#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 3.13 -0.08 3.23 0.52 -1.26 -4.09 118.95 120.39 1ul4 s ARG 52 Ca 0.00 -3.15 0.16 0.00 -0.52 0.00 0.00 55.73 52.22 1ul4 s ARG 52 Cb 0.00 -3.90 -0.23 0.00 0.52 0.00 0.00 34.95 31.34 1ul4 s ARG 52 CO 0.00 -1.25 0.45 1.28 0.02 0.00 0.00 175.30 175.80 1ul4 n LEU 53 N 2.52 0.46 -4.73 2.53 4.77 -1.26 -4.95 117.00 116.34 1ul4 n LEU 53 Ca 0.19 0.21 -0.42 0.00 -0.03 0.00 0.00 56.01 55.96 1ul4 n LEU 53 Cb 0.37 0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 41.72 1ul4 n LEU 53 CO 0.35 0.35 1.03 0.00 -1.33 0.00 0.00 177.39 177.79 1ul4 h GLN 55 N 2.97 0.10 -7.04 0.00 3.07 0.35 -3.46 115.11 111.10 1ul4 h GLN 55 Ca -0.48 -0.12 -0.55 0.00 0.09 0.00 0.00 58.65 57.59 1ul4 h GLN 55 Cb 1.26 0.04 0.13 0.00 0.08 0.00 0.00 27.48 28.99 1ul4 h GLN 55 CO 0.65 0.92 0.62 0.08 0.09 0.00 0.00 178.83 181.19 1ul4 s VAL 56 N -3.08 2.09 0.44 1.86 1.01 -1.26 -5.01 120.40 116.44 1ul4 s VAL 56 Ca -0.01 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 1ul4 s VAL 56 Cb 0.10 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 1ul4 s VAL 56 CO 0.82 0.00 0.70 -1.81 0.00 0.00 0.00 175.10 174.81 1ul4 s ASP 57 N -0.90 6.24 -1.77 3.32 1.11 -1.26 -4.11 116.67 119.30 1ul4 s ASP 57 Ca 0.70 0.73 0.00 0.00 0.18 0.00 0.00 52.55 54.16 1ul4 s ASP 57 Cb -0.41 -2.13 0.00 0.00 1.07 0.00 0.00 42.92 41.45 1ul4 s ASP 57 CO 0.49 -0.50 0.00 0.54 1.18 0.00 0.00 175.17 176.88 1ul4 n ARG 58 N -2.09 -1.17 -3.17 8.23 5.12 -1.26 -4.96 116.66 117.35 1ul4 n ARG 58 Ca -0.01 1.08 -0.40 0.00 -1.93 0.00 0.00 57.85 56.59 1ul4 n ARG 58 Cb 0.56 -5.30 -0.06 0.00 -1.16 0.00 0.00 32.46 26.49 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 4.56 2.61 -3.26 0.00 -2.24 -1.26 -5.02 114.28 109.67 1ul4 n THR 60 Ca -0.03 -2.67 -0.31 0.00 -2.27 0.00 0.00 64.05 58.77 1ul4 n THR 60 Cb 0.50 -0.33 -0.04 0.00 -2.10 0.00 0.00 70.33 68.36 1ul4 n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ul4 s ALA 61 N -3.25 3.52 -0.20 6.98 0.00 -1.26 -5.08 121.76 122.48 1ul4 s ALA 61 Ca 0.46 -0.33 -0.10 0.00 0.00 0.00 0.00 51.96 51.99 1ul4 s ALA 61 Cb 0.41 -2.47 -0.05 0.00 0.00 0.00 0.00 23.12 21.01 1ul4 s ALA 61 CO 0.01 0.30 0.12 0.34 0.00 0.00 0.00 175.76 176.53 1ul4 s ASP 62 N -2.78 6.15 -0.25 0.00 2.15 -1.26 -4.78 116.67 115.90 1ul4 s ASP 62 Ca 0.48 0.21 0.13 0.00 0.43 0.00 0.00 52.55 53.80 1ul4 s ASP 62 Cb -0.11 -2.08 0.46 0.00 -0.30 0.00 0.00 42.92 40.90 1ul4 s ASP 62 CO 0.26 0.18 1.18 