#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfi s THR 26 N 0.00 1.83 -0.06 12.58 -4.23 -1.26 0.12 115.64 124.61 3hfi s THR 26 Ca 0.00 -0.87 0.05 0.00 -1.18 0.00 0.00 61.69 59.68 3hfi s THR 26 Cb 0.00 -1.61 -0.01 0.00 1.34 0.00 0.00 72.50 72.21 3hfi s THR 26 CO 0.00 0.51 -0.21 -1.83 -0.54 0.00 0.00 174.62 172.55 3hfi s GLU 27 N 0.57 2.64 -0.10 3.99 -1.05 -0.22 -4.86 118.70 119.68 3hfi s GLU 27 Ca -0.14 -0.83 -0.30 0.00 -0.15 0.00 0.00 54.97 53.55 3hfi s GLU 27 Cb -0.17 -2.27 -0.02 0.00 -0.44 0.00 0.00 34.13 31.23 3hfi s GLU 27 CO 0.05 0.42 1.20 0.08 0.95 0.00 0.00 175.26 177.95 3hfi s VAL 28 N -0.23 4.31 -0.15 1.83 1.01 -1.26 -1.13 120.40 124.78 3hfi s VAL 28 Ca -0.01 1.61 -0.19 0.00 0.00 0.00 0.00 61.98 63.40 3hfi s VAL 28 Cb -0.13 -4.04 -0.24 0.00 0.00 0.00 0.00 36.38 31.97 3hfi s VAL 28 CO 0.03 -0.05 0.43 0.40 0.00 0.00 0.00 175.10 175.91 3hfi h ILE 29 N 5.17 1.03 -2.59 2.22 2.04 -0.85 -3.48 117.51 121.05 3hfi h ILE 29 Ca -0.31 -2.30 -0.04 0.00 1.00 0.00 0.00 64.86 63.21 3hfi h ILE 29 Cb 1.14 2.58 -0.15 0.00 -0.74 0.00 0.00 36.82 39.65 3hfi h ILE 29 CO 0.91 0.56 0.18 0.28 0.00 0.00 0.00 178.15 180.08 3hfi s THR 30 N -2.41 0.00 0.12 -0.27 -1.32 -1.12 -5.01 115.64 105.63 3hfi s THR 30 Ca -0.24 -0.03 -0.02 0.00 -1.21 0.00 0.00 61.69 60.19 3hfi s THR 30 Cb 0.04 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 70.00 3hfi s THR 30 CO 0.69 -0.02 0.07 -0.94 -2.21 0.00 0.00 174.62 172.22 3hfi s SER 31 N -2.07 0.30 -0.19 8.08 1.04 -1.26 -0.55 113.70 119.05 3hfi s SER 31 Ca -0.04 -1.10 -0.28 0.00 0.48 0.00 0.00 55.95 55.01 3hfi s SER 31 Cb -0.01 0.30 0.10 0.00 0.10 0.00 0.00 66.02 66.51 3hfi s SER 31 CO -0.03 -0.72 0.88 -0.60 0.98 0.00 0.00 173.24 173.75 3hfi s ARG 32 N -4.00 0.72 -0.21 4.02 3.52 -0.54 -4.98 118.95 117.48 3hfi s ARG 32 Ca 0.19 0.47 -0.14 0.00 -0.13 0.00 0.00 55.73 56.12 3hfi s ARG 32 Cb 0.07 0.34 -0.04 0.00 -1.56 0.00 0.00 34.95 33.76 3hfi s ARG 32 CO -0.01 -0.16 0.32 0.42 -0.81 0.00 0.00 175.30 175.05 3hfi s ILE 33 N -0.44 5.26 0.04 4.11 -1.09 -1.26 0.37 121.20 128.18 3hfi s ILE 33 Ca -0.02 0.54 -0.01 0.00 -2.23 0.00 0.00 60.65 58.93 3hfi s ILE 33 Cb -0.03 -3.65 -0.03 0.00 -1.58 0.00 0.00 42.46 37.17 3hfi s ILE 33 CO 0.01 0.30 -0.03 -1.83 -1.23 0.00 0.00 174.94 172.16 3hfi s GLU 34 N 1.11 0.52 0.19 2.79 -1.05 0.22 -4.93 118.70 117.55 3hfi s GLU 34 Ca 0.15 -1.02 -0.31 0.00 -0.15 0.00 0.00 54.97 53.65 3hfi s GLU 34 Cb -0.14 0.18 -0.09 0.00 -0.44 0.00 0.00 34.13 33.63 3hfi s GLU 34 CO 0.06 -0.09 1.44 -2.14 0.95 0.00 0.00 175.26 175.48 3hfi s PRO 35 N -3.13 4.28 0.13 -4.83 0.02 -1.26 -0.49 135.00 129.71 3hfi s PRO 35 Ca -0.00 2.23 -0.31 0.00 0.02 0.00 0.00 61.00 62.94 3hfi s PRO 35 Cb 0.02 -3.16 -0.10 0.00 0.02 0.00 0.00 34.50 31.28 3hfi s PRO 35 CO -0.07 -0.44 1.80 0.00 -0.33 0.00 0.00 177.00 177.96 3hfi s ALA 36 N 0.51 3.77 0.91 -1.55 0.00 0.06 -4.81 121.76 120.66 3hfi s ALA 36 Ca 0.63 1.44 -0.13 0.00 0.00 0.00 0.00 51.96 53.90 3hfi s ALA 36 Cb -0.41 -3.75 0.14 0.00 0.00 0.00 0.00 23.12 19.10 3hfi s ALA 36 CO 0.37 -1.18 1.17 0.54 0.00 0.00 0.00 175.76 176.66 3hfi s ASN 37 N 2.53 3.59 0.23 0.00 2.20 -1.26 -0.58 114.94 121.65 3hfi s ASN 37 Ca 0.80 0.81 -0.07 0.00 -0.94 0.00 0.00 52.86 53.45 3hfi s ASN 37 Cb -0.46 -1.28 0.26 0.00 -2.00 0.00 0.00 41.25 37.77 3hfi s ASN 37 CO 0.36 -2.49 1.87 0.03 -2.94 0.00 0.00 177.10 173.93 3hfi h ARG 38 N -1.46 0.98 -0.24 3.55 3.08 -1.97 0.29 114.38 118.61 3hfi h ARG 38 Ca -0.48 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.47 3hfi h ARG 38 Cb 1.32 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 3hfi h ARG 38 CO 0.59 0.65 0.00 -0.92 -1.07 0.00 0.00 179.97 179.21 3hfi h TYR 39 N 1.01 0.45 -0.64 3.04 3.20 -2.00 -0.81 116.97 121.23 3hfi h TYR 39 Ca 0.34 -0.08 -0.09 0.00 3.14 0.00 0.00 58.73 62.04 3hfi h TYR 39 Cb 0.04 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 3hfi h TYR 39 CO -0.03 0.59 0.06 0.28 -1.64 0.00 0.00 178.16 177.42 3hfi h VAL 40 N 0.19 1.26 -0.45 1.81 2.07 -1.85 -1.77 116.25 117.51 3hfi h VAL 40 Ca 0.07 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 3hfi h VAL 40 Cb 0.41 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3hfi h VAL 40 CO 0.01 0.40 0.24 0.00 0.02 0.00 0.00 177.57 178.25 3hfi h ALA 41 N 1.05 0.57 -0.39 1.67 0.00 -0.23 -0.47 119.26 121.46 3hfi h ALA 41 Ca 0.19 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3hfi h ALA 41 Cb 0.49 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3hfi h ALA 41 CO 0.02 0.09 0.17 1.49 0.00 0.00 0.00 179.25 181.03 3hfi h GLU 42 N 0.58 0.35 -0.31 0.00 4.81 -0.96 0.95 114.58 120.00 3hfi h GLU 42 Ca 0.16 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.40 3hfi