#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 1.91 0.00 3.23 1.81 -1.26 -3.02 118.95 121.61 1ul4 s ARG 52 Ca 0.00 -1.77 0.06 0.00 -1.72 0.00 0.00 55.73 52.30 1ul4 s ARG 52 Cb 0.00 -3.43 0.11 0.00 -0.45 0.00 0.00 34.95 31.18 1ul4 s ARG 52 CO 0.00 -0.98 1.00 1.28 -0.68 0.00 0.00 175.30 175.92 1ul4 n LEU 53 N 4.50 0.22 -4.84 2.53 4.77 -1.26 -5.10 117.00 117.82 1ul4 n LEU 53 Ca -0.02 -1.28 -0.36 0.00 -0.03 0.00 0.00 56.01 54.32 1ul4 n LEU 53 Cb 0.42 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 1ul4 n LEU 53 CO 0.29 0.41 0.25 0.00 -1.33 0.00 0.00 177.39 177.01 1ul4 h GLN 55 N 3.71 0.00 -6.91 0.00 -0.00 -1.94 -3.47 115.11 106.50 1ul4 h GLN 55 Ca -0.49 0.00 -0.56 0.00 -0.00 0.00 0.00 58.65 57.61 1ul4 h GLN 55 Cb 1.20 0.00 0.13 0.00 -0.00 0.00 0.00 27.48 28.81 1ul4 h GLN 55 CO 0.65 0.51 0.54 0.28 -0.00 0.00 0.00 178.83 180.82 1ul4 n VAL 56 N -3.05 2.91 -3.04 1.86 0.31 -1.26 -4.99 118.33 111.06 1ul4 n VAL 56 Ca -0.16 -0.50 -0.28 0.00 -0.01 0.00 0.00 64.34 63.40 1ul4 n VAL 56 Cb 1.04 -1.63 -0.02 0.00 -0.91 0.00 0.00 33.84 32.32 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 -0.62 6.38 -1.80 4.52 1.01 -1.26 -4.11 116.67 120.78 1ul4 s ASP 57 Ca 0.64 0.81 0.00 0.00 0.71 0.00 0.00 52.55 54.71 1ul4 s ASP 57 Cb -0.47 -2.19 0.00 0.00 1.01 0.00 0.00 42.92 41.27 1ul4 s ASP 57 CO 0.56 -0.37 0.00 0.54 0.21 0.00 0.00 175.17 176.11 1ul4 n ARG 58 N -1.57 -1.52 -2.65 8.23 3.00 -1.26 -4.82 116.66 116.07 1ul4 n ARG 58 Ca -0.01 1.02 -0.42 0.00 -0.01 0.00 0.00 57.85 58.43 1ul4 n ARG 58 Cb 0.55 -5.55 -0.03 0.00 0.00 0.00 0.00 32.46 27.43 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 3.98 0.10 -1.89 0.00 5.66 -1.26 -5.03 114.28 115.84 1ul4 n THR 60 Ca 0.07 -0.19 -0.39 0.00 -3.05 0.00 0.00 64.05 60.49 1ul4 n THR 60 Cb 0.50 0.08 0.02 0.00 -1.55 0.00 0.00 70.33 69.37 1ul4 n THR 60 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ul4 s ALA 61 N -2.42 3.11 0.03 1.79 0.00 -1.26 -4.99 121.76 118.01 1ul4 s ALA 61 Ca -0.03 1.33 -0.18 0.00 0.00 0.00 0.00 51.96 53.08 1ul4 s ALA 61 Cb 0.04 -3.54 -0.06 0.00 0.00 0.00 0.00 23.12 19.56 1ul4 s ALA 61 CO 0.29 -1.11 0.51 0.34 0.00 0.00 0.00 175.76 175.80 1ul4 s ASP 62 N -0.76 6.95 -0.40 0.00 -1.08 -1.26 -4.98 116.67 115.14 1ul4 s ASP 62 Ca 0.63 1.12 0.06 0.00 -0.52 0.00 0.00 52.55 53.84 1ul4 s ASP 62 Cb -0.40 -2.32 0.57 0.00 -1.46 0.00 0.00 42.92 39.31 1ul4 s ASP 62 CO 0.50 0.25 1.71 0.23 0.52 0.00 0.00 175.17 178.38 1ul4 n MET 63 N 2.02 2.17 0.08 4.34 