0.23 -0.17 0.00 0.00 175.17 176.84 1ul4 n MET 63 N 3.51 2.61 -0.27 4.34 2.81 -1.26 -4.83 117.12 124.04 1ul4 n MET 63 Ca -0.16 -3.73 -0.05 0.00 -1.81 0.00 0.00 57.70 51.95 1ul4 n MET 63 Cb 0.52 -1.86 0.06 0.00 -0.71 0.00 0.00 33.22 31.23 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 1.99 0.97 -2.22 0.03 3.64 -1.94 -3.34 116.57 115.71 1ul4 h LYS 64 Ca 0.15 -0.06 -0.58 0.00 -1.27 0.00 0.00 60.65 58.90 1ul4 h LYS 64 Cb 1.41 -0.22 -0.39 0.00 -0.41 0.00 0.00 32.23 32.63 1ul4 h LYS 64 CO 0.46 0.64 -0.98 0.39 -2.27 0.00 0.00 179.45 177.68 1ul4 n GLU 65 N -4.58 0.75 -2.24 1.90 -0.58 -1.26 -5.03 120.64 109.61 1ul4 n GLU 65 Ca 0.07 -3.41 -0.12 0.00 -0.42 0.00 0.00 57.16 53.28 1ul4 n GLU 65 Cb 0.02 -1.54 0.04 0.00 -0.57 0.00 0.00 31.44 29.39 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 1.91 0.73 -1.85 0.62 0.00 -1.26 -5.11 120.51 115.55 1ul4 n ALA 66 Ca 0.25 -1.27 -0.30 0.00 0.00 0.00 0.00 53.44 52.12 1ul4 n ALA 66 Cb 0.49 0.36 0.05 0.00 0.00 0.00 0.00 19.45 20.35 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 -3.57 2.84 0.45 0.00 2.20 -1.26 -4.92 119.74 115.49 1ul4 s LYS 67 Ca 0.35 0.50 0.31 0.00 -0.36 0.00 0.00 55.97 56.77 1ul4 s LYS 67 Cb -0.03 -2.02 1.29 0.00 -1.51 0.00 0.00 37.83 35.56 1ul4 s LYS 67 CO 0.23 -1.06 1.91 1.25 -0.36 0.00 0.00 175.35 177.31 1ul4 h LEU 68 N -0.67 0.00 0.23 5.43 7.12 -1.99 -2.08 115.31 123.35 1ul4 h LEU 68 Ca -0.45 0.00 -0.32 0.00 0.13 0.00 0.00 57.88 57.24 1ul4 h LEU 68 Cb 1.25 0.00 0.03 0.00 -0.53 0.00 0.00 40.66 41.41 1ul4 h LEU 68 CO 0.63 0.00 -1.43 0.22 -0.13 0.00 0.00 178.44 177.74 1ul4 h TYR 69 N 0.00 0.88 0.00 1.25 3.20 -1.98 -2.23 116.97 118.08 1ul4 h TYR 69 Ca 0.00 -0.64 -0.17 0.00 3.14 0.00 0.00 58.73 61.06 1ul4 h TYR 69 Cb 0.42 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 1ul4 h TYR 69 CO 0.00 1.50 -0.80 0.45 -1.64 0.00 0.00 178.16 177.67 1ul4 h HIS 70 N 0.13 0.00 0.03 -3.82 3.86 -1.74 -2.73 115.15 110.89 1ul4 h HIS 70 Ca -0.23 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.76 1ul4 h HIS 70 Cb 2.13 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 30.57 1ul4 h HIS 70 CO 0.11 0.80 -1.06 0.00 0.86 0.00 0.00 177.93 178.64 1ul4 h ARG 71 N 0.00 0.06 0.00 2.45 3.08 -1.47 -0.78 114.38 117.72 1ul4 h ARG 71 Ca -0.01 -0.11 -0.18 0.00 0.07 0.00 0.00 59.98 59.75 1ul4 h ARG 71 Cb 1.51 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.58 1ul4 h ARG 71 CO 0.10 1.05 -0.84 -0.09 -1.07 0.00 0.00 179.97 179.12 