#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ul4 n ARG 52 N 0.00 0.25 -0.39 3.23 1.74 -1.26 -3.30 116.66 116.92 1ul4 n ARG 52 Ca 0.00 -3.09 0.06 0.00 -0.77 0.00 0.00 57.85 54.05 1ul4 n ARG 52 Cb 0.00 -1.62 0.19 0.00 -1.02 0.00 0.00 32.46 30.01 1ul4 n ARG 52 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1ul4 n LEU 53 N 2.74 3.03 -4.67 0.55 4.77 -1.26 -5.01 117.00 117.15 1ul4 n LEU 53 Ca 0.28 -3.39 -0.40 0.00 -0.03 0.00 0.00 56.01 52.47 1ul4 n LEU 53 Cb 0.49 -0.51 -0.05 0.00 -2.33 0.00 0.00 43.42 41.01 1ul4 n LEU 53 CO 0.08 0.96 0.40 0.00 -1.33 0.00 0.00 177.39 177.51 1ul4 h GLN 55 N 7.37 0.05 -6.86 0.00 3.07 -1.93 -3.44 115.11 113.37 1ul4 h GLN 55 Ca -0.32 -0.02 -0.54 0.00 0.09 0.00 0.00 58.65 57.86 1ul4 h GLN 55 Cb 1.15 -0.01 0.10 0.00 0.08 0.00 0.00 27.48 28.80 1ul4 h GLN 55 CO 0.78 0.32 0.81 0.28 0.09 0.00 0.00 178.83 181.10 1ul4 n VAL 56 N -4.21 1.57 -2.99 1.86 0.31 -1.26 -4.99 118.33 108.61 1ul4 n VAL 56 Ca -0.02 -0.39 -0.27 0.00 -0.01 0.00 0.00 64.34 63.65 1ul4 n VAL 56 Cb 0.33 -1.95 -0.01 0.00 -0.91 0.00 0.00 33.84 31.30 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 0.14 6.33 -1.92 4.52 1.11 -1.26 -4.12 116.67 121.47 1ul4 s ASP 57 Ca 0.58 0.78 0.00 0.00 0.18 0.00 0.00 52.55 54.09 1ul4 s ASP 57 Cb -0.49 -2.18 0.00 0.00 1.07 0.00 0.00 42.92 41.32 1ul4 s ASP 57 CO 0.57 -0.41 0.00 0.54 1.18 0.00 0.00 175.17 177.05 1ul4 n ARG 58 N -1.79 -1.52 -3.04 8.23 3.00 -1.26 -4.83 116.66 115.45 1ul4 n ARG 58 Ca -0.01 1.09 -0.39 0.00 -0.01 0.00 0.00 57.85 58.52 1ul4 n ARG 58 Cb 0.55 -5.59 -0.06 0.00 0.00 0.00 0.00 32.46 27.37 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 2.13 0.12 -1.73 0.00 5.66 -1.26 -5.01 114.28 114.18 1ul4 n THR 60 Ca -0.05 -0.18 -0.42 0.00 -3.05 0.00 0.00 64.05 60.34 1ul4 n THR 60 Cb 0.50 0.02 -0.03 0.00 -1.55 0.00 0.00 70.33 69.27 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 -2.38 3.90 0.12 1.79 0.00 -1.26 -4.97 121.76 118.97 1ul4 s ALA 61 Ca -0.03 1.60 -0.25 0.00 0.00 0.00 0.00 51.96 53.28 1ul4 s ALA 61 Cb 0.04 -3.69 -0.07 0.00 0.00 0.00 0.00 23.12 19.40 1ul4 s ALA 61 CO 0.27 -0.95 0.76 0.34 0.00 0.00 0.00 175.76 176.19 1ul4 s ASP 62 N 1.02 7.32 -0.64 0.00 2.15 -1.26 -4.98 116.67 120.28 1ul4 s ASP 62 Ca 0.72 1.56 -0.01 0.00 0.43 0.00 0.00 52.55 55.26 1ul4 s ASP 62 Cb -0.50 -2.48 0.43 0.00 -0.30 0.00 0.00 42.92 40.08 1ul4 s ASP 62 CO 0.36 0.15 1.91 0.23 -0.17 0.00 0.00 175.17 177.64 1ul4 n MET 63 N 2.01 2.84 0.07 4.34 2.81 -1.21 -4.66 117.12 123.32 1ul4 n MET 63 Ca -0.05 -3.47 -0.10 0.00 -1.81 0.00 0.00 57.70 52.27 1ul4 n MET 63 Cb 0.49 -2.28 -0.07 0.00 -0.71 0.00 0.00 33.22 30.65 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 2.19 -0.25 -2.13 0.03 3.64 -1.94 -3.32 116.57 114.79 1ul4 h LYS 64 Ca 0.56 0.02 -0.60 0.00 -1.27 0.00 0.00 60.65 59.36 1ul4 h LYS 64 Cb 0.78 0.06 -0.19 0.00 -0.41 0.00 0.00 32.23 32.47 1ul4 h LYS 64 CO 1.45 0.13 0.90 0.39 -2.27 0.00 0.00 179.45 180.05 1ul4 n GLU 65 N -4.95 3.02 -3.41 1.90 1.02 -1.26 -4.87 120.64 112.08 1ul4 n GLU 65 Ca -0.07 -2.85 -0.38 0.00 -0.02 0.00 0.00 57.16 53.84 1ul4 n GLU 65 Cb 0.25 -2.27 -0.06 0.00 -0.02 0.00 0.00 31.44 29.34 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 -2.10 3.65 0.71 0.62 0.00 -1.25 -5.08 121.76 118.30 1ul4 s ALA 66 Ca 0.56 -0.13 -0.11 0.00 0.00 0.00 0.00 51.96 52.28 1ul4 s ALA 66 Cb 0.35 -2.48 0.02 0.00 0.00 0.00 0.00 23.12 21.01 1ul4 s ALA 66 CO -0.22 0.45 1.09 0.21 0.00 0.00 0.00 175.76 177.29 1ul4 s LYS 67 N -1.20 2.77 0.60 0.00 2.47 -1.26 -4.77 119.74 118.35 1ul4 s LYS 67 Ca 0.27 0.38 0.29 0.00 -1.56 0.00 0.00 55.97 55.35 1ul4 s LYS 67 Cb -0.17 -2.04 1.61 0.00 -1.46 0.00 0.00 37.83 35.77 1ul4 s LYS 67 CO 0.16 -1.06 2.01 -0.07 0.16 0.00 0.00 175.35 176.55 1ul4 h LEU 68 N -0.65 0.00 0.25 5.43 4.07 -1.98 0.23 115.31 122.66 1ul4 h LEU 68 Ca -0.45 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 57.17 1ul4 h LEU 68 Cb 1.26 0.00 0.04 0.00 1.08 0.00 0.00 40.66 43.04 1ul4 h LEU 68 CO 0.64 0.00 -1.47 0.22 -1.08 0.00 0.00 178.44 176.75 1ul4 h TYR 69 N 0.00 0.99 0.00 1.13 3.20 -1.99 -2.31 116.97 117.99 1ul4 h TYR 69 Ca 0.12 -0.72 -0.09 0.00 3.14 0.00 0.00 58.73 61.18 1ul4 h TYR 69 Cb 0.76 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 1ul4 h TYR 69 CO 0.00 1.56 -0.44 0.45 -1.64 0.00 0.00 178.16 178.09 1ul4 h HIS 70 N 0.16 0.00 0.12 -3.82 3.86 -1.27 -2.87 115.15 111.32 1ul4 h HIS 70 Ca -0.25 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 58.80 1ul4 h HIS 70 Cb 2.16 0.00 0.02 0.00 1.06 0.00 0.00 27.41 30.65 1ul4 h HIS 70 CO 0.13 0.44 -0.67 0.00 0.86 0.00 0.00 177.93 178.69 1ul4 h ARG 71 N 0.00 0.25 -0.20 2.45 3.08 -0.71 -0.62 114.38 118.64 1ul4 h ARG 71 Ca -0.00 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 59.63 1ul4 h ARG 71 Cb 1.15 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.35 1ul4 h ARG 71 CO 0.06 1.20 0.13 -0.09 -1.07 0.00 0.00 179.97 180.20 1ul4 h ARG 72 N -0.48 0.26 0.00 0.04 2.43 -1.48 -2.37 114.38 112.77 1ul4 h ARG 72 Ca -0.12 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1ul4 h ARG 72 Cb 1.53 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 31.02 1ul4 h ARG 72 CO 0.13 0.18 -0.01 0.45 -1.51 0.00 0.00 179.97 179.21 1ul4 h HIS 73 N 0.26 0.00 -4.98 2.20 3.86 -1.64 -3.48 115.15 111.37 1ul4 h HIS 73 Ca 0.07 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.13 1ul4 h HIS 73 Cb -0.02 0.00 0.12 0.00 1.06 0.00 0.00 27.41 28.57 1ul4 h HIS 73 CO -0.06 0.01 -0.53 1.63 0.86 0.00 0.00 177.93 179.83 1ul4 n LYS 74 N -3.10 -1.65 -3.68 2.45 5.02 -0.37 -4.96 118.16 111.87 1ul4 n LYS 74 Ca 0.03 0.85 -0.12 0.00 -2.02 0.00 0.00 58.31 57.06 1ul4 n LYS 74 Cb 0.48 -5.03 -0.09 0.00 -0.02 0.00 0.00 35.03 30.38 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 -3.24 -0.00 0.80 -0.18 0.11 -0.46 -3.74 120.40 113.68 1ul4 s VAL 75 Ca 0.29 0.02 -0.10 0.00 -2.93 0.00 0.00 61.98 59.25 1ul4 s VAL 75 Cb -0.04 -0.78 0.08 0.00 -1.53 0.00 0.00 36.38 34.11 1ul4 s VAL 75 CO 0.61 0.01 1.10 0.00 -3.33 0.00 0.00 175.10 173.49 1ul4 h GLU 77 N -1.27 1.15 -0.01 0.00 4.22 -1.96 0.89 114.58 117.61 1ul4 h GLU 77 Ca -0.43 -0.14 -0.14 0.00 0.08 0.00 0.00 59.36 58.72 1ul4 h GLU 77 Cb 1.24 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 1ul4 h GLU 77 CO 0.49 0.85 -0.66 0.28 -2.18 0.00 0.00 179.01 177.79 1ul4 h VAL 78 N 1.16 1.47 0.00 0.32 2.07 -1.93 -2.95 116.25 116.38 1ul4 h VAL 78 Ca 0.29 -2.25 -0.18 0.00 0.82 0.00 0.00 66.70 65.37 1ul4 h VAL 78 Cb 0.05 2.21 -0.03 0.00 -1.52 0.00 0.00 31.29 32.00 1ul4 h VAL 78 CO -0.04 0.65 -1.12 0.45 0.02 0.00 0.00 177.57 177.53 1ul4 h HIS 79 N 0.02 0.00 -0.35 1.57 3.86 -1.74 -2.58 115.15 115.93 1ul4 h HIS 79 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1ul4 h HIS 79 Cb 1.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.65 1ul4 h HIS 79 CO 0.00 0.72 0.00 0.00 0.86 0.00 0.00 177.93 179.51 1ul4 n ALA 80 N -2.36 2.65 -2.01 2.45 0.00 0.30 -3.98 120.51 117.56 1ul4 n ALA 80 Ca -0.05 -0.74 -0.05 0.00 0.00 0.00 0.00 53.44 52.59 1ul4 n ALA 80 Cb 0.87 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.27 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 0.52 0.00 -0.63 0.00 5.02 -1.12 -5.01 118.16 116.94 1ul4 n LYS 81 Ca 0.13 -0.84 -0.02 0.00 -2.02 0.00 0.00 58.31 55.56 1ul4 n LYS 81 Cb 0.43 0.39 0.01 0.00 -0.02 0.00 0.00 35.03 35.84 1ul4 n LYS 81 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ul4 n ALA 82 N 0.01 -0.01 -0.05 