2.81 -1.17 -4.53 117.12 122.85 1ul4 n MET 63 Ca -0.11 -3.17 -0.08 0.00 -1.81 0.00 0.00 57.70 52.53 1ul4 n MET 63 Cb 0.51 -2.04 -0.06 0.00 -0.71 0.00 0.00 33.22 30.92 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 1.15 0.11 -2.55 0.03 3.11 -1.94 -3.34 116.57 113.13 1ul4 h LYS 64 Ca 0.45 -0.15 -0.60 0.00 -2.81 0.00 0.00 60.65 57.54 1ul4 h LYS 64 Cb 2.11 0.05 -0.40 0.00 -1.00 0.00 0.00 32.23 32.99 1ul4 h LYS 64 CO 0.83 0.98 -0.82 0.39 -2.81 0.00 0.00 179.45 178.03 1ul4 n GLU 65 N -3.52 1.04 -4.34 1.90 1.02 -1.26 -4.83 120.64 110.65 1ul4 n GLU 65 Ca -0.03 -3.78 -0.26 0.00 -0.02 0.00 0.00 57.16 53.07 1ul4 n GLU 65 Cb 0.88 -1.89 -0.10 0.00 -0.02 0.00 0.00 31.44 30.31 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 -0.86 2.86 0.85 0.62 0.00 -1.26 -5.12 121.76 118.85 1ul4 s ALA 66 Ca 0.31 -1.58 -0.11 0.00 0.00 0.00 0.00 51.96 50.58 1ul4 s ALA 66 Cb 0.04 -0.60 0.11 0.00 0.00 0.00 0.00 23.12 22.67 1ul4 s ALA 66 CO -0.16 0.41 1.14 0.21 0.00 0.00 0.00 175.76 177.36 1ul4 s LYS 67 N -2.98 1.49 0.58 0.00 2.20 -1.26 -4.86 119.74 114.91 1ul4 s LYS 67 Ca 0.25 1.48 0.28 0.00 -0.36 0.00 0.00 55.97 57.62 1ul4 s LYS 67 Cb -0.08 -1.79 1.72 0.00 -1.51 0.00 0.00 37.83 36.17 1ul4 s LYS 67 CO 0.15 -2.27 2.19 1.25 -0.36 0.00 0.00 175.35 176.31 1ul4 h LEU 68 N -1.47 0.00 -0.01 5.43 5.85 -2.01 -0.37 115.31 122.73 1ul4 h LEU 68 Ca -0.44 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.10 1ul4 h LEU 68 Cb 1.26 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 1ul4 h LEU 68 CO 0.45 0.00 -0.87 0.22 -0.34 0.00 0.00 178.44 177.90 1ul4 h TYR 69 N 0.00 0.00 -0.88 1.25 5.03 -2.00 -3.27 116.97 117.10 1ul4 h TYR 69 Ca 0.03 0.00 -0.55 0.00 2.58 0.00 0.00 58.73 60.80 1ul4 h TYR 69 Cb 0.17 0.00 -0.26 0.00 1.55 0.00 0.00 36.73 38.19 1ul4 h TYR 69 CO 0.00 0.87 0.70 0.72 -1.32 0.00 0.00 178.16 179.13 1ul4 n HIS 70 N -3.32 2.81 0.00 -3.82 8.25 -0.16 -4.19 115.22 114.79 1ul4 n HIS 70 Ca 0.01 -2.37 0.00 0.00 -0.26 0.00 0.00 57.72 55.10 1ul4 n HIS 70 Cb 0.88 -1.16 0.00 0.00 1.12 0.00 0.00 29.99 30.83 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 -0.76 0.00 0.06 -0.41 1.74 -1.17 -4.31 116.66 111.81 1ul4 n ARG 71 Ca 0.55 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.74 1ul4 n ARG 71 Cb 0.99 -0.04 0.58 0.00 -1.02 0.00 0.00 32.46 32.97 1ul4 n ARG 71 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 1ul4 h ARG 72 N 0.00 0.19 0.00 5.56 0.11 -1.79 0.12 114.38 118.57 1ul4 h ARG 72 Ca 0.00 