1ul4 h ARG 72 N 0.02 0.10 -0.00 0.04 2.43 -1.43 -3.19 114.38 112.34 1ul4 h ARG 72 Ca -0.04 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1ul4 h ARG 72 Cb 1.82 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.40 1ul4 h ARG 72 CO 0.15 0.88 -0.70 0.72 -1.51 0.00 0.00 179.97 179.51 1ul4 n HIS 73 N -3.62 0.00 -3.46 2.20 8.25 -1.03 -4.97 115.22 112.59 1ul4 n HIS 73 Ca -0.02 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.24 1ul4 n HIS 73 Cb 0.79 -0.12 0.08 0.00 1.12 0.00 0.00 29.99 31.86 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 -1.37 -7.05 -3.83 -0.41 5.02 -0.44 -4.83 118.16 105.25 1ul4 n LYS 74 Ca 0.05 0.77 -0.12 0.00 -2.02 0.00 0.00 58.31 56.99 1ul4 n LYS 74 Cb 0.34 -5.62 -0.11 0.00 -0.02 0.00 0.00 35.03 29.62 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 -3.30 0.03 0.55 -0.18 0.11 -0.43 0.10 120.40 117.28 1ul4 s VAL 75 Ca 0.40 -0.27 0.00 0.00 -2.93 0.00 0.00 61.98 59.19 1ul4 s VAL 75 Cb -0.18 -0.33 0.03 0.00 -1.53 0.00 0.00 36.38 34.37 1ul4 s VAL 75 CO 0.67 -0.15 0.78 0.00 -3.33 0.00 0.00 175.10 173.07 1ul4 h GLU 77 N 0.07 0.55 -0.84 0.00 4.81 -1.97 0.86 114.58 118.06 1ul4 h GLU 77 Ca -0.43 -0.10 0.03 0.00 -0.13 0.00 0.00 59.36 58.73 1ul4 h GLU 77 Cb 1.29 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.54 1ul4 h GLU 77 CO 0.54 0.54 0.55 0.28 -0.73 0.00 0.00 179.01 180.19 1ul4 h VAL 78 N 0.53 1.15 0.00 0.32 2.07 -1.94 0.22 116.25 118.61 1ul4 h VAL 78 Ca 0.12 -0.36 -0.35 0.00 0.82 0.00 0.00 66.70 66.93 1ul4 h VAL 78 Cb 0.27 -0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.97 1ul4 h VAL 78 CO 0.00 0.19 -2.17 1.41 0.02 0.00 0.00 177.57 177.03 1ul4 n HIS 79 N -4.44 0.33 0.02 1.57 8.25 -0.98 -3.50 115.22 116.47 1ul4 n HIS 79 Ca 0.11 0.12 -0.02 0.00 -0.26 0.00 0.00 57.72 57.66 1ul4 n HIS 79 Cb 0.10 -1.06 0.23 0.00 1.12 0.00 0.00 29.99 30.38 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 0.97 1.18 -0.43 -1.41 0.00 0.90 -2.95 119.26 117.53 1ul4 h ALA 80 Ca -0.46 -0.31 -0.25 0.00 0.00 0.00 0.00 54.91 53.89 1ul4 h ALA 80 Cb 2.17 -0.13 -0.15 0.00 0.00 0.00 0.00 17.79 19.68 1ul4 h ALA 80 CO 0.04 0.52 -0.10 1.17 0.00 0.00 0.00 179.25 180.89 1ul4 n LYS 81 N -4.16 2.04 -2.47 0.00 3.00 0.05 -4.92 118.16 111.71 1ul4 n LYS 81 Ca 0.00 -3.30 -0.24 0.00 -0.00 0.00 0.00 58.31 54.78 1ul4 n LYS 81 Cb 0.36 -1.89 0.09 0.00 0.00 0.00 0.00 35.03 33.59 1ul4 n LYS 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ul4 s ALA 82 N -3.32 