h GLU 42 Cb 0.05 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 3hfi h GLU 42 CO -0.03 0.23 0.10 0.87 -0.73 0.00 0.00 179.01 179.46 3hfi h LYS 43 N 0.36 0.23 -0.00 1.92 1.79 -1.04 -2.59 116.57 117.24 3hfi h LYS 43 Ca 0.17 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 3hfi h LYS 43 Cb 0.10 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 3hfi h LYS 43 CO -0.14 0.15 -0.04 1.28 -1.08 0.00 0.00 179.45 179.62 3hfi n LEU 44 N -5.03 0.41 -3.66 2.94 4.77 -0.21 -4.87 117.00 111.35 3hfi n LEU 44 Ca 0.00 -0.04 -0.22 0.00 -0.03 0.00 0.00 56.01 55.73 3hfi n LEU 44 Cb 0.11 -0.11 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 3hfi n LEU 44 CO 0.28 0.07 -0.06 0.54 -1.33 0.00 0.00 177.39 176.89 3hfi n ARG 45 N -0.84 -4.47 -4.48 3.23 1.74 0.19 -4.53 116.66 107.50 3hfi n ARG 45 Ca 0.18 0.63 -0.23 0.00 -0.77 0.00 0.00 57.85 57.66 3hfi n ARG 45 Cb 0.23 -5.15 -0.10 0.00 -1.02 0.00 0.00 32.46 26.42 3hfi n ARG 45 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3hfi s ILE 46 N -3.63 1.26 0.05 0.55 -4.36 -0.38 -5.03 121.20 109.66 3hfi s ILE 46 Ca 0.07 -2.00 -0.31 0.00 -0.26 0.00 0.00 60.65 58.15 3hfi s ILE 46 Cb -0.02 -2.79 -0.06 0.00 1.25 0.00 0.00 42.46 40.85 3hfi s ILE 46 CO 0.81 0.00 1.23 -0.89 0.24 0.00 0.00 174.94 176.33 3hfi s THR 47 N -3.21 3.96 0.20 8.37 2.01 -1.26 -4.42 115.64 121.29 3hfi s THR 47 Ca 0.35 1.40 -0.31 0.00 0.31 0.00 0.00 61.69 63.44 3hfi s THR 47 Cb 0.09 -3.89 -0.16 0.00 0.01 0.00 0.00 72.50 68.54 3hfi s THR 47 CO 0.16 0.09 0.99 -2.65 -0.69 0.00 0.00 174.62 172.51 3hfi n PRO 48 N 4.18 0.90 0.00 4.92 -0.02 -1.26 -1.73 135.00 141.99 3hfi n PRO 48 Ca 0.10 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3hfi n PRO 48 Cb 0.46 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 3hfi n PRO 48 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hfi n GLY 49 N 1.76 1.67 3.74 -1.23 0.00 0.26 -4.96 105.19 106.42 3hfi n GLY 49 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3hfi n GLY 49 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hfi s GLN 50 N -0.65 4.31 0.22 1.61 0.74 -0.71 -4.24 119.66 120.93 3hfi s GLN 50 Ca 0.00 2.22 -0.31 0.00 0.05 0.00 0.00 55.36 57.32 3hfi s GLN 50 Cb 0.00 -3.14 -0.11 0.00 1.10 0.00 0.00 33.01 30.86 3hfi s GLN 50 CO 0.00 -0.37 1.58 -0.51 -0.55 0.00 0.00 175.29 175.44 3hfi s ASP 51 N 0.37 6.51 0.24 6.67 1.01 -1.26 -0.76 116.67 129.45 3hfi s ASP 51 Ca 0.59 2.75 0.07 0.00 0.71 0.00 0.00 52.55 56.66 3hfi s ASP 51 Cb -0.40 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 40.87 3hfi s ASP 51 CO 0.41 -0.85 -0.09 0.27 0.21 0.00 0.00 175.17 175.13 3hfi s ILE 52 N 0.69 1.60 -0.20 0.77 -5.25 0.36 -4.56 121.20 114.61 3hfi s ILE 52 Ca 0.68 -2.15 -0.17 0.00 -0.99 0.00 0.00 60.65 58.02 3hfi s ILE 52 Cb -0.45 -2.27 -0.04 0.00 2.95 0.00 0.00 42.46 42.65 3hfi s ILE 52 CO 0.37 -0.43 0.47 -0.22 -1.79 0.00 0.00 174.94 173.34 3hfi s LEU 53 N -3.37 4.15 -0.17 0.37 2.96 -0.76 -0.61 118.68 121.24 3hfi s LEU 53 Ca 0.26 0.60 -0.07 0.00 -0.22 0.00 0.00 54.13 54.70 3hfi s LEU 53 Cb 0.02 -2.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 3hfi s LEU 53 CO 0.09 -0.14 0.07 -0.47 -1.32 0.00 0.00 176.35 174.59 3hfi s TYR 54 N 1.50 3.28 -0.07 5.38 5.04 0.16 -1.37 117.35 131.28 3hfi s TYR 54 Ca 0.22 0.13 0.02 0.00 -2.44 0.00 0.00 57.07 55.01 3hfi s TYR 54 Cb -0.15 -2.06 0.01 0.00 0.35 0.00 0.00 41.96 40.11 3hfi s TYR 54 CO 0.09 0.22 -0.13 -0.51 -1.34 0.00 0.00 175.55 173.89 3hfi s LEU 55 N 0.20 1.66 -0.17 6.97 1.02 0.03 -1.47 118.68 126.92 3hfi s LEU 55 Ca 0.05 -0.31 -0.03 0.00 0.02 0.00 0.00 54.13 53.86 3hfi s LEU 55 Cb -0.12 -0.85 -0.02 0.00 0.02 0.00 0.00 46.19 45.22 3hfi s LEU 55 CO 0.00 0.04 -0.06 -0.70 0.02 0.00 0.00 176.35 175.64 3hfi s GLU 56 N 0.66 3.48 -0.02 1.70 2.12 0.29 -0.36 118.70 126.57 3hfi s GLU 56 Ca -0.15 -0.61 0.02 0.00 0.36 0.00 0.00 54.97 54.60 3hfi s GLU 56 Cb -0.16 -2.88 0.00 0.00 0.26 0.00 0.00 34.13 31.35 3hfi s GLU 56 CO 0.04 0.06 -0.08 1.03 -0.54 0.00 0.00 175.26 175.76 3hfi s ARG 57 N 0.81 0.77 -0.21 4.30 0.52 1.00 -0.07 118.95 126.07 3hfi s ARG 57 Ca -0.02 -0.27 -0.03 0.00 -0.52 0.00 0.00 55.73 54.89 3hfi s ARG 57 Cb -0.15 -0.74 -0.00 0.00 0.52 0.00 0.00 34.95 34.58 3hfi s ARG 57 CO 0.01 0.12 -0.08 -1.17 0.02 0.00 0.00 175.30 174.21 3hfi s LEU 58 N 0.06 2.71 -0.21 2.53 2.96 -0.28 -0.14 118.68 126.31 3hfi s LEU 58 Ca -0.01 -0.45 -0.07 0.00 -0.22 0.00 0.00 54.13 53.38 3hfi s LEU 58 Cb -0.06 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 3hfi s LEU 58 CO 0.00 -0.01 0.06 -0.60 -1.32 0.00 0.00 176.35 174.48 3hfi s ARG 59 N 1.38 3.80 -0.01 1.98 3.52 0.49 -1.05 118.95 129.06 3hfi s ARG 59 Ca 0.05 -0.42 0.06 0.00 -0.13 0.00 0.00 55.73 