#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 3.66 -0.05 3.23 1.81 -1.26 -4.43 118.95 121.91 1ul4 s ARG 52 Ca 0.00 -2.16 0.09 0.00 -1.72 0.00 0.00 55.73 51.94 1ul4 s ARG 52 Cb 0.00 -4.71 0.15 0.00 -0.45 0.00 0.00 34.95 29.94 1ul4 s ARG 52 CO 0.00 -1.55 1.07 1.28 -0.68 0.00 0.00 175.30 175.42 1ul4 n LEU 53 N 5.27 0.94 -4.70 2.53 4.77 -1.26 -5.06 117.00 119.48 1ul4 n LEU 53 Ca 0.21 -1.88 -0.40 0.00 -0.03 0.00 0.00 56.01 53.91 1ul4 n LEU 53 Cb 0.47 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.37 1ul4 n LEU 53 CO 0.44 0.47 0.49 0.00 -1.33 0.00 0.00 177.39 177.46 1ul4 h GLN 55 N 6.91 0.78 -6.46 0.00 3.07 -1.93 -3.42 115.11 114.06 1ul4 h GLN 55 Ca -0.38 -0.05 -0.53 0.00 0.09 0.00 0.00 58.65 57.77 1ul4 h GLN 55 Cb 1.19 -0.17 0.03 0.00 0.08 0.00 0.00 27.48 28.60 1ul4 h GLN 55 CO 0.77 0.53 1.07 0.08 0.09 0.00 0.00 178.83 181.37 1ul4 s VAL 56 N -5.65 2.86 0.63 1.86 1.01 -1.26 -4.98 120.40 114.87 1ul4 s VAL 56 Ca -0.10 0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.05 1ul4 s VAL 56 Cb 0.17 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 1ul4 s VAL 56 CO 0.76 -0.00 1.03 -1.81 0.00 0.00 0.00 175.10 175.08 1ul4 s ASP 57 N 2.77 6.09 -1.78 3.32 1.01 -1.26 -3.74 116.67 123.07 1ul4 s ASP 57 Ca 0.78 1.47 0.00 0.00 0.71 0.00 0.00 52.55 55.51 1ul4 s ASP 57 Cb -0.42 -2.48 0.00 0.00 1.01 0.00 0.00 42.92 41.03 1ul4 s ASP 57 CO 0.35 -0.97 0.00 0.54 0.21 0.00 0.00 175.17 175.30 1ul4 n ARG 58 N -2.75 -1.27 -3.00 8.23 3.00 -1.26 -4.96 116.66 114.65 1ul4 n ARG 58 Ca 0.06 1.05 -0.40 0.00 -0.01 0.00 0.00 57.85 58.56 1ul4 n ARG 58 Cb 0.54 -5.36 -0.05 0.00 0.00 0.00 0.00 32.46 27.59 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 3.16 2.13 -3.30 0.00 -2.24 -1.26 -5.04 114.28 107.74 1ul4 n THR 60 Ca -0.02 -3.08 -0.38 0.00 -2.27 0.00 0.00 64.05 58.30 1ul4 n THR 60 Cb 0.51 -0.22 -0.06 0.00 -2.10 0.00 0.00 70.33 68.45 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 -3.14 3.56 -0.27 6.98 0.00 -1.26 -5.06 121.76 122.57 1ul4 s ALA 61 Ca 0.37 -0.04 -0.14 0.00 0.00 0.00 0.00 51.96 52.15 1ul4 s ALA 61 Cb 0.36 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 1ul4 s ALA 61 CO -0.06 0.29 0.34 0.34 0.00 0.00 0.00 175.76 176.67 1ul4 s ASP 62 N -0.61 6.22 -0.51 0.00 -1.08 -1.26 -4.93 116.67 114.49 1ul4 s ASP 62 Ca 0.28 0.24 0.02 0.00 -0.52 0.00 0.00 52.55 52.58 1ul4 s ASP 62 Cb -0.18 -2.19 0.48 0.00 -1.46 0.00 0.00 42.92 39.56 1ul4 s ASP 62 CO 0.16 -0.15 1.75 0.23 0.52 0.00 0.00 175.17 177.68 1ul4 n MET 63 N 5.23 