#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fa6 s ARG 2 N 0.00 1.28 -0.26 0.03 1.70 -1.26 -5.11 118.95 115.32 1fa6 s ARG 2 Ca 0.00 -0.68 -0.24 0.00 -0.47 0.00 0.00 55.73 54.34 1fa6 s ARG 2 Cb 0.00 0.54 -0.00 0.00 -0.57 0.00 0.00 34.95 34.91 1fa6 s ARG 2 CO 0.00 -0.54 0.80 -1.17 -1.08 0.00 0.00 175.30 173.31 1fa6 s LEU 3 N -2.81 4.08 -0.18 -1.89 0.20 -1.26 -4.95 118.68 111.87 1fa6 s LEU 3 Ca 0.04 0.88 -0.21 0.00 0.69 0.00 0.00 54.13 55.54 1fa6 s LEU 3 Cb -0.00 -3.12 -0.18 0.00 -0.43 0.00 0.00 46.19 42.46 1fa6 s LEU 3 CO -0.09 -0.53 0.30 -0.07 -0.29 0.00 0.00 176.35 175.67 1fa6 h LEU 4 N 9.25 0.00 -7.78 -0.68 3.38 -1.95 -3.36 115.31 114.17 1fa6 h LEU 4 Ca -0.24 -0.55 0.14 0.00 0.09 0.00 0.00 57.88 57.33 1fa6 h LEU 4 Cb 1.10 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.78 1fa6 h LEU 4 CO 0.87 1.21 0.43 -1.38 0.09 0.00 0.00 178.44 179.66 1fa6 s HIS 5 N -2.26 -0.10 -0.13 1.13 -3.43 -1.26 -1.17 115.29 108.07 1fa6 s HIS 5 Ca -0.23 -0.27 0.02 0.00 -0.80 0.00 0.00 55.06 53.79 1fa6 s HIS 5 Cb 0.03 0.67 0.01 0.00 -1.43 0.00 0.00 32.58 31.86 1fa6 s HIS 5 CO 0.54 -0.97 -0.19 0.99 -2.00 0.00 0.00 174.74 173.11 1fa6 s THR 6 N -3.24 1.80 -0.20 -5.38 2.01 -0.88 -4.94 115.64 104.80 1fa6 s THR 6 Ca 0.13 -0.82 -0.09 0.00 0.31 0.00 0.00 61.69 61.22 1fa6 s THR 6 Cb -0.03 -1.61 -0.05 0.00 0.01 0.00 0.00 72.50 70.83 1fa6 s THR 6 CO 0.04 0.50 0.12 -0.32 -0.69 0.00 0.00 174.62 174.27 1fa6 s MET 7 N 0.90 4.12 -0.02 4.92 0.00 -1.26 -0.89 119.30 127.07 1fa6 s MET 7 Ca -0.07 -0.26 0.06 0.00 0.00 0.00 0.00 55.69 55.42 1fa6 s MET 7 Cb -0.15 -3.38 -0.01 0.00 0.00 0.00 0.00 34.83 31.29 1fa6 s MET 7 CO -0.02 0.26 -0.19 -0.51 0.00 0.00 0.00 175.02 174.57 1fa6 s LEU 8 N 0.45 2.02 -0.00 4.11 1.43 -0.09 -4.97 118.68 121.63 1fa6 s LEU 8 Ca 0.07 -0.34 -0.17 0.00 -1.03 0.00 0.00 54.13 52.65 1fa6 s LEU 8 Cb -0.12 -0.97 -0.06 0.00 0.03 0.00 0.00 46.19 45.08 1fa6 s LEU 8 CO -0.01 0.22 0.49 -0.13 0.23 0.00 0.00 176.35 177.16 1fa6 s ARG 9 N -0.38 4.14 0.21 1.70 0.52 -1.26 -1.36 118.95 122.51 1fa6 s ARG 9 Ca 0.06 0.55 0.09 0.00 -0.52 0.00 0.00 55.73 55.92 1fa6 s ARG 9 Cb -0.08 -3.29 -0.05 0.00 0.52 0.00 0.00 34.95 32.06 1fa6 s ARG 9 CO -0.00 0.53 -0.18 0.14 0.02 0.00 0.00 175.30 175.80 1fa6 s VAL 10 N -0.63 2.02 -0.54 3.52 -7.23 0.61 -4.89 120.40 113.25 1fa6 s VAL 10 Ca 0.27 -2.15 0.24 0.00 -1.81 0.00 0.00 61.98 58.52 1fa6 s VAL 10 Cb -0.17 -2.05 0.17 0.00 0.56 0.00 0.00 36.38 34.88 1fa6 s VAL 10 CO 0.15 -0.41 1.45 1.23 -0.31 0.00 0.00 175.10 177.21 1fa6 h GLY 11 N 2.77 0.00 -6.27 2.32 0.00 -1.80 -3.41 103.07 96.67 1fa6 h GLY 11 Ca -0.41 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.82 1fa6 h GLY 11 CO 0.57 0.00 -0.45 -0.35 0.00 0.00 0.00 176.54 176.31 1fa6 s ASP 12 N -4.97 -0.22 0.07 0.19 -1.08 -1.26 -4.36 116.67 105.05 1fa6 s ASP 12 Ca 0.06 0.14 -0.23 0.00 -0.52 0.00 0.00 52.55 52.00 1fa6 s ASP 12 Cb 0.10 1.41 -0.09 0.00 -1.46 0.00 0.00 42.92 42.88 1fa6 s ASP 12 CO 0.69 -0.31 1.37 0.25 0.52 0.00 0.00 175.17 177.69 1fa6 h LEU 13 N 8.12 -1.12 -0.46 -1.34 5.85 -1.94 -1.80 115.31 122.62 1fa6 h LEU 13 Ca -0.14 0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.79 1fa6 h LEU 13 Cb 1.15 0.43 -0.07 0.00 0.37 0.00 0.00 40.66 42.53 1fa6 h LEU 13 CO 0.25 -0.34 0.04 -0.61 -0.34 0.00 0.00 178.44 177.44 1fa6 h GLN 14 N -0.44 0.16 -0.68 1.25 5.75 -1.99 0.75 115.11 119.92 1fa6 h GLN 14 Ca 0.01 -0.01 0.14 0.00 -0.15 0.00 0.00 58.65 58.65 1fa6 h GLN 14 Cb 0.48 -0.04 -0.11 0.00 1.07 0.00 0.00 27.48 28.88 1fa6 h GLN 14 CO -0.25 0.10 0.07 -0.09 -2.65 0.00 0.00 178.83 176.01 1fa6 h ARG 15 N 0.16 0.17 -0.45 1.69 2.43 -1.93 0.14 114.38 116.58 1fa6 h ARG 15 Ca 0.23 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.35 1fa6 h ARG 15 Cb 0.33 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 1fa6 h ARG 15 CO -0.35 0.11 0.12 0.77 -1.51 0.00 0.00 179.97 179.11 1fa6 h SER 16 N 0.17 0.68 -0.11 -3.80 0.02 -0.31 -2.16 113.55 108.05 1fa6 h SER 16 Ca 0.37 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1fa6 h SER 16 Cb 0.61 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1fa6 h SER 16 CO -0.54 0.73 0.06 0.40 -1.14 0.00 0.00 176.83 176.35 1fa6 h ILE 17 N 0.60 1.01 -0.97 3.27 2.04 0.13 -1.51 117.51 122.08 1fa6 h ILE 17 Ca 0.14 -0.04 0.12 0.00 1.00 