#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fa8 s ARG 2 N 0.00 1.31 -0.18 0.03 1.70 -1.26 -5.12 118.95 115.43 1fa8 s ARG 2 Ca 0.00 -0.74 -0.29 0.00 -0.47 0.00 0.00 55.73 54.23 1fa8 s ARG 2 Cb 0.00 0.53 -0.01 0.00 -0.57 0.00 0.00 34.95 34.90 1fa8 s ARG 2 CO 0.00 -0.55 1.23 -1.17 -1.08 0.00 0.00 175.30 173.72 1fa8 s LEU 3 N -2.83 4.17 -0.20 -1.89 0.20 -1.26 -4.94 118.68 111.93 1fa8 s LEU 3 Ca 0.06 1.64 -0.21 0.00 0.69 0.00 0.00 54.13 56.31 1fa8 s LEU 3 Cb -0.01 -3.54 -0.18 0.00 -0.43 0.00 0.00 46.19 42.03 1fa8 s LEU 3 CO -0.07 -0.75 0.23 -0.07 -0.29 0.00 0.00 176.35 175.40 1fa8 h LEU 4 N 9.69 0.00 -7.38 -0.68 3.38 -1.95 -3.36 115.31 115.02 1fa8 h LEU 4 Ca -0.25 -0.51 0.21 0.00 0.09 0.00 0.00 57.88 57.42 1fa8 h LEU 4 Cb 1.10 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.73 1fa8 h LEU 4 CO 0.97 1.40 0.59 -1.38 0.09 0.00 0.00 178.44 180.12 1fa8 s HIS 5 N -2.34 -0.15 -0.12 1.13 -3.43 -1.26 -1.46 115.29 107.66 1fa8 s HIS 5 Ca -0.27 -0.06 0.02 0.00 -0.80 0.00 0.00 55.06 53.96 1fa8 s HIS 5 Cb 0.05 0.59 -0.00 0.00 -1.43 0.00 0.00 32.58 31.79 1fa8 s HIS 5 CO 0.57 -0.60 -0.20 0.99 -2.00 0.00 0.00 174.74 173.51 1fa8 s THR 6 N -2.99 2.39 -0.19 -5.38 2.01 -0.65 -4.93 115.64 105.90 1fa8 s THR 6 Ca 0.11 -0.89 -0.07 0.00 0.31 0.00 0.00 61.69 61.15 1fa8 s THR 6 Cb 0.00 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 1fa8 s THR 6 CO -0.02 0.54 0.06 -0.32 -0.69 0.00 0.00 174.62 174.20 1fa8 s MET 7 N 0.49 3.93 -0.03 4.92 0.00 -1.26 -0.36 119.30 126.99 1fa8 s MET 7 Ca -0.13 -0.36 0.04 0.00 0.00 0.00 0.00 55.69 55.24 1fa8 s MET 7 Cb -0.17 -3.23 -0.01 0.00 0.00 0.00 0.00 34.83 31.43 1fa8 s MET 7 CO 0.05 0.21 -0.16 -0.51 0.00 0.00 0.00 175.02 174.61 1fa8 s LEU 8 N 0.55 1.95 0.09 4.11 1.43 -0.05 -4.96 118.68 121.80 1fa8 s LEU 8 Ca 0.03 -0.31 -0.24 0.00 -1.03 0.00 0.00 54.13 52.58 1fa8 s LEU 8 Cb -0.13 -0.86 -0.06 0.00 0.03 0.00 0.00 46.19 45.17 1fa8 s LEU 8 CO 0.01 0.17 0.74 -0.13 0.23 0.00 0.00 176.35 177.37 1fa8 s ARG 9 N -0.14 4.49 0.19 1.70 0.52 -1.26 -1.11 118.95 123.33 1fa8 s ARG 9 Ca 0.01 1.05 0.11 0.00 -0.52 0.00 0.00 55.73 56.38 1fa8 s ARG 9 Cb -0.09 -3.32 -0.04 0.00 0.52 0.00 0.00 34.95 32.02 1fa8 s ARG 9 CO 0.01 0.42 -0.22 0.14 0.02 0.00 0.00 175.30 175.66 1fa8 s VAL 10 N -0.53 2.22 -0.16 3.52 -7.23 0.03 -4.87 120.40 113.37 1fa8 s VAL 10 Ca 0.36 -2.02 0.16 0.00 -1.81 0.00 0.00 61.98 58.67 1fa8 s VAL 10 Cb -0.21 -2.06 0.03 0.00 0.56 0.00 0.00 36.38 34.70 1fa8 s VAL 10 CO 0.23 -0.18 1.30 1.23 -0.31 0.00 0.00 175.10 177.38 1fa8 h GLY 11 N 3.18 0.00 -6.73 2.32 0.00 -1.81 -3.42 103.07 96.61 1fa8 h GLY 11 Ca -0.45 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.53 1fa8 h GLY 11 CO 0.49 0.00 -0.65 -0.35 0.00 0.00 0.00 176.54 176.03 1fa8 s ASP 12 N -6.26 1.72 0.11 0.19 -1.08 -1.26 -4.29 116.67 105.80 1fa8 s ASP 12 Ca 0.02 -0.48 -0.34 0.00 -0.52 0.00 0.00 52.55 51.24 1fa8 s ASP 12 Cb 0.08 0.30 -0.13 0.00 -1.46 0.00 0.00 42.92 41.71 1fa8 s ASP 12 CO 0.76 -0.35 1.56 0.25 0.52 0.00 0.00 175.17 177.91 1fa8 h LEU 13 N 8.32 -1.56 -1.26 -1.34 5.85 -1.94 -1.41 115.31 121.97 1fa8 h LEU 13 Ca -0.16 0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1fa8 h LEU 13 Cb 1.12 0.59 -0.03 0.00 0.37 0.00 0.00 40.66 42.71 1fa8 h LEU 13 CO 0.31 -0.53 0.25 -0.61 -0.34 0.00 0.00 178.44 177.52 1fa8 h GLN 14 N -0.70 0.77 -0.43 1.25 5.75 -1.98 0.12 115.11 119.88 1fa8 h GLN 14 Ca 0.01 -0.10 0.05 0.00 -0.15 0.00 0.00 58.65 58.47 1fa8 h GLN 14 Cb 0.73 -0.15 -0.05 0.00 1.07 0.00 0.00 27.48 29.09 1fa8 h GLN 14 CO -0.32 0.60 0.17 -0.09 -2.65 0.00 0.00 178.83 176.54 1fa8 h ARG 15 N 0.77 0.33 -0.27 1.69 2.43 -1.87 0.55 114.38 118.01 1fa8 h ARG 15 Ca 0.19 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.27 1fa8 h ARG 15 Cb 0.09 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1fa8 h ARG 15 CO -0.02 0.22 -0.12 0.77 -1.51 0.00 0.00 179.97 179.31 1fa8 h SER 16 N 0.34 0.57 -0.49 -3.80 0.02 -0.53 -2.58 113.55 107.08 1fa8 h SER 16 Ca 0.20 -0.40 0.08 0.00 -0.84 0.00 0.00 61.79 60.83 1fa8 h SER 16 Cb 0.18 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 62.50 1fa8 h SER 16 CO -0.19 0.84 0.13 0.40 -1.14 0.00 0.00 176.83 176.87 1fa8 h ILE 17 N 0.29 0.77 -0.42 3.27 2.04 -0.38 -1.29 117.51 121.80 1fa8 h ILE 17 Ca 0.06 -0.10 0.06 