#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 1.58 -0.20 0.03 1.70 -1.26 -5.12 118.95 115.67 1fa6 s ARG 2 Ca 0.00 -0.84 -0.29 0.00 -0.47 0.00 0.00 55.73 54.13 1fa6 s ARG 2 Cb 0.00 0.58 0.00 0.00 -0.57 0.00 0.00 34.95 34.97 1fa6 s ARG 2 CO 0.00 -0.71 1.08 -1.17 -1.08 0.00 0.00 175.30 173.42 1fa6 s LEU 3 N -2.87 4.13 -0.17 -1.89 0.20 -1.26 -4.95 118.68 111.87 1fa6 s LEU 3 Ca 0.09 1.46 -0.18 0.00 0.69 0.00 0.00 54.13 56.18 1fa6 s LEU 3 Cb -0.04 -3.54 -0.15 0.00 -0.43 0.00 0.00 46.19 42.03 1fa6 s LEU 3 CO 0.00 -0.66 0.22 -0.07 -0.29 0.00 0.00 176.35 175.55 1fa6 h LEU 4 N 9.32 0.00 -7.82 -0.68 3.38 -1.94 -3.37 115.31 114.20 1fa6 h LEU 4 Ca -0.22 -0.45 0.13 0.00 0.09 0.00 0.00 57.88 57.43 1fa6 h LEU 4 Cb 1.08 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.77 1fa6 h LEU 4 CO 0.96 1.15 0.42 -1.38 0.09 0.00 0.00 178.44 179.69 1fa6 s HIS 5 N -2.24 -0.08 -0.11 1.13 -3.43 -1.26 -1.04 115.29 108.26 1fa6 s HIS 5 Ca -0.21 -0.31 0.02 0.00 -0.80 0.00 0.00 55.06 53.75 1fa6 s HIS 5 Cb 0.03 0.69 0.02 0.00 -1.43 0.00 0.00 32.58 31.88 1fa6 s HIS 5 CO 0.48 -1.01 -0.14 0.99 -2.00 0.00 0.00 174.74 173.05 1fa6 s THR 6 N -3.13 1.43 -0.16 -5.38 2.01 -0.77 -4.92 115.64 104.72 1fa6 s THR 6 Ca 0.14 -0.60 -0.10 0.00 0.31 0.00 0.00 61.69 61.44 1fa6 s THR 6 Cb -0.03 -1.32 -0.05 0.00 0.01 0.00 0.00 72.50 71.11 1fa6 s THR 6 CO 0.05 0.43 0.17 -0.32 -0.69 0.00 0.00 174.62 174.26 1fa6 s MET 7 N 1.03 4.00 -0.03 4.92 1.75 -1.26 -0.64 119.30 129.07 1fa6 s MET 7 Ca -0.06 -0.12 0.03 0.00 -1.25 0.00 0.00 55.69 54.29 1fa6 s MET 7 Cb -0.15 -3.35 0.00 0.00 2.84 0.00 0.00 34.83 34.17 1fa6 s MET 7 CO -0.02 0.43 -0.11 -0.51 -0.65 0.00 0.00 175.02 174.16 1fa6 s LEU 8 N -0.04 1.83 -0.01 4.11 1.43 -0.05 -4.94 118.68 121.01 1fa6 s LEU 8 Ca 0.12 -0.22 -0.26 0.00 -1.03 0.00 0.00 54.13 52.74 1fa6 s LEU 8 Cb -0.12 -0.62 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 1fa6 s LEU 8 CO 0.01 0.09 0.83 -0.13 0.23 0.00 0.00 176.35 177.38 1fa6 s ARG 9 N 0.12 4.51 0.18 1.70 0.52 -1.26 -1.24 118.95 123.47 1fa6 s ARG 9 Ca -0.02 1.14 0.09 0.00 -0.52 0.00 0.00 55.73 56.42 1fa6 s ARG 9 Cb -0.09 -3.43 -0.04 0.00 0.52 0.00 0.00 34.95 31.91 1fa6 s ARG 9 CO 0.01 0.07 -0.12 0.14 0.02 0.00 0.00 175.30 175.41 1fa6 s VAL 10 N 0.69 3.04 -0.28 3.52 -7.23 0.11 -4.90 120.40 115.35 1fa6 s VAL 10 Ca 0.43 -1.71 0.20 0.00 -1.81 0.00 0.00 61.98 59.10 1fa6 s VAL 10 Cb -0.20 -2.49 0.13 0.00 0.56 0.00 0.00 36.38 34.38 1fa6 s VAL 10 CO 0.23 -0.10 1.34 1.23 -0.31 0.00 0.00 175.10 177.50 1fa6 h GLY 11 N 3.00 0.00 -6.60 2.32 0.00 -1.81 -3.42 103.07 96.56 1fa6 h GLY 11 Ca -0.47 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 46.63 1fa6 h GLY 11 CO 0.53 0.00 -0.55 -0.35 0.00 0.00 0.00 176.54 176.17 1fa6 s ASP 12 N -6.03 0.81 0.11 0.19 -1.08 -1.26 -4.31 116.67 105.09 1fa6 s ASP 12 Ca 0.03 -0.03 -0.34 0.00 -0.52 0.00 0.00 52.55 51.70 1fa6 s ASP 12 Cb 0.07 0.77 -0.13 0.00 -1.46 0.00 0.00 42.92 42.17 1fa6 s ASP 12 CO 0.73 -0.32 1.56 0.25 0.52 0.00 0.00 175.17 177.92 1fa6 h LEU 13 N 8.24 -1.51 -1.52 -1.34 5.85 -1.95 -1.47 115.31 121.62 1fa6 h LEU 13 Ca -0.18 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1fa6 h LEU 13 Cb 1.15 0.56 -0.02 0.00 0.37 0.00 0.00 40.66 42.72 1fa6 h LEU 13 CO 0.28 -0.55 0.08 -0.61 -0.34 0.00 0.00 178.44 177.31 1fa6 h GLN 14 N -0.74 0.40 -0.52 1.25 5.75 -1.98 0.15 115.11 119.42 1fa6 h GLN 14 Ca 0.00 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 1fa6 h GLN 14 Cb 0.75 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.20 1fa6 h GLN 14 CO -0.27 0.36 0.25 -0.09 -2.65 0.00 0.00 178.83 176.43 1fa6 h ARG 15 N 0.40 0.75 -0.24 1.69 2.43 -1.92 0.16 114.38 117.66 1fa6 h ARG 15 Ca 0.10 -0.11 -0.17 0.00 -0.81 0.00 0.00 59.98 58.99 1fa6 h ARG 15 Cb 0.13 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1fa6 h ARG 15 CO -0.01 0.62 -0.53 0.77 -1.51 0.00 0.00 179.97 179.31 1fa6 h SER 16 N 0.70 0.88 -0.22 -3.80 0.02 -0.68 -2.48 113.55 107.96 1fa6 h SER 16 Ca 0.18 -0.56 0.04 0.00 -0.84 0.00 0.00 61.79 60.61 1fa6 h SER 16 Cb 0.11 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.36 1fa6 h SER 16 CO -0.02 1.27 -0.02 0.40 -1.14 0.00 0.00 176.83 177.32 1fa6 h ILE 17 N 