3.52 -0.18 3.14 0.00 -1.11 -4.98 121.76 118.83 1ul4 s ALA 82 Ca 0.47 -1.43 0.14 0.00 0.00 0.00 0.00 51.96 51.14 1ul4 s ALA 82 Cb 0.42 -2.21 -0.21 0.00 0.00 0.00 0.00 23.12 21.12 1ul4 s ALA 82 CO -0.00 -1.34 0.04 0.45 0.00 0.00 0.00 175.76 174.91 1ul4 n SER 83 N -2.81 0.82 -3.46 0.00 2.88 -1.26 -4.91 113.62 104.88 1ul4 n SER 83 Ca 0.12 -0.01 0.01 0.00 -1.33 0.00 0.00 58.87 57.66 1ul4 n SER 83 Cb 0.60 0.83 -0.04 0.00 -0.75 0.00 0.00 64.21 64.86 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 -5.22 -0.86 0.21 -3.46 1.04 -1.26 -4.91 113.70 99.24 1ul4 s SER 84 Ca -0.10 1.07 0.06 0.00 0.48 0.00 0.00 55.95 57.46 1ul4 s SER 84 Cb 0.05 1.94 -0.04 0.00 0.10 0.00 0.00 66.02 68.07 1ul4 s SER 84 CO 0.70 -0.16 0.19 -0.69 0.98 0.00 0.00 173.24 174.25 1ul4 s VAL 85 N 2.69 4.58 -0.92 5.02 1.01 -1.07 -4.97 120.40 126.75 1ul4 s VAL 85 Ca -0.02 -1.19 -0.11 0.00 0.00 0.00 0.00 61.98 60.66 1ul4 s VAL 85 Cb -0.09 -3.41 0.24 0.00 0.00 0.00 0.00 36.38 33.11 1ul4 s VAL 85 CO -0.18 -0.23 0.87 0.12 0.00 0.00 0.00 175.10 175.67 1ul4 s PHE 86 N -1.94 3.93 -0.31 5.22 5.36 -1.26 -1.89 117.98 127.10 1ul4 s PHE 86 Ca 0.32 -2.36 -0.13 0.00 -0.96 0.00 0.00 56.93 53.80 1ul4 s PHE 86 Cb -0.09 -3.74 -0.03 0.00 -0.34 0.00 0.00 43.02 38.81 1ul4 s PHE 86 CO 0.25 -0.95 0.29 -1.17 -1.46 0.00 0.00 175.22 172.18 1ul4 s LEU 87 N -0.46 4.23 -1.95 6.12 2.96 -0.11 -4.27 118.68 125.20 1ul4 s LEU 87 Ca 0.23 -0.08 0.00 0.00 -0.22 0.00 0.00 54.13 54.06 1ul4 s LEU 87 Cb -0.11 -2.25 0.00 0.00 0.50 0.00 0.00 46.19 44.33 1ul4 s LEU 87 CO -0.08 -0.19 0.00 -1.20 -1.32 0.00 0.00 176.35 173.55 1ul4 n SER 88 N 5.22 -5.34 0.00 3.68 7.64 -1.26 -1.24 113.62 122.32 1ul4 n SER 88 Ca -0.11 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1ul4 n SER 88 Cb 0.51 -4.64 0.00 0.00 -1.01 0.00 0.00 64.21 59.07 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 -0.58 2.95 3.87 0.23 0.00 -1.26 -5.03 105.19 105.37 1ul4 n GLY 89 Ca -0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 4.19 -0.30 0.99 1.02 -0.37 -4.98 118.68 119.22 1ul4 s LEU 90 Ca 0.00 0.92 -0.29 0.00 0.02 0.00 0.00 54.13 54.78 1ul4 s LEU 90 Cb 0.00 -3.62 0.02 0.00 0.02 0.00 0.00 46.19 42.60 1ul4 s LEU 90 CO 0.00 -0.05 1.06 0.20 0.02 0.00 0.00 176.35 177.58 1ul4 s ASN 91 N -2.30 6.95 0.09 2.29 -0.87 -1.26 -0.93 114.94 118.91 1ul4 s ASN 91 Ca 0.46 1.09 0.10 0.00 -1.57 0.00 0.00 52.86 52.94 1ul4 s ASN 91 Cb -0.12 -2.54 -0.03 0.00 -0.02 0.00 0.00 41.25 38.54 1ul4 s ASN 