#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 2.48 -0.03 3.23 0.52 -1.26 -3.47 118.95 120.42 1ul4 s ARG 52 Ca 0.00 0.70 0.08 0.00 -0.52 0.00 0.00 55.73 55.99 1ul4 s ARG 52 Cb 0.00 -4.50 0.14 0.00 0.52 0.00 0.00 34.95 31.11 1ul4 s ARG 52 CO 0.00 -2.95 1.06 1.28 0.02 0.00 0.00 175.30 174.71 1ul4 n LEU 53 N 13.70 0.63 -4.73 2.53 4.77 -1.26 -5.08 117.00 127.56 1ul4 n LEU 53 Ca 0.26 -1.60 -0.41 0.00 -0.03 0.00 0.00 56.01 54.24 1ul4 n LEU 53 Cb 0.52 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.49 1ul4 n LEU 53 CO 0.70 0.41 0.54 0.00 -1.33 0.00 0.00 177.39 177.70 1ul4 h GLN 55 N 6.12 0.00 -6.86 0.00 3.07 0.28 -3.42 115.11 114.29 1ul4 h GLN 55 Ca -0.42 0.00 -0.49 0.00 0.09 0.00 0.00 58.65 57.82 1ul4 h GLN 55 Cb 1.21 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.78 1ul4 h GLN 55 CO 0.73 0.00 0.44 0.08 0.09 0.00 0.00 178.83 180.17 1ul4 s VAL 56 N -5.00 3.61 0.44 1.86 1.01 -1.26 -5.04 120.40 116.02 1ul4 s VAL 56 Ca -0.05 1.46 -0.05 0.00 0.00 0.00 0.00 61.98 63.34 1ul4 s VAL 56 Cb 0.18 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1ul4 s VAL 56 CO 0.68 0.23 0.73 -1.81 0.00 0.00 0.00 175.10 174.93 1ul4 s ASP 57 N -1.16 6.31 -1.81 3.32 1.01 -1.26 -4.09 116.67 118.99 1ul4 s ASP 57 Ca 0.49 0.87 0.00 0.00 0.71 0.00 0.00 52.55 54.62 1ul4 s ASP 57 Cb -0.28 -2.22 0.00 0.00 1.01 0.00 0.00 42.92 41.44 1ul4 s ASP 57 CO 0.35 -0.49 0.00 0.54 0.21 0.00 0.00 175.17 175.78 1ul4 n ARG 58 N -2.01 -1.42 -3.01 8.23 1.74 -1.26 -4.96 116.66 113.98 1ul4 n ARG 58 Ca -0.00 1.04 -0.40 0.00 -0.77 0.00 0.00 57.85 57.71 1ul4 n ARG 58 Cb 0.55 -5.47 -0.05 0.00 -1.02 0.00 0.00 32.46 26.47 1ul4 n ARG 58 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ul4 n THR 60 N 4.12 1.04 -1.68 0.00 -2.24 -1.26 -4.93 114.28 109.33 1ul4 n THR 60 Ca 0.00 -0.74 -0.47 0.00 -2.27 0.00 0.00 64.05 60.58 1ul4 n THR 60 Cb 0.51 -0.45 -0.04 0.00 -2.10 0.00 0.00 70.33 68.24 1ul4 n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ul4 n ALA 61 N -2.55 1.06 -1.78 6.98 0.00 -1.26 -4.94 120.51 118.01 1ul4 n ALA 61 Ca -0.20 0.27 -0.37 0.00 0.00 0.00 0.00 53.44 53.14 1ul4 n ALA 61 Cb 0.95 -2.54 -0.06 0.00 0.00 0.00 0.00 19.45 17.80 1ul4 n ALA 61 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ul4 s ASP 62 N 4.11 7.14 -0.47 0.00 2.15 -1.26 -4.91 116.67 123.43 1ul4 s ASP 62 Ca 0.92 1.91 0.03 0.00 0.43 0.00 0.00 52.55 55.84 1ul4 s ASP 62 Cb -0.63 -2.58 0.60 0.00 -0.30 0.00 0.00 42.92 40.01 1ul4 s ASP 62 CO 0.49 -0.21 1.87 0.23 -0.17 0.00 0.00 175.17 177.38 1ul4 n MET 63 N 0.35 2.32 0.09 4.34 2.81 -1.23 -4.47 117.12 121.33 1ul4 n MET 63 Ca 0.03 -3.12 -0.09 0.00 -1.81 0.00 0.00 57.70 52.71 1ul4 n MET 63 Cb 0.50 -2.16 -0.04 0.00 -0.71 0.00 0.00 33.22 30.81 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 1.23 0.15 -0.60 0.03 3.64 -1.93 -3.31 116.57 115.78 1ul4 h LYS 64 Ca 0.58 -0.18 -0.44 0.00 -1.27 0.00 0.00 60.65 59.34 1ul4 h LYS 64 Cb 2.27 0.06 -0.33 0.00 -0.41 0.00 0.00 32.23 33.82 1ul4 h LYS 64 CO 1.11 0.97 -0.65 0.39 -2.27 0.00 0.00 179.45 179.00 1ul4 n GLU 65 N -3.58 3.12 -1.91 1.90 1.02 -1.26 -4.98 120.64 114.94 1ul4 n GLU 65 Ca -0.03 -3.93 -0.29 0.00 -0.02 0.00 0.00 57.16 52.89 1ul4 n GLU 65 Cb 0.85 -2.14 0.11 0.00 -0.02 0.00 0.00 31.44 30.25 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 -3.53 2.54 0.32 0.62 0.00 -1.24 -5.09 121.76 115.39 1ul4 s ALA 66 Ca 0.49 -0.79 0.06 0.00 0.00 0.00 0.00 51.96 51.72 1ul4 s ALA 66 Cb 0.41 -2.91 -0.01 0.00 0.00 0.00 0.00 23.12 20.60 1ul4 s ALA 66 CO 0.01 -1.88 0.45 0.21 0.00 0.00 0.00 175.76 174.56 1ul4 s LYS 67 N -5.66 3.14 0.54 0.00 2.20 -1.26 -4.98 119.74 113.72 1ul4 s LYS 67 Ca 0.65 -0.99 0.24 0.00 -0.36 0.00 0.00 55.97 55.50 1ul4 s LYS 67 Cb -0.09 -2.82 1.50 0.00 -1.51 0.00 0.00 37.83 34.91 1ul4 s LYS 67 CO 0.50 0.10 2.16 -0.07 -0.36 0.00 0.00 175.35 177.68 1ul4 h LEU 68 N 0.93 0.00 -0.00 5.43 3.38 -2.00 -1.19 115.31 121.87 1ul4 h LEU 68 Ca -0.46 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.30 1ul4 h LEU 68 Cb 1.25 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 1ul4 h LEU 68 CO 0.54 0.05 -0.97 0.22 0.09 0.00 0.00 178.44 178.37 1ul4 h TYR 69 N 0.00 0.00 -0.03 1.13 5.03 -1.99 -3.20 116.97 117.91 1ul4 h TYR 69 Ca -0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1ul4 h TYR 69 Cb 0.12 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.40 1ul4 h TYR 69 CO 0.00 0.97 0.00 0.72 -1.32 0.00 0.00 178.16 178.53 1ul4 n HIS 70 N -3.35 0.02 -0.05 -3.82 8.25 -0.58 -3.86 115.22 111.83 1ul4 n HIS 70 Ca 0.00 -0.01 -0.04 0.00 -0.26 0.00 0.00 57.72 57.42 1ul4 n HIS 70 Cb 0.93 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 32.02 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 0.25 0.31 0.13 -0.41 1.74 -0.55 -2.83 116.66 115.30 1ul4 n ARG 71 Ca 0.19 0.40 0.19 0.00 -0.77 0.00 0.00 57.85 57.85 1ul4 n ARG 71 Cb 0.37 -1.35 0.77 0.00 -1.02 0.00 0.00 32.46 31.22 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 -0.68 