0.52 0.82 -0.59 3.27 2.04 -0.40 -1.55 117.51 121.62 1fa6 h ILE 17 Ca 0.00 -0.02 0.09 0.00 1.00 0.00 0.00 64.86 65.94 1fa6 h ILE 17 Cb 1.15 0.77 -0.07 0.00 -0.74 0.00 0.00 36.82 37.93 1fa6 h ILE 17 CO 0.12 0.01 0.21 0.44 0.00 0.00 0.00 178.15 178.93 1fa6 h ASP 18 N 0.05 0.20 0.63 1.72 3.32 -0.60 -1.35 116.42 120.38 1fa6 h ASP 18 Ca 0.11 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 1fa6 h ASP 18 Cb 0.14 0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.76 1fa6 h ASP 18 CO -0.19 0.12 -0.30 0.15 -1.72 0.00 0.00 179.24 177.30 1fa6 h PHE 19 N 0.39 -0.78 -0.73 4.55 3.57 -1.01 0.24 116.94 123.17 1fa6 h PHE 19 Ca 0.30 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 1fa6 h PHE 19 Cb 0.37 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.33 1fa6 h PHE 19 CO -0.17 -0.48 0.41 1.88 -2.23 0.00 0.00 178.31 177.72 1fa6 h TYR 20 N -0.86 0.97 0.00 0.41 -1.99 -1.15 -0.93 116.97 113.43 1fa6 h TYR 20 Ca -0.09 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.63 1fa6 h TYR 20 Cb 0.65 -0.32 0.00 0.00 2.00 0.00 0.00 36.73 39.06 1fa6 h TYR 20 CO -0.03 0.67 -0.05 1.79 -0.00 0.00 0.00 178.16 180.54 1fa6 h THR 21 N 1.01 0.00 -0.78 -2.88 1.35 -1.22 -0.55 112.91 109.83 1fa6 h THR 21 Ca 0.26 -0.18 0.05 0.00 -0.55 0.00 0.00 66.41 66.00 1fa6 h THR 21 Cb 0.01 0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 66.37 1fa6 h THR 21 CO -0.04 0.00 0.47 0.11 -0.25 0.00 0.00 175.52 175.81 1fa6 h LYS 22 N -0.18 0.85 0.00 4.72 1.57 -0.66 0.14 116.57 123.01 1fa6 h LYS 22 Ca 0.00 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 1fa6 h LYS 22 Cb 0.05 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1fa6 h LYS 22 CO 0.00 0.56 -0.63 0.28 -0.57 0.00 0.00 179.45 179.09 1fa6 h VAL 23 N 0.88 0.69 0.00 0.50 2.07 -1.21 -3.39 116.25 115.79 1fa6 h VAL 23 Ca 0.34 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 66.15 1fa6 h VAL 23 Cb 0.14 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1fa6 h VAL 23 CO -0.16 0.24 -0.10 0.18 0.02 0.00 0.00 177.57 177.75 1fa6 n LEU 24 N -4.57 0.59 0.00 2.57 4.77 -0.44 -4.92 117.00 115.00 1fa6 n LEU 24 Ca -0.16 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1fa6 n LEU 24 Cb 0.43 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1fa6 n LEU 24 CO 0.17 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 1fa6 n GLY 25 N 1.37 0.67 3.87 -0.72 0.00 0.48 -4.96 105.19 105.90 1fa6 n GLY 25 Ca 0.06 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.36 0.92 0.07 1.61 -1.94 -0.23 -4.90 119.30 114.47 1fa6 s MET 26 Ca 0.00 -0.12 0.09 0.00 -1.71 0.00 0.00 55.69 53.95 1fa6 s MET 26 Cb 0.00 -1.85 -0.03 0.00 2.01 0.00 0.00 34.83 34.96 1fa6 s MET 26 CO 0.00 -2.27 -0.24 0.15 -0.01 0.00 0.00 175.02 172.65 1fa6 s LYS 27 N -5.66 1.78 -0.29 2.03 -0.14 0.20 -4.26 119.74 113.41 1fa6 s LYS 27 Ca 0.69 -1.13 -0.29 0.00 -1.36 0.00 0.00 55.97 53.87 1fa6 s LYS 27 Cb -0.08 -2.02 0.00 0.00 -1.68 0.00 0.00 37.83 34.05 1fa6 s LYS 27 CO 0.52 0.50 1.22 -1.17 -0.76 0.00 0.00 175.35 175.67 1fa6 s LEU 28 N -1.53 3.94 -0.06 3.17 2.96 -1.26 -2.25 118.68 123.64 1fa6 s LEU 28 Ca 0.13 1.22 -0.05 0.00 -0.22 0.00 0.00 54.13 55.21 1fa6 s LEU 28 Cb -0.10 -3.54 -0.28 0.00 0.50 0.00 0.00 46.19 42.77 1fa6 s LEU 28 CO 0.04 -0.97 0.59 -0.07 -1.32 0.00 0.00 176.35 174.63 1fa6 h LEU 29 N 10.46 0.43 -7.00 -0.68 3.38 0.47 -3.49 115.31 118.88 1fa6 h LEU 29 Ca -0.24 -0.76 0.21 0.00 0.09 0.00 0.00 57.88 57.18 1fa6 h LEU 29 Cb 1.09 -0.14 -0.22 0.00 0.09 0.00 0.00 40.66 41.47 1fa6 h LEU 29 CO 1.03 1.66 0.80 0.00 0.09 0.00 0.00 178.44 182.01 1fa6 s ARG 30 N -2.58 0.30 0.27 1.13 1.70 -1.15 -4.98 118.95 113.64 1fa6 s ARG 30 Ca -0.16 -0.03 0.02 0.00 -0.47 0.00 0.00 55.73 55.10 1fa6 s ARG 30 Cb 0.06 0.14 -0.05 0.00 -0.57 0.00 0.00 34.95 34.53 1fa6 s ARG 30 CO 0.82 -0.11 0.08 0.95 -1.08 0.00 0.00 175.30 175.95 1fa6 s THR 31 N -1.75 0.72 0.03 4.99 -4.23 -1.26 0.12 115.64 114.25 1fa6 s THR 31 Ca 0.07 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.30 1fa6 s THR 31 Cb -0.01 -2.63 0.09 0.00 1.34 0.00 0.00 72.50 71.29 1fa6 s THR 31 CO -0.04 -0.04 1.00 -0.94 -0.54 0.00 0.00 174.62 174.06 1fa6 s SER 32 N -3.34 -0.23 0.01 3.99 1.04 -0.80 -4.97 113.70 