115.11 122.38 1ul4 h GLN 96 Ca -0.21 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 56.99 1ul4 h GLN 96 Cb 1.07 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.48 1ul4 h GLN 96 CO 0.88 0.06 0.37 0.37 -0.95 0.00 0.00 178.83 179.56 1ul4 h GLN 97 N 0.00 0.75 -0.28 1.46 4.15 -1.91 -2.94 115.11 116.34 1ul4 h GLN 97 Ca -0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1ul4 h GLN 97 Cb 0.14 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.66 1ul4 h GLN 97 CO 0.01 0.50 0.00 0.00 -1.93 0.00 0.00 178.83 177.41 1ul4 n SER 99 N -0.11 -2.99 -3.48 0.00 2.88 0.60 -4.88 113.62 105.64 1ul4 n SER 99 Ca 0.16 0.24 -0.21 0.00 -1.33 0.00 0.00 58.87 57.73 1ul4 n SER 99 Cb 0.67 -2.74 -0.07 0.00 -0.75 0.00 0.00 64.21 61.33 1ul4 n SER 99 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1ul4 n ARG 100 N -1.43 0.55 -3.54 -1.46 1.85 -0.86 -4.91 116.66 106.86 1ul4 n ARG 100 Ca -0.10 -3.07 -0.24 0.00 -1.00 0.00 0.00 57.85 53.44 1ul4 n ARG 100 Cb 0.35 1.87 -0.02 0.00 -1.05 0.00 0.00 32.46 33.62 1ul4 n ARG 100 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1ul4 s PHE 101 N -3.00 3.49 0.08 2.89 0.40 -1.26 0.13 117.98 120.71 1ul4 s PHE 101 Ca 0.23 0.27 -0.06 0.00 -0.60 0.00 0.00 56.93 56.77 1ul4 s PHE 101 Cb 0.01 -1.82 -0.02 0.00 0.51 0.00 0.00 43.02 41.70 1ul4 s PHE 101 CO 0.16 0.22 0.11 -1.01 0.70 0.00 0.00 175.22 175.40 1ul4 s HIS 102 N -2.20 0.31 0.84 0.36 3.76 0.14 -4.82 115.29 113.68 1ul4 s HIS 102 Ca 0.39 -0.78 -0.11 0.00 -0.15 0.00 0.00 55.06 54.40 1ul4 s HIS 102 Cb -0.10 -0.19 0.10 0.00 1.11 0.00 0.00 32.58 33.51 1ul4 s HIS 102 CO 0.34 -0.49 1.14 0.34 -0.85 0.00 0.00 174.74 175.22 1ul4 s ASP 103 N -2.89 3.59 0.32 1.40 2.15 -1.26 -0.33 116.67 119.64 1ul4 s ASP 103 Ca 0.07 2.13 0.26 0.00 0.43 0.00 0.00 52.55 55.44 1ul4 s ASP 103 Cb 0.06 -2.56 1.04 0.00 -0.30 0.00 0.00 42.92 41.16 1ul4 s ASP 103 CO -0.10 -2.66 1.77 -0.07 -0.17 0.00 0.00 175.17 173.94 1ul4 h LEU 104 N -1.35 0.00 -2.21 -1.34 3.38 -1.76 -2.71 115.31 109.32 1ul4 h LEU 104 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1ul4 h LEU 104 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1ul4 h LEU 104 CO 0.46 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.99 1ul4 n GLN 105 N -2.42 2.88 -0.05 1.13 6.02 -1.26 -3.86 117.38 119.82 1ul4 n GLN 105 Ca 0.02 -1.59 -0.06 0.00 -0.01 0.00 0.00 57.00 55.36 1ul4 n GLN 105 Cb 0.26 -1.83 -0.06 0.00 1.02 0.00 0.00 30.24 29.63 1ul4 n GLN 105 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1ul4 n GLU 106 N 0.36 1.66 -2.88 -1.09 1.02 -1.02 -5.03 120.64 113.66 1ul4 n GLU 106 Ca 0.14 0.02 -0.26 0.00 -0.02 0.00 0.00 57.16 57.04 1ul4 n GLU 106 Cb 0.69 -1.22 -0.00 0.00 -0.02 0.00 0.00 31.44 30.88 1ul4 n GLU 106 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1ul4 s PHE 107 N -2.22 3.50 0.34 -0.32 0.40 -1.25 -4.54 117.98 113.89 1ul4 s PHE 107 Ca -0.09 0.62 0.07 0.00 -0.60 0.00 0.00 56.93 56.93 1ul4 s PHE 107 Cb 0.03 -2.20 -0.02 0.00 0.51 0.00 0.00 43.02 41.34 1ul4 s PHE 107 CO 0.32 -0.19 0.36 0.34 0.70 0.00 0.00 175.22 176.75 1ul4 s