2.82 -0.03 4.34 2.81 -1.26 -4.67 117.12 126.34 1ul4 n MET 63 Ca -0.10 -3.49 0.05 0.00 -1.81 0.00 0.00 57.70 52.35 1ul4 n MET 63 Cb 0.51 -2.23 0.42 0.00 -0.71 0.00 0.00 33.22 31.20 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 1.86 0.57 -2.55 0.03 1.63 -1.93 -3.31 116.57 112.87 1ul4 h LYS 64 Ca 0.51 -0.03 -0.60 0.00 -0.85 0.00 0.00 60.65 59.68 1ul4 h LYS 64 Cb 1.28 -0.13 -0.39 0.00 -0.60 0.00 0.00 32.23 32.39 1ul4 h LYS 64 CO 1.21 0.38 -0.86 0.39 -3.45 0.00 0.00 179.45 177.12 1ul4 n GLU 65 N -4.47 0.73 -4.29 1.90 1.02 -1.26 -4.99 120.64 109.28 1ul4 n GLU 65 Ca 0.05 -3.59 -0.25 0.00 -0.02 0.00 0.00 57.16 53.34 1ul4 n GLU 65 Cb 0.10 -1.84 -0.08 0.00 -0.02 0.00 0.00 31.44 29.59 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 -0.49 3.42 0.65 0.62 0.00 -1.25 -5.14 121.76 119.57 1ul4 s ALA 66 Ca 0.31 -2.14 -0.07 0.00 0.00 0.00 0.00 51.96 50.06 1ul4 s ALA 66 Cb 0.02 -0.24 0.03 0.00 0.00 0.00 0.00 23.12 22.93 1ul4 s ALA 66 CO -0.18 -0.12 0.98 0.15 0.00 0.00 0.00 175.76 176.59 1ul4 s LYS 67 N -3.83 2.66 0.49 0.00 1.02 -1.26 -4.83 119.74 114.00 1ul4 s LYS 67 Ca 0.39 0.02 0.33 0.00 0.02 0.00 0.00 55.97 56.73 1ul4 s LYS 67 Cb 0.05 -2.18 1.62 0.00 -0.52 0.00 0.00 37.83 36.79 1ul4 s LYS 67 CO 0.21 -0.95 2.00 1.25 -0.92 0.00 0.00 175.35 176.94 1ul4 h LEU 68 N -0.42 0.00 -0.01 3.17 5.85 -2.01 0.18 115.31 122.07 1ul4 h LEU 68 Ca -0.45 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.08 1ul4 h LEU 68 Cb 1.28 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.28 1ul4 h LEU 68 CO 0.61 0.00 -0.88 0.22 -0.34 0.00 0.00 178.44 178.05 1ul4 h TYR 69 N 0.00 0.00 0.00 1.25 5.03 -1.99 -2.12 116.97 119.14 1ul4 h TYR 69 Ca 0.00 0.00 -0.31 0.00 2.58 0.00 0.00 58.73 61.00 1ul4 h TYR 69 Cb 0.21 0.00 -0.06 0.00 1.55 0.00 0.00 36.73 38.44 1ul4 h TYR 69 CO 0.00 0.88 -2.17 0.72 -1.32 0.00 0.00 178.16 176.27 1ul4 n HIS 70 N -3.33 0.24 0.07 -3.82 8.25 -0.72 -3.66 115.22 112.26 1ul4 n HIS 70 Ca 0.00 0.09 -0.09 0.00 -0.26 0.00 0.00 57.72 57.46 1ul4 n HIS 70 Cb 0.89 -1.00 -0.12 0.00 1.12 0.00 0.00 29.99 30.88 1ul4 n HIS 70 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ul4 h ARG 71 N 0.00 0.07 0.03 -0.41 3.08 -0.78 -0.46 114.38 115.91 1ul4 h ARG 71 Ca -0.43 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 59.51 1ul4 h ARG 71 Cb 2.06 0.04 0.00 0.00 0.08 0.00 0.00 29.97 32.15 1ul4 h ARG 71 CO 0.04 1.05 -0.01 -0.09 -1.07 0.00 0.00 179.97 179.88 1ul4 h ARG 72 N 0.02 -0.04 0.00 0.04 2.43 -1.57 -3.22 114.38 112.03 1ul4 h ARG 72 