55.29 3hfi s ARG 59 Cb -0.14 -3.25 -0.03 0.00 -1.56 0.00 0.00 34.95 29.97 3hfi s ARG 59 CO -0.05 0.04 -0.20 -1.54 -0.81 0.00 0.00 175.30 172.74 3hfi s SER 60 N 1.00 3.61 -0.37 -2.12 1.04 0.32 -0.50 113.70 116.68 3hfi s SER 60 Ca 0.04 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.10 3hfi s SER 60 Cb -0.14 -0.59 0.10 0.00 0.10 0.00 0.00 66.02 65.49 3hfi s SER 60 CO 0.03 0.31 0.12 -0.63 0.98 0.00 0.00 173.24 174.05 3hfi s ILE 61 N -0.75 2.81 -0.35 -1.02 1.01 0.28 -0.78 121.20 122.40 3hfi s ILE 61 Ca 0.12 -2.14 0.00 0.00 0.00 0.00 0.00 60.65 58.63 3hfi s ILE 61 Cb -0.10 -2.96 0.00 0.00 0.01 0.00 0.00 42.46 39.40 3hfi s ILE 61 CO 0.01 -0.61 0.00 0.61 0.00 0.00 0.00 174.94 174.96 3hfi n GLY 62 N 4.44 0.46 2.11 6.18 0.00 -1.26 -2.77 105.19 114.36 3hfi n GLY 62 Ca -0.00 -0.83 -0.04 0.00 0.00 0.00 0.00 46.02 45.14 3hfi n GLY 62 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hfi n ASP 63 N 1.37 -3.34 -4.45 1.61 2.03 -1.26 -5.06 116.55 107.46 3hfi n ASP 63 Ca -0.04 0.09 -0.33 0.00 0.52 0.00 0.00 54.79 55.03 3hfi n ASP 63 Cb 0.30 -1.33 -0.13 0.00 -0.72 0.00 0.00 41.12 39.24 3hfi n ASP 63 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 3hfi s GLU 64 N -2.51 2.56 -0.28 -0.67 2.12 -1.12 -5.10 118.70 113.71 3hfi s GLU 64 Ca 0.00 -0.72 -0.29 0.00 0.36 0.00 0.00 54.97 54.32 3hfi s GLU 64 Cb 0.00 -2.37 -0.01 0.00 0.26 0.00 0.00 34.13 32.01 3hfi s GLU 64 CO 0.00 0.58 1.41 0.15 -0.54 0.00 0.00 175.26 176.86 3hfi s LYS 65 N -0.61 3.85 -0.12 4.30 1.02 -1.26 1.00 119.74 127.92 3hfi s LYS 65 Ca 0.09 1.35 -0.04 0.00 0.02 0.00 0.00 55.97 57.39 3hfi s LYS 65 Cb -0.11 -3.94 -0.01 0.00 -0.52 0.00 0.00 37.83 33.24 3hfi s LYS 65 CO 0.01 -1.21 -0.08 0.00 -0.92 0.00 0.00 175.35 173.14 3hfi h ALA 66 N 9.86 0.00 -2.57 5.17 0.00 -1.12 -3.47 119.26 127.14 3hfi h ALA 66 Ca -0.29 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.29 3hfi h ALA 66 Cb 1.12 0.24 -0.16 0.00 0.00 0.00 0.00 17.79 18.99 3hfi h ALA 66 CO 1.03 0.24 -0.24 0.00 0.00 0.00 0.00 179.25 180.28 3hfi s MET 67 N -1.87 0.85 -0.19 0.00 0.23 -0.69 -3.51 119.30 114.11 3hfi s MET 67 Ca -0.07 -0.59 -0.05 0.00 -1.03 0.00 0.00 55.69 53.95 3hfi s MET 67 Cb 0.01 0.36 -0.03 0.00 -1.53 0.00 0.00 34.83 33.65 3hfi s MET 67 CO 0.10 -0.28 0.01 -1.17 -2.03 0.00 0.00 175.02 171.65 3hfi s LEU 68 N -2.26 3.33 -0.12 0.18 2.96 -0.60 -0.38 118.68 121.80 3hfi s LEU 68 Ca -0.03 -0.16 0.03 0.00 -0.22 0.00 0.00 54.13 53.75 3hfi s LEU 68 Cb 0.00 -1.84 -0.00 0.00 0.50 0.00 0.00 46.19 44.85 3hfi s LEU 68 CO -0.05 0.09 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.23 3hfi s ILE 69 N 0.87 2.31 -0.32 6.68 1.01 0.80 -0.71 121.20 131.84 3hfi s ILE 69 Ca 0.01 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.74 3hfi s ILE 69 Cb -0.14 -1.92 0.07 0.00 0.01 0.00 0.00 42.46 40.48 3hfi s ILE 69 CO 0.02 0.55 0.02 -1.61 0.00 0.00 0.00 174.94 173.91 3hfi s GLU 70 N 0.48 2.16 -0.06 2.79 2.02 -0.02 -0.00 118.70 126.08 3hfi s GLU 70 Ca -0.14 -1.48 -0.10 0.00 0.02 0.00 0.00 54.97 53.27 3hfi s GLU 70 Cb -0.17 -3.19 -0.05 0.00 0.10 0.00 0.00 34.13 30.82 3hfi s GLU 70 CO 0.05 -0.74 0.27 -0.80 0.02 0.00 0.00 175.26 174.07 3hfi s ASN 71 N 1.26 6.59 -0.12 -0.19 -0.87 0.51 -0.90 114.94 121.22 3hfi s ASN 71 Ca -0.01 0.70 -0.00 0.00 -1.57 0.00 0.00 52.86 51.98 3hfi s ASN 71 Cb -0.20 -2.15 0.02 0.00 -0.02 0.00 0.00 41.25 38.90 3hfi s ASN 71 CO -0.04 0.36 -0.10 -0.13 -2.57 0.00 0.00 177.10 174.62 3hfi s ARG 72 N -1.11 1.77 -0.11 -0.60 0.52 -0.21 -0.79 118.95 118.41 3hfi s ARG 72 Ca 0.20 -0.35 0.03 0.00 -0.52 0.00 0.00 55.73 55.09 3hfi s ARG 72 Cb -0.14 -1.73 0.00 0.00 0.52 0.00 0.00 34.95 33.60 3hfi s ARG 72 CO 0.09 -0.24 -0.23 0.42 0.02 0.00 0.00 175.30 175.37 3hfi s ILE 73 N 1.57 2.10 -0.59 1.52 1.01 -0.47 -0.55 121.20 125.78 3hfi s ILE 73 Ca 0.03 -0.99 -0.27 0.00 0.00 0.00 0.00 60.65 59.42 3hfi s ILE 73 Cb -0.13 -1.81 -0.00 0.00 0.01 0.00 0.00 42.46 40.53 3hfi s ILE 73 CO -0.08 0.56 1.63 0.21 0.00 0.00 0.00 174.94 177.26 3hfi s ASN 74 N 0.49 5.72 0.47 3.58 2.47 -0.31 -1.83 114.94 125.52 3hfi s ASN 74 Ca -0.15 0.28 0.29 0.00 0.42 0.00 0.00 52.86 53.70 3hfi s ASN 74 Cb -0.17 -2.54 0.97 0.00 -1.45 0.00 0.00 41.25 38.06 3hfi s ASN 74 CO 0.06 -2.04 1.83 0.16 -3.72 0.00 0.00 177.10 173.39 3hfi h ILE 75 N 6.59 0.00 -0.02 -5.21 3.07 -1.89 -2.99 117.51 117.06 3hfi h ILE 75 Ca -0.27 -0.64 0.01 0.00 1.55 0.00 0.00 64.86 65.50 3hfi h ILE 75 Cb 1.12 1.62 -0.00 0.00 -0.27 0.00 0.00 36.82 39.29 3hfi h ILE 75 CO 1.20 0.00 0.02 -0.33 -1.05 0.00 0.00 178.15 177.99 3hfi h GLU 76 N 0.00 0.00 0.00 0.16 4.39 -1.89 -1.92 114.58 115.32 3hfi h GLU 76 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3hfi h GLU 76 Cb 0.67 