#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fa7 s ARG 2 N 0.00 1.41 -0.36 0.03 1.70 -1.26 -5.11 118.95 115.36 1fa7 s ARG 2 Ca 0.00 -0.61 -0.27 0.00 -0.47 0.00 0.00 55.73 54.38 1fa7 s ARG 2 Cb 0.00 0.59 0.02 0.00 -0.57 0.00 0.00 34.95 34.99 1fa7 s ARG 2 CO 0.00 -0.63 0.97 -1.17 -1.08 0.00 0.00 175.30 173.39 1fa7 s LEU 3 N -2.79 3.96 -0.14 -1.89 0.20 -1.26 -4.95 118.68 111.81 1fa7 s LEU 3 Ca 0.04 0.69 -0.15 0.00 0.69 0.00 0.00 54.13 55.40 1fa7 s LEU 3 Cb -0.02 -3.34 -0.12 0.00 -0.43 0.00 0.00 46.19 42.27 1fa7 s LEU 3 CO -0.07 -0.88 0.25 -0.07 -0.29 0.00 0.00 176.35 175.29 1fa7 h LEU 4 N 10.13 0.00 -7.77 -0.68 3.38 -1.94 -3.34 115.31 115.08 1fa7 h LEU 4 Ca -0.23 -0.41 0.11 0.00 0.09 0.00 0.00 57.88 57.44 1fa7 h LEU 4 Cb 1.07 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.75 1fa7 h LEU 4 CO 1.00 0.89 0.34 -1.38 0.09 0.00 0.00 178.44 179.37 1fa7 s HIS 5 N -2.03 -0.19 -0.16 1.13 -3.43 -1.26 -1.20 115.29 108.15 1fa7 s HIS 5 Ca -0.14 -0.18 0.02 0.00 -0.80 0.00 0.00 55.06 53.96 1fa7 s HIS 5 Cb 0.00 0.67 0.01 0.00 -1.43 0.00 0.00 32.58 31.83 1fa7 s HIS 5 CO 0.37 -1.03 -0.20 0.99 -2.00 0.00 0.00 174.74 172.87 1fa7 s THR 6 N -3.63 2.17 -0.15 -5.38 2.01 -0.69 -4.92 115.64 105.05 1fa7 s THR 6 Ca 0.11 -0.93 -0.14 0.00 0.31 0.00 0.00 61.69 61.04 1fa7 s THR 6 Cb -0.04 -1.89 -0.05 0.00 0.01 0.00 0.00 72.50 70.54 1fa7 s THR 6 CO 0.03 0.54 0.32 -0.32 -0.69 0.00 0.00 174.62 174.50 1fa7 s MET 7 N 0.97 4.26 -0.03 4.92 0.00 -1.26 -0.79 119.30 127.38 1fa7 s MET 7 Ca -0.03 0.14 0.02 0.00 0.00 0.00 0.00 55.69 55.83 1fa7 s MET 7 Cb -0.15 -3.42 0.01 0.00 0.00 0.00 0.00 34.83 31.26 1fa7 s MET 7 CO -0.05 0.23 -0.10 -0.51 0.00 0.00 0.00 175.02 174.60 1fa7 s LEU 8 N 0.47 1.75 0.03 4.11 1.43 0.38 -4.96 118.68 121.89 1fa7 s LEU 8 Ca 0.18 -0.21 -0.22 0.00 -1.03 0.00 0.00 54.13 52.85 1fa7 s LEU 8 Cb -0.13 -0.60 -0.06 0.00 0.03 0.00 0.00 46.19 45.43 1fa7 s LEU 8 CO 0.05 0.06 0.65 -0.13 0.23 0.00 0.00 176.35 177.20 1fa7 s ARG 9 N 0.28 4.36 0.20 1.70 0.52 -1.26 -1.21 118.95 123.55 1fa7 s ARG 9 Ca -0.05 0.84 0.10 0.00 -0.52 0.00 0.00 55.73 56.11 1fa7 s ARG 9 Cb -0.10 -3.33 -0.04 0.00 0.52 0.00 0.00 34.95 32.00 1fa7 s ARG 9 CO 0.01 0.39 -0.14 0.14 0.02 0.00 0.00 175.30 175.72 1fa7 s VAL 10 N -0.33 2.87 -0.33 3.52 -7.23 0.83 -4.87 120.40 114.85 1fa7 s VAL 10 Ca 0.33 -1.88 0.20 0.00 -1.81 0.00 0.00 61.98 58.82 1fa7 s VAL 10 Cb -0.19 -2.43 0.24 0.00 0.56 0.00 0.00 36.38 34.56 1fa7 s VAL 10 CO 0.19 -0.17 1.56 1.23 -0.31 0.00 0.00 175.10 177.60 1fa7 h GLY 11 N 2.83 0.00 -6.09 2.32 0.00 -1.81 -3.41 103.07 96.90 1fa7 h GLY 11 Ca -0.46 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.80 1fa7 h GLY 11 CO 0.53 0.00 -0.38 -0.35 0.00 0.00 0.00 176.54 176.34 1fa7 s ASP 12 N -6.29 -0.32 0.08 0.19 -1.08 -1.26 -4.23 116.67 103.76 1fa7 s ASP 12 Ca 0.06 0.68 -0.35 0.00 -0.52 0.00 0.00 52.55 52.42 1fa7 s ASP 12 Cb 0.06 1.48 -0.18 0.00 -1.46 0.00 0.00 42.92 42.81 1fa7 s ASP 12 CO 0.69 -0.27 1.58 0.25 0.52 0.00 0.00 175.17 177.95 1fa7 h LEU 13 N 8.13 -1.14 -0.83 -1.34 5.85 -1.94 -2.20 115.31 121.85 1fa7 h LEU 13 Ca -0.19 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.66 1fa7 h LEU 13 Cb 1.14 0.34 -0.06 0.00 0.37 0.00 0.00 40.66 42.44 1fa7 h LEU 13 CO 0.21 -0.68 0.51 -0.61 -0.34 0.00 0.00 178.44 177.53 1fa7 h GLN 14 N -1.08 0.90 -0.58 1.25 5.75 -1.99 0.14 115.11 119.50 1fa7 h GLN 14 Ca -0.09 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.36 1fa7 h GLN 14 Cb 0.87 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 29.19 1fa7 h GLN 14 CO 0.08 0.60 0.38 -0.09 -2.65 0.00 0.00 178.83 177.14 1fa7 h ARG 15 N 0.93 0.76 -0.09 1.69 2.43 -1.98 0.85 114.38 118.98 1fa7 h ARG 15 Ca 0.36 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.44 1fa7 h ARG 15 Cb 0.18 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1fa7 h ARG 15 CO -0.18 0.51 -0.13 1.03 -1.51 0.00 0.00 179.97 179.69 1fa7 h SER 16 N 0.79 0.27 0.05 -3.80 0.87 -0.55 -2.29 113.55 108.89 1fa7 h SER 16 Ca 0.21 -0.53 0.02 0.00 -1.23 0.00 0.00 61.79 60.27 1fa7 h SER 16 Cb -0.09 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 61.76 1fa7 h SER 16 CO -0.05 0.75 -0.24 0.40 -0.53 0.00 0.00 176.83 177.17 1fa7 h ILE 17 N -0.20 0.46 -0.82 2.23 2.04 -0.21 -1.96 117.51 119.05 1fa7 h ILE 17 