0.00 0.00 64.86 66.08 1fa6 h ILE 17 Cb 0.31 0.87 -0.08 0.00 -0.74 0.00 0.00 36.82 37.18 1fa6 h ILE 17 CO 0.00 0.02 0.60 0.44 0.00 0.00 0.00 178.15 179.22 1fa6 h ASP 18 N 0.13 0.88 0.66 1.72 3.32 -0.62 -1.05 116.42 121.45 1fa6 h ASP 18 Ca 0.04 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 1fa6 h ASP 18 Cb -0.00 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.43 1fa6 h ASP 18 CO -0.02 0.47 -0.32 0.15 -1.72 0.00 0.00 179.24 177.80 1fa6 h PHE 19 N 0.95 -0.83 -0.77 4.55 3.57 -0.93 0.06 116.94 123.55 1fa6 h PHE 19 Ca 0.48 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 62.06 1fa6 h PHE 19 Cb 0.47 0.27 -0.05 0.00 2.79 0.00 0.00 35.95 39.44 1fa6 h PHE 19 CO -0.02 -0.51 0.50 1.88 -2.23 0.00 0.00 178.31 177.93 1fa6 h TYR 20 N -1.14 0.72 0.00 0.41 -1.99 -1.12 -0.83 116.97 113.02 1fa6 h TYR 20 Ca -0.09 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.66 1fa6 h TYR 20 Cb 0.68 -0.23 0.00 0.00 2.00 0.00 0.00 36.73 39.18 1fa6 h TYR 20 CO 0.02 0.33 -0.06 1.79 -0.00 0.00 0.00 178.16 180.24 1fa6 h THR 21 N 0.67 0.00 -0.80 -2.88 1.35 -1.23 0.15 112.91 110.17 1fa6 h THR 21 Ca 0.36 -0.26 0.01 0.00 -0.55 0.00 0.00 66.41 65.96 1fa6 h THR 21 Cb 0.48 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 66.86 1fa6 h THR 21 CO -0.13 0.00 0.53 0.11 -0.25 0.00 0.00 175.52 175.78 1fa6 h LYS 22 N -0.26 1.05 0.08 4.72 1.57 -1.07 0.15 116.57 122.81 1fa6 h LYS 22 Ca 0.00 -0.06 -0.25 0.00 -1.87 0.00 0.00 60.65 58.46 1fa6 h LYS 22 Cb 0.06 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1fa6 h LYS 22 CO 0.00 0.69 -1.32 0.28 -0.57 0.00 0.00 179.45 178.53 1fa6 h VAL 23 N 1.08 1.03 -0.00 0.50 2.07 -1.16 -3.39 116.25 116.37 1fa6 h VAL 23 Ca 0.29 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.47 1fa6 h VAL 23 Cb -0.12 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1fa6 h VAL 23 CO -0.06 0.63 -0.52 0.18 0.02 0.00 0.00 177.57 177.81 1fa6 n LEU 24 N -4.05 0.80 0.00 2.57 4.77 -0.82 -4.88 117.00 115.39 1fa6 n LEU 24 Ca -0.26 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 1fa6 n LEU 24 Cb 0.83 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 1fa6 n LEU 24 CO 0.36 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1fa6 n GLY 25 N 1.46 0.58 3.91 -0.72 0.00 0.50 -4.95 105.19 105.97 1fa6 n GLY 25 Ca 0.07 -0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 1fa6 n GLY 25 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1fa6 s MET 26 N -0.58 1.89 0.12 1.61 -1.94 0.50 -4.92 119.30 115.99 1fa6 s MET 26 Ca 0.00 -0.03 0.11 0.00 -1.71 0.00 0.00 55.69 54.05 1fa6 s MET 26 Cb 0.00 -2.00 -0.04 0.00 2.01 0.00 0.00 34.83 34.81 1fa6 s MET 26 CO 0.00 -1.59 -0.27 0.15 -0.01 0.00 0.00 175.02 173.31 1fa6 s LYS 27 N -5.53 1.44 -0.44 2.03 1.02 -0.16 -4.04 119.74 114.06 1fa6 s LYS 27 Ca 0.63 -1.31 -0.29 0.00 0.02 0.00 0.00 55.97 55.02 1fa6 s LYS 27 Cb -0.10 -1.89 0.03 0.00 -0.52 0.00 0.00 37.83 35.35 1fa6 s LYS 27 CO 0.48 0.45 1.10 -1.17 -0.92 0.00 0.00 175.35 175.29 1fa6 s LEU 28 N -1.95 3.74 -0.03 3.17 2.96 -1.26 -1.90 118.68 123.41 1fa6 s LEU 28 Ca 0.13 0.58 -0.16 0.00 -0.22 0.00 0.00 54.13 54.46 1fa6 s LEU 28 Cb -0.10 -3.51 -0.32 0.00 0.50 0.00 0.00 46.19 42.76 1fa6 s LEU 28 CO 0.05 -1.14 0.82 -0.07 -1.32 0.00 0.00 176.35 174.70 1fa6 h LEU 29 N 10.87 0.63 -7.00 -0.68 3.38 -1.04 -3.49 115.31 117.98 1fa6 h LEU 29 Ca -0.22 -0.92 0.20 0.00 0.09 0.00 0.00 57.88 57.03 1fa6 h LEU 29 Cb 1.06 -0.21 -0.21 0.00 0.09 0.00 0.00 40.66 41.39 1fa6 h LEU 29 CO 1.09 1.64 0.76 0.00 0.09 0.00 0.00 178.44 182.03 1fa6 s ARG 30 N -2.53 0.35 0.05 1.13 1.70 -1.21 -5.00 118.95 113.45 1fa6 s ARG 30 Ca -0.14 -0.05 0.02 0.00 -0.47 0.00 0.00 55.73 55.09 1fa6 s ARG 30 Cb 0.04 0.16 -0.03 0.00 -0.57 0.00 0.00 34.95 34.55 1fa6 s ARG 30 CO 0.87 -0.14 -0.07 0.99 -1.08 0.00 0.00 175.30 175.88 1fa6 s THR 31 N -1.88 0.49 0.09 4.99 2.01 -1.26 -0.47 115.64 119.61 1fa6 s THR 31 Ca 0.07 -1.29 -0.08 0.00 0.31 0.00 0.00 61.69 60.70 1fa6 s THR 31 Cb -0.01 -0.85 -0.00 0.00 0.01 0.00 0.00 72.50 71.65 1fa6 s THR 31 CO -0.04 -0.54 0.19 -0.94 -0.69 0.00 0.00 174.62 172.59 1fa6 s SER 32 N -1.96 0.13 0.01 3.53 1.04 0.22 -4.98 113.70 111.69 1fa6 s SER 32 Ca -0.05 -0.68 0.04 0.00 0.48 0.00 0.00 55.95 55.74 1fa6 s SER 32 Cb -0.06 0.34 -0.01 0.00 0.10 0.00 0.00 66.02 