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 3hfi h GLU 76 CO 0.00 0.00 -0.63 -0.07 -1.16 0.00 0.00 179.01 177.15 3hfi h LEU 77 N 0.00 0.00 -6.59 1.33 3.38 -1.95 -3.40 115.31 108.08 3hfi h LEU 77 Ca 0.01 -0.15 -0.60 0.00 0.09 0.00 0.00 57.88 57.23 3hfi h LEU 77 Cb 0.05 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.41 3hfi h LEU 77 CO -0.00 0.08 -0.86 0.00 0.09 0.00 0.00 178.44 177.75 3hfi n PRO 79 N 2.81 0.93 0.00 0.00 -0.02 -1.24 -2.33 135.00 135.16 3hfi n PRO 79 Ca 0.24 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3hfi n PRO 79 Cb 0.43 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 3hfi n PRO 79 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hfi n GLY 80 N 4.91 0.66 0.21 -1.23 0.00 -1.26 -4.87 105.19 103.61 3hfi n GLY 80 Ca 0.32 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.38 3hfi n GLY 80 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3hfi h ILE 81 N 0.00 1.20 0.00 -0.61 6.09 -1.81 -0.89 117.51 121.49 3hfi h ILE 81 Ca 0.00 -0.94 0.00 0.00 -1.37 0.00 0.00 64.86 62.55 3hfi h ILE 81 Cb 0.00 1.50 0.00 0.00 0.47 0.00 0.00 36.82 38.79 3hfi h ILE 81 CO 0.00 0.27 0.00 -0.37 -3.07 0.00 0.00 178.15 174.98 3hfi h VAL 82 N 0.01 0.00 -0.01 2.19 -1.51 -1.94 -2.75 116.25 112.25 3hfi h VAL 82 Ca -0.00 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 65.12 3hfi h VAL 82 Cb 0.49 1.33 0.00 0.00 -2.13 0.00 0.00 31.29 30.98 3hfi h VAL 82 CO 0.04 0.00 -0.32 -0.62 -1.23 0.00 0.00 177.57 175.44 3hfi n GLU 83 N -3.04 0.76 -2.55 5.19 1.02 -0.34 -4.94 120.64 116.74 3hfi n GLU 83 Ca -0.00 -0.48 -0.36 0.00 -0.02 0.00 0.00 57.16 56.30 3hfi n GLU 83 Cb 0.23 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.12 3hfi n GLU 83 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3hfi s ILE 84 N -2.56 3.76 -0.46 -3.67 -1.09 -1.04 -5.03 121.20 111.11 3hfi s ILE 84 Ca 0.22 1.29 -0.15 0.00 -2.23 0.00 0.00 60.65 59.78 3hfi s ILE 84 Cb 0.19 -3.64 0.06 0.00 -1.58 0.00 0.00 42.46 37.49 3hfi s ILE 84 CO 0.55 -0.04 0.37 -0.62 -1.23 0.00 0.00 174.94 173.97 3hfi s ASP 85 N -1.65 6.13 0.00 3.58 2.15 -1.26 -4.95 116.67 120.66 3hfi s ASP 85 Ca 0.59 -1.25 0.08 0.00 0.43 0.00 0.00 52.55 52.41 3hfi s ASP 85 Cb -0.21 -2.17 0.29 0.00 -0.30 0.00 0.00 42.92 40.53 3hfi s ASP 85 CO 0.26 -0.60 1.22 0.49 -0.17 0.00 0.00 175.17 176.36 3hfi n PHE 86 N 5.19 0.24 0.35 -5.34 3.01 -1.26 -0.38 117.46 119.27 3hfi n PHE 86 Ca -0.12 -0.12 0.13 0.00 1.01 0.00 0.00 57.45 58.35 3hfi n PHE 86 Cb 0.44 0.00 0.35 0.00 -0.01 0.00 0.00 39.48 40.26 3hfi n PHE 86 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 3hfi h ASN 87 N 1.16 0.00 0.00 4.37 -0.26 -1.92 -3.37 115.58 115.56 3hfi h ASN 87 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3hfi h ASN 87 Cb 0.26 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.52 3hfi h ASN 87 CO 0.00 0.00 -0.50 0.00 -1.06 0.00 0.00 177.43 175.87 3hfi n GLN 88 N -2.81 3.96 -4.11 0.81 1.13 0.49 -5.02 117.38 111.82 3hfi n GLN 88 Ca 0.04 -0.01 -0.12 0.00 -1.94 0.00 0.00 57.00 54.96 3hfi n GLN 88 Cb 0.44 -0.88 -0.11 0.00 0.11 0.00 0.00 30.24 29.80 3hfi n GLN 88 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 3hfi s HIS 89 N -1.79 0.79 0.08 1.08 3.76 -0.45 -5.04 115.29 113.71 3hfi s HIS 89 Ca 0.02 -0.69 -0.20 0.00 -0.15 0.00 0.00 55.06 54.04 3hfi s HIS 89 Cb 0.05 -0.46 -0.07 0.00 1.11 0.00 0.00 32.58 33.21 3hfi s HIS 89 CO 0.28 -0.11 0.60 -0.80 -0.85 0.00 0.00 174.74 173.87 3hfi s ASN 90 N -2.25 7.10 0.02 1.40 0.02 -1.26 -4.44 114.94 115.53 3hfi s ASN 90 Ca 0.00 1.31 -0.27 0.00 -1.02 0.00 0.00 52.86 52.88 3hfi s ASN 90 Cb -0.03 -2.38 -0.17 0.00 0.02 0.00 0.00 41.25 38.70 3hfi s ASN 90 CO -0.02 0.25 1.30 0.25 0.02 0.00 0.00 177.10 178.90 3hfi h LEU 91 N 4.60 -0.50 -0.21 0.60 5.85 -1.99 -2.41 115.31 121.24 3hfi h LEU 91 Ca -0.49 -0.09 -0.21 0.00 0.84 0.00 0.00 57.88 57.93 3hfi h LEU 91 Cb 1.21 0.13 0.01 0.00 0.37 0.00 0.00 40.66 42.38 3hfi h LEU 91 CO 0.64 -0.18 -0.68 -0.26 -0.34 0.00 0.00 178.44 177.62 3hfi h PHE 92 N -0.85 1.09 -0.89 1.25 0.04 -1.99 -1.16 116.94 114.42 3hfi h PHE 92 Ca -0.06 -0.44 0.14 0.00 2.80 0.00 0.00 57.97 60.40 3hfi h PHE 92 Cb 0.56 -0.18 -0.07 0.00 2.20 0.00 0.00 35.95 38.46 3hfi h PHE 92 CO 0.01 1.28 0.57 -1.35 -0.60 0.00 0.00 178.31 178.21 3hfi h PRO 93 N 0.59 0.69 -0.26 1.51 0.11 -2.00 -1.14 132.00 131.49 3hfi h PRO 93 Ca -0.03 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 65.85 3hfi h PRO 93 Cb 1.30 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3hfi h PRO 93 CO 0.14 0.46 -0.58 1.15 -0.21 0.00 0.00 178.00 178.97 3hfi h THR 94 N 0.71 1.28 -0.58 -1.15 2.02 -0.85 -0.77 112.91 113.58 3hfi h THR 94 Ca 0.44 -1.77 0.07 0.00 0.77 0.00 0.00 