91 CO 0.21 -0.83 -0.26 -1.10 -2.57 0.00 0.00 177.10 172.54 1ul4 s GLN 92 N 3.55 1.56 0.03 -0.60 -0.21 -0.79 -0.50 119.66 122.70 1ul4 s GLN 92 Ca 0.45 -1.23 0.06 0.00 0.02 0.00 0.00 55.36 54.66 1ul4 s GLN 92 Cb -0.13 -1.90 -0.03 0.00 1.00 0.00 0.00 33.01 31.95 1ul4 s GLN 92 CO 0.14 0.47 -0.15 0.50 -2.12 0.00 0.00 175.29 174.13 1ul4 s ARG 93 N -1.68 2.21 -0.38 2.91 6.06 -0.06 -2.60 118.95 125.41 1ul4 s ARG 93 Ca 0.13 -0.91 -0.28 0.00 -2.50 0.00 0.00 55.73 52.17 1ul4 s ARG 93 Cb -0.10 -2.28 -0.01 0.00 0.06 0.00 0.00 34.95 32.62 1ul4 s ARG 93 CO 0.04 0.56 1.70 0.12 -2.50 0.00 0.00 175.30 175.21 1ul4 s PHE 94 N -0.95 1.96 -0.60 5.12 5.36 -1.26 -1.78 117.98 125.83 1ul4 s PHE 94 Ca 0.15 0.65 -0.20 0.00 -0.96 0.00 0.00 56.93 56.57 1ul4 s PHE 94 Cb -0.11 -4.18 0.08 0.00 -0.34 0.00 0.00 43.02 38.48 1ul4 s PHE 94 CO 0.06 -2.62 0.78 0.00 -1.46 0.00 0.00 175.22 171.98 1ul4 h GLN 96 N 9.28 0.00 -0.86 0.00 4.15 -1.89 0.53 115.11 126.32 1ul4 h GLN 96 Ca -0.29 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.19 1ul4 h GLN 96 Cb 1.08 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.71 1ul4 h GLN 96 CO 1.11 0.16 0.54 1.96 -1.93 0.00 0.00 178.83 180.66 1ul4 h GLN 97 N 0.00 0.96 -0.21 1.69 4.20 -1.91 -2.67 115.11 117.17 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 0.37 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1ul4 h GLN 97 CO 0.02 0.64 0.00 0.00 -0.67 0.00 0.00 178.83 178.82 1ul4 n SER 99 N -0.19 -3.42 -4.09 0.00 2.88 0.12 -4.89 113.62 104.03 1ul4 n SER 99 Ca 0.12 0.23 -0.24 0.00 -1.33 0.00 0.00 58.87 57.65 1ul4 n SER 99 Cb 0.52 -2.93 -0.09 0.00 -0.75 0.00 0.00 64.21 60.97 1ul4 n SER 99 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ul4 s ARG 100 N -2.57 1.84 0.29 -1.46 1.70 -0.87 -4.95 118.95 112.92 1ul4 s ARG 100 Ca 0.00 -2.10 -0.04 0.00 -0.47 0.00 0.00 55.73 53.12 1ul4 s ARG 100 Cb 0.00 -0.50 -0.05 0.00 -0.57 0.00 0.00 34.95 33.83 1ul4 s ARG 100 CO 0.00 -0.45 0.54 -0.06 -1.08 0.00 0.00 175.30 174.25 1ul4 s PHE 101 N -3.30 3.48 0.15 5.89 0.08 -1.26 -0.26 117.98 122.77 1ul4 s PHE 101 Ca 0.28 0.58 -0.02 0.00 0.12 0.00 0.00 56.93 57.89 1ul4 s PHE 101 Cb 0.04 -2.06 -0.03 0.00 -0.57 0.00 0.00 43.02 40.39 1ul4 s PHE 101 CO 0.16 0.18 0.11 -1.01 -0.10 0.00 0.00 175.22 174.56 1ul4 s HIS 102 N -2.10 0.84 0.55 0.36 3.76 -0.73 -4.86 115.29 113.10 1ul4 s HIS 102 Ca 0.43 -1.18 -0.19 0.00 -0.15 0.00 0.00 55.06 53.97 1ul4 s HIS 102 Cb -0.11 -0.42 -0.06 0.00 1.11 