Ca -0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1ul4 h ARG 72 Cb 1.82 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.38 1ul4 h ARG 72 CO 0.15 0.64 0.00 0.72 -1.51 0.00 0.00 179.97 179.97 1ul4 n HIS 73 N -4.76 0.00 -3.27 2.20 8.25 -1.24 -4.90 115.22 111.50 1ul4 n HIS 73 Ca -0.09 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.21 1ul4 n HIS 73 Cb 0.34 -0.43 0.07 0.00 1.12 0.00 0.00 29.99 31.09 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 -1.43 -5.95 -4.16 -0.41 5.02 -0.97 -4.96 118.16 105.30 1ul4 n LYS 74 Ca 0.06 0.71 -0.11 0.00 -2.02 0.00 0.00 58.31 56.95 1ul4 n LYS 74 Cb 0.20 -5.33 -0.10 0.00 -0.02 0.00 0.00 35.03 29.79 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 -3.29 0.69 0.11 -0.18 0.11 -0.22 -3.68 120.40 113.95 1ul4 s VAL 75 Ca 0.17 -1.83 -0.05 0.00 -2.93 0.00 0.00 61.98 57.34 1ul4 s VAL 75 Cb -0.08 -1.56 -0.05 0.00 -1.53 0.00 0.00 36.38 33.16 1ul4 s VAL 75 CO 0.61 -0.81 0.35 0.00 -3.33 0.00 0.00 175.10 171.92 1ul4 h GLU 77 N 3.05 0.35 -0.01 0.00 4.22 -1.99 0.36 114.58 120.57 1ul4 h GLU 77 Ca -0.47 -0.03 -0.19 0.00 0.08 0.00 0.00 59.36 58.76 1ul4 h GLU 77 Cb 1.17 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1ul4 h GLU 77 CO 0.72 0.27 -0.83 0.28 -2.18 0.00 0.00 179.01 177.26 1ul4 h VAL 78 N 0.35 1.49 0.00 0.32 2.07 -1.94 -3.20 116.25 115.34 1ul4 h VAL 78 Ca 0.09 -2.54 -0.19 0.00 0.82 0.00 0.00 66.70 64.89 1ul4 h VAL 78 Cb 0.03 2.40 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 1ul4 h VAL 78 CO -0.01 0.74 -0.96 0.45 0.02 0.00 0.00 177.57 177.80 1ul4 h HIS 79 N 0.11 0.00 -0.82 1.57 3.86 -1.68 -2.27 115.15 115.92 1ul4 h HIS 79 Ca -0.04 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 1ul4 h HIS 79 Cb 1.44 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.87 1ul4 h HIS 79 CO 0.03 0.85 0.42 0.00 0.86 0.00 0.00 177.93 180.09 1ul4 h ALA 80 N 1.15 1.05 -1.07 2.45 0.00 -0.32 -3.21 119.26 119.31 1ul4 h ALA 80 Ca -0.04 -0.14 -0.49 0.00 0.00 0.00 0.00 54.91 54.23 1ul4 h ALA 80 Cb 1.69 -0.32 -0.42 0.00 0.00 0.00 0.00 17.79 18.74 1ul4 h ALA 80 CO 0.10 0.58 -0.89 1.17 0.00 0.00 0.00 179.25 180.22 1ul4 n LYS 81 N -4.37 2.84 -2.47 0.00 3.00 -1.21 -4.64 118.16 111.30 1ul4 n LYS 81 Ca 0.08 -4.05 -0.24 0.00 -0.00 0.00 0.00 58.31 54.09 1ul4 n LYS 81 Cb 0.11 -1.99 0.10 0.00 0.00 0.00 0.00 35.03 33.26 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 -3.51 3.50 -1.13 3.14 0.00 -0.86 -4.99 121.76 117.92 1ul4 s ALA 82 Ca 0.42 -1.53 -0.07 0.00 0.00 0.00 0.00 51.96 