66.39 1fa6 s SER 32 CO -0.02 -0.74 -0.14 -1.61 0.98 0.00 0.00 173.24 171.72 1fa6 s GLU 33 N -3.87 1.05 -0.51 4.02 0.41 -1.26 -1.09 118.70 117.44 1fa6 s GLU 33 Ca 0.06 -0.57 0.03 0.00 -0.41 0.00 0.00 54.97 54.08 1fa6 s GLU 33 Cb 0.05 -1.03 0.14 0.00 -1.78 0.00 0.00 34.13 31.51 1fa6 s GLU 33 CO -0.10 0.27 0.30 1.21 -0.49 0.00 0.00 175.26 176.45 1fa6 s ASN 34 N -0.59 3.91 0.23 -0.19 3.04 -0.13 -4.97 114.94 116.24 1fa6 s ASN 34 Ca 0.04 -2.99 -0.07 0.00 0.04 0.00 0.00 52.86 49.88 1fa6 s ASN 34 Cb -0.06 -1.29 0.29 0.00 -1.54 0.00 0.00 41.25 38.66 1fa6 s ASN 34 CO 0.00 -0.22 1.85 -0.65 -3.04 0.00 0.00 177.10 175.04 1fa6 h PRO 35 N 6.35 0.90 -0.33 0.43 0.11 -1.97 0.46 132.00 137.95 1fa6 h PRO 35 Ca 0.01 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 66.14 1fa6 h PRO 35 Cb 0.88 -0.20 -0.08 0.00 0.11 0.00 0.00 31.00 31.71 1fa6 h PRO 35 CO 0.58 0.60 -0.26 1.49 -0.21 0.00 0.00 178.00 180.19 1fa6 h GLU 36 N 0.93 -0.22 -0.21 1.05 4.81 -1.95 -2.53 114.58 116.45 1fa6 h GLU 36 Ca 0.35 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.59 1fa6 h GLU 36 Cb 0.13 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1fa6 h GLU 36 CO -0.16 -0.15 0.00 0.66 -0.73 0.00 0.00 179.01 178.63 1fa6 n TYR 37 N -5.40 0.26 -3.35 0.92 4.02 -1.13 -4.99 117.16 107.50 1fa6 n TYR 37 Ca 0.00 -0.13 -0.17 0.00 -0.01 0.00 0.00 57.90 57.59 1fa6 n TYR 37 Cb 0.31 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.70 1fa6 n TYR 37 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1fa6 n LYS 38 N 0.93 -3.39 -3.71 -0.72 5.02 0.12 -4.91 118.16 111.51 1fa6 n LYS 38 Ca 0.17 0.82 -0.11 0.00 -2.02 0.00 0.00 58.31 57.17 1fa6 n LYS 38 Cb 0.48 -5.67 -0.06 0.00 -0.02 0.00 0.00 35.03 29.76 1fa6 n LYS 38 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1fa6 s TYR 39 N -3.40 -0.16 0.05 2.13 -0.85 -1.03 -1.33 117.35 112.76 1fa6 s TYR 39 Ca 0.32 -0.01 0.07 0.00 -0.52 0.00 0.00 57.07 56.93 1fa6 s TYR 39 Cb -0.05 0.16 -0.03 0.00 0.38 0.00 0.00 41.96 42.42 1fa6 s TYR 39 CO 0.75 -0.57 -0.19 -1.12 -1.52 0.00 0.00 175.55 172.90 1fa6 s SER 40 N -2.27 2.28 0.10 -0.18 0.01 0.24 -0.96 113.70 112.93 1fa6 s SER 40 Ca -0.03 -0.53 0.09 0.00 1.31 0.00 0.00 55.95 56.79 1fa6 s SER 40 Cb 0.00 -0.17 -0.03 0.00 0.21 0.00 0.00 66.02 66.03 1fa6 s SER 40 CO -0.05 0.11 -0.22 -0.76 0.41 0.00 0.00 173.24 172.72 1fa6 s LEU 41 N -1.28 2.28 -0.09 2.44 1.43 -0.25 -0.02 118.68 123.19 1fa6 s LEU 41 Ca 0.06 -0.68 -0.05 0.00 -1.03 0.00 0.00 54.13 52.43 1fa6 s LEU 41 Cb -0.09 -0.98 0.04 0.00 0.03 0.00 0.00 46.19 45.19 1fa6 s LEU 41 CO 0.02 0.10 0.22 0.00 0.23 0.00 0.00 176.35 176.92 1fa6 s ALA 42 N -1.08 -0.47 -0.24 4.21 0.00 -0.50 -0.61 121.76 123.07 1fa6 s ALA 42 Ca 0.08 0.91 -0.08 0.00 0.00 0.00 0.00 51.96 52.87 1fa6 s ALA 42 Cb -0.10 -0.60 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 1fa6 s ALA 42 CO 0.04 -0.21 0.08 -0.06 0.00 0.00 0.00 175.76 175.62 1fa6 s PHE 43 N 1.29 3.13 0.04 0.00 0.40 0.38 -0.12 117.98 123.10 1fa6 s PHE 43 Ca -0.09 -0.25 0.09 0.00 -0.60 0.00 0.00 56.93 56.08 1fa6 s PHE 43 Cb -0.11 -2.22 -0.03 0.00 0.51 0.00 0.00 43.02 41.17 1fa6 s PHE 43 CO -0.08 -0.23 -0.26 0.14 0.70 0.00 0.00 175.22 175.49 1fa6 s VAL 44 N 1.38 2.19 0.16 -0.44 -7.23 -0.33 -0.34 120.40 115.80 1fa6 s VAL 44 Ca 0.05 -1.34 -0.24 0.00 -1.81 0.00 0.00 61.98 58.65 1fa6 s VAL 44 Cb -0.15 -1.85 0.07 0.00 0.56 0.00 0.00 36.38 35.02 1fa6 s VAL 44 CO 0.04 0.39 1.03 -0.83 -0.31 0.00 0.00 175.10 175.42 1fa6 s GLY 45 N -1.18 -0.05 0.05 2.32 0.00 -0.80 -1.11 107.32 106.55 1fa6 s GLY 45 Ca 0.12 -0.09 0.23 0.00 0.00 0.00 0.00 44.72 44.98 1fa6 s GLY 45 CO 0.02 1.33 1.01 -1.72 0.00 0.00 0.00 173.10 173.74 1fa6 n TYR 46 N -0.60 0.27 -3.98 1.90 4.02 -1.26 -0.99 117.16 116.52 1fa6 n TYR 46 Ca -0.05 0.08 -0.13 0.00 -0.01 0.00 0.00 57.90 57.79 1fa6 n TYR 46 Cb 0.60 -0.44 -0.01 0.00 -0.02 0.00 0.00 39.34 39.47 1fa6 n TYR 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1fa6 n GLY 47 N 1.36 1.80 3.76 2.72 0.00 -1.26 -4.97 105.19 108.61 1fa6 n GLY 47 Ca 0.02 -1.52 -0.40 0.00 0.00 0.00 0.00 46.02 44.12 1fa6 n GLY 47 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1fa6 s PRO 48 N -2.60 4.45 0.47 1.61 0.02 -1.26 -4.82 135.00 132.86 1fa6 s PRO 48 Ca 0.25 1.99 0.24 0.00 0.02 0.00 0.00 61.00 63.50 1fa6 s PRO 48 