ASP 108 N -4.10 5.54 0.48 1.36 -1.08 -0.99 -5.01 116.67 112.87 1ul4 s ASP 108 Ca 0.45 -0.39 0.13 0.00 -0.52 0.00 0.00 52.55 52.23 1ul4 s ASP 108 Cb -0.10 -1.06 1.13 0.00 -1.46 0.00 0.00 42.92 41.43 1ul4 s ASP 108 CO 0.42 -0.39 2.12 -0.33 0.52 0.00 0.00 175.17 177.51 1ul4 h GLU 109 N 1.11 0.18 0.00 4.34 5.08 -1.99 -3.28 114.58 120.02 1ul4 h GLU 109 Ca -0.45 -0.01 -0.27 0.00 -1.00 0.00 0.00 59.36 57.63 1ul4 h GLU 109 Cb 1.25 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.43 1ul4 h GLU 109 CO 0.56 0.12 -1.89 0.00 -1.00 0.00 0.00 179.01 176.80 1ul4 n ALA 110 N -2.52 1.08 -2.04 3.43 0.00 -1.26 -4.96 120.51 114.25 1ul4 n ALA 110 Ca -0.01 -0.98 -0.41 0.00 0.00 0.00 0.00 53.44 52.04 1ul4 n ALA 110 Cb 0.08 0.10 -0.03 0.00 0.00 0.00 0.00 19.45 19.60 1ul4 n ALA 110 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ul4 s LYS 111 N -2.67 4.44 -0.38 0.00 -0.14 -1.24 -4.95 119.74 114.80 1ul4 s LYS 111 Ca -0.34 1.96 0.05 0.00 -1.36 0.00 0.00 55.97 56.28 1ul4 s LYS 111 Cb 0.10 -3.22 0.45 0.00 -1.68 0.00 0.00 37.83 33.48 1ul4 s LYS 111 CO 0.46 -0.17 1.28 0.54 -0.76 0.00 0.00 175.35 176.70 1ul4 n ARG 112 N 2.60 3.46 -1.41 1.68 1.74 -1.26 -2.34 116.66 121.13 1ul4 n ARG 112 Ca 0.05 -4.14 0.00 0.00 -0.77 0.00 0.00 57.85 52.99 1ul4 n ARG 112 Cb 0.44 -2.27 0.00 0.00 -1.02 0.00 0.00 32.46 29.60 1ul4 n ARG 112 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1ul4 n SER 113 N -0.67 0.00 -4.88 0.55 7.64 -1.26 -4.89 113.62 110.11 1ul4 n SER 113 Ca 0.45 -0.71 -0.29 0.00 1.01 0.00 0.00 58.87 59.33 1ul4 n SER 113 Cb 0.84 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 64.03 1ul4 n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ul4 h ARG 115 N 0.55 0.00 -6.71 0.00 3.08 -1.97 -3.38 114.38 105.96 1ul4 h ARG 115 Ca -0.46 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.06 1ul4 h ARG 115 Cb 1.19 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.28 1ul4 h ARG 115 CO 0.62 0.73 0.64 0.50 -1.07 0.00 0.00 179.97 181.39 1ul4 s ARG 116 N -2.80 4.40 0.00 0.04 3.00 -1.26 -1.90 118.95 120.43 1ul4 s ARG 116 Ca 0.01 2.05 0.00 0.00 -1.00 0.00 0.00 55.73 56.79 1ul4 s ARG 116 Cb 0.09 -3.18 0.00 0.00 0.00 0.00 0.00 34.95 31.86 1ul4 s ARG 116 CO 0.79 -0.21 0.00 0.54 0.00 0.00 0.00 175.30 176.42 1ul4 n ARG 117 N 2.35 0.00 0.01 5.12 5.12 -1.26 -4.43 116.66 123.57 1ul4 n ARG 117 Ca 0.05 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.85 1ul4 n ARG 117 Cb 0.43 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.65 1ul4 n ARG 117 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1ul4 h LEU 118 N 0.00 -1.39 -9.21 0.55 5.85 -1.76 -3.39 115.31 105.97 1ul4 h LEU 118 Ca 0.00 0.16 -0.56 0.00 0.84 0.00 0.00 57.88 58.32 1ul4 h LEU 118 Cb 0.00 0.54 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1ul4 h LEU 118 CO 0.00 -0.40 0.92 0.00 -0.34 0.00 0.00 178.44 178.62 1ul4 s ALA 119 N -5.30 3.63 0.00 1.25 0.00 -0.80 -4.52 121.76 116.03 1ul4 s ALA 119 Ca -0.13 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1ul4 s ALA 119 Cb 0.06 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1ul4 