#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 2.95 -0.03 3.23 3.00 -1.26 -4.30 118.95 122.54 1ul4 s ARG 52 Ca 0.00 -0.43 0.01 0.00 0.00 0.00 0.00 55.73 55.30 1ul4 s ARG 52 Cb 0.00 -4.99 -0.02 0.00 0.00 0.00 0.00 34.95 29.93 1ul4 s ARG 52 CO 0.00 -2.81 -0.02 1.28 0.00 0.00 0.00 175.30 173.75 1ul4 n LEU 53 N 11.79 2.16 -4.70 2.53 4.77 -1.26 -5.04 117.00 127.25 1ul4 n LEU 53 Ca 0.32 -0.01 -0.41 0.00 -0.03 0.00 0.00 56.01 55.88 1ul4 n LEU 53 Cb 0.49 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.53 1ul4 n LEU 53 CO 0.64 0.42 0.89 0.00 -1.33 0.00 0.00 177.39 178.01 1ul4 h GLN 55 N 2.11 0.28 -6.99 0.00 3.07 0.17 -3.46 115.11 110.29 1ul4 h GLN 55 Ca -0.48 -0.37 -0.54 0.00 0.09 0.00 0.00 58.65 57.35 1ul4 h GLN 55 Cb 1.29 0.12 0.12 0.00 0.08 0.00 0.00 27.48 29.10 1ul4 h GLN 55 CO 0.60 1.11 0.72 0.08 0.09 0.00 0.00 178.83 181.42 1ul4 s VAL 56 N -2.99 2.02 0.46 1.86 1.01 -1.26 -5.00 120.40 116.50 1ul4 s VAL 56 Ca -0.04 0.01 -0.06 0.00 0.00 0.00 0.00 61.98 61.89 1ul4 s VAL 56 Cb 0.08 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 1ul4 s VAL 56 CO 0.86 0.00 0.78 -1.81 0.00 0.00 0.00 175.10 174.93 1ul4 s ASP 57 N -0.46 6.32 -1.62 3.32 1.11 -1.26 -4.04 116.67 120.05 1ul4 s ASP 57 Ca 0.61 0.97 0.00 0.00 0.18 0.00 0.00 52.55 54.31 1ul4 s ASP 57 Cb -0.44 -2.26 0.00 0.00 1.07 0.00 0.00 42.92 41.28 1ul4 s ASP 57 CO 0.57 -0.53 0.00 0.54 1.18 0.00 0.00 175.17 176.93 1ul4 n ARG 58 N -2.02 -1.15 -3.04 8.23 3.00 -1.26 -4.95 116.66 115.47 1ul4 n ARG 58 Ca 0.01 1.00 -0.43 0.00 -0.01 0.00 0.00 57.85 58.42 1ul4 n ARG 58 Cb 0.55 -5.22 -0.06 0.00 0.00 0.00 0.00 32.46 27.73 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 5.92 3.08 -3.24 0.00 5.66 -1.26 -4.97 114.28 119.47 1ul4 n THR 60 Ca 0.00 -2.25 -0.39 0.00 -3.05 0.00 0.00 64.05 58.37 1ul4 n THR 60 Cb 0.48 -0.51 -0.06 0.00 -1.55 0.00 0.00 70.33 68.70 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 -3.34 3.47 -0.39 1.79 0.00 -1.26 -5.02 121.76 117.01 1ul4 s ALA 61 Ca 0.55 -0.05 -0.28 0.00 0.00 0.00 0.00 51.96 52.17 1ul4 s ALA 61 Cb 0.46 -2.72 -0.00 0.00 0.00 0.00 0.00 23.12 20.86 1ul4 s ALA 61 CO 0.07 0.07 1.60 0.34 0.00 0.00 0.00 175.76 177.85 1ul4 s ASP 62 N 0.25 6.09 -0.45 0.00 2.15 -1.26 -4.78 116.67 118.67 1ul4 s ASP 62 Ca 0.30 1.01 0.04 0.00 0.43 0.00 0.00 52.55 54.32 1ul4 s ASP 62 Cb -0.17 -2.53 0.62 0.00 -0.30 0.00 0.00 42.92 40.54 1ul4 s ASP 62 CO 0.14 -1.60 1.87 0.23 -0.17 0.00 0.00 175.17 