66.41 65.92 3hfi h THR 94 Cb 0.68 1.68 -0.06 0.00 -1.74 0.00 0.00 68.15 68.71 3hfi h THR 94 CO -0.20 0.57 0.26 0.40 0.37 0.00 0.00 175.52 176.92 3hfi h ILE 95 N 0.63 0.87 -0.21 3.11 2.04 -0.75 -1.46 117.51 121.74 3hfi h ILE 95 Ca 0.01 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.65 3hfi h ILE 95 Cb 1.18 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 3hfi h ILE 95 CO 0.12 0.09 -0.04 -0.33 0.00 0.00 0.00 178.15 177.99 3hfi h GLU 96 N 0.49 0.40 0.12 2.37 5.08 -0.89 -0.90 114.58 121.24 3hfi h GLU 96 Ca 0.27 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3hfi h GLU 96 Cb 0.25 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3hfi h GLU 96 CO -0.23 0.64 -0.09 0.77 -1.00 0.00 0.00 179.01 179.10 3hfi h SER 97 N 0.13 -0.23 -0.01 1.42 0.02 -1.03 -0.64 113.55 113.23 3hfi h SER 97 Ca 0.05 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 3hfi h SER 97 Cb 0.49 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 3hfi h SER 97 CO 0.02 -0.14 -0.23 -0.07 -1.14 0.00 0.00 176.83 175.27 3hfi h LEU 98 N -0.21 0.39 0.00 5.07 3.38 -1.23 -2.94 115.31 119.77 3hfi h LEU 98 Ca -0.00 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 3hfi h LEU 98 Cb 0.19 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3hfi h LEU 98 CO -0.00 0.63 -0.38 0.77 0.09 0.00 0.00 178.44 179.55 3hfi h SER 99 N 0.36 0.00 -5.48 -0.43 4.64 -1.11 -3.40 113.55 108.12 3hfi h SER 99 Ca 0.06 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.98 3hfi h SER 99 Cb 0.60 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.63 3hfi h SER 99 CO 0.04 0.18 -0.60 0.29 -0.87 0.00 0.00 176.83 175.88 3hfi n LYS 100 N -3.06 -3.76 -4.36 4.77 5.02 -0.26 -5.01 118.16 111.50 3hfi n LYS 100 Ca 0.02 0.53 -0.25 0.00 -2.02 0.00 0.00 58.31 56.59 3hfi n LYS 100 Cb 0.61 -5.28 -0.13 0.00 -0.02 0.00 0.00 35.03 30.22 3hfi n LYS 100 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3hfi s ARG 101 N -6.08 1.21 0.06 1.97 0.52 -1.17 -5.06 118.95 110.40 3hfi s ARG 101 Ca 0.43 -1.16 -0.12 0.00 -0.52 0.00 0.00 55.73 54.37 3hfi s ARG 101 Cb -0.22 -1.49 -0.06 0.00 0.52 0.00 0.00 34.95 33.70 3hfi s ARG 101 CO 0.53 0.35 0.41 0.15 0.02 0.00 0.00 175.30 176.76 3hfi s LYS 102 N -1.82 3.81 -0.15 3.54 1.02 -1.26 -4.45 119.74 120.43 3hfi s LYS 102 Ca 0.08 0.26 -0.29 0.00 0.02 0.00 0.00 55.97 56.04 3hfi s LYS 102 Cb -0.10 -3.06 -0.02 0.00 -0.52 0.00 0.00 37.83 34.13 3hfi s LYS 102 CO 0.04 0.60 1.34 0.42 -0.92 0.00 0.00 175.35 176.83 3hfi s ILE 103 N -1.30 4.15 -0.05 2.17 1.01 -1.26 -4.49 121.20 121.43 3hfi s ILE 103 Ca 0.30 1.38 0.06 0.00 0.00 0.00 0.00 60.65 62.39 3hfi s ILE 103 Cb -0.15 -3.90 -0.08 0.00 0.01 0.00 0.00 42.46 38.34 3hfi s ILE 103 CO 0.16 -0.13 0.14 0.54 0.00 0.00 0.00 174.94 175.65 3hfi n ARG 104 N 6.73 0.99 -3.81 2.79 1.74 -0.73 -5.00 116.66 119.37 3hfi n ARG 104 Ca 0.15 -0.04 -0.10 0.00 -0.77 0.00 0.00 57.85 57.08 3hfi n ARG 104 Cb 0.44 -1.07 -0.07 0.00 -1.02 0.00 0.00 32.46 30.74 3hfi n ARG 104 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3hfi s TYR 105 N -2.25 0.03 -0.05 -1.55 2.02 -1.13 -5.04 117.35 109.38 3hfi s TYR 105 Ca -0.01 -0.31 -0.08 0.00 -0.37 0.00 0.00 57.07 56.29 3hfi s TYR 105 Cb 0.04 0.01 0.02 0.00 -0.40 0.00 0.00 41.96 41.62 3hfi s TYR 105 CO 0.23 -0.51 0.20 0.45 -1.57 0.00 0.00 175.55 174.36 3hfi s SER 106 N -2.41 -0.15 -0.01 2.29 0.15 -1.26 -0.35 113.70 111.97 3hfi s SER 106 Ca -0.01 0.21 0.02 0.00 0.70 0.00 0.00 55.95 56.88 3hfi s SER 106 Cb 0.01 0.36 -0.01 0.00 -1.71 0.00 0.00 66.02 64.68 3hfi s SER 106 CO -0.07 -0.19 -0.07 -1.61 1.20 0.00 0.00 173.24 172.50 3hfi s GLU 107 N -0.45 0.54 0.12 5.44 2.02 -0.27 -4.98 118.70 121.12 3hfi s GLU 107 Ca -0.05 -0.24 0.05 0.00 0.02 0.00 0.00 54.97 54.75 3hfi s GLU 107 Cb -0.04 -0.53 -0.04 0.00 0.10 0.00 0.00 34.13 33.63 3hfi s GLU 107 CO 0.01 0.14 -0.13 -1.12 0.02 0.00 0.00 175.26 174.19 3hfi s SER 108 N -0.15 1.84 -0.05 -0.19 0.01 -1.26 -0.84 113.70 113.06 3hfi s SER 108 Ca 0.03 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.45 3hfi s SER 108 Cb -0.03 -0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.19 3hfi s SER 108 CO -0.00 -0.19 -0.02 -0.60 0.41 0.00 0.00 173.24 172.83 3hfi s ARG 109 N -2.82 0.64 -0.09 12.44 3.52 -0.22 -4.98 118.95 127.45 3hfi s ARG 109 Ca 0.09 -0.00 -0.00 0.00 -0.13 0.00 0.00 55.73 55.68 3hfi s ARG 109 Cb -0.04 -0.79 -0.03 0.00 -1.56 0.00 0.00 34.95 32.54 3hfi s ARG 109 CO 0.02 -0.15 -0.06 0.71 -0.81 0.00 0.00 175.30 175.01 3hfi s TYR 110 N 1.23 2.97 -0.01 5.12 2.02 -1.26 -1.24 117.35 126.17 3hfi s TYR 110 Ca -0.06 -0.04 -0.14 0.00 -0.37 0.00 0.00 57.07 56.46 3hfi s TYR 110 Cb -0.14 -1.76 0.02 0.00 -0.40 0.00 0.00 41.96 39.69 3hfi s TYR 110 CO -0.02 