0.00 0.00 32.58 33.11 1ul4 s HIS 102 CO 0.31 -0.58 1.13 0.34 -0.85 0.00 0.00 174.74 175.09 1ul4 s ASP 103 N -3.06 5.67 0.51 1.40 -1.08 -1.26 -0.88 116.67 117.98 1ul4 s ASP 103 Ca 0.26 2.18 0.17 0.00 -0.52 0.00 0.00 52.55 54.64 1ul4 s ASP 103 Cb 0.07 -2.58 1.24 0.00 -1.46 0.00 0.00 42.92 40.19 1ul4 s ASP 103 CO 0.04 -1.25 2.09 0.25 0.52 0.00 0.00 175.17 176.82 1ul4 h LEU 104 N 1.15 0.07 -1.54 -1.34 5.85 -1.14 0.55 115.31 118.91 1ul4 h LEU 104 Ca -0.50 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1ul4 h LEU 104 Cb 1.26 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1ul4 h LEU 104 CO 0.57 0.05 0.00 1.56 -0.34 0.00 0.00 178.44 180.28 1ul4 h GLN 105 N 0.08 0.00 -1.07 1.25 4.20 -1.91 -2.45 115.11 115.22 1ul4 h GLN 105 Ca 0.09 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.31 1ul4 h GLN 105 Cb 0.26 0.00 -0.25 0.00 0.30 0.00 0.00 27.48 27.79 1ul4 h GLN 105 CO -0.01 0.00 0.63 0.39 -0.67 0.00 0.00 178.83 179.17 1ul4 n GLU 106 N -2.61 2.19 -3.64 1.46 1.02 0.18 -4.82 120.64 114.42 1ul4 n GLU 106 Ca -0.00 -2.61 -0.12 0.00 -0.02 0.00 0.00 57.16 54.41 1ul4 n GLU 106 Cb 0.16 -2.02 -0.12 0.00 -0.02 0.00 0.00 31.44 29.44 1ul4 n GLU 106 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1ul4 s PHE 107 N -2.94 -0.55 1.00 -0.32 0.08 -0.92 -4.59 117.98 109.74 1ul4 s PHE 107 Ca 0.50 1.11 -0.12 0.00 0.12 0.00 0.00 56.93 58.55 1ul4 s PHE 107 Cb 0.41 0.06 0.19 0.00 -0.57 0.00 0.00 43.02 43.11 1ul4 s PHE 107 CO 0.05 -0.42 1.08 0.34 -0.10 0.00 0.00 175.22 176.18 1ul4 s ASP 108 N 2.48 2.44 0.36 1.36 2.15 -1.18 -4.92 116.67 119.35 1ul4 s ASP 108 Ca 0.01 1.60 0.06 0.00 0.43 0.00 0.00 52.55 54.65 1ul4 s ASP 108 Cb -0.12 -2.26 0.67 0.00 -0.30 0.00 0.00 42.92 40.91 1ul4 s ASP 108 CO -0.10 -3.30 1.89 -0.33 -0.17 0.00 0.00 175.17 173.16 1ul4 h GLU 109 N -2.01 0.43 0.00 4.34 5.08 -2.00 -3.30 114.58 117.12 1ul4 h GLU 109 Ca -0.53 -0.09 -0.44 0.00 -1.00 0.00 0.00 59.36 57.30 1ul4 h GLU 109 Cb 1.30 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.42 1ul4 h GLU 109 CO 0.51 0.49 -2.53 0.00 -1.00 0.00 0.00 179.01 176.48 1ul4 n ALA 110 N -2.48 1.28 -1.89 3.43 0.00 -1.26 -4.96 120.51 114.62 1ul4 n ALA 110 Ca 0.01 -1.11 -0.41 0.00 0.00 0.00 0.00 53.44 51.93 1ul4 n ALA 110 Cb 0.25 0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 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 -2.51 4.47 -0.32 0.00 3.01 -1.24 -4.95 119.74 118.20 1ul4 s LYS 111 Ca -0.38 1.98 0.06 0.00 -1.01 