175.64 1ul4 n MET 63 N 8.30 2.26 0.03 4.34 2.81 -1.26 -4.40 117.12 129.20 1ul4 n MET 63 Ca 0.19 -3.08 -0.10 0.00 -1.81 0.00 0.00 57.70 52.90 1ul4 n MET 63 Cb 0.48 -2.15 -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 1.13 0.06 -1.57 0.03 3.64 -1.89 -3.37 116.57 114.60 1ul4 h LYS 64 Ca 0.58 -0.09 -0.61 0.00 -1.27 0.00 0.00 60.65 59.26 1ul4 h LYS 64 Cb 2.46 0.04 -0.41 0.00 -0.41 0.00 0.00 32.23 33.91 1ul4 h LYS 64 CO 1.07 0.83 -0.57 0.39 -2.27 0.00 0.00 179.45 178.90 1ul4 n GLU 65 N -3.26 3.37 -3.96 1.90 1.02 -1.26 -5.05 120.64 113.41 1ul4 n GLU 65 Ca -0.10 -4.43 -0.30 0.00 -0.02 0.00 0.00 57.16 52.31 1ul4 n GLU 65 Cb 1.01 -2.25 -0.04 0.00 -0.02 0.00 0.00 31.44 30.13 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 -3.59 3.89 1.05 0.62 0.00 -1.26 -5.10 121.76 117.37 1ul4 s ALA 66 Ca 0.48 -0.93 -0.13 0.00 0.00 0.00 0.00 51.96 51.39 1ul4 s ALA 66 Cb 0.40 -1.72 0.22 0.00 0.00 0.00 0.00 23.12 22.02 1ul4 s ALA 66 CO -0.21 0.75 1.08 0.21 0.00 0.00 0.00 175.76 177.59 1ul4 s LYS 67 N -2.64 0.02 0.28 0.00 2.20 -1.26 -4.92 119.74 113.43 1ul4 s LYS 67 Ca 0.34 0.57 0.25 0.00 -0.36 0.00 0.00 55.97 56.77 1ul4 s LYS 67 Cb -0.12 -1.68 0.96 0.00 -1.51 0.00 0.00 37.83 35.47 1ul4 s LYS 67 CO 0.27 -3.02 1.75 1.25 -0.36 0.00 0.00 175.35 175.24 1ul4 h LEU 68 N -2.10 0.00 -0.01 5.43 5.85 -2.01 -2.93 115.31 119.54 1ul4 h LEU 68 Ca -0.57 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 57.94 1ul4 h LEU 68 Cb 1.33 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.34 1ul4 h LEU 68 CO 0.56 0.00 -1.00 0.22 -0.34 0.00 0.00 178.44 177.88 1ul4 h TYR 69 N 0.00 0.03 -0.94 1.25 5.03 -2.00 -3.26 116.97 117.07 1ul4 h TYR 69 Ca 0.00 -0.02 -0.53 0.00 2.58 0.00 0.00 58.73 60.77 1ul4 h TYR 69 Cb 0.49 -0.00 -0.29 0.00 1.55 0.00 0.00 36.73 38.48 1ul4 h TYR 69 CO 0.00 1.01 0.62 0.72 -1.32 0.00 0.00 178.16 179.18 1ul4 n HIS 70 N -3.37 2.93 0.01 -3.82 8.25 -1.11 -4.35 115.22 113.77 1ul4 n HIS 70 Ca -0.00 -2.09 -0.00 0.00 -0.26 0.00 0.00 57.72 55.36 1ul4 n HIS 70 Cb 0.94 -1.01 -0.00 0.00 1.12 0.00 0.00 29.99 31.04 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 -1.09 0.02 0.14 -0.41 1.74 -1.23 -4.32 116.66 111.51 1ul4 n ARG 71 Ca 0.58 0.01 0.18 0.00 -0.77 0.00 0.00 57.85 57.85 1ul4 n ARG 71 Cb 1.39 -0.25 0.77 0.00 -1.02 0.00 0.00 32.46 33.36 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 -0.04 0.00 0.00 5.56 0.11 -1.80 0.36 114.38 118.57 1ul4 h ARG 72 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1ul4 h ARG 72 Cb 0.