0.00 1.00 0.00 0.00 64.86 65.89 1fa8 h ILE 17 Cb 0.62 0.46 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 1fa8 h ILE 17 CO 0.04 0.05 0.11 0.44 0.00 0.00 0.00 178.15 178.79 1fa8 h ASP 18 N 0.28 0.06 0.59 1.72 3.32 -0.78 -0.94 116.42 120.68 1fa8 h ASP 18 Ca 0.24 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.33 1fa8 h ASP 18 Cb 0.30 0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1fa8 h ASP 18 CO -0.29 0.07 -0.29 0.15 -1.72 0.00 0.00 179.24 177.16 1fa8 h PHE 19 N 0.25 -0.76 -1.00 4.55 3.57 -0.99 0.41 116.94 122.97 1fa8 h PHE 19 Ca 0.20 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.70 1fa8 h PHE 19 Cb 0.23 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.18 1fa8 h PHE 19 CO -0.19 -0.47 0.66 1.88 -2.23 0.00 0.00 178.31 177.97 1fa8 h TYR 20 N -0.80 1.25 0.00 0.41 -1.99 -1.12 -1.34 116.97 113.38 1fa8 h TYR 20 Ca -0.08 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.68 1fa8 h TYR 20 Cb 0.62 -0.42 0.00 0.00 2.00 0.00 0.00 36.73 38.93 1fa8 h TYR 20 CO -0.04 0.78 -0.14 1.79 -0.00 0.00 0.00 178.16 180.54 1fa8 h THR 21 N 1.34 0.00 -0.33 -2.88 1.35 -1.09 -0.95 112.91 110.35 1fa8 h THR 21 Ca 0.37 -0.89 -0.10 0.00 -0.55 0.00 0.00 66.41 65.25 1fa8 h THR 21 Cb -0.13 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.28 1fa8 h THR 21 CO -0.09 0.00 -0.21 0.11 -0.25 0.00 0.00 175.52 175.08 1fa8 h LYS 22 N -0.89 0.62 0.04 4.72 1.57 -0.28 -1.90 116.57 120.45 1fa8 h LYS 22 Ca 0.00 -0.23 -0.34 0.00 -1.87 0.00 0.00 60.65 58.21 1fa8 h LYS 22 Cb 0.14 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 1fa8 h LYS 22 CO 0.00 0.79 -1.90 0.28 -0.57 0.00 0.00 179.45 178.04 1fa8 n VAL 23 N -4.13 1.60 1.07 0.50 0.31 -0.61 -4.51 118.33 112.56 1fa8 n VAL 23 Ca 0.00 -0.35 0.12 0.00 -0.01 0.00 0.00 64.34 64.10 1fa8 n VAL 23 Cb 0.40 -1.84 0.32 0.00 -0.91 0.00 0.00 33.84 31.81 1fa8 n VAL 23 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1fa8 n LEU 24 N -3.97 0.56 0.00 7.52 4.77 -0.62 -4.89 117.00 120.37 1fa8 n LEU 24 Ca -0.39 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 1fa8 n LEU 24 Cb 0.87 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1fa8 n LEU 24 CO 0.23 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1fa8 n GLY 25 N 1.46 0.44 3.94 -0.72 0.00 -0.72 -4.96 105.19 104.63 1fa8 n GLY 25 Ca 0.07 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 1fa8 n GLY 25 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1fa8 s MET 26 N -1.01 0.79 0.09 1.61 -1.94 -0.38 -4.91 119.30 113.55 1fa8 s MET 26 Ca 0.00 -0.48 0.08 0.00 -1.71 0.00 0.00 55.69 53.58 1fa8 s MET 26 Cb 0.00 -1.90 -0.03 0.00 2.01 0.00 0.00 34.83 34.90 1fa8 s MET 26 CO 0.00 -2.29 -0.22 0.15 -0.01 0.00 0.00 175.02 172.65 1fa8 s LYS 27 N -5.80 1.23 -0.42 2.03 1.02 -0.31 -4.29 119.74 113.21 1fa8 s LYS 27 Ca 0.73 -1.14 -0.29 0.00 0.02 0.00 0.00 55.97 55.28 1fa8 s LYS 27 Cb -0.04 -1.50 0.02 0.00 -0.52 0.00 0.00 37.83 35.79 1fa8 s LYS 27 CO 0.52 0.36 1.24 -1.17 -0.92 0.00 0.00 175.35 175.37 1fa8 s LEU 28 N -1.77 3.68 0.00 3.17 2.96 -1.26 -2.34 118.68 123.12 1fa8 s LEU 28 Ca 0.08 0.73 -0.04 0.00 -0.22 0.00 0.00 54.13 54.68 1fa8 s LEU 28 Cb -0.10 -3.54 -0.28 0.00 0.50 0.00 0.00 46.19 42.76 1fa8 s LEU 28 CO 0.04 -1.25 0.85 -0.07 -1.32 0.00 0.00 176.35 174.61 1fa8 h LEU 29 N 11.36 0.43 -7.00 -0.68 3.38 -0.63 -3.49 115.31 118.68 1fa8 h LEU 29 Ca -0.24 -0.59 0.29 0.00 0.09 0.00 0.00 57.88 57.43 1fa8 h LEU 29 Cb 1.08 -0.14 -0.22 0.00 0.09 0.00 0.00 40.66 41.47 1fa8 h LEU 29 CO 1.09 1.49 0.94 0.00 0.09 0.00 0.00 178.44 182.05 1fa8 s ARG 30 N -2.61 0.10 0.07 1.13 1.70 -1.17 -4.99 118.95 113.18 1fa8 s ARG 30 Ca -0.09 -0.02 0.00 0.00 -0.47 0.00 0.00 55.73 55.15 1fa8 s ARG 30 Cb 0.07 0.05 -0.04 0.00 -0.57 0.00 0.00 34.95 34.45 1fa8 s ARG 30 CO 0.86 -0.04 -0.05 0.95 -1.08 0.00 0.00 175.30 175.94 1fa8 s THR 31 N -1.88 0.46 0.18 4.99 -4.23 -1.26 -0.06 115.64 113.85 1fa8 s THR 31 Ca 0.10 -1.86 -0.20 0.00 -1.18 0.00 0.00 61.69 58.56 1fa8 s THR 31 Cb -0.01 -1.58 0.04 0.00 1.34 0.00 0.00 72.50 72.29 1fa8 s THR 31 CO -0.04 -0.93 0.55 -0.94 -0.54 0.00 0.00 174.62 172.72 1fa8 s SER 32 N -2.96 -0.36 -0.00 3.99 1.04 -0.37 -4.97 113.70 110.07 1fa8 s SER 32 Ca 0.09 -0.30 0.01 0.00 0.48 0.00 0.00 55.95 56.22 1fa8 s SER 32 Cb 0.06 