#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 2.73 -0.07 3.23 3.00 -1.26 -4.27 118.95 122.32 1ul4 s ARG 52 Ca 0.00 -0.27 0.04 0.00 0.00 0.00 0.00 55.73 55.50 1ul4 s ARG 52 Cb 0.00 -4.97 -0.07 0.00 0.00 0.00 0.00 34.95 29.91 1ul4 s ARG 52 CO 0.00 -3.07 -0.01 1.28 0.00 0.00 0.00 175.30 173.50 1ul4 n LEU 53 N 12.91 1.05 -4.72 2.53 4.77 -1.26 -5.03 117.00 127.25 1ul4 n LEU 53 Ca 0.35 -0.01 -0.41 0.00 -0.03 0.00 0.00 56.01 55.90 1ul4 n LEU 53 Cb 0.48 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.58 1ul4 n LEU 53 CO 0.63 0.32 0.95 0.00 -1.33 0.00 0.00 177.39 177.96 1ul4 h GLN 55 N 2.39 0.04 -7.04 0.00 3.07 -1.17 -3.47 115.11 108.94 1ul4 h GLN 55 Ca -0.48 -0.07 -0.55 0.00 0.09 0.00 0.00 58.65 57.64 1ul4 h GLN 55 Cb 1.28 0.03 0.13 0.00 0.08 0.00 0.00 27.48 29.00 1ul4 h GLN 55 CO 0.61 0.88 0.62 0.08 0.09 0.00 0.00 178.83 181.11 1ul4 s VAL 56 N -2.66 2.14 0.48 1.86 1.01 -1.26 -5.01 120.40 116.95 1ul4 s VAL 56 Ca -0.02 0.11 -0.04 0.00 0.00 0.00 0.00 61.98 62.03 1ul4 s VAL 56 Cb 0.09 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 1ul4 s VAL 56 CO 0.83 0.00 0.76 -1.81 0.00 0.00 0.00 175.10 174.88 1ul4 s ASP 57 N -0.91 6.06 -1.19 3.32 1.01 -1.26 -4.09 116.67 119.61 1ul4 s ASP 57 Ca 0.69 0.71 0.00 0.00 0.71 0.00 0.00 52.55 54.67 1ul4 s ASP 57 Cb -0.40 -1.99 0.00 0.00 1.01 0.00 0.00 42.92 41.54 1ul4 s ASP 57 CO 0.48 -0.66 0.00 0.54 0.21 0.00 0.00 175.17 175.75 1ul4 n ARG 58 N -2.23 -1.08 -2.83 8.23 5.12 -1.26 -4.88 116.66 117.73 1ul4 n ARG 58 Ca 0.01 0.86 -0.41 0.00 -1.93 0.00 0.00 57.85 56.38 1ul4 n ARG 58 Cb 0.56 -4.95 -0.04 0.00 -1.16 0.00 0.00 32.46 26.87 1ul4 n ARG 58 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ul4 n THR 60 N 3.23 1.28 -2.68 0.00 5.66 -1.26 -5.07 114.28 115.44 1ul4 n THR 60 Ca 0.02 -1.85 -0.24 0.00 -3.05 0.00 0.00 64.05 58.92 1ul4 n THR 60 Cb 0.50 0.11 0.02 0.00 -1.55 0.00 0.00 70.33 69.42 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 -1.91 3.56 0.01 1.79 0.00 -1.26 -5.09 121.76 118.86 1ul4 s ALA 61 Ca 0.27 -0.93 -0.09 0.00 0.00 0.00 0.00 51.96 51.21 1ul4 s ALA 61 Cb 0.26 -2.34 -0.05 0.00 0.00 0.00 0.00 23.12 20.99 1ul4 s ALA 61 CO -0.03 -0.62 0.33 0.34 0.00 0.00 0.00 175.76 175.77 1ul4 s ASP 62 N -4.28 6.60 -0.12 0.00 -1.08 -1.26 -4.84 116.67 111.69 1ul4 s ASP 62 Ca 0.52 0.71 0.24 0.00 -0.52 0.00 0.00 52.55 53.51 1ul4 s ASP 62 Cb -0.10 -2.15 0.47 0.00 -1.46 0.00 0.00 42.92 39.67 1ul4 s ASP 62 CO 0.41 0.26 1.14 0.23 0.52 0.00 0.00 175.17 177.74 