#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 3.13 0.00 1.96 1.81 -1.26 -3.96 118.95 120.62 1ul4 s ARG 52 Ca 0.00 -0.19 0.00 0.00 -1.72 0.00 0.00 55.73 53.82 1ul4 s ARG 52 Cb 0.00 -4.34 0.00 0.00 -0.45 0.00 0.00 34.95 30.16 1ul4 s ARG 52 CO 0.00 -2.27 0.00 1.28 -0.68 0.00 0.00 175.30 173.63 1ul4 n LEU 53 N 9.94 1.50 -4.63 2.53 4.77 -1.26 -5.07 117.00 124.78 1ul4 n LEU 53 Ca 0.09 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.62 1ul4 n LEU 53 Cb 0.50 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 1ul4 n LEU 53 CO 0.70 0.22 0.81 0.00 -1.33 0.00 0.00 177.39 177.80 1ul4 h GLN 55 N 3.20 0.00 -6.90 0.00 -0.00 -0.37 -3.47 115.11 107.57 1ul4 h GLN 55 Ca -0.43 0.00 -0.56 0.00 -0.00 0.00 0.00 58.65 57.66 1ul4 h GLN 55 Cb 1.31 0.00 0.13 0.00 -0.00 0.00 0.00 27.48 28.92 1ul4 h GLN 55 CO 0.69 0.71 0.55 0.28 -0.00 0.00 0.00 178.83 181.06 1ul4 n VAL 56 N -3.21 2.82 -2.58 1.86 0.31 -1.26 -4.99 118.33 111.28 1ul4 n VAL 56 Ca -0.04 -0.50 -0.27 0.00 -0.01 0.00 0.00 64.34 63.52 1ul4 n VAL 56 Cb 0.91 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 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 -0.58 6.19 -1.65 4.52 1.01 -1.26 -4.03 116.67 120.88 1ul4 s ASP 57 Ca 0.63 0.92 0.00 0.00 0.71 0.00 0.00 52.55 54.81 1ul4 s ASP 57 Cb -0.48 -2.20 0.00 0.00 1.01 0.00 0.00 42.92 41.26 1ul4 s ASP 57 CO 0.56 -0.64 0.00 0.54 0.21 0.00 0.00 175.17 175.85 1ul4 n ARG 58 N -2.31 -1.09 -3.18 8.23 1.74 -1.26 -4.90 116.66 113.88 1ul4 n ARG 58 Ca 0.01 1.04 -0.37 0.00 -0.77 0.00 0.00 57.85 57.77 1ul4 n ARG 58 Cb 0.55 -5.21 -0.06 0.00 -1.02 0.00 0.00 32.46 26.73 1ul4 n ARG 58 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ul4 n THR 60 N 1.06 0.00 -3.19 0.00 -2.24 -1.26 -5.08 114.28 103.56 1ul4 n THR 60 Ca -0.05 -0.63 -0.39 0.00 -2.27 0.00 0.00 64.05 60.70 1ul4 n THR 60 Cb 0.51 0.81 -0.06 0.00 -2.10 0.00 0.00 70.33 69.49 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 3.49 -0.21 6.98 0.00 -1.26 -5.02 121.76 125.74 1ul4 s ALA 61 Ca 0.22 -0.22 -0.29 0.00 0.00 0.00 0.00 51.96 51.67 1ul4 s ALA 61 Cb 0.25 -2.84 -0.03 0.00 0.00 0.00 0.00 23.12 20.50 1ul4 s ALA 61 CO -0.11 -0.31 1.60 0.34 0.00 0.00 0.00 175.76 177.28 1ul4 s ASP 62 N 0.97 6.42 -0.49 0.00 -1.08 -1.26 -4.75 116.67 116.47 1ul4 s ASP 62 Ca 0.28 1.64 0.02 0.00 -0.52 0.00 0.00 52.55 53.97 1ul4 s ASP 62 Cb -0.16 -2.53 0.54 0.00 -1.46 0.00 0.00 42.92 39.31 1ul4 s ASP 62 CO 0.11 -1.22 1.92 0.23 0.52 0.00 0.00 175.17 176.73 1ul4 n MET 63 N 7.59 2.31 