Ca 0.01 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.07 1fa7 h ILE 17 Cb 0.69 0.46 -0.14 0.00 -0.74 0.00 0.00 36.82 37.10 1fa7 h ILE 17 CO 0.03 0.00 0.13 0.44 0.00 0.00 0.00 178.15 178.75 1fa7 h ASP 18 N -0.40 -0.16 0.41 1.72 3.32 -0.84 -0.88 116.42 119.59 1fa7 h ASP 18 Ca 0.05 0.20 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 1fa7 h ASP 18 Cb 0.45 0.30 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1fa7 h ASP 18 CO -0.18 -0.16 -0.20 0.15 -1.72 0.00 0.00 179.24 177.13 1fa7 h PHE 19 N 0.17 -0.51 -0.50 4.55 3.57 -0.89 0.34 116.94 123.67 1fa7 h PHE 19 Ca 0.49 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 62.04 1fa7 h PHE 19 Cb 0.92 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.80 1fa7 h PHE 19 CO -0.34 -0.18 0.34 1.88 -2.23 0.00 0.00 178.31 177.78 1fa7 h TYR 20 N -0.91 0.41 0.00 0.41 -1.99 -1.02 0.25 116.97 114.11 1fa7 h TYR 20 Ca -0.06 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.68 1fa7 h TYR 20 Cb 0.56 -0.13 0.00 0.00 2.00 0.00 0.00 36.73 39.15 1fa7 h TYR 20 CO 0.02 0.21 -0.20 0.25 -0.00 0.00 0.00 178.16 178.44 1fa7 n THR 21 N -4.47 0.52 0.24 -2.88 -2.24 -0.37 -0.30 114.28 104.78 1fa7 n THR 21 Ca 0.07 0.40 0.10 0.00 -2.27 0.00 0.00 64.05 62.35 1fa7 n THR 21 Cb 0.28 -1.83 0.62 0.00 -2.10 0.00 0.00 70.33 67.31 1fa7 n THR 21 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1fa7 h LYS 22 N -0.37 0.00 0.00 -0.78 1.57 -1.02 0.06 116.57 116.04 1fa7 h LYS 22 Ca 0.00 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.37 1fa7 h LYS 22 Cb 0.20 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.45 1fa7 h LYS 22 CO 0.00 0.17 -2.38 0.28 -0.57 0.00 0.00 179.45 176.95 1fa7 n VAL 23 N -3.79 1.36 1.12 0.50 0.31 -0.06 -4.57 118.33 113.19 1fa7 n VAL 23 Ca -0.02 -0.36 0.13 0.00 -0.01 0.00 0.00 64.34 64.08 1fa7 n VAL 23 Cb 0.27 -1.79 0.45 0.00 -0.91 0.00 0.00 33.84 31.86 1fa7 n VAL 23 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1fa7 n LEU 24 N -4.03 0.40 0.00 7.52 4.77 -0.42 -4.87 117.00 120.37 1fa7 n LEU 24 Ca -0.48 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 1fa7 n LEU 24 Cb 0.86 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1fa7 n LEU 24 CO 0.04 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 1fa7 n GLY 25 N 1.44 0.46 3.92 -0.72 0.00 0.00 -4.94 105.19 105.35 1fa7 n GLY 25 Ca 0.09 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 45.18 1fa7 n GLY 25 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1fa7 s MET 26 N -1.21 1.69 0.13 1.61 -1.94 0.59 -4.92 119.30 115.25 1fa7 s MET 26 Ca 0.00 -0.19 0.11 0.00 -1.71 0.00 0.00 55.69 53.90 1fa7 s MET 26 Cb 0.00 -2.01 -0.04 0.00 2.01 0.00 0.00 34.83 34.79 1fa7 s MET 26 CO 0.00 -1.69 -0.27 -1.59 -0.01 0.00 0.00 175.02 171.46 1fa7 s LYS 27 N -5.54 1.41 -0.55 2.03 -2.85 -0.12 -4.09 119.74 110.04 1fa7 s LYS 27 Ca 0.65 -1.35 -0.28 0.00 -1.00 0.00 0.00 55.97 53.98 1fa7 s LYS 27 Cb -0.09 -1.90 0.02 0.00 -2.06 0.00 0.00 37.83 33.81 1fa7 s LYS 27 CO 0.48 0.45 1.25 -1.17 0.10 0.00 0.00 175.35 176.46 1fa7 s LEU 28 N -2.09 3.47 -0.05 2.77 2.96 -1.26 -1.66 118.68 122.82 1fa7 s LEU 28 Ca 0.14 0.25 -0.23 0.00 -0.22 0.00 0.00 54.13 54.07 1fa7 s LEU 28 Cb -0.10 -3.23 -0.27 0.00 0.50 0.00 0.00 46.19 43.09 1fa7 s LEU 28 CO 0.06 -1.50 0.95 -0.07 -1.32 0.00 0.00 176.35 174.48 1fa7 h LEU 29 N 12.10 0.36 -7.00 -0.68 3.38 -1.16 -3.49 115.31 118.82 1fa7 h LEU 29 Ca -0.25 -0.88 0.17 0.00 0.09 0.00 0.00 57.88 57.01 1fa7 h LEU 29 Cb 1.07 -0.11 -0.21 0.00 0.09 0.00 0.00 40.66 41.50 1fa7 h LEU 29 CO 1.17 1.20 0.68 0.00 0.09 0.00 0.00 178.44 181.58 1fa7 s ARG 30 N -2.73 0.47 0.03 1.13 1.70 -1.14 -4.98 118.95 113.42 1fa7 s ARG 30 Ca -0.15 -0.05 0.01 0.00 -0.47 0.00 0.00 55.73 55.07 1fa7 s ARG 30 Cb 0.01 0.22 -0.02 0.00 -0.57 0.00 0.00 34.95 34.58 1fa7 s ARG 30 CO 0.79 -0.18 -0.05 -0.08 -1.08 0.00 0.00 175.30 174.70 1fa7 s THR 31 N -1.91 0.28 0.04 4.99 -1.32 -1.26 0.56 115.64 117.03 1fa7 s THR 31 Ca 0.05 -1.01 -0.11 0.00 -1.21 0.00 0.00 61.69 59.41 1fa7 s THR 31 Cb -0.01 -0.44 0.01 0.00 -1.51 0.00 0.00 72.50 70.55 1fa7 s THR 31 CO -0.04 -0.47 0.23 -0.94 -2.21 0.00 0.00 174.62 171.19 1fa7 s SER 32 N -1.57 -0.02 -0.01 8.08 1.04 0.96 -4.97 113.70 117.21 1fa7 s SER 32 Ca -0.13 -0.32 0.06 0.00 0.48 0.00 0.00 55.95 56.04 1fa7 s