0.27 0.30 0.00 -1.57 0.00 0.00 175.55 174.53 3hfi s ALA 111 N -0.59 -0.75 0.00 3.71 0.00 0.74 -5.00 121.76 119.87 3hfi s ALA 111 Ca 0.09 0.28 -0.28 0.00 0.00 0.00 0.00 51.96 52.05 3hfi s ALA 111 Cb -0.12 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 3hfi s ALA 111 CO 0.02 -0.26 0.89 0.00 0.00 0.00 0.00 175.76 176.40 3hfi s ALA 112 N -1.38 3.24 0.26 0.00 0.00 -1.26 0.13 121.76 122.75 3hfi s ALA 112 Ca -0.13 0.42 0.04 0.00 0.00 0.00 0.00 51.96 52.28 3hfi s ALA 112 Cb -0.05 -3.20 -0.05 0.00 0.00 0.00 0.00 23.12 19.81 3hfi s ALA 112 CO 0.04 -0.14 0.02 1.03 0.00 0.00 0.00 175.76 176.70 3hfi s ARG 113 N 0.73 1.44 -0.49 0.00 1.81 -0.54 -4.89 118.95 117.00 3hfi s ARG 113 Ca 0.46 -1.75 -0.09 0.00 -1.72 0.00 0.00 55.73 52.63 3hfi s ARG 113 Cb -0.20 -0.67 0.13 0.00 -0.45 0.00 0.00 34.95 33.75 3hfi s ARG 113 CO 0.25 -0.13 0.37 -0.51 -0.68 0.00 0.00 175.30 174.60 3hfi s LEU 114 N -3.36 5.72 0.06 2.53 2.01 -1.26 0.14 118.68 124.52 3hfi s LEU 114 Ca 0.32 -2.00 -0.07 0.00 0.01 0.00 0.00 54.13 52.38 3hfi s LEU 114 Cb 0.06 -2.01 0.03 0.00 0.01 0.00 0.00 46.19 44.29 3hfi s LEU 114 CO 0.11 -0.67 0.46 0.00 1.01 0.00 0.00 176.35 177.26 3hfi n ILE 115 N 4.79 -0.18 0.00 -0.59 0.13 0.56 -4.54 119.36 119.53 3hfi n ILE 115 Ca -0.06 0.71 0.00 0.00 -1.10 0.00 0.00 62.75 62.30 3hfi n ILE 115 Cb 0.41 -0.91 0.00 0.00 -0.84 0.00 0.00 39.64 38.30 3hfi n ILE 115 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3hfi n GLY 116 N -1.11 2.50 0.09 4.50 0.00 -1.26 -4.67 105.19 105.23 3hfi n GLY 116 Ca 0.02 -2.05 -0.12 0.00 0.00 0.00 0.00 46.02 43.87 3hfi n GLY 116 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3hfi h ASN 117 N 0.00 -0.07 -0.23 1.61 -1.24 -1.96 0.15 115.58 113.85 3hfi h ASN 117 Ca 0.00 -0.56 -0.09 0.00 0.71 0.00 0.00 56.30 56.37 3hfi h ASN 117 Cb 0.00 0.02 -0.00 0.00 0.73 0.00 0.00 38.32 39.06 3hfi h ASN 117 CO 0.00 0.58 -0.20 -0.08 -1.29 0.00 0.00 177.43 176.44 3hfi h GLU 118 N -0.77 0.54 -0.66 6.67 4.81 -1.99 -0.69 114.58 122.49 3hfi h GLU 118 Ca -0.01 -0.27 -0.07 0.00 -0.13 0.00 0.00 59.36 58.88 3hfi h GLU 118 Cb 0.62 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 3hfi h GLU 118 CO 0.01 0.85 0.13 0.00 -0.73 0.00 0.00 179.01 179.28 3hfi h ARG 119 N 0.24 1.08 -0.55 1.92 3.08 -1.85 -2.91 114.38 115.38 3hfi h ARG 119 Ca 0.04 -0.28 0.11 0.00 0.07 0.00 0.00 59.98 59.92 3hfi h ARG 119 Cb 0.74 -0.13 -0.09 0.00 0.08 0.00 0.00 29.97 30.57 3hfi h ARG 119 CO 0.05 0.98 -0.01 0.78 -1.07 0.00 0.00 179.97 180.70 3hfi h GLY 120 N 1.00 0.56 1.19 0.04 0.00 -0.47 -1.71 103.07 103.68 3hfi h GLY 120 Ca 0.20 0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 3hfi h GLY 120 CO 0.01 -0.17 0.42 0.45 0.00 0.00 0.00 176.54 177.25 3hfi h HIS 121 N 0.11 1.05 -0.03 5.60 3.86 -0.94 0.45 115.15 125.24 3hfi h HIS 121 Ca 0.28 -0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.41 3hfi h HIS 121 Cb 0.44 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 3hfi h HIS 121 CO -0.35 0.73 -0.28 0.74 0.86 0.00 0.00 177.93 179.63 3hfi h PHE 122 N 1.07 0.06 -0.01 2.45 0.04 -1.15 -3.20 116.94 116.20 3hfi h PHE 122 Ca 0.27 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.03 3hfi h PHE 122 Cb 0.03 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.16 3hfi h PHE 122 CO 0.01 0.33 -0.19 1.28 -0.60 0.00 0.00 178.31 179.14 3hfi n LEU 123 N -4.19 1.75 0.00 1.54 4.77 -0.55 -4.97 117.00 115.35 3hfi n LEU 123 Ca -0.02 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.11 3hfi n LEU 123 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3hfi n LEU 123 CO 0.38 0.33 0.00 0.47 -1.33 0.00 0.00 177.39 177.24 3hfi n ASP 124 N 0.19 0.00 -2.28 -1.43 8.00 0.15 -4.97 116.55 116.21 3hfi n ASP 124 Ca 0.07 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.35 3hfi n ASP 124 Cb 0.32 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.42 3hfi n ASP 124 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3hfi n ILE 125 N 0.00 0.33 -2.04 0.53 -0.00 -1.18 -4.74 119.36 112.26 3hfi n ILE 125 Ca 0.00 -0.26 -0.42 0.00 -0.00 0.00 0.00 62.75 62.06 3hfi n ILE 125 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 39.61 3hfi n ILE 125 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 3hfi s SER 126 N -0.53 6.70 1.01 4.38 1.04 -1.26 -4.53 113.70 120.51 3hfi s SER 126 Ca 0.31 2.47 -0.18 0.00 0.48 0.00 0.00 55.95 59.03 3hfi s SER 126 Cb -0.34 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.16 3hfi s SER 126 CO 0.33 -0.75 -0.36 -1.84 0.98 0.00 0.00 173.24 171.60 3hfi n GLU 127 N 4.13 -0.49 -0.41 4.02 0.28 -1.26 0.36 120.64 127.26 3hfi n GLU 127 Ca 0.13 -0.12 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3hfi n GLU 127 Cb 0.40 -1.44 0.00 