0.05 4.34 2.81 -1.25 -4.37 117.12 128.59 1ul4 n MET 63 Ca 0.18 -2.88 -0.11 0.00 -1.81 0.00 0.00 57.70 53.09 1ul4 n MET 63 Cb 0.45 -2.13 -0.13 0.00 -0.71 0.00 0.00 33.22 30.70 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 1.31 0.09 -0.21 0.03 1.63 -1.90 -3.34 116.57 114.18 1ul4 h LYS 64 Ca 0.58 -0.15 -0.13 0.00 -0.85 0.00 0.00 60.65 60.09 1ul4 h LYS 64 Cb 1.99 0.06 -0.09 0.00 -0.60 0.00 0.00 32.23 33.58 1ul4 h LYS 64 CO 1.20 0.95 -0.42 0.39 -3.45 0.00 0.00 179.45 178.12 1ul4 n GLU 65 N -3.34 1.95 -1.78 1.90 -0.58 -1.26 -5.02 120.64 112.52 1ul4 n GLU 65 Ca -0.08 -3.40 -0.26 0.00 -0.42 0.00 0.00 57.16 52.99 1ul4 n GLU 65 Cb 0.99 -1.77 0.18 0.00 -0.57 0.00 0.00 31.44 30.27 1ul4 n GLU 65 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ul4 n ALA 66 N -1.06 -1.29 -2.09 0.62 0.00 -1.25 -5.10 120.51 110.34 1ul4 n ALA 66 Ca 0.27 -1.60 -0.18 0.00 0.00 0.00 0.00 53.44 51.93 1ul4 n ALA 66 Cb 0.82 -0.05 -0.01 0.00 0.00 0.00 0.00 19.45 20.21 1ul4 n ALA 66 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1ul4 s LYS 67 N -5.59 2.72 0.00 0.00 2.47 -1.26 -5.00 119.74 113.07 1ul4 s LYS 67 Ca 0.68 -1.35 0.21 0.00 -1.56 0.00 0.00 55.97 53.95 1ul4 s LYS 67 Cb -0.02 -2.62 0.94 0.00 -1.46 0.00 0.00 37.83 34.68 1ul4 s LYS 67 CO 0.48 -0.24 1.69 -0.11 0.16 0.00 0.00 175.35 177.32 1ul4 n LEU 68 N -1.74 0.00 0.09 5.43 0.00 -1.26 -2.82 117.00 116.70 1ul4 n LEU 68 Ca 0.06 0.47 -0.04 0.00 0.00 0.00 0.00 56.01 56.51 1ul4 n LEU 68 Cb 0.60 -0.47 -0.07 0.00 0.00 0.00 0.00 43.42 43.48 1ul4 n LEU 68 CO 0.40 -0.12 0.26 0.22 0.00 0.00 0.00 177.39 178.15 1ul4 h TYR 69 N 0.00 0.00 -1.08 1.96 3.20 -1.98 -3.29 116.97 115.78 1ul4 h TYR 69 Ca 0.00 0.00 -0.64 0.00 3.14 0.00 0.00 58.73 61.23 1ul4 h TYR 69 Cb 0.35 0.00 -0.26 0.00 1.54 0.00 0.00 36.73 38.36 1ul4 h TYR 69 CO 0.00 0.83 0.83 0.72 -1.64 0.00 0.00 178.16 178.89 1ul4 n HIS 70 N -3.31 2.90 0.05 -3.82 8.25 -1.13 -4.38 115.22 113.78 1ul4 n HIS 70 Ca 0.01 -2.74 0.00 0.00 -0.26 0.00 0.00 57.72 54.73 1ul4 n HIS 70 Cb 0.87 -1.34 0.00 0.00 1.12 0.00 0.00 29.99 30.63 1ul4 n HIS 70 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ul4 n ARG 71 N -0.62 0.00 0.12 -0.41 1.74 -1.24 -4.18 116.66 112.07 1ul4 n ARG 71 Ca 0.56 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.74 1ul4 n ARG 71 Cb 0.58 -0.33 0.59 0.00 -1.02 0.00 0.00 32.46 32.27 1ul4 n ARG 71 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1ul4 h ARG 72 N 0.00 0.16 0.00 5.56 2.43 -1.76 0.21 114.38 120.97 1ul4 