50.79 1ul4 s ALA 82 Cb 0.40 -2.17 0.27 0.00 0.00 0.00 0.00 23.12 21.63 1ul4 s ALA 82 CO -0.06 -1.46 1.44 0.43 0.00 0.00 0.00 175.76 176.10 1ul4 n SER 83 N -2.89 5.93 -2.18 0.00 7.64 -1.26 -4.85 113.62 116.01 1ul4 n SER 83 Ca 0.13 -3.24 -0.00 0.00 1.01 0.00 0.00 58.87 56.77 1ul4 n SER 83 Cb 0.60 -1.35 -0.00 0.00 -1.01 0.00 0.00 64.21 62.45 1ul4 n SER 83 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ul4 n SER 84 N 2.32 -8.25 -4.91 6.43 3.41 -1.26 -5.01 113.62 106.35 1ul4 n SER 84 Ca 0.28 1.60 -0.27 0.00 -0.26 0.00 0.00 58.87 60.22 1ul4 n SER 84 Cb 0.36 -4.65 -0.02 0.00 -0.26 0.00 0.00 64.21 59.64 1ul4 n SER 84 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ul4 s VAL 85 N -0.52 4.99 -0.94 -3.33 1.01 -0.87 -4.87 120.40 115.86 1ul4 s VAL 85 Ca -0.01 0.01 -0.18 0.00 0.00 0.00 0.00 61.98 61.81 1ul4 s VAL 85 Cb 0.00 -3.81 0.14 0.00 0.00 0.00 0.00 36.38 32.72 1ul4 s VAL 85 CO 0.03 -0.56 1.11 0.12 0.00 0.00 0.00 175.10 175.80 1ul4 s PHE 86 N -2.36 3.22 -0.18 5.22 5.36 -1.26 -2.03 117.98 125.95 1ul4 s PHE 86 Ca 0.45 -1.51 -0.03 0.00 -0.96 0.00 0.00 56.93 54.87 1ul4 s PHE 86 Cb -0.10 -4.23 -0.01 0.00 -0.34 0.00 0.00 43.02 38.34 1ul4 s PHE 86 CO 0.36 -1.42 -0.07 -1.17 -1.46 0.00 0.00 175.22 171.46 1ul4 s LEU 87 N 2.30 2.91 -2.18 6.12 2.96 -0.94 -4.53 118.68 125.32 1ul4 s LEU 87 Ca 0.32 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.90 1ul4 s LEU 87 Cb -0.05 -1.71 0.00 0.00 0.50 0.00 0.00 46.19 44.93 1ul4 s LEU 87 CO -0.09 0.07 0.00 -0.24 -1.32 0.00 0.00 176.35 174.77 1ul4 n SER 88 N 4.19 -5.45 0.00 3.68 2.88 -1.26 -2.05 113.62 115.62 1ul4 n SER 88 Ca -0.18 0.49 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 1ul4 n SER 88 Cb 0.52 -4.80 0.00 0.00 -0.75 0.00 0.00 64.21 59.17 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 -0.40 2.49 3.90 0.46 0.00 -1.26 -5.01 105.19 105.37 1ul4 n GLY 89 Ca -0.21 -0.49 -0.28 0.00 0.00 0.00 0.00 46.02 45.04 1ul4 n GLY 89 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ul4 s LEU 90 N 0.00 2.78 -0.39 0.99 2.34 -0.87 -4.99 118.68 118.55 1ul4 s LEU 90 Ca 0.00 0.80 -0.23 0.00 0.06 0.00 0.00 54.13 54.76 1ul4 s LEU 90 Cb 0.00 -3.45 0.01 0.00 -0.56 0.00 0.00 46.19 42.19 1ul4 s LEU 90 CO 0.00 -1.57 0.77 0.20 -1.06 0.00 0.00 176.35 174.70 1ul4 s ASN 91 N -4.47 6.50 -0.13 1.48 0.01 -1.26 -2.22 114.94 114.86 1ul4 s ASN 91 Ca 0.59 0.21 0.02 0.00 -0.71 0.00 0.00 52.86 52.97 1ul4 s ASN 91 Cb -0.11 -2.39 0.02 0.00 0.41 0.00 0.00 41.25 39.18 1ul4 s ASN 91 CO 0.48 -0.77 -0.17 -1.10 -1.51 0.00 0.00 177.10 174.03 1ul4 s GLN 92 N 3.13 2.50 0.44 -0.60 -0.21 -0.86 -1.41 119.66 122.65 1ul4 s GLN 92 Ca 0.30 -0.66 0.08 0.00 0.02 0.00 0.00 55.36 55.10 1ul4 s GLN 92 Cb -0.13 -2.12 0.00 0.00 1.00 0.00 0.00 33.01 31.76 1ul4 s GLN 92 CO 0.18 -0.10 0.46 0.50 -2.12 0.00 0.00 175.29 174.22 1ul4 s ARG 93 N 1.07 2.55 0.42 2.91 3.52 -0.60 -2.06 118.95 126.75 1ul4 s ARG 93 Ca -0.03 -1.53 -0.06 0.00 -0.13 0.00 0.00 55.73 53.98 1ul4 s ARG 93 Cb -0.14 -2.45 -0.04 0.00 -1.56 0.00 0.00 34.95 30.75 1ul4 s ARG 93 CO -0.04 -0.31 0.72 0.12 -0.81 0.00 0.00 175.30 174.97 1ul4 s PHE 94 N -2.49 3.52 -0.37 5.12 5.36 -1.26 -2.08 117.98 125.78 1ul4 s PHE 94 Ca 0.49 0.78 0.01 0.00 -0.96 0.00 0.00 56.93 57.25 1ul4 s PHE 94 Cb -0.05 -2.25 0.12 0.00 -0.34 0.00 0.00 43.02 40.50 1ul4 s PHE 94 CO 0.29 -0.12 0.17 0.00 -1.46 0.00 0.00 175.22 174.10 1ul4 h GLN 96 N 7.37 0.00 0.40 0.00 5.75 -1.88 1.14 115.11 127.89 1ul4 h GLN 96 Ca -0.06 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.42 1ul4 h GLN 96 Cb 0.97 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.52 1ul4 h GLN 96 CO 0.45 0.00 -0.20 1.96 -2.65 0.00 0.00 178.83 178.39 1ul4 h GLN 97 N 0.00 -0.54 -0.01 1.69 4.20 -1.95 -3.25 115.11 115.26 1ul4 h GLN 97 Ca 0.07 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1ul4 h GLN 97 Cb 0.57 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.48 1ul4 h GLN 97 CO -0.00 -0.36 -0.34 0.00 -0.67 0.00 0.00 178.83 177.46 1ul4 n SER 99 N -0.12 0.00 -2.33 0.00 2.88 0.39 -4.96 113.62 109.48 1ul4 n SER 99 Ca 0.07 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.58 1ul4 n SER 99 Cb 0.34 -1.25 0.01 0.00 -0.75 0.00 0.00 64.21 62.57 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 0.58 -4.41 -1.46 5.12 -1.22 -4.82 116.66 108.45 1ul4 n ARG 100 Ca 0.00 -0.35 -0.34 0.00 -1.93 0.00 0.00 57.85 55.23 1ul4 n ARG 100 Cb 0.00 -0.08 -0.13 0.00 -1.16 0.00 0.00 32.46 31.10 1ul4 n ARG 100 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1ul4 s PHE 101 N -0.09 2.98 0.06 -1.55 0.08 -1.26 -2.14 117.98 116.07 1ul4 s PHE 101 Ca 0.08 -0.41 0.07 0.00 0.12 0.00 0.00 56.93 56.79 1ul4 s PHE 101 Cb -0.00 -1.96 -0.03 0.00 -0.57 0.00 0.00 43.02 40.46 1ul4 s PHE 101 CO 0.06 -0.11 -0.18 -1.01 -0.10 0.00 0.00 175.22 173.88 1ul4 s HIS 102 N 0.47 1.54 1.03 0.36 3.76 -0.88 -4.99 115.29 116.58 1ul4 s HIS 102 Ca -0.04 -0.40 -0.12 0.00 -0.15 0.00 0.00 55.06 54.35 1ul4 s HIS 102 Cb -0.15 -0.89 0.20 0.00 1.11 0.00 0.00 32.58 32.86 1ul4 s HIS 102 CO 0.03 0.10 