#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5z n ASN 7 N 0.00 0.15 -0.86 6.55 5.03 -1.26 -3.38 115.26 121.50 1s5z n ASN 7 Ca 0.00 -1.81 0.08 0.00 0.87 0.00 0.00 54.58 53.72 1s5z n ASN 7 Cb 0.00 -0.02 0.17 0.00 -1.02 0.00 0.00 39.78 38.92 1s5z n ASN 7 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1s5z n LYS 8 N -0.51 2.31 -1.64 3.52 5.02 -1.26 -3.68 118.16 121.93 1s5z n LYS 8 Ca 0.05 -2.04 -0.38 0.00 -2.02 0.00 0.00 58.31 53.92 1s5z n LYS 8 Cb 0.05 -1.37 0.05 0.00 -0.02 0.00 0.00 35.03 33.74 1s5z n LYS 8 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1s5z n GLU 9 N 0.98 1.00 -4.10 1.97 2.13 -1.22 -4.64 120.64 116.77 1s5z n GLU 9 Ca 0.15 0.39 -0.12 0.00 0.66 0.00 0.00 57.16 58.23 1s5z n GLU 9 Cb 0.48 -2.24 -0.11 0.00 0.27 0.00 0.00 31.44 29.84 1s5z n GLU 9 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1s5z s ARG 10 N -2.81 0.64 0.03 5.31 0.52 -1.26 -0.72 118.95 120.66 1s5z s ARG 10 Ca 0.76 -0.96 -0.00 0.00 -0.52 0.00 0.00 55.73 55.01 1s5z s ARG 10 Cb -0.42 -0.29 -0.02 0.00 0.52 0.00 0.00 34.95 34.74 1s5z s ARG 10 CO 0.47 0.03 -0.03 -0.08 0.02 0.00 0.00 175.30 175.71 1s5z s THR 11 N -2.11 0.14 -0.17 0.02 -1.32 -0.60 -4.71 115.64 106.89 1s5z s THR 11 Ca -0.03 -1.14 -0.12 0.00 -1.21 0.00 0.00 61.69 59.19 1s5z s THR 11 Cb -0.05 -0.59 -0.05 0.00 -1.51 0.00 0.00 72.50 70.30 1s5z s THR 11 CO -0.01 -0.63 0.23 0.12 -2.21 0.00 0.00 174.62 172.12 1s5z s PHE 12 N -2.10 3.46 -0.03 9.09 5.36 -1.26 -2.21 117.98 130.29 1s5z s PHE 12 Ca -0.10 0.51 0.04 0.00 -0.96 0.00 0.00 56.93 56.43 1s5z s PHE 12 Cb -0.05 -2.26 -0.01 0.00 -0.34 0.00 0.00 43.02 40.36 1s5z s PHE 12 CO -0.03 0.29 -0.16 -0.51 -1.46 0.00 0.00 175.22 173.34 1s5z s LEU 13 N 0.33 1.96 -0.08 6.12 1.43 0.26 -2.03 118.68 126.67 1s5z s LEU 13 Ca 0.14 -0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 52.92 1s5z s LEU 13 Cb -0.12 -0.87 0.03 0.00 0.03 0.00 0.00 46.19 45.25 1s5z s LEU 13 CO 0.02 0.17 -0.03 0.00 0.23 0.00 0.00 176.35 176.74 1s5z s ALA 14 N -0.15 0.88 -0.57 4.21 0.00 -0.15 -0.32 121.76 125.65 1s5z s ALA 14 Ca 0.01 -0.23 -0.26 0.00 0.00 0.00 0.00 51.96 51.48 1s5z s ALA 14 Cb -0.09 -0.73 0.04 0.00 0.00 0.00 0.00 23.12 22.35 1s5z s ALA 14 CO 0.01 -0.35 1.05 0.08 0.00 0.00 0.00 175.76 176.55 1s5z s VAL 15 N 1.67 4.22 0.95 0.00 1.01 -0.40 -1.14 120.40 126.70 1s5z s VAL 15 Ca 0.01 0.50 -0.11 0.00 0.00 0.00 0.00 61.98 62.38 1s5z s VAL 15 Cb -0.13 -4.63 0.16 0.00 0.00 0.00 0.00 36.38 31.78 1s5z s VAL 15 CO -0.05 -1.24 1.09 -0.54 0.00 0.00 0.00 175.10 174.36 1s5z s LYS 16 N 4.41 0.79 0.37 2.72 1.02 -0.51 -2.19 119.74 126.34 1s5z s LYS 16 Ca 0.35 0.99 0.21 0.00 0.02 0.00 0.00 55.97 57.53 1s5z s LYS 16 Cb -0.11 -1.74 1.33 0.00 -0.52 0.00 0.00 37.83 36.80 1s5z s LYS 16 CO 0.21 -2.61 1.59 -1.35 -0.92 0.00 0.00 175.35 172.27 1s5z h PRO 17 N -1.83 0.02 -0.41 -1.68 0.11 -1.84 0.18 132.00 126.55 1s5z h PRO 17 Ca -0.50 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.47 1s5z h PRO 17 Cb 1.29 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1s5z h PRO 17 CO 0.51 0.01 -0.26 0.38 -0.21 0.00 0.00 178.00 178.43 1s5z h ASP 18 N 0.02 0.95 -0.43 -2.05 2.03 -1.88 -1.01 116.42 114.05 1s5z h ASP 18 Ca 0.84 -0.43 -0.03 0.00 -0.73 0.00 0.00 57.03 56.69 1s5z h ASP 18 Cb 2.21 -0.26 -0.02 0.00 -0.83 0.00 0.00 39.33 40.43 1s5z h ASP 18 CO -0.76 1.17 0.15 1.23 -1.03 0.00 0.00 179.24 180.00 1s5z h GLY 19 N 0.73 0.70 0.91 7.15 0.00 -0.81 -1.45 103.07 110.30 1s5z h GLY 19 Ca 0.08 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 1s5z h GLY 19 CO 0.07 0.37 0.09 -2.08 0.00 0.00 0.00 176.54 175.00 1s5z h VAL 20 N 0.54 1.22 -0.37 4.60 2.07 -1.34 -1.82 116.25 121.15 1s5z h VAL 20 Ca 0.14 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 1s5z h VAL 20 Cb 0.23 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1s5z h VAL 20 CO -0.01 0.25 0.16 0.00 0.02 0.00 0.00 177.57 177.99 1s5z h ALA 21 N 0.93 1.59 -0.28 1.67 0.00 -1.05 -1.88 119.26 120.24 1s5z h ALA 21 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1s5z h ALA 21 Cb 0.29 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1s5z h ALA 21 CO 0.00 0.33 0.00 0.54 0.00 0.00 0.00 179.25 180.12 1s5z n ARG 22 N -4.40 1.69 -3.43 0.00 1.74 -0.56 -4.93 116.66 106.77 1s5z n ARG 22 Ca 0.02 -1.02 -0.19 0.00 -0.77 0.00 0.00 57.85 55.89 1s5z n ARG 22 Cb 0.13 -1.25 0.08 0.00 -1.02 0.00 0.00 32.46 30.40 1s5z n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s5z n GLY 23 N 0.91 -0.38 0.82 -0.13 0.00 -0.71 -4.94 105.19 100.77 1s5z n GLY 23 Ca 0.09 0.13 0.07 0.00 0.00 0.00 0.00 46.02 46.32 1s5z n GLY 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s5z n LEU 24 N -4.34 3.18 0.35 0.99 4.77 -0.70 -4.71 117.00 116.54 1s5z n LEU 24 Ca -0.11 -1.98 -0.18 0.00 -0.03 0.00 0.00 56.01 53.72 1s5z n LEU 24 Cb 0.60 -0.29 -0.09 0.00 -2.33 0.00 0.00 43.42 41.31 1s5z n LEU 24 CO 0.59 0.79 0.65 0.58 -1.33 0.00 0.00 177.39 178.67 1s5z h VAL 25 N 2.63 0.33 -0.79 4.08 2.07 -1.88 -1.91 116.25 120.79 1s5z h VAL 25 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1s5z h VAL 25 Cb 0.80 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 1s5z h VAL 25 CO 0.00 0.00 0.46 1.23 0.02 0.00 0.00 177.57 179.28 1s5z h GLY 26 N -0.88 1.16 0.78 2.17 0.00 -1.98 -0.97 103.07 103.36 1s5z h GLY 26 Ca -0.08 -0.50 0.04 0.00 0.00 0.00 0.00 47.33 46.79 1s5z h GLY 26 CO 0.12 0.48 0.30 -2.09 0.00 0.00 0.00 176.54 175.35 1s5z h GLU 27 N 1.09 0.57 -0.15 4.80 4.57 -1.85 0.22 114.58 123.82 1s5z h GLU 27 Ca 0.28 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.37 1s5z h GLU 27 Cb -0.02 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.44 1s5z h GLU 27 CO -0.05 0.37 -0.15 0.82 -1.18 0.00 0.00 179.01 178.83 1s5z h ILE 28 N 0.58 1.34 -0.47 2.32 2.04 -1.07 -2.56 117.51 119.69 1s5z h ILE 28 Ca 0.23 -1.29 0.05 0.00 1.00 0.00 0.00 64.86 64.84 1s5z h ILE 28 Cb 0.10 1.