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.12 1ul4 h ARG 72 CO 0.00 0.00 0.00 0.45 0.10 0.00 0.00 179.97 180.52 1ul4 h HIS 73 N 0.00 0.00 -2.85 4.08 3.86 -1.85 -3.47 115.15 114.92 1ul4 h HIS 73 Ca 0.15 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 59.00 1ul4 h HIS 73 Cb 0.76 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.23 1ul4 h HIS 73 CO 0.00 0.00 -0.47 1.63 0.86 0.00 0.00 177.93 179.95 1ul4 n LYS 74 N -2.86 -2.07 -3.79 2.45 4.76 0.13 -4.89 118.16 111.88 1ul4 n LYS 74 Ca 0.03 0.84 -0.13 0.00 -2.87 0.00 0.00 58.31 56.19 1ul4 n LYS 74 Cb 0.43 -5.36 -0.13 0.00 -1.84 0.00 0.00 35.03 28.13 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 -2.94 -0.01 0.69 -0.18 0.11 -1.26 0.90 120.40 117.71 1ul4 s VAL 75 Ca 0.06 0.04 -0.04 0.00 -2.93 0.00 0.00 61.98 59.12 1ul4 s VAL 75 Cb -0.03 -0.26 0.09 0.00 -1.53 0.00 0.00 36.38 34.65 1ul4 s VAL 75 CO 0.07 0.02 0.98 0.00 -3.33 0.00 0.00 175.10 172.84 1ul4 h GLU 77 N -0.51 0.00 0.00 0.00 4.81 -1.96 0.83 114.58 117.75 1ul4 h GLU 77 Ca -0.41 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.77 1ul4 h GLU 77 Cb 1.29 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 1ul4 h GLU 77 CO 0.50 0.34 -0.24 0.28 -0.73 0.00 0.00 179.01 179.16 1ul4 h VAL 78 N 0.00 1.04 0.00 0.32 2.07 -1.98 -1.86 116.25 115.84 1ul4 h VAL 78 Ca -0.00 -0.87 -0.25 0.00 0.82 0.00 0.00 66.70 66.40 1ul4 h VAL 78 Cb 0.61 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.82 1ul4 h VAL 78 CO 0.04 0.24 -1.93 1.41 0.02 0.00 0.00 177.57 177.35 1ul4 n HIS 79 N -4.06 0.00 -0.16 1.57 8.25 -0.99 -3.66 115.22 116.17 1ul4 n HIS 79 Ca -0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.36 1ul4 n HIS 79 Cb 0.31 -0.67 0.07 0.00 1.12 0.00 0.00 29.99 30.82 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 0.62 0.90 0.00 -1.41 0.00 0.69 -3.02 119.26 117.04 1ul4 h ALA 80 Ca -0.37 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 1ul4 h ALA 80 Cb 1.82 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 1ul4 h ALA 80 CO 0.01 0.64 -1.06 1.63 0.00 0.00 0.00 179.25 180.47 1ul4 n LYS 81 N -4.17 0.61 -1.64 0.00 4.01 -0.70 -4.76 118.16 111.51 1ul4 n LYS 81 Ca 0.02 0.14 -0.48 0.00 -0.51 0.00 0.00 58.31 57.49 1ul4 n LYS 81 Cb 0.36 -1.83 -0.04 0.00 -0.51 0.00 0.00 35.03 33.01 1ul4 n LYS 81 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ul4 n ALA 82 N -2.21 0.53 0.18 7.82 0.00 -1.14 -4.87 120.51 120.82 1ul4 n ALA 82 Ca -0.01 0.46 0.02 0.00 0.00 0.00 0.00 53.44 53.91 1ul4 n ALA 82 Cb 0.59 -2.24 0.36 0.00 0.00 0.00 0.00 19.45 18.17 1ul4 n ALA 82 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ul4 h SER 83 N 5.04 0.02 -3.88 0.00 0.02 -1.91 -3.43 113.55 109.41 1ul4 h SER 83 Ca -0.45 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.43 1ul4 h SER 83 Cb 1.29 -0.01 -0.22 0.00 0.14 0.00 0.00 62.40 63.60 1ul4 h SER 83 CO 0.82 0.37 0.03 -0.94 -1.14 0.00 0.00 176.83 175.97 1ul4 s SER 84 N -6.94 -0.69 0.18 3.07 1.04 -1.26 -4.73 113.70 104.38 1ul4 s SER 84 Ca -0.03 1.31 0.08 0.00 0.48 0.00 0.00 55.95 57.79 1ul4 s SER 84 Cb 0.14 1.31 -0.04 0.00 0.10 0.00 0.00 66.02 67.53 1ul4 s SER 84 CO 0.73 -0.22 -0.16 -0.69 0.98 0.00 0.00 173.24 173.87 1ul4 s VAL 85 N 0.46 1.78 -1.10 5.02 1.01 -0.11 -4.92 120.40 122.54 1ul4 s VAL 85 Ca -0.01 -2.05 -0.10 0.00 0.00 0.00 0.00 61.98 59.82 1ul4 s VAL 85 Cb -0.05 -1.93 0.26 0.00 0.00 0.00 0.00 36.38 34.67 1ul4 s VAL 85 CO -0.01 -0.45 1.12 0.12 0.00 0.00 0.00 175.10 175.88 1ul4 s PHE 86 N -2.47 4.16 -0.42 5.22 5.36 -1.25 -1.38 117.98 127.20 1ul4 s PHE 86 Ca 0.19 -2.58 -0.22 0.00 -0.96 0.00 0.00 56.93 53.36 1ul4 s PHE 86 Cb -0.03 -3.89 0.02 0.00 -0.34 0.00 0.00 43.02 38.78 1ul4 s PHE 86 CO 0.07 -1.00 0.73 -1.17 -1.46 0.00 0.00 175.22 172.39 1ul4 s LEU 87 N -0.86 4.28 -1.70 6.12 2.96 -0.15 -4.03 118.68 125.30 1ul4 s LEU 87 Ca 0.31 -0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 54.18 1ul4 s LEU 87 Cb -0.09 -2.89 0.00 0.00 0.50 0.00 0.00 46.19 43.71 1ul4 s LEU 87 CO -0.07 -0.80 0.12 -0.24 -1.32 0.00 0.00 176.35 174.04 1ul4 n SER 88 N 6.45 -5.85 -1.31 3.68 2.88 -1.26 -2.45 113.62 115.77 1ul4 n SER 88 Ca 0.01 -0.06 -0.04 0.00 -1.33 0.00 0.00 58.87 57.45 1ul4 n SER 88 Cb 0.48 -4.84 0.02 0.00 -0.75 0.00 0.00 64.21 59.12 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 -1.10 0.43 3.46 0.46 0.00 -1.26 -5.07 105.19 102.11 1ul4 n GLY 89 Ca -0.22 -0.42 -0.17 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.58 -0.34 -0.23 0.99 0.20 -1.02 -5.11 118.68 110.58 1ul4 s LEU 90 Ca 0.04 0.54 -0.28 0.00 0.69 0.00 0.00 54.13 55.12 1ul4 s LEU 90 Cb -0.02 2.29 0.01 0.00 -0.43 0.00 0.00 46.19 48.03 1ul4 s LEU 90 CO 0.13 -0.60 0.98 0.20 -0.29 0.00 0.00 176.35 176.78 1ul4 s ASN 91 N -1.33 7.03 0.14 3.68 0.01 -1.25 -0.98 114.94 122.24 1ul4 s ASN 91 Ca -0.11 1.30 0.01 0.00 -0.71 0.00 0.00 52.86 53.35 1ul4 s ASN 91 Cb -0.01 