109.39 1fa6 s SER 32 Ca 0.37 -0.16 -0.04 0.00 0.48 0.00 0.00 55.95 56.59 1fa6 s SER 32 Cb 0.08 0.37 -0.01 0.00 0.10 0.00 0.00 66.02 66.56 1fa6 s SER 32 CO 0.13 -0.64 0.06 -1.83 0.98 0.00 0.00 173.24 171.95 1fa6 s GLU 33 N -3.02 0.38 -0.18 4.02 4.04 -1.26 -0.88 118.70 121.79 1fa6 s GLU 33 Ca 0.09 -0.43 -0.04 0.00 0.04 0.00 0.00 54.97 54.62 1fa6 s GLU 33 Cb -0.00 0.15 0.06 0.00 0.02 0.00 0.00 34.13 34.36 1fa6 s GLU 33 CO -0.04 -0.08 0.08 1.21 -1.84 0.00 0.00 175.26 174.60 1fa6 s ASN 34 N -1.27 2.55 0.33 0.83 3.84 -0.03 -5.00 114.94 116.18 1fa6 s ASN 34 Ca -0.14 -0.71 0.11 0.00 0.21 0.00 0.00 52.86 52.34 1fa6 s ASN 34 Cb -0.08 -0.32 0.56 0.00 -0.55 0.00 0.00 41.25 40.86 1fa6 s ASN 34 CO 0.00 -0.35 1.74 1.55 -2.79 0.00 0.00 177.10 177.25 1fa6 h PRO 35 N 8.38 0.02 -0.13 0.43 0.13 -1.96 0.45 132.00 139.33 1fa6 h PRO 35 Ca -0.16 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.95 1fa6 h PRO 35 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 1fa6 h PRO 35 CO 0.31 0.48 0.01 1.49 -0.23 0.00 0.00 178.00 180.06 1fa6 h GLU 36 N 0.02 0.22 -0.02 0.86 4.81 -1.97 -3.20 114.58 115.30 1fa6 h GLU 36 Ca -0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1fa6 h GLU 36 Cb 0.83 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1fa6 h GLU 36 CO 0.06 0.45 -0.10 0.66 -0.73 0.00 0.00 179.01 179.35 1fa6 n TYR 37 N -4.79 0.00 -3.45 0.92 4.02 -1.20 -5.01 117.16 107.65 1fa6 n TYR 37 Ca -0.06 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.62 1fa6 n TYR 37 Cb 0.20 -0.01 0.05 0.00 -0.02 0.00 0.00 39.34 39.56 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 0.63 -1.68 -3.80 -0.72 5.02 0.15 -4.91 118.16 112.85 1fa6 n LYS 38 Ca 0.14 0.72 -0.10 0.00 -2.02 0.00 0.00 58.31 57.06 1fa6 n LYS 38 Cb 0.49 -4.95 -0.06 0.00 -0.02 0.00 0.00 35.03 30.49 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 -3.38 0.06 0.02 2.13 -0.85 -0.88 -1.40 117.35 113.05 1fa6 s TYR 39 Ca 0.42 -0.42 0.04 0.00 -0.52 0.00 0.00 57.07 56.59 1fa6 s TYR 39 Cb -0.11 0.13 -0.02 0.00 0.38 0.00 0.00 41.96 42.35 1fa6 s TYR 39 CO 0.80 -0.72 -0.13 -1.12 -1.52 0.00 0.00 175.55 172.86 1fa6 s SER 40 N -2.88 1.49 0.19 -0.18 0.01 0.66 -0.85 113.70 112.15 1fa6 s SER 40 Ca 0.09 -0.38 0.11 0.00 1.31 0.00 0.00 55.95 57.08 1fa6 s SER 40 Cb 0.02 -0.11 -0.04 0.00 0.21 0.00 0.00 66.02 66.10 1fa6 s SER 40 CO -0.06 0.05 -0.23 -0.76 0.41 0.00 0.00 173.24 172.66 1fa6 s LEU 41 N -0.86 2.44 -0.06 2.44 1.43 -0.06 -0.63 118.68 123.37 1fa6 s LEU 41 Ca 0.02 -0.87 -0.03 0.00 -1.03 0.00 0.00 54.13 52.22 1fa6 s LEU 41 Cb -0.07 -1.09 0.04 0.00 0.03 0.00 0.00 46.19 45.10 1fa6 s LEU 41 CO 0.01 0.08 0.11 0.00 0.23 0.00 0.00 176.35 176.79 1fa6 s ALA 42 N -1.77 -0.02 -0.25 4.21 0.00 -0.38 -1.91 121.76 121.64 1fa6 s ALA 42 Ca 0.20 0.43 -0.10 0.00 0.00 0.00 0.00 51.96 52.49 1fa6 s ALA 42 Cb -0.07 -0.66 -0.05 0.00 0.00 0.00 0.00 23.12 22.34 1fa6 s ALA 42 CO 0.09 -0.45 0.15 -0.06 0.00 0.00 0.00 175.76 175.49 1fa6 s PHE 43 N 2.02 3.24 0.04 0.00 0.40 0.12 -0.56 117.98 123.24 1fa6 s PHE 43 Ca 0.01 0.09 0.08 0.00 -0.60 0.00 0.00 56.93 56.51 1fa6 s PHE 43 Cb -0.12 -2.29 -0.03 0.00 0.51 0.00 0.00 43.02 41.09 1fa6 s PHE 43 CO -0.05 -0.07 -0.23 0.14 0.70 0.00 0.00 175.22 175.71 1fa6 s VAL 44 N 1.33 1.88 0.05 -0.44 -7.23 -0.66 0.11 120.40 115.45 1fa6 s VAL 44 Ca 0.07 -1.28 -0.27 0.00 -1.81 0.00 0.00 61.98 58.69 1fa6 s VAL 44 Cb -0.15 -1.62 0.10 0.00 0.56 0.00 0.00 36.38 35.27 1fa6 s VAL 44 CO 0.06 0.29 1.19 -0.83 -0.31 0.00 0.00 175.10 175.50 1fa6 s GLY 45 N -1.19 -0.17 0.00 2.32 0.00 -0.96 -1.12 107.32 106.20 1fa6 s GLY 45 Ca 0.09 0.16 0.27 0.00 0.00 0.00 0.00 44.72 45.24 1fa6 s GLY 45 CO 0.02 2.55 1.64 -1.72 0.00 0.00 0.00 173.10 175.58 1fa6 n TYR 46 N -0.68 0.00 -3.65 1.90 4.02 -1.26 -0.62 117.16 116.86 1fa6 n TYR 46 Ca -0.03 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.79 1fa6 n TYR 46 Cb 0.60 -0.03 -0.02 0.00 -0.02 0.00 0.00 39.34 39.88 1fa6 n TYR 46 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1fa6 s GLY 47 N -2.13 -0.33 0.79 2.72 0.00 -1.26 -4.97 107.32 102.14 1fa6 s GLY 47 Ca 0.33 0.26 -0.13 0.00 0.00 0.00 0.00 44.72 45.19 1fa6 s GLY 47 CO 0.38 0.08 1.17 2.56 0.00 0.00 0.00 173.10 177.29 