1.07 0.34 -0.85 0.00 0.00 174.74 175.44 1ul4 s ASP 103 N -1.49 2.22 0.22 1.40 2.15 -1.26 -1.56 116.67 118.34 1ul4 s ASP 103 Ca 0.04 1.57 0.05 0.00 0.43 0.00 0.00 52.55 54.65 1ul4 s ASP 103 Cb -0.09 -2.25 0.18 0.00 -0.30 0.00 0.00 42.92 40.46 1ul4 s ASP 103 CO 0.02 -3.44 1.50 0.25 -0.17 0.00 0.00 175.17 173.34 1ul4 h LEU 104 N -2.10 0.18 -2.40 -1.34 5.85 -1.60 -3.03 115.31 110.87 1ul4 h LEU 104 Ca -0.54 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.05 1ul4 h LEU 104 Cb 1.31 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 1ul4 h LEU 104 CO 0.51 0.83 -0.01 1.56 -0.34 0.00 0.00 178.44 180.99 1ul4 h GLN 105 N 0.10 0.00 0.02 1.25 4.20 -1.92 -1.18 115.11 117.58 1ul4 h GLN 105 Ca -0.02 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.47 1ul4 h GLN 105 Cb 1.26 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.01 1ul4 h GLN 105 CO 0.10 0.01 -1.03 0.93 -0.67 0.00 0.00 178.83 178.17 1ul4 h GLU 106 N 0.00 0.05 -6.93 1.46 5.08 -1.90 -3.45 114.58 108.89 1ul4 h GLU 106 Ca -0.00 -0.08 -0.46 0.00 -1.00 0.00 0.00 59.36 57.82 1ul4 h GLU 106 Cb 0.02 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1ul4 h GLU 106 CO 0.00 1.03 0.25 -0.06 -1.00 0.00 0.00 179.01 179.23 1ul4 s PHE 107 N -2.73 3.36 0.28 4.33 0.08 -0.45 -4.51 117.98 118.34 1ul4 s PHE 107 Ca 0.00 1.48 -0.20 0.00 0.12 0.00 0.00 56.93 58.33 1ul4 s PHE 107 Cb 0.10 -2.74 0.05 0.00 -0.57 0.00 0.00 43.02 39.86 1ul4 s PHE 107 CO 0.83 -0.01 0.85 0.34 -0.10 0.00 0.00 175.22 177.13 1ul4 s ASP 108 N -2.17 -0.09 0.39 1.36 2.15 -1.26 -4.96 116.67 112.09 1ul4 s ASP 108 Ca 0.58 -0.78 0.00 0.00 0.43 0.00 0.00 52.55 52.78 1ul4 s ASP 108 Cb -0.10 0.68 0.00 0.00 -0.30 0.00 0.00 42.92 43.20 1ul4 s ASP 108 CO 0.15 -1.32 0.00 -0.62 -0.17 0.00 0.00 175.17 173.21 1ul4 n GLU 109 N -0.54 -2.98 0.17 4.34 1.02 -1.26 -4.00 120.64 117.40 1ul4 n GLU 109 Ca -0.06 2.07 0.08 0.00 -0.02 0.00 0.00 57.16 59.23 1ul4 n GLU 109 Cb 0.60 -3.60 0.58 0.00 -0.02 0.00 0.00 31.44 29.00 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 -1.35 1.95 -2.23 0.62 0.00 -2.02 -3.41 119.26 112.82 1ul4 h ALA 110 Ca -0.02 -0.01 -0.56 0.00 0.00 0.00 0.00 54.91 54.33 1ul4 h ALA 110 Cb 1.32 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 1ul4 h ALA 110 CO 0.02 0.03 0.67 0.15 0.00 0.00 0.00 179.25 180.13 1ul4 s LYS 111 N -5.19 4.36 -0.77 0.00 1.02 -1.26 -4.94 119.74 112.97 1ul4 s LYS 111 Ca -0.06 1.48 -0.03 0.00 0.02 0.00 0.00 55.97 57.38 1ul4 s LYS 111 Cb 0.17 -3.58 0.16 0.00 -0.52 0.00 0.00 37.83 