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 39.09 1ul4 s ASN 91 CO 0.07 -0.62 -0.01 -1.10 -1.51 0.00 0.00 177.10 173.93 1ul4 s GLN 92 N 3.08 0.96 0.19 -0.60 -0.21 -0.48 -2.08 119.66 120.52 1ul4 s GLN 92 Ca 0.42 -1.44 0.02 0.00 0.02 0.00 0.00 55.36 54.37 1ul4 s GLN 92 Cb -0.15 -0.12 -0.05 0.00 1.00 0.00 0.00 33.01 33.69 1ul4 s GLN 92 CO 0.07 -0.12 0.03 0.50 -2.12 0.00 0.00 175.29 173.64 1ul4 s ARG 93 N -3.92 1.17 -0.33 2.91 3.52 -0.83 -0.93 118.95 120.54 1ul4 s ARG 93 Ca 0.19 -1.58 -0.21 0.00 -0.13 0.00 0.00 55.73 54.01 1ul4 s ARG 93 Cb 0.06 -0.24 -0.00 0.00 -1.56 0.00 0.00 34.95 33.21 1ul4 s ARG 93 CO 0.00 -0.17 0.65 0.12 -0.81 0.00 0.00 175.30 175.09 1ul4 s PHE 94 N -3.70 3.18 -0.56 5.12 5.36 -1.26 -1.39 117.98 124.73 1ul4 s PHE 94 Ca 0.27 0.51 -0.20 0.00 -0.96 0.00 0.00 56.93 56.56 1ul4 s PHE 94 Cb 0.06 -3.08 0.08 0.00 -0.34 0.00 0.00 43.02 39.74 1ul4 s PHE 94 CO 0.06 -0.55 0.71 0.00 -1.46 0.00 0.00 175.22 173.98 1ul4 h GLN 96 N 9.15 0.00 -0.87 0.00 4.20 -1.92 0.28 115.11 125.96 1ul4 h GLN 96 Ca -0.28 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.46 1ul4 h GLN 96 Cb 1.09 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.82 1ul4 h GLN 96 CO 1.05 0.18 0.56 0.37 -0.67 0.00 0.00 178.83 180.32 1ul4 h GLN 97 N 0.00 1.06 -0.23 1.46 -0.00 -1.91 -2.82 115.11 112.67 1ul4 h GLN 97 Ca -0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.58 1ul4 h GLN 97 Cb 0.36 -0.24 0.00 0.00 0.00 0.00 0.00 27.48 27.60 1ul4 h GLN 97 CO 0.02 0.70 0.00 0.00 0.00 0.00 0.00 178.83 179.56 1ul4 n SER 99 N -0.07 -3.43 -3.89 0.00 2.88 0.92 -4.88 113.62 105.15 1ul4 n SER 99 Ca 0.12 0.23 -0.25 0.00 -1.33 0.00 0.00 58.87 57.63 1ul4 n SER 99 Cb 0.50 -2.92 -0.07 0.00 -0.75 0.00 0.00 64.21 60.97 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 -1.16 0.58 -3.29 -1.46 1.85 -0.80 -4.92 116.66 107.45 1ul4 n ARG 100 Ca -0.09 -3.48 -0.26 0.00 -1.00 0.00 0.00 57.85 53.03 1ul4 n ARG 100 Cb 0.39 1.89 -0.02 0.00 -1.05 0.00 0.00 32.46 33.67 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 -3.10 3.50 -0.02 2.89 0.40 -1.26 0.12 117.98 120.51 1ul4 s PHE 101 Ca 0.21 0.48 -0.06 0.00 -0.60 0.00 0.00 56.93 56.95 1ul4 s PHE 101 Cb 0.01 -1.99 0.01 0.00 0.51 0.00 0.00 43.02 41.55 1ul4 s PHE 101 CO 0.15 0.10 0.14 -1.01 0.70 0.00 0.00 175.22 175.29 1ul4 s HIS 102 N -2.29 -0.03 0.83 0.36 3.76 -0.49 -4.81 115.29 112.61 1ul4 s HIS 102 Ca 0.42 0.07 -0.13 0.00 -0.15 0.00 0.00 55.06 55.27 