7.82 0.00 -0.97 -4.97 120.51 122.34 1ul4 n ALA 82 Ca -0.22 -0.13 -0.06 0.00 0.00 0.00 0.00 53.44 53.04 1ul4 n ALA 82 Cb 0.67 0.02 -0.08 0.00 0.00 0.00 0.00 19.45 20.06 1ul4 n ALA 82 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ul4 n SER 83 N -3.01 2.50 -3.15 0.00 7.64 -1.26 -4.95 113.62 111.39 1ul4 n SER 83 Ca 0.01 -0.01 0.05 0.00 1.01 0.00 0.00 58.87 59.94 1ul4 n SER 83 Cb 0.04 0.64 -0.01 0.00 -1.01 0.00 0.00 64.21 63.87 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 -4.39 -0.52 0.39 6.43 1.04 -1.26 -4.88 113.70 110.51 1ul4 s SER 84 Ca -0.07 0.30 -0.05 0.00 0.48 0.00 0.00 55.95 56.61 1ul4 s SER 84 Cb 0.03 1.42 -0.05 0.00 0.10 0.00 0.00 66.02 67.53 1ul4 s SER 84 CO 0.41 -0.10 0.68 -0.69 0.98 0.00 0.00 173.24 174.53 1ul4 s VAL 85 N 2.95 4.95 -0.80 5.02 1.01 -0.39 -4.90 120.40 128.24 1ul4 s VAL 85 Ca 0.03 0.13 -0.16 0.00 0.00 0.00 0.00 61.98 61.98 1ul4 s VAL 85 Cb -0.10 -3.81 0.18 0.00 0.00 0.00 0.00 36.38 32.66 1ul4 s VAL 85 CO -0.13 -0.60 0.81 0.12 0.00 0.00 0.00 175.10 175.30 1ul4 s PHE 86 N -2.43 3.50 -0.28 5.22 5.36 -1.26 -2.33 117.98 125.76 1ul4 s PHE 86 Ca 0.46 -1.69 -0.07 0.00 -0.96 0.00 0.00 56.93 54.67 1ul4 s PHE 86 Cb -0.10 -3.94 -0.00 0.00 -0.34 0.00 0.00 43.02 38.64 1ul4 s PHE 86 CO 0.37 -1.13 0.07 -0.51 -1.46 0.00 0.00 175.22 172.56 1ul4 s LEU 87 N 1.10 3.65 -1.54 6.12 1.43 -1.21 -4.51 118.68 123.73 1ul4 s LEU 87 Ca 0.19 -0.53 -0.05 0.00 -1.03 0.00 0.00 54.13 52.70 1ul4 s LEU 87 Cb -0.12 -1.88 0.01 0.00 0.03 0.00 0.00 46.19 44.22 1ul4 s LEU 87 CO -0.06 -0.13 0.70 -0.24 0.23 0.00 0.00 176.35 176.84 1ul4 n SER 88 N 4.88 -6.21 -2.13 2.29 2.88 -1.26 -1.90 113.62 112.18 1ul4 n SER 88 Ca -0.15 -0.33 -0.15 0.00 -1.33 0.00 0.00 58.87 56.91 1ul4 n SER 88 Cb 0.49 -4.99 0.03 0.00 -0.75 0.00 0.00 64.21 58.99 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 -1.61 -0.11 0.17 0.46 0.00 -1.26 -5.01 105.19 97.83 1ul4 n GLY 89 Ca -0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 46.02 45.75 1ul4 n GLY 89 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ul4 n LEU 90 N -2.83 0.00 -3.84 0.99 7.94 -0.80 -5.12 117.00 113.34 1ul4 n LEU 90 Ca -0.07 -0.16 -0.29 0.00 -1.11 0.00 0.00 56.01 54.38 1ul4 n LEU 90 Cb 0.58 0.06 -0.13 0.00 0.53 0.00 0.00 43.42 44.46 1ul4 n LEU 90 CO 0.33 -0.03 -0.15 0.20 -1.11 0.00 0.00 177.39 176.63 1ul4 s ASN 91 N -1.13 4.16 0.36 1.96 0.01 -1.26 -3.28 114.94 115.77 1ul4 s ASN 91 Ca 0.01 -3.28 0.07 0.00 -0.71 0.00 0.00 52.86 48.96 1ul4 s