1ul4 n MET 63 N 1.32 0.80 -0.06 4.34 2.81 -1.26 -4.88 117.12 120.18 1ul4 n MET 63 Ca -0.12 -2.69 -0.05 0.00 -1.81 0.00 0.00 57.70 53.03 1ul4 n MET 63 Cb 0.53 -0.74 0.15 0.00 -0.71 0.00 0.00 33.22 32.45 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 1.72 0.70 -2.16 0.03 3.11 -1.94 -3.37 116.57 114.65 1ul4 h LYS 64 Ca -0.19 -0.24 -0.56 0.00 -2.81 0.00 0.00 60.65 56.85 1ul4 h LYS 64 Cb 1.61 -0.05 -0.37 0.00 -1.00 0.00 0.00 32.23 32.42 1ul4 h LYS 64 CO 0.14 0.81 -1.00 0.39 -2.81 0.00 0.00 179.45 176.98 1ul4 n GLU 65 N -4.15 0.38 -1.41 1.90 -0.58 -1.26 -5.04 120.64 110.47 1ul4 n GLU 65 Ca 0.01 -3.13 -0.10 0.00 -0.42 0.00 0.00 57.16 53.52 1ul4 n GLU 65 Cb 0.38 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.79 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 2.34 0.06 -2.76 0.62 0.00 -1.26 -5.11 120.51 114.40 1ul4 n ALA 66 Ca 0.26 -0.81 -0.21 0.00 0.00 0.00 0.00 53.44 52.68 1ul4 n ALA 66 Cb 0.50 0.13 -0.01 0.00 0.00 0.00 0.00 19.45 20.07 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 -3.53 3.36 0.61 0.00 2.47 -1.26 -4.90 119.74 116.48 1ul4 s LYS 67 Ca 0.28 -0.70 0.33 0.00 -1.56 0.00 0.00 55.97 54.32 1ul4 s LYS 67 Cb -0.02 -2.80 1.94 0.00 -1.46 0.00 0.00 37.83 35.49 1ul4 s LYS 67 CO 0.18 0.25 2.26 -0.07 0.16 0.00 0.00 175.35 178.13 1ul4 h LEU 68 N 0.97 0.00 0.13 5.43 3.38 -1.99 0.48 115.31 123.71 1ul4 h LEU 68 Ca -0.50 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.19 1ul4 h LEU 68 Cb 1.23 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.99 1ul4 h LEU 68 CO 0.59 0.00 -1.26 0.22 0.09 0.00 0.00 178.44 178.08 1ul4 h TYR 69 N 0.00 0.55 0.00 1.13 3.20 -1.98 -2.10 116.97 117.76 1ul4 h TYR 69 Ca 0.01 -0.40 -0.22 0.00 3.14 0.00 0.00 58.73 61.27 1ul4 h TYR 69 Cb 0.09 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 1ul4 h TYR 69 CO 0.00 1.31 -1.26 0.45 -1.64 0.00 0.00 178.16 177.02 1ul4 h HIS 70 N 0.09 0.00 0.04 -3.82 3.86 -1.47 -3.09 115.15 110.76 1ul4 h HIS 70 Ca -0.15 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.83 1ul4 h HIS 70 Cb 1.98 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 30.43 1ul4 h HIS 70 CO 0.07 0.85 -1.07 0.00 0.86 0.00 0.00 177.93 178.64 1ul4 h ARG 71 N 0.00 0.08 -0.07 2.45 2.47 -0.20 -1.52 114.38 117.60 1ul4 h ARG 71 Ca -0.13 -0.14 -0.23 0.00 -1.26 0.00 0.00 59.98 58.22 1ul4 h ARG 71 Cb 1.77 0.05 0.01 0.00 -1.65 0.00 0.00 29.97 30.14 1ul4 h ARG 71 CO 0.09 1.07 -0.87 -0.09 0.56 0.00 0.00 179.97 180.72 1ul4 h ARG 72 N 0.02 0.60 0.00 