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 1s5z h ILE 28 CO -0.14 0.38 0.22 0.40 0.00 0.00 0.00 178.15 179.01 1s5z h ILE 29 N 0.01 0.93 -0.70 -0.67 1.08 -0.99 -2.21 117.51 114.97 1s5z h ILE 29 Ca 0.03 -0.15 -0.01 0.00 -0.39 0.00 0.00 64.86 64.34 1s5z h ILE 29 Cb 0.67 0.46 -0.03 0.00 -3.07 0.00 0.00 36.82 34.85 1s5z h ILE 29 CO 0.04 0.08 0.41 0.00 -0.69 0.00 0.00 178.15 177.98 1s5z h ALA 30 N 1.27 1.41 -0.58 1.87 0.00 -0.96 -0.93 119.26 121.35 1s5z h ALA 30 Ca 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1s5z h ALA 30 Cb 0.15 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1s5z h ALA 30 CO -0.17 0.50 0.34 0.00 0.00 0.00 0.00 179.25 179.93 1s5z h ARG 31 N 0.96 0.79 -0.04 0.00 3.08 -0.97 0.11 114.38 118.32 1s5z h ARG 31 Ca 0.25 -0.08 -0.14 0.00 0.07 0.00 0.00 59.98 60.08 1s5z h ARG 31 Cb -0.02 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 1s5z h ARG 31 CO -0.05 0.58 -0.61 1.88 -1.07 0.00 0.00 179.97 180.71 1s5z h TYR 32 N 0.78 0.16 -0.22 3.04 0.05 -1.24 -2.39 116.97 117.16 1s5z h TYR 32 Ca 0.21 -0.06 -0.08 0.00 0.05 0.00 0.00 58.73 58.84 1s5z h TYR 32 Cb 0.00 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 37.71 1s5z h TYR 32 CO -0.02 0.70 -0.17 0.93 -1.05 0.00 0.00 178.16 178.55 1s5z h GLU 33 N 0.09 0.51 -0.16 4.88 5.08 -0.74 -2.60 114.58 121.65 1s5z h GLU 33 Ca -0.01 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.07 1s5z h GLU 33 Cb 1.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1s5z h GLU 33 CO 0.09 0.82 -0.06 0.87 -1.00 0.00 0.00 179.01 179.73 1s5z h LYS 34 N 0.20 0.24 0.00 2.33 1.57 -0.74 -2.32 116.57 117.86 1s5z h LYS 34 Ca 0.04 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1s5z h LYS 34 Cb 0.70 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 1s5z h LYS 34 CO 0.05 0.32 -0.25 -0.22 -0.57 0.00 0.00 179.45 178.77 1s5z h LYS 35 N 0.24 0.00 0.00 3.15 1.63 -1.30 -3.47 116.57 116.82 1s5z h LYS 35 Ca 0.05 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1s5z h LYS 35 Cb 0.26 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.89 1s5z h LYS 35 CO 0.01 0.25 0.00 0.41 -3.45 0.00 0.00 179.45 176.67 1s5z n GLY 36 N -0.71 0.82 3.78 5.01 0.00 -0.87 -5.10 105.19 108.12 1s5z n GLY 36 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1s5z n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s5z s PHE 37 N -2.00 3.70 -0.19 1.61 0.08 -0.99 -4.95 117.98 115.24 1s5z s PHE 37 Ca 0.00 1.73 -0.11 0.00 0.12 0.00 0.00 56.93 58.67 1s5z s PHE 37 Cb 0.00 -2.88 -0.05 0.00 -0.57 0.00 0.00 43.02 39.52 1s5z s PHE 37 CO 0.00 0.24 0.17 0.08 -0.10 0.00 0.00 175.22 175.62 1s5z s VAL 38 N -1.58 5.38 -0.27 -0.44 1.01 -0.44 -4.39 120.40 119.68 1s5z s VAL 38 Ca 0.49 0.29 -0.29 0.00 0.00 0.00 0.00 61.98 62.46 1s5z s VAL 38 Cb -0.19 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1s5z s VAL 38 CO 0.24 0.43 1.38 -0.22 0.00 0.00 0.00 175.10 176.93 1s5z s LEU 39 N 0.33 3.91 0.00 3.92 2.96 -1.26 -0.87 118.68 127.68 1s5z s LEU 39 Ca 0.11 1.35 0.08 0.00 -0.22 0.00 0.00 54.13 55.45 1s5z s LEU 39 Cb -0.12 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.07 1s5z s LEU 39 CO -0.00 -1.10 0.68 1.33 -1.32 0.00 0.00 176.35 175.94 1s5z n VAL 40 N 6.19 0.00 -3.63 1.68 0.24 -0.17 -4.95 118.33 117.69 1s5z n VAL 40 Ca 0.16 -0.46 -0.11 0.00 -2.04 0.00 0.00 64.34 61.89 1s5z n VAL 40 Cb 0.46 1.14 -0.07 0.00 -1.47 0.00 0.00 33.84 33.90 1s5z n VAL 40 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1s5z s GLY 41 N -0.92 -0.56 -0.26 7.63 0.00 -1.15 -1.21 107.32 110.86 1s5z s GLY 41 Ca 0.08 2.24 -0.25 0.00 0.00 0.00 0.00 44.72 46.80 1s5z s GLY 41 CO 0.15 2.05 0.76 -2.27 0.00 0.00 0.00 173.10 173.79 1s5z s LEU 42 N 0.93 -0.71 -0.29 0.66 2.96 -1.26 -1.40 118.68 119.57 1s5z s LEU 42 Ca -0.04 1.33 -0.32 0.00 -0.22 0.00 0.00 54.13 54.88 1s5z s LEU 42 Cb -0.05 2.40 0.18 0.00 0.50 0.00 0.00 46.19 49.22 1s5z s LEU 42 CO -0.08 -0.26 1.38 -1.59 -1.32 0.00 0.00 176.35 174.48 1s5z s LYS 43 N 0.27 0.03 -0.05 1.98 -2.85 -0.90 -5.02 119.74 113.20 1s5z s LYS 43 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 55.97 54.96 1s5z s LYS 43 Cb -0.05 0.02 -0.03 0.00 -2.06 0.00 0.00 37.83 35.71 1s5z s LYS 43 CO 0.01 -0.01 0.00 -1.14 0.10 0.00 0.00 175.35 174.30 1s5z s GLN 44 N -1.31 2.91 0.19 1.78 0.74 -1.26 -0.94 119.66 121.77 1s5z s GLN 44 Ca 0.10 -0.48 -0.23 0.00 0.05 0.00 0.00 55.36 54.80 