ASN 91 Cb 0.00 -1.43 -0.02 0.00 0.41 0.00 0.00 41.25 40.21 1ul4 s ASN 91 CO 0.01 -0.17 0.39 -1.10 -1.51 0.00 0.00 177.10 174.71 1ul4 s GLN 92 N -0.60 2.80 0.01 -0.60 -0.21 -0.99 -1.84 119.66 118.23 1ul4 s GLN 92 Ca 0.21 -1.26 0.02 0.00 0.02 0.00 0.00 55.36 54.35 1ul4 s GLN 92 Cb -0.15 -2.58 -0.01 0.00 1.00 0.00 0.00 33.01 31.27 1ul4 s GLN 92 CO -0.08 -0.01 -0.06 1.03 -2.12 0.00 0.00 175.29 174.04 1ul4 s ARG 93 N -4.11 0.46 -0.18 2.91 1.81 0.01 -1.26 118.95 118.59 1ul4 s ARG 93 Ca 0.45 -0.38 -0.29 0.00 -1.72 0.00 0.00 55.73 53.79 1ul4 s ARG 93 Cb -0.07 -0.38 -0.02 0.00 -0.45 0.00 0.00 34.95 34.03 1ul4 s ARG 93 CO 0.29 0.09 1.45 0.12 -0.68 0.00 0.00 175.30 176.57 1ul4 s PHE 94 N -0.53 2.42 -0.52 -0.53 5.36 -1.26 -1.85 117.98 121.07 1ul4 s PHE 94 Ca -0.02 0.68 -0.18 0.00 -0.96 0.00 0.00 56.93 56.45 1ul4 s PHE 94 Cb -0.05 -3.80 0.08 0.00 -0.34 0.00 0.00 43.02 38.91 1ul4 s PHE 94 CO 0.00 -2.52 0.57 0.00 -1.46 0.00 0.00 175.22 171.82 1ul4 h GLN 96 N 8.97 0.00 -0.87 0.00 7.50 -1.87 0.94 115.11 129.78 1ul4 h GLN 96 Ca -0.28 0.00 0.05 0.00 0.50 0.00 0.00 58.65 58.92 1ul4 h GLN 96 Cb 1.10 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 28.57 1ul4 h GLN 96 CO 0.98 0.15 0.55 0.37 -1.50 0.00 0.00 178.83 179.37 1ul4 h GLN 97 N 0.00 0.99 -0.02 1.46 4.15 -1.93 -3.07 115.11 116.69 1ul4 h GLN 97 Ca -0.00 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1ul4 h GLN 97 Cb 0.36 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.83 1ul4 h GLN 97 CO 0.02 0.65 0.00 0.00 -1.93 0.00 0.00 178.83 177.57 1ul4 n SER 99 N 0.00 -3.16 -2.01 0.00 2.88 0.32 -4.94 113.62 106.72 1ul4 n SER 99 Ca 0.01 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1ul4 n SER 99 Cb 0.10 -2.58 0.00 0.00 -0.75 0.00 0.00 64.21 60.98 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 -0.68 1.04 -4.31 -1.46 5.12 -1.07 -4.84 116.66 110.46 1ul4 n ARG 100 Ca 0.00 -0.01 -0.33 0.00 -1.93 0.00 0.00 57.85 55.58 1ul4 n ARG 100 Cb 0.24 -0.00 -0.16 0.00 -1.16 0.00 0.00 32.46 31.38 1ul4 n ARG 100 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1ul4 s PHE 101 N 0.91 2.78 0.02 -1.55 0.40 -1.26 -0.59 117.98 118.68 1ul4 s PHE 101 Ca 0.00 -1.36 0.09 0.00 -0.60 0.00 0.00 56.93 55.06 1ul4 s PHE 101 Cb -0.00 -1.91 -0.03 0.00 0.51 0.00 0.00 43.02 41.59 1ul4 s PHE 101 CO 0.00 -0.66 -0.25 -1.01 0.70 0.00 0.00 175.22 174.00 1ul4 s HIS 102 N 1.10 2.35 1.03 0.36 3.76 -0.77 -4.93 115.29 118.20 1ul4 s HIS 102 Ca 0.00 -0.40 -0.13 0.00 -0.15 