SER 32 Cb -0.09 0.31 -0.02 0.00 0.10 0.00 0.00 66.02 66.33 1fa7 s SER 32 CO -0.01 -0.58 -0.18 -0.70 0.98 0.00 0.00 173.24 172.75 1fa7 s GLU 33 N -2.61 1.43 -0.48 4.02 2.12 -1.26 1.00 118.70 122.92 1fa7 s GLU 33 Ca -0.05 -0.68 0.03 0.00 0.36 0.00 0.00 54.97 54.64 1fa7 s GLU 33 Cb -0.01 -1.40 0.13 0.00 0.26 0.00 0.00 34.13 33.11 1fa7 s GLU 33 CO -0.04 0.38 0.23 1.21 -0.54 0.00 0.00 175.26 176.50 1fa7 s ASN 34 N -0.52 4.17 0.16 -1.70 3.84 0.15 -4.97 114.94 116.06 1fa7 s ASN 34 Ca 0.07 -2.80 -0.16 0.00 0.21 0.00 0.00 52.86 50.18 1fa7 s ASN 34 Cb -0.07 -1.46 0.08 0.00 -0.55 0.00 0.00 41.25 39.25 1fa7 s ASN 34 CO -0.00 -0.26 1.73 -0.65 -2.79 0.00 0.00 177.10 175.12 1fa7 h PRO 35 N 6.70 0.18 -0.31 0.43 0.11 -1.97 0.11 132.00 137.24 1fa7 h PRO 35 Ca -0.06 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.10 1fa7 h PRO 35 Cb 0.92 -0.04 -0.08 0.00 0.11 0.00 0.00 31.00 31.90 1fa7 h PRO 35 CO 0.61 0.12 -0.43 1.49 -0.21 0.00 0.00 178.00 179.58 1fa7 h GLU 36 N 0.18 -0.37 -0.05 1.05 4.81 -1.95 -2.27 114.58 115.99 1fa7 h GLU 36 Ca 0.17 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1fa7 h GLU 36 Cb 0.20 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1fa7 h GLU 36 CO -0.23 -0.25 0.00 0.66 -0.73 0.00 0.00 179.01 178.46 1fa7 n TYR 37 N -5.42 0.05 -3.32 0.92 4.02 -1.16 -4.98 117.16 107.27 1fa7 n TYR 37 Ca -0.02 -0.02 -0.16 0.00 -0.01 0.00 0.00 57.90 57.69 1fa7 n TYR 37 Cb 0.35 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.75 1fa7 n TYR 37 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1fa7 n LYS 38 N 0.19 -5.10 -3.74 -0.72 5.02 0.34 -4.93 118.16 109.22 1fa7 n LYS 38 Ca 0.18 0.82 -0.11 0.00 -2.02 0.00 0.00 58.31 57.19 1fa7 n LYS 38 Cb 0.35 -5.72 -0.07 0.00 -0.02 0.00 0.00 35.03 29.56 1fa7 n LYS 38 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1fa7 s TYR 39 N -3.36 -0.09 0.06 2.13 -0.85 -1.01 -0.90 117.35 113.32 1fa7 s TYR 39 Ca 0.13 -0.12 0.06 0.00 -0.52 0.00 0.00 57.07 56.63 1fa7 s TYR 39 Cb -0.02 0.11 -0.03 0.00 0.38 0.00 0.00 41.96 42.41 1fa7 s TYR 39 CO 0.71 -0.55 -0.18 -1.12 -1.52 0.00 0.00 175.55 172.88 1fa7 s SER 40 N -2.33 2.14 0.11 -0.18 0.01 0.20 0.32 113.70 113.98 1fa7 s SER 40 Ca -0.02 -0.54 0.05 0.00 1.31 0.00 0.00 55.95 56.75 1fa7 s SER 40 Cb 0.01 -0.14 -0.04 0.00 0.21 0.00 0.00 66.02 66.06 1fa7 s SER 40 CO -0.06 0.08 -0.14 -0.76 0.41 0.00 0.00 173.24 172.77 1fa7 s LEU 41 N -1.36 2.38 -0.14 2.44 1.43 0.28 -0.27 118.68 123.45 1fa7 s LEU 41 Ca 0.04 -0.78 -0.07 0.00 -1.03 0.00 0.00 54.13 52.29 1fa7 s LEU 41 Cb -0.09 -0.51 0.05 0.00 0.03 0.00 0.00 46.19 45.67 1fa7 s LEU 41 CO 0.02 -0.15 0.32 0.00 0.23 0.00 0.00 176.35 176.78 1fa7 s ALA 42 N -2.04 -0.79 -0.24 4.21 0.00 -0.78 -0.03 121.76 122.08 1fa7 s ALA 42 Ca 0.07 1.25 -0.07 0.00 0.00 0.00 0.00 51.96 53.20 1fa7 s ALA 42 Cb -0.05 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.23 1fa7 s ALA 42 CO 0.02 -0.26 0.07 -0.06 0.00 0.00 0.00 175.76 175.53 1fa7 s PHE 43 N 1.42 3.11 0.03 0.00 0.40 0.19 -1.10 117.98 122.03 1fa7 s PHE 43 Ca -0.09 -0.33 0.07 0.00 -0.60 0.00 0.00 56.93 55.98 1fa7 s PHE 43 Cb -0.10 -2.22 -0.03 0.00 0.51 0.00 0.00 43.02 41.18 1fa7 s PHE 43 CO -0.11 -0.28 -0.20 0.14 0.70 0.00 0.00 175.22 175.47 1fa7 s VAL 44 N 1.44 2.63 0.04 -0.44 -7.23 -0.16 -0.55 120.40 116.13 1fa7 s VAL 44 Ca 0.06 -1.18 -0.28 0.00 -1.81 0.00 0.00 61.98 58.77 1fa7 s VAL 44 Cb -0.15 -2.07 0.10 0.00 0.56 0.00 0.00 36.38 34.82 1fa7 s VAL 44 CO 0.04 0.38 1.20 -0.83 -0.31 0.00 0.00 175.10 175.58 1fa7 s GLY 45 N -1.27 -0.21 0.14 2.32 0.00 -0.67 -0.99 107.32 106.65 1fa7 s GLY 45 Ca 0.13 0.23 0.24 0.00 0.00 0.00 0.00 44.72 45.33 1fa7 s GLY 45 CO 0.04 2.21 1.35 -0.97 0.00 0.00 0.00 173.10 175.72 1fa7 h TYR 46 N 2.00 0.00 -2.85 1.90 -1.99 -1.87 -0.28 116.97 113.89 1fa7 h TYR 46 Ca -0.27 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.36 1fa7 h TYR 46 Cb 1.20 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.91 1fa7 h TYR 46 CO 0.86 0.00 -0.01 0.41 -0.00 0.00 0.00 178.16 179.41 1fa7 n GLY 47 N 1.31 2.31 3.75 3.88 0.00 -1.26 -4.94 105.19 110.25 1fa7 n GLY 47 Ca 0.03 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 1fa7 n GLY 47 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1fa7 s PRO 48 N -2.29 4.42 0.49 1.61 0.02 -1.26 -4.86 135.00 