#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 3.13 -0.03 3.23 5.12 -1.26 -4.43 116.66 122.42 1ul4 n ARG 52 Ca 0.00 -3.10 -0.03 0.00 -1.93 0.00 0.00 57.85 52.79 1ul4 n ARG 52 Cb 0.00 -3.28 -0.06 0.00 -1.16 0.00 0.00 32.46 27.96 1ul4 n ARG 52 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1ul4 n LEU 53 N 6.54 0.00 -4.68 0.55 4.77 -1.26 -5.00 117.00 117.92 1ul4 n LEU 53 Ca 0.48 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.99 1ul4 n LEU 53 Cb 0.41 0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.63 1ul4 n LEU 53 CO 0.81 0.17 1.44 0.00 -1.33 0.00 0.00 177.39 178.48 1ul4 h GLN 55 N 8.58 0.00 -7.02 0.00 3.07 -1.79 -3.43 115.11 114.53 1ul4 h GLN 55 Ca -0.48 0.00 -0.53 0.00 0.09 0.00 0.00 58.65 57.73 1ul4 h GLN 55 Cb 1.26 0.00 0.11 0.00 0.08 0.00 0.00 27.48 28.92 1ul4 h GLN 55 CO 0.93 0.00 0.57 0.08 0.09 0.00 0.00 178.83 180.51 1ul4 s VAL 56 N -4.96 2.47 0.43 1.86 1.01 -1.26 -5.02 120.40 114.94 1ul4 s VAL 56 Ca -0.05 0.36 -0.03 0.00 0.00 0.00 0.00 61.98 62.27 1ul4 s VAL 56 Cb 0.17 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 1ul4 s VAL 56 CO 0.64 0.01 0.70 -1.81 0.00 0.00 0.00 175.10 174.63 1ul4 s ASP 57 N -1.04 6.25 -1.60 3.32 1.01 -1.26 -4.12 116.67 119.23 1ul4 s ASP 57 Ca 0.67 0.72 0.00 0.00 0.71 0.00 0.00 52.55 54.65 1ul4 s ASP 57 Cb -0.36 -2.13 0.00 0.00 1.01 0.00 0.00 42.92 41.43 1ul4 s ASP 57 CO 0.44 -0.49 0.00 -1.14 0.21 0.00 0.00 175.17 174.19 1ul4 n ARG 58 N -2.08 -1.12 -3.30 8.23 0.63 -1.26 -4.94 116.66 112.81 1ul4 n ARG 58 Ca -0.01 1.02 -0.38 0.00 -0.92 0.00 0.00 57.85 57.56 1ul4 n ARG 58 Cb 0.56 -5.19 -0.06 0.00 0.45 0.00 0.00 32.46 28.21 1ul4 n ARG 58 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ul4 n THR 60 N 2.07 0.97 -3.37 0.00 5.66 -1.26 -5.04 114.28 113.32 1ul4 n THR 60 Ca -0.10 -2.35 -0.33 0.00 -3.05 0.00 0.00 64.05 58.22 1ul4 n THR 60 Cb 0.51 0.90 -0.06 0.00 -1.55 0.00 0.00 70.33 70.14 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 3.54 -0.26 1.79 0.00 -1.26 -5.05 121.76 118.14 1ul4 s ALA 61 Ca 0.32 -0.20 -0.20 0.00 0.00 0.00 0.00 51.96 51.88 1ul4 s ALA 61 Cb 0.36 -2.50 -0.02 0.00 0.00 0.00 0.00 23.12 20.96 1ul4 s ALA 61 CO -0.08 0.48 0.62 0.34 0.00 0.00 0.00 175.76 177.11 1ul4 s ASP 62 N -2.22 6.55 -0.39 0.00 -1.08 -1.26 -4.11 116.67 114.16 1ul4 s ASP 62 Ca 0.46 0.64 0.06 0.00 -0.52 0.00 0.00 52.55 53.19 1ul4 s ASP 62 Cb -0.12 -2.33 0.54 0.00 -1.46 0.00 0.00 42.92 39.55 1ul4 s ASP 62 CO 0.20 -0.38 1.65 0.23 0.52 0.00 0.00 175.17 