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1fa8 s SER 32 CO -0.07 -1.02 -0.02 -1.83 0.98 0.00 0.00 173.24 171.28 1fa8 s GLU 33 N -3.82 0.16 -0.29 4.02 4.04 -1.26 -0.22 118.70 121.33 1fa8 s GLU 33 Ca 0.06 -0.05 0.02 0.00 0.04 0.00 0.00 54.97 55.03 1fa8 s GLU 33 Cb -0.01 -0.18 0.08 0.00 0.02 0.00 0.00 34.13 34.04 1fa8 s GLU 33 CO -0.07 0.02 0.01 1.21 -1.84 0.00 0.00 175.26 174.60 1fa8 s ASN 34 N 0.07 4.26 0.23 0.83 3.84 0.93 -5.00 114.94 120.10 1fa8 s ASN 34 Ca -0.00 -1.64 -0.02 0.00 0.21 0.00 0.00 52.86 51.40 1fa8 s ASN 34 Cb -0.02 -1.29 0.23 0.00 -0.55 0.00 0.00 41.25 39.62 1fa8 s ASN 34 CO -0.00 -0.32 1.63 1.55 -2.79 0.00 0.00 177.10 177.16 1fa8 h PRO 35 N 7.85 0.65 -0.23 0.43 0.13 -1.96 0.43 132.00 139.30 1fa8 h PRO 35 Ca -0.12 -0.28 0.01 0.00 -0.87 0.00 0.00 66.00 64.74 1fa8 h PRO 35 Cb 1.04 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.13 1fa8 h PRO 35 CO 0.47 0.87 0.12 1.49 -0.23 0.00 0.00 178.00 180.72 1fa8 h GLU 36 N 0.55 0.24 -0.02 0.86 4.81 -1.96 -2.91 114.58 116.16 1fa8 h GLU 36 Ca 0.07 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1fa8 h GLU 36 Cb 0.79 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.12 1fa8 h GLU 36 CO 0.06 0.16 -0.24 0.66 -0.73 0.00 0.00 179.01 178.93 1fa8 n TYR 37 N -4.98 0.00 -3.22 0.92 4.02 -1.21 -5.00 117.16 107.69 1fa8 n TYR 37 Ca -0.02 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.72 1fa8 n TYR 37 Cb 0.05 -0.04 0.07 0.00 -0.02 0.00 0.00 39.34 39.40 1fa8 n TYR 37 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1fa8 n LYS 38 N 0.03 -2.34 -3.66 -0.72 5.02 0.14 -4.91 118.16 111.72 1fa8 n LYS 38 Ca 0.13 0.85 -0.10 0.00 -2.02 0.00 0.00 58.31 57.17 1fa8 n LYS 38 Cb 0.43 -5.75 -0.05 0.00 -0.02 0.00 0.00 35.03 29.64 1fa8 n LYS 38 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1fa8 s TYR 39 N -3.38 -0.16 0.05 2.13 -0.85 -0.75 -1.54 117.35 112.85 1fa8 s TYR 39 Ca 0.44 -0.17 0.06 0.00 -0.52 0.00 0.00 57.07 56.87 1fa8 s TYR 39 Cb -0.06 0.22 -0.03 0.00 0.38 0.00 0.00 41.96 42.48 1fa8 s TYR 39 CO 0.72 -0.68 -0.17 -1.12 -1.52 0.00 0.00 175.55 172.79 1fa8 s SER 40 N -2.81 1.98 0.12 -0.18 0.01 0.77 -0.05 113.70 113.55 1fa8 s SER 40 Ca 0.03 -0.53 0.09 0.00 1.31 0.00 0.00 55.95 56.85 1fa8 s SER 40 Cb 0.02 -0.13 -0.04 0.00 0.21 0.00 0.00 66.02 66.09 1fa8 s SER 40 CO -0.12 0.05 -0.22 -0.76 0.41 0.00 0.00 173.24 172.61 1fa8 s LEU 41 N -1.33 2.33 -0.03 2.44 1.43 0.70 -0.59 118.68 123.62 1fa8 s LEU 41 Ca 0.03 -0.74 -0.01 0.00 -1.03 0.00 0.00 54.13 52.39 1fa8 s LEU 41 Cb -0.09 -0.95 0.03 0.00 0.03 0.00 0.00 46.19 45.22 1fa8 s LEU 41 CO 0.02 0.07 0.03 0.00 0.23 0.00 0.00 176.35 176.70 1fa8 s ALA 42 N -1.32 0.24 -0.22 4.21 0.00 -0.49 -1.23 121.76 122.95 1fa8 s ALA 42 Ca 0.10 0.19 -0.07 0.00 0.00 0.00 0.00 51.96 52.19 1fa8 s ALA 42 Cb -0.09 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 1fa8 s ALA 42 CO 0.05 -0.28 0.05 -0.06 0.00 0.00 0.00 175.76 175.52 1fa8 s PHE 43 N 1.57 3.11 -0.01 0.00 0.40 0.92 -0.26 117.98 123.70 1fa8 s PHE 43 Ca -0.03 -0.30 0.07 0.00 -0.60 0.00 0.00 56.93 56.07 1fa8 s PHE 43 Cb -0.13 -2.16 -0.02 0.00 0.51 0.00 0.00 43.02 41.23 1fa8 s PHE 43 CO -0.03 -0.20 -0.23 0.14 0.70 0.00 0.00 175.22 175.60 1fa8 s VAL 44 N 1.15 1.80 0.17 -0.44 -7.23 -0.48 0.18 120.40 115.54 1fa8 s VAL 44 Ca 0.04 -0.99 -0.23 0.00 -1.81 0.00 0.00 61.98 58.98 1fa8 s VAL 44 Cb -0.14 -1.50 0.08 0.00 0.56 0.00 0.00 36.38 35.37 1fa8 s VAL 44 CO 0.03 0.49 1.03 -0.83 -0.31 0.00 0.00 175.10 175.51 1fa8 s GLY 45 N -0.58 -0.01 0.00 2.32 0.00 -0.99 -0.94 107.32 107.12 1fa8 s GLY 45 Ca 0.09 -0.15 0.21 0.00 0.00 0.00 0.00 44.72 44.87 1fa8 s GLY 45 CO -0.01 1.61 1.46 -1.72 0.00 0.00 0.00 173.10 174.45 1fa8 n TYR 46 N -0.62 0.37 -3.66 1.90 4.02 -1.26 -1.17 117.16 116.74 1fa8 n TYR 46 Ca -0.04 -0.18 -0.04 0.00 -0.01 0.00 0.00 57.90 57.62 1fa8 n TYR 46 Cb 0.60 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.91 1fa8 n TYR 46 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1fa8 s GLY 47 N -1.48 -0.33 0.67 2.72 0.00 -1.26 -5.00 107.32 102.64 1fa8 s GLY 47 Ca 0.35 0.54 -0.17 0.00 0.00 0.00 0.00 44.72 45.43 1fa8 s GLY 47 CO 0.28 0.14 1.29 2.56 0.00 0.00 0.00 173.10 177.37 1fa8 s PRO 48 N -3.07 2.41 0.45 2.90 0.04 -1.26 -4.64 135.00 131.83 1fa8 s PRO 48 Ca 0.10 2.03 0.15 0.00 0.04 0.00 