133.12 1fa7 s PRO 48 Ca 0.12 2.08 0.24 0.00 0.02 0.00 0.00 61.00 63.47 1fa7 s PRO 48 Cb -0.01 -3.14 1.30 0.00 0.02 0.00 0.00 34.50 32.67 1fa7 s PRO 48 CO 0.09 -0.15 1.91 0.93 -0.33 0.00 0.00 177.00 179.46 1fa7 h GLU 49 N 4.25 0.16 0.00 5.54 5.08 -1.96 0.03 114.58 127.67 1fa7 h GLU 49 Ca -0.47 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 57.85 1fa7 h GLU 49 Cb 1.22 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1fa7 h GLU 49 CO 0.70 0.10 -0.13 1.79 -1.00 0.00 0.00 179.01 180.48 1fa7 h THR 50 N 0.16 0.92 0.00 1.13 1.35 -1.98 -3.21 112.91 111.28 1fa7 h THR 50 Ca 0.38 -0.47 -0.12 0.00 -0.55 0.00 0.00 66.41 65.65 1fa7 h THR 50 Cb 1.27 1.27 -0.02 0.00 -1.73 0.00 0.00 68.15 68.94 1fa7 h THR 50 CO -0.06 0.13 -1.77 -0.62 -0.25 0.00 0.00 175.52 172.94 1fa7 n GLU 51 N -4.13 1.16 -4.12 4.72 1.02 -0.11 -5.07 120.64 114.11 1fa7 n GLU 51 Ca -0.02 -0.07 -0.12 0.00 -0.02 0.00 0.00 57.16 56.93 1fa7 n GLU 51 Cb 0.21 -1.33 -0.07 0.00 -0.02 0.00 0.00 31.44 30.22 1fa7 n GLU 51 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1fa7 s GLU 52 N -2.64 1.49 0.29 3.49 -1.05 -0.58 -5.04 118.70 114.67 1fa7 s GLU 52 Ca -0.06 -1.56 -0.29 0.00 -0.15 0.00 0.00 54.97 52.91 1fa7 s GLU 52 Cb 0.06 0.37 -0.09 0.00 -0.44 0.00 0.00 34.13 34.03 1fa7 s GLU 52 CO 0.56 -0.57 1.03 0.00 0.95 0.00 0.00 175.26 177.23 1fa7 s ALA 53 N -3.85 3.32 0.19 -0.84 0.00 -1.25 -4.40 121.76 114.93 1fa7 s ALA 53 Ca 0.32 0.76 0.02 0.00 0.00 0.00 0.00 51.96 53.06 1fa7 s ALA 53 Cb 0.03 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 1fa7 s ALA 53 CO 0.14 -0.03 0.09 1.33 0.00 0.00 0.00 175.76 177.29 1fa7 n VAL 54 N 1.04 0.00 -4.88 0.00 0.24 -0.34 -4.80 118.33 109.59 1fa7 n VAL 54 Ca -0.00 -1.16 -0.33 0.00 -2.04 0.00 0.00 64.34 60.81 1fa7 n VAL 54 Cb 0.47 0.46 -0.14 0.00 -1.47 0.00 0.00 33.84 33.16 1fa7 n VAL 54 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1fa7 s ILE 55 N -2.38 3.01 -0.27 1.34 1.01 -0.16 -1.70 121.20 122.05 1fa7 s ILE 55 Ca 0.12 -0.72 -0.04 0.00 0.00 0.00 0.00 60.65 60.01 1fa7 s ILE 55 Cb 0.01 -2.20 0.01 0.00 0.01 0.00 0.00 42.46 40.29 1fa7 s ILE 55 CO 0.09 0.57 0.01 -0.70 0.00 0.00 0.00 174.94 174.91 1fa7 s GLU 56 N -0.41 3.00 -0.16 2.79 2.12 0.03 -0.99 118.70 125.07 1fa7 s GLU 56 Ca 0.05 -0.89 -0.08 0.00 0.36 0.00 0.00 54.97 54.41 1fa7 s GLU 56 Cb -0.12 -3.17 -0.04 0.00 0.26 0.00 0.00 34.13 31.05 1fa7 s GLU 56 CO 0.02 -0.40 0.11 -0.51 -0.54 0.00 0.00 175.26 173.94 1fa7 s LEU 57 N 1.42 4.15 -0.07 2.70 1.43 -0.26 -0.47 118.68 127.59 1fa7 s LEU 57 Ca 0.02 0.27 0.06 0.00 -1.03 0.00 0.00 54.13 53.44 1fa7 s LEU 57 Cb -0.17 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 1fa7 s LEU 57 CO -0.01 0.26 -0.24 -0.89 0.23 0.00 0.00 176.35 175.70 1fa7 s THR 58 N -0.16 2.03 -0.17 5.49 2.01 -0.35 -1.88 115.64 122.62 1fa7 s THR 58 Ca 0.10 -1.04 0.00 0.00 0.31 0.00 0.00 61.69 61.06 1fa7 s THR 58 Cb -0.12 -1.72 0.04 0.00 0.01 0.00 0.00 72.50 70.71 1fa7 s THR 58 CO 0.01 0.56 -0.09 -0.47 -0.69 0.00 0.00 174.62 173.94 1fa7 s TYR 59 N -0.05 2.00 -0.32 4.92 5.04 0.63 -0.12 117.35 129.46 1fa7 s TYR 59 Ca -0.07 -1.24 -0.19 0.00 -2.44 0.00 0.00 57.07 53.14 1fa7 s TYR 59 Cb -0.15 -1.47 -0.01 0.00 0.35 0.00 0.00 41.96 40.69 1fa7 s TYR 59 CO 0.05 -0.66 0.54 -0.80 -1.34 0.00 0.00 175.55 173.34 1fa7 s ASN 60 N 1.54 6.38 0.01 4.32 0.01 -1.26 0.61 114.94 126.55 1fa7 s ASN 60 Ca 0.01 0.20 -0.38 0.00 -0.71 0.00 0.00 52.86 51.98 1fa7 s ASN 60 Cb -0.15 -2.29 -0.18 0.00 0.41 0.00 0.00 41.25 39.05 1fa7 s ASN 60 CO -0.09 -0.44 1.30 0.79 -1.51 0.00 0.00 177.10 177.15 1fa7 n TRP 61 N 5.75 1.30 -0.91 2.20 8.01 -0.08 -0.60 117.44 133.10 1fa7 n TRP 61 Ca -0.04 0.78 0.00 0.00 -1.31 0.00 0.00 57.50 56.93 1fa7 n TRP 61 Cb 0.49 -2.26 0.00 0.00 -2.01 0.00 0.00 31.31 27.53 1fa7 n TRP 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1fa7 n GLY 62 N 2.39 0.84 3.23 6.99 0.00 -1.26 -4.99 105.19 112.39 1fa7 n GLY 62 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1fa7 n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fa7 s VAL 63 N -3.29 3.22 -1.15 1.61 1.01 0.23 -4.95 120.40 117.08 1fa7 s VAL 63 Ca 0.00 -1.05 0.12 0.00 0.00 0.00 0.00 61.98 61.05 1fa7 s VAL 63 Cb 0.00 -2.71 0.01 0.00 0.00 0.00 0.00 36.38 33.68 1fa7 s VAL 63 CO 0.00 0.07 0.73 -0.90 0.00 0.00 0.00 