h ARG 72 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1ul4 h ARG 72 Cb 0.27 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1ul4 h ARG 72 CO 0.00 0.11 -0.47 0.72 -1.51 0.00 0.00 179.97 178.81 1ul4 n HIS 73 N -4.49 0.60 -2.67 2.20 8.25 -1.26 -4.94 115.22 112.90 1ul4 n HIS 73 Ca 0.02 0.17 -0.19 0.00 -0.26 0.00 0.00 57.72 57.47 1ul4 n HIS 73 Cb 0.22 -0.69 0.01 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 -2.10 -3.07 -3.97 -0.41 5.02 0.06 -4.88 118.16 108.80 1ul4 n LYS 74 Ca 0.04 0.82 -0.11 0.00 -2.02 0.00 0.00 58.31 57.03 1ul4 n LYS 74 Cb 0.43 -5.37 -0.12 0.00 -0.02 0.00 0.00 35.03 29.95 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 -3.01 0.17 0.64 -0.18 0.11 -1.26 0.43 120.40 117.29 1ul4 s VAL 75 Ca 0.15 -0.54 0.03 0.00 -2.93 0.00 0.00 61.98 58.69 1ul4 s VAL 75 Cb -0.07 -0.23 0.10 0.00 -1.53 0.00 0.00 36.38 34.64 1ul4 s VAL 75 CO 0.19 -0.24 0.88 0.00 -3.33 0.00 0.00 175.10 172.60 1ul4 h GLU 77 N -0.17 0.49 -0.14 0.00 4.81 -1.96 0.79 114.58 118.41 1ul4 h GLU 77 Ca -0.35 -0.22 0.04 0.00 -0.13 0.00 0.00 59.36 58.69 1ul4 h GLU 77 Cb 1.28 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 1ul4 h GLU 77 CO 0.42 0.78 0.10 0.28 -0.73 0.00 0.00 179.01 179.86 1ul4 h VAL 78 N 0.42 0.88 0.00 0.32 2.07 -1.99 0.68 116.25 118.63 1ul4 h VAL 78 Ca 0.05 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.32 1ul4 h VAL 78 Cb 0.81 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 1ul4 h VAL 78 CO 0.07 0.00 -1.94 1.41 0.02 0.00 0.00 177.57 177.13 1ul4 n HIS 79 N -4.42 0.00 -0.14 1.57 8.25 -1.07 -3.95 115.22 115.47 1ul4 n HIS 79 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 1ul4 n HIS 79 Cb 0.22 -0.68 0.03 0.00 1.12 0.00 0.00 29.99 30.69 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 0.66 0.75 0.01 -1.41 0.00 0.83 -3.07 119.26 117.03 1ul4 h ALA 80 Ca -0.37 -0.39 -0.20 0.00 0.00 0.00 0.00 54.91 53.95 1ul4 h ALA 80 Cb 1.84 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.44 1ul4 h ALA 80 CO 0.02 0.66 -0.96 0.87 0.00 0.00 0.00 179.25 179.84 1ul4 h LYS 81 N 0.80 0.05 -7.05 0.00 1.79 -1.07 -3.47 116.57 107.63 1ul4 h LYS 81 Ca 0.10 -0.07 -0.44 0.00 -2.18 0.00 0.00 60.65 58.06 1ul4 h LYS 81 Cb 0.78 0.03 0.22 0.00 -1.58 0.00 0.00 32.23 31.68 1ul4 h LYS 81 CO 0.06 0.97 -0.19 0.00 -1.08 0.00 0.00 179.45 179.21 1ul4 n ALA 82 N -2.39 -3.10 -0.08 3.86 0.00 -1.16 -5.01 120.51 112.63 1ul4 n ALA 82 Ca -0.01 -1.19 -0.07 0.00 0.00 0.00 0.00 53.44 52.16 1ul4 n ALA 82 Cb 0.89 -1.92 -0.02 0.00 0.00 0.00 0.00 19.45 18.39 1ul4 n ALA 82 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ul4 n SER 83 N -4.40 1.77 -4.46 0.00 3.41 -1.26 -4.69 113.62 103.99 1ul4 n SER 83 Ca 0.03 0.40 -0.33 0.00 -0.26 0.00 0.00 58.87 58.71 1ul4 n SER 83 Cb 0.55 -0.76 -0.13 0.00 -0.26 0.00 0.00 64.21 63.61 1ul4 n SER 83 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ul4 s SER 84 N -5.72 3.96 0.09 4.04 1.04 -1.26 -3.74 113.70 112.11 1ul4 s SER 84 Ca -0.23 -0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.01 1ul4 s SER 84 Cb 0.03 -0.84 -0.04 0.00 0.10 0.00 0.00 66.02 65.27 1ul4 s SER 84 CO 0.34 0.34 -0.08 -0.69 0.98 0.00 0.00 173.24 174.13 1ul4 s VAL 85 N -0.69 0.77 -0.75 5.02 1.01 0.14 -4.92 120.40 120.99 1ul4 s VAL 85 Ca 0.11 -1.76 -0.24 0.00 0.00 0.00 0.00 61.98 60.08 1ul4 s VAL 85 Cb -0.11 -1.48 0.06 0.00 0.00 0.00 0.00 36.38 34.86 1ul4 s VAL 85 CO 0.01 -0.72 1.14 0.12 0.00 0.00 0.00 175.10 175.65 1ul4 s PHE 86 N -3.02 2.55 -0.23 5.22 5.36 -1.25 -0.63 117.98 125.97 1ul4 s PHE 86 Ca 0.08 -0.46 -0.02 0.00 -0.96 0.00 0.00 56.93 55.57 1ul4 s PHE 86 Cb 0.01 -4.46 0.02 0.00 -0.34 0.00 0.00 43.02 38.25 1ul4 s PHE 86 CO -0.02 -1.83 -0.08 -0.51 -1.46 0.00 0.00 175.22 171.32 1ul4 s LEU 87 N 4.66 3.00 -1.59 6.12 1.02 0.14 -4.28 118.68 127.74 1ul4 s LEU 87 Ca 0.30 -0.77 -0.04 0.00 0.02 0.00 0.00 54.13 53.64 1ul4 s LEU 87 Cb -0.11 -1.65 0.01 0.00 0.02 0.00 0.00 46.19 44.46 1ul4 s LEU 87 CO 0.08 -0.09 0.52 -0.24 0.02 0.00 0.00 176.35 176.63 1ul4 n SER 88 N 4.68 -6.06 -0.68 2.29 2.88 -1.26 -1.53 113.62 113.93 1ul4 n SER 88 Ca -0.17 -0.25 -0.06 0.00 -1.33 0.00 0.00 58.87 57.05 1ul4 n SER 88 Cb 0.48 -4.92 -0.01 0.00 -0.75 0.00 0.00 64.21 59.01 1ul4 n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ul4 n GLY 89 N -1.44 0.28 3.18 0.46 0.00 -1.26 -5.03 105.19 101.38 1ul4 n GLY 89 Ca -0.13 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.14 1ul4 n GLY 89 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ul4 s LEU 90 N -1.77 1.66 -0.53 0.99 1.02 -0.58 -5.12 118.68 114.34 1ul4 s LEU 90 Ca 0.00 -1.14 -0.19 0.00 0.02 0.00 0.00 54.13 52.82 1ul4 s LEU 90 Cb 0.00 0.45 0.08 0.00 0.02 0.00 0.00 46.19 46.73 1ul4 s LEU 90 CO 0.00 -0.75 0.63 0.20 0.02 0.00 0.00 176.35 176.45 1ul4 s ASN 91 N -3.03 6.20 0.08 2.29 0.02 -1.26 0.23 114.94 119.48 1ul4 s ASN 91 Ca 0.22 -1.15 0.09 0.00 -1.02 0.00 0.00 52.86 51.01 1ul4 s ASN 91 Cb 0.07 -2.28 -0.03 0.00 0.02 0.00 0.00 41.25 39.02 1ul4 s ASN 91 CO 0.01 -0.94 -0.23 -1.10 