Cb -0.02 -3.08 1.26 0.00 0.02 0.00 0.00 34.50 32.68 1fa6 s PRO 48 CO 0.18 -0.02 1.88 0.93 -0.33 0.00 0.00 177.00 179.64 1fa6 h GLU 49 N 3.49 0.21 0.00 5.54 5.08 -1.96 0.11 114.58 127.06 1fa6 h GLU 49 Ca -0.48 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 57.83 1fa6 h GLU 49 Cb 1.22 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1fa6 h GLU 49 CO 0.66 0.14 -0.19 1.79 -1.00 0.00 0.00 179.01 180.40 1fa6 h THR 50 N 0.22 0.86 0.00 1.13 1.35 -1.99 -3.28 112.91 111.20 1fa6 h THR 50 Ca 0.44 -0.74 -0.31 0.00 -0.55 0.00 0.00 66.41 65.24 1fa6 h THR 50 Cb 1.36 1.44 -0.06 0.00 -1.73 0.00 0.00 68.15 69.16 1fa6 h THR 50 CO -0.10 0.19 -2.15 -0.62 -0.25 0.00 0.00 175.52 172.59 1fa6 n GLU 51 N -3.90 1.09 -4.16 4.72 1.02 0.27 -5.07 120.64 114.61 1fa6 n GLU 51 Ca -0.02 0.03 -0.12 0.00 -0.02 0.00 0.00 57.16 57.03 1fa6 n GLU 51 Cb 0.29 -1.42 -0.09 0.00 -0.02 0.00 0.00 31.44 30.19 1fa6 n GLU 51 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1fa6 s GLU 52 N -2.41 1.34 0.37 3.49 -1.05 -0.49 -5.04 118.70 114.91 1fa6 s GLU 52 Ca -0.14 -1.58 -0.26 0.00 -0.15 0.00 0.00 54.97 52.84 1fa6 s GLU 52 Cb 0.06 0.32 -0.09 0.00 -0.44 0.00 0.00 34.13 33.98 1fa6 s GLU 52 CO 0.63 -0.48 1.15 0.00 0.95 0.00 0.00 175.26 177.51 1fa6 s ALA 53 N -4.04 3.22 0.26 -0.84 0.00 -1.26 -4.31 121.76 114.79 1fa6 s ALA 53 Ca 0.35 0.94 0.04 0.00 0.00 0.00 0.00 51.96 53.29 1fa6 s ALA 53 Cb 0.05 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 1fa6 s ALA 53 CO 0.13 -0.42 0.14 1.33 0.00 0.00 0.00 175.76 176.93 1fa6 n VAL 54 N 0.31 0.00 -4.77 0.00 0.24 -0.32 -4.77 118.33 109.03 1fa6 n VAL 54 Ca 0.03 -1.64 -0.33 0.00 -2.04 0.00 0.00 64.34 60.36 1fa6 n VAL 54 Cb 0.46 0.68 -0.13 0.00 -1.47 0.00 0.00 33.84 33.38 1fa6 n VAL 54 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1fa6 s ILE 55 N -2.72 3.18 -0.26 1.34 1.01 -0.26 -2.08 121.20 121.40 1fa6 s ILE 55 Ca 0.19 -0.64 -0.08 0.00 0.00 0.00 0.00 60.65 60.13 1fa6 s ILE 55 Cb 0.01 -2.31 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 1fa6 s ILE 55 CO 0.14 0.55 0.09 -0.70 0.00 0.00 0.00 174.94 175.01 1fa6 s GLU 56 N -0.08 3.57 -0.22 2.79 2.12 -0.07 -1.18 118.70 125.64 1fa6 s GLU 56 Ca -0.02 -0.54 -0.08 0.00 0.36 0.00 0.00 54.97 54.69 1fa6 s GLU 56 Cb -0.14 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 1fa6 s GLU 56 CO 0.04 -0.24 0.10 -0.51 -0.54 0.00 0.00 175.26 174.10 1fa6 s LEU 57 N 1.61 3.85 -0.17 2.70 1.43 0.83 -0.91 118.68 128.01 1fa6 s LEU 57 Ca 0.06 0.04 -0.02 0.00 -1.03 0.00 0.00 54.13 53.17 1fa6 s LEU 57 Cb -0.16 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 1fa6 s LEU 57 CO 0.04 0.09 -0.08 -0.89 0.23 0.00 0.00 176.35 175.74 1fa6 s THR 58 N 0.86 3.25 -0.22 5.49 2.01 -0.47 -1.41 115.64 125.15 1fa6 s THR 58 Ca 0.05 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 61.51 1fa6 s THR 58 Cb -0.13 -2.42 0.04 0.00 0.01 0.00 0.00 72.50 70.00 1fa6 s THR 58 CO 0.03 0.48 -0.15 -0.47 -0.69 0.00 0.00 174.62 173.81 1fa6 s TYR 59 N 0.89 3.05 -0.30 4.92 5.04 0.97 -0.28 117.35 131.63 1fa6 s TYR 59 Ca -0.02 -2.02 -0.18 0.00 -2.44 0.00 0.00 57.07 52.42 1fa6 s TYR 59 Cb -0.15 -1.93 -0.02 0.00 0.35 0.00 0.00 41.96 40.22 1fa6 s TYR 59 CO 0.00 -0.85 0.49 -0.80 -1.34 0.00 0.00 175.55 173.06 1fa6 s ASN 60 N 1.19 6.36 -0.23 4.32 0.01 -1.26 0.81 114.94 126.13 1fa6 s ASN 60 Ca -0.03 0.27 -0.41 0.00 -0.71 0.00 0.00 52.86 51.98 1fa6 s ASN 60 Cb -0.17 -2.27 -0.17 0.00 0.41 0.00 0.00 41.25 39.05 1fa6 s ASN 60 CO -0.09 -0.35 1.56 0.79 -1.51 0.00 0.00 177.10 177.50 1fa6 n TRP 61 N 5.60 1.73 -0.66 2.20 8.01 -0.44 -0.66 117.44 133.21 1fa6 n TRP 61 Ca -0.05 0.76 0.00 0.00 -1.31 0.00 0.00 57.50 56.90 1fa6 n TRP 61 Cb 0.50 -2.34 0.00 0.00 -2.01 0.00 0.00 31.31 27.46 1fa6 n TRP 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1fa6 n GLY 62 N 3.54 1.22 3.40 6.99 0.00 -1.26 -5.01 105.19 114.06 1fa6 n GLY 62 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.89 1fa6 n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fa6 s VAL 63 N -3.48 4.44 -1.31 1.61 1.01 0.16 -4.95 120.40 117.89 1fa6 s VAL 63 Ca 0.00 -0.63 0.11 0.00 0.00 0.00 0.00 61.98 61.46 1fa6 s VAL 63 Cb 0.00 -3.34 0.11 0.00 0.00 0.00 0.00 36.38 33.15 1fa6 s VAL 63 CO 0.00 -0.03 0.88 -0.90 0.00 0.00 0.00 175.10 175.06 1fa6 n ASP 64 N 4.96 2.01 -3.69 3.32 3.85 -1.26 -4.55 116.55 121.18 1fa6 n ASP 64 Ca -0.13 -1.51 -0.15 0.00 -0.71 0.00 0.00 54.79 52.29 1fa6 n ASP 64 Cb 0.48 -0.02 -0.08 0.00 -1.35 0.00 0.00 41.12 40.15 1fa6 n ASP 64 CO 0.00 0.00 0.00 -0.75 -1.01 0.00 0.00 177.20 175.44 1fa6 s LYS 65 N -0.91 0.76 0.30 0.11 2.47 -1.26 -4.31 119.74 116.90 1fa6 s LYS 65 Ca 0.14 -0.02 0.04 0.00 -1.56 0.00 0.00 55.97 54.57 1fa6 s LYS 65 Cb 0.09 0.35 -0.04 0.00 -1.46 0.00 0.00 37.83 36.78 1fa6 s LYS 65 CO 0.14 -0.22 0.18 0.71 0.16 0.00 0.00 175.35 176.32 1fa6 s TYR 66 N -1.19 1.60 -0.35 4.03 1.51 -1.26 -5.03 117.35 116.66 1fa6 s TYR 66 Ca -0.12 -1.42 -0.12 0.00 -1.01 0.00 0.00 57.07 54.40 1fa6 s TYR 66 Cb -0.04 -0.82 0.00 0.00 -0.11 0.00 0.00 41.96 40.99 1fa6 s TYR 66 CO 0.06 -0.59 0.21 -1.21 -1.11 0.00 0.00 175.55 172.91 1fa6 s GLU 67 N -3.78 3.23 0.37 -0.62 2.02 -1.26 -4.97 118.70 113.69 1fa6 s GLU 67 Ca 0.36 -0.81 0.05 0.00 0.02 0.00 0.00 54.97 54.59 1fa6 s GLU 67 Cb 0.05 -3.73 0.72 0.00 0.10 0.00 0.00 34.13 31.27 1fa6 s GLU 67 CO 0.19 -0.53 1.98 1.25 0.02 0.00 0.00 175.26 178.16 1fa6 h LEU 68 N 8.45 0.51 0.00 1.80 5.85 -2.00 -3.49 115.31 126.43 1fa6 h LEU 68 Ca -0.30 -0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.42 1fa6 h LEU 68 Cb 1.14 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1fa6 h LEU 68 CO 0.65 0.46 -0.06 0.61 -0.34 0.00 0.00 178.44 179.75 1fa6 n GLY 69 N -1.22 -2.02 0.05 3.75 0.00 -1.26 -4.63 105.19 99.86 1fa6 n GLY 69 Ca 0.03 -1.39 0.01 0.00 0.00 0.00 0.00 46.02 44.66 1fa6 n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fa6 n THR 70 N -1.15 0.00 -0.06 2.61 -2.24 -1.26 -4.80 114.28 107.38 1fa6 n THR 70 Ca 0.00 -0.50 -0.05 0.00 -2.27 0.00 0.00 64.05 61.23 1fa6 n THR 70 Cb 0.08 1.03 -0.04 0.00 -2.10 0.00 0.00 70.33 69.30 1fa6 n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fa6 h ALA 71 N 0.29 0.02 -2.82 6.98 0.00 -2.02 -3.46 119.26 118.25 1fa6 h ALA 71 Ca 0.00 -0.30 -0.53 0.00 0.00 0.00 0.00 54.91 54.08 1fa6 h ALA 71 Cb 0.06 0.16 0.09 0.00 0.00 0.00 0.00 17.79 18.10 1fa6 h ALA 71 CO 0.00 0.16 0.87 0.98 0.00 0.00 0.00 179.25 181.26 1fa6 n TYR 72 N -4.69 2.91 0.00 0.00 9.36 -1.26 -4.96 117.16 118.52 1fa6 n TYR 72 Ca -0.06 0.28 0.00 0.00 3.32 0.00 0.00 57.90 61.44 1fa6 n TYR 72 Cb 0.20 -2.59 0.00 0.00 -0.63 0.00 0.00 39.34 36.32 1fa6 n TYR 72 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1fa6 n GLY 73 N 1.87 -0.14 2.92 2.98 0.00 -1.26 -5.05 105.19 106.51 1fa6 n GLY 73 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.10 1fa6 n GLY 73 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1fa6 n HIS 74 N -1.50 -0.57 -5.07 1.61 1.44 -1.26 -4.46 115.22 105.40 1fa6 n HIS 74 Ca 0.00 -0.65 -0.30 0.00 -2.01 0.00 0.00 57.72 54.76 1fa6 n HIS 74 Cb 0.00 0.30 -0.17 0.00 0.12 0.00 0.00 29.99 30.25 1fa6 n HIS 74 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1fa6 s ILE 75 N -2.09 1.85 -0.16 0.61 1.01 -1.16 -5.01 121.20 116.25 1fa6 s ILE 75 Ca 0.21 -0.90 -0.08 0.00 0.00 0.00 0.00 60.65 59.88 1fa6 s ILE 75 Cb -0.01 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 1fa6 s ILE 75 CO 0.01 0.51 0.12 0.00 0.00 0.00 0.00 174.94 175.58 1fa6 s ALA 76 N 0.42 3.70 0.01 9.38 0.00 -1.26 -1.50 121.76 132.51 1fa6 s ALA 76 Ca -0.18 -0.68 0.05 0.00 0.00 0.00 0.00 51.96 51.15 1fa6 s ALA 76 Cb -0.17 -2.00 -0.02 0.00 0.00 0.00 0.00 23.12 20.93 1fa6 s ALA 76 CO 0.08 0.39 -0.16 -0.51 0.00 0.00 0.00 175.76 175.55 1fa6 s LEU 77 N -0.32 2.09 0.22 0.00 1.43 0.43 -4.95 118.68 117.58 1fa6 s LEU 77 Ca 0.11 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 52.53 1fa6 s LEU 77 Cb -0.12 -0.79 -0.08 0.00 0.03 0.00 0.00 46.19 45.23 1fa6 s LEU 77 CO 0.01 0.15 1.09 -0.94 0.23 0.00 0.00 176.35 176.88 1fa6 s SER 78 N -0.73 7.30 0.02 2.29 1.04 -1.26 -0.94 113.70 121.43 1fa6 s SER 78 Ca 0.05 2.15 0.08 0.00 0.48 0.00 0.00 55.95 58.71 1fa6 s SER 78 Cb -0.07 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.41 1fa6 s SER 78 CO 0.00 -0.16 -0.24 0.54 0.98 0.00 0.00 173.24 174.37 1fa6 s VAL 79 N -0.66 1.89 0.09 5.02 0.11 0.38 -4.82 120.40 122.41 1fa6 s VAL 79 Ca 0.47 -1.20 -0.18 0.00 -2.93 0.00 0.00 61.98 58.14 1fa6 s VAL 79 Cb -0.30 -1.61 -0.08 0.00 -1.53 0.00 0.00 36.38 32.86 1fa6 s VAL 79 CO 0.37 0.37 1.50 0.44 -3.33 0.00 0.00 175.10 174.45 1fa6 h ASP 