1ul4 s HIS 102 Cb -0.10 -0.01 0.08 0.00 1.11 0.00 0.00 32.58 33.66 1ul4 s HIS 102 CO 0.35 -0.20 1.10 -3.47 -0.85 0.00 0.00 174.74 171.68 1ul4 n ASP 103 N 2.07 0.59 0.23 1.40 2.03 -1.26 -1.96 116.55 119.65 1ul4 n ASP 103 Ca -0.19 0.54 0.10 0.00 0.52 0.00 0.00 54.79 55.77 1ul4 n ASP 103 Cb 0.57 -1.47 0.56 0.00 -0.72 0.00 0.00 41.12 40.06 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 -1.08 0.00 0.00 -2.67 5.85 -1.73 -2.17 115.31 113.51 1ul4 h LEU 104 Ca -0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1ul4 h LEU 104 Cb 1.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1ul4 h LEU 104 CO 0.44 0.21 0.00 0.00 -0.34 0.00 0.00 178.44 178.75 1ul4 n GLN 105 N -3.61 0.22 0.09 1.25 3.00 -1.26 -2.95 117.38 114.12 1ul4 n GLN 105 Ca -0.01 0.09 -0.14 0.00 -0.01 0.00 0.00 57.00 56.93 1ul4 n GLN 105 Cb 0.34 -1.50 -0.13 0.00 0.00 0.00 0.00 30.24 28.95 1ul4 n GLN 105 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1ul4 h GLU 106 N 0.00 0.22 -3.55 -1.09 4.39 -1.74 -3.47 114.58 109.33 1ul4 h GLU 106 Ca 0.00 -0.36 -0.06 0.00 0.34 0.00 0.00 59.36 59.27 1ul4 h GLU 106 Cb 0.25 0.14 -0.13 0.00 -0.10 0.00 0.00 28.75 28.91 1ul4 h GLU 106 CO 0.00 1.17 -0.17 -0.59 -1.16 0.00 0.00 179.01 178.26 1ul4 s PHE 107 N -2.68 -0.03 0.00 4.33 -0.12 -1.15 -4.75 117.98 113.57 1ul4 s PHE 107 Ca -0.03 -0.33 0.00 0.00 -0.05 0.00 0.00 56.93 56.52 1ul4 s PHE 107 Cb 0.08 0.15 0.00 0.00 -0.63 0.00 0.00 43.02 42.62 1ul4 s PHE 107 CO 0.87 -0.68 0.00 -3.47 -0.05 0.00 0.00 175.22 171.89 1ul4 n ASP 108 N -0.19 0.00 -3.34 1.98 2.03 -1.26 -4.79 116.55 110.97 1ul4 n ASP 108 Ca -0.14 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.01 1ul4 n ASP 108 Cb 0.63 0.00 0.15 0.00 -0.72 0.00 0.00 41.12 41.18 1ul4 n ASP 108 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ul4 n GLU 109 N -1.14 -1.99 -0.08 -0.67 1.02 -1.26 -4.76 120.64 111.76 1ul4 n GLU 109 Ca 0.00 -0.75 0.24 0.00 -0.02 0.00 0.00 57.16 56.63 1ul4 n GLU 109 Cb 0.00 -1.29 0.71 0.00 -0.02 0.00 0.00 31.44 30.84 1ul4 n GLU 109 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ul4 h ALA 110 N -2.79 2.65 -1.86 0.62 0.00 -2.03 -3.39 119.26 112.47 1ul4 h ALA 110 Ca -0.20 -0.02 -0.56 0.00 0.00 0.00 0.00 54.91 54.12 1ul4 h ALA 110 Cb 0.68 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1ul4 h ALA 110 CO 0.12 -0.88 1.40 0.15 0.00 0.00 0.00 179.25 180.04 1ul4 s LYS 111 N -4.96 3.07 -0.54 0.00 1.02 -1.26 -4.86 119.74 112.21 1ul4 s LYS 