177.39 1ul4 n MET 63 N 5.73 2.26 0.07 4.34 2.81 -1.26 -4.58 117.12 126.49 1ul4 n MET 63 Ca -0.01 -3.26 -0.10 0.00 -1.81 0.00 0.00 57.70 52.52 1ul4 n MET 63 Cb 0.49 -2.04 -0.00 0.00 -0.71 0.00 0.00 33.22 30.96 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 1.27 0.31 -1.87 0.03 3.64 -1.94 -3.34 116.57 114.67 1ul4 h LYS 64 Ca 0.41 -0.31 -0.55 0.00 -1.27 0.00 0.00 60.65 58.93 1ul4 h LYS 64 Cb 1.87 0.08 -0.42 0.00 -0.41 0.00 0.00 32.23 33.35 1ul4 h LYS 64 CO 0.81 0.99 -0.79 0.39 -2.27 0.00 0.00 179.45 178.58 1ul4 n GLU 65 N -3.74 2.83 -3.00 1.90 -0.58 -1.26 -5.07 120.64 111.71 1ul4 n GLU 65 Ca -0.05 -4.41 -0.19 0.00 -0.42 0.00 0.00 57.16 52.10 1ul4 n GLU 65 Cb 0.78 -2.08 0.04 0.00 -0.57 0.00 0.00 31.44 29.61 1ul4 n GLU 65 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ul4 s ALA 66 N -3.34 4.57 0.68 0.62 0.00 -1.25 -5.12 121.76 117.92 1ul4 s ALA 66 Ca 0.45 -1.90 -0.07 0.00 0.00 0.00 0.00 51.96 50.45 1ul4 s ALA 66 Cb 0.35 -1.57 0.04 0.00 0.00 0.00 0.00 23.12 21.94 1ul4 s ALA 66 CO -0.13 -0.62 1.00 0.21 0.00 0.00 0.00 175.76 176.21 1ul4 s LYS 67 N -4.55 2.46 0.56 0.00 2.20 -1.26 -4.92 119.74 114.23 1ul4 s LYS 67 Ca 0.59 -0.09 0.34 0.00 -0.36 0.00 0.00 55.97 56.45 1ul4 s LYS 67 Cb -0.08 -2.17 1.49 0.00 -1.51 0.00 0.00 37.83 35.56 1ul4 s LYS 67 CO 0.36 -1.08 2.03 -0.07 -0.36 0.00 0.00 175.35 176.24 1ul4 h LEU 68 N -0.50 0.00 0.16 5.43 3.38 -1.99 -1.73 115.31 120.06 1ul4 h LEU 68 Ca -0.45 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.30 1ul4 h LEU 68 Cb 1.29 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.07 1ul4 h LEU 68 CO 0.61 0.02 -0.97 0.22 0.09 0.00 0.00 178.44 178.41 1ul4 h TYR 69 N 0.00 0.66 0.00 1.13 3.20 -1.99 -2.35 116.97 117.63 1ul4 h TYR 69 Ca -0.00 -0.48 -0.08 0.00 3.14 0.00 0.00 58.73 61.31 1ul4 h TYR 69 Cb 0.45 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 1ul4 h TYR 69 CO 0.00 1.37 -0.37 0.45 -1.64 0.00 0.00 178.16 177.97 1ul4 h HIS 70 N -0.23 0.00 0.14 -3.82 3.86 -1.77 -2.90 115.15 110.43 1ul4 h HIS 70 Ca -0.17 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 58.86 1ul4 h HIS 70 Cb 1.76 0.00 0.02 0.00 1.06 0.00 0.00 27.41 30.25 1ul4 h HIS 70 CO 0.18 0.37 -0.82 0.00 0.86 0.00 0.00 177.93 178.53 1ul4 h ARG 71 N 0.00 0.30 -0.02 2.45 3.08 -1.40 -0.46 114.38 118.33 1ul4 h ARG 71 Ca -0.00 -0.52 0.01 0.00 0.07 0.00 0.00 59.98 59.54 1ul4 h ARG 71 Cb 0.99 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 1ul4 h ARG 71 CO 0.05 1.25 -0.03 -0.09 -1.07 0.00 0.00 