#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fva s LYS 2 N 0.00 3.38 0.24 0.00 1.02 -1.26 -5.00 119.74 118.13 2fva s LYS 2 Ca 0.00 -0.46 -0.06 0.00 0.02 0.00 0.00 55.97 55.46 2fva s LYS 2 Cb 0.00 -3.01 0.26 0.00 -0.52 0.00 0.00 37.83 34.56 2fva s LYS 2 CO 0.00 0.61 1.91 0.87 -0.92 0.00 0.00 175.35 177.82 2fva h LYS 3 N 3.12 1.24 -0.64 1.68 1.57 -2.02 0.90 116.57 122.43 2fva h LYS 3 Ca -0.45 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.27 2fva h LYS 3 Cb 1.16 -0.28 -0.04 0.00 0.08 0.00 0.00 32.23 33.16 2fva h LYS 3 CO 0.75 0.82 0.41 1.05 -0.57 0.00 0.00 179.45 181.91 2fva h GLU 4 N 1.28 0.80 -0.31 3.15 4.11 -1.99 0.15 114.58 121.77 2fva h GLU 4 Ca 0.36 -0.05 -0.18 0.00 0.07 0.00 0.00 59.36 59.56 2fva h GLU 4 Cb -0.12 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 28.95 2fva h GLU 4 CO -0.09 0.53 -0.51 1.15 0.07 0.00 0.00 179.01 180.16 2fva h THR 5 N 0.83 1.27 -0.48 -1.06 2.02 -1.82 -2.53 112.91 111.14 2fva h THR 5 Ca 0.25 -1.69 -0.02 0.00 0.77 0.00 0.00 66.41 65.72 2fva h THR 5 Cb -0.05 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 2fva h THR 5 CO -0.07 0.56 0.24 0.40 0.37 0.00 0.00 175.52 177.01 2fva h ILE 6 N 0.69 1.19 -0.84 3.11 2.04 -0.42 -0.55 117.51 122.72 2fva h ILE 6 Ca 0.02 -0.52 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 2fva h ILE 6 Cb 1.12 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 2fva h ILE 6 CO 0.12 0.20 0.43 0.44 0.00 0.00 0.00 178.15 179.35 2fva h ASP 7 N 0.63 1.08 -0.26 1.72 3.32 -0.70 -0.93 116.42 121.28 2fva h ASP 7 Ca 0.17 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 2fva h ASP 7 Cb 0.11 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 2fva h ASP 7 CO -0.02 0.88 0.07 0.11 -1.72 0.00 0.00 179.24 178.56 2fva h LYS 8 N 1.19 0.41 -0.19 3.56 1.79 -1.02 0.50 116.57 122.81 2fva h LYS 8 Ca 0.29 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 2fva h LYS 8 Cb 0.07 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 2fva h LYS 8 CO -0.04 0.50 0.12 0.28 -1.08 0.00 0.00 179.45 179.23 2fva h VAL 9 N 0.25 1.05 -0.88 0.50 2.07 -0.76 -2.02 116.25 116.47 2fva h VAL 9 Ca 0.08 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 2fva h VAL 9 Cb 0.27 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 2fva h VAL 9 CO 0.00 0.05 0.47 0.77 0.02 0.00 0.00 177.57 178.88 2fva h SER 10 N 0.25 1.11 -0.84 0.57 4.64 -1.09 -2.54 113.55 115.65 2fva h SER 10 Ca 0.07 -0.11 0.08 0.00 -0.47 0.00 0.00 61.79 61.36 2fva h SER 10 Cb -0.02 -0.28 -0.07 0.00 -0.31 0.00 0.00 62.40 61.72 2fva h SER 10 CO -0.01 0.90 0.50 0.44 -0.87 0.00 0.00 176.83 177.79 2fva h ASP 11 N 1.23 0.75 -0.58 4.97 3.32 -0.38 -1.37 116.42 124.37 2fva h ASP 11 Ca 0.31 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.43 2fva h ASP 11 Cb 0.05 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 2fva h ASP 11 CO -0.05 0.45 0.33 0.40 -1.72 0.00 0.00 179.24 178.65 2fva h ILE 12 N 0.87 1.01 -0.38 0.35 5.03 -0.94 0.29 117.51 123.73 2fva h ILE 12 Ca 0.39 -0.22 -0.01 0.00 -0.12 0.00 0.00 64.86 64.90 2fva h ILE 12 Cb 0.28 0.32 -0.02 0.00 -3.03 0.00 0.00 36.82 34.38 2fva h ILE 12 CO -0.21 0.11 0.19 0.58 -0.68 0.00 0.00 178.15 178.14 2fva h VAL 13 N 0.63 1.16 -0.77 1.67 2.07 -1.20 -2.81 116.25 117.01 2fva h VAL 13 Ca 0.24 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 2fva h VAL 13 Cb 0.10 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 2fva h VAL 13 CO -0.14 0.17 0.33 0.11 0.02 0.00 0.00 177.57 178.06 2fva h LYS 14 N 0.48 1.13 0.00 1.57 1.57 -0.90 -1.62 116.57 118.80 2fva h LYS 14 Ca 0.13 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2fva h LYS 14 Cb 0.09 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.21 2fva h LYS 14 CO -0.02 0.91 0.21 0.93 -0.57 0.00 0.00 179.45 180.91 2fva h GLU 15 N 1.10 0.00 -0.68 3.15 4.39 -0.69 0.97 114.58 122.82 2fva h GLU 15 Ca 0.26 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.89 2fva h GLU 15 Cb 0.18 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 2fva h GLU 15 CO -0.03 0.00 0.15 0.87 -1.16 0.00 0.00 179.01 178.84 2fva h LYS 16 N 0.00 1.08 0.00 2.33 1.79 -1.21 -3.24 116.57 117.33 2fva h LYS 16 Ca 0.00 -0.26 -0.02 0.00 -2.18 0.00 0.00 60.65 58.19 2fva h LYS 16 Cb 0.42 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 30.90 2fva h LYS 16 CO 0.00 0.97 -0.32 1.47 -1.08 0.00 0.00 179.45 180.49 2fva n LEU 17 N -4.23 1.51 -2.97 2.94 -0.00 0.01 -5.05 117.00 109.20 2fva n LEU 17 Ca 0.05 -2.41 -0.10 0.00 -0.00 0.00 0.00 56.01 53.55 2fva n LEU 17 Cb 0.26 -0.26 0.01 0.00 -0.00 0.00 0.00 43.42 43.43 2fva n LEU 17 CO 0.42 0.63 -0.26 0.00 -0.00 0.00 0.00 177.39 178.18 2fva n ALA 18 N -0.76 -2.90 -3.20 1.47 0.00 0.32 -5.05 120.51 110.39 2fva n ALA 18 Ca 0.10 0.65 0.00 0.00 0.00 0.00 0.00 53.44 54.19 2fva n ALA 18 Cb 0.71 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 18.01 2fva n ALA 18 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2fva n LEU 19 N 0.28 0.00 0.00 0.00 4.32 -0.76 -4.91 117.00 115.93 2fva n LEU 19 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.02 2fva n LEU 19 Cb 0.36 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.16 2fva n LEU 19 CO 0.41 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.19 2fva n GLY 20 N 1.16 0.76 0.00 -0.72 0.00 -1.26 -4.75 105.19 100.38 2fva n GLY 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2fva n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fva n ALA 21 N -1.28 0.00 -1.28 4.61 0.00 -1.26 -4.62 120.51 116.68 2fva n ALA 21 Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 53.44 53.43 2fva n ALA 21 Cb