1s5z s GLN 44 Cb -0.01 -2.74 0.05 0.00 1.10 0.00 0.00 33.01 31.41 1s5z s GLN 44 CO -0.07 0.67 0.68 -0.48 -0.55 0.00 0.00 175.29 175.55 1s5z s LEU 45 N -1.13 -0.43 -0.41 3.68 2.34 -0.10 -4.95 118.68 117.68 1s5z s LEU 45 Ca 0.16 -0.24 -0.10 0.00 0.06 0.00 0.00 54.13 54.01 1s5z s LEU 45 Cb -0.11 2.59 0.07 0.00 -0.56 0.00 0.00 46.19 48.17 1s5z s LEU 45 CO 0.05 -1.08 0.25 -0.69 -1.06 0.00 0.00 176.35 173.82 1s5z s VAL 46 N -3.75 4.32 0.31 1.48 1.01 -1.26 0.03 120.40 122.54 1s5z s VAL 46 Ca 0.05 -1.28 -0.29 0.00 0.00 0.00 0.00 61.98 60.46 1s5z s VAL 46 Cb -0.03 -3.59 -0.13 0.00 0.00 0.00 0.00 36.38 32.63 1s5z s VAL 46 CO -0.05 -0.45 1.30 -2.65 0.00 0.00 0.00 175.10 173.25 1s5z n PRO 47 N 4.94 2.06 -2.03 2.72 -0.02 -1.26 -5.00 135.00 136.41 1s5z n PRO 47 Ca -0.11 0.73 -0.29 0.00 -2.02 0.00 0.00 63.50 61.81 1s5z n PRO 47 Cb 0.44 -2.31 0.05 0.00 -0.02 0.00 0.00 33.50 31.65 1s5z n PRO 47 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1s5z s THR 48 N -0.84 3.34 0.28 3.45 -4.23 -1.26 -4.61 115.64 111.78 1s5z s THR 48 Ca 0.59 0.28 0.01 0.00 -1.18 0.00 0.00 61.69 61.39 1s5z s THR 48 Cb -0.60 -3.41 0.11 0.00 1.34 0.00 0.00 72.50 69.95 1s5z s THR 48 CO 0.59 -0.50 1.77 0.50 -0.54 0.00 0.00 174.62 176.44 1s5z h LYS 49 N -0.56 0.63 -0.02 3.99 3.64 -1.94 -1.91 116.57 120.40 1s5z h LYS 49 Ca -0.45 -0.18 0.01 0.00 -1.27 0.00 0.00 60.65 58.76 1s5z h LYS 49 Cb 1.26 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1s5z h LYS 49 CO 0.63 0.71 -0.04 -0.44 -2.27 0.00 0.00 179.45 178.04 1s5z h ASP 50 N 0.58 -0.12 -0.48 4.20 5.19 -1.99 -0.71 116.42 123.09 1s5z h ASP 50 Ca 0.11 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1s5z h ASP 50 Cb 0.50 0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.04 1s5z h ASP 50 CO 0.03 -0.06 0.31 0.25 -3.12 0.00 0.00 179.24 176.64 1s5z h LEU 51 N -0.07 0.57 -0.52 1.55 5.85 -1.90 -2.07 115.31 118.72 1s5z h LEU 51 Ca 0.02 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1s5z h LEU 51 Cb 0.10 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1s5z h LEU 51 CO -0.05 0.43 0.32 0.00 -0.34 0.00 0.00 178.44 178.80 1s5z h ALA 52 N 1.16 0.67 -0.12 1.25 0.00 -1.07 0.36 119.26 121.51 1s5z h ALA 52 Ca 0.17 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1s5z h ALA 52 Cb -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1s5z h ALA 52 CO -0.04 0.04 -0.40 0.93 0.00 0.00 0.00 179.25 179.78 1s5z h GLU 53 N 0.64 0.27 -0.18 0.00 5.08 -0.97 -1.06 114.58 118.36 1s5z h GLU 53 Ca 0.21 -0.13 -0.18 0.00 -1.00 0.00 0.00 59.36 58.26 1s5z h GLU 53 Cb -0.00 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1s5z h GLU 53 CO -0.08 0.64 -0.61 0.77 -1.00 0.00 0.00 179.01 178.72 1s5z h SER 54 N 0.23 0.72 -0.29 1.42 0.02 -0.99 -1.06 113.55 113.60 1s5z h SER 54 Ca 0.02 -0.41 -0.02 0.00 -0.84 0.00 0.00 61.79 60.54 1s5z h SER 54 Cb 0.81 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 1s5z h SER 54 CO 0.06 1.16 0.10 -0.74 -1.14 0.00 0.00 176.83 176.28 1s5z h HIS 55 N 0.47 0.45 -0.55 3.45 -0.00 -0.63 -2.93 115.15 115.41 1s5z h HIS 55 Ca -0.01 -0.04 -0.11 0.00 -0.00 0.00 0.00 60.37 60.21 1s5z h HIS 55 Cb 1.19 -0.13 -0.07 0.00 -0.00 0.00 0.00 27.41 28.40 1s5z h HIS 55 CO 0.06 0.46 0.15 0.66 -0.00 0.00 0.00 177.93 179.25 1s5z n TYR 56 N -4.73 1.88 -0.34 5.26 4.01 -0.43 -4.67 117.16 118.15 1s5z n TYR 56 Ca -0.02 -0.85 0.22 0.00 -0.16 0.00 0.00 57.90 57.09 1s5z n TYR 56 Cb 0.15 -0.54 0.49 0.00 -0.31 0.00 0.00 39.34 39.13 1s5z n TYR 56 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1s5z h ALA 57 N 2.93 2.14 0.00 -0.72 0.00 -0.99 -0.83 119.26 121.79 1s5z h ALA 57 Ca 0.14 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1s5z h ALA 57 Cb 1.91 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1s5z h ALA 57 CO 0.53 -0.59 0.00 1.05 0.00 0.00 0.00 179.25 180.24 1s5z h GLU 58 N 0.42 0.00 -0.16 0.00 4.11 -1.87 -2.42 114.58 114.65 1s5z h GLU 58 Ca 0.63 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.06 1s5z h GLU 58 Cb 1.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.77 1s5z h GLU 58 CO -0.36 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.44 1s5z n HIS 59 N -2.29 0.22 -0.36 2.06 8.25 -0.32 -4.79 115.22 117.99 1s5z n HIS 59 Ca -0.01 -0.46 0.29 0.00 -0.26 0.00 0.00 57.72 57.28 1s5z n HIS 59 Cb 0.06 -0.04 0.60 0.00 1.12 0.00 0.00 29.99 31.73 1s5z n HIS 59 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1s5z h LYS 60 N 1.04 0.23 -0.61 -0.41 2.10 -1.48 0.25 116.57 117.69 1s5z h LYS 60 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1s5z h LYS 60 Cb 0.59 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 1s5z h LYS 60 CO 0.00 0.15 0.00 0.39 -2.00 0.00 0.00 179.45 177.99 1s5z n GLU 61 N -4.53 2.62 -4.00 0.07 -0.58 -1.26 -4.89 120.64 108.06 1s5z n GLU 61 Ca 0.28 -2.22 -0.31 0.00 -0.42 0.00 0.00 57.16 54.49 1s5z n GLU 61 Cb 1.10 -1.55 -0.06 0.00 -0.57 0.00 0.00 31.44 30.36 1s5z n GLU 61 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1s5z s ARG 62 N -1.34 3.14 0.31 3.49 0.52 0.89 -5.03 118.95 120.94 1s5z s ARG 62 Ca 0.41 -0.54 0.08 0.00 -0.52 0.00 0.00 55.73 55.16 1s5z s ARG 62 