179.97 180.08 1ul4 h ARG 72 N -0.36 -0.04 0.00 0.04 2.43 -1.45 -1.71 114.38 113.29 1ul4 h ARG 72 Ca -0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1ul4 h ARG 72 Cb 1.64 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.20 1ul4 h ARG 72 CO 0.15 -0.03 0.00 0.72 -1.51 0.00 0.00 179.97 179.31 1ul4 n HIS 73 N -5.13 0.38 -3.24 2.20 8.25 -1.10 -4.92 115.22 111.67 1ul4 n HIS 73 Ca -0.06 0.14 -0.15 0.00 -0.26 0.00 0.00 57.72 57.38 1ul4 n HIS 73 Cb 0.07 -0.72 0.08 0.00 1.12 0.00 0.00 29.99 30.53 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 -1.83 -4.67 -3.66 -0.41 4.76 -0.64 -4.87 118.16 106.84 1ul4 n LYS 74 Ca 0.04 0.78 -0.15 0.00 -2.87 0.00 0.00 58.31 56.11 1ul4 n LYS 74 Cb 0.26 -5.54 -0.08 0.00 -1.84 0.00 0.00 35.03 27.83 1ul4 n LYS 74 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1ul4 s VAL 75 N -3.34 0.03 0.33 -0.18 0.11 -0.22 -2.25 120.40 114.88 1ul4 s VAL 75 Ca 0.15 -0.21 -0.01 0.00 -2.93 0.00 0.00 61.98 58.98 1ul4 s VAL 75 Cb -0.02 -0.78 -0.04 0.00 -1.53 0.00 0.00 36.38 34.01 1ul4 s VAL 75 CO 0.67 -0.11 0.55 0.00 -3.33 0.00 0.00 175.10 172.88 1ul4 h GLU 77 N 0.99 0.37 -0.78 0.00 4.81 -1.96 0.14 114.58 118.14 1ul4 h GLU 77 Ca -0.49 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 58.78 1ul4 h GLU 77 Cb 1.21 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.45 1ul4 h GLU 77 CO 0.63 0.29 0.45 0.28 -0.73 0.00 0.00 179.01 179.93 1ul4 h VAL 78 N 0.37 0.96 0.00 0.32 2.07 -1.94 -0.38 116.25 117.65 1ul4 h VAL 78 Ca 0.10 -0.27 -0.27 0.00 0.82 0.00 0.00 66.70 67.07 1ul4 h VAL 78 Cb 0.04 0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 29.85 1ul4 h VAL 78 CO -0.01 0.15 -1.67 1.41 0.02 0.00 0.00 177.57 177.46 1ul4 n HIS 79 N -4.73 1.00 0.22 1.57 8.25 -0.95 -2.77 115.22 117.81 1ul4 n HIS 79 Ca 0.12 0.36 0.06 0.00 -0.26 0.00 0.00 57.72 57.99 1ul4 n HIS 79 Cb 0.22 -1.17 0.51 0.00 1.12 0.00 0.00 29.99 30.67 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 1.06 1.58 -0.61 -1.41 0.00 -0.39 -3.10 119.26 116.39 1ul4 h ALA 80 Ca -0.27 -0.19 -0.40 0.00 0.00 0.00 0.00 54.91 54.05 1ul4 h ALA 80 Cb 1.95 -0.03 -0.42 0.00 0.00 0.00 0.00 17.79 19.29 1ul4 h ALA 80 CO 0.07 0.26 -0.96 1.17 0.00 0.00 0.00 179.25 179.79 1ul4 n LYS 81 N -4.18 2.70 -0.02 0.00 4.81 -0.18 -4.75 118.16 116.55 1ul4 n LYS 81 Ca -0.02 -3.85 -0.09 0.00 -0.87 0.00 0.00 58.31 53.48 1ul4 n LYS 81 Cb 0.27 -1.95 -0.14 0.00 0.02 0.00 0.00 35.03 33.23 1ul4 n LYS 81 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ul4 