0.00 0.00 5.56 0.11 -1.75 0.39 114.38 118.01 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 0.39 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.47 1ul4 h ARG 72 CO 0.00 0.00 -0.27 0.45 0.10 0.00 0.00 179.97 180.25 1ul4 h HIS 73 N 0.00 0.00 -2.37 4.08 3.86 -1.75 -3.47 115.15 115.50 1ul4 h HIS 73 Ca 0.16 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 59.05 1ul4 h HIS 73 Cb 0.81 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.27 1ul4 h HIS 73 CO 0.00 0.00 -0.41 1.63 0.86 0.00 0.00 177.93 180.01 1ul4 n LYS 74 N -2.83 -1.45 -4.06 2.45 5.02 0.14 -4.83 118.16 112.60 1ul4 n LYS 74 Ca 0.03 0.77 -0.14 0.00 -2.02 0.00 0.00 58.31 56.95 1ul4 n LYS 74 Cb 0.52 -5.16 -0.14 0.00 -0.02 0.00 0.00 35.03 30.22 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 -2.81 0.28 0.60 -0.18 0.11 -1.13 0.96 120.40 118.23 1ul4 s VAL 75 Ca 0.02 -0.24 -0.04 0.00 -2.93 0.00 0.00 61.98 58.79 1ul4 s VAL 75 Cb -0.01 -0.26 0.03 0.00 -1.53 0.00 0.00 36.38 34.61 1ul4 s VAL 75 CO 0.02 0.02 0.88 0.00 -3.33 0.00 0.00 175.10 172.69 1ul4 h GLU 77 N -0.18 0.53 -0.93 0.00 4.22 -1.96 0.76 114.58 117.02 1ul4 h GLU 77 Ca -0.44 -0.08 0.03 0.00 0.08 0.00 0.00 59.36 58.95 1ul4 h GLU 77 Cb 1.29 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.39 1ul4 h GLU 77 CO 0.58 0.49 0.61 0.28 -2.18 0.00 0.00 179.01 178.79 1ul4 h VAL 78 N 0.52 1.17 0.00 0.32 2.07 -1.98 -0.33 116.25 118.02 1ul4 h VAL 78 Ca 0.12 -0.40 -0.33 0.00 0.82 0.00 0.00 66.70 66.90 1ul4 h VAL 78 Cb 0.20 -0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 29.80 1ul4 h VAL 78 CO -0.00 0.22 -2.07 1.41 0.02 0.00 0.00 177.57 177.14 1ul4 n HIS 79 N -4.44 0.50 0.20 1.57 8.25 -0.96 -2.61 115.22 117.73 1ul4 n HIS 79 Ca 0.12 0.17 0.04 0.00 -0.26 0.00 0.00 57.72 57.79 1ul4 n HIS 79 Cb 0.09 -1.09 0.42 0.00 1.12 0.00 0.00 29.99 30.53 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 0.94 1.51 0.00 -1.41 0.00 0.70 -3.04 119.26 117.96 1ul4 h ALA 80 Ca -0.43 -0.27 -0.26 0.00 0.00 0.00 0.00 54.91 53.96 1ul4 h ALA 80 Cb 2.12 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.82 1ul4 h ALA 80 CO 0.05 0.37 -2.19 1.17 0.00 0.00 0.00 179.25 178.64 1ul4 n LYS 81 N -4.19 0.68 -1.68 0.00 4.81 -0.15 -4.96 118.16 112.67 1ul4 n LYS 81 Ca -0.02 -0.03 -0.42 0.00 -0.87 0.00 0.00 58.31 56.97 1ul4 n LYS 81 Cb 0.34 -1.55 0.01 0.00 0.02 0.00 0.00 35.03 33.84 1ul4 n LYS 81 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ul4 n ALA 82 N -2.59 1.05 0.12 3.14 0.00 -1.07 -4.95 120.51 116.21 1ul4 n ALA 82 Ca -0.23 0.29 -0.07 0.00 0.00 0.00 0.00 53.44 53.43 1ul4 n ALA 82 Cb 0.98 -2.22 -0.03 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 2.12 -0.34 -2.60 0.00 0.02 -1.90 -3.41 113.55 107.45 1ul4 h SER 83 Ca -0.46 -0.02 -0.60 0.00 -0.84 0.00 0.00 61.79 59.86 1ul4 h SER 83 Cb 1.30 0.09 -0.13 0.00 0.14 0.00 0.00 62.40 63.80 1ul4 h SER 83 CO 0.60 0.13 -0.71 -0.94 -1.14 0.00 0.00 176.83 174.76 1ul4 s SER 84 N -5.12 4.13 0.07 3.07 1.04 -1.26 -4.12 113.70 111.52 1ul4 s SER 84 Ca -0.07 -0.72 -0.11 0.00 0.48 0.00 0.00 55.95 55.53 1ul4 s SER 84 Cb 0.01 -0.63 0.01 0.00 0.10 0.00 0.00 66.02 65.51 1ul4 s SER 84 CO 0.21 0.06 0.26 -0.69 0.98 0.00 0.00 173.24 174.05 1ul4 s VAL 85 N -2.06 0.11 -1.05 5.02 1.01 0.52 -4.98 120.40 118.96 1ul4 s VAL 85 Ca 0.28 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 1ul4 s VAL 85 Cb -0.07 -1.12 0.24 0.00 0.00 0.00 0.00 36.38 35.43 1ul4 s VAL 85 CO 0.16 -0.49 1.08 0.12 0.00 0.00 0.00 175.10 175.97 1ul4 s PHE 86 N -3.22 3.97 -0.39 5.22 5.36 -1.26 -2.11 117.98 125.56 1ul4 s PHE 86 Ca -0.00 -2.37 -0.19 0.00 -0.96 0.00 0.00 56.93 53.41 1ul4 s PHE 86 Cb 0.02 -3.93 0.01 0.00 -0.34 0.00 0.00 43.02 38.77 1ul4 s PHE 86 CO -0.08 -1.06 0.55 -0.51 -1.46 0.00 0.00 175.22 172.67 1ul4 s LEU 87 N -0.27 4.47 -1.54 6.12 1.02 -0.38 -4.19 118.68 123.91 1ul4 s LEU 87 Ca 0.30 -0.21 -0.04 0.00 0.02 0.00 0.00 54.13 54.20 1ul4 s LEU 87 Cb -0.09 -2.62 0.01 0.00 0.02 0.00 0.00 46.19 43.52 1ul4 s LEU 87 CO -0.07 -0.60 0.50 -1.54 0.02 0.00 0.00 176.35 174.66 1ul4 n SER 88 N 5.91 -5.76 -0.86 2.29 3.41 -1.26 -1.28 113.62 116.07 1ul4 n SER 88 Ca -0.04 -0.25 -0.08 0.00 -0.26 0.00 0.00 58.87 58.24 1ul4 n SER 88 Cb 0.48 -4.69 -0.01 0.00 -0.26 0.00 0.00 64.21 59.73 1ul4 n SER 88 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ul4 n GLY 89 N -1.40 0.26 3.13 5.00 0.00 -1.26 -5.03 105.19 105.89 1ul4 n GLY 89 Ca -0.12 -0.57 -0.17 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.23 2.24 -0.34 0.99 2.96 -0.40 -5.11 118.68 116.79 1ul4 s LEU 90 Ca 0.00 -0.55 -0.25 0.00 -0.22 0.00 0.00 54.13 53.11 1ul4 s LEU 90 Cb 0.00 -0.42 0.01 0.00 0.50 0.00 0.00 46.19 46.28 1ul4 s LEU 90 CO 0.00 -0.09 0.89 0.20 -1.32 0.00 0.00 176.35 176.03 1ul4 s ASN 91 N -1.53 6.71 0.13 3.68 -0.87 -1.26 -1.24 114.94 120.55 1ul4 s ASN 91 Ca -0.04 0.67 -0.01 0.00 -1.57 0.00 0.00 52.86 51.91 1ul4 s ASN 91 Cb -0.09 -2.45 -0.04 0.00 -0.02 0.00 0.00 41.25 38.64 1ul4 s ASN 91 CO 