Cb 0.23 -2.88 0.85 0.00 0.52 0.00 0.00 34.95 33.66 1s5z s ARG 62 CO 0.26 0.60 1.72 -1.35 0.02 0.00 0.00 175.30 176.55 1s5z h PRO 63 N 3.39 0.50 -0.03 3.54 0.11 -1.91 -2.08 132.00 135.52 1s5z h PRO 63 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1s5z h PRO 63 Cb 1.17 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1s5z h PRO 63 CO 0.69 0.33 0.00 1.97 -0.21 0.00 0.00 178.00 180.78 1s5z n PHE 64 N -4.94 0.03 0.15 0.65 1.16 -1.26 -4.28 117.46 108.97 1s5z n PHE 64 Ca 0.26 -0.01 -0.14 0.00 -1.87 0.00 0.00 57.45 55.68 1s5z n PHE 64 Cb 0.73 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.53 1s5z n PHE 64 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1s5z h PHE 65 N 0.85 -0.95 -0.80 2.97 3.57 -1.57 -2.35 116.94 118.66 1s5z h PHE 65 Ca 0.00 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.65 1s5z h PHE 65 Cb 0.18 0.39 -0.09 0.00 2.79 0.00 0.00 35.95 39.22 1s5z h PHE 65 CO 0.01 -0.47 0.39 0.78 -2.23 0.00 0.00 178.31 176.80 1s5z h GLY 66 N -0.63 1.26 0.98 2.40 0.00 -1.81 -1.34 103.07 103.92 1s5z h GLY 66 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1s5z h GLY 66 CO -0.15 -0.03 0.10 -1.33 0.00 0.00 0.00 176.54 175.13 1s5z h GLY 67 N 0.58 0.22 1.01 4.60 0.00 -1.76 -0.08 103.07 107.64 1s5z h GLY 67 Ca 0.43 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1s5z h GLY 67 CO -0.35 0.09 0.59 1.41 0.00 0.00 0.00 176.54 178.27 1s5z h LEU 68 N 0.19 1.07 -0.18 3.11 3.38 -0.88 -1.52 115.31 120.48 1s5z h LEU 68 Ca 0.06 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1s5z h LEU 68 Cb 0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1s5z h LEU 68 CO -0.01 0.79 0.03 0.58 0.09 0.00 0.00 178.44 179.92 1s5z h VAL 69 N 1.25 1.22 -0.64 1.22 2.07 -0.97 -2.27 116.25 118.13 1s5z h VAL 69 Ca 0.33 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1s5z h VAL 69 Cb -0.11 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1s5z h VAL 69 CO -0.07 0.21 0.34 0.28 0.02 0.00 0.00 177.57 178.35 1s5z h SER 70 N 0.09 0.81 -0.31 0.57 0.02 -0.82 -2.95 113.55 110.96 1s5z h SER 70 Ca 0.06 -0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 60.80 1s5z h SER 70 Cb 0.29 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1s5z h SER 70 CO 0.00 0.68 -0.21 0.15 -1.14 0.00 0.00 176.83 176.31 1s5z h PHE 71 N 0.87 0.82 0.00 3.45 3.57 -1.24 -2.36 116.94 122.06 1s5z h PHE 71 Ca 0.22 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1s5z h PHE 71 Cb 0.06 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.62 1s5z h PHE 71 CO -0.01 0.95 0.00 1.51 -2.23 0.00 0.00 178.31 178.53 1s5z n ILE 72 N -4.31 0.89 0.40 1.41 3.06 -0.86 -1.67 119.36 118.28 1s5z n ILE 72 Ca -0.03 0.24 0.08 0.00 -2.50 0.00 0.00 62.75 60.54 1s5z n ILE 72 Cb 0.43 -1.10 0.12 0.00 0.54 0.00 0.00 39.64 39.62 1s5z n ILE 72 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1s5z n THR 73 N -1.98 0.30 0.29 9.51 -2.24 -1.12 -4.39 114.28 114.65 1s5z n THR 73 Ca 0.03 -0.65 0.15 0.00 -2.27 0.00 0.00 64.05 61.31 1s5z n THR 73 Cb 0.21 1.09 0.52 0.00 -2.10 0.00 0.00 70.33 70.05 1s5z n THR 73 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1s5z h SER 74 N 3.19 0.00 -1.42 3.42 4.64 -0.77 -3.45 113.55 119.15 1s5z h SER 74 Ca 0.00 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 1s5z h SER 74 Cb 0.74 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.82 1s5z h SER 74 CO 0.00 0.00 0.20 0.61 -0.87 0.00 0.00 176.83 176.77 1s5z n GLY 75 N 0.38 1.16 3.76 -0.77 0.00 -1.26 -5.12 105.19 103.34 1s5z n GLY 75 Ca 0.02 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.62 1s5z n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1s5z s PRO 76 N -2.02 3.34 0.02 1.61 0.04 -1.26 -4.52 135.00 132.20 1s5z s PRO 76 Ca 0.08 2.27 0.04 0.00 0.04 0.00 0.00 61.00 63.43 1s5z s PRO 76 Cb -0.01 -2.39 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 1s5z s PRO 76 CO 0.03 -1.04 -0.11 0.08 0.04 0.00 0.00 177.00 175.99 1s5z s VAL 77 N -1.28 0.89 -0.42 -0.36 1.01 0.10 -3.80 120.40 116.54 1s5z s VAL 77 Ca 0.68 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.86 1s5z s VAL 77 Cb -0.41 -0.79 0.08 0.00 0.00 0.00 0.00 36.38 35.26 1s5z s VAL 77 CO 0.50 0.08 0.26 -0.69 0.00 0.00 0.00 175.10 175.25 1s5z s VAL 78 N -0.58 4.18 0.11 2.92 1.01 -0.93 -0.92 120.40 126.18 1s5z s VAL 78 Ca 0.02 -1.45 -0.18 0.00 0.00 0.00 0.00 61.98 60.37 1s5z s VAL 78 Cb -0.06 -3.58 -0.07 0.00 0.00 0.00 0.00 36.38 32.67 1s5z s VAL 78 CO 0.00 -0.53 0.58 0.00 0.00 0.00 0.00 175.10 175.15 1s5z s ALA 79 N 1.41 3.57 0.12 5.51 0.00 -0.11 -1.28 121.76 130.98 1s5z s ALA 79 Ca 0.03 -0.00 -0.15 0.00 0.00 0.00 0.00 51.96 51.83 1s5z s ALA 79 Cb -0.23 -2.62 0.03 0.00 0.00 0.00 0.00 23.12 20.30 1s5z s ALA 79 CO 0.02 0.41 0.38 0.00 0.00 0.00 0.00 175.76 176.57 1s5z s MET 80 N -1.46 1.05 -0.09 0.00 0.23 0.56 -2.12 119.30 117.48 1s5z s MET 80 Ca 0.33 -0.73 -0.00 0.00 -1.03 0.00 0.00 55.69 54.26 1s5z s MET 80 Cb -0.18 0.46 0.02 0.00 -1.53 0.00 0.00 34.83 33.61 1s5z s MET 80 CO 0.19 -0.41 -0.05 0.08 -2.03 0.00 0.00 175.02 172.81 1s5z s VAL 81 N -3.81 0.77 0.05 5.16 1.01 -0.49 -0.58 120.40 122.50 1s5z s VAL 81 Ca 0.03 