0.02 0.00 0.00 177.10 174.86 1ul4 s GLN 92 N 2.53 1.78 -0.12 -0.60 -0.21 0.20 -1.84 119.66 121.40 1ul4 s GLN 92 Ca 0.13 -1.14 -0.01 0.00 0.02 0.00 0.00 55.36 54.35 1ul4 s GLN 92 Cb -0.22 -2.04 -0.02 0.00 1.00 0.00 0.00 33.01 31.73 1ul4 s GLN 92 CO 0.09 0.50 -0.07 1.03 -2.12 0.00 0.00 175.29 174.72 1ul4 s ARG 93 N -1.65 3.31 -0.00 2.91 0.52 0.18 0.29 118.95 124.51 1ul4 s ARG 93 Ca 0.14 -0.58 -0.30 0.00 -0.52 0.00 0.00 55.73 54.48 1ul4 s ARG 93 Cb -0.10 -2.74 -0.07 0.00 0.52 0.00 0.00 34.95 32.56 1ul4 s ARG 93 CO 0.05 0.36 1.81 0.12 0.02 0.00 0.00 175.30 177.66 1ul4 s PHE 94 N 0.01 1.67 -0.41 -0.53 5.36 -1.25 -1.00 117.98 121.83 1ul4 s PHE 94 Ca -0.01 -0.12 -0.12 0.00 -0.96 0.00 0.00 56.93 55.72 1ul4 s PHE 94 Cb -0.14 -4.08 0.05 0.00 -0.34 0.00 0.00 43.02 38.52 1ul4 s PHE 94 CO 0.03 -4.70 0.28 0.00 -1.46 0.00 0.00 175.22 169.37 1ul4 h GLN 96 N 8.52 0.00 -0.46 0.00 3.07 -1.88 0.30 115.11 124.66 1ul4 h GLN 96 Ca -0.25 0.00 0.09 0.00 0.09 0.00 0.00 58.65 58.58 1ul4 h GLN 96 Cb 1.10 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.64 1ul4 h GLN 96 CO 0.75 0.45 0.32 0.37 0.09 0.00 0.00 178.83 180.81 1ul4 h GLN 97 N 0.00 0.22 0.00 0.06 4.15 -1.91 -2.50 115.11 115.13 1ul4 h GLN 97 Ca -0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1ul4 h GLN 97 Cb 0.83 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.47 1ul4 h GLN 97 CO 0.06 0.15 0.00 0.00 -1.93 0.00 0.00 178.83 177.10 1ul4 n SER 99 N -0.16 -4.22 -4.61 0.00 2.88 0.10 -4.93 113.62 102.68 1ul4 n SER 99 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 1ul4 n SER 99 Cb 0.10 -3.00 -0.10 0.00 -0.75 0.00 0.00 64.21 60.46 1ul4 n SER 99 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ul4 s ARG 100 N -1.59 1.96 0.37 -1.46 1.70 -0.88 -4.91 118.95 114.13 1ul4 s ARG 100 Ca 0.00 -2.13 -0.12 0.00 -0.47 0.00 0.00 55.73 53.00 1ul4 s ARG 100 Cb 0.00 -1.48 -0.07 0.00 -0.57 0.00 0.00 34.95 32.82 1ul4 s ARG 100 CO 0.00 -0.13 0.75 -0.06 -1.08 0.00 0.00 175.30 174.78 1ul4 s PHE 101 N -2.83 3.43 -0.02 5.89 0.08 -1.26 -0.44 117.98 122.82 1ul4 s PHE 101 Ca 0.30 1.11 0.01 0.00 0.12 0.00 0.00 56.93 58.47 1ul4 s PHE 101 Cb 0.08 -2.48 0.02 0.00 -0.57 0.00 0.00 43.02 40.07 1ul4 s PHE 101 CO 0.15 -0.02 -0.01 -1.01 -0.10 0.00 0.00 175.22 174.23 1ul4 s HIS 102 N -2.21 0.32 1.08 0.36 3.76 -0.17 -4.84 115.29 113.60 1ul4 s HIS 102 Ca 0.52 -0.03 -0.14 0.00 -0.15 0.00 0.00 55.06 55.27 1ul4 s HIS 102 Cb -0.10 -0.34 0.18 0.00 1.11 0.00 0.00 32.58 33.42 1ul4 s HIS 102 CO 