h ALA 82 N 2.40 0.75 -0.01 3.14 0.00 -1.43 -3.48 119.26 120.62 1ul4 h ALA 82 Ca 0.12 -1.44 -0.01 0.00 0.00 0.00 0.00 54.91 53.59 1ul4 h ALA 82 Cb 1.40 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 19.66 1ul4 h ALA 82 CO 0.48 1.57 -0.00 0.43 0.00 0.00 0.00 179.25 181.73 1ul4 n SER 83 N -3.07 -4.56 -3.15 0.00 7.64 -1.26 -4.89 113.62 104.33 1ul4 n SER 83 Ca -0.16 0.01 0.05 0.00 1.01 0.00 0.00 58.87 59.77 1ul4 n SER 83 Cb 1.05 -2.08 -0.03 0.00 -1.01 0.00 0.00 64.21 62.14 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 -2.02 -0.02 0.12 6.43 1.04 -1.26 -4.93 113.70 113.06 1ul4 s SER 84 Ca 0.00 0.02 0.05 0.00 0.48 0.00 0.00 55.95 56.50 1ul4 s SER 84 Cb 0.00 1.02 -0.04 0.00 0.10 0.00 0.00 66.02 67.10 1ul4 s SER 84 CO 0.00 -0.00 -0.11 -0.69 0.98 0.00 0.00 173.24 173.41 1ul4 s VAL 85 N 2.65 1.16 -0.77 5.02 1.01 -0.71 -4.96 120.40 123.80 1ul4 s VAL 85 Ca -0.07 -1.81 -0.15 0.00 0.00 0.00 0.00 61.98 59.95 1ul4 s VAL 85 Cb -0.05 -1.59 0.20 0.00 0.00 0.00 0.00 36.38 34.94 1ul4 s VAL 85 CO -0.10 -0.57 0.72 0.12 0.00 0.00 0.00 175.10 175.27 1ul4 s PHE 86 N -2.63 3.63 -0.34 5.22 5.36 -1.26 -1.74 117.98 126.20 1ul4 s PHE 86 Ca 0.11 -1.81 -0.08 0.00 -0.96 0.00 0.00 56.93 54.18 1ul4 s PHE 86 Cb -0.02 -3.83 0.03 0.00 -0.34 0.00 0.00 43.02 38.86 1ul4 s PHE 86 CO 0.01 -1.01 0.14 -1.17 -1.46 0.00 0.00 175.22 171.73 1ul4 s LEU 87 N 0.58 4.38 -1.51 6.12 2.96 0.76 -4.53 118.68 127.44 1ul4 s LEU 87 Ca 0.15 -0.97 -0.06 0.00 -0.22 0.00 0.00 54.13 53.03 1ul4 s LEU 87 Cb -0.14 -1.94 0.02 0.00 0.50 0.00 0.00 46.19 44.62 1ul4 s LEU 87 CO -0.06 -0.32 0.65 -0.24 -1.32 0.00 0.00 176.35 175.06 1ul4 n SER 88 N 4.90 -5.85 -0.75 3.68 2.88 -1.26 -1.36 113.62 115.87 1ul4 n SER 88 Ca -0.13 -0.33 -0.07 0.00 -1.33 0.00 0.00 58.87 57.01 1ul4 n SER 88 Cb 0.46 -4.73 -0.01 0.00 -0.75 0.00 0.00 64.21 59.18 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 -1.53 0.35 2.98 0.46 0.00 -1.26 -5.03 105.19 101.16 1ul4 n GLY 89 Ca -0.09 -0.62 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.96 2.22 -0.17 0.99 1.02 -0.46 -5.12 118.68 115.20 1ul4 s LEU 90 Ca 0.00 -0.47 -0.29 0.00 0.02 0.00 0.00 54.13 53.39 1ul4 s LEU 90 Cb 0.00 0.07 -0.00 0.00 0.02 0.00 0.00 46.19 46.28 1ul4 s LEU 90 CO 0.00 -0.27 1.03 0.20 0.02 0.00 0.00 176.35 177.32 1ul4 s ASN 91 N -1.36 7.17 0.16 2.29 -0.87 -1.25 -0.17 114.94 120.90 1ul4 s ASN 91 Ca -0.14 1.46 0.03 0.00 -1.57 0.00 0.00 52.86 52.64 1ul4 s ASN 91 Cb -0.09 -2.55 -0.05 0.00 -0.02 0.00 0.00 41.25 38.54 