0.04 2.43 -1.49 -3.17 114.38 112.81 1ul4 h ARG 72 Ca -0.05 -0.55 0.00 0.00 -0.81 0.00 0.00 59.98 58.57 1ul4 h ARG 72 Cb 1.83 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 31.52 1ul4 h ARG 72 CO 0.15 1.17 -0.39 0.72 -1.51 0.00 0.00 179.97 180.12 1ul4 n HIS 73 N -3.85 0.29 -2.88 2.20 8.25 -1.17 -4.94 115.22 113.12 1ul4 n HIS 73 Ca -0.07 0.08 -0.18 0.00 -0.26 0.00 0.00 57.72 57.29 1ul4 n HIS 73 Cb 0.79 -0.51 0.03 0.00 1.12 0.00 0.00 29.99 31.42 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 -1.79 -4.03 -4.04 -0.41 5.02 -0.66 -4.87 118.16 107.38 1ul4 n LYS 74 Ca 0.05 0.74 -0.13 0.00 -2.02 0.00 0.00 58.31 56.94 1ul4 n LYS 74 Cb 0.38 -5.23 -0.13 0.00 -0.02 0.00 0.00 35.03 30.03 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 -3.06 0.30 0.58 -0.18 0.11 -0.69 -0.57 120.40 116.89 1ul4 s VAL 75 Ca 0.25 -0.47 0.03 0.00 -2.93 0.00 0.00 61.98 58.86 1ul4 s VAL 75 Cb -0.11 -0.31 0.06 0.00 -1.53 0.00 0.00 36.38 34.49 1ul4 s VAL 75 CO 0.31 -0.12 0.81 0.00 -3.33 0.00 0.00 175.10 172.77 1ul4 h GLU 77 N 0.00 0.62 -0.35 0.00 4.81 -1.96 0.35 114.58 118.05 1ul4 h GLU 77 Ca -0.38 -0.25 0.10 0.00 -0.13 0.00 0.00 59.36 58.69 1ul4 h GLU 77 Cb 1.28 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1ul4 h GLU 77 CO 0.46 0.82 0.25 0.28 -0.73 0.00 0.00 179.01 180.09 1ul4 h VAL 78 N 0.54 0.84 0.00 0.32 2.07 -1.96 -1.92 116.25 116.14 1ul4 h VAL 78 Ca 0.07 -0.01 -0.24 0.00 0.82 0.00 0.00 66.70 67.34 1ul4 h VAL 78 Cb 0.74 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 1ul4 h VAL 78 CO 0.06 0.01 -2.08 1.41 0.02 0.00 0.00 177.57 176.99 1ul4 n HIS 79 N -4.44 0.00 0.21 1.57 8.25 -1.07 -4.11 115.22 115.63 1ul4 n HIS 79 Ca 0.05 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.57 1ul4 n HIS 79 Cb 0.41 -0.73 0.55 0.00 1.12 0.00 0.00 29.99 31.33 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 1.00 1.82 -0.42 -1.41 0.00 0.19 -2.10 119.26 118.34 1ul4 h ALA 80 Ca -0.35 -0.08 -0.23 0.00 0.00 0.00 0.00 54.91 54.24 1ul4 h ALA 80 Cb 1.77 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 19.39 1ul4 h ALA 80 CO 0.02 0.14 -0.05 1.63 0.00 0.00 0.00 179.25 180.99 1ul4 n LYS 81 N -4.43 1.94 -3.23 0.00 5.02 -0.77 -4.92 118.16 111.77 1ul4 n LYS 81 Ca -0.02 -3.23 -0.39 0.00 -2.02 0.00 0.00 58.31 52.66 1ul4 n LYS 81 Cb 0.16 -1.87 -0.06 0.00 -0.02 0.00 0.00 35.03 33.25 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 -3.29 3.44 0.27 7.82 0.00 -0.79 -4.96 121.76 124.25 1ul4 s ALA 82 Ca 0.46 -0.07 0.08 