0.25 -0.09 0.70 -3.47 -0.85 0.00 0.00 174.74 171.28 1ul4 n ASP 103 N 3.74 -1.54 0.15 1.40 2.03 -1.26 0.51 116.55 121.59 1ul4 n ASP 103 Ca -0.22 0.04 -0.00 0.00 0.52 0.00 0.00 54.79 55.13 1ul4 n ASP 103 Cb 0.53 -1.22 0.23 0.00 -0.72 0.00 0.00 41.12 39.94 1ul4 n ASP 103 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1ul4 h LEU 104 N -2.21 0.00 -1.90 -2.67 3.38 -1.74 -2.71 115.31 107.48 1ul4 h LEU 104 Ca -0.53 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1ul4 h LEU 104 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1ul4 h LEU 104 CO 0.42 0.54 0.00 0.00 0.09 0.00 0.00 178.44 179.49 1ul4 n GLN 105 N -3.90 2.49 -0.06 1.13 6.02 -1.26 -3.89 117.38 117.91 1ul4 n GLN 105 Ca -0.01 -1.51 -0.14 0.00 -0.01 0.00 0.00 57.00 55.33 1ul4 n GLN 105 Cb 0.55 -1.62 -0.14 0.00 1.02 0.00 0.00 30.24 30.05 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 0.46 0.68 -2.18 -1.09 -0.58 -1.02 -4.95 120.64 111.96 1ul4 n GLU 106 Ca 0.14 0.18 -0.29 0.00 -0.42 0.00 0.00 57.16 56.76 1ul4 n GLU 106 Cb 0.55 -1.65 0.01 0.00 -0.57 0.00 0.00 31.44 29.78 1ul4 n GLU 106 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1ul4 s PHE 107 N -2.55 3.55 0.33 -0.32 0.08 -1.25 -4.98 117.98 112.84 1ul4 s PHE 107 Ca -0.16 1.05 0.10 0.00 0.12 0.00 0.00 56.93 58.04 1ul4 s PHE 107 Cb 0.07 -2.61 0.56 0.00 -0.57 0.00 0.00 43.02 40.47 1ul4 s PHE 107 CO 0.77 -0.60 1.74 0.22 -0.10 0.00 0.00 175.22 177.26 1ul4 h ASP 108 N -0.15 0.09 0.00 1.36 1.82 -1.92 -3.47 116.42 114.16 1ul4 h ASP 108 Ca -0.45 -0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.15 1ul4 h ASP 108 Cb 1.21 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 41.19 1ul4 h ASP 108 CO 0.62 0.52 0.00 -0.62 -1.61 0.00 0.00 179.24 178.14 1ul4 n GLU 109 N -4.02 0.00 -0.85 0.28 1.02 -1.26 -4.98 120.64 110.83 1ul4 n GLU 109 Ca -0.02 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.18 1ul4 n GLU 109 Cb 0.47 0.00 0.15 0.00 -0.02 0.00 0.00 31.44 32.03 1ul4 n GLU 109 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ul4 n ALA 110 N -0.97 3.18 -1.86 0.62 0.00 -1.26 -5.05 120.51 115.17 1ul4 n ALA 110 Ca 0.00 -2.94 -0.43 0.00 0.00 0.00 0.00 53.44 50.07 1ul4 n ALA 110 Cb 0.00 -0.