1ul4 s ASN 91 CO -0.01 -0.56 -0.06 -1.10 -2.57 0.00 0.00 177.10 172.80 1ul4 s GLN 92 N 2.61 1.08 0.09 -0.60 -0.21 -0.71 -1.49 119.66 120.42 1ul4 s GLN 92 Ca 0.46 -1.49 0.05 0.00 0.02 0.00 0.00 55.36 54.41 1ul4 s GLN 92 Cb -0.17 -0.48 -0.03 0.00 1.00 0.00 0.00 33.01 33.33 1ul4 s GLN 92 CO 0.12 -0.01 -0.14 1.03 -2.12 0.00 0.00 175.29 174.18 1ul4 s ARG 93 N -3.81 0.87 -0.46 2.91 0.52 -0.54 -1.74 118.95 116.69 1ul4 s ARG 93 Ca 0.19 -1.04 -0.29 0.00 -0.52 0.00 0.00 55.73 54.07 1ul4 s ARG 93 Cb 0.04 -0.81 0.01 0.00 0.52 0.00 0.00 34.95 34.72 1ul4 s ARG 93 CO 0.02 0.17 1.37 0.12 0.02 0.00 0.00 175.30 176.99 1ul4 s PHE 94 N -1.61 2.45 -0.59 -0.53 5.36 -1.26 -1.44 117.98 120.35 1ul4 s PHE 94 Ca 0.01 0.64 -0.20 0.00 -0.96 0.00 0.00 56.93 56.42 1ul4 s PHE 94 Cb -0.08 -4.36 0.08 0.00 -0.34 0.00 0.00 43.02 38.33 1ul4 s PHE 94 CO 0.02 -1.86 0.77 0.00 -1.46 0.00 0.00 175.22 172.69 1ul4 h GLN 96 N 9.26 0.00 -0.84 0.00 -0.00 -1.87 0.97 115.11 122.64 1ul4 h GLN 96 Ca -0.29 0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.39 1ul4 h GLN 96 Cb 1.08 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 28.52 1ul4 h GLN 96 CO 1.10 0.13 0.54 1.96 0.00 0.00 0.00 178.83 182.56 1ul4 h GLN 97 N 0.00 1.04 -0.20 1.69 4.20 -1.90 -2.80 115.11 117.13 1ul4 h GLN 97 Ca -0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1ul4 h GLN 97 Cb 0.29 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1ul4 h GLN 97 CO 0.02 0.69 0.00 0.00 -0.67 0.00 0.00 178.83 178.87 1ul4 n SER 99 N -0.44 -2.57 -3.06 0.00 2.88 0.27 -4.87 113.62 105.83 1ul4 n SER 99 Ca 0.16 0.24 -0.18 0.00 -1.33 0.00 0.00 58.87 57.76 1ul4 n SER 99 Cb 0.66 -2.53 -0.06 0.00 -0.75 0.00 0.00 64.21 61.53 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 -1.67 0.51 -3.91 -1.46 1.85 -0.78 -4.94 116.66 106.25 1ul4 n ARG 100 Ca -0.10 -2.62 -0.21 0.00 -1.00 0.00 0.00 57.85 53.92 1ul4 n ARG 100 Cb 0.32 1.73 -0.02 0.00 -1.05 0.00 0.00 32.46 33.45 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 -2.87 3.45 0.34 2.89 0.40 -1.26 0.11 117.98 121.04 1ul4 s PHE 101 Ca 0.22 0.01 0.03 0.00 -0.60 0.00 0.00 56.93 56.60 1ul4 s PHE 101 Cb 0.01 -1.60 -0.02 0.00 0.51 0.00 0.00 43.02 41.92 1ul4 s PHE 101 CO 0.16 0.41 0.36 -1.01 0.70 0.00 0.00 175.22 175.84 1ul4 s HIS 102 N -2.01 1.47 0.53 0.36 3.76 -0.52 -4.84 115.29 114.04 1ul4 s HIS 102 Ca 0.35 -1.51 -0.19 0.00 -0.15 0.00 0.00 55.06 53.55 1ul4 s HIS 102 Cb -0.09 -0.45 -0.06 0.00 1.11 0.00 0.00 32.58 33.09 1ul4 s HIS 102 CO 0.30 -0.98 1.10 0.34 -0.85 0.00 0.00 174.74 174.65 1ul4 s ASP 103 N -3.32 5.85 0.65 1.40 2.15 -1.26 -1.47 116.67 120.67 1ul4 s ASP 103 Ca 0.37 2.10 0.40 0.00 0.43 0.00 0.00 52.55 55.84 1ul4 s ASP 103 Cb 0.01 -2.57 2.20 0.00 -0.30 0.00 0.00 42.92 42.26 1ul4 s ASP 103 CO 0.25 -1.12 2.29 0.25 -0.17 0.00 0.00 175.17 176.66 1ul4 h LEU 104 N 1.22 0.00 -4.45 -1.34 6.46 -1.59 -2.87 115.31 112.74 1ul4 h LEU 104 Ca -0.50 0.00 -0.44 0.00 -0.12 0.00 0.00 57.88 56.82 1ul4 h LEU 104 Cb 1.25 0.00 -0.15 0.00 -0.73 0.00 0.00 40.66 41.03 1ul4 h LEU 104 CO 0.57 0.00 0.30 0.00 -0.62 0.00 0.00 178.44 178.70 1ul4 n GLN 105 N -3.24 2.39 -0.90 1.25 3.00 -1.26 -3.79 117.38 114.82 1ul4 n GLN 105 Ca -0.03 -2.09 -0.03 0.00 -0.01 0.00 0.00 57.00 54.85 1ul4 n GLN 105 Cb 0.12 -2.13 -0.03 0.00 0.00 0.00 0.00 30.24 28.20 1ul4 n GLN 105 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1ul4 n GLU 106 N 1.27 0.00 -2.85 -1.09 1.02 -1.08 -4.98 120.64 112.92 1ul4 n GLU 106 Ca 0.48 -0.89 -0.12 0.00 -0.02 0.00 0.00 57.16 56.62 1ul4 n GLU 106 Cb 0.62 0.21 0.04 0.00 -0.02 0.00 0.00 31.44 32.30 1ul4 n GLU 106 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1ul4 n PHE 107 N 0.08 -2.33 0.00 -0.32 3.01 -1.25 -4.31 117.46 112.34 1ul4 n PHE 107 Ca -0.13 -2.40 0.00 0.00 1.01 0.00 0.00 57.45 55.93 1ul4 n PHE 107 Cb 0.71 1.12 0.00 0.00 -0.01 0.00 0.00 39.48 41.30 1ul4 n PHE 107 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1ul4 n ASP 108 N 0.85 0.00 -0.19 4.37 5.75 -1.19 -4.88 116.55 121.26 1ul4 n ASP 108 Ca 0.11 0.00 0.21 0.00 -0.01 0.00 0.00 54.79 55.10 1ul4 n ASP 108 Cb 0.66 0.00 0.57 0.00 -1.03 0.00 0.00 41.12 41.32 1ul4 n ASP 108 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1ul4 h GLU 109 N 0.00 0.27 0.00 0.11 4.81 -1.94 -3.43 114.58 114.39 1ul4 h GLU 109 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1ul4 h GLU 109 Cb 0.00 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1ul4 h GLU 109 CO 0.00 0.18 0.00 0.00 -0.73 0.00 0.00 179.01 178.46 1ul4 n ALA 110 N -2.57 0.00 -2.47 2.92 0.00 -1.26 -5.14 120.51 111.99 1ul4 n ALA 110 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.27 1ul4 n ALA 110 Cb 0.72 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.11 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 -2.00 3.85 -0.45 0.00 3.01 -1.26 -5.00 119.74 117.89 1ul4 s LYS 111 Ca 0.00 0.31 0.04 0.00 -1.01 0.00 0.00 55.97 55.30 1ul4 s LYS 111 Cb 0.00 -2.91 0.52 0.00 -1.01 0.00 0.00 37.83 34.43 1ul4 s LYS 111 CO 0.00 0.48 