0.00 61.00 63.33 1fa8 s PRO 48 Cb -0.00 -1.83 1.10 0.00 0.04 0.00 0.00 34.50 33.80 1fa8 s PRO 48 CO -0.02 -1.70 2.00 0.93 0.04 0.00 0.00 177.00 178.25 1fa8 h GLU 49 N 0.34 0.31 0.00 4.56 5.08 -1.97 0.25 114.58 123.15 1fa8 h GLU 49 Ca -0.50 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1fa8 h GLU 49 Cb 1.33 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1fa8 h GLU 49 CO 0.52 0.21 0.00 1.79 -1.00 0.00 0.00 179.01 180.53 1fa8 h THR 50 N 0.32 0.00 0.00 1.13 1.35 -1.99 -3.29 112.91 110.43 1fa8 h THR 50 Ca 0.24 -0.49 -0.25 0.00 -0.55 0.00 0.00 66.41 65.36 1fa8 h THR 50 Cb 0.53 1.49 -0.05 0.00 -1.73 0.00 0.00 68.15 68.39 1fa8 h THR 50 CO -0.06 0.00 -1.95 -0.62 -0.25 0.00 0.00 175.52 172.64 1fa8 n GLU 51 N -3.08 1.41 -4.36 4.72 1.02 0.58 -5.07 120.64 115.86 1fa8 n GLU 51 Ca 0.00 0.02 -0.21 0.00 -0.02 0.00 0.00 57.16 56.96 1fa8 n GLU 51 Cb 0.30 -1.35 -0.08 0.00 -0.02 0.00 0.00 31.44 30.28 1fa8 n GLU 51 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1fa8 s GLU 52 N -2.33 1.74 0.12 3.49 0.41 0.53 -4.99 118.70 117.66 1fa8 s GLU 52 Ca -0.11 -2.02 -0.18 0.00 -0.41 0.00 0.00 54.97 52.25 1fa8 s GLU 52 Cb 0.05 -0.07 -0.07 0.00 -1.78 0.00 0.00 34.13 32.25 1fa8 s GLU 52 CO 0.52 -0.53 0.59 0.00 -0.49 0.00 0.00 175.26 175.35 1fa8 s ALA 53 N -3.45 3.56 0.02 5.21 0.00 -1.26 -4.46 121.76 121.37 1fa8 s ALA 53 Ca 0.34 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.32 1fa8 s ALA 53 Cb 0.03 -2.64 -0.00 0.00 0.00 0.00 0.00 23.12 20.51 1fa8 s ALA 53 CO 0.20 0.40 0.00 1.33 0.00 0.00 0.00 175.76 177.70 1fa8 n VAL 54 N 1.30 0.00 -5.02 0.00 0.24 -0.53 -4.75 118.33 109.56 1fa8 n VAL 54 Ca -0.07 -0.09 -0.32 0.00 -2.04 0.00 0.00 64.34 61.81 1fa8 n VAL 54 Cb 0.51 0.03 -0.15 0.00 -1.47 0.00 0.00 33.84 32.76 1fa8 n VAL 54 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1fa8 s ILE 55 N -1.52 2.57 -0.28 1.34 1.01 -0.12 -1.64 121.20 122.56 1fa8 s ILE 55 Ca 0.01 -0.86 -0.08 0.00 0.00 0.00 0.00 60.65 59.72 1fa8 s ILE 55 Cb 0.00 -2.01 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 1fa8 s ILE 55 CO 0.00 0.55 0.10 -0.70 0.00 0.00 0.00 174.94 174.90 1fa8 s GLU 56 N 0.05 3.41 -0.25 2.79 2.12 0.51 -1.39 118.70 125.93 1fa8 s GLU 56 Ca -0.08 -0.65 -0.13 0.00 0.36 0.00 0.00 54.97 54.47 1fa8 s GLU 56 Cb -0.15 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 30.79 1fa8 s GLU 56 CO 0.05 -0.33 0.27 -0.51 -0.54 0.00 0.00 175.26 174.21 1fa8 s LEU 57 N 1.58 4.07 -0.17 2.70 1.43 0.64 -0.87 118.68 128.05 1fa8 s LEU 57 Ca 0.05 0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 53.31 1fa8 s LEU 57 Cb -0.16 -2.27 -0.02 0.00 0.03 0.00 0.00 46.19 43.77 1fa8 s LEU 57 CO 0.04 -0.07 -0.06 -0.89 0.23 0.00 0.00 176.35 175.60 1fa8 s THR 58 N 1.61 3.48 -0.23 5.49 2.01 -0.27 -1.39 115.64 126.34 1fa8 s THR 58 Ca 0.11 -0.49 -0.02 0.00 0.31 0.00 0.00 61.69 61.61 1fa8 s THR 58 Cb -0.15 -2.53 0.02 0.00 0.01 0.00 0.00 72.50 69.85 1fa8 s THR 58 CO 0.09 0.48 -0.08 -0.47 -0.69 0.00 0.00 174.62 173.94 1fa8 s TYR 59 N 0.75 3.00 -0.24 4.92 5.04 0.24 -0.79 117.35 130.27 1fa8 s TYR 59 Ca -0.03 -1.42 -0.17 0.00 -2.44 0.00 0.00 57.07 53.01 1fa8 s TYR 59 Cb -0.15 -2.05 -0.03 0.00 0.35 0.00 0.00 41.96 40.08 1fa8 s TYR 59 CO 0.02 -0.70 0.48 -0.80 -1.34 0.00 0.00 175.55 173.21 1fa8 s ASN 60 N 1.36 6.44 -0.16 4.32 0.01 -1.26 -0.17 114.94 125.48 1fa8 s ASN 60 Ca 0.02 0.53 -0.39 0.00 -0.71 0.00 0.00 52.86 52.31 1fa8 s ASN 60 Cb -0.16 -2.27 -0.16 0.00 0.41 0.00 0.00 41.25 39.08 1fa8 s ASN 60 CO -0.05 -0.21 1.60 0.79 -1.51 0.00 0.00 177.10 177.71 1fa8 n TRP 61 N 5.16 1.85 -0.79 2.20 8.01 -0.59 -0.88 117.44 132.40 1fa8 n TRP 61 Ca -0.05 0.59 0.00 0.00 -1.31 0.00 0.00 57.50 56.73 1fa8 n TRP 61 Cb 0.50 -2.41 0.00 0.00 -2.01 0.00 0.00 31.31 27.40 1fa8 n TRP 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1fa8 n GLY 62 N 3.60 1.38 3.41 6.99 0.00 -1.26 -5.00 105.19 114.31 1fa8 n GLY 62 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 1fa8 n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fa8 s VAL 63 N -3.77 4.81 -1.24 1.61 1.01 -0.06 -4.93 120.40 117.84 1fa8 s VAL 63 Ca 0.00 -0.73 0.12 0.00 0.00 0.00 0.00 61.98 61.37 1fa8 s VAL 63 Cb 0.00 -3.65 0.27 0.00 0.00 0.00 0.00 36.38 32.99 1fa8 s VAL 63 CO 0.00 -0.22 1.16 -0.90 0.00 0.00 0.00 175.10 175.14 1fa8 