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 61.90 1s5z s VAL 81 Cb 0.02 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 1s5z s VAL 81 CO -0.12 0.32 -0.04 -0.36 0.00 0.00 0.00 175.10 174.90 1s5z s PHE 82 N 1.61 2.94 0.01 5.22 0.40 -0.94 -1.00 117.98 126.22 1s5z s PHE 82 Ca 0.01 -0.03 0.07 0.00 -0.60 0.00 0.00 56.93 56.38 1s5z s PHE 82 Cb -0.13 -1.57 -0.02 0.00 0.51 0.00 0.00 43.02 41.81 1s5z s PHE 82 CO -0.05 0.44 -0.21 -2.00 0.70 0.00 0.00 175.22 174.09 1s5z s GLU 83 N -1.89 1.59 0.00 0.44 2.12 -0.05 -1.56 118.70 119.36 1s5z s GLU 83 Ca 0.21 -0.83 0.00 0.00 0.36 0.00 0.00 54.97 54.71 1s5z s GLU 83 Cb -0.11 -1.60 0.00 0.00 0.26 0.00 0.00 34.13 32.67 1s5z s GLU 83 CO 0.13 0.43 0.00 0.41 -0.54 0.00 0.00 175.26 175.69 1s5z n GLY 84 N 2.27 2.53 3.65 -1.50 0.00 0.10 -1.33 105.19 110.91 1s5z n GLY 84 Ca -0.16 -0.99 -0.47 0.00 0.00 0.00 0.00 46.02 44.39 1s5z n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1s5z n LYS 85 N -0.98 1.94 -3.34 1.61 4.81 -1.25 -2.07 118.16 118.88 1s5z n LYS 85 Ca 0.00 0.70 -0.20 0.00 -0.87 0.00 0.00 58.31 57.94 1s5z n LYS 85 Cb 0.00 -2.44 -0.02 0.00 0.02 0.00 0.00 35.03 32.59 1s5z n LYS 85 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1s5z n GLY 86 N 3.21 -0.47 0.34 3.14 0.00 -1.26 -4.82 105.19 105.32 1s5z n GLY 86 Ca 0.17 0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.25 1s5z n GLY 86 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1s5z h VAL 87 N -0.56 1.18 0.67 1.61 3.04 -1.71 -1.40 116.25 119.09 1s5z h VAL 87 Ca -0.32 -0.39 -0.03 0.00 -1.01 0.00 0.00 66.70 64.94 1s5z h VAL 87 Cb 1.21 0.24 -0.01 0.00 -2.01 0.00 0.00 31.29 30.73 1s5z h VAL 87 CO 0.44 0.19 -0.47 0.58 -1.01 0.00 0.00 177.57 177.31 1s5z h VAL 88 N 0.91 0.00 -0.73 1.51 2.07 -1.85 0.27 116.25 118.43 1s5z h VAL 88 Ca 0.24 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.77 1s5z h VAL 88 Cb -0.05 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.68 1s5z h VAL 88 CO -0.05 0.00 0.48 0.00 0.02 0.00 0.00 177.57 178.02 1s5z h ALA 89 N -1.16 0.93 -0.34 1.67 0.00 -1.87 -2.85 119.26 115.64 1s5z h ALA 89 Ca -0.09 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1s5z h ALA 89 Cb 0.88 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1s5z h ALA 89 CO 0.06 0.32 0.19 1.03 0.00 0.00 0.00 179.25 180.85 1s5z h SER 90 N 0.96 0.41 -0.73 0.00 0.87 -1.04 -2.25 113.55 111.77 1s5z h SER 90 Ca 0.27 -0.07 0.03 0.00 -1.23 0.00 0.00 61.79 60.80 1s5z h SER 90 Cb -0.08 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 61.73 1s5z h SER 90 CO -0.07 0.36 0.48 0.00 -0.53 0.00 0.00 176.83 177.07 1s5z h ALA 91 N 1.07 1.57 -0.10 6.23 0.00 -0.30 -1.04 119.26 126.67 1s5z h ALA 91 Ca 0.12 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 1s5z h ALA 91 Cb 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1s5z h ALA 91 CO -0.02 0.36 -0.51 0.00 0.00 0.00 0.00 179.25 179.09 1s5z h ARG 92 N 0.90 0.28 -0.40 0.00 3.08 -1.24 -1.71 114.38 115.28 1s5z h ARG 92 Ca 0.29 -0.16 -0.11 0.00 0.07 0.00 0.00 59.98 60.07 1s5z h ARG 92 Cb 0.04 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1s5z h ARG 92 CO -0.08 0.73 -0.18 1.25 -1.07 0.00 0.00 179.97 180.62 1s5z h LEU 93 N 0.22 0.77 -1.14 3.04 5.85 -0.70 -2.30 115.31 121.05 1s5z h LEU 93 Ca 0.01 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 1s5z h LEU 93 Cb 0.97 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.79 1s5z h LEU 93 CO 0.08 0.95 -0.15 0.24 -0.34 0.00 0.00 178.44 179.22 1s5z h MET 94 N 0.68 0.00 0.04 1.25 2.86 -0.91 -3.14 114.93 115.72 1s5z h MET 94 Ca 0.10 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.57 1s5z h MET 94 Cb 0.67 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.35 1s5z h MET 94 CO 0.05 0.15 -0.70 0.82 1.06 0.00 0.00 176.91 178.28 1s5z h ILE 95 N 0.00 1.44 0.00 -1.22 1.08 -0.84 -0.84 117.51 117.13 1s5z h ILE 95 Ca -0.00 -2.22 0.00 0.00 -0.39 0.00 0.00 64.86 62.24 1s5z h ILE 95 Cb 0.70 2.76 0.00 0.00 -3.07 0.00 0.00 36.82 37.20 1s5z h ILE 95 CO 0.02 0.64 0.00 0.61 -0.69 0.00 0.00 178.15 178.73 1s5z n GLY 96 N 1.24 0.24 3.52 5.37 0.00 -0.91 -1.41 105.19 113.25 1s5z n GLY 96 Ca -0.11 -1.63 -0.24 0.00 0.00 0.00 0.00 46.02 44.04 1s5z n GLY 96 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1s5z s VAL 97 N 0.00 1.49 0.24 1.61 -7.23 -1.26 -4.70 120.40 110.55 1s5z s VAL 97 Ca 0.00 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.12 1s5z s VAL 97 Cb 0.00 -2.85 0.23 0.00 0.56 0.00 0.00 36.38 34.32 1s5z s VAL 97 CO 0.00 0.00 1.68 0.74 -0.31 0.00 0.00 175.10 177.21 1s5z h THR 98 N 1.96 0.51 -3.61 5.32 2.02 -1.98 -3.36 112.91 113.77 1s5z h THR 98 Ca -0.42 -0.09 -0.62 0.00 0.77 0.00 0.00 66.41 66.05 1s5z h THR 98 Cb 1.24 0.22 -0.12 0.00 -1.74 0.00 0.00 68.15 67.75 1s5z h THR 98 CO 0.74 0.05 0.38 0.21 0.37 0.00 0.00 175.52 177.26 1s5z s ASN 99 N -5.24 6.45 0.51 4.18 3.04 -1.26 -4.65 114.94 117.97 1s5z s ASN 99 Ca -0.13 0.01 0.17 0.00 0.04 0.00 0.00 52.86 52.96 1s5z s ASN 99 Cb 0.21 -2.39 1.24 0.00 -1.54 0.00 0.00 41.25 38.77 1s5z s ASN 99 CO 0.76 -0.88 2.10 1.55 -3.04 0.00 0.00 177.10 177.58 1s5z h PRO 100 N 8.87 0.07 0.00 