0.01 -0.77 0.06 -1.10 -2.57 0.00 0.00 177.10 172.73 1ul4 s GLN 92 N 3.30 0.94 -0.02 -0.60 -0.21 -0.89 -0.73 119.66 121.45 1ul4 s GLN 92 Ca 0.37 -1.44 0.02 0.00 0.02 0.00 0.00 55.36 54.32 1ul4 s GLN 92 Cb -0.13 0.24 0.00 0.00 1.00 0.00 0.00 33.01 34.13 1ul4 s GLN 92 CO 0.16 -0.27 -0.07 1.03 -2.12 0.00 0.00 175.29 174.03 1ul4 s ARG 93 N -4.05 0.73 -0.21 2.91 0.52 0.22 -0.36 118.95 118.70 1ul4 s ARG 93 Ca 0.25 -0.22 -0.28 0.00 -0.52 0.00 0.00 55.73 54.95 1ul4 s ARG 93 Cb 0.07 -0.71 -0.05 0.00 0.52 0.00 0.00 34.95 34.79 1ul4 s ARG 93 CO 0.02 0.08 2.06 0.12 0.02 0.00 0.00 175.30 177.60 1ul4 s PHE 94 N 0.22 1.38 -0.56 -0.53 5.36 -1.26 -0.88 117.98 121.70 1ul4 s PHE 94 Ca -0.03 0.44 -0.18 0.00 -0.96 0.00 0.00 56.93 56.20 1ul4 s PHE 94 Cb -0.07 -4.01 0.11 0.00 -0.34 0.00 0.00 43.02 38.70 1ul4 s PHE 94 CO 0.00 -3.94 0.62 0.00 -1.46 0.00 0.00 175.22 170.44 1ul4 h GLN 96 N 9.07 0.00 -0.64 0.00 4.20 -1.92 0.90 115.11 126.71 1ul4 h GLN 96 Ca -0.29 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.45 1ul4 h GLN 96 Cb 1.09 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.83 1ul4 h GLN 96 CO 1.06 0.07 0.39 0.37 -0.67 0.00 0.00 178.83 180.05 1ul4 h GLN 97 N 0.00 0.74 -0.34 1.46 -0.00 -1.90 -2.68 115.11 112.39 1ul4 h GLN 97 Ca -0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.60 1ul4 h GLN 97 Cb 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 27.48 27.46 1ul4 h GLN 97 CO 0.01 0.49 0.00 0.00 0.00 0.00 0.00 178.83 179.33 1ul4 n SER 99 N 0.10 -3.10 -3.88 0.00 2.88 0.25 -4.88 113.62 104.99 1ul4 n SER 99 Ca 0.17 0.24 -0.21 0.00 -1.33 0.00 0.00 58.87 57.74 1ul4 n SER 99 Cb 0.69 -2.79 -0.09 0.00 -0.75 0.00 0.00 64.21 61.27 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 -2.67 1.73 0.41 -1.46 1.70 -0.81 -4.94 118.95 112.92 1ul4 s ARG 100 Ca 0.00 -2.02 -0.02 0.00 -0.47 0.00 0.00 55.73 53.22 1ul4 s ARG 100 Cb 0.00 -0.16 -0.03 0.00 -0.57 0.00 0.00 34.95 34.19 1ul4 s ARG 100 CO 0.00 -0.50 0.66 -0.06 -1.08 0.00 0.00 175.30 174.32 1ul4 s PHE 101 N -3.45 3.52 -0.02 5.89 0.40 -1.26 0.11 117.98 123.17 1ul4 s PHE 101 Ca 0.33 0.56 -0.02 0.00 -0.60 0.00 0.00 56.93 57.20 1ul4 s PHE 101 Cb 0.04 -2.10 0.01 0.00 0.51 0.00 0.00 43.02 41.48 1ul4 s PHE 101 CO 0.19 -0.08 0.07 -1.01 0.70 0.00 0.00 175.22 175.09 1ul4 s HIS 102 N -2.52 -0.06 1.00 0.36 3.76 -0.06 -4.80 115.29 112.96 1ul4 s HIS 102 Ca 0.44 0.16 -0.12 0.00 -0.15 0.00 0.00 55.06 55.39 1ul4 s HIS 102 Cb -0.10 0.02 0.15 0.00 1.11 0.00 0.00 