n ASP 64 N 5.05 2.73 -3.72 3.32 5.75 -1.26 -4.59 116.55 123.83 1fa8 n ASP 64 Ca -0.12 -1.84 -0.14 0.00 -0.01 0.00 0.00 54.79 52.68 1fa8 n ASP 64 Cb 0.47 -0.18 -0.09 0.00 -1.03 0.00 0.00 41.12 40.29 1fa8 n ASP 64 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1fa8 s LYS 65 N -1.02 0.62 0.25 0.11 2.47 -1.26 -4.36 119.74 116.54 1fa8 s LYS 65 Ca 0.23 0.29 0.01 0.00 -1.56 0.00 0.00 55.97 54.94 1fa8 s LYS 65 Cb 0.13 0.29 -0.04 0.00 -1.46 0.00 0.00 37.83 36.74 1fa8 s LYS 65 CO 0.17 -0.13 0.12 0.71 0.16 0.00 0.00 175.35 176.38 1fa8 s TYR 66 N -0.45 1.42 -0.38 4.03 1.51 -1.26 -5.04 117.35 117.18 1fa8 s TYR 66 Ca -0.06 -1.29 -0.14 0.00 -1.01 0.00 0.00 57.07 54.58 1fa8 s TYR 66 Cb -0.03 -0.77 0.00 0.00 -0.11 0.00 0.00 41.96 41.05 1fa8 s TYR 66 CO 0.03 -0.48 0.27 -1.21 -1.11 0.00 0.00 175.55 173.05 1fa8 s GLU 67 N -4.03 3.18 0.35 -0.62 2.02 -1.26 -4.97 118.70 113.37 1fa8 s GLU 67 Ca 0.38 -0.86 0.03 0.00 0.02 0.00 0.00 54.97 54.54 1fa8 s GLU 67 Cb 0.07 -3.89 0.65 0.00 0.10 0.00 0.00 34.13 31.06 1fa8 s GLU 67 CO 0.14 -0.62 1.98 1.25 0.02 0.00 0.00 175.26 178.03 1fa8 h LEU 68 N 8.56 0.74 0.00 1.80 5.85 -2.00 -3.49 115.31 126.77 1fa8 h LEU 68 Ca -0.29 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.48 1fa8 h LEU 68 Cb 1.13 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1fa8 h LEU 68 CO 0.69 0.51 -0.07 0.61 -0.34 0.00 0.00 178.44 179.83 1fa8 n GLY 69 N -1.44 -1.92 0.07 3.75 0.00 -1.26 -4.65 105.19 99.76 1fa8 n GLY 69 Ca 0.09 -1.34 0.01 0.00 0.00 0.00 0.00 46.02 44.78 1fa8 n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fa8 n THR 70 N -1.26 0.00 -0.05 2.61 -2.24 -1.26 -4.78 114.28 107.29 1fa8 n THR 70 Ca 0.00 -0.49 -0.04 0.00 -2.27 0.00 0.00 64.05 61.25 1fa8 n THR 70 Cb 0.09 1.04 -0.04 0.00 -2.10 0.00 0.00 70.33 69.33 1fa8 n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fa8 h ALA 71 N 0.40 -0.01 -2.49 6.98 0.00 -2.02 -3.46 119.26 118.67 1fa8 h ALA 71 Ca 0.00 -0.13 -0.56 0.00 0.00 0.00 0.00 54.91 54.21 1fa8 h ALA 71 Cb 0.08 0.00 0.08 0.00 0.00 0.00 0.00 17.79 17.95 1fa8 h ALA 71 CO 0.00 -0.01 0.77 0.98 0.00 0.00 0.00 179.25 181.00 1fa8 n TYR 72 N -4.74 2.47 0.00 0.00 9.36 -1.26 -4.96 117.16 118.02 1fa8 n TYR 72 Ca -0.03 0.30 0.00 0.00 3.32 0.00 0.00 57.90 61.50 1fa8 n TYR 72 Cb 0.13 -2.54 0.00 0.00 -0.63 0.00 0.00 39.34 36.30 1fa8 n TYR 72 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1fa8 n GLY 73 N 2.58 -0.02 3.48 2.98 0.00 -1.26 -5.04 105.19 107.91 1fa8 n GLY 73 Ca 0.12 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.17 1fa8 n GLY 73 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1fa8 n HIS 74 N -1.51 -0.26 -5.20 1.61 1.44 -1.26 -4.48 115.22 105.56 1fa8 n HIS 74 Ca 0.00 -0.57 -0.30 0.00 -2.01 0.00 0.00 57.72 54.84 1fa8 n HIS 74 Cb 0.00 0.26 -0.16 0.00 0.12 0.00 0.00 29.99 30.21 1fa8 n HIS 74 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1fa8 s ILE 75 N -2.02 1.89 -0.08 0.61 1.01 -1.12 -5.00 121.20 116.50 1fa8 s ILE 75 Ca 0.27 -1.02 0.02 0.00 0.00 0.00 0.00 60.65 59.91 1fa8 s ILE 75 Cb -0.01 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 1fa8 s ILE 75 CO -0.01 0.54 -0.13 0.00 0.00 0.00 0.00 174.94 175.33 1fa8 s ALA 76 N -0.56 2.68 0.10 9.38 0.00 -1.26 -0.38 121.76 131.72 1fa8 s ALA 76 Ca 0.09 -0.94 0.07 0.00 0.00 0.00 0.00 51.96 51.18 1fa8 s ALA 76 Cb -0.09 -1.08 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 1fa8 s ALA 76 CO -0.01 0.45 -0.17 -0.51 0.00 0.00 0.00 175.76 175.52 1fa8 s LEU 77 N -0.37 2.32 0.28 0.00 1.43 0.12 -4.94 118.68 117.53 1fa8 s LEU 77 Ca 0.04 -0.70 -0.13 0.00 -1.03 0.00 0.00 54.13 52.31 1fa8 s LEU 77 Cb -0.12 -0.69 -0.08 0.00 0.03 0.00 0.00 46.19 45.32 1fa8 s LEU 77 CO 0.02 -0.03 0.66 -0.94 0.23 0.00 0.00 176.35 176.29 1fa8 s SER 78 N -2.01 6.71 0.03 2.29 1.04 -1.26 -0.89 113.70 119.61 1fa8 s SER 78 Ca 0.05 1.13 -0.02 0.00 0.48 0.00 0.00 55.95 57.59 1fa8 s SER 78 Cb -0.09 -2.31 -0.02 0.00 0.10 0.00 0.00 66.02 63.70 1fa8 s SER 78 CO 0.04 -0.15 0.00 0.68 0.98 0.00 0.00 173.24 174.79 1fa8 s VAL 79 N -1.91 0.15 0.07 5.02 -7.23 -0.73 -4.85 120.40 110.93 1fa8 s VAL 79 Ca 0.51 -1.22 -0.14 0.00 -1.81 0.00 0.00 61.98 59.32 1fa8 s VAL 79 Cb -0.11 -0.80 -0.26 0.00 0.56 0.00 0.00 36.38 35.77 1fa8 s VAL 79 CO 0.19 -0.67 1.15 0.44 -0.31 0.00 0.00 