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 1ul4 h ARG 72 Cb 0.00 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.04 1ul4 h ARG 72 CO 0.00 0.12 -0.05 0.45 0.10 0.00 0.00 179.97 180.60 1ul4 h HIS 73 N 0.19 0.00 -5.40 4.08 3.86 -1.87 -3.47 115.15 112.55 1ul4 h HIS 73 Ca 0.16 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 59.05 1ul4 h HIS 73 Cb 0.40 0.00 0.15 0.00 1.06 0.00 0.00 27.41 29.02 1ul4 h HIS 73 CO -0.00 0.05 -0.68 1.63 0.86 0.00 0.00 177.93 179.79 1ul4 n LYS 74 N -3.15 -6.54 -3.80 2.45 5.02 0.41 -4.99 118.16 107.57 1ul4 n LYS 74 Ca 0.01 0.78 -0.12 0.00 -2.02 0.00 0.00 58.31 56.96 1ul4 n LYS 74 Cb 0.38 -5.61 -0.11 0.00 -0.02 0.00 0.00 35.03 29.68 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 -3.32 0.03 0.54 -0.18 0.11 -1.26 -3.55 120.40 112.76 1ul4 s VAL 75 Ca 0.18 -0.25 -0.14 0.00 -2.93 0.00 0.00 61.98 58.84 1ul4 s VAL 75 Cb -0.08 -0.42 -0.06 0.00 -1.53 0.00 0.00 36.38 34.28 1ul4 s VAL 75 CO 0.67 -0.14 0.98 0.00 -3.33 0.00 0.00 175.10 173.28 1ul4 h GLU 77 N 0.55 1.15 -0.03 0.00 4.22 -1.95 0.64 114.58 119.16 1ul4 h GLU 77 Ca -0.46 -0.14 -0.11 0.00 0.08 0.00 0.00 59.36 58.73 1ul4 h GLU 77 Cb 1.19 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 1ul4 h GLU 77 CO 0.62 0.85 -0.48 0.28 -2.18 0.00 0.00 179.01 178.10 1ul4 h VAL 78 N 1.14 1.34 0.00 0.32 2.07 -1.93 -2.41 116.25 116.78 1ul4 h VAL 78 Ca 0.29 -1.66 -0.23 0.00 0.82 0.00 0.00 66.70 65.91 1ul4 h VAL 78 Cb 0.05 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 1ul4 h VAL 78 CO -0.04 0.48 -1.21 0.45 0.02 0.00 0.00 177.57 177.27 1ul4 h HIS 79 N 0.06 0.00 -0.37 1.57 3.86 -1.77 -2.88 115.15 115.63 1ul4 h HIS 79 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1ul4 h HIS 79 Cb 0.87 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.34 1ul4 h HIS 79 CO 0.01 0.97 0.00 0.00 0.86 0.00 0.00 177.93 179.76 1ul4 n ALA 80 N -2.41 2.48 -2.21 2.45 0.00 0.22 -3.93 120.51 117.10 1ul4 n ALA 80 Ca -0.05 -0.67 -0.01 0.00 0.00 0.00 0.00 53.44 52.70 1ul4 n ALA 80 Cb 0.96 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 19.42 1ul4 n ALA 80 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ul4 n LYS 81 N 0.58 0.00 -2.48 0.00 5.02 -0.92 -4.92 118.16 115.43 1ul4 n LYS 81 Ca 0.13 -1.37 -0.25 0.00 -2.02 0.00 0.00 58.31 54.80 1ul4 n LYS 81 Cb 0.34 0.20 0.12 0.00 -0.02 0.00 0.00 35.03 35.66 1ul4 n LYS 81 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ul4 s ALA 82 N 0.00 3.47 -0.18 7.82 0.00 -1.09 -4.96 121.76 126.81 1ul4 s ALA 