0.00 0.00 0.00 0.00 51.96 52.43 1ul4 s ALA 82 Cb 0.42 -2.74 0.36 0.00 0.00 0.00 0.00 23.12 21.15 1ul4 s ALA 82 CO 0.00 0.01 1.62 0.77 0.00 0.00 0.00 175.76 178.16 1ul4 h SER 83 N 6.53 0.15 -1.13 0.00 0.02 -1.93 -3.42 113.55 113.76 1ul4 h SER 83 Ca -0.42 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.45 1ul4 h SER 83 Cb 1.19 -0.04 -0.22 0.00 0.14 0.00 0.00 62.40 63.46 1ul4 h SER 83 CO 0.74 0.68 -0.40 -0.94 -1.14 0.00 0.00 176.83 175.77 1ul4 s SER 84 N -6.88 -1.27 0.51 3.07 1.04 -1.26 -4.81 113.70 104.10 1ul4 s SER 84 Ca -0.03 0.12 -0.10 0.00 0.48 0.00 0.00 55.95 56.42 1ul4 s SER 84 Cb 0.13 1.88 -0.05 0.00 0.10 0.00 0.00 66.02 68.07 1ul4 s SER 84 CO 0.78 -0.31 0.89 -0.69 0.98 0.00 0.00 173.24 174.89 1ul4 s VAL 85 N 2.78 4.75 -0.84 5.02 1.01 -0.25 -4.87 120.40 128.01 1ul4 s VAL 85 Ca 0.10 0.69 -0.07 0.00 0.00 0.00 0.00 61.98 62.71 1ul4 s VAL 85 Cb -0.11 -3.81 0.21 0.00 0.00 0.00 0.00 36.38 32.68 1ul4 s VAL 85 CO -0.26 -0.83 0.74 0.12 0.00 0.00 0.00 175.10 174.87 1ul4 s PHE 86 N -2.76 3.78 -0.32 5.22 5.36 -1.26 -2.18 117.98 125.83 1ul4 s PHE 86 Ca 0.53 -2.60 -0.12 0.00 -0.96 0.00 0.00 56.93 53.77 1ul4 s PHE 86 Cb -0.10 -3.49 -0.03 0.00 -0.34 0.00 0.00 43.02 39.06 1ul4 s PHE 86 CO 0.42 -0.87 0.22 -0.51 -1.46 0.00 0.00 175.22 173.02 1ul4 s LEU 87 N -0.56 4.36 -1.68 6.12 1.43 -0.77 -4.33 118.68 123.25 1ul4 s LEU 87 Ca 0.22 -0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 53.00 1ul4 s LEU 87 Cb -0.12 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 43.97 1ul4 s LEU 87 CO -0.08 -0.18 0.24 -1.20 0.23 0.00 0.00 176.35 175.36 1ul4 n SER 88 N 5.09 -5.94 -1.09 2.29 7.64 -1.26 -1.34 113.62 119.01 1ul4 n SER 88 Ca -0.13 -0.12 -0.11 0.00 1.01 0.00 0.00 58.87 59.52 1ul4 n SER 88 Cb 0.50 -4.89 -0.02 0.00 -1.01 0.00 0.00 64.21 58.80 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 -1.21 0.28 3.16 0.23 0.00 -1.26 -5.02 105.19 101.37 1ul4 n GLY 89 Ca -0.19 -0.47 -0.18 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.85 2.27 -0.32 0.99 2.96 -0.45 -5.11 118.68 116.17 1ul4 s LEU 90 Ca 0.00 -0.61 -0.29 0.00 -0.22 0.00 0.00 54.13 53.01 1ul4 s LEU 90 Cb 0.00 -0.50 0.02 0.00 0.50 0.00 0.00 46.19 46.21 1ul4 s LEU 90 CO 0.00 -0.08 1.08 0.20 -1.32 0.00 0.00 176.35 176.23 1ul4 s ASN 91 N -1.72 6.91 0.13 3.68 0.01 -1.26 -1.84 114.94 120.85 1ul4 s ASN 91 Ca -0.02 1.03 0.03 0.00 -0.71 0.00 0.00 52.86 53.19 1ul4 s ASN 91 Cb -0.10 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 38.97 1ul4 s ASN 