80 N 5.07 0.48 -2.40 3.54 3.32 -1.96 -3.39 116.42 121.08 1fa6 h ASP 80 Ca -0.43 -0.33 -0.42 0.00 0.02 0.00 0.00 57.03 55.87 1fa6 h ASP 80 Cb 1.14 -0.13 -0.36 0.00 0.22 0.00 0.00 39.33 40.21 1fa6 h ASP 80 CO 0.45 0.70 -0.70 0.21 -1.72 0.00 0.00 179.24 178.18 1fa6 s ASN 81 N -6.02 2.41 0.13 6.45 3.84 -1.26 -4.98 114.94 115.50 1fa6 s ASN 81 Ca -0.14 -1.04 -0.24 0.00 0.21 0.00 0.00 52.86 51.66 1fa6 s ASN 81 Cb 0.08 0.15 -0.04 0.00 -0.55 0.00 0.00 41.25 40.89 1fa6 s ASN 81 CO 0.76 -0.40 1.66 0.00 -2.79 0.00 0.00 177.10 176.33 1fa6 h ALA 82 N 8.23 -0.18 -0.48 1.71 0.00 -1.94 -0.01 119.26 126.59 1fa6 h ALA 82 Ca -0.14 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.86 1fa6 h ALA 82 Cb 1.05 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 19.12 1fa6 h ALA 82 CO 0.37 -0.66 0.13 0.00 0.00 0.00 0.00 179.25 179.09 1fa6 h ALA 83 N 0.69 0.56 -0.36 0.00 0.00 -1.96 -1.29 119.26 116.90 1fa6 h ALA 83 Ca 0.08 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1fa6 h ALA 83 Cb 0.37 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1fa6 h ALA 83 CO -0.22 -0.27 0.18 1.49 0.00 0.00 0.00 179.25 180.44 1fa6 h GLU 84 N 0.29 0.52 -0.89 0.00 4.22 -1.90 -1.89 114.58 114.92 1fa6 h GLU 84 Ca 0.23 -0.07 0.10 0.00 0.08 0.00 0.00 59.36 59.70 1fa6 h GLU 84 Cb 0.28 -0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.36 1fa6 h GLU 84 CO -0.27 0.45 0.53 0.00 -2.18 0.00 0.00 179.01 177.54 1fa6 h ALA 85 N 1.04 1.28 -0.80 2.92 0.00 -0.35 0.21 119.26 123.56 1fa6 h ALA 85 Ca 0.13 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1fa6 h ALA 85 Cb 0.09 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1fa6 h ALA 85 CO -0.02 0.17 0.49 0.00 0.00 0.00 0.00 179.25 179.90 1fa6 h GLU 87 N 1.09 -0.24 -0.74 0.00 4.39 -0.24 -1.06 114.58 117.78 1fa6 h GLU 87 Ca 0.29 0.02 0.12 0.00 0.34 0.00 0.00 59.36 60.12 1fa6 h GLU 87 Cb -0.07 0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 28.55 1fa6 h GLU 87 CO -0.06 0.08 0.34 -0.22 -1.16 0.00 0.00 179.01 177.99 1fa6 h LYS 88 N -0.57 0.51 -0.02 2.33 3.64 -0.68 -2.18 116.57 119.61 1fa6 h LYS 88 Ca -0.03 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1fa6 h LYS 88 Cb 0.43 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1fa6 h LYS 88 CO 0.04 0.34 0.01 0.82 -2.27 0.00 0.00 179.45 178.39 1fa6 h ILE 89 N 0.53 1.07 -0.27 2.00 2.04 0.15 -2.52 117.51 120.51 1fa6 h ILE 89 Ca 0.39 -0.20 0.08 0.00 1.00 0.00 0.00 64.86 66.12 1fa6 h ILE 89 Cb 0.51 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1fa6 h ILE 89 CO -0.34 0.05 0.26 -0.09 0.00 0.00 0.00 178.15 178.04 1fa6 h ARG 90 N -0.05 0.00 -0.26 2.37 2.43 -0.58 -1.62 114.38 116.67 1fa6 h ARG 90 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1fa6 h ARG 90 Cb 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1fa6 h ARG 90 CO -0.00 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.46 1fa6 n GLN 91 N -3.94 2.82 -2.78 0.20 10.64 -0.97 -4.67 117.38 118.68 1fa6 n GLN 91 Ca 0.04 -2.42 -0.11 0.00 -1.83 0.00 0.00 57.00 52.68 1fa6 n GLN 91 Cb 0.41 -1.54 0.02 0.00 -0.86 0.00 0.00 30.24 28.27 1fa6 n GLN 91 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1fa6 n ASN 92 N -0.14 1.31 -2.65 2.61 3.02 -0.62 -5.00 115.26 113.78 1fa6 n ASN 92 Ca 0.16 -2.78 -0.02 0.00 -0.03 0.00 0.00 54.58 51.90 1fa6 n ASN 92 Cb 0.65 -0.55 0.01 0.00 -0.61 0.00 0.00 39.78 39.28 1fa6 n ASN 92 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fa6 n GLY 93 N 0.01 -0.90 3.58 7.41 0.00 -1.25 -4.93 105.19 109.12 1fa6 n GLY 93 Ca 0.13 0.30 -0.05 0.00 0.00 0.00 0.00 46.02 46.39 1fa6 n GLY 93 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fa6 s GLY 94 N -2.84 -0.36 0.08 -0.02 0.00 -1.14 -4.31 107.32 98.74 1fa6 s GLY 94 Ca 0.07 1.16 0.09 0.00 0.00 0.00 0.00 44.72 46.04 1fa6 s GLY 94 CO 0.54 0.37 -0.24 -1.31 0.00 0.00 0.00 173.10 172.46 1fa6 s ASN 95 N -2.44 3.43 -0.32 1.64 0.01 -1.25 -4.30 114.94 111.72 1fa6 s ASN 95 Ca 0.09 -0.61 -0.03 0.00 -0.71 0.00 0.00 52.86 51.60 1fa6 s ASN 95 Cb -0.00 -0.36 0.05 0.00 0.41 0.00 0.00 41.25 41.35 1fa6 s ASN 95 CO -0.05 0.22 0.04 -0.69 -1.51 0.00 0.00 177.10 175.10 1fa6 s VAL 96 N -0.96 3.22 -0.71 1.60 1.01 -1.26 -1.53 120.40 121.77 1fa6 s VAL 96 Ca 0.14 -1.35 0.24 0.00 0.00 0.00 0.00 61.98 61.01 1fa6 s VAL 96 Cb -0.10 -2.86 0.02 