0.43 0.13 -1.85 -1.37 132.00 138.29 1s5z h PRO 100 Ca -0.25 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.85 1s5z h PRO 100 Cb 1.09 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1s5z h PRO 100 CO 0.95 0.05 -0.14 -0.07 -0.23 0.00 0.00 178.00 178.57 1s5z h LEU 101 N 0.08 0.00 -1.67 1.56 3.38 -1.83 -2.18 115.31 114.65 1s5z h LEU 101 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1s5z h LEU 101 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1s5z h LEU 101 CO -0.01 0.14 -0.11 0.00 0.09 0.00 0.00 178.44 178.55 1s5z n ALA 102 N -2.25 2.71 -2.10 1.53 0.00 -0.56 -4.94 120.51 114.90 1s5z n ALA 102 Ca -0.01 -0.67 -0.41 0.00 0.00 0.00 0.00 53.44 52.35 1s5z n ALA 102 Cb 0.28 -0.76 -0.05 0.00 0.00 0.00 0.00 19.45 18.92 1s5z n ALA 102 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1s5z s SER 103 N -2.01 7.47 0.50 0.00 0.01 -0.82 -4.87 113.70 113.98 1s5z s SER 103 Ca 0.24 1.90 -0.22 0.00 1.31 0.00 0.00 55.95 59.19 1s5z s SER 103 Cb 0.19 -2.60 -0.06 0.00 0.21 0.00 0.00 66.02 63.75 1s5z s SER 103 CO 0.35 -0.05 1.19 0.00 0.41 0.00 0.00 173.24 175.13 1s5z s ALA 104 N -0.33 2.87 0.42 1.44 0.00 -1.26 -4.34 121.76 120.56 1s5z s ALA 104 Ca 0.46 0.97 -0.26 0.00 0.00 0.00 0.00 51.96 53.13 1s5z s ALA 104 Cb -0.25 -3.41 -0.09 0.00 0.00 0.00 0.00 23.12 19.36 1s5z s ALA 104 CO 0.32 -0.82 1.45 -2.30 0.00 0.00 0.00 175.76 174.41 1s5z n PRO 105 N -0.80 2.41 0.00 0.00 -0.02 -1.26 -2.07 135.00 133.25 1s5z n PRO 105 Ca 0.09 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1s5z n PRO 105 Cb 0.48 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1s5z n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s5z n GLY 106 N 0.53 1.80 3.92 -1.23 0.00 -1.26 -4.96 105.19 103.99 1s5z n GLY 106 Ca 0.04 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 1s5z n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s5z s SER 107 N -0.20 5.67 0.07 1.61 1.04 -0.88 -4.90 113.70 116.12 1s5z s SER 107 Ca 0.00 0.69 -0.33 0.00 0.48 0.00 0.00 55.95 56.79 1s5z s SER 107 Cb 0.00 -1.73 -0.19 0.00 0.10 0.00 0.00 66.02 64.20 1s5z s SER 107 CO 0.00 -0.99 1.62 0.40 0.98 0.00 0.00 173.24 175.25 1s5z h ILE 108 N -0.08 0.32 -0.19 -1.02 2.04 -1.12 0.28 117.51 117.73 1s5z h ILE 108 Ca -0.46 -0.01 -0.08 0.00 1.00 0.00 0.00 64.86 65.32 1s5z h ILE 108 Cb 1.25 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1s5z h ILE 108 CO 0.60 0.00 -0.23 0.03 0.00 0.00 0.00 178.15 178.56 1s5z h ARG 109 N -0.93 0.34 -0.77 2.37 3.08 -1.50 -0.21 114.38 116.75 1s5z h ARG 109 Ca -0.09 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 59.80 1s5z h ARG 109 Cb 0.71 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.70 1s5z h ARG 109 CO 0.16 0.55 0.32 0.78 -1.07 0.00 0.00 179.97 180.71 1s5z h GLY 110 N 0.96 1.23 1.43 0.04 0.00 -1.67 -0.44 103.07 104.62 1s5z h GLY 110 Ca 0.05 -0.66 -0.14 0.00 0.00 0.00 0.00 47.33 46.58 1s5z h GLY 110 CO 0.04 0.63 -1.02 -0.55 0.00 0.00 0.00 176.54 175.64 1s5z h ASP 111 N 1.11 0.00 0.00 0.19 3.32 -0.65 -3.43 116.42 116.97 1s5z h ASP 111 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1s5z h ASP 111 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1s5z h ASP 111 CO -0.02 0.54 -0.33 0.49 -1.72 0.00 0.00 179.24 178.19 1s5z n PHE 112 N -3.03 0.00 -4.26 4.55 3.72 -0.11 -5.07 117.46 113.25 1s5z n PHE 112 Ca -0.04 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.10 1s5z n PHE 112 Cb 0.79 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 39.25 1s5z n PHE 112 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1s5z s GLY 113 N -1.23 1.71 0.00 1.37 0.00 -0.18 -5.01 107.32 103.98 1s5z s GLY 113 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 43.24 1s5z s GLY 113 CO 0.00 -1.51 0.14 3.33 0.00 0.00 0.00 173.10 175.06 1s5z n VAL 114 N -0.25 0.00 -3.74 1.40 0.24 -1.26 -4.22 118.33 110.50 1s5z n VAL 114 Ca -0.09 -0.15 -0.15 0.00 -2.04 0.00 0.00 64.34 61.91 1s5z n VAL 114 Cb 0.56 1.64 -0.15 0.00 -1.47 0.00 0.00 33.84 34.42 1s5z n VAL 114 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1s5z s ASP 115 N -0.03 0.12 0.48 -1.34 -1.08 -1.26 -4.66 116.67 108.91 1s5z s ASP 115 Ca 0.00 0.22 0.19 0.00 -0.52 0.00 0.00 52.55 52.44 1s5z s ASP 115 Cb 0.00 0.11 1.21 0.00 -1.46 0.00 0.00 42.92 42.78 1s5z s ASP 115 CO 0.00 -0.16 2.00 1.62 0.52 0.00 0.00 175.17 179.15 1s5z h VAL 116 N 6.19 0.84 0.00 1.11 3.04 -1.95 0.68 116.25 126.16 1s5z h VAL 116 Ca -0.38 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.24 1s5z h VAL 116 Cb 1.13 0.63 0.00 0.00 -2.01 0.00 0.00 31.29 31.04 1s5z h VAL 116 CO 0.39 0.03 0.00 0.61 -1.01 0.00 0.00 177.57 177.59 1s5z n GLY 117 N -1.57 -1.43 2.25 3.17 0.00 -1.26 -3.52 105.19 102.83 1s5z n GLY 117 Ca 0.08 0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1s5z n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s5z n ARG 118 N -2.23 1.11 -1.04 1.61 5.12 0.20 -4.97 116.66 116.47 1s5z n ARG 118 Ca 0.03 -3.50 -0.22 0.00 -1.93 0.00 0.00 57.85 52.23 1s5z n ARG 118 Cb 0.30 -1.53 0.10 0.00 -1.16 0.00 0.00 32.46 30.18 1s5z n ARG 118 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1s5z n ASN 119 N 