82 Ca 0.15 -1.66 0.15 0.00 0.00 0.00 0.00 51.96 50.59 1ul4 s ALA 82 Cb 0.17 -2.12 -0.24 0.00 0.00 0.00 0.00 23.12 20.93 1ul4 s ALA 82 CO -0.07 -1.64 0.12 0.45 0.00 0.00 0.00 175.76 174.62 1ul4 n SER 83 N -3.00 0.35 -3.07 0.00 2.88 -1.26 -4.82 113.62 104.70 1ul4 n SER 83 Ca 0.15 0.04 0.03 0.00 -1.33 0.00 0.00 58.87 57.76 1ul4 n SER 83 Cb 0.60 0.69 -0.00 0.00 -0.75 0.00 0.00 64.21 64.75 1ul4 n SER 83 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ul4 s SER 84 N -5.70 -1.06 0.58 -3.46 1.04 -1.26 -4.89 113.70 98.96 1ul4 s SER 84 Ca -0.12 -0.29 -0.13 0.00 0.48 0.00 0.00 55.95 55.89 1ul4 s SER 84 Cb 0.07 1.45 -0.06 0.00 0.10 0.00 0.00 66.02 67.58 1ul4 s SER 84 CO 0.81 -0.15 1.01 -0.69 0.98 0.00 0.00 173.24 175.20 1ul4 s VAL 85 N 2.25 4.62 -0.17 5.02 1.01 0.01 -4.80 120.40 128.35 1ul4 s VAL 85 Ca 0.16 1.02 -0.16 0.00 0.00 0.00 0.00 61.98 63.00 1ul4 s VAL 85 Cb -0.03 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1ul4 s VAL 85 CO -0.15 -0.95 0.40 0.12 0.00 0.00 0.00 175.10 174.52 1ul4 s PHE 86 N -2.94 3.42 -0.18 5.22 5.36 -1.26 -1.06 117.98 126.55 1ul4 s PHE 86 Ca 0.57 0.69 -0.04 0.00 -0.96 0.00 0.00 56.93 57.18 1ul4 s PHE 86 Cb -0.11 -2.50 0.08 0.00 -0.34 0.00 0.00 43.02 40.15 1ul4 s PHE 86 CO 0.44 0.08 0.20 -0.51 -1.46 0.00 0.00 175.22 173.97 1ul4 s LEU 87 N 0.99 -0.05 -2.06 6.12 1.02 -0.79 -3.98 118.68 119.93 1ul4 s LEU 87 Ca 0.20 -0.17 0.00 0.00 0.02 0.00 0.00 54.13 54.19 1ul4 s LEU 87 Cb -0.14 0.29 0.00 0.00 0.02 0.00 0.00 46.19 46.36 1ul4 s LEU 87 CO 0.08 -0.31 0.00 -0.24 0.02 0.00 0.00 176.35 175.89 1ul4 n SER 88 N 5.32 -5.66 0.00 2.29 2.88 -1.26 -1.80 113.62 115.39 1ul4 n SER 88 Ca -0.06 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 1ul4 n SER 88 Cb 0.49 -4.87 0.00 0.00 -0.75 0.00 0.00 64.21 59.08 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 -0.63 2.69 3.85 0.46 0.00 -1.26 -5.02 105.19 105.28 1ul4 n GLY 89 Ca -0.22 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 3.49 0.09 0.99 2.96 -0.75 -5.03 118.68 120.43 1ul4 s LEU 90 Ca 0.00 1.52 -0.30 0.00 -0.22 0.00 0.00 54.13 55.13 1ul4 s LEU 90 Cb 0.00 -4.50 -0.05 0.00 0.50 0.00 0.00 46.19 42.14 1ul4 s LEU 90 CO 0.00 -0.69 0.97 0.20 -1.32 0.00 0.00 176.35 175.51 1ul4 s ASN 91 N -3.45 7.47 0.33 3.68 0.01 -1.26 -1.89 114.94 119.82 1ul4 s ASN 91 Ca 0.58 1.77 0.04 0.00 -0.71 0.00 0.00 52.86 54.54 1ul4 s ASN 91 Cb -0.10 -2.58 -0.03 0.00 0.41 0.00 0.00 41.25 38.94 1ul4 s ASN 91 CO 0.39 -0.11 0.17 -1.58 -1.51 0.00 0.00 177.10 