175.10 175.00 1fa7 n ASP 64 N 4.71 1.45 -3.80 3.32 5.75 -1.26 -4.59 116.55 122.13 1fa7 n ASP 64 Ca -0.15 -1.22 -0.13 0.00 -0.01 0.00 0.00 54.79 53.28 1fa7 n ASP 64 Cb 0.46 0.39 -0.10 0.00 -1.03 0.00 0.00 41.12 40.83 1fa7 n ASP 64 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1fa7 s LYS 65 N -1.42 0.43 0.38 0.11 2.47 -1.26 -4.25 119.74 116.20 1fa7 s LYS 65 Ca 0.10 0.07 0.04 0.00 -1.56 0.00 0.00 55.97 54.62 1fa7 s LYS 65 Cb 0.10 0.19 -0.04 0.00 -1.46 0.00 0.00 37.83 36.62 1fa7 s LYS 65 CO 0.27 -0.09 0.10 0.71 0.16 0.00 0.00 175.35 176.50 1fa7 s TYR 66 N -0.54 1.84 -0.34 4.03 1.51 -1.26 -5.05 117.35 117.54 1fa7 s TYR 66 Ca -0.06 -1.16 -0.09 0.00 -1.01 0.00 0.00 57.07 54.75 1fa7 s TYR 66 Cb -0.04 -1.21 0.02 0.00 -0.11 0.00 0.00 41.96 40.62 1fa7 s TYR 66 CO 0.02 -0.17 0.16 -1.21 -1.11 0.00 0.00 175.55 173.23 1fa7 s GLU 67 N -3.79 2.95 0.32 -0.62 2.02 -1.26 -4.97 118.70 113.35 1fa7 s GLU 67 Ca 0.28 -0.98 0.00 0.00 0.02 0.00 0.00 54.97 54.29 1fa7 s GLU 67 Cb 0.05 -3.59 0.53 0.00 0.10 0.00 0.00 34.13 31.23 1fa7 s GLU 67 CO 0.14 -0.59 1.96 1.25 0.02 0.00 0.00 175.26 178.04 1fa7 h LEU 68 N 8.34 0.79 0.00 1.80 5.85 -1.99 -3.49 115.31 126.61 1fa7 h LEU 68 Ca -0.28 -0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.49 1fa7 h LEU 68 Cb 1.11 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 1fa7 h LEU 68 CO 0.63 0.62 -0.12 0.61 -0.34 0.00 0.00 178.44 179.84 1fa7 n GLY 69 N -1.29 -1.82 0.16 3.75 0.00 -1.26 -4.62 105.19 100.11 1fa7 n GLY 69 Ca 0.06 -1.29 0.02 0.00 0.00 0.00 0.00 46.02 44.81 1fa7 n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fa7 n THR 70 N -1.72 0.15 -0.09 2.61 -2.24 -1.26 -4.76 114.28 106.97 1fa7 n THR 70 Ca 0.00 -0.57 -0.17 0.00 -2.27 0.00 0.00 64.05 61.04 1fa7 n THR 70 Cb 0.15 0.99 -0.11 0.00 -2.10 0.00 0.00 70.33 69.27 1fa7 n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fa7 h ALA 71 N 0.71 0.13 -2.73 6.98 0.00 -2.02 -3.46 119.26 118.88 1fa7 h ALA 71 Ca 0.00 -0.83 -0.53 0.00 0.00 0.00 0.00 54.91 53.55 1fa7 h ALA 71 Cb 0.22 0.41 0.08 0.00 0.00 0.00 0.00 17.79 18.49 1fa7 h ALA 71 CO 0.00 0.39 0.91 0.98 0.00 0.00 0.00 179.25 181.53 1fa7 n TYR 72 N -4.53 2.82 0.00 0.00 9.36 -1.26 -4.96 117.16 118.59 1fa7 n TYR 72 Ca -0.20 0.20 0.00 0.00 3.32 0.00 0.00 57.90 61.21 1fa7 n TYR 72 Cb 0.54 -2.62 0.00 0.00 -0.63 0.00 0.00 39.34 36.63 1fa7 n TYR 72 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1fa7 n GLY 73 N 2.65 0.45 3.06 2.98 0.00 -1.26 -5.06 105.19 108.01 1fa7 n GLY 73 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.14 1fa7 n GLY 73 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1fa7 n HIS 74 N -1.00 -0.41 -5.19 1.61 1.44 -1.26 -4.52 115.22 105.89 1fa7 n HIS 74 Ca 0.00 -0.59 -0.31 0.00 -2.01 0.00 0.00 57.72 54.80 1fa7 n HIS 74 Cb 0.00 0.27 -0.17 0.00 0.12 0.00 0.00 29.99 30.22 1fa7 n HIS 74 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1fa7 s ILE 75 N -2.06 1.99 -0.16 0.61 1.01 -1.17 -5.02 121.20 116.41 1fa7 s ILE 75 Ca 0.23 -1.00 -0.07 0.00 0.00 0.00 0.00 60.65 59.81 1fa7 s ILE 75 Cb -0.01 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 1fa7 s ILE 75 CO -0.00 0.55 0.07 0.00 0.00 0.00 0.00 174.94 175.56 1fa7 s ALA 76 N 0.13 3.50 0.07 9.38 0.00 -1.26 -1.59 121.76 131.98 1fa7 s ALA 76 Ca -0.12 -0.73 0.10 0.00 0.00 0.00 0.00 51.96 51.21 1fa7 s ALA 76 Cb -0.16 -1.88 -0.03 0.00 0.00 0.00 0.00 23.12 21.05 1fa7 s ALA 76 CO 0.06 0.33 -0.26 -0.51 0.00 0.00 0.00 175.76 175.38 1fa7 s LEU 77 N -0.10 2.21 0.23 0.00 1.43 0.25 -4.95 118.68 117.75 1fa7 s LEU 77 Ca 0.07 -0.63 -0.30 0.00 -1.03 0.00 0.00 54.13 52.24 1fa7 s LEU 77 Cb -0.12 -1.26 -0.09 0.00 0.03 0.00 0.00 46.19 44.75 1fa7 s LEU 77 CO 0.01 0.24 0.97 -0.94 0.23 0.00 0.00 176.35 176.85 1fa7 s SER 78 N -1.45 7.57 0.02 2.29 1.04 -1.26 -1.21 113.70 120.70 1fa7 s SER 78 Ca 0.12 1.99 0.08 0.00 0.48 0.00 0.00 55.95 58.62 1fa7 s SER 78 Cb -0.10 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.39 1fa7 s SER 78 CO 0.03 0.09 -0.23 0.54 0.98 0.00 0.00 173.24 174.65 1fa7 s VAL 79 N -1.06 1.83 0.02 5.02 0.11 0.15 -4.82 120.40 121.65 1fa7 s VAL 79 Ca 0.42 -1.16 -0.22 0.00 -2.93 0.00 0.00 61.98 58.09 1fa7 s VAL 79 Cb -0.27 -1.56 -0.16 0.00 -1.53 0.00 0.00 36.38 32.87 1fa7 s VAL 79 CO 0.33 0.35 1.33 0.44 -3.33 0.00 