0.00 0.00 55.06 54.38 1ul4 s HIS 102 Cb -0.14 -1.44 0.16 0.00 1.11 0.00 0.00 32.58 32.27 1ul4 s HIS 102 CO -0.06 0.09 0.77 -3.47 -0.85 0.00 0.00 174.74 171.22 1ul4 n ASP 103 N 1.97 -1.20 0.22 1.40 2.03 -1.26 -0.81 116.55 118.90 1ul4 n ASP 103 Ca -0.17 0.15 0.14 0.00 0.52 0.00 0.00 54.79 55.44 1ul4 n ASP 103 Cb 0.52 -1.28 0.40 0.00 -0.72 0.00 0.00 41.12 40.04 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 -2.08 0.00 -2.10 -2.67 3.38 -1.69 -3.03 115.31 107.11 1ul4 h LEU 104 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1ul4 h LEU 104 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1ul4 h LEU 104 CO 0.41 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.94 1ul4 n GLN 105 N -2.93 2.75 -0.06 1.13 6.02 -1.26 -3.81 117.38 119.22 1ul4 n GLN 105 Ca 0.03 -1.55 -0.06 0.00 -0.01 0.00 0.00 57.00 55.41 1ul4 n GLN 105 Cb 0.42 -1.76 -0.09 0.00 1.02 0.00 0.00 30.24 29.83 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 0.38 2.13 -2.85 -1.09 -0.58 -1.15 -4.98 120.64 112.51 1ul4 n GLU 106 Ca 0.14 -0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.47 1ul4 n GLU 106 Cb 0.64 -1.28 -0.05 0.00 -0.57 0.00 0.00 31.44 30.18 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 -2.27 3.80 0.11 -0.32 0.08 -1.25 -4.85 117.98 113.29 1ul4 s PHE 107 Ca -0.06 1.67 0.02 0.00 0.12 0.00 0.00 56.93 58.68 1ul4 s PHE 107 Cb 0.03 -2.94 -0.04 0.00 -0.57 0.00 0.00 43.02 39.51 1ul4 s PHE 107 CO 0.45 0.27 0.20 0.16 -0.10 0.00 0.00 175.22 176.21 1ul4 s ASP 108 N -0.19 6.10 0.97 1.36 -4.77 -1.26 -4.99 116.67 113.89 1ul4 s ASP 108 Ca 0.42 0.14 0.00 0.00 -3.30 0.00 0.00 52.55 49.81 1ul4 s ASP 108 Cb -0.22 -1.80 0.00 0.00 -1.09 0.00 0.00 42.92 39.81 1ul4 s ASP 108 CO 0.27 0.12 0.00 -0.62 0.70 0.00 0.00 175.17 175.64 1ul4 n GLU 109 N -0.05 0.00 -1.08 2.11 1.02 -1.26 -3.47 120.64 117.91 1ul4 n GLU 109 Ca -0.07 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.83 1ul4 n GLU 109 Cb 0.53 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 32.01 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 1.23 5.63 -2.81 0.62 0.00 -1.26 -4.93 120.51 118.98 1ul4 n ALA 110 Ca 0.00 -2.46 -0.36 0.00 0.00 0.00 0.00 53.44 50.62 1ul4 n ALA 110 Cb 0.00 -1.54 -0.08 0.00 0.00 0.00 0.00 19.45 17.83 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 -2.71 3.45 -0.51 0.00 1.02 -1.23 -5.00 119.74 114.76 1ul4 s LYS 111 Ca 0.46 -0.23 0.01 0.00 0.02 0.00 0.00 55.97 56.22 1ul4 s LYS 111 Cb 0.36 -3.11 0.50 0.00 -0.52 