174.46 1ul4 s GLN 92 N 0.21 1.70 0.18 -0.60 0.74 -0.22 -1.82 119.66 119.85 1ul4 s GLN 92 Ca 0.48 -1.99 -0.22 0.00 0.05 0.00 0.00 55.36 53.68 1ul4 s GLN 92 Cb -0.23 -0.14 0.06 0.00 1.10 0.00 0.00 33.01 33.80 1ul4 s GLN 92 CO 0.30 -0.49 0.62 1.03 -0.55 0.00 0.00 175.29 176.19 1ul4 s ARG 93 N -3.73 1.37 0.08 1.67 1.81 -0.75 -0.81 118.95 118.59 1ul4 s ARG 93 Ca 0.34 -0.58 -0.18 0.00 -1.72 0.00 0.00 55.73 53.60 1ul4 s ARG 93 Cb 0.04 0.59 -0.07 0.00 -0.45 0.00 0.00 34.95 35.06 1ul4 s ARG 93 CO 0.19 -0.61 0.54 0.12 -0.68 0.00 0.00 175.30 174.86 1ul4 s PHE 94 N -3.78 3.75 -0.37 -0.53 5.36 -1.26 -2.14 117.98 119.00 1ul4 s PHE 94 Ca 0.03 1.19 -0.00 0.00 -0.96 0.00 0.00 56.93 57.19 1ul4 s PHE 94 Cb -0.02 -2.44 0.10 0.00 -0.34 0.00 0.00 43.02 40.32 1ul4 s PHE 94 CO -0.09 0.56 0.13 0.00 -1.46 0.00 0.00 175.22 174.36 1ul4 h GLN 96 N 7.87 0.00 -0.32 0.00 1.08 -1.90 0.84 115.11 122.69 1ul4 h GLN 96 Ca -0.10 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.13 1ul4 h GLN 96 Cb 1.04 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.43 1ul4 h GLN 96 CO 0.61 0.03 0.11 1.96 -0.95 0.00 0.00 178.83 180.60 1ul4 h GLN 97 N 0.00 0.25 -0.12 1.46 1.08 -1.94 -3.08 115.11 112.75 1ul4 h GLN 97 Ca -0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1ul4 h GLN 97 Cb 0.07 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 1ul4 h GLN 97 CO 0.00 0.16 0.00 0.00 -0.95 0.00 0.00 178.83 178.05 1ul4 n SER 99 N -0.57 -2.11 -3.21 0.00 2.88 0.29 -4.88 113.62 106.01 1ul4 n SER 99 Ca 0.11 0.22 -0.11 0.00 -1.33 0.00 0.00 58.87 57.76 1ul4 n SER 99 Cb 0.52 -2.08 -0.00 0.00 -0.75 0.00 0.00 64.21 61.90 1ul4 n SER 99 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ul4 n ARG 100 N -1.86 1.16 -3.94 -1.46 1.74 -1.02 -4.89 116.66 106.38 1ul4 n ARG 100 Ca -0.07 -1.49 -0.34 0.00 -0.77 0.00 0.00 57.85 55.18 1ul4 n ARG 100 Cb 0.34 0.18 -0.14 0.00 -1.02 0.00 0.00 32.46 31.82 1ul4 n ARG 100 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1ul4 s PHE 101 N -1.21 3.44 0.23 -1.55 0.08 -1.26 -0.75 117.98 116.97 1ul4 s PHE 101 Ca 0.12 -2.33 0.06 0.00 0.12 0.00 0.00 56.93 54.90 1ul4 s PHE 101 Cb -0.01 -2.48 -0.04 0.00 -0.57 0.00 0.00 43.02 39.93 1ul4 s PHE 101 CO 0.08 -0.89 0.21 -1.01 -0.10 0.00 0.00 175.22 173.51 1ul4 s HIS 102 N 1.12 3.17 0.98 0.36 3.76 -0.91 -4.94 115.29 118.82 1ul4 s HIS 102 Ca 0.00 -0.08 -0.12 0.00 -0.15 0.00 0.00 55.06 54.71 1ul4 s HIS 102 Cb -0.20 -1.45 0.11 0.00 1.11 0.00 0.00 32.58 32.15 1ul4 s HIS 102 CO -0.04 