0.00 175.10 174.22 1fa7 h ASP 80 N 5.10 0.27 -2.67 3.54 3.32 -1.96 -3.38 116.42 120.64 1fa7 h ASP 80 Ca -0.43 -0.48 -0.52 0.00 0.02 0.00 0.00 57.03 55.62 1fa7 h ASP 80 Cb 1.15 -0.08 -0.39 0.00 0.22 0.00 0.00 39.33 40.23 1fa7 h ASP 80 CO 0.45 0.69 -0.78 0.21 -1.72 0.00 0.00 179.24 178.09 1fa7 s ASN 81 N -5.99 3.19 0.15 6.45 3.84 -1.26 -4.97 114.94 116.36 1fa7 s ASN 81 Ca -0.15 -1.49 -0.16 0.00 0.21 0.00 0.00 52.86 51.28 1fa7 s ASN 81 Cb 0.04 -0.27 0.05 0.00 -0.55 0.00 0.00 41.25 40.52 1fa7 s ASN 81 CO 0.73 -0.40 1.75 0.00 -2.79 0.00 0.00 177.10 176.39 1fa7 h ALA 82 N 8.01 0.41 -0.12 1.71 0.00 -1.93 -0.38 119.26 126.96 1fa7 h ALA 82 Ca -0.12 0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1fa7 h ALA 82 Cb 1.01 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 1fa7 h ALA 82 CO 0.38 -0.26 -0.29 0.00 0.00 0.00 0.00 179.25 179.08 1fa7 h ALA 83 N 1.22 -0.32 -0.26 0.00 0.00 -1.95 -0.29 119.26 117.66 1fa7 h ALA 83 Ca 0.16 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1fa7 h ALA 83 Cb 0.13 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1fa7 h ALA 83 CO -0.16 -0.76 0.17 1.49 0.00 0.00 0.00 179.25 179.99 1fa7 h GLU 84 N -0.37 0.33 -0.89 0.00 4.22 -1.94 -2.24 114.58 113.70 1fa7 h GLU 84 Ca 0.09 -0.02 0.08 0.00 0.08 0.00 0.00 59.36 59.60 1fa7 h GLU 84 Cb 0.51 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.62 1fa7 h GLU 84 CO -0.32 0.22 0.54 0.00 -2.18 0.00 0.00 179.01 177.26 1fa7 h ALA 85 N 1.10 1.26 -0.68 2.92 0.00 -0.65 0.66 119.26 123.86 1fa7 h ALA 85 Ca 0.10 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1fa7 h ALA 85 Cb -0.03 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 1fa7 h ALA 85 CO -0.03 0.23 0.41 0.00 0.00 0.00 0.00 179.25 179.86 1fa7 h GLU 87 N 0.79 -0.02 -0.30 0.00 4.39 -0.43 0.45 114.58 119.46 1fa7 h GLU 87 Ca 0.29 0.00 0.03 0.00 0.34 0.00 0.00 59.36 60.01 1fa7 h GLU 87 Cb 0.08 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 1fa7 h GLU 87 CO -0.13 0.02 0.13 -0.22 -1.16 0.00 0.00 179.01 177.65 1fa7 h LYS 88 N -0.06 0.26 -0.94 2.33 3.64 -0.47 0.65 116.57 121.98 1fa7 h LYS 88 Ca -0.00 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1fa7 h LYS 88 Cb 0.06 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 1fa7 h LYS 88 CO 0.00 0.17 0.62 0.82 -2.27 0.00 0.00 179.45 178.80 1fa7 h ILE 89 N 0.27 1.22 0.47 2.00 2.04 0.15 -1.05 117.51 122.62 1fa7 h ILE 89 Ca 0.13 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 1fa7 h ILE 89 Cb 0.07 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.02 1fa7 h ILE 89 CO -0.11 0.23 -0.23 -0.09 0.00 0.00 0.00 178.15 177.95 1fa7 h ARG 90 N 1.25 -0.61 0.00 2.37 2.43 0.96 -2.64 114.38 118.13 1fa7 h ARG 90 Ca 0.35 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 1fa7 h ARG 90 Cb -0.11 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1fa7 h ARG 90 CO -0.08 -0.33 0.00 0.00 -1.51 0.00 0.00 179.97 178.05 1fa7 n GLN 91 N -5.29 0.57 -0.46 0.20 10.64 0.12 -3.09 117.38 120.07 1fa7 n GLN 91 Ca -0.11 0.03 0.08 0.00 -1.83 0.00 0.00 57.00 55.17 1fa7 n GLN 91 Cb 0.30 -1.50 0.26 0.00 -0.86 0.00 0.00 30.24 28.45 1fa7 n GLN 91 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1fa7 n ASN 92 N -1.14 3.97 0.00 2.61 3.02 -0.41 -5.00 115.26 118.30 1fa7 n ASN 92 Ca 0.15 -2.93 0.00 0.00 -0.03 0.00 0.00 54.58 51.77 1fa7 n ASN 92 Cb 0.14 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 1fa7 n ASN 92 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fa7 n GLY 93 N -0.33 2.49 3.05 7.41 0.00 -1.18 -5.01 105.19 111.62 1fa7 n GLY 93 Ca 0.21 -0.72 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 1fa7 n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fa7 n GLY 94 N 0.00 -3.64 3.71 -0.02 0.00 -1.01 -4.92 105.19 99.31 1fa7 n GLY 94 Ca 0.00 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 1fa7 n GLY 94 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1fa7 s ASN 95 N -1.14 5.09 -0.37 1.61 0.01 -1.23 -4.23 114.94 114.69 1fa7 s ASN 95 Ca 0.41 -0.20 -0.05 0.00 -0.71 0.00 0.00 52.86 52.30 1fa7 s ASN 95 Cb -0.06 -1.22 0.07 0.00 0.41 0.00 0.00 41.25 40.45 1fa7 s ASN 95 CO 0.74 0.14 0.15 -0.69 -1.51 0.00 0.00 177.10 175.93 1fa7 s VAL 96 N -1.47 3.58 -0.74 1.60 1.01 -1.26 -1.50 120.40 121.62 1fa7 s VAL 96 Ca 0.27 -1.51 0.25 0.00 