91 CO 0.02 -0.90 -0.07 -1.10 -1.51 0.00 0.00 177.10 173.54 1ul4 s GLN 92 N 3.70 0.96 0.08 -0.60 -0.21 -0.93 -2.27 119.66 120.39 1ul4 s GLN 92 Ca 0.46 -1.41 0.04 0.00 0.02 0.00 0.00 55.36 54.46 1ul4 s GLN 92 Cb -0.12 -0.37 -0.03 0.00 1.00 0.00 0.00 33.01 33.48 1ul4 s GLN 92 CO 0.16 -0.00 -0.10 1.03 -2.12 0.00 0.00 175.29 174.26 1ul4 s ARG 93 N -3.81 0.77 -0.35 2.91 1.81 -0.79 -1.09 118.95 118.40 1ul4 s ARG 93 Ca 0.16 -1.03 -0.28 0.00 -1.72 0.00 0.00 55.73 52.85 1ul4 s ARG 93 Cb 0.04 -0.53 0.02 0.00 -0.45 0.00 0.00 34.95 34.03 1ul4 s ARG 93 CO -0.01 0.09 1.04 0.12 -0.68 0.00 0.00 175.30 175.86 1ul4 s PHE 94 N -1.99 3.09 -0.73 -0.53 5.36 -1.26 -2.55 117.98 119.37 1ul4 s PHE 94 Ca 0.01 1.02 -0.21 0.00 -0.96 0.00 0.00 56.93 56.79 1ul4 s PHE 94 Cb -0.06 -3.77 0.10 0.00 -0.34 0.00 0.00 43.02 38.95 1ul4 s PHE 94 CO 0.00 -0.84 0.97 0.00 -1.46 0.00 0.00 175.22 173.89 1ul4 h GLN 96 N 9.27 0.00 -0.13 0.00 4.20 -1.91 1.12 115.11 127.66 1ul4 h GLN 96 Ca -0.15 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.58 1ul4 h GLN 96 Cb 1.06 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.82 1ul4 h GLN 96 CO 1.14 0.00 0.02 0.37 -0.67 0.00 0.00 178.83 179.70 1ul4 h GLN 97 N 0.00 0.07 -0.01 1.46 -0.00 -1.89 -3.18 115.11 111.56 1ul4 h GLN 97 Ca 0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.67 1ul4 h GLN 97 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.58 1ul4 h GLN 97 CO -0.00 0.05 -0.21 0.00 0.00 0.00 0.00 178.83 178.67 1ul4 n SER 99 N 0.01 0.00 -3.09 0.00 2.88 0.38 -4.97 113.62 108.84 1ul4 n SER 99 Ca 0.06 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.50 1ul4 n SER 99 Cb 0.28 -0.98 0.05 0.00 -0.75 0.00 0.00 64.21 62.81 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 -2.00 0.41 -4.22 -1.46 1.74 -1.18 -4.81 116.66 105.14 1ul4 n ARG 100 Ca 0.00 -1.16 -0.34 0.00 -0.77 0.00 0.00 57.85 55.58 1ul4 n ARG 100 Cb 0.00 -0.25 -0.14 0.00 -1.02 0.00 0.00 32.46 31.05 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 -1.03 2.88 0.32 -1.55 0.08 -1.26 -1.23 117.98 116.20 1ul4 s PHE 101 Ca 0.27 -0.96 0.10 0.00 0.12 0.00 0.00 56.93 56.46 1ul4 s PHE 101 Cb -0.02 -1.99 -0.06 0.00 -0.57 0.00 0.00 43.02 40.39 1ul4 s PHE 101 CO 0.18 -0.48 -0.11 -1.01 -0.10 0.00 0.00 175.22 173.70 1ul4 s HIS 102 N 1.09 2.40 1.00 0.36 3.76 -1.06 -4.97 115.29 117.87 1ul4 s HIS 102 Ca 0.00 -0.42 -0.12 0.00 -0.15 0.00 0.00 55.06 54.37 1ul4 s HIS 102 Cb -0.15 -1.26 0.15 0.00 1.11 0.00 0.00 32.58 32.43 1ul4 s HIS 102 CO -0.02 0.62 0.86 -3.47 -0.85 0.00 0.00 174.74 171.87 1ul4 n ASP 103 N -0.77 -0.89 0.12 1.40 2.03 -1.26 -1.88 116.55 115.31 1ul4 n ASP 103 Ca -0.05 0.23 -0.01 0.00 0.52 0.00 0.00 54.79 55.47 1ul4 n ASP 103 Cb 0.62 -1.33 0.10 0.00 -0.72 0.00 0.00 41.12 39.79 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 -2.02 0.00 -2.64 -2.67 5.85 -1.78 -3.10 115.31 108.95 1ul4 h LEU 104 Ca -0.48 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.25 1ul4 h LEU 104 Cb 1.29 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.32 1ul4 h LEU 104 CO 0.41 0.67 0.09 1.56 -0.34 0.00 0.00 178.44 180.83 1ul4 h GLN 105 N 0.00 0.00 0.00 1.25 4.20 -1.91 0.61 115.11 119.26 1ul4 h GLN 105 Ca -0.01 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.54 1ul4 h GLN 105 Cb 1.30 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.06 1ul4 h GLN 105 CO 0.09 0.00 -0.77 0.93 -0.67 0.00 0.00 178.83 178.40 1ul4 h GLU 106 N 0.00 0.00 -1.29 1.46 5.08 -1.91 -3.29 114.58 114.63 1ul4 h GLU 106 Ca 0.01 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.68 1ul4 h GLU 106 Cb 0.20 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 29.14 1ul4 h GLU 106 CO -0.00 0.77 0.67 1.19 -1.00 0.00 0.00 179.01 180.65 1ul4 n PHE 107 N -3.30 3.12 -2.26 4.33 3.72 0.20 -4.47 117.46 118.80 1ul4 n PHE 107 Ca 0.01 -2.75 -0.06 0.00 -0.05 0.00 0.00 57.45 54.59 1ul4 n PHE 107 Cb 0.84 -1.20 0.07 0.00 -0.94 0.00 0.00 39.48 38.26 1ul4 n PHE 107 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ul4 n ASP 108 N -0.77 2.60 0.00 4.37 -0.08 -1.21 -5.00 116.55 116.46 1ul4 n ASP 108 Ca 0.57 -2.96 0.00 0.00 -1.51 0.00 0.00 54.79 50.89 1ul4 n ASP 108 Cb 0.57 -0.41 0.00 0.00 2.34 0.00 0.00 41.12 43.62 1ul4 n ASP 108 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1ul4 n GLU 109 N -0.54 0.00 -0.91 -0.67 2.13 -1.26 -5.03 120.64 114.35 1ul4 n GLU 109 Ca 0.21 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.85 1ul4 n GLU 109 Cb 0.90 0.00 0.05 0.00 0.27 0.00 0.00 31.44 32.66 1ul4 n GLU 109 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ul4 n ALA 110 N -3.00 5.12 -3.24 4.31 0.00 -1.26 -4.59 120.51 117.84 1ul4 n ALA 110 Ca 0.00 -1.87 -0.13 0.00 0.00 0.00 0.00 53.44 51.44 1ul4 n ALA 110 Cb 0.00 -1.40 -0.05 0.00 0.00 0.00 0.00 19.45 18.00 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 -2.07 0.78 -0.81 0.00 1.02 -1.26 -5.03 119.74 112.37 1ul4 s LYS 111 Ca 0.35 -0.95 -0.06 0.00 0.02 0.00 0.00 55.97 55.33 1ul4 s LYS 111 Cb 0.28 -0.56 -0.02 0.00 -0.52 0.00 0.00 37.83 37.01 1ul4 s LYS 111 CO 0.01 -1.24 2.89 0.54 -0.92 0.00 0.00 175.35 176.62 1ul4 n ARG 112 N 3.88 3.17 0.00 1.68 1.74 -1.26 -4.04 116.66 121.83 1ul4 n ARG 112 Ca 0.15 -2.34 0.00 0.00 -0.77 0.00 0.00 57.85 54.89 1ul4 n ARG 112 Cb 0.49 -2.37 0.00 0.00 -1.02 0.00 0.00 32.46 29.56 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 1.97 0.00 -0.98 0.55 7.64 -1.26 -4.97 113.62 116.57 1ul4 n SER 113 Ca 0.57 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.52 1ul4 n SER 113 Cb 0.49 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.67 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 -2.55 1.36 -1.72 0.00 3.00 -1.26 -4.56 116.66 110.93 1ul4 n ARG 115 Ca 0.00 0.03 -0.42 0.00 -0.01 0.00 0.00 57.85 57.46 1ul4 n ARG 115 Cb 0.25 -1.31 -0.03 0.00 0.00 0.00 0.00 32.46 31.37 1ul4 n ARG 115 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1ul4 n ARG 116 N -2.65 2.76 0.00 5.56 0.63 -1.26 -0.92 116.66 120.78 1ul4 n ARG 116 Ca -0.23 1.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.70 1ul4 n ARG 116 Cb 0.85 -2.84 0.00 0.00 0.45 0.00 0.00 32.46 30.92 1ul4 n ARG 116 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1ul4 n ARG 117 N 3.83 0.00 -0.30 -0.14 5.12 -1.26 -4.34 116.66 119.56 1ul4 n ARG 117 Ca 0.15 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.21 1ul4 n ARG 117 Cb 0.35 0.00 0.30 0.00 -1.16 0.00 0.00 32.46 31.95 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 0.15 -9.02 0.55 7.12 -1.82 -3.38 115.31 108.91 1ul4 h LEU 118 Ca 0.00 0.18 -0.57 0.00 0.13 0.00 0.00 57.88 57.62 1ul4 h LEU 118 Cb 0.00 0.21 -0.03 0.00 -0.53 0.00 0.00 40.66 40.30 1ul4 h LEU 118 CO 0.00 -0.09 1.06 0.00 -0.13 0.00 0.00 178.44 179.28 1ul4 s ALA 119 N -5.91 3.34 0.19 1.25 0.00 -0.09 -4.71 121.76 115.82 1ul4 s ALA 119 Ca -0.12 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.20 1ul4 s ALA 119 Cb 0.25 -3.81 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1ul4 s ALA 119 CO 0.77 -1.83 0.00 0.41 0.00 0.00 0.00 175.76 175.12 1ul4 n GLY 120 N 4.47 -3.47 3.74 0.00 0.00 -1.26 -4.95 105.19 103.72 1ul4 n GLY 120 Ca 0.17 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 1ul4 n GLY 120 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ul4 s HIS 121 N -2.98 1.19 0.13 1.61 3.76 -1.26 -4.88 115.29 112.85 1ul4 s HIS 121 Ca 0.00 0.48 -0.13 0.00 -0.15 0.00 0.00 55.06 55.26 1ul4 s HIS 121 Cb 0.00 -3.69 -0.04 0.00 1.11 0.00 0.00 32.58 29.96 1ul4 s HIS 121 CO 0.00 -3.21 1.50 -2.95 -0.85 0.00 0.00 174.74 169.22 1ul4 h ASN 122 N -2.08 0.84 -4.18 1.40 7.08 -1.94 -3.44 115.58 113.26 1ul4 h ASN 122 Ca -0.46 -0.41 -0.47 0.00 -3.08 0.00 0.00 56.30 51.88 1ul4 h ASN 122 Cb 1.28 -0.23 0.02 0.00 -2.08 0.00 0.00 38.32 37.31 1ul4 h ASN 122 CO 0.40 1.07 0.37 -0.70 -2.08 0.00 0.00 177.43 176.49 1ul4 s GLU 123 N -4.60 3.86 0.28 4.14 2.12 -1.26 -5.08 118.70 118.15 1ul4 s GLU 123 Ca -0.12 1.04 0.06 0.00 0.36 0.00 0.00 54.97 56.31 1ul4 s GLU 123 Cb 0.10 -2.12 -0.06 0.00 0.26 0.00 0.00 34.13 32.32 1ul4 s GLU 123 CO 0.84 -0.35 -0.04 1.03 -0.54 0.00 0.00 175.26 176.19 1ul4 s ARG 124 N -3.94 1.55 -0.11 4.30 3.00 -1.26 -5.12 118.95 117.36 1ul4 s ARG 124 Ca 0.60 -1.79 -0.30 0.00 0.00 0.00 0.00 55.73 54.25 1ul4 s ARG 124 Cb -0.11 -1.10 0.09 0.00 0.00 0.00 0.00 34.95 33.82 1ul4 s ARG 124 CO 0.30 0.01 0.78 -0.98 0.00 0.00 0.00 175.30 175.41 1ul4 s ARG 125 N -3.75 0.89 0.44 3.54 3.03 -1.26 -5.19 118.95 116.66 1ul4 s ARG 125 Ca 0.30 0.34 0.03 0.00 2.03 0.00 0.00 55.73 58.43 1ul4 s ARG 125 Cb 0.04 0.42 -0.03 0.00 -1.03 0.00 0.00 34.95 34.35 1ul4 s ARG 125 CO 0.12 -0.25 0.04 1.03 -1.13 0.00 0.00 175.30 175.11 1ul4 s ARG 126 N -0.91 2.02 0.53 3.89 1.81 -1.26 -5.17 118.95 119.87 1ul4 s ARG 126 Ca -0.07 -2.23 0.08 0.00 -1.72 0.00 0.00 55.73 51.79 1ul4 s ARG 126 Cb -0.01 -1.23 0.06 0.00 -0.45 0.00 0.00 34.95 33.31 1ul4 s ARG 126 CO 0.06 -0.31 0.65 -1.59 -0.68 0.00 0.00 175.30 173.42 1ul4 s LYS 127 N -3.81 2.40 0.66 3.54 -2.85 -1.26 -5.02 119.74 113.40 1ul4 s LYS 127 Ca 0.19 -1.64 0.00 0.00 -1.00 0.00 0.00 55.97 53.52 1ul4 s LYS 127 Cb 0.04 -2.54 0.00 0.00 -2.06 0.00 0.00 37.83 33.27 1ul4 s LYS 127 CO 0.10 -0.66 0.00 0.43 0.10 0.00 0.00 175.35 175.32 1ul4 n SER 128 N -2.03 -7.94 -4.71 0.03 7.64 -1.26 -4.81 113.62 100.55 1ul4 n SER 128 Ca 0.10 1.23 -0.30 0.00 1.01 0.00 0.00 58.87 60.91 1ul4 n SER 128 Cb 0.62 -3.45 0.14 0.00 -1.01 0.00 0.00 64.21 60.50 1ul4 n SER 128 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ul4 s SER 129 N -6.47 3.53 0.00 6.43 0.15 -1.26 -4.82 113.70 111.25 1ul4 s SER 129 Ca 0.00 1.81 0.00 0.00 0.70 0.00 0.00 55.95 58.46 1ul4 s SER 129 Cb 0.00 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1ul4 s SER 129 CO 0.00 -2.65 0.00 0.61 1.20 0.00 0.00 173.24 172.40 1ul4 n GLY 130 N -0.65 1.01 0.59 9.45 0.00 -1.26 -5.14 105.19 109.19 1ul4 n GLY 130 Ca 0.09 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.11 1ul4 n GLY 130 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50