1.71 2.89 0.51 0.00 0.00 175.35 180.94 1ul4 n ARG 112 N 0.66 2.52 0.20 1.68 1.85 -1.26 -3.20 116.66 119.11 1ul4 n ARG 112 Ca -0.05 -3.36 0.00 0.00 -1.00 0.00 0.00 57.85 53.44 1ul4 n ARG 112 Cb 0.52 -2.14 0.00 0.00 -1.05 0.00 0.00 32.46 29.79 1ul4 n ARG 112 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1ul4 n SER 113 N -0.99 -2.76 -3.74 2.89 7.64 -1.26 -4.98 113.62 110.41 1ul4 n SER 113 Ca 0.51 0.75 0.02 0.00 1.01 0.00 0.00 58.87 61.15 1ul4 n SER 113 Cb 1.05 2.65 0.01 0.00 -1.01 0.00 0.00 64.21 66.91 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 -0.86 0.70 -0.09 0.00 0.63 -1.26 -4.49 116.66 111.28 1ul4 n ARG 115 Ca 0.02 -2.32 -0.15 0.00 -0.92 0.00 0.00 57.85 54.49 1ul4 n ARG 115 Cb 0.59 -0.83 -0.07 0.00 0.45 0.00 0.00 32.46 32.60 1ul4 n ARG 115 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1ul4 n ARG 116 N -0.40 0.52 -0.05 -0.14 0.00 -1.26 -4.43 116.66 110.90 1ul4 n ARG 116 Ca 0.11 0.55 -0.05 0.00 -0.00 0.00 0.00 57.85 58.46 1ul4 n ARG 116 Cb 0.85 -1.72 -0.06 0.00 0.00 0.00 0.00 32.46 31.53 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 -4.51 1.73 -0.30 -0.14 0.63 -1.26 -4.61 116.66 108.20 1ul4 n ARG 117 Ca -0.22 0.02 0.02 0.00 -0.92 0.00 0.00 57.85 56.75 1ul4 n ARG 117 Cb 0.50 -1.21 0.21 0.00 0.45 0.00 0.00 32.46 32.42 1ul4 n ARG 117 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1ul4 h LEU 118 N 0.00 0.95 -1.90 6.15 5.85 -1.86 -1.17 115.31 123.34 1ul4 h LEU 118 Ca -0.23 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 1ul4 h LEU 118 Cb 1.45 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1ul4 h LEU 118 CO -0.01 0.65 0.02 0.00 -0.34 0.00 0.00 178.44 178.77 1ul4 h ALA 119 N 1.48 1.92 0.00 1.25 0.00 -1.79 -3.48 119.26 118.65 1ul4 h ALA 119 Ca 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1ul4 h ALA 119 Cb 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ul4 h ALA 119 CO -0.11 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.62 1ul4 n GLY 120 N -1.48 0.99 3.12 0.00 0.00 -0.44 -4.90 105.19 102.48 1ul4 n GLY 120 Ca -0.02 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 1ul4 n GLY 120 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1ul4 s HIS 121 N 0.00 2.48 -0.83 1.61 -3.43 -1.26 -4.86 115.29 109.01 1ul4 s HIS 121 Ca 0.00 -1.31 0.01 0.00 -0.80 0.00 0.00 55.06 52.95 1ul4 s HIS 121 Cb 0.00 -1.73 0.34 0.00 -1.43 0.00 0.00 32.58 29.76 1ul4 s HIS 121 CO 0.00 -0.64 1.62 0.09 -2.00 0.00 0.00 174.74 173.81 1ul4 n ASN 122 N 4.31 6.52 -3.63 