111 Ca -0.05 1.59 -0.03 0.00 0.02 0.00 0.00 55.97 57.50 1ul4 s LYS 111 Cb 0.20 -4.32 0.16 0.00 -0.52 0.00 0.00 37.83 33.35 1ul4 s LYS 111 CO 0.74 -2.17 2.49 0.54 -0.92 0.00 0.00 175.35 176.03 1ul4 n ARG 112 N 8.67 2.43 -1.17 1.68 1.74 -1.26 -4.57 116.66 124.18 1ul4 n ARG 112 Ca 0.27 -2.57 0.00 0.00 -0.77 0.00 0.00 57.85 54.78 1ul4 n ARG 112 Cb 0.47 -2.12 0.00 0.00 -1.02 0.00 0.00 32.46 29.79 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 0.41 0.00 -4.75 0.55 7.64 -1.26 -4.92 113.62 111.29 1ul4 n SER 113 Ca 0.49 -0.87 -0.40 0.00 1.01 0.00 0.00 58.87 59.10 1ul4 n SER 113 Cb 0.49 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.63 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 1.54 3.86 -0.03 0.00 0.63 -1.26 -3.56 116.66 117.83 1ul4 n ARG 115 Ca -0.02 -2.65 -0.02 0.00 -0.92 0.00 0.00 57.85 54.25 1ul4 n ARG 115 Cb 0.47 -2.12 -0.01 0.00 0.45 0.00 0.00 32.46 31.25 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 0.24 0.17 -0.10 -0.14 3.00 -1.26 -4.41 116.66 114.15 1ul4 n ARG 116 Ca 0.29 0.35 -0.11 0.00 -0.00 0.00 0.00 57.85 58.38 1ul4 n ARG 116 Cb 1.15 -1.09 -0.15 0.00 0.00 0.00 0.00 32.46 32.36 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 -3.12 0.75 -0.28 -0.14 0.63 -1.26 -4.16 116.66 109.09 1ul4 n ARG 117 Ca -0.03 0.02 -0.04 0.00 -0.92 0.00 0.00 57.85 56.88 1ul4 n ARG 117 Cb 0.10 -1.51 0.07 0.00 0.45 0.00 0.00 32.46 31.57 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 0.86 0.00 6.15 7.12 -1.86 -3.26 115.31 124.33 1ul4 h LEU 118 Ca -0.54 -0.02 0.00 0.00 0.13 0.00 0.00 57.88 57.45 1ul4 h LEU 118 Cb 2.16 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 42.08 1ul4 h LEU 118 CO 0.01 0.62 0.00 0.00 -0.13 0.00 0.00 178.44 178.94 1ul4 n ALA 119 N -2.31 -0.24 -2.80 1.25 0.00 -1.26 -4.33 120.51 110.82 1ul4 n ALA 119 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.09 1ul4 n ALA 119 Cb 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 1ul4 n ALA 119 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ul4 s GLY 120 N -0.98 1.80 -0.17 0.00 0.00 -1.24 -4.70 107.32 102.02 1ul4 s GLY 120 Ca 0.00 -2.74 0.19 0.00 0.00 0.00 0.00 44.72 42.17 1ul4 s GLY 120 CO 0.00 2.26 0.14 1.57 0.00 0.00 0.00 173.10 177.07 1ul4 n HIS 121 N 7.20 0.01 -1.42 1.90 -0.00 -1.23 -4.77 115.22 116.91 1ul4 n HIS 121 Ca 0.31 0.00 0.18 0.00 -0.00 0.00 0.00 57.72 58.21 1ul4 n HIS 121 Cb 0.48 -0.93 -0.08 0.00 -0.00 0.00 0.00 29.99 29.47 1ul4 n HIS 121 