1fa6 s PRO 48 N -3.55 1.79 0.60 2.90 0.04 -1.26 -4.62 135.00 130.89 1fa6 s PRO 48 Ca 0.08 1.62 0.30 0.00 0.04 0.00 0.00 61.00 63.04 1fa6 s PRO 48 Cb -0.03 -1.81 1.75 0.00 0.04 0.00 0.00 34.50 34.46 1fa6 s PRO 48 CO -0.02 -2.07 2.14 0.93 0.04 0.00 0.00 177.00 178.01 1fa6 h GLU 49 N -0.91 0.00 0.00 4.56 5.08 -1.96 0.16 114.58 121.51 1fa6 h GLU 49 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1fa6 h GLU 49 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1fa6 h GLU 49 CO 0.47 0.00 -0.02 1.79 -1.00 0.00 0.00 179.01 180.25 1fa6 h THR 50 N 0.00 0.00 0.00 1.13 1.35 -1.98 -3.35 112.91 110.06 1fa6 h THR 50 Ca 0.06 -0.56 -0.18 0.00 -0.55 0.00 0.00 66.41 65.18 1fa6 h THR 50 Cb 0.38 1.54 -0.03 0.00 -1.73 0.00 0.00 68.15 68.31 1fa6 h THR 50 CO -0.00 0.00 -1.69 -0.62 -0.25 0.00 0.00 175.52 172.96 1fa6 n GLU 51 N -2.39 2.24 -4.35 4.72 1.02 -0.20 -5.08 120.64 116.60 1fa6 n GLU 51 Ca 0.05 -0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.99 1fa6 n GLU 51 Cb 0.45 -1.26 -0.09 0.00 -0.02 0.00 0.00 31.44 30.52 1fa6 n GLU 51 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1fa6 s GLU 52 N -2.24 1.67 -0.03 3.49 0.41 -0.13 -4.99 118.70 116.88 1fa6 s GLU 52 Ca -0.06 -1.97 -0.17 0.00 -0.41 0.00 0.00 54.97 52.36 1fa6 s GLU 52 Cb 0.03 -0.06 -0.05 0.00 -1.78 0.00 0.00 34.13 32.27 1fa6 s GLU 52 CO 0.40 -0.50 0.48 0.00 -0.49 0.00 0.00 175.26 175.15 1fa6 s ALA 53 N -3.53 3.58 0.00 5.21 0.00 -1.26 -4.51 121.76 121.26 1fa6 s ALA 53 Ca 0.35 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1fa6 s ALA 53 Cb 0.04 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.60 1fa6 s ALA 53 CO 0.19 0.26 0.00 1.33 0.00 0.00 0.00 175.76 177.55 1fa6 n VAL 54 N 2.56 0.00 -5.17 0.00 0.24 -0.21 -4.77 118.33 110.99 1fa6 n VAL 54 Ca -0.10 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.88 1fa6 n VAL 54 Cb 0.52 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.72 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 -1.09 2.24 -0.42 1.34 1.01 -0.28 -1.84 121.20 122.16 1fa6 s ILE 55 Ca 0.00 -0.98 -0.11 0.00 0.00 0.00 0.00 60.65 59.55 1fa6 s ILE 55 Cb 0.00 -1.84 0.06 0.00 0.01 0.00 0.00 42.46 40.69 1fa6 s ILE 55 CO 0.00 0.56 0.28 -0.70 0.00 0.00 0.00 174.94 175.09 1fa6 s GLU 56 N -0.01 2.76 -0.27 2.79 2.12 0.18 -1.65 118.70 124.62 1fa6 s GLU 56 Ca -0.08 -1.34 -0.22 0.00 0.36 0.00 0.00 54.97 53.69 1fa6 s GLU 56 Cb -0.15 -3.87 -0.01 0.00 0.26 0.00 0.00 34.13 30.36 1fa6 s GLU 56 CO 0.05 -0.91 0.72 -0.51 -0.54 0.00 0.00 175.26 174.07 1fa6 s LEU 57 N 1.51 4.08 -0.20 2.70 1.43 0.27 -0.87 118.68 127.61 1fa6 s LEU 57 Ca 0.03 0.74 -0.04 0.00 -1.03 0.00 0.00 54.13 53.83 1fa6 s LEU 57 Cb -0.22 -2.99 -0.02 0.00 0.03 0.00 0.00 46.19 42.99 1fa6 s LEU 57 CO 0.04 -0.49 -0.03 -0.89 0.23 0.00 0.00 176.35 175.22 1fa6 s THR 58 N 2.72 3.62 -0.26 5.49 2.01 -0.37 -1.25 115.64 127.60 1fa6 s THR 58 Ca 0.30 -0.42 -0.01 0.00 0.31 0.00 0.00 61.69 61.86 1fa6 s THR 58 Cb -0.15 -2.63 0.03 0.00 0.01 0.00 0.00 72.50 69.76 1fa6 s THR 58 CO 0.10 0.44 -0.05 -0.47 -0.69 0.00 0.00 174.62 173.94 1fa6 s TYR 59 N 1.09 3.11 -0.17 4.92 5.04 0.20 -0.72 117.35 130.82 1fa6 s TYR 59 Ca 0.02 -1.64 -0.22 0.00 -2.44 0.00 0.00 57.07 52.79 1fa6 s TYR 59 Cb -0.15 -2.06 -0.03 0.00 0.35 0.00 0.00 41.96 40.08 1fa6 s TYR 59 CO 0.00 -0.75 0.65 -0.80 -1.34 0.00 0.00 175.55 173.32 1fa6 s ASN 60 N 1.30 6.77 0.12 4.32 0.01 -1.26 -0.24 114.94 125.95 1fa6 s ASN 60 Ca -0.01 0.93 -0.36 0.00 -0.71 0.00 0.00 52.86 52.72 1fa6 s ASN 60 Cb -0.17 -2.37 -0.15 0.00 0.41 0.00 0.00 41.25 38.97 1fa6 s ASN 60 CO -0.04 -0.24 1.44 0.79 -1.51 0.00 0.00 177.10 177.54 1fa6 n TRP 61 N 4.75 1.84 -0.95 2.20 8.01 -0.49 -1.51 117.44 131.28 1fa6 n TRP 61 Ca -0.01 0.48 0.00 0.00 -1.31 0.00 0.00 57.50 56.66 1fa6 n TRP 61 Cb 0.50 -2.42 0.00 0.00 -2.01 0.00 0.00 31.31 27.38 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 2.91 0.41 3.26 6.99 0.00 -1.26 -5.00 105.19 112.51 1fa6 n GLY 62 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.99 3.45 -0.68 1.61 1.01 -0.57 -4.96 120.40 118.26 1fa6 s VAL 63 Ca 0.00 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.08 1fa6 s VAL 63 Cb 0.00 -2.82 0.14 0.00 0.00 0.00 0.00 36.38 33.69 