175.10 175.89 1fa8 h ASP 80 N 3.95 0.87 -2.83 4.85 3.32 -1.97 -0.94 116.42 123.68 1fa8 h ASP 80 Ca -0.33 -0.76 -0.49 0.00 0.02 0.00 0.00 57.03 55.47 1fa8 h ASP 80 Cb 1.18 -0.27 -0.40 0.00 0.22 0.00 0.00 39.33 40.06 1fa8 h ASP 80 CO 0.51 1.56 -0.76 0.21 -1.72 0.00 0.00 179.24 179.04 1fa8 s ASN 81 N -7.36 3.00 0.16 6.45 3.84 -1.26 -4.60 114.94 115.17 1fa8 s ASN 81 Ca -0.09 -1.02 -0.15 0.00 0.21 0.00 0.00 52.86 51.81 1fa8 s ASN 81 Cb 0.06 -0.25 0.03 0.00 -0.55 0.00 0.00 41.25 40.54 1fa8 s ASN 81 CO 0.93 -0.41 1.79 0.00 -2.79 0.00 0.00 177.10 176.62 1fa8 h ALA 82 N 8.40 0.57 -0.43 1.71 0.00 -1.94 -1.79 119.26 125.78 1fa8 h ALA 82 Ca -0.18 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.71 1fa8 h ALA 82 Cb 1.06 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1fa8 h ALA 82 CO 0.38 0.06 0.19 0.00 0.00 0.00 0.00 179.25 179.89 1fa8 h ALA 83 N 1.13 0.53 -0.29 0.00 0.00 -1.95 0.53 119.26 119.21 1fa8 h ALA 83 Ca 0.16 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1fa8 h ALA 83 Cb -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1fa8 h ALA 83 CO -0.03 -0.18 0.13 1.49 0.00 0.00 0.00 179.25 180.66 1fa8 h GLU 84 N 0.39 0.43 -0.56 0.00 4.81 -1.97 -2.20 114.58 115.48 1fa8 h GLU 84 Ca 0.19 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.40 1fa8 h GLU 84 Cb 0.13 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.39 1fa8 h GLU 84 CO -0.16 0.43 0.30 0.00 -0.73 0.00 0.00 179.01 178.85 1fa8 h ALA 85 N 0.98 0.73 -0.58 2.92 0.00 -0.94 -0.77 119.26 121.59 1fa8 h ALA 85 Ca 0.10 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.11 1fa8 h ALA 85 Cb 0.15 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 1fa8 h ALA 85 CO -0.01 -0.04 0.22 0.00 0.00 0.00 0.00 179.25 179.42 1fa8 h GLU 87 N 0.41 0.46 -0.42 0.00 4.39 -0.72 -0.84 114.58 117.85 1fa8 h GLU 87 Ca 0.29 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.93 1fa8 h GLU 87 Cb 0.34 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1fa8 h GLU 87 CO -0.29 0.39 0.25 -0.22 -1.16 0.00 0.00 179.01 177.98 1fa8 h LYS 88 N 0.40 0.57 -0.25 2.33 3.64 -0.50 -2.82 116.57 119.95 1fa8 h LYS 88 Ca 0.11 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1fa8 h LYS 88 Cb 0.07 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1fa8 h LYS 88 CO -0.02 0.44 0.11 0.82 -2.27 0.00 0.00 179.45 178.53 1fa8 h ILE 89 N 0.55 1.15 0.00 2.00 2.04 -0.42 -2.50 117.51 120.33 1fa8 h ILE 89 Ca 0.15 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1fa8 h ILE 89 Cb 0.02 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1fa8 h ILE 89 CO -0.03 0.15 -0.06 0.08 0.00 0.00 0.00 178.15 178.29 1fa8 h ARG 90 N 0.26 0.00 -0.69 2.37 0.11 -1.07 -1.48 114.38 113.88 1fa8 h ARG 90 Ca 0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.16 1fa8 h ARG 90 Cb 0.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.22 1fa8 h ARG 90 CO -0.01 0.06 0.00 1.04 0.10 0.00 0.00 179.97 181.16 1fa8 n GLN 91 N -3.94 2.71 -2.71 0.08 6.02 -1.07 -4.56 117.38 113.90 1fa8 n GLN 91 Ca -0.03 -2.62 -0.06 0.00 -0.01 0.00 0.00 57.00 54.29 1fa8 n GLN 91 Cb 0.15 -1.56 0.04 0.00 1.02 0.00 0.00 30.24 29.89 1fa8 n GLN 91 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1fa8 n ASN 92 N 1.62 1.74 0.00 1.08 4.13 -0.68 -4.97 115.26 118.19 1fa8 n ASN 92 Ca 0.24 -2.46 0.00 0.00 1.68 0.00 0.00 54.58 54.04 1fa8 n ASN 92 Cb 0.62 -0.50 0.00 0.00 -1.54 0.00 0.00 39.78 38.36 1fa8 n ASN 92 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1fa8 n GLY 93 N -0.35 0.69 0.00 7.41 0.00 -1.25 -4.87 105.19 106.82 1fa8 n GLY 93 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1fa8 n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fa8 n GLY 94 N -2.00 2.76 3.36 -0.02 0.00 -0.64 -3.72 105.19 104.92 1fa8 n GLY 94 Ca 0.00 -2.11 -0.11 0.00 0.00 0.00 0.00 46.02 43.80 1fa8 n GLY 94 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1fa8 s ASN 95 N -0.85 -0.58 -0.32 1.61 2.47 -0.77 -4.59 114.94 111.91 1fa8 s ASN 95 Ca 0.00 1.01 -0.16 0.00 0.42 0.00 0.00 52.86 54.13 1fa8 s ASN 95 Cb 0.00 0.92 -0.02 0.00 -1.45 0.00 0.00 41.25 40.70 1fa8 s ASN 95 CO 0.00 -0.19 0.41 -0.69 -3.72 0.00 0.00 177.10 172.90 1fa8 s VAL 96 N 1.17 5.13 -0.18 -5.21 1.01 -1.26 0.73 120.40 121.79 1fa8 s VAL 96 Ca -0.07 0.31 0.15 0.00 0.00 0.00 0.00 61.98 