32.58 33.76 1ul4 s HIS 102 CO 0.40 -0.05 0.85 -3.47 -0.85 0.00 0.00 174.74 171.63 1ul4 n ASP 103 N 2.97 -0.89 0.18 1.40 -0.08 -1.26 0.70 116.55 119.56 1ul4 n ASP 103 Ca -0.13 0.23 0.04 0.00 -1.51 0.00 0.00 54.79 53.42 1ul4 n ASP 103 Cb 0.59 -1.33 0.30 0.00 2.34 0.00 0.00 41.12 43.03 1ul4 n ASP 103 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1ul4 h LEU 104 N -2.02 0.00 0.00 -2.67 -0.00 -1.25 -2.73 115.31 106.65 1ul4 h LEU 104 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 1ul4 h LEU 104 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.95 1ul4 h LEU 104 CO 0.41 0.43 0.00 0.00 -0.00 0.00 0.00 178.44 179.28 1ul4 n GLN 105 N -3.61 0.51 0.10 1.13 6.02 -1.26 -3.19 117.38 117.08 1ul4 n GLN 105 Ca -0.00 0.03 -0.15 0.00 -0.01 0.00 0.00 57.00 56.86 1ul4 n GLN 105 Cb 0.53 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 30.15 1ul4 n GLN 105 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1ul4 h GLU 106 N 0.00 0.25 -3.79 -1.09 4.39 -1.83 -3.47 114.58 109.03 1ul4 h GLU 106 Ca 0.00 -0.42 -0.09 0.00 0.34 0.00 0.00 59.36 59.19 1ul4 h GLU 106 Cb 0.18 0.16 -0.14 0.00 -0.10 0.00 0.00 28.75 28.84 1ul4 h GLU 106 CO 0.00 1.20 -0.38 -0.59 -1.16 0.00 0.00 179.01 178.09 1ul4 s PHE 107 N -2.66 0.15 -0.03 4.33 -0.12 -1.19 -4.97 117.98 113.48 1ul4 s PHE 107 Ca -0.04 -0.57 0.01 0.00 -0.05 0.00 0.00 56.93 56.29 1ul4 s PHE 107 Cb 0.07 -0.06 0.04 0.00 -0.63 0.00 0.00 43.02 42.44 1ul4 s PHE 107 CO 0.88 -0.53 0.50 -0.25 -0.05 0.00 0.00 175.22 175.77 1ul4 n ASP 108 N -0.00 -0.16 -2.51 1.98 8.00 -1.26 -4.83 116.55 117.77 1ul4 n ASP 108 Ca -0.15 -0.92 -0.10 0.00 0.71 0.00 0.00 54.79 54.33 1ul4 n ASP 108 Cb 0.62 0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.76 1ul4 n ASP 108 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ul4 n GLU 109 N -0.14 1.04 -0.03 -1.24 -0.58 -1.26 -5.01 120.64 113.43 1ul4 n GLU 109 Ca -0.02 -1.25 0.23 0.00 -0.42 0.00 0.00 57.16 55.69 1ul4 n GLU 109 Cb 0.49 0.57 0.72 0.00 -0.57 0.00 0.00 31.44 32.64 1ul4 n GLU 109 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ul4 h ALA 110 N 1.19 2.50 -2.56 0.62 0.00 -2.05 -3.42 119.26 115.55 1ul4 h ALA 110 Ca -0.12 -0.02 -0.52 0.00 0.00 0.00 0.00 54.91 54.24 1ul4 h ALA 110 Cb 0.44 0.05 0.14 0.00 0.00 0.00 0.00 17.79 18.41 1ul4 h ALA 110 CO 0.20 -0.79 0.37 0.15 0.00 0.00 0.00 179.25 179.18 1ul4 s LYS 111 N -4.89 2.26 -0.11 0.00 1.02 -1.26 -4.98 119.74 111.79 1ul4 s LYS 111 Ca -0.05 1.59 0.15 0.00 0.02 0.00 0.00 