1fa6 s VAL 63 CO 0.00 0.05 0.99 -0.90 0.00 0.00 0.00 175.10 175.25 1fa6 n ASP 64 N 4.76 2.20 -3.70 3.32 5.75 -1.26 -4.60 116.55 123.02 1fa6 n ASP 64 Ca -0.15 -1.73 -0.13 0.00 -0.01 0.00 0.00 54.79 52.77 1fa6 n ASP 64 Cb 0.46 -0.09 -0.09 0.00 -1.03 0.00 0.00 41.12 40.37 1fa6 n ASP 64 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1fa6 s LYS 65 N -0.84 0.56 0.39 0.11 2.47 -1.26 -4.39 119.74 116.78 1fa6 s LYS 65 Ca 0.12 0.73 0.04 0.00 -1.56 0.00 0.00 55.97 55.29 1fa6 s LYS 65 Cb 0.07 0.23 -0.03 0.00 -1.46 0.00 0.00 37.83 36.64 1fa6 s LYS 65 CO 0.09 -0.09 0.11 0.71 0.16 0.00 0.00 175.35 176.34 1fa6 s TYR 66 N 0.49 1.82 -0.34 4.03 1.51 -1.26 -5.07 117.35 118.53 1fa6 s TYR 66 Ca -0.02 -1.20 -0.10 0.00 -1.01 0.00 0.00 57.07 54.75 1fa6 s TYR 66 Cb -0.04 -1.19 0.01 0.00 -0.11 0.00 0.00 41.96 40.63 1fa6 s TYR 66 CO -0.02 -0.22 0.17 -2.00 -1.11 0.00 0.00 175.55 172.37 1fa6 s GLU 67 N -3.77 3.09 0.34 -0.62 -6.30 -1.26 -4.98 118.70 105.21 1fa6 s GLU 67 Ca 0.26 -0.89 0.03 0.00 -2.50 0.00 0.00 54.97 51.87 1fa6 s GLU 67 Cb 0.04 -3.62 0.64 0.00 0.00 0.00 0.00 34.13 31.20 1fa6 s GLU 67 CO 0.14 -0.54 1.98 1.25 0.02 0.00 0.00 175.26 178.11 1fa6 h LEU 68 N 8.37 0.75 0.00 2.70 5.85 -2.00 -3.49 115.31 127.49 1fa6 h LEU 68 Ca -0.29 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.44 1fa6 h LEU 68 Cb 1.13 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1fa6 h LEU 68 CO 0.64 0.52 -0.03 0.61 -0.34 0.00 0.00 178.44 179.83 1fa6 n GLY 69 N -1.44 -1.84 0.04 3.75 0.00 -1.26 -4.67 105.19 99.78 1fa6 n GLY 69 Ca 0.09 -1.32 0.01 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.88 0.00 -0.01 2.61 -2.24 -1.26 -4.81 114.28 107.68 1fa6 n THR 70 Ca 0.00 -0.50 -0.03 0.00 -2.27 0.00 0.00 64.05 61.26 1fa6 n THR 70 Cb 0.04 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.28 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 0.24 -0.09 -2.64 6.98 0.00 -2.02 -3.46 119.26 118.27 1fa6 h ALA 71 Ca 0.00 -0.06 -0.55 0.00 0.00 0.00 0.00 54.91 54.30 1fa6 h ALA 71 Cb 0.05 0.04 0.08 0.00 0.00 0.00 0.00 17.79 17.96 1fa6 h ALA 71 CO 0.00 -0.09 0.83 0.98 0.00 0.00 0.00 179.25 180.97 1fa6 n TYR 72 N -4.83 2.67 0.00 0.00 9.36 -1.26 -4.97 117.16 118.13 1fa6 n TYR 72 Ca -0.02 0.27 0.00 0.00 3.32 0.00 0.00 57.90 61.47 1fa6 n TYR 72 Cb 0.08 -2.57 0.00 0.00 -0.63 0.00 0.00 39.34 36.22 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 2.41 0.66 2.82 2.98 0.00 -1.26 -5.05 105.19 107.75 1fa6 n GLY 73 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.37 -0.81 -5.07 1.61 1.44 -1.26 -4.49 115.22 106.26 1fa6 n HIS 74 Ca 0.00 -0.76 -0.30 0.00 -2.01 0.00 0.00 57.72 54.65 1fa6 n HIS 74 Cb 0.00 0.36 -0.17 0.00 0.12 0.00 0.00 29.99 30.31 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 -2.14 1.81 -0.17 0.61 1.01 -1.15 -4.99 121.20 116.17 1fa6 s ILE 75 Ca 0.19 -0.90 -0.07 0.00 0.00 0.00 0.00 60.65 59.86 1fa6 s ILE 75 Cb -0.01 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 1fa6 s ILE 75 CO 0.02 0.51 0.07 0.00 0.00 0.00 0.00 174.94 175.54 1fa6 s ALA 76 N 0.15 3.47 0.04 9.38 0.00 -1.26 -1.20 121.76 132.33 1fa6 s ALA 76 Ca -0.10 -0.73 0.07 0.00 0.00 0.00 0.00 51.96 51.19 1fa6 s ALA 76 Cb -0.15 -1.90 -0.02 0.00 0.00 0.00 0.00 23.12 21.05 1fa6 s ALA 76 CO 0.05 0.27 -0.20 -0.51 0.00 0.00 0.00 175.76 175.38 1fa6 s LEU 77 N 0.08 2.17 0.46 0.00 1.43 0.38 -4.95 118.68 118.25 1fa6 s LEU 77 Ca 0.06 -0.51 -0.17 0.00 -1.03 0.00 0.00 54.13 52.47 1fa6 s LEU 77 Cb -0.12 -0.91 -0.09 0.00 0.03 0.00 0.00 46.19 45.10 1fa6 s LEU 77 CO 0.01 0.14 0.94 -0.94 0.23 0.00 0.00 176.35 176.72 1fa6 s SER 78 N -1.16 6.73 -0.00 2.29 1.04 -1.26 -1.30 113.70 120.03 1fa6 s SER 78 Ca 0.06 1.55 -0.08 0.00 0.48 0.00 0.00 55.95 57.97 1fa6 s SER 78 Cb -0.09 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1fa6 s SER 78 CO 0.02 -0.47 0.15 0.68 0.98 0.00 0.00 173.24 174.60 1fa6 s VAL 79 N -2.42 0.08 0.12 5.02 -7.23 -0.69 -4.83 120.40 110.45 1fa6 s VAL 79 Ca 0.59 -0.62 0.01 0.00 -1.81 0.00 0.00 61.98 60.14 1fa6 s VAL 79 Cb -0.10 -0.43 -0.21 0.00 0.56 0.00 0.00 36.38 36.20 1fa6 s VAL 79 CO 0.24 -0.34 1.26 0.44 -0.31 0.00 0.00 175.10 176.40 1fa6 h ASP 80 N 4.38 0.26 -2.10 4.85 3.32 -1.94 -1.63 