0.00 0.00 55.97 56.63 1ul4 s LYS 111 Cb 0.13 -3.17 0.46 0.00 -1.01 0.00 0.00 37.83 34.23 1ul4 s LYS 111 CO 0.53 -0.07 1.22 -2.13 0.51 0.00 0.00 175.35 175.41 1ul4 n ARG 112 N 1.77 3.57 -1.25 1.68 3.00 -1.26 -3.11 116.66 121.05 1ul4 n ARG 112 Ca 0.02 -4.15 0.00 0.00 -0.00 0.00 0.00 57.85 53.72 1ul4 n ARG 112 Cb 0.44 -2.28 0.00 0.00 0.00 0.00 0.00 32.46 30.62 1ul4 n ARG 112 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1ul4 n SER 113 N -0.70 0.00 -2.27 6.15 7.64 -1.26 -4.86 113.62 118.31 1ul4 n SER 113 Ca 0.45 -0.64 0.00 0.00 1.01 0.00 0.00 58.87 59.68 1ul4 n SER 113 Cb 0.93 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.13 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 -1.14 1.86 -2.30 0.00 1.74 -1.26 -4.56 116.66 110.99 1ul4 n ARG 115 Ca 0.00 -0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.64 1ul4 n ARG 115 Cb 0.00 -1.31 -0.03 0.00 -1.02 0.00 0.00 32.46 30.10 1ul4 n ARG 115 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1ul4 s ARG 116 N -2.36 4.34 0.00 5.56 6.06 -1.26 -2.53 118.95 128.77 1ul4 s ARG 116 Ca -0.06 1.89 0.00 0.00 -2.50 0.00 0.00 55.73 55.07 1ul4 s ARG 116 Cb 0.04 -3.44 0.00 0.00 0.06 0.00 0.00 34.95 31.61 1ul4 s ARG 116 CO 0.50 -0.44 0.00 -2.13 -2.50 0.00 0.00 175.30 170.73 1ul4 n ARG 117 N 4.63 0.00 -0.24 5.12 0.00 -1.26 -4.54 116.66 120.38 1ul4 n ARG 117 Ca 0.11 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.98 1ul4 n ARG 117 Cb 0.44 0.00 0.11 0.00 0.00 0.00 0.00 32.46 33.01 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 -0.50 0.00 6.15 7.12 -1.84 -3.41 115.31 122.83 1ul4 h LEU 118 Ca 0.00 0.20 0.00 0.00 0.13 0.00 0.00 57.88 58.21 1ul4 h LEU 118 Cb 0.00 0.38 0.00 0.00 -0.53 0.00 0.00 40.66 40.51 1ul4 h LEU 118 CO 0.00 -0.20 0.00 0.00 -0.13 0.00 0.00 178.44 178.11 1ul4 n ALA 119 N -3.03 0.00 -1.89 1.25 0.00 -1.05 -5.07 120.51 110.72 1ul4 n ALA 119 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1ul4 n ALA 119 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 1ul4 n ALA 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ul4 n GLY 120 N 0.00 1.05 2.99 0.00 0.00 -1.26 -5.05 105.19 102.92 1ul4 n GLY 120 Ca 0.00 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 0.64 2.77 1.07 1.61 3.76 -1.26 -5.04 115.29 118.83 1ul4 s HIS 121 Ca 0.00 -2.01 -0.17 0.00 -0.15 0.00 0.00 55.06 52.73 1ul4 s HIS 121 Cb 0.00 -1.74 0.23 0.00 1.11 0.00 0.00 32.58 32.18 1ul4 s HIS 121 CO 0.00 -0.82 1.21 -0.80 -0.85 0.00 0.00 