0.00 0.00 0.00 0.00 36.38 33.44 1fa6 s VAL 96 CO 0.05 -0.15 1.30 0.35 0.00 0.00 0.00 175.10 176.64 1fa6 n THR 97 N 4.67 0.25 -3.30 3.92 -2.24 -0.33 -4.70 114.28 112.56 1fa6 n THR 97 Ca -0.12 -0.21 -0.08 0.00 -2.27 0.00 0.00 64.05 61.36 1fa6 n THR 97 Cb 0.44 -0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.60 1fa6 n THR 97 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1fa6 s ARG 98 N -3.14 0.41 0.58 -0.78 3.00 -0.80 -4.91 118.95 113.32 1fa6 s ARG 98 Ca 0.07 0.23 -0.19 0.00 -1.00 0.00 0.00 55.73 54.85 1fa6 s ARG 98 Cb 0.14 -0.30 -0.06 0.00 0.00 0.00 0.00 34.95 34.73 1fa6 s ARG 98 CO 0.73 -0.96 0.82 0.39 0.00 0.00 0.00 175.30 176.28 1fa6 n GLU 99 N 5.36 0.79 -1.72 5.12 -0.58 -1.26 -1.49 120.64 126.86 1fa6 n GLU 99 Ca -0.00 0.31 -0.42 0.00 -0.42 0.00 0.00 57.16 56.62 1fa6 n GLU 99 Cb 0.50 -2.00 -0.03 0.00 -0.57 0.00 0.00 31.44 29.33 1fa6 n GLU 99 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1fa6 n ALA 100 N -1.65 2.77 0.00 0.62 0.00 -1.26 -4.62 120.51 116.36 1fa6 n ALA 100 Ca 0.13 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1fa6 n ALA 100 Cb 0.47 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.40 1fa6 n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fa6 n GLY 101 N 3.92 1.14 3.36 0.00 0.00 -0.50 -4.94 105.19 108.17 1fa6 n GLY 101 Ca 0.16 -0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 1fa6 n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1fa6 n PRO 102 N -0.12 0.26 -2.72 1.61 -0.01 -1.26 -1.98 135.00 130.78 1fa6 n PRO 102 Ca 0.00 0.10 -0.40 0.00 -0.01 0.00 0.00 63.50 63.19 1fa6 n PRO 102 Cb 0.00 -1.31 -0.06 0.00 -0.01 0.00 0.00 33.50 32.12 1fa6 n PRO 102 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 175.50 176.03 1fa6 s VAL 103 N -1.79 4.07 -0.27 -1.45 0.11 0.16 -4.77 120.40 116.47 1fa6 s VAL 103 Ca 0.62 2.04 -0.38 0.00 -2.93 0.00 0.00 61.98 61.33 1fa6 s VAL 103 Cb -0.51 -4.30 -0.14 0.00 -1.53 0.00 0.00 36.38 29.90 1fa6 s VAL 103 CO 0.60 0.46 1.89 1.17 -3.33 0.00 0.00 175.10 175.90 1fa6 n LYS 104 N 1.64 1.28 -0.89 1.54 4.81 -1.26 0.84 118.16 126.12 1fa6 n LYS 104 Ca -0.01 0.45 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 1fa6 n LYS 104 Cb 0.47 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 33.26 1fa6 n LYS 104 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1fa6 n GLY 105 N 4.89 0.51 0.00 3.14 0.00 -1.26 -5.01 105.19 107.46 1fa6 n GLY 105 Ca 0.30 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1fa6 n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fa6 n GLY 106 N -2.89 4.96 0.00 -0.02 0.00 0.25 -5.07 105.19 102.42 1fa6 n GLY 106 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.56 1fa6 n GLY 106 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fa6 n THR 107 N 0.00 0.00 -1.68 2.61 -2.24 -1.26 -4.48 114.28 107.22 1fa6 n THR 107 Ca 0.00 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.33 1fa6 n THR 107 Cb 0.00 -0.48 -0.04 0.00 -2.10 0.00 0.00 70.33 67.71 1fa6 n THR 107 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1fa6 n THR 108 N -1.35 0.20 -2.64 4.28 -1.04 -1.26 -4.53 114.28 107.94 1fa6 n THR 108 Ca 0.00 -0.04 -0.42 0.00 -2.04 0.00 0.00 64.05 61.56 1fa6 n THR 108 Cb 0.26 -1.80 -0.03 0.00 -1.82 0.00 0.00 70.33 66.94 1fa6 n THR 108 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1fa6 s VAL 109 N 1.99 4.56 0.08 12.58 1.01 -1.26 -0.66 120.40 138.70 1fa6 s VAL 109 Ca 0.82 1.90 -0.03 0.00 0.00 0.00 0.00 61.98 64.67 1fa6 s VAL 109 Cb -0.61 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.52 1fa6 s VAL 109 CO 0.40 0.19 0.05 0.27 0.00 0.00 0.00 175.10 176.00 1fa6 s ILE 110 N 0.76 0.17 0.20 2.22 -4.36 -0.84 -1.09 121.20 118.26 1fa6 s ILE 110 Ca 0.52 -1.68 -0.12 0.00 -0.26 0.00 0.00 60.65 59.11 1fa6 s ILE 110 Cb -0.24 -1.60 0.00 0.00 1.25 0.00 0.00 42.46 41.88 1fa6 s ILE 110 CO 0.29 -0.79 0.40 0.00 0.24 0.00 0.00 174.94 175.08 1fa6 s ALA 111 N -3.93 -0.30 -0.02 2.27 0.00 -0.35 -1.41 121.76 118.01 1fa6 s ALA 111 Ca 0.10 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.37 1fa6 s ALA 111 Cb 0.07 0.93 0.00 0.00 0.00 0.00 0.00 23.12 24.12 1fa6 s ALA 111 CO -0.07 -0.75 -0.10 -0.06 0.00 0.00 0.00 175.76 174.78 1fa6 s PHE 112 N -3.96 1.02 0.27 0.00 0.40 -0.55 -0.65 117.98 114.50 1fa6 s PHE 112 Ca 0.17 -0.25 