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 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 -2.18 3.49 -0.36 0.00 -0.14 -1.26 -4.85 119.74 114.44 1ul4 s LYS 111 Ca 0.36 1.83 0.05 0.00 -1.36 0.00 0.00 55.97 56.85 1ul4 s LYS 111 Cb 0.36 -4.21 0.61 0.00 -1.68 0.00 0.00 37.83 32.92 1ul4 s LYS 111 CO -0.09 -1.68 1.76 -2.13 -0.76 0.00 0.00 175.35 172.45 1ul4 n ARG 112 N 8.22 2.55 -0.89 1.68 0.00 -1.26 -4.14 116.66 122.83 1ul4 n ARG 112 Ca 0.24 -2.66 -0.05 0.00 -0.00 0.00 0.00 57.85 55.37 1ul4 n ARG 112 Cb 0.45 -2.06 -0.05 0.00 0.00 0.00 0.00 32.46 30.80 1ul4 n ARG 112 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1ul4 n SER 113 N -0.65 -0.78 -1.12 6.15 7.64 -1.26 -4.82 113.62 118.77 1ul4 n SER 113 Ca 0.47 -1.56 0.06 0.00 1.01 0.00 0.00 58.87 58.86 1ul4 n SER 113 Cb 1.45 0.23 -0.02 0.00 -1.01 0.00 0.00 64.21 64.86 1ul4 n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ul4 n ARG 115 N -2.69 0.14 -0.00 0.00 1.85 -1.26 -4.62 116.66 110.08 1ul4 n ARG 115 Ca 0.00 -1.71 -0.17 0.00 -1.00 0.00 0.00 57.85 54.97 1ul4 n ARG 115 Cb 0.21 -0.34 -0.14 0.00 -1.05 0.00 0.00 32.46 31.14 1ul4 n ARG 115 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 1ul4 n ARG 116 N 0.14 0.72 -0.05 2.89 0.00 -1.26 -3.91 116.66 115.18 1ul4 n ARG 116 Ca 0.05 0.28 -0.06 0.00 -0.00 0.00 0.00 57.85 58.11 1ul4 n ARG 116 Cb 0.93 -1.74 -0.07 0.00 0.00 0.00 0.00 32.46 31.58 1ul4 n ARG 116 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1ul4 n ARG 117 N -3.34 1.67 0.14 -0.14 0.00 -1.26 -4.69 116.66 109.04 1ul4 n ARG 117 Ca -0.26 0.02 -0.14 0.00 -0.00 0.00 0.00 57.85 57.47 1ul4 n ARG 117 Cb 1.05 -1.25 -0.08 0.00 0.00 0.00 0.00 32.46 32.18 1ul4 n ARG 117 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1ul4 h LEU 118 N 0.00 -0.29 -8.29 6.15 5.85 -1.82 -3.39 115.31 113.52 1ul4 h LEU 118 Ca -0.27 -0.16 -0.29 0.00 0.84 0.00 0.00 57.88 58.01 1ul4 h LEU 118 Cb 1.53 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.60 1ul4 h LEU 118 CO -0.01 0.00 0.75 0.00 -0.34 0.00 0.00 178.44 178.85 1ul4 s ALA 119 N -5.18 1.60 0.00 1.25 0.00 -1.25 -4.73 121.76 113.45 1ul4 s ALA 119 Ca -0.15 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.58 1ul4 s ALA 119 Cb 0.03 -4.51 0.00 0.00 0.00 0.00 0.00 23.12 18.64 1ul4 s ALA 119 CO 0.60 -4.83 0.00 0.41 0.00 0.00 0.00 175.76 171.94 1ul4 n GLY 120 N 6.65 0.81 0.04 0.00 0.00 -1.26 -4.87 105.19 106.56 1ul4 n GLY 120 Ca 0.38 -1.91 -0.05 0.00 0.00 0.00 0.00 46.02 44.44 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 0.01 0.00 -2.61 1.61 -0.00 -1.26 -5.09 115.22 107.87 1ul4 n HIS 121 Ca 0.00 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.15 1ul4 n HIS 121 Cb 0.00 -0.30 -0.02 0.00 -0.12 0.00 0.00 29.99 29.55 1ul4 n HIS 121 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 