0.51 0.69 -3.47 -0.85 0.00 0.00 174.74 171.58 1ul4 n ASP 103 N -1.05 -1.21 0.21 1.40 2.03 -1.26 -1.82 116.55 114.85 1ul4 n ASP 103 Ca -0.08 0.27 0.08 0.00 0.52 0.00 0.00 54.79 55.58 1ul4 n ASP 103 Cb 0.57 -1.28 0.46 0.00 -0.72 0.00 0.00 41.12 40.14 1ul4 n ASP 103 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1ul4 h LEU 104 N -1.85 0.00 -1.96 -2.67 5.85 -1.62 -2.94 115.31 110.12 1ul4 h LEU 104 Ca -0.46 0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.39 1ul4 h LEU 104 Cb 1.29 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 1ul4 h LEU 104 CO 0.39 0.28 0.48 1.56 -0.34 0.00 0.00 178.44 180.80 1ul4 h GLN 105 N 0.00 0.00 0.02 1.25 4.20 -1.90 0.43 115.11 119.10 1ul4 h GLN 105 Ca -0.00 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.49 1ul4 h GLN 105 Cb 0.71 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.46 1ul4 h GLN 105 CO 0.04 0.00 -1.03 0.93 -0.67 0.00 0.00 178.83 178.10 1ul4 h GLU 106 N 0.00 0.04 -0.84 1.46 4.39 -1.87 -3.25 114.58 114.50 1ul4 h GLU 106 Ca 0.22 -0.06 -0.43 0.00 0.34 0.00 0.00 59.36 59.43 1ul4 h GLU 106 Cb 1.17 0.02 -0.25 0.00 -0.10 0.00 0.00 28.75 29.59 1ul4 h GLU 106 CO -0.00 1.02 0.47 1.19 -1.16 0.00 0.00 179.01 180.53 1ul4 n PHE 107 N -3.38 2.59 -3.93 4.33 3.72 0.14 -4.67 117.46 116.26 1ul4 n PHE 107 Ca -0.01 -1.76 -0.21 0.00 -0.05 0.00 0.00 57.45 55.42 1ul4 n PHE 107 Cb 0.95 -0.83 -0.02 0.00 -0.94 0.00 0.00 39.48 38.64 1ul4 n PHE 107 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1ul4 s ASP 108 N -1.57 6.29 0.00 4.37 -1.08 -0.67 -4.77 116.67 119.24 1ul4 s ASP 108 Ca 0.54 0.05 0.00 0.00 -0.52 0.00 0.00 52.55 52.62 1ul4 s ASP 108 Cb 0.46 -1.81 0.00 0.00 -1.46 0.00 0.00 42.92 40.11 1ul4 s ASP 108 CO 0.09 -0.10 0.00 -0.62 0.52 0.00 0.00 175.17 175.05 1ul4 n GLU 109 N -1.43 0.00 -4.08 4.34 1.02 -1.26 -4.62 120.64 114.60 1ul4 n GLU 109 Ca -0.08 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.88 1ul4 n GLU 109 Cb 0.57 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.92 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 1.19 0.55 -2.23 0.62 0.00 -1.26 -5.08 120.51 114.30 1ul4 n ALA 110 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 53.44 51.63 1ul4 n ALA 110 Cb 0.00 1.46 0.00 0.00 0.00 0.00 0.00 19.45 20.91 1ul4 n ALA 110 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ul4 n LYS 111 N -0.59 -5.23 -1.19 0.00 4.76 -1.26 -4.77 118.16 109.88 1ul4 n LYS 111 Ca 0.07 3.77 -0.27 0.00 -2.87 0.00 0.00 58.31 59.00 1ul4 n LYS 111 