0.02 0.00 -0.60 0.00 0.00 56.93 56.27 1fa6 s PHE 112 Cb 0.01 -0.71 -0.03 0.00 0.51 0.00 0.00 43.02 42.80 1fa6 s PHE 112 CO 0.02 -0.09 0.23 0.14 0.70 0.00 0.00 175.22 176.21 1fa6 s VAL 113 N 0.11 0.00 -0.02 -0.44 -7.23 0.26 -1.18 120.40 111.89 1fa6 s VAL 113 Ca -0.02 -1.96 0.07 0.00 -1.81 0.00 0.00 61.98 58.26 1fa6 s VAL 113 Cb -0.08 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.34 1fa6 s VAL 113 CO 0.00 0.00 -0.23 -1.61 -0.31 0.00 0.00 175.10 172.95 1fa6 s GLU 114 N -3.78 1.93 0.85 4.82 2.02 -0.58 0.06 118.70 124.02 1fa6 s GLU 114 Ca 0.39 -0.83 -0.12 0.00 0.02 0.00 0.00 54.97 54.43 1fa6 s GLU 114 Cb 0.04 -1.83 0.19 0.00 0.10 0.00 0.00 34.13 32.63 1fa6 s GLU 114 CO 0.19 0.48 1.16 -0.40 0.02 0.00 0.00 175.26 176.71 1fa6 n ASP 115 N 2.57 0.30 0.31 -0.19 3.85 -0.29 -3.76 116.55 119.35 1fa6 n ASP 115 Ca -0.16 -1.55 0.21 0.00 -0.71 0.00 0.00 54.79 52.58 1fa6 n ASP 115 Cb 0.52 -0.86 1.09 0.00 -1.35 0.00 0.00 41.12 40.52 1fa6 n ASP 115 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.20 175.54 1fa6 h PRO 116 N 0.00 0.00 -0.39 0.11 0.11 -1.91 -1.67 132.00 128.25 1fa6 h PRO 116 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1fa6 h PRO 116 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1fa6 h PRO 116 CO 0.29 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.83 1fa6 n ASP 117 N -2.97 3.40 0.00 -2.05 9.92 -1.26 -4.94 116.55 118.65 1fa6 n ASP 117 Ca -0.02 -1.97 0.00 0.00 -0.53 0.00 0.00 54.79 52.27 1fa6 n ASP 117 Cb 0.09 -0.26 0.00 0.00 -0.64 0.00 0.00 41.12 40.31 1fa6 n ASP 117 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1fa6 n GLY 118 N 1.40 0.75 3.77 0.44 0.00 -0.63 -5.04 105.19 105.88 1fa6 n GLY 118 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1fa6 n GLY 118 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fa6 s TYR 119 N -2.53 3.09 0.11 1.61 1.51 -1.26 -4.70 117.35 115.18 1fa6 s TYR 119 Ca 0.00 1.51 -0.29 0.00 -1.01 0.00 0.00 57.07 57.28 1fa6 s TYR 119 Cb 0.00 -3.51 -0.06 0.00 -0.11 0.00 0.00 41.96 38.28 1fa6 s TYR 119 CO 0.00 -1.50 0.91 0.21 -1.11 0.00 0.00 175.55 174.06 1fa6 s LYS 120 N -2.02 4.66 -0.07 -0.62 2.20 -1.26 -1.14 119.74 121.49 1fa6 s LYS 120 Ca 0.53 1.35 0.01 0.00 -0.36 0.00 0.00 55.97 57.50 1fa6 s LYS 120 Cb -0.35 -3.36 0.02 0.00 -1.51 0.00 0.00 37.83 32.63 1fa6 s LYS 120 CO 0.45 0.28 -0.08 0.42 -0.36 0.00 0.00 175.35 176.06 1fa6 s ILE 121 N -0.18 0.88 -0.25 5.43 1.01 0.11 -3.01 121.20 125.18 1fa6 s ILE 121 Ca 0.44 -0.28 -0.11 0.00 0.00 0.00 0.00 60.65 60.69 1fa6 s ILE 121 Cb -0.23 -0.86 -0.05 0.00 0.01 0.00 0.00 42.46 41.33 1fa6 s ILE 121 CO 0.28 0.31 0.21 -0.70 0.00 0.00 0.00 174.94 175.04 1fa6 s GLU 122 N 1.11 4.03 -0.22 2.79 2.12 -0.56 -0.58 118.70 127.39 1fa6 s GLU 122 Ca -0.07 -0.22 -0.07 0.00 0.36 0.00 0.00 54.97 54.97 1fa6 s GLU 122 Cb -0.14 -3.59 -0.03 0.00 0.26 0.00 0.00 34.13 30.63 1fa6 s GLU 122 CO -0.01 -0.06 0.05 -0.51 -0.54 0.00 0.00 175.26 174.19 1fa6 s LEU 123 N 1.41 3.45 -0.19 2.70 1.43 0.17 -0.43 118.68 127.23 1fa6 s LEU 123 Ca 0.09 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 1fa6 s LEU 123 Cb -0.15 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.19 1fa6 s LEU 123 CO 0.08 0.03 -0.19 -0.63 0.23 0.00 0.00 176.35 175.87 1fa6 s ILE 124 N 1.19 2.12 -0.86 -0.59 1.01 -0.11 -1.21 121.20 122.75 1fa6 s ILE 124 Ca 0.04 -0.95 -0.20 0.00 0.00 0.00 0.00 60.65 59.54 1fa6 s ILE 124 Cb -0.14 -1.91 0.11 0.00 0.01 0.00 0.00 42.46 40.53 1fa6 s ILE 124 CO 0.03 0.51 1.10 -0.70 0.00 0.00 0.00 174.94 175.88 1fa6 s GLU 125 N 1.29 3.47 0.00 2.79 2.12 -0.25 -0.47 118.70 127.64 1fa6 s GLU 125 Ca 0.04 -1.47 0.00 0.00 0.36 0.00 0.00 54.97 53.90 1fa6 s GLU 125 Cb -0.13 -4.77 0.00 0.00 0.26 0.00 0.00 34.13 29.49 1fa6 s GLU 125 CO -0.12 -1.81 0.00 0.39 -0.54 0.00 0.00 175.26 173.18 1fa6 n GLU 126 N 7.01 1.82 0.00 4.30 1.02 -1.26 -4.19 120.64 129.33 1fa6 n GLU 126 Ca 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 1fa6 n GLU 126 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 1fa6 n GLU 126 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1fa6 n GLY 134 N 0.44 0.83 0.78 0.62 0.00 -1.26 -5.08 105.19 101.52 1fa6 n GLY 134 Ca 0.00 0.59 0.10 0.00 0.00 0.00 0.00 46.02 46.71 1fa6 n GLY 134 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48