0.00 0.00 0.00 61.98 60.99 1fa7 s VAL 96 Cb -0.11 -3.19 0.12 0.00 0.00 0.00 0.00 36.38 33.19 1fa7 s VAL 96 CO 0.19 -0.39 1.50 0.35 0.00 0.00 0.00 175.10 176.76 1fa7 n THR 97 N 4.74 0.33 -3.31 3.92 -2.24 0.55 -4.67 114.28 113.60 1fa7 n THR 97 Ca -0.09 -0.21 -0.08 0.00 -2.27 0.00 0.00 64.05 61.39 1fa7 n THR 97 Cb 0.43 -0.22 -0.06 0.00 -2.10 0.00 0.00 70.33 68.38 1fa7 n THR 97 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1fa7 s ARG 98 N -3.11 0.40 0.53 -0.78 3.52 -0.19 -4.89 118.95 114.43 1fa7 s ARG 98 Ca 0.09 0.30 -0.21 0.00 -0.13 0.00 0.00 55.73 55.78 1fa7 s ARG 98 Cb 0.14 -0.33 -0.06 0.00 -1.56 0.00 0.00 34.95 33.14 1fa7 s ARG 98 CO 0.67 -0.89 1.10 0.39 -0.81 0.00 0.00 175.30 175.76 1fa7 n GLU 99 N 5.36 1.29 -1.69 5.12 -0.58 -1.26 -1.36 120.64 127.52 1fa7 n GLU 99 Ca -0.01 0.48 -0.44 0.00 -0.42 0.00 0.00 57.16 56.77 1fa7 n GLU 99 Cb 0.50 -2.26 -0.02 0.00 -0.57 0.00 0.00 31.44 29.08 1fa7 n GLU 99 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1fa7 n ALA 100 N -1.15 1.55 0.00 0.62 0.00 -1.26 -4.66 120.51 115.61 1fa7 n ALA 100 Ca 0.11 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1fa7 n ALA 100 Cb 0.44 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.56 1fa7 n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fa7 n GLY 101 N 2.21 0.37 3.77 0.00 0.00 -0.93 -4.95 105.19 105.66 1fa7 n GLY 101 Ca 0.11 -0.80 -0.37 0.00 0.00 0.00 0.00 46.02 44.96 1fa7 n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fa7 s PRO 102 N -2.00 3.62 0.39 1.61 0.04 -1.26 -0.41 135.00 136.99 1fa7 s PRO 102 Ca 0.00 1.83 -0.25 0.00 0.04 0.00 0.00 61.00 62.62 1fa7 s PRO 102 Cb 0.00 -2.34 -0.09 0.00 0.04 0.00 0.00 34.50 32.11 1fa7 s PRO 102 CO 0.00 -0.69 1.11 0.54 0.04 0.00 0.00 177.00 178.00 1fa7 s VAL 103 N -1.53 3.44 0.00 -0.36 0.11 0.52 -4.83 120.40 117.76 1fa7 s VAL 103 Ca 0.66 1.18 -0.37 0.00 -2.93 0.00 0.00 61.98 60.52 1fa7 s VAL 103 Cb -0.30 -3.65 -0.16 0.00 -1.53 0.00 0.00 36.38 30.74 1fa7 s VAL 103 CO 0.36 0.08 1.49 1.17 -3.33 0.00 0.00 175.10 174.87 1fa7 n LYS 104 N 0.10 1.32 -1.57 1.54 4.81 -1.26 -0.06 118.16 123.03 1fa7 n LYS 104 Ca 0.04 0.48 -0.12 0.00 -0.87 0.00 0.00 58.31 57.84 1fa7 n LYS 104 Cb 0.48 -2.15 -0.04 0.00 0.02 0.00 0.00 35.03 33.33 1fa7 n LYS 104 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1fa7 n GLY 105 N 3.10 0.94 0.00 3.14 0.00 -1.26 -4.95 105.19 106.15 1fa7 n GLY 105 Ca 0.20 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1fa7 n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fa7 n GLY 106 N -1.39 3.72 0.00 -0.02 0.00 0.91 -5.07 105.19 103.34 1fa7 n GLY 106 Ca -0.12 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1fa7 n GLY 106 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fa7 n THR 107 N 0.00 0.00 -1.67 2.61 -2.24 -1.26 -4.48 114.28 107.23 1fa7 n THR 107 Ca 0.00 0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.32 1fa7 n THR 107 Cb 0.00 -0.65 -0.04 0.00 -2.10 0.00 0.00 70.33 67.54 1fa7 n THR 107 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1fa7 n THR 108 N -1.67 0.63 -2.37 4.28 -1.04 -1.26 -4.47 114.28 108.37 1fa7 n THR 108 Ca 0.00 -0.11 -0.42 0.00 -2.04 0.00 0.00 64.05 61.48 1fa7 n THR 108 Cb 0.35 -2.03 -0.03 0.00 -1.82 0.00 0.00 70.33 66.81 1fa7 n THR 108 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1fa7 s VAL 109 N 4.09 3.96 0.06 12.58 1.01 -1.26 -0.36 120.40 140.48 1fa7 s VAL 109 Ca 0.91 1.37 -0.06 0.00 0.00 0.00 0.00 61.98 64.20 1fa7 s VAL 109 Cb -0.60 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 31.89 1fa7 s VAL 109 CO 0.48 0.06 0.12 0.27 0.00 0.00 0.00 175.10 176.02 1fa7 s ILE 110 N 1.60 0.15 0.20 2.22 -4.36 0.46 -0.26 121.20 121.21 1fa7 s ILE 110 Ca 0.59 -1.21 -0.07 0.00 -0.26 0.00 0.00 60.65 59.70 1fa7 s ILE 110 Cb -0.29 -1.14 -0.02 0.00 1.25 0.00 0.00 42.46 42.26 1fa7 s ILE 110 CO 0.27 -0.67 0.29 0.00 0.24 0.00 0.00 174.94 175.07 1fa7 s ALA 111 N -3.21 0.31 -0.05 2.27 0.00 0.05 -2.19 121.76 118.94 1fa7 s ALA 111 Ca 0.00 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 50.84 1fa7 s ALA 111 Cb 0.02 1.07 0.01 0.00 0.00 0.00 0.00 23.12 24.23 1fa7 s ALA 111 CO -0.07 -0.69 -0.11 -0.06 0.00 0.00 0.00 175.76 174.83 1fa7 s PHE 112 N -4.04 1.32 0.38 0.00 0.40 -0.46 -0.15 117.98 115.43 1fa7 s PHE 112 Ca 0.25 -0.44 0.04 