Cb 0.57 -4.49 0.11 0.00 -1.84 0.00 0.00 35.03 29.38 1ul4 n LYS 111 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1ul4 n ARG 112 N 1.82 2.36 -2.78 1.97 1.74 -1.26 -4.48 116.66 116.02 1ul4 n ARG 112 Ca 0.00 -2.88 -0.07 0.00 -0.77 0.00 0.00 57.85 54.13 1ul4 n ARG 112 Cb 0.00 -2.13 -0.02 0.00 -1.02 0.00 0.00 32.46 29.29 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 -0.83 -0.52 -3.98 0.55 7.64 -1.26 -4.89 113.62 110.33 1ul4 n SER 113 Ca 0.56 -1.90 -0.30 0.00 1.01 0.00 0.00 58.87 58.24 1ul4 n SER 113 Cb 1.05 1.02 0.24 0.00 -1.01 0.00 0.00 64.21 65.51 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 -4.81 0.87 -0.02 0.00 1.74 -1.26 -4.44 116.66 108.74 1ul4 n ARG 115 Ca 0.10 -1.93 -0.01 0.00 -0.77 0.00 0.00 57.85 55.24 1ul4 n ARG 115 Cb 0.59 -1.11 -0.00 0.00 -1.02 0.00 0.00 32.46 30.92 1ul4 n ARG 115 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1ul4 n ARG 116 N -0.86 0.11 -0.09 5.56 3.00 -1.26 -4.42 116.66 118.70 1ul4 n ARG 116 Ca 0.09 0.31 -0.11 0.00 -0.00 0.00 0.00 57.85 58.15 1ul4 n ARG 116 Cb 0.64 -0.97 -0.15 0.00 0.00 0.00 0.00 32.46 31.98 1ul4 n ARG 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1ul4 n ARG 117 N -2.81 0.68 -0.34 -0.14 1.74 -1.26 -4.36 116.66 110.16 1ul4 n ARG 117 Ca -0.02 0.06 0.01 0.00 -0.77 0.00 0.00 57.85 57.13 1ul4 n ARG 117 Cb 0.06 -1.56 0.17 0.00 -1.02 0.00 0.00 32.46 30.11 1ul4 n ARG 117 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1ul4 h LEU 118 N 0.00 1.05 -8.33 0.55 7.12 -1.86 -3.38 115.31 110.47 1ul4 h LEU 118 Ca -0.52 -0.01 -0.01 0.00 0.13 0.00 0.00 57.88 57.47 1ul4 h LEU 118 Cb 2.17 -0.24 -0.00 0.00 -0.53 0.00 0.00 40.66 42.06 1ul4 h LEU 118 CO 0.02 0.72 0.03 0.00 -0.13 0.00 0.00 178.44 179.09 1ul4 s ALA 119 N -6.03 0.70 0.00 1.25 0.00 -1.26 -4.77 121.76 111.65 1ul4 s ALA 119 Ca -0.12 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 50.99 1ul4 s ALA 119 Cb 0.19 -4.58 0.00 0.00 0.00 0.00 0.00 23.12 18.72 1ul4 s ALA 119 CO 0.81 -5.95 0.00 0.41 0.00 0.00 0.00 175.76 171.03 1ul4 n GLY 120 N 6.80 1.38 3.78 0.00 0.00 -1.26 -4.98 105.19 110.91 1ul4 n GLY 120 Ca 0.46 0.08 -0.31 0.00 0.00 0.00 0.00 46.02 46.25 1ul4 n GLY 120 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ul4 s HIS 121 N -1.00 2.74 -0.53 1.61 2.46 -1.26 -5.03 115.29 114.28 1ul4 s HIS 121 Ca 0.00 1.44 0.04 0.00 0.47 0.00 0.00 55.06 57.01 1ul4 s HIS 121 Cb 0.00 -3.01 0.15 0.00 -0.13 0.00 0.00 32.58 29.58 1ul4 s HIS 121 CO 0.00 -1.69 0.32 1.21 -2.47 0.00 0.00 