55.97 57.68 1ul4 s LYS 111 Cb 0.19 -1.87 0.31 0.00 -0.52 0.00 0.00 37.83 35.94 1ul4 s LYS 111 CO 0.69 -1.70 1.18 -2.13 -0.92 0.00 0.00 175.35 172.47 1ul4 n ARG 112 N -2.79 0.58 -2.69 1.68 0.63 -1.26 -4.85 116.66 107.96 1ul4 n ARG 112 Ca 0.12 -1.84 -0.07 0.00 -0.92 0.00 0.00 57.85 55.14 1ul4 n ARG 112 Cb 0.51 -0.08 0.09 0.00 0.45 0.00 0.00 32.46 33.44 1ul4 n ARG 112 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1ul4 n SER 113 N -0.23 -0.93 -1.20 6.15 7.64 -1.26 -4.93 113.62 118.85 1ul4 n SER 113 Ca -0.09 -2.52 0.16 0.00 1.01 0.00 0.00 58.87 57.44 1ul4 n SER 113 Cb 0.90 0.57 -0.05 0.00 -1.01 0.00 0.00 64.21 64.62 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 -3.80 1.77 -1.68 0.00 0.00 -1.26 -4.57 116.66 107.12 1ul4 n ARG 115 Ca -0.00 0.02 -0.43 0.00 -0.00 0.00 0.00 57.85 57.44 1ul4 n ARG 115 Cb 0.55 -1.22 -0.03 0.00 -0.00 0.00 0.00 32.46 31.76 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 -2.50 2.73 0.00 2.89 0.63 -1.26 -0.80 116.66 118.35 1ul4 n ARG 116 Ca -0.16 0.99 0.00 0.00 -0.92 0.00 0.00 57.85 57.77 1ul4 n ARG 116 Cb 0.75 -2.89 0.00 0.00 0.45 0.00 0.00 32.46 30.77 1ul4 n ARG 116 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1ul4 n ARG 117 N 5.87 0.00 -0.25 -0.14 3.00 -1.26 -4.48 116.66 119.39 1ul4 n ARG 117 Ca 0.19 0.00 0.06 0.00 -0.00 0.00 0.00 57.85 58.09 1ul4 n ARG 117 Cb 0.37 0.00 0.17 0.00 0.00 0.00 0.00 32.46 33.00 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 -0.16 -8.19 6.15 7.12 -1.85 -3.30 115.31 115.10 1ul4 h LEU 118 Ca 0.00 0.17 -0.58 0.00 0.13 0.00 0.00 57.88 57.60 1ul4 h LEU 118 Cb 0.00 0.27 -0.10 0.00 -0.53 0.00 0.00 40.66 40.30 1ul4 h LEU 118 CO 0.00 -0.11 1.33 0.00 -0.13 0.00 0.00 178.44 179.53 1ul4 s ALA 119 N -6.07 2.75 -0.49 1.25 0.00 0.02 -4.79 121.76 114.42 1ul4 s ALA 119 Ca -0.13 -2.00 0.06 0.00 0.00 0.00 0.00 51.96 49.89 1ul4 s ALA 119 Cb 0.22 -4.42 0.22 0.00 0.00 0.00 0.00 23.12 19.14 1ul4 s ALA 119 CO 0.75 -3.48 0.84 0.41 0.00 0.00 0.00 175.76 174.28 1ul4 n GLY 120 N 6.36 -0.38 1.54 0.00 0.00 -1.24 -4.92 105.19 106.55 1ul4 n GLY 120 Ca 0.23 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1ul4 n GLY 120 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1ul4 n HIS 121 N 2.26 -0.01 -4.46 1.61 1.44 -1.26 -5.11 115.22 109.69 1ul4 n HIS 121 Ca 0.13 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.63 1ul4 n HIS 121 Cb 0.60 0.39 -0.15 0.00 0.12 0.00 0.00 29.99 30.94 1ul4 n HIS 121 CO 0.00 0.00 0.00 -0.80 -2.81 0.00 0.00 176.34 172.73 1ul4 s ASN 122 N -4.53 1.35 0.20 4.39 0.01 -1.26 -5.15 114.94 109.95 1ul4 s ASN 122 Ca 0.00 -0.21 0.04 0.00 -0.71 0.00 0.00 52.86 51.98 1ul4 s ASN 122 Cb 0.00 -0.33 -0.05 0.00 0.41 0.00 0.00 41.25 41.28 1ul4 s ASN 122 CO 0.00 0.09 -0.05 -0.70 -1.51 0.00 0.00 177.10 174.93 1ul4 s GLU 123 N 0.10 1.24 -0.12 -0.60 2.12 -1.26 -5.06 118.70 115.12 1ul4 s GLU 123 Ca -0.02 -1.59 0.09 0.00 0.36 0.00 0.00 54.97 53.81 1ul4 s GLU 123 Cb -0.08 -0.66 -0.14 0.00 0.26 0.00 0.00 34.13 33.51 1ul4 s GLU 123 CO 0.01 -0.01 0.02 2.89 -0.54 0.00 0.00 175.26 177.62 1ul4 n ARG 124 N -0.34 1.87 -0.80 4.30 0.00 -1.26 -5.11 116.66 115.32 1ul4 n ARG 124 Ca -0.07 0.01 0.11 0.00 -0.00 0.00 0.00 57.85 57.89 1ul4 n ARG 124 Cb 0.62 -1.30 -0.03 0.00 -0.00 0.00 0.00 32.46 31.76 1ul4 n ARG 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1ul4 n ARG 125 N -2.50 -1.61 -3.18 2.89 1.74 -1.26 -4.88 116.66 107.86 1ul4 n ARG 125 Ca -0.20 1.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.95 1ul4 n ARG 125 Cb 0.86 -1.96 -0.01 0.00 -1.02 0.00 0.00 32.46 30.33 1ul4 n ARG 125 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1ul4 s ARG 126 N -1.34 0.83 -0.01 5.56 6.06 -1.26 -5.15 118.95 123.65 1ul4 s ARG 126 Ca 0.00 -0.32 0.02 0.00 -2.50 0.00 0.00 55.73 52.93 1ul4 s ARG 126 Cb 0.00 0.08 -0.00 0.00 0.06 0.00 0.00 34.95 35.09 1ul4 s ARG 126 CO 0.00 -1.20 -0.05 0.15 -2.50 0.00 0.00 175.30 171.70 1ul4 s LYS 127 N 1.78 0.45 -0.45 5.12 1.02 -1.26 -5.05 119.74 121.36 1ul4 s LYS 127 Ca 0.17 -0.19 0.03 0.00 0.02 0.00 0.00 55.97 56.00 1ul4 s LYS 127 Cb -0.04 -0.44 0.45 0.00 -0.52 0.00 0.00 37.83 37.29 1ul4 s LYS 127 CO -0.07 0.11 1.53 0.43 -0.92 0.00 0.00 175.35 176.44 1ul4 n SER 128 N 2.97 6.05 -4.71 2.83 7.64 -1.26 -5.05 113.62 122.10 1ul4 n SER 128 Ca -0.13 -3.77 -0.31 0.00 1.01 0.00 0.00 58.87 55.68 1ul4 n SER 128 Cb 0.58 -0.60 0.13 0.00 -1.01 0.00 0.00 64.21 63.31 1ul4 n SER 128 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ul4 s SER 129 N -2.87 3.60 -0.26 6.43 0.01 -1.26 -5.05 113.70 114.29 1ul4 s SER 129 Ca 0.56 1.90 -0.03 0.00 1.31 0.00 0.00 55.95 59.69 1ul4 s SER 129 Cb 0.45 -2.48 0.15 0.00 0.21 0.00 0.00 66.02 64.35 1ul4 s SER 129 CO 0.01 -2.62 0.48 -0.83 0.41 0.00 0.00 173.24 170.69 1ul4 s GLY 130 N -3.09 -0.64 0.00 3.44 0.00 -1.26 -5.31 107.32 100.47 1ul4 s GLY 130 Ca 0.64 1.42 0.00 0.00 0.00 0.00 0.00 44.72 46.78 1ul4 s GLY 130 CO 0.57 2.92 0.00 1.18 0.00 0.00 0.00 173.10 177.77