0.00 -0.60 0.00 0.00 56.93 56.19 1fa7 s PHE 112 Cb 0.03 -0.96 -0.03 0.00 0.51 0.00 0.00 43.02 42.57 1fa7 s PHE 112 CO 0.06 -0.22 0.16 0.14 0.70 0.00 0.00 175.22 176.07 1fa7 s VAL 113 N 0.53 0.44 -0.03 -0.44 -7.23 0.14 -0.33 120.40 113.48 1fa7 s VAL 113 Ca -0.11 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.09 1fa7 s VAL 113 Cb -0.14 -2.40 -0.00 0.00 0.56 0.00 0.00 36.38 34.40 1fa7 s VAL 113 CO 0.03 0.00 -0.12 -1.61 -0.31 0.00 0.00 175.10 173.08 1fa7 s GLU 114 N -3.67 1.24 0.97 4.82 2.02 -0.56 0.53 118.70 124.05 1fa7 s GLU 114 Ca 0.29 -0.42 -0.16 0.00 0.02 0.00 0.00 54.97 54.70 1fa7 s GLU 114 Cb 0.03 -1.13 0.19 0.00 0.10 0.00 0.00 34.13 33.32 1fa7 s GLU 114 CO 0.18 0.18 1.26 0.16 0.02 0.00 0.00 175.26 177.05 1fa7 s ASP 115 N 0.08 3.04 0.59 -0.19 3.84 -0.34 -3.47 116.67 120.22 1fa7 s ASP 115 Ca -0.02 0.43 0.29 0.00 -0.00 0.00 0.00 52.55 53.25 1fa7 s ASP 115 Cb -0.09 -0.60 1.64 0.00 -1.38 0.00 0.00 42.92 42.49 1fa7 s ASP 115 CO 0.01 -2.80 2.07 -0.65 -0.00 0.00 0.00 175.17 173.80 1fa7 h PRO 116 N -1.68 0.00 -0.47 2.11 0.11 -1.92 -0.84 132.00 129.31 1fa7 h PRO 116 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1fa7 h PRO 116 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1fa7 h PRO 116 CO 0.43 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.97 1fa7 n ASP 117 N -3.75 3.22 0.00 -2.05 9.92 -1.26 -4.92 116.55 117.72 1fa7 n ASP 117 Ca 0.02 -1.96 0.00 0.00 -0.53 0.00 0.00 54.79 52.32 1fa7 n ASP 117 Cb 0.38 -0.31 0.00 0.00 -0.64 0.00 0.00 41.12 40.55 1fa7 n ASP 117 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1fa7 n GLY 118 N 1.47 0.75 3.77 0.44 0.00 -0.32 -5.04 105.19 106.26 1fa7 n GLY 118 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1fa7 n GLY 118 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fa7 s TYR 119 N -2.53 3.01 0.02 1.61 1.51 -1.26 -4.70 117.35 115.01 1fa7 s TYR 119 Ca 0.00 1.35 -0.27 0.00 -1.01 0.00 0.00 57.07 57.14 1fa7 s TYR 119 Cb 0.00 -3.72 -0.04 0.00 -0.11 0.00 0.00 41.96 38.09 1fa7 s TYR 119 CO 0.00 -2.03 0.87 0.21 -1.11 0.00 0.00 175.55 173.49 1fa7 s LYS 120 N -1.62 4.55 -0.10 -0.62 2.20 -1.26 -1.19 119.74 121.69 1fa7 s LYS 120 Ca 0.50 1.24 0.02 0.00 -0.36 0.00 0.00 55.97 57.37 1fa7 s LYS 120 Cb -0.40 -3.42 0.01 0.00 -1.51 0.00 0.00 37.83 32.51 1fa7 s LYS 120 CO 0.52 0.11 -0.15 0.42 -0.36 0.00 0.00 175.35 175.89 1fa7 s ILE 121 N 0.51 1.46 -0.21 5.43 1.01 0.19 -3.03 121.20 126.55 1fa7 s ILE 121 Ca 0.45 -0.63 -0.12 0.00 0.00 0.00 0.00 60.65 60.34 1fa7 s ILE 121 Cb -0.21 -1.33 -0.05 0.00 0.01 0.00 0.00 42.46 40.89 1fa7 s ILE 121 CO 0.25 0.43 0.24 -0.70 0.00 0.00 0.00 174.94 175.16 1fa7 s GLU 122 N 0.87 4.14 -0.20 2.79 2.12 -0.62 0.29 118.70 128.08 1fa7 s GLU 122 Ca -0.09 -0.08 -0.04 0.00 0.36 0.00 0.00 54.97 55.11 1fa7 s GLU 122 Cb -0.15 -3.50 -0.02 0.00 0.26 0.00 0.00 34.13 30.72 1fa7 s GLU 122 CO 0.01 0.10 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.28 1fa7 s LEU 123 N 0.93 3.02 -0.16 2.70 1.43 0.79 -0.59 118.68 126.81 1fa7 s LEU 123 Ca 0.12 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 1fa7 s LEU 123 Cb -0.13 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.33 1fa7 s LEU 123 CO 0.04 0.04 -0.18 -0.63 0.23 0.00 0.00 176.35 175.85 1fa7 s ILE 124 N 1.15 2.38 -0.84 -0.59 1.01 -0.35 -0.77 121.20 123.19 1fa7 s ILE 124 Ca 0.02 -0.86 -0.19 0.00 0.00 0.00 0.00 60.65 59.62 1fa7 s ILE 124 Cb -0.15 -1.99 0.12 0.00 0.01 0.00 0.00 42.46 40.46 1fa7 s ILE 124 CO -0.00 0.53 1.04 -0.70 0.00 0.00 0.00 174.94 175.80 1fa7 s GLU 125 N 0.93 3.45 0.00 2.79 2.12 0.64 0.30 118.70 128.93 1fa7 s GLU 125 Ca -0.04 -1.57 0.00 0.00 0.36 0.00 0.00 54.97 53.73 1fa7 s GLU 125 Cb -0.15 -4.69 0.00 0.00 0.26 0.00 0.00 34.13 29.55 1fa7 s GLU 125 CO -0.03 -1.74 0.00 0.39 -0.54 0.00 0.00 175.26 173.34 1fa7 n GLU 126 N 6.64 3.01 0.00 4.30 1.02 -1.26 -4.32 120.64 130.03 1fa7 n GLU 126 Ca 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1fa7 n GLU 126 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 1fa7 n GLU 126 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1fa7 n GLY 134 N 5.00 1.69 0.27 0.62 0.00 -1.26 -5.10 105.19 106.41 1fa7 n GLY 134 Ca 0.00 0.28 0.03 0.00 0.00 0.00 0.00 46.02 46.33 1fa7 n GLY 134 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48