7.38 3.02 -1.26 -4.93 115.26 126.67 1ul4 n ASN 122 Ca -0.20 -3.73 -0.05 0.00 -0.03 0.00 0.00 54.58 50.57 1ul4 n ASN 122 Cb 0.51 -0.94 -0.06 0.00 -0.61 0.00 0.00 39.78 38.67 1ul4 n ASN 122 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1ul4 s GLU 123 N -4.01 0.61 -0.17 3.52 -1.05 -1.26 -5.15 118.70 111.18 1ul4 s GLU 123 Ca 0.45 1.11 -0.03 0.00 -0.15 0.00 0.00 54.97 56.35 1ul4 s GLU 123 Cb 0.29 0.22 -0.02 0.00 -0.44 0.00 0.00 34.13 34.18 1ul4 s GLU 123 CO -0.21 -0.14 -0.06 1.03 0.95 0.00 0.00 175.26 176.84 1ul4 s ARG 124 N 1.74 3.52 0.00 -4.83 1.81 -1.26 -5.11 118.95 114.82 1ul4 s ARG 124 Ca -0.09 -0.59 0.00 0.00 -1.72 0.00 0.00 55.73 53.33 1ul4 s ARG 124 Cb -0.05 -2.90 0.00 0.00 -0.45 0.00 0.00 34.95 31.55 1ul4 s ARG 124 CO -0.19 0.09 0.00 0.54 -0.68 0.00 0.00 175.30 175.07 1ul4 n ARG 125 N 3.95 0.91 -1.39 3.54 1.74 -1.26 -5.02 116.66 119.13 1ul4 n ARG 125 Ca -0.18 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 56.95 1ul4 n ARG 125 Cb 0.52 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.93 1ul4 n ARG 125 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1ul4 n ARG 126 N -0.90 -3.54 0.17 5.56 3.00 -1.26 -4.74 116.66 114.95 1ul4 n ARG 126 Ca 0.00 2.79 -0.08 0.00 -0.00 0.00 0.00 57.85 60.56 1ul4 n ARG 126 Cb 0.00 -3.61 -0.04 0.00 0.00 0.00 0.00 32.46 28.81 1ul4 n ARG 126 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1ul4 h LYS 127 N -0.28 -0.47 -2.68 -0.14 1.79 -2.08 -3.45 116.57 109.27 1ul4 h LYS 127 Ca -0.06 0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 58.32 1ul4 h LYS 127 Cb 0.99 0.11 -0.28 0.00 -1.58 0.00 0.00 32.23 31.47 1ul4 h LYS 127 CO 0.02 -0.31 -0.36 -1.12 -1.08 0.00 0.00 179.45 176.60 1ul4 s SER 128 N -2.95 -0.33 -0.14 0.86 0.01 -1.26 -5.15 113.70 104.74 1ul4 s SER 128 Ca -0.08 0.84 -0.02 0.00 1.31 0.00 0.00 55.95 58.01 1ul4 s SER 128 Cb 0.01 0.87 -0.02 0.00 0.21 0.00 0.00 66.02 67.09 1ul4 s SER 128 CO 0.24 -0.20 -0.09 -0.94 0.41 0.00 0.00 173.24 172.66 1ul4 s SER 129 N 1.80 4.37 0.00 2.44 1.04 -1.26 -4.77 113.70 117.32 1ul4 s SER 129 Ca -0.06 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1ul4 s SER 129 Cb -0.10 -1.69 0.00 0.00 0.10 0.00 0.00 66.02 64.33 1ul4 s SER 129 CO -0.12 0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.88 1ul4 n GLY 130 N 3.52 2.22 0.00 7.32 0.00 -1.26 -5.24 105.19 111.75 1ul4 n GLY 130 Ca -0.18 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1ul4 n GLY 130 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11