116.42 123.56 1fa6 h ASP 80 Ca -0.30 -0.25 -0.39 0.00 0.02 0.00 0.00 57.03 56.11 1fa6 h ASP 80 Cb 1.19 -0.08 -0.33 0.00 0.22 0.00 0.00 39.33 40.33 1fa6 h ASP 80 CO 0.40 1.14 -0.69 0.21 -1.72 0.00 0.00 179.24 178.58 1fa6 s ASN 81 N -6.96 1.58 0.18 6.45 3.84 -1.26 -4.68 114.94 114.10 1fa6 s ASN 81 Ca -0.02 -1.41 -0.13 0.00 0.21 0.00 0.00 52.86 51.50 1fa6 s ASN 81 Cb 0.09 0.41 0.18 0.00 -0.55 0.00 0.00 41.25 41.38 1fa6 s ASN 81 CO 0.85 -0.31 1.70 0.00 -2.79 0.00 0.00 177.10 176.55 1fa6 h ALA 82 N 7.43 0.50 -0.48 1.71 0.00 -1.94 0.07 119.26 126.55 1fa6 h ALA 82 Ca -0.01 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1fa6 h ALA 82 Cb 1.05 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1fa6 h ALA 82 CO 0.25 -0.35 0.24 0.00 0.00 0.00 0.00 179.25 179.39 1fa6 h ALA 83 N 1.41 0.61 -0.52 0.00 0.00 -1.95 0.15 119.26 118.96 1fa6 h ALA 83 Ca 0.25 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1fa6 h ALA 83 Cb 0.35 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1fa6 h ALA 83 CO -0.36 -0.12 0.32 1.49 0.00 0.00 0.00 179.25 180.58 1fa6 h GLU 84 N 0.47 0.70 -0.36 0.00 4.81 -1.84 -1.96 114.58 116.39 1fa6 h GLU 84 Ca 0.21 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.42 1fa6 h GLU 84 Cb 0.13 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 1fa6 h GLU 84 CO -0.15 0.50 0.15 0.00 -0.73 0.00 0.00 179.01 178.77 1fa6 h ALA 85 N 1.16 0.43 -0.58 2.92 0.00 -0.22 -1.37 119.26 121.59 1fa6 h ALA 85 Ca 0.19 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.21 1fa6 h ALA 85 Cb -0.02 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 1fa6 h ALA 85 CO -0.04 -0.24 0.22 0.00 0.00 0.00 0.00 179.25 179.20 1fa6 h GLU 87 N 0.40 0.65 -0.36 0.00 4.39 -0.87 -0.92 114.58 117.87 1fa6 h GLU 87 Ca 0.29 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 1fa6 h GLU 87 Cb 0.34 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1fa6 h GLU 87 CO -0.29 0.61 0.19 -0.22 -1.16 0.00 0.00 179.01 178.14 1fa6 h LYS 88 N 0.55 0.51 0.01 2.33 3.64 -0.80 -2.45 116.57 120.37 1fa6 h LYS 88 Ca 0.14 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1fa6 h LYS 88 Cb 0.20 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1fa6 h LYS 88 CO -0.01 0.44 -0.00 0.82 -2.27 0.00 0.00 179.45 178.42 1fa6 h ILE 89 N 0.45 1.06 0.00 2.00 2.04 -0.72 -1.68 117.51 120.66 1fa6 h ILE 89 Ca 0.13 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1fa6 h ILE 89 Cb 0.08 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1fa6 h ILE 89 CO -0.02 0.05 -0.04 0.08 0.00 0.00 0.00 178.15 178.22 1fa6 h ARG 90 N -0.09 0.00 -0.01 2.37 0.11 -1.14 -0.28 114.38 115.33 1fa6 h ARG 90 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1fa6 h ARG 90 Cb 0.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.17 1fa6 h ARG 90 CO 0.00 0.04 -0.30 1.04 0.10 0.00 0.00 179.97 180.85 1fa6 n GLN 91 N -3.83 1.23 -2.87 0.08 6.02 -0.93 -4.55 117.38 112.54 1fa6 n GLN 91 Ca -0.03 -0.90 -0.19 0.00 -0.01 0.00 0.00 57.00 55.87 1fa6 n GLN 91 Cb 0.13 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 29.90 1fa6 n GLN 91 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1fa6 n ASN 92 N -0.10 2.49 0.00 1.08 4.13 -0.55 -4.93 115.26 117.39 1fa6 n ASN 92 Ca 0.12 -3.21 0.00 0.00 1.68 0.00 0.00 54.58 53.17 1fa6 n ASN 92 Cb 0.43 -0.55 0.00 0.00 -1.54 0.00 0.00 39.78 38.11 1fa6 n ASN 92 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1fa6 n GLY 93 N -0.06 0.99 1.56 7.41 0.00 -1.24 -4.88 105.19 108.97 1fa6 n GLY 93 Ca 0.25 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.17 1fa6 n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fa6 n GLY 94 N -2.00 2.65 3.08 -0.02 0.00 -0.23 -3.62 105.19 105.05 1fa6 n GLY 94 Ca 0.00 -2.21 -0.13 0.00 0.00 0.00 0.00 46.02 43.69 1fa6 n GLY 94 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1fa6 s ASN 95 N -2.36 -0.24 -0.31 1.61 2.47 -0.57 -4.40 114.94 111.15 1fa6 s ASN 95 Ca 0.16 0.47 -0.15 0.00 0.42 0.00 0.00 52.86 53.76 1fa6 s ASN 95 Cb -0.01 0.42 -0.03 0.00 -1.45 0.00 0.00 41.25 40.19 1fa6 s ASN 95 CO 0.10 -0.11 0.35 -0.69 -3.72 0.00 0.00 177.10 173.03 1fa6 s VAL 96 N 0.56 5.18 -0.07 -5.21 1.01 -1.26 0.69 120.40 121.31 1fa6 s VAL 96 Ca -0.04 