0.91 5.18 0.00 0.55 6.94 -1.04 -4.35 115.26 123.45 1s5z n ASN 119 Ca 0.24 -3.35 0.00 0.00 -0.02 0.00 0.00 54.58 51.45 1s5z n ASN 119 Cb 0.55 -0.87 0.00 0.00 -2.36 0.00 0.00 39.78 37.10 1s5z n ASN 119 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1s5z n ILE 120 N -0.60 0.00 -3.99 1.53 2.08 -1.26 -4.78 119.36 112.34 1s5z n ILE 120 Ca 0.47 0.00 -0.08 0.00 0.56 0.00 0.00 62.75 63.70 1s5z n ILE 120 Cb 1.06 0.00 -0.09 0.00 -0.75 0.00 0.00 39.64 39.87 1s5z n ILE 120 CO 0.00 0.00 0.00 -0.51 0.56 0.00 0.00 176.55 176.60 1s5z s ILE 121 N 0.00 0.17 -0.03 1.39 2.07 -1.26 -1.43 121.20 122.11 1s5z s ILE 121 Ca 0.00 -1.52 0.06 0.00 -1.41 0.00 0.00 60.65 57.78 1s5z s ILE 121 Cb 0.00 -1.51 -0.01 0.00 0.13 0.00 0.00 42.46 41.07 1s5z s ILE 121 CO 0.00 -0.76 -0.20 -2.28 -1.91 0.00 0.00 174.94 169.79 1s5z s HIS 122 N -3.91 1.86 -0.00 3.50 5.65 -0.29 -4.93 115.29 117.17 1s5z s HIS 122 Ca 0.08 -0.44 0.02 0.00 0.25 0.00 0.00 55.06 54.97 1s5z s HIS 122 Cb 0.06 -1.22 -0.01 0.00 -1.18 0.00 0.00 32.58 30.24 1s5z s HIS 122 CO -0.09 -0.10 -0.06 0.20 -0.65 0.00 0.00 174.74 174.04 1s5z s GLY 123 N -0.26 0.31 0.47 1.59 0.00 -1.26 -0.98 107.32 107.18 1s5z s GLY 123 Ca 0.02 -0.29 -0.23 0.00 0.00 0.00 0.00 44.72 44.22 1s5z s GLY 123 CO 0.01 -0.26 1.09 1.44 0.00 0.00 0.00 173.10 175.39 1s5z n SER 124 N 2.84 1.60 -0.19 1.64 7.64 -0.86 -4.92 113.62 121.37 1s5z n SER 124 Ca -0.14 1.00 0.12 0.00 1.01 0.00 0.00 58.87 60.86 1s5z n SER 124 Cb 0.58 -1.42 0.18 0.00 -1.01 0.00 0.00 64.21 62.54 1s5z n SER 124 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1s5z n ASP 125 N 0.04 1.10 -3.76 6.43 5.75 -1.26 -4.81 116.55 120.04 1s5z n ASP 125 Ca 0.10 -0.88 -0.07 0.00 -0.01 0.00 0.00 54.79 53.92 1s5z n ASP 125 Cb 0.41 0.39 -0.02 0.00 -1.03 0.00 0.00 41.12 40.87 1s5z n ASP 125 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1s5z s SER 126 N -2.71 -0.30 0.19 -1.12 1.04 -1.26 -4.94 113.70 104.60 1s5z s SER 126 Ca 0.17 -0.46 -0.09 0.00 0.48 0.00 0.00 55.95 56.05 1s5z s SER 126 Cb 0.18 0.66 0.10 0.00 0.10 0.00 0.00 66.02 67.06 1s5z s SER 126 CO 0.64 -1.20 1.69 0.58 0.98 0.00 0.00 173.24 175.93 1s5z h VAL 127 N 2.00 1.26 -0.12 5.02 2.07 -1.93 -0.43 116.25 124.13 1s5z h VAL 127 Ca -0.22 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.25 1s5z h VAL 127 Cb 1.26 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1s5z h VAL 127 CO 0.26 0.39 0.07 -0.08 0.02 0.00 0.00 177.57 178.23 1s5z h GLU 128 N 1.04 0.16 -0.08 1.57 4.81 -1.97 -1.78 114.58 118.33 1s5z h GLU 128 Ca 0.20 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.32 1s5z h GLU 128 Cb 0.45 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1s5z h GLU 128 CO 0.01 0.18 -0.37 0.66 -0.73 0.00 0.00 179.01 178.76 1s5z h SER 129 N 0.11 0.16 0.12 1.04 4.64 -1.93 -2.13 113.55 115.56 1s5z h SER 129 Ca 0.04 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1s5z h SER 129 Cb 0.06 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1s5z h SER 129 CO -0.01 0.52 -0.06 0.00 -0.87 0.00 0.00 176.83 176.42 1s5z h ALA 130 N 1.49 -0.16 -0.75 5.18 0.00 -0.80 0.11 119.26 124.34 1s5z h ALA 130 Ca 0.01 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1s5z h ALA 130 Cb 0.72 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1s5z h ALA 130 CO 0.05 -0.54 0.49 -0.91 0.00 0.00 0.00 179.25 178.35 1s5z h ASN 131 N -0.27 0.74 0.22 0.00 2.35 -1.14 0.35 115.58 117.83 1s5z h ASN 131 Ca -0.02 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 1s5z h ASN 131 Cb 0.22 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1s5z h ASN 131 CO 0.03 0.50 -0.10 -0.09 -1.65 0.00 0.00 177.43 176.11 1s5z h ARG 132 N 0.86 -0.28 -0.61 0.81 2.43 -0.98 -2.72 114.38 113.88 1s5z h ARG 132 Ca 0.31 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1s5z h ARG 132 Cb 0.14 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 1s5z h ARG 132 CO -0.10 0.02 0.38 0.93 -1.51 0.00 0.00 179.97 179.70 1s5z h GLU 133 N -0.59 0.82 -0.11 0.20 5.08 -0.31 -1.72 114.58 117.96 1s5z h GLU 133 Ca -0.03 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1s5z h GLU 133 Cb 0.43 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 1s5z h GLU 133 CO 0.05 0.58 -0.24 0.82 -1.00 0.00 0.00 179.01 179.21 1s5z h ILE 134 N 0.83 0.42 0.00 3.13 1.08 -0.33 0.63 117.51 123.27 1s5z h ILE 134 Ca 0.22 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.67 1s5z h ILE 134 Cb -0.04 0.42 -0.00 0.00 -3.07 0.00 0.00 36.82 34.12 1s5z h ILE 134 CO -0.04 0.00 -0.08 0.00 -0.69 0.00 0.00 178.15 177.34 1s5z h ALA 135 N 0.61 1.33 0.03 1.87 0.00 -1.29 0.49 119.26 122.30 1s5z h ALA 135 Ca 0.09 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1s5z h ALA 135 Cb 0.46 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1s5z h ALA 135 CO -0.29 0.10 -0.38 1.25 0.00 0.00 0.00 179.25 179.93 1s5z h LEU 136 N 0.00 0.28 0.00 0.00 6.46 -0.15 -3.38 115.31 118.53 1s5z h LEU 136 Ca -0.00 -0.85 -0.20 0.00 -0.12 0.00 0.00 57.88 56.71 1s5z h LEU 136 Cb 0.23 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.04 1s5z h LEU 136 CO 0.01 1.10 -1.28 -0.50 -0.62 0.00 0.00 178.44 177.15 1s5z h TRP 