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1ul4 n ASN 122 N -2.68 -8.16 -3.87 0.26 3.02 -1.26 -5.00 115.26 97.57 1ul4 n ASN 122 Ca -0.28 1.21 -0.11 0.00 -0.03 0.00 0.00 54.58 55.36 1ul4 n ASN 122 Cb 1.07 -4.73 -0.11 0.00 -0.61 0.00 0.00 39.78 35.40 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 -3.71 0.35 -0.72 3.52 2.02 -1.26 -5.11 118.70 113.79 1ul4 s GLU 123 Ca 0.00 -0.22 -0.15 0.00 0.02 0.00 0.00 54.97 54.62 1ul4 s GLU 123 Cb 0.00 0.15 0.18 0.00 0.10 0.00 0.00 34.13 34.56 1ul4 s GLU 123 CO 0.00 -0.07 0.68 0.50 0.02 0.00 0.00 175.26 176.38 1ul4 s ARG 124 N -0.90 3.38 0.34 1.61 3.52 -1.26 -4.98 118.95 120.66 1ul4 s ARG 124 Ca -0.10 -2.16 0.00 0.00 -0.13 0.00 0.00 55.73 53.34 1ul4 s ARG 124 Cb -0.06 -4.39 0.00 0.00 -1.56 0.00 0.00 34.95 28.94 1ul4 s ARG 124 CO 0.01 -1.32 0.00 0.54 -0.81 0.00 0.00 175.30 173.72 1ul4 n ARG 125 N 4.52 -2.86 -4.34 5.12 5.12 -1.26 -4.93 116.66 118.03 1ul4 n ARG 125 Ca 0.04 1.92 -0.19 0.00 -1.93 0.00 0.00 57.85 57.69 1ul4 n ARG 125 Cb 0.44 -3.49 -0.14 0.00 -1.16 0.00 0.00 32.46 28.12 1ul4 n ARG 125 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1ul4 s ARG 126 N -2.30 0.80 -0.21 5.56 1.04 -1.26 -5.11 118.95 117.46 1ul4 s ARG 126 Ca 0.00 -0.54 -0.29 0.00 -1.04 0.00 0.00 55.73 53.86 1ul4 s ARG 126 Cb 0.00 -0.76 -0.02 0.00 -2.04 0.00 0.00 34.95 32.13 1ul4 s ARG 126 CO 0.00 0.19 1.40 0.21 -0.04 0.00 0.00 175.30 177.07 1ul4 s LYS 127 N -0.72 4.02 -0.24 3.89 2.36 -1.26 -4.81 119.74 122.98 1ul4 s LYS 127 Ca 0.01 1.59 0.11 0.00 -2.55 0.00 0.00 55.97 55.13 1ul4 s LYS 127 Cb -0.06 -3.89 0.31 0.00 -1.05 0.00 0.00 37.83 33.14 1ul4 s LYS 127 CO 0.00 -1.00 1.37 0.45 1.55 0.00 0.00 175.35 177.73 1ul4 n SER 128 N 7.43 -1.10 -1.40 1.43 2.88 -1.26 -5.15 113.62 116.46 1ul4 n SER 128 Ca 0.16 -2.15 0.19 0.00 -1.33 0.00 0.00 58.87 55.74 1ul4 n SER 128 Cb 0.45 0.49 -0.05 0.00 -0.75 0.00 0.00 64.21 64.36 1ul4 n SER 128 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ul4 n SER 129 N -1.05 -8.28 0.00 -3.46 2.88 -1.26 -5.04 113.62 97.41 1ul4 n SER 129 Ca -0.18 1.48 0.00 0.00 -1.33 0.00 0.00 58.87 58.83 1ul4 n SER 129 Cb 0.84 -4.15 0.00 0.00 -0.75 0.00 0.00 64.21 60.14 1ul4 n SER 129 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ul4 n GLY 130 N -4.06 1.93 0.68 0.46 0.00 -1.26 -5.16 105.19 97.78 1ul4 n GLY 130 Ca 0.01 -0.20 0.09 0.00 0.00 0.00 0.00 46.02 45.91 1ul4 n GLY 130 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50