0.00 0.00 37.83 35.06 1ul4 s LYS 111 CO -0.00 0.66 1.94 2.89 -0.92 0.00 0.00 175.35 179.92 1ul4 n ARG 112 N 2.33 2.35 -4.11 1.68 0.00 -1.26 -4.72 116.66 112.93 1ul4 n ARG 112 Ca -0.19 -2.86 -0.08 0.00 -0.00 0.00 0.00 57.85 54.72 1ul4 n ARG 112 Cb 0.54 -2.12 -0.10 0.00 -0.00 0.00 0.00 32.46 30.78 1ul4 n ARG 112 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1ul4 s SER 113 N -1.29 0.67 1.13 2.89 0.01 -1.26 -4.80 113.70 111.06 1ul4 s SER 113 Ca 0.55 -1.00 -0.14 0.00 1.31 0.00 0.00 55.95 56.67 1ul4 s SER 113 Cb 0.45 0.17 0.21 0.00 0.21 0.00 0.00 66.02 67.06 1ul4 s SER 113 CO 0.04 -0.56 0.48 0.00 0.41 0.00 0.00 173.24 173.61 1ul4 n ARG 115 N -3.22 0.34 -0.01 0.00 -4.01 -1.26 -4.53 116.66 103.98 1ul4 n ARG 115 Ca 0.08 -0.86 -0.15 0.00 -1.04 0.00 0.00 57.85 55.88 1ul4 n ARG 115 Cb 0.33 -0.60 -0.14 0.00 -3.04 0.00 0.00 32.46 29.01 1ul4 n ARG 115 CO 0.00 0.00 0.00 -2.13 -3.04 0.00 0.00 177.63 172.46 1ul4 n ARG 116 N -0.12 0.70 -0.06 2.89 3.00 -1.26 -3.70 116.66 118.11 1ul4 n ARG 116 Ca 0.01 0.28 -0.06 0.00 -0.00 0.00 0.00 57.85 58.08 1ul4 n ARG 116 Cb 0.55 -1.75 -0.08 0.00 0.00 0.00 0.00 32.46 31.18 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 -3.27 1.69 0.03 -0.14 0.00 -1.26 -4.69 116.66 109.02 1ul4 n ARG 117 Ca -0.24 0.02 -0.12 0.00 -0.00 0.00 0.00 57.85 57.50 1ul4 n ARG 117 Cb 1.05 -1.26 -0.09 0.00 0.00 0.00 0.00 32.46 32.16 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 -0.12 -8.19 6.15 5.85 -1.80 -3.39 115.31 113.81 1ul4 h LEU 118 Ca -0.29 -0.42 -0.65 0.00 0.84 0.00 0.00 57.88 57.37 1ul4 h LEU 118 Cb 1.58 0.03 -0.15 0.00 0.37 0.00 0.00 40.66 42.49 1ul4 h LEU 118 CO -0.00 0.40 0.57 0.00 -0.34 0.00 0.00 178.44 179.07 1ul4 s ALA 119 N -4.03 3.18 -0.04 1.25 0.00 -1.24 -5.01 121.76 115.87 1ul4 s ALA 119 Ca -0.15 -2.06 0.06 0.00 0.00 0.00 0.00 51.96 49.82 1ul4 s ALA 119 Cb 0.01 -3.88 -0.02 0.00 0.00 0.00 0.00 23.12 19.24 1ul4 s ALA 119 CO 0.58 -2.79 -0.23 0.20 0.00 0.00 0.00 175.76 173.52 1ul4 s GLY 120 N 3.69 1.34 0.35 0.00 0.00 -1.26 -4.64 107.32 106.79 1ul4 s GLY 120 Ca 0.23 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 43.89 1ul4 s GLY 120 CO 0.06 -0.80 0.00 1.42 0.00 0.00 0.00 173.10 173.77 1ul4 n HIS 121 N 2.57 -3.67 -4.40 1.90 8.25 -1.26 -5.00 115.22 113.62 1ul4 n HIS 121 Ca -0.17 1.83 -0.21 0.00 -0.26 0.00 0.00 57.72 58.92 1ul4 n HIS 121 Cb 0.52 -3.33 -0.06 0.00 1.12 0.00 0.00 29.99 28.23 1ul4 n HIS 121 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1ul4 