1ul4 n ASN 122 N -2.64 -3.94 -3.75 0.26 3.02 -1.26 -5.03 115.26 101.92 1ul4 n ASN 122 Ca -0.13 1.35 -0.28 0.00 -0.03 0.00 0.00 54.58 55.48 1ul4 n ASN 122 Cb 0.65 -5.17 -0.16 0.00 -0.61 0.00 0.00 39.78 34.49 1ul4 n ASN 122 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ul4 s GLU 123 N -1.12 0.75 -0.77 3.52 0.41 -1.26 -5.06 118.70 115.18 1ul4 s GLU 123 Ca -0.15 -0.60 0.03 0.00 -0.41 0.00 0.00 54.97 53.84 1ul4 s GLU 123 Cb 0.01 -2.12 0.20 0.00 -1.78 0.00 0.00 34.13 30.44 1ul4 s GLU 123 CO 0.77 -0.71 0.65 0.54 -0.49 0.00 0.00 175.26 176.02 1ul4 n ARG 124 N 4.98 2.27 -2.64 1.61 1.74 -1.26 -4.93 116.66 118.42 1ul4 n ARG 124 Ca -0.08 -4.52 -0.04 0.00 -0.77 0.00 0.00 57.85 52.44 1ul4 n ARG 124 Cb 0.46 -2.33 -0.04 0.00 -1.02 0.00 0.00 32.46 29.53 1ul4 n ARG 124 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ul4 n ARG 125 N 1.87 -4.30 -0.05 5.56 3.00 -1.26 -4.98 116.66 116.51 1ul4 n ARG 125 Ca 0.22 3.27 -0.21 0.00 -0.01 0.00 0.00 57.85 61.12 1ul4 n ARG 125 Cb 0.36 -5.08 -0.13 0.00 0.00 0.00 0.00 32.46 27.62 1ul4 n ARG 125 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 1ul4 h ARG 126 N 3.89 0.12 -0.59 5.56 1.12 -2.01 -3.38 114.38 119.09 1ul4 h ARG 126 Ca -0.42 -0.21 -0.07 0.00 -1.11 0.00 0.00 59.98 58.16 1ul4 h ARG 126 Cb 0.97 0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 30.98 1ul4 h ARG 126 CO 0.03 1.10 0.10 0.87 -3.11 0.00 0.00 179.97 178.96 1ul4 h LYS 127 N -0.59 0.98 -6.06 0.20 6.56 -2.04 -3.43 116.57 112.18 1ul4 h LYS 127 Ca -0.33 -0.26 -0.58 0.00 -1.06 0.00 0.00 60.65 58.42 1ul4 h LYS 127 Cb 1.56 -0.11 -0.05 0.00 -0.57 0.00 0.00 32.23 33.06 1ul4 h LYS 127 CO -0.06 0.92 -0.52 -1.54 -2.06 0.00 0.00 179.45 176.20 1ul4 s SER 128 N -6.36 6.04 -0.30 0.86 1.04 -1.26 -5.09 113.70 108.62 1ul4 s SER 128 Ca -0.12 0.10 0.06 0.00 0.48 0.00 0.00 55.95 56.47 1ul4 s SER 128 Cb 0.13 -1.76 0.19 0.00 0.10 0.00 0.00 66.02 64.69 1ul4 s SER 128 CO 0.83 0.11 0.56 -0.44 0.98 0.00 0.00 173.24 175.28 1ul4 s SER 129 N -2.88 -1.29 0.00 7.02 0.01 -1.26 -4.73 113.70 110.58 1ul4 s SER 129 Ca 0.33 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.57 1ul4 s SER 129 Cb -0.12 1.87 0.00 0.00 0.21 0.00 0.00 66.02 67.99 1ul4 s SER 129 CO 0.26 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.23 1ul4 n GLY 130 N 5.29 0.15 0.09 3.44 0.00 -1.26 -5.22 105.19 107.68 1ul4 n GLY 130 Ca 0.05 -1.41 0.16 0.00 0.00 0.00 0.00 46.02 44.82 1ul4 n GLY 130 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11