0.25 0.21 0.00 0.00 0.00 0.00 61.98 62.40 1fa6 s VAL 96 Cb -0.05 -3.75 -0.31 0.00 0.00 0.00 0.00 36.38 32.27 1fa6 s VAL 96 CO -0.03 0.03 0.43 0.35 0.00 0.00 0.00 175.10 175.88 1fa6 n THR 97 N 5.18 0.30 -3.52 3.92 -2.24 -0.23 -4.83 114.28 112.85 1fa6 n THR 97 Ca -0.09 -0.57 -0.25 0.00 -2.27 0.00 0.00 64.05 60.86 1fa6 n THR 97 Cb 0.50 -0.11 -0.14 0.00 -2.10 0.00 0.00 70.33 68.48 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 -3.31 0.19 0.64 -0.78 3.00 -0.66 -4.95 118.95 113.07 1fa6 s ARG 98 Ca -0.08 -0.27 -0.17 0.00 -1.00 0.00 0.00 55.73 54.20 1fa6 s ARG 98 Cb 0.12 -1.22 -0.07 0.00 0.00 0.00 0.00 34.95 33.78 1fa6 s ARG 98 CO 0.89 -0.90 0.52 0.39 0.00 0.00 0.00 175.30 176.19 1fa6 n GLU 99 N 5.28 0.42 -2.01 5.12 -0.58 -1.26 -2.19 120.64 125.41 1fa6 n GLU 99 Ca -0.05 0.17 -0.42 0.00 -0.42 0.00 0.00 57.16 56.44 1fa6 n GLU 99 Cb 0.45 -1.76 -0.03 0.00 -0.57 0.00 0.00 31.44 29.54 1fa6 n GLU 99 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1fa6 s ALA 100 N -1.80 3.66 0.00 0.62 0.00 -1.26 -4.59 121.76 118.39 1fa6 s ALA 100 Ca 0.67 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.94 1fa6 s ALA 100 Cb -0.40 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.15 1fa6 s ALA 100 CO 0.56 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 176.00 1fa6 n GLY 101 N 2.78 1.18 3.74 0.00 0.00 -0.36 -4.95 105.19 107.58 1fa6 n GLY 101 Ca 0.09 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 1fa6 n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fa6 s PRO 102 N -2.00 2.40 0.21 1.61 0.04 -1.26 -1.37 135.00 134.63 1fa6 s PRO 102 Ca 0.00 1.58 -0.26 0.00 0.04 0.00 0.00 61.00 62.35 1fa6 s PRO 102 Cb 0.00 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.57 1fa6 s PRO 102 CO 0.00 -1.60 0.84 0.54 0.04 0.00 0.00 177.00 176.83 1fa6 s VAL 103 N -2.18 4.27 0.16 -0.36 0.11 -1.06 -4.88 120.40 116.46 1fa6 s VAL 103 Ca 0.71 1.80 -0.32 0.00 -2.93 0.00 0.00 61.98 61.23 1fa6 s VAL 103 Cb -0.25 -4.16 -0.17 0.00 -1.53 0.00 0.00 36.38 30.28 1fa6 s VAL 103 CO 0.44 0.44 0.91 1.17 -3.33 0.00 0.00 175.10 174.73 1fa6 n LYS 104 N 1.36 0.54 -3.21 1.54 4.81 -1.26 0.35 118.16 122.29 1fa6 n LYS 104 Ca -0.03 0.19 -0.23 0.00 -0.87 0.00 0.00 58.31 57.37 1fa6 n LYS 104 Cb 0.49 -1.51 0.03 0.00 0.02 0.00 0.00 35.03 34.05 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 1.81 -0.51 3.61 3.14 0.00 -1.26 -4.95 105.19 107.03 1fa6 n GLY 105 Ca 0.17 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 46.22 1fa6 n GLY 105 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fa6 s GLY 106 N -2.78 0.68 -0.00 -0.02 0.00 0.16 -5.06 107.32 100.30 1fa6 s GLY 106 Ca 0.37 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 44.15 1fa6 s GLY 106 CO 0.46 -0.64 0.06 -1.30 0.00 0.00 0.00 173.10 171.68 1fa6 n THR 107 N -0.44 0.00 -1.83 0.90 -2.24 -1.26 -4.31 114.28 105.09 1fa6 n THR 107 Ca -0.02 -0.19 -0.42 0.00 -2.27 0.00 0.00 64.05 61.15 1fa6 n THR 107 Cb 0.61 0.65 -0.03 0.00 -2.10 0.00 0.00 70.33 69.46 1fa6 n THR 107 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1fa6 s THR 108 N -1.80 2.97 -0.08 4.28 2.01 -1.26 -4.74 115.64 117.02 1fa6 s THR 108 Ca -0.00 0.31 -0.28 0.00 0.31 0.00 0.00 61.69 62.03 1fa6 s THR 108 Cb 0.01 -3.20 -0.02 0.00 0.01 0.00 0.00 72.50 69.30 1fa6 s THR 108 CO 0.08 -0.01 0.93 -0.69 -0.69 0.00 0.00 174.62 174.24 1fa6 s VAL 109 N 3.18 4.87 0.13 3.82 1.01 -1.26 -2.57 120.40 129.58 1fa6 s VAL 109 Ca 0.78 1.90 -0.03 0.00 0.00 0.00 0.00 61.98 64.63 1fa6 s VAL 109 Cb -0.41 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.69 1fa6 s VAL 109 CO 0.35 0.09 0.12 0.27 0.00 0.00 0.00 175.10 175.93 1fa6 s ILE 110 N 1.54 0.10 0.14 2.22 -4.36 -0.47 -0.99 121.20 119.38 1fa6 s ILE 110 Ca 0.46 -1.73 -0.16 0.00 -0.26 0.00 0.00 60.65 58.96 1fa6 s ILE 110 Cb -0.19 -1.92 0.03 0.00 1.25 0.00 0.00 42.46 41.63 1fa6 s ILE 110 CO 0.20 -0.47 0.42 0.00 0.24 0.00 0.00 174.94 175.33 1fa6 s ALA 111 N -4.01 -0.85 -0.06 2.27 0.00 -0.49 -1.22 121.76 117.39 1fa6 s ALA 111 Ca 0.20 -0.16 0.03 0.00 0.00 0.00 0.00 51.96 52.04 1fa6 s ALA 111 Cb 0.06 0.74 0.01 0.00 0.00 0.00 0.00 23.12 23.93 1fa6 s ALA 111 CO -0.00 -0.68 -0.14 -0.06 0.00 0.00 0.00 175.76 174.88 1fa6 s