s ALA 119 CO 0.49 -1.17 0.00 0.41 0.00 0.00 0.00 175.76 175.49 1ul4 n GLY 120 N 3.71 0.17 1.08 0.00 0.00 -1.26 -4.81 105.19 104.07 1ul4 n GLY 120 Ca 0.14 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1ul4 n GLY 120 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ul4 n HIS 121 N 0.00 -0.06 -3.76 1.61 -0.00 -1.26 -4.93 115.22 106.81 1ul4 n HIS 121 Ca 0.00 0.01 -0.36 0.00 0.46 0.00 0.00 57.72 57.83 1ul4 n HIS 121 Cb 0.00 0.03 -0.11 0.00 -0.12 0.00 0.00 29.99 29.79 1ul4 n HIS 121 CO 0.00 0.00 0.00 -0.80 0.46 0.00 0.00 176.34 176.00 1ul4 s ASN 122 N -5.34 5.64 -0.13 0.26 -0.87 -1.26 -4.95 114.94 108.30 1ul4 s ASN 122 Ca 0.00 -0.03 0.02 0.00 -1.57 0.00 0.00 52.86 51.27 1ul4 s ASN 122 Cb 0.00 -2.01 -0.09 0.00 -0.02 0.00 0.00 41.25 39.13 1ul4 s ASN 122 CO 0.00 0.03 -0.10 1.21 -2.57 0.00 0.00 177.10 175.67 1ul4 n GLU 123 N 4.52 0.48 -2.42 -0.60 4.07 -1.26 -4.85 120.64 120.58 1ul4 n GLU 123 Ca -0.15 0.07 -0.37 0.00 -0.06 0.00 0.00 57.16 56.64 1ul4 n GLU 123 Cb 0.52 -1.26 -0.03 0.00 -0.06 0.00 0.00 31.44 30.61 1ul4 n GLU 123 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 1ul4 s ARG 124 N -2.26 3.35 -0.72 5.31 3.00 -1.26 -4.93 118.95 121.44 1ul4 s ARG 124 Ca -0.17 -1.07 -0.19 0.00 -1.00 0.00 0.00 55.73 53.31 1ul4 s ARG 124 Cb 0.04 -5.31 0.12 0.00 0.00 0.00 0.00 34.95 29.80 1ul4 s ARG 124 CO 0.31 -2.59 0.87 1.03 0.00 0.00 0.00 175.30 174.91 1ul4 s ARG 125 N 5.42 3.27 -0.60 5.12 1.81 -1.26 -5.00 118.95 127.71 1ul4 s ARG 125 Ca 0.54 -1.51 -0.23 0.00 -1.72 0.00 0.00 55.73 52.81 1ul4 s ARG 125 Cb -0.01 -4.45 0.06 0.00 -0.45 0.00 0.00 34.95 30.09 1ul4 s ARG 125 CO -0.04 -1.61 0.94 1.03 -0.68 0.00 0.00 175.30 174.93 1ul4 s ARG 126 N 2.57 3.21 0.36 3.54 1.81 -1.26 -5.00 118.95 124.18 1ul4 s ARG 126 Ca 0.20 -0.58 0.04 0.00 -1.72 0.00 0.00 55.73 53.66 1ul4 s ARG 126 Cb -0.16 -4.14 -0.01 0.00 -0.45 0.00 0.00 34.95 30.18 1ul4 s ARG 126 CO 0.01 -1.64 0.13 0.36 -0.68 0.00 0.00 175.30 173.48 1ul4 n LYS 127 N 7.52 0.62 -1.95 3.54 2.85 -1.26 -5.07 118.16 124.41 1ul4 n LYS 127 Ca -0.02 -3.07 -0.24 0.00 -1.05 0.00 0.00 58.31 53.94 1ul4 n LYS 127 Cb 0.46 1.67 0.03 0.00 -0.65 0.00 0.00 35.03 36.54 1ul4 n LYS 127 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1ul4 n SER 128 N -1.58 4.95 -4.72 -5.58 7.64 -1.26 -5.05 113.62 108.01 1ul4 n SER 128 Ca -0.05 -3.76 -0.42 0.00 1.01 0.00 0.00 58.87 55.65 1ul4 n SER 128 Cb 0.54 -0.37 -0.03 0.00 -1.01 0.00 0.00 64.21 63.34 1ul4 n SER 128 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ul4 s SER 129 N -3.52 6.58 0.00 6.43 0.01 -1.26 -4.08 113.70 117.86 1ul4 s SER 129 Ca 0.51 2.62 0.00 0.00 1.31 0.00 0.00 55.95 60.39 1ul4 s SER 129 Cb 0.41 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 64.05 1ul4 s SER 129 CO 0.04 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.47 1ul4 n GLY 130 N 3.77 1.64 3.97 3.44 0.00 -1.26 -5.29 105.19 111.45 1ul4 n GLY 130 Ca 0.14 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1ul4 n GLY 130 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11