34.06 1ul4 s LYS 111 CO 0.69 -0.44 2.44 2.89 -0.92 0.00 0.00 175.35 180.02 1ul4 n ARG 112 N 5.42 3.22 -4.56 1.68 0.00 -1.26 -4.28 116.66 116.87 1ul4 n ARG 112 Ca 0.10 -3.06 -0.27 0.00 -0.00 0.00 0.00 57.85 54.63 1ul4 n ARG 112 Cb 0.47 -2.30 -0.09 0.00 -0.00 0.00 0.00 32.46 30.54 1ul4 n ARG 112 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1ul4 s SER 113 N -0.13 3.08 0.96 2.89 0.01 -1.26 -4.85 113.70 114.41 1ul4 s SER 113 Ca 0.54 -1.58 -0.12 0.00 1.31 0.00 0.00 55.95 56.11 1ul4 s SER 113 Cb 0.34 0.30 0.10 0.00 0.21 0.00 0.00 66.02 66.97 1ul4 s SER 113 CO -0.23 -0.80 0.73 0.00 0.41 0.00 0.00 173.24 173.34 1ul4 h ARG 115 N -1.81 0.00 -6.61 0.00 -0.00 -1.99 -3.40 114.38 100.56 1ul4 h ARG 115 Ca -0.45 0.00 -0.53 0.00 -0.00 0.00 0.00 59.98 59.00 1ul4 h ARG 115 Cb 1.29 0.00 0.03 0.00 -0.00 0.00 0.00 29.97 31.28 1ul4 h ARG 115 CO 0.38 0.73 0.67 0.50 -0.00 0.00 0.00 179.97 182.25 1ul4 s ARG 116 N -2.66 4.36 0.00 0.08 3.52 -1.26 -1.75 118.95 121.24 1ul4 s ARG 116 Ca -0.02 2.04 0.00 0.00 -0.13 0.00 0.00 55.73 57.62 1ul4 s ARG 116 Cb 0.09 -3.23 0.00 0.00 -1.56 0.00 0.00 34.95 30.25 1ul4 s ARG 116 CO 0.82 -0.33 0.00 -2.13 -0.81 0.00 0.00 175.30 172.86 1ul4 n ARG 117 N 3.24 0.00 0.13 5.12 0.63 -1.26 -4.54 116.66 119.98 1ul4 n ARG 117 Ca 0.08 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.86 1ul4 n ARG 117 Cb 0.43 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.25 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 -1.37 0.62 6.15 5.85 -1.77 -3.17 115.31 121.63 1ul4 h LEU 118 Ca 0.00 0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1ul4 h LEU 118 Cb 0.00 0.50 0.01 0.00 0.37 0.00 0.00 40.66 41.54 1ul4 h LEU 118 CO 0.00 -0.53 -0.30 0.00 -0.34 0.00 0.00 178.44 177.27 1ul4 h ALA 119 N -0.34 -0.83 0.00 1.25 0.00 -1.56 -3.50 119.26 114.28 1ul4 h ALA 119 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ul4 h ALA 119 Cb 0.72 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1ul4 h ALA 119 CO -0.25 -0.83 0.00 0.41 0.00 0.00 0.00 179.25 178.58 1ul4 n GLY 120 N -0.66 1.40 0.09 0.00 0.00 -1.20 -4.99 105.19 99.83 1ul4 n GLY 120 Ca -0.12 -0.92 -0.03 0.00 0.00 0.00 0.00 46.02 44.95 1ul4 n GLY 120 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1ul4 h HIS 121 N 0.00 0.00 -2.98 1.61 3.86 -1.89 -3.50 115.15 112.25 1ul4 h HIS 121 Ca 0.00 0.00 0.19 0.00 -1.16 0.00 0.00 60.37 59.40 1ul4 h HIS 121 Cb 0.00 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 28.36 1ul4 h HIS 121 CO 0.00 0.79 -0.98 -1.71 0.86 