n ASN 122 N -4.29 1.00 -4.66 0.41 0.23 -1.26 -5.11 115.26 101.58 1ul4 n ASN 122 Ca 0.01 -2.81 -0.43 0.00 -0.53 0.00 0.00 54.58 50.82 1ul4 n ASN 122 Cb 0.67 0.92 -0.02 0.00 -2.08 0.00 0.00 39.78 39.26 1ul4 n ASN 122 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1ul4 s GLU 123 N -3.28 4.20 0.20 -3.83 2.02 -1.26 -4.99 118.70 111.76 1ul4 s GLU 123 Ca 0.19 1.44 -0.20 0.00 0.02 0.00 0.00 54.97 56.41 1ul4 s GLU 123 Cb 0.01 -3.72 0.04 0.00 0.10 0.00 0.00 34.13 30.56 1ul4 s GLU 123 CO 0.13 -0.73 0.59 1.03 0.02 0.00 0.00 175.26 176.31 1ul4 s ARG 124 N 3.44 1.42 -0.51 1.61 1.81 -1.26 -5.04 118.95 120.42 1ul4 s ARG 124 Ca 0.49 -0.74 0.01 0.00 -1.72 0.00 0.00 55.73 53.78 1ul4 s ARG 124 Cb -0.17 0.57 0.53 0.00 -0.45 0.00 0.00 34.95 35.42 1ul4 s ARG 124 CO 0.12 -0.62 1.94 2.89 -0.68 0.00 0.00 175.30 178.94 1ul4 n ARG 125 N -0.38 2.35 -3.64 3.54 1.85 -1.26 -4.86 116.66 114.26 1ul4 n ARG 125 Ca -0.12 -2.93 -0.06 0.00 -1.00 0.00 0.00 57.85 53.75 1ul4 n ARG 125 Cb 0.63 -2.15 -0.07 0.00 -1.05 0.00 0.00 32.46 29.82 1ul4 n ARG 125 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 1ul4 s ARG 126 N -3.30 0.61 0.00 2.89 1.70 -1.26 -5.06 118.95 114.53 1ul4 s ARG 126 Ca 0.57 1.01 0.00 0.00 -0.47 0.00 0.00 55.73 56.84 1ul4 s ARG 126 Cb 0.46 0.14 0.00 0.00 -0.57 0.00 0.00 34.95 34.98 1ul4 s ARG 126 CO 0.05 -0.12 0.00 1.63 -1.08 0.00 0.00 175.30 175.78 1ul4 n LYS 127 N 3.94 0.00 -1.22 3.89 5.02 -1.26 -4.88 118.16 123.65 1ul4 n LYS 127 Ca -0.19 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.80 1ul4 n LYS 127 Cb 0.58 -0.16 0.07 0.00 -0.02 0.00 0.00 35.03 35.50 1ul4 n LYS 127 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1ul4 n SER 128 N -2.17 7.37 -0.00 4.39 2.88 -1.26 -4.30 113.62 120.52 1ul4 n SER 128 Ca 0.00 -3.61 -0.16 0.00 -1.33 0.00 0.00 58.87 53.77 1ul4 n SER 128 Cb 0.00 -1.00 -0.14 0.00 -0.75 0.00 0.00 64.21 62.32 1ul4 n SER 128 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ul4 n SER 129 N -0.61 1.60 -2.60 -3.46 3.41 -1.26 -4.77 113.62 105.93 1ul4 n SER 129 Ca 0.55 0.31 -0.05 0.00 -0.26 0.00 0.00 58.87 59.42 1ul4 n SER 129 Cb 0.65 -0.54 0.08 0.00 -0.26 0.00 0.00 64.21 64.14 1ul4 n SER 129 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ul4 n GLY 130 N 1.80 0.70 0.93 5.00 0.00 -1.26 -5.26 105.19 107.11 1ul4 n GLY 130 Ca -0.25 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 45.80 1ul4 n GLY 130 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11