PHE 112 N -3.83 1.60 0.30 0.00 0.40 -0.93 0.03 117.98 115.54 1fa6 s PHE 112 Ca 0.05 -0.56 0.02 0.00 -0.60 0.00 0.00 56.93 55.85 1fa6 s PHE 112 Cb 0.01 -1.13 -0.04 0.00 0.51 0.00 0.00 43.02 42.37 1fa6 s PHE 112 CO -0.09 -0.25 0.13 0.14 0.70 0.00 0.00 175.22 175.84 1fa6 s VAL 113 N 0.45 0.49 -0.02 -0.44 -7.23 0.66 -1.07 120.40 113.24 1fa6 s VAL 113 Ca -0.12 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.11 1fa6 s VAL 113 Cb -0.15 -2.56 -0.01 0.00 0.56 0.00 0.00 36.38 34.22 1fa6 s VAL 113 CO 0.04 0.00 -0.18 -1.61 -0.31 0.00 0.00 175.10 173.04 1fa6 s GLU 114 N -3.90 1.54 0.76 4.82 2.02 0.22 -0.11 118.70 124.05 1fa6 s GLU 114 Ca 0.36 -0.65 -0.12 0.00 0.02 0.00 0.00 54.97 54.58 1fa6 s GLU 114 Cb 0.06 -1.46 0.17 0.00 0.10 0.00 0.00 34.13 33.00 1fa6 s GLU 114 CO 0.16 0.37 1.03 -0.40 0.02 0.00 0.00 175.26 176.43 1fa6 n ASP 115 N 2.72 0.15 0.19 -0.19 3.85 -0.00 -1.52 116.55 121.76 1fa6 n ASP 115 Ca -0.15 -1.42 0.18 0.00 -0.71 0.00 0.00 54.79 52.69 1fa6 n ASP 115 Cb 0.54 -0.78 0.82 0.00 -1.35 0.00 0.00 41.12 40.35 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 -0.50 0.11 0.11 -1.91 -1.17 132.00 128.64 1fa6 h PRO 116 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1fa6 h PRO 116 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1fa6 h PRO 116 CO 0.24 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.78 1fa6 n ASP 117 N -3.69 3.51 0.00 -2.05 9.92 -1.26 -4.95 116.55 118.03 1fa6 n ASP 117 Ca 0.03 -1.97 0.00 0.00 -0.53 0.00 0.00 54.79 52.31 1fa6 n ASP 117 Cb 0.39 -0.33 0.00 0.00 -0.64 0.00 0.00 41.12 40.54 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 1.37 0.71 3.71 0.44 0.00 -0.44 -5.01 105.19 105.98 1fa6 n GLY 118 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.68 2.97 0.16 1.61 1.51 -1.26 -4.64 117.35 115.03 1fa6 s TYR 119 Ca 0.00 0.65 -0.30 0.00 -1.01 0.00 0.00 57.07 56.41 1fa6 s TYR 119 Cb 0.00 -3.86 -0.07 0.00 -0.11 0.00 0.00 41.96 37.91 1fa6 s TYR 119 CO 0.00 -3.21 1.13 0.15 -1.11 0.00 0.00 175.55 172.51 1fa6 s LYS 120 N 1.48 4.55 -0.07 -0.62 -0.14 -1.26 -0.82 119.74 122.86 1fa6 s LYS 120 Ca 0.69 1.75 0.02 0.00 -1.36 0.00 0.00 55.97 57.07 1fa6 s LYS 120 Cb -0.41 -3.28 0.02 0.00 -1.68 0.00 0.00 37.83 32.48 1fa6 s LYS 120 CO 0.31 -0.00 -0.10 0.42 -0.76 0.00 0.00 175.35 175.21 1fa6 s ILE 121 N -0.02 1.02 -0.24 2.17 1.01 0.84 -2.95 121.20 123.03 1fa6 s ILE 121 Ca 0.51 -0.40 -0.12 0.00 0.00 0.00 0.00 60.65 60.65 1fa6 s ILE 121 Cb -0.30 -0.96 -0.05 0.00 0.01 0.00 0.00 42.46 41.17 1fa6 s ILE 121 CO 0.34 0.33 0.22 -0.70 0.00 0.00 0.00 174.94 175.13 1fa6 s GLU 122 N 0.80 4.07 -0.22 2.79 2.12 -0.34 -0.25 118.70 127.68 1fa6 s GLU 122 Ca -0.12 -0.18 -0.08 0.00 0.36 0.00 0.00 54.97 54.95 1fa6 s GLU 122 Cb -0.15 -3.56 -0.04 0.00 0.26 0.00 0.00 34.13 30.64 1fa6 s GLU 122 CO 0.02 0.00 0.08 -0.51 -0.54 0.00 0.00 175.26 174.31 1fa6 s LEU 123 N 1.23 3.73 -0.26 2.70 1.43 0.10 -0.47 118.68 127.15 1fa6 s LEU 123 Ca 0.10 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.18 1fa6 s LEU 123 Cb -0.14 -1.97 0.05 0.00 0.03 0.00 0.00 46.19 44.15 1fa6 s LEU 123 CO 0.06 0.07 -0.08 -0.63 0.23 0.00 0.00 176.35 176.00 1fa6 s ILE 124 N 0.97 2.49 0.26 -0.59 1.01 -0.42 -1.40 121.20 123.53 1fa6 s ILE 124 Ca 0.05 -1.38 -0.30 0.00 0.00 0.00 0.00 60.65 59.02 1fa6 s ILE 124 Cb -0.14 -2.38 -0.10 0.00 0.01 0.00 0.00 42.46 39.86 1fa6 s ILE 124 CO 0.03 0.06 1.36 -0.70 0.00 0.00 0.00 174.94 175.69 1fa6 s GLU 125 N 1.20 4.33 -0.19 2.79 2.12 -0.16 -1.71 118.70 127.08 1fa6 s GLU 125 Ca -0.05 2.20 0.16 0.00 0.36 0.00 0.00 54.97 57.63 1fa6 s GLU 125 Cb -0.19 -3.12 0.66 0.00 0.26 0.00 0.00 34.13 31.74 1fa6 s GLU 125 CO -0.05 -0.29 1.57 -0.85 -0.54 0.00 0.00 175.26 175.10 1fa6 n GLU 126 N 1.95 3.81 -2.10 4.30 0.28 -0.61 -4.67 120.64 123.60 1fa6 n GLU 126 Ca 0.04 -2.96 -0.37 0.00 -0.16 0.00 0.00 57.16 53.71 1fa6 n GLU 126 Cb 0.41 -2.01 0.03 0.00 1.43 0.00 0.00 31.44 31.30 1fa6 n GLU 126 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1fa6 n GLY 134 N 0.09 5.66 0.00 -1.84 0.00 -1.26 -5.00 105.19 102.84 1fa6 n GLY 134 Ca 0.24 -2.55 0.07 0.00 0.00 0.00 0.00 46.02 43.78 1fa6 n GLY 134 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48