174.74 172.11 1ul4 s ASN 122 N -3.57 3.94 -0.32 9.88 3.84 -1.26 -5.02 114.94 122.43 1ul4 s ASN 122 Ca 0.60 -3.09 -0.02 0.00 0.21 0.00 0.00 52.86 50.56 1ul4 s ASN 122 Cb -0.16 -1.31 0.12 0.00 -0.55 0.00 0.00 41.25 39.35 1ul4 s ASN 122 CO 0.56 -0.20 0.18 -1.61 -2.79 0.00 0.00 177.10 173.23 1ul4 s GLU 123 N -0.32 0.38 -0.12 0.43 2.02 -1.26 -4.98 118.70 114.85 1ul4 s GLU 123 Ca 0.21 -0.94 -0.06 0.00 0.02 0.00 0.00 54.97 54.19 1ul4 s GLU 123 Cb -0.17 -1.22 -0.26 0.00 0.10 0.00 0.00 34.13 32.58 1ul4 s GLU 123 CO -0.06 -1.12 0.37 0.54 0.02 0.00 0.00 175.26 175.01 1ul4 n ARG 124 N 4.61 0.75 -2.91 1.61 1.74 -1.26 -4.96 116.66 116.24 1ul4 n ARG 124 Ca 0.04 0.26 -0.20 0.00 -0.77 0.00 0.00 57.85 57.18 1ul4 n ARG 124 Cb 0.39 -1.71 0.06 0.00 -1.02 0.00 0.00 32.46 30.18 1ul4 n ARG 124 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1ul4 s ARG 125 N -2.56 2.33 -0.37 5.56 3.52 -1.26 -5.07 118.95 121.10 1ul4 s ARG 125 Ca -0.22 -1.37 0.13 0.00 -0.13 0.00 0.00 55.73 54.14 1ul4 s ARG 125 Cb 0.07 -2.60 0.38 0.00 -1.56 0.00 0.00 34.95 31.24 1ul4 s ARG 125 CO 0.77 -0.82 0.87 2.89 -0.81 0.00 0.00 175.30 178.20 1ul4 n ARG 126 N -2.27 1.04 -2.60 5.12 1.85 -1.26 -5.05 116.66 113.48 1ul4 n ARG 126 Ca 0.13 -3.09 -0.05 0.00 -1.00 0.00 0.00 57.85 53.84 1ul4 n ARG 126 Cb 0.61 -1.41 -0.04 0.00 -1.05 0.00 0.00 32.46 30.57 1ul4 n ARG 126 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1ul4 n LYS 127 N 0.14 -4.36 0.00 2.89 4.01 -1.26 -5.05 118.16 114.54 1ul4 n LYS 127 Ca 0.17 3.31 0.00 0.00 -0.51 0.00 0.00 58.31 61.28 1ul4 n LYS 127 Cb 0.72 -5.11 0.00 0.00 -0.51 0.00 0.00 35.03 30.13 1ul4 n LYS 127 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1ul4 n SER 128 N 1.48 0.00 -2.73 4.39 7.64 -1.26 -5.10 113.62 118.04 1ul4 n SER 128 Ca -0.34 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.52 1ul4 n SER 128 Cb 0.52 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 1ul4 n SER 128 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ul4 n SER 129 N -2.11 -7.90 -3.77 6.43 7.64 -1.26 -5.04 113.62 107.61 1ul4 n SER 129 Ca 0.00 1.12 -0.25 0.00 1.01 0.00 0.00 58.87 60.76 1ul4 n SER 129 Cb 0.00 -5.28 -0.17 0.00 -1.01 0.00 0.00 64.21 57.75 1ul4 n SER 129 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ul4 s GLY 130 N -1.92 0.58 0.00 0.23 0.00 -1.26 -5.30 107.32 99.64 1ul4 s GLY 130 Ca 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 44.72 44.47 1ul4 s GLY 130 CO 0.76 1.19 0.00 -2.21 0.00 0.00 0.00 173.10 172.85