0.00 1.43 0.00 0.00 31.44 31.83 3hfi n GLU 127 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3hfi n ASP 128 N 0.71 0.00 -4.75 -1.84 8.00 -1.26 -4.93 116.55 112.47 3hfi n ASP 128 Ca 0.01 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.14 3hfi n ASP 128 Cb 0.60 -2.28 0.03 0.00 -0.02 0.00 0.00 41.12 39.46 3hfi n ASP 128 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hfi s ALA 129 N -0.97 2.75 0.05 2.24 0.00 0.16 -4.74 121.76 121.25 3hfi s ALA 129 Ca 0.00 1.14 -0.26 0.00 0.00 0.00 0.00 51.96 52.85 3hfi s ALA 129 Cb 0.00 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 3hfi s ALA 129 CO 0.00 -1.16 0.79 -1.25 0.00 0.00 0.00 175.76 174.14 3hfi s PRO 130 N -3.01 4.52 0.22 0.00 0.04 -1.26 -0.32 135.00 135.19 3hfi s PRO 130 Ca 0.72 1.11 0.06 0.00 0.04 0.00 0.00 61.00 62.93 3hfi s PRO 130 Cb -0.35 -3.37 -0.05 0.00 0.04 0.00 0.00 34.50 30.78 3hfi s PRO 130 CO 0.40 0.27 -0.09 0.14 0.04 0.00 0.00 177.00 177.76 3hfi s VAL 131 N -0.04 1.46 -0.07 -0.36 -7.23 0.12 -4.88 120.40 109.39 3hfi s VAL 131 Ca 0.40 -2.13 -0.30 0.00 -1.81 0.00 0.00 61.98 58.14 3hfi s VAL 131 Cb -0.21 -2.16 -0.02 0.00 0.56 0.00 0.00 36.38 34.55 3hfi s VAL 131 CO 0.24 -0.50 1.01 -0.22 -0.31 0.00 0.00 175.10 175.31 3hfi s LEU 132 N -3.31 4.28 -0.13 1.32 2.96 -0.44 -1.47 118.68 121.89 3hfi s LEU 132 Ca 0.24 1.59 -0.03 0.00 -0.22 0.00 0.00 54.13 55.71 3hfi s LEU 132 Cb 0.02 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.13 3hfi s LEU 132 CO 0.07 -0.40 -0.05 -2.28 -1.32 0.00 0.00 176.35 172.37 3hfi s HIS 133 N 1.72 3.00 -0.07 5.38 5.65 0.12 -0.74 115.29 130.35 3hfi s HIS 133 Ca 0.50 -0.24 0.05 0.00 0.25 0.00 0.00 55.06 55.62 3hfi s HIS 133 Cb -0.19 -1.90 -0.01 0.00 -1.18 0.00 0.00 32.58 29.30 3hfi s HIS 133 CO 0.21 0.04 -0.24 -1.17 -0.65 0.00 0.00 174.74 172.93 3hfi s LEU 134 N 0.09 2.11 -0.14 8.88 0.20 -0.35 -0.19 118.68 129.28 3hfi s LEU 134 Ca -0.01 -0.51 -0.05 0.00 0.69 0.00 0.00 54.13 54.25 3hfi s LEU 134 Cb -0.14 -1.39 -0.03 0.00 -0.43 0.00 0.00 46.19 44.20 3hfi s LEU 134 CO 0.03 0.22 0.01 -1.61 -0.29 0.00 0.00 176.35 174.72 3hfi s GLU 135 N -0.04 3.59 -0.05 1.98 2.02 -0.38 -0.39 118.70 125.44 3hfi s GLU 135 Ca -0.07 -0.41 0.02 0.00 0.02 0.00 0.00 54.97 54.52 3hfi s GLU 135 Cb -0.15 -3.00 0.02 0.00 0.10 0.00 0.00 34.13 31.10 3hfi s GLU 135 CO 0.05 0.40 -0.07 -1.14 0.02 0.00 0.00 175.26 174.52 3hfi s GLN 136 N -0.03 1.08 -0.15 1.61 0.74 0.39 -1.05 119.66 122.26 3hfi s GLN 136 Ca 0.04 -0.22 -0.02 0.00 0.05 0.00 0.00 55.36 55.21 3hfi s GLN 136 Cb -0.13 -0.99 -0.02 0.00 1.10 0.00 0.00 33.01 32.97 3hfi s GLN 136 CO 0.02 -0.02 -0.08 -1.17 -0.55 0.00 0.00 175.29 173.49 3hfi s LEU 137 N 0.70 2.97 -0.09 3.68 2.96 -0.02 -0.55 118.68 128.34 3hfi s LEU 137 Ca -0.11 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.59 3hfi s LEU 137 Cb -0.14 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.84 3hfi s LEU 137 CO 0.01 0.16 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.32 3hfi s VAL 138 N 0.42 2.55 0.02 1.68 1.01 -0.10 -1.11 120.40 124.86 3hfi s VAL 138 Ca -0.07 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.10 3hfi s VAL 138 Cb -0.15 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 3hfi s VAL 138 CO 0.04 0.56 -0.18 -0.36 0.00 0.00 0.00 175.10 175.16 3hfi s PHE 139 N 0.01 1.59 -0.01 5.22 0.08 0.52 -0.78 117.98 124.62 3hfi s PHE 139 Ca -0.07 -0.34 -0.20 0.00 0.12 0.00 0.00 56.93 56.44 3hfi s PHE 139 Cb -0.15 -0.98 -0.27 0.00 -0.57 0.00 0.00 43.02 41.06 3hfi s PHE 139 CO 0.05 0.03 1.02 0.74 -0.10 0.00 0.00 175.22 176.97 3hfi h PHE 140 N 5.20 0.61 -4.39 0.36 0.04 -1.41 -1.91 116.94 115.45 3hfi h PHE 140 Ca -0.39 -0.38 -0.24 0.00 2.80 0.00 0.00 57.97 59.76 3hfi h PHE 140 Cb 1.16 -0.05 -0.15 0.00 2.20 0.00 0.00 35.95 39.11 3hfi h PHE 140 CO 0.47 1.23 -0.63 -1.54 -0.60 0.00 0.00 178.31 177.24 3hfi s SER 141 N -6.88 0.39 0.50 2.17 1.04 -1.21 -3.87 113.70 105.85 3hfi s SER 141 Ca -0.13 -1.32 0.23 0.00 0.48 0.00 0.00 55.95 55.21 3hfi s SER 141 Cb 0.03 0.31 1.30 0.00 0.10 0.00 0.00 66.02 67.76 3hfi s SER 141 CO 0.83 -0.77 1.96 -0.09 0.98 0.00 0.00 173.24 176.15 3hfi h ARG 142 N 2.68 0.12 -0.38 4.02 2.43 -1.98 -0.78 114.38 120.49 3hfi h ARG 142 Ca -0.36 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 3hfi h ARG 142 Cb 1.23 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3hfi h ARG 142 CO 0.56 0.08 0.00 0.39 -1.51 0.00 0.00 179.97 179.49 3hfi n GLU 143 N -4.40 2.36 -3.61 0.20 4.71 -1.26 -4.81 120.64 113.83 3hfi n GLU 143 Ca 0.12 -2.12 -0.29 0.00 -0.01 0.00 0.00 57.16 54.86 3hfi n GLU 143 Cb 0.62 -1.41 -0.12 0.00 -1.01 0.00 0.00 31.44 29.52 3hfi n GLU 143 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 