0.00 0.00 177.93 176.89 1ul4 n ASN 122 N -3.33 -6.68 0.00 2.45 5.15 -1.26 -4.79 115.26 106.80 1ul4 n ASN 122 Ca 0.01 1.34 0.00 0.00 -0.60 0.00 0.00 54.58 55.32 1ul4 n ASN 122 Cb 0.84 -4.11 0.00 0.00 -0.53 0.00 0.00 39.78 35.98 1ul4 n ASN 122 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1ul4 n GLU 123 N -3.44 0.00 -1.45 1.20 -0.58 -1.26 -5.00 120.64 110.10 1ul4 n GLU 123 Ca -0.05 0.42 0.20 0.00 -0.42 0.00 0.00 57.16 57.30 1ul4 n GLU 123 Cb 0.52 -1.33 -0.05 0.00 -0.57 0.00 0.00 31.44 30.01 1ul4 n GLU 123 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1ul4 n ARG 124 N -1.75 -2.93 -4.27 3.49 5.12 -1.26 -4.95 116.66 110.11 1ul4 n ARG 124 Ca 0.00 1.93 -0.16 0.00 -1.93 0.00 0.00 57.85 57.69 1ul4 n ARG 124 Cb 0.00 -3.57 -0.10 0.00 -1.16 0.00 0.00 32.46 27.63 1ul4 n ARG 124 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1ul4 s ARG 125 N -2.23 1.11 0.13 5.56 0.52 -1.26 -5.07 118.95 117.70 1ul4 s ARG 125 Ca 0.00 -1.44 0.00 0.00 -0.52 0.00 0.00 55.73 53.77 1ul4 s ARG 125 Cb 0.00 -0.77 0.00 0.00 0.52 0.00 0.00 34.95 34.70 1ul4 s ARG 125 CO 0.00 0.11 0.00 -2.13 0.02 0.00 0.00 175.30 173.30 1ul4 n ARG 126 N -0.10 0.00 -4.04 3.54 0.63 -1.26 -5.12 116.66 110.32 1ul4 n ARG 126 Ca -0.11 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.59 1ul4 n ARG 126 Cb 0.60 -0.23 -0.06 0.00 0.45 0.00 0.00 32.46 33.22 1ul4 n ARG 126 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1ul4 s LYS 127 N -2.00 2.41 0.23 -0.14 1.02 -1.26 -5.14 119.74 114.86 1ul4 s LYS 127 Ca 0.00 -1.54 0.09 0.00 0.02 0.00 0.00 55.97 54.54 1ul4 s LYS 127 Cb 0.00 -2.20 -0.04 0.00 -0.52 0.00 0.00 37.83 35.06 1ul4 s LYS 127 CO 0.00 0.07 -0.03 -1.12 -0.92 0.00 0.00 175.35 173.35 1ul4 s SER 128 N -3.88 4.49 0.09 2.83 0.01 -1.26 -5.12 113.70 110.86 1ul4 s SER 128 Ca 0.39 -0.60 -0.20 0.00 1.31 0.00 0.00 55.95 56.84 1ul4 s SER 128 Cb -0.02 -0.83 -0.07 0.00 0.21 0.00 0.00 66.02 65.31 1ul4 s SER 128 CO 0.23 0.04 0.61 -0.44 0.41 0.00 0.00 173.24 174.09 1ul4 s SER 129 N -3.36 7.13 0.00 2.44 0.01 -1.26 -4.97 113.70 113.68 1ul4 s SER 129 Ca 0.29 1.33 0.00 0.00 1.31 0.00 0.00 55.95 58.89 1ul4 s SER 129 Cb -0.07 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.77 1ul4 s SER 129 CO 0.18 0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.71 1ul4 n GLY 130 N 1.70 1.07 0.00 3.44 0.00 -1.26 -5.33 105.19 104.81 1ul4 n GLY 130 Ca -0.09 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1ul4 n GLY 130 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50