174.74 173.48 1ul4 s ASN 122 N 1.27 2.15 -0.32 1.40 0.02 -1.26 -4.93 114.94 113.27 1ul4 s ASN 122 Ca -0.07 0.50 -0.02 0.00 -1.02 0.00 0.00 52.86 52.26 1ul4 s ASN 122 Cb -0.19 -0.69 0.12 0.00 0.02 0.00 0.00 41.25 40.50 1ul4 s ASN 122 CO -0.06 -3.35 0.16 -1.61 0.02 0.00 0.00 177.10 172.27 1ul4 s GLU 123 N -5.61 0.44 0.04 -0.60 2.02 -1.26 -4.73 118.70 108.99 1ul4 s GLU 123 Ca 0.72 -0.98 -0.01 0.00 0.02 0.00 0.00 54.97 54.72 1ul4 s GLU 123 Cb -0.08 -1.35 -0.01 0.00 0.10 0.00 0.00 34.13 32.79 1ul4 s GLU 123 CO 0.54 -1.10 -0.03 -2.13 0.02 0.00 0.00 175.26 172.56 1ul4 n ARG 124 N 4.64 0.05 -1.19 1.61 0.63 -1.26 -4.89 116.66 116.26 1ul4 n ARG 124 Ca 0.02 0.02 0.05 0.00 -0.92 0.00 0.00 57.85 57.02 1ul4 n ARG 124 Cb 0.40 -0.58 0.08 0.00 0.45 0.00 0.00 32.46 32.80 1ul4 n ARG 124 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1ul4 n ARG 125 N -3.40 0.52 -3.64 -0.14 1.74 -1.26 -5.06 116.66 105.41 1ul4 n ARG 125 Ca -0.03 -2.42 -0.03 0.00 -0.77 0.00 0.00 57.85 54.60 1ul4 n ARG 125 Cb 0.23 -0.54 -0.06 0.00 -1.02 0.00 0.00 32.46 31.07 1ul4 n ARG 125 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1ul4 s ARG 126 N -1.07 0.11 0.70 5.56 1.04 -1.26 -5.17 118.95 118.87 1ul4 s ARG 126 Ca 0.35 0.10 -0.10 0.00 -1.04 0.00 0.00 55.73 55.04 1ul4 s ARG 126 Cb 0.38 0.06 0.04 0.00 -2.04 0.00 0.00 34.95 33.38 1ul4 s ARG 126 CO -0.13 -0.02 1.06 0.15 -0.04 0.00 0.00 175.30 176.31 1ul4 s LYS 127 N -0.30 2.56 -0.10 3.89 -0.14 -1.26 -4.56 119.74 119.83 1ul4 s LYS 127 Ca 0.07 0.17 -0.29 0.00 -1.36 0.00 0.00 55.97 54.56 1ul4 s LYS 127 Cb -0.04 -2.08 -0.06 0.00 -1.68 0.00 0.00 37.83 33.97 1ul4 s LYS 127 CO -0.12 -1.12 2.02 -1.54 -0.76 0.00 0.00 175.35 173.83 1ul4 s SER 128 N -4.42 6.03 0.00 2.83 1.04 -1.26 -4.78 113.70 113.14 1ul4 s SER 128 Ca 0.58 2.21 0.00 0.00 0.48 0.00 0.00 55.95 59.22 1ul4 s SER 128 Cb -0.11 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1ul4 s SER 128 CO 0.49 -1.45 0.00 -1.54 0.98 0.00 0.00 173.24 171.71 1ul4 n SER 129 N 9.36 2.51 -4.70 7.02 3.41 -1.26 -5.05 113.62 124.92 1ul4 n SER 129 Ca 0.24 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.41 1ul4 n SER 129 Cb 0.43 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.36 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 3.09 0.89 0.89 5.00 0.00 -1.26 -5.27 105.19 108.52 1ul4 n GLY 130 Ca 0.00 0.45 0.11 0.00 0.00 0.00 0.00 46.02 46.58 1ul4 n GLY 130 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50