62.37 1fa8 s VAL 96 Cb -0.07 -3.82 -0.24 0.00 0.00 0.00 0.00 36.38 32.25 1fa8 s VAL 96 CO -0.11 -0.04 0.12 0.35 0.00 0.00 0.00 175.10 175.42 1fa8 n THR 97 N 5.25 1.43 -3.80 3.92 -2.24 -0.08 -4.85 114.28 113.91 1fa8 n THR 97 Ca -0.08 -0.82 -0.29 0.00 -2.27 0.00 0.00 64.05 60.59 1fa8 n THR 97 Cb 0.50 -0.64 -0.16 0.00 -2.10 0.00 0.00 70.33 67.93 1fa8 n THR 97 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1fa8 s ARG 98 N -2.51 0.96 0.67 -0.78 6.06 -0.28 -4.95 118.95 118.13 1fa8 s ARG 98 Ca -0.12 -0.72 -0.17 0.00 -2.50 0.00 0.00 55.73 52.22 1fa8 s ARG 98 Cb 0.07 -2.25 -0.00 0.00 0.06 0.00 0.00 34.95 32.83 1fa8 s ARG 98 CO 0.81 -0.69 1.19 0.39 -2.50 0.00 0.00 175.30 174.50 1fa8 n GLU 99 N 4.89 0.88 -1.72 5.12 -0.58 -1.26 -1.70 120.64 126.26 1fa8 n GLU 99 Ca -0.08 0.36 -0.42 0.00 -0.42 0.00 0.00 57.16 56.59 1fa8 n GLU 99 Cb 0.45 -2.43 -0.02 0.00 -0.57 0.00 0.00 31.44 28.87 1fa8 n GLU 99 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1fa8 n ALA 100 N -2.16 2.59 0.00 0.62 0.00 -1.26 -4.63 120.51 115.66 1fa8 n ALA 100 Ca 0.15 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1fa8 n ALA 100 Cb 0.48 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.45 1fa8 n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fa8 n GLY 101 N 3.16 0.89 3.74 0.00 0.00 -0.35 -4.96 105.19 107.67 1fa8 n GLY 101 Ca 0.13 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 1fa8 n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fa8 s PRO 102 N -2.00 2.49 0.16 1.61 0.04 -1.26 -1.03 135.00 135.02 1fa8 s PRO 102 Ca 0.00 1.78 -0.28 0.00 0.04 0.00 0.00 61.00 62.54 1fa8 s PRO 102 Cb 0.00 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.59 1fa8 s PRO 102 CO 0.00 -1.57 0.88 0.54 0.04 0.00 0.00 177.00 176.89 1fa8 s VAL 103 N -1.83 4.35 0.13 -0.36 0.11 -0.45 -4.83 120.40 117.51 1fa8 s VAL 103 Ca 0.75 1.93 -0.35 0.00 -2.93 0.00 0.00 61.98 61.38 1fa8 s VAL 103 Cb -0.30 -4.25 -0.16 0.00 -1.53 0.00 0.00 36.38 30.14 1fa8 s VAL 103 CO 0.41 0.44 1.29 0.29 -3.33 0.00 0.00 175.10 174.20 1fa8 n LYS 104 N 2.05 1.28 -0.98 1.54 5.02 -1.26 0.26 118.16 126.06 1fa8 n LYS 104 Ca -0.02 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 1fa8 n LYS 104 Cb 0.48 -2.06 0.00 0.00 -0.02 0.00 0.00 35.03 33.44 1fa8 n LYS 104 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fa8 n GLY 105 N 2.37 0.45 2.96 0.72 0.00 -1.26 -4.98 105.19 105.46 1fa8 n GLY 105 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 1fa8 n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fa8 n GLY 106 N -2.08 3.00 0.00 -0.02 0.00 0.14 -5.05 105.19 101.18 1fa8 n GLY 106 Ca 0.00 -1.88 0.01 0.00 0.00 0.00 0.00 46.02 44.15 1fa8 n GLY 106 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fa8 n THR 107 N -0.59 0.00 -1.93 2.61 -2.24 -1.26 -4.30 114.28 106.57 1fa8 n THR 107 Ca 0.07 -0.36 -0.42 0.00 -2.27 0.00 0.00 64.05 61.07 1fa8 n THR 107 Cb 0.56 0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 69.62 1fa8 n THR 107 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1fa8 s THR 108 N -1.36 2.91 -0.10 4.28 2.01 -1.26 -4.76 115.64 117.35 1fa8 s THR 108 Ca 0.00 0.48 -0.25 0.00 0.31 0.00 0.00 61.69 62.23 1fa8 s THR 108 Cb 0.01 -3.31 -0.03 0.00 0.01 0.00 0.00 72.50 69.19 1fa8 s THR 108 CO 0.05 0.01 0.81 -0.69 -0.69 0.00 0.00 174.62 174.11 1fa8 s VAL 109 N 2.13 4.94 0.19 3.82 1.01 -1.26 -1.34 120.40 129.88 1fa8 s VAL 109 Ca 0.73 1.64 -0.01 0.00 0.00 0.00 0.00 61.98 64.34 1fa8 s VAL 109 Cb -0.41 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 31.79 1fa8 s VAL 109 CO 0.32 0.13 0.10 0.27 0.00 0.00 0.00 175.10 175.92 1fa8 s ILE 110 N 1.47 0.13 0.15 2.22 -4.36 -0.20 -0.51 121.20 120.10 1fa8 s ILE 110 Ca 0.40 -1.98 -0.20 0.00 -0.26 0.00 0.00 60.65 58.62 1fa8 s ILE 110 Cb -0.18 -2.38 0.05 0.00 1.25 0.00 0.00 42.46 41.20 1fa8 s ILE 110 CO 0.17 -0.14 0.51 0.00 0.24 0.00 0.00 174.94 175.72 1fa8 s ALA 111 N -4.06 -1.29 -0.05 2.27 0.00 -0.39 -1.22 121.76 117.02 1fa8 s ALA 111 Ca 0.34 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.57 1fa8 s ALA 111 Cb 0.07 0.80 0.01 0.00 0.00 0.00 0.00 23.12 24.00 1fa8 s ALA 111 CO 0.09 -0.71 -0.12 -0.06 0.00 0.00 0.00 175.76 174.96 1fa8 s PHE 112 N -3.78 1.37 0.31 0.00 0.40 -0.69 -0.88 117.98 114.72 1fa8 s PHE 112 Ca 0.02 -0.45 0.04 0.00 -0.60 0.00 0.00 56.93 55.94 1fa8 s PHE 112 Cb 0.00 -0.98 -0.03 0.00 0.51 0.00 0.00 43.02 42.51 1fa8 s PHE 112 CO -0.12 -0.21 0.19 0.14 0.70 0.00 0.00 175.22 175.91 1fa8 s VAL 113 N 0.45 0.22 0.03 -0.44 -7.23 -0.15 -0.91 120.40 112.37 1fa8 s VAL 113 Ca -0.10 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.13 1fa8 s VAL 113 Cb -0.13 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 34.30 1fa8 s VAL 113 CO 0.03 0.00 -0.16 -1.61 -0.31 0.00 0.00 175.10 173.05 1fa8 s GLU 114 N -3.73 1.08 0.57 4.82 2.02 0.23 -0.57 118.70 123.12 1fa8 s GLU 114 Ca 0.36 -0.78 -0.08 0.00 0.02 0.00 0.00 54.97 54.50 1fa8 s GLU 114 Cb 0.04 -1.12 0.13 0.00 0.10 0.00 0.00 34.13 33.28 1fa8 s GLU 114 CO 0.20 0.28 0.78 -0.40 0.02 0.00 0.00 175.26 176.13 1fa8 n ASP 115 N 1.99 0.23 0.32 -0.19 5.75 -0.22 -1.85 116.55 122.57 1fa8 n ASP 115 Ca -0.17 -1.38 0.20 0.00 -0.01 0.00 0.00 54.79 53.42 1fa8 n ASP 115 Cb 0.54 -0.58 1.05 0.00 -1.03 0.00 0.00 41.12 41.11 1fa8 n ASP 115 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 1fa8 h PRO 116 N 0.00 0.00 -0.20 0.11 0.11 -1.91 -1.32 132.00 128.79 1fa8 h PRO 116 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1fa8 h PRO 116 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1fa8 h PRO 116 CO 0.19 0.01 0.00 -0.25 -0.21 0.00 0.00 178.00 177.75 1fa8 n ASP 117 N -3.30 2.82 0.00 -2.05 9.92 -1.26 -4.94 116.55 117.74 1fa8 n ASP 117 Ca -0.02 -1.90 0.00 0.00 -0.53 0.00 0.00 54.79 52.34 1fa8 n ASP 117 Cb 0.12 -0.12 0.00 0.00 -0.64 0.00 0.00 41.12 40.47 1fa8 n ASP 117 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1fa8 n GLY 118 N 1.36 0.70 3.75 0.44 0.00 -0.50 -5.02 105.19 105.93 1fa8 n GLY 118 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1fa8 n GLY 118 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fa8 s TYR 119 N -2.79 3.08 0.20 1.61 1.51 -1.26 -4.66 117.35 115.04 1fa8 s TYR 119 Ca 0.00 1.11 -0.28 0.00 -1.01 0.00 0.00 57.07 56.89 1fa8 s TYR 119 Cb 0.00 -3.75 -0.08 0.00 -0.11 0.00 0.00 41.96 38.02 1fa8 s TYR 119 CO 0.00 -2.39 0.89 0.15 -1.11 0.00 0.00 175.55 173.09 1fa8 s LYS 120 N -0.44 4.75 -0.04 -0.62 -0.14 -1.26 -1.06 119.74 120.92 1fa8 s LYS 120 Ca 0.58 1.37 0.03 0.00 -1.36 0.00 0.00 55.97 56.59 1fa8 s LYS 120 Cb -0.40 -3.29 0.01 0.00 -1.68 0.00 0.00 37.83 32.47 1fa8 s LYS 120 CO 0.43 0.49 -0.11 0.42 -0.76 0.00 0.00 175.35 175.82 1fa8 s ILE 121 N -1.00 0.98 -0.18 2.17 1.01 0.26 -2.77 121.20 121.67 1fa8 s ILE 121 Ca 0.40 -0.44 -0.06 0.00 0.00 0.00 0.00 60.65 60.55 1fa8 s ILE 121 Cb -0.25 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 1fa8 s ILE 121 CO 0.30 0.30 0.03 -0.70 0.00 0.00 0.00 174.94 174.87 1fa8 s GLU 122 N 0.35 3.86 -0.22 2.79 2.12 0.48 -0.98 118.70 127.11 1fa8 s GLU 122 Ca -0.07 -0.41 -0.08 0.00 0.36 0.00 0.00 54.97 54.78 1fa8 s GLU 122 Cb -0.12 -3.13 -0.04 0.00 0.26 0.00 0.00 34.13 31.11 1fa8 s GLU 122 CO 0.02 0.24 0.08 -0.51 -0.54 0.00 0.00 175.26 174.54 1fa8 s LEU 123 N 0.44 3.65 -0.24 2.70 1.43 -0.06 0.14 118.68 126.76 1fa8 s LEU 123 Ca 0.01 -0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 1fa8 s LEU 123 Cb -0.13 -1.96 0.04 0.00 0.03 0.00 0.00 46.19 44.17 1fa8 s LEU 123 CO 0.01 0.05 -0.12 -0.63 0.23 0.00 0.00 176.35 175.89 1fa8 s ILE 124 N 1.12 2.30 0.18 -0.59 1.01 -0.07 -1.27 121.20 123.89 1fa8 s ILE 124 Ca 0.05 -1.32 -0.30 0.00 0.00 0.00 0.00 60.65 59.07 1fa8 s ILE 124 Cb -0.14 -2.22 -0.09 0.00 0.01 0.00 0.00 42.46 40.03 1fa8 s ILE 124 CO 0.03 0.17 1.37 -0.70 0.00 0.00 0.00 174.94 175.81 1fa8 s GLU 125 N 1.20 4.34 0.00 2.79 2.12 0.33 -1.77 118.70 127.71 1fa8 s GLU 125 Ca -0.03 2.12 0.00 0.00 0.36 0.00 0.00 54.97 57.42 1fa8 s GLU 125 Cb -0.17 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 31.02 1fa8 s GLU 125 CO -0.07 -0.36 0.40 0.39 -0.54 0.00 0.00 175.26 175.08 1fa8 n GLU 126 N 3.06 0.00 -1.47 4.30 -0.58 -0.36 -4.60 120.64 120.99 1fa8 n GLU 126 Ca 0.08 0.27 -0.33 0.00 -0.42 0.00 0.00 57.16 56.77 1fa8 n GLU 126 Cb 0.42 -0.90 0.05 0.00 -0.57 0.00 0.00 31.44 30.43 1fa8 n GLU 126 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1fa8 n GLY 134 N -0.68 5.35 0.00 0.62 0.00 -1.26 -5.06 105.19 104.17 1fa8 n GLY 134 Ca 0.00 -2.15 0.01 0.00 0.00 0.00 0.00 46.02 43.88 1fa8 n GLY 134 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48