3hfi s LEU 144 N -1.17 2.26 0.60 -4.62 2.96 -0.30 -5.07 118.68 113.34 3hfi s LEU 144 Ca 0.32 -2.72 -0.19 0.00 -0.22 0.00 0.00 54.13 51.33 3hfi s LEU 144 Cb 0.18 -0.83 -0.03 0.00 0.50 0.00 0.00 46.19 46.00 3hfi s LEU 144 CO 0.25 -0.24 1.21 -2.84 -1.32 0.00 0.00 176.35 173.41 3hfi s PRO 145 N 0.30 2.94 0.00 0.98 0.02 -1.26 -1.27 135.00 136.70 3hfi s PRO 145 Ca 0.21 1.84 0.00 0.00 0.02 0.00 0.00 61.00 63.07 3hfi s PRO 145 Cb -0.17 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.43 3hfi s PRO 145 CO -0.05 -1.24 0.00 1.55 -0.33 0.00 0.00 177.00 176.94 3hfi n VAL 146 N -1.62 0.00 -3.74 3.83 3.14 0.04 -4.78 118.33 115.20 3hfi n VAL 146 Ca 0.14 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.38 3hfi n VAL 146 Cb 0.49 -0.50 -0.10 0.00 -1.06 0.00 0.00 33.84 32.68 3hfi n VAL 146 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 3hfi s GLU 147 N -1.72 0.54 -0.20 1.45 -6.30 -1.08 -1.17 118.70 110.24 3hfi s GLU 147 Ca 0.00 0.32 -0.01 0.00 -2.50 0.00 0.00 54.97 52.78 3hfi s GLU 147 Cb 0.00 0.26 0.06 0.00 0.00 0.00 0.00 34.13 34.44 3hfi s GLU 147 CO 0.00 -0.10 -0.00 0.12 0.02 0.00 0.00 175.26 175.29 3hfi s PHE 148 N -0.29 1.48 0.02 5.30 5.36 0.29 -0.92 117.98 129.21 3hfi s PHE 148 Ca -0.04 -1.10 0.04 0.00 -0.96 0.00 0.00 56.93 54.87 3hfi s PHE 148 Cb -0.03 -1.21 -0.03 0.00 -0.34 0.00 0.00 43.02 41.41 3hfi s PHE 148 CO 0.02 -0.64 -0.10 0.20 -1.46 0.00 0.00 175.22 173.24 3hfi s GLY 149 N 1.71 1.71 -0.14 13.12 0.00 0.29 -1.05 107.32 122.96 3hfi s GLY 149 Ca -0.02 -1.08 0.01 0.00 0.00 0.00 0.00 44.72 43.64 3hfi s GLY 149 CO -0.07 -0.95 -0.18 -1.31 0.00 0.00 0.00 173.10 170.59 3hfi s ASN 150 N -1.47 3.51 -0.04 1.64 0.01 -0.08 -0.46 114.94 118.04 3hfi s ASN 150 Ca 0.17 -0.50 0.05 0.00 -0.71 0.00 0.00 52.86 51.88 3hfi s ASN 150 Cb -0.11 -1.52 -0.01 0.00 0.41 0.00 0.00 41.25 40.02 3hfi s ASN 150 CO 0.07 0.10 -0.21 -0.69 -1.51 0.00 0.00 177.10 174.86 3hfi s VAL 151 N 0.71 1.74 -0.28 1.60 1.01 0.48 -0.84 120.40 124.83 3hfi s VAL 151 Ca -0.08 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.01 3hfi s VAL 151 Cb -0.16 -1.47 0.05 0.00 0.00 0.00 0.00 36.38 34.80 3hfi s VAL 151 CO 0.01 0.49 -0.06 0.26 0.00 0.00 0.00 175.10 175.80 3hfi s TRP 152 N -0.15 3.25 -0.13 5.22 0.52 0.11 -1.21 118.94 126.55 3hfi s TRP 152 Ca -0.01 -2.08 0.01 0.00 0.02 0.00 0.00 56.10 54.04 3hfi s TRP 152 Cb -0.12 -2.02 -0.00 0.00 -1.15 0.00 0.00 33.47 30.18 3hfi s TRP 152 CO 0.02 -0.84 -0.17 -0.51 0.02 0.00 0.00 176.95 175.48 3hfi s LEU 153 N 1.18 2.45 0.00 2.99 1.02 0.08 -1.56 118.68 124.84 3hfi s LEU 153 Ca -0.07 -0.45 0.22 0.00 0.02 0.00 0.00 54.13 53.85 3hfi s LEU 153 Cb -0.20 -1.54 0.19 0.00 0.02 0.00 0.00 46.19 44.67 3hfi s LEU 153 CO -0.03 0.13 1.21 1.17 0.02 0.00 0.00 176.35 178.85 3hfi n LYS 154 N 3.78 2.10 0.00 1.70 4.81 -1.23 -1.33 118.16 127.99 3hfi n LYS 154 Ca -0.19 -1.85 0.00 0.00 -0.87 0.00 0.00 58.31 55.40 3hfi n LYS 154 Cb 0.52 -1.43 0.00 0.00 0.02 0.00 0.00 35.03 34.14 3hfi n LYS 154 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hfi n GLY 155 N 1.26 0.22 3.58 3.14 0.00 -1.26 -4.87 105.19 107.26 3hfi n GLY 155 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 3hfi n GLY 155 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hfi s ASN 156 N -0.30 -0.71 0.31 1.61 2.47 -1.26 -4.87 114.94 112.19 3hfi s ASN 156 Ca 0.00 1.17 -0.10 0.00 0.42 0.00 0.00 52.86 54.34 3hfi s ASN 156 Cb 0.00 1.11 -0.09 0.00 -1.45 0.00 0.00 41.25 40.83 3hfi s ASN 156 CO 0.00 -0.39 -0.10 0.29 -3.72 0.00 0.00 177.10 173.18 3hfi n LYS 157 N 2.01 0.00 -0.00 0.43 5.02 -1.26 -4.89 118.16 119.47 3hfi n LYS 157 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 3hfi n LYS 157 Cb 0.56 -0.57 0.00 0.00 -0.02 0.00 0.00 35.03 35.00 3hfi n LYS 157 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3hfi n TYR 158 N -0.90 0.00 1.43 2.13 4.01 -1.26 -4.87 117.16 117.70 3hfi n TYR 158 Ca 0.04 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.93 3hfi n TYR 158 Cb 0.27 0.07 0.71 0.00 -0.31 0.00 0.00 39.34 40.08 3hfi n TYR 158 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 3hfi n TYR 159 N 0.00 0.00 -3.72 -0.72 0.18 -1.26 -4.81 117.16 106.83 3hfi n TYR 159 Ca 0.00 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.41 3hfi n TYR 159 Cb 0.01 -0.24 -0.06 0.00 -0.38 0.00 0.00 39.34 38.67 3hfi n TYR 159 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3hfi s LEU 160 N -2.53 4.40 0.00 -3.48 1.43 -1.26 -5.17 118.68 112.07 3hfi s LEU 160 Ca 0.29 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 54.01 3hfi s LEU 160 Cb 0.20 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 44.16 3hfi s LEU 160 CO 0.47 0.34 0.00 0.61 0.23 0.00 0.00 176.35 178.00