137 N -0.50 0.00 -3.52 1.25 4.06 -0.78 -3.48 115.95 112.99 1s5z h TRP 137 Ca -0.06 0.00 -0.64 0.00 2.06 0.00 0.00 58.89 60.26 1s5z h TRP 137 Cb 1.18 0.00 -0.20 0.00 -1.00 0.00 0.00 29.16 29.14 1s5z h TRP 137 CO 0.19 0.76 -0.83 -0.06 -3.56 0.00 0.00 178.44 174.94 1s5z s PHE 138 N -2.80 2.18 0.17 0.49 0.40 0.15 -5.10 117.98 113.47 1s5z s PHE 138 Ca -0.02 -0.39 -0.05 0.00 -0.60 0.00 0.00 56.93 55.88 1s5z s PHE 138 Cb 0.08 -1.13 -0.06 0.00 0.51 0.00 0.00 43.02 42.43 1s5z s PHE 138 CO 0.81 0.39 0.41 0.15 0.70 0.00 0.00 175.22 177.68 1s5z s LYS 139 N -2.40 3.64 0.29 0.44 1.02 -1.26 -4.46 119.74 117.00 1s5z s LYS 139 Ca 0.16 -0.05 0.04 0.00 0.02 0.00 0.00 55.97 56.14 1s5z s LYS 139 Cb -0.09 -2.81 0.71 0.00 -0.52 0.00 0.00 37.83 35.13 1s5z s LYS 139 CO 0.08 0.43 1.73 -1.35 -0.92 0.00 0.00 175.35 175.31 1s5z h PRO 140 N 2.66 0.51 -0.04 -1.68 0.11 -1.95 -0.23 132.00 131.39 1s5z h PRO 140 Ca -0.46 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.63 1s5z h PRO 140 Cb 1.17 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1s5z h PRO 140 CO 0.71 0.34 0.06 0.93 -0.21 0.00 0.00 178.00 179.83 1s5z h GLU 141 N 0.53 0.00 -0.03 1.05 3.07 -2.02 -1.69 114.58 115.49 1s5z h GLU 141 Ca 0.55 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.41 1s5z h GLU 141 Cb 0.97 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.88 1s5z h GLU 141 CO -0.46 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.54 1s5z n GLU 142 N -3.57 1.43 -4.85 2.33 1.02 -0.10 -4.84 120.64 112.07 1s5z n GLU 142 Ca -0.02 -0.63 -0.33 0.00 -0.02 0.00 0.00 57.16 56.16 1s5z n GLU 142 Cb 0.14 -1.46 -0.13 0.00 -0.02 0.00 0.00 31.44 29.98 1s5z n GLU 142 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1s5z s LEU 143 N -1.90 2.80 0.47 -4.62 1.43 -0.64 -4.51 118.68 111.71 1s5z s LEU 143 Ca 0.39 -0.18 -0.23 0.00 -1.03 0.00 0.00 54.13 53.08 1s5z s LEU 143 Cb 0.20 -1.58 -0.07 0.00 0.03 0.00 0.00 46.19 44.77 1s5z s LEU 143 CO 0.32 0.34 1.24 -0.76 0.23 0.00 0.00 176.35 177.72 1s5z s LEU 144 N -0.69 4.01 0.00 1.79 1.43 -0.35 -4.98 118.68 119.90 1s5z s LEU 144 Ca 0.10 2.48 0.00 0.00 -1.03 0.00 0.00 54.13 55.68 1s5z s LEU 144 Cb -0.11 -4.18 0.00 0.00 0.03 0.00 0.00 46.19 41.93 1s5z s LEU 144 CO 0.01 -1.06 0.00 0.35 0.23 0.00 0.00 176.35 175.88 1s5z n THR 145 N -0.49 0.00 -3.42 5.49 -2.24 -1.26 -4.96 114.28 107.39 1s5z n THR 145 Ca 0.07 0.47 -0.32 0.00 -2.27 0.00 0.00 64.05 62.01 1s5z n THR 145 Cb 0.46 -1.45 -0.05 0.00 -2.10 0.00 0.00 70.33 67.19 1s5z n THR 145 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1s5z s GLU 146 N -0.95 3.77 0.00 -0.78 4.04 -1.26 -4.99 118.70 118.53 1s5z s GLU 146 Ca 0.00 0.22 0.00 0.00 0.04 0.00 0.00 54.97 55.23 1s5z s GLU 146 Cb 0.00 -2.66 0.00 0.00 0.02 0.00 0.00 34.13 31.49 1s5z s GLU 146 CO 0.00 0.32 0.00 0.28 -1.84 0.00 0.00 175.26 174.02 1s5z n VAL 147 N -0.21 0.00 -1.65 1.83 0.31 -1.26 -5.14 118.33 112.20 1s5z n VAL 147 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1s5z n VAL 147 Cb 0.52 -0.24 0.00 0.00 -0.91 0.00 0.00 33.84 33.21 1s5z n VAL 147 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1s5z n LYS 148 N -1.96 -3.62 -1.74 5.55 0.00 -1.26 -4.89 118.16 110.24 1s5z n LYS 148 Ca 0.00 2.75 -0.42 0.00 0.00 0.00 0.00 58.31 60.64 1s5z n LYS 148 Cb 0.24 -2.98 -0.03 0.00 0.00 0.00 0.00 35.03 32.26 1s5z n LYS 148 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1s5z s PRO 149 N -1.33 4.13 -0.08 1.64 0.04 -1.26 -4.94 135.00 133.20 1s5z s PRO 149 Ca 0.00 2.59 -0.30 0.00 0.04 0.00 0.00 61.00 63.33 1s5z s PRO 149 Cb 0.00 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.38 1s5z s PRO 149 CO 0.00 -0.75 1.51 1.21 0.04 0.00 0.00 177.00 179.01 1s5z s ASN 150 N 1.28 6.77 0.62 6.66 3.84 -1.26 -4.87 114.94 127.98 1s5z s ASN 150 Ca 0.75 2.06 0.31 0.00 0.21 0.00 0.00 52.86 56.19 1s5z s ASN 150 Cb -0.49 -2.54 1.73 0.00 -0.55 0.00 0.00 41.25 39.40 1s5z s ASN 150 CO 0.32 -0.86 2.06 1.55 -2.79 0.00 0.00 177.10 177.39 1s5z h PRO 151 N 8.96 0.00 0.00 0.43 0.13 -1.92 -0.07 132.00 139.52 1s5z h PRO 151 Ca -0.35 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.73 1s5z h PRO 151 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1s5z h PRO 151 CO 0.95 0.00 -0.33 -0.91 -0.23 0.00 0.00 178.00 177.48 1s5z h ASN 152 N 0.00 0.00 0.18 1.44 2.35 -2.00 -3.35 115.58 114.19 1s5z h ASN 152 Ca 0.07 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.47 1s5z h ASN 152 Cb 0.57 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.90 1s5z h ASN 152 CO -0.00 0.20 -2.08 0.18 -1.65 0.00 0.00 177.43 174.08 1s5z n LEU 153 N -3.09 1.83 -4.27 1.61 4.77 -0.10 -4.99 117.00 112.75 1s5z n LEU 153 Ca 0.02 0.16 -0.22 0.00 -0.03 0.00 0.00 56.01 55.95 1s5z n LEU 153 Cb 0.62 -0.48 -0.12 0.00 -2.33 0.00 0.00 43.42 41.11 1s5z n LEU 153 CO 0.37 0.69 -0.49 -0.31 -1.33 0.00 0.00 177.39 176.32 1s5z s TYR 154 N -2.55 1.65 -2.00 -1.77 2.02 -0.82 -5.05 117.35 108.83 1s5z s TYR 154 Ca -0.18 -0.45 0.10 0.00 -0.37 0.00 0.00 57.07 56.17 1s5z s TYR 154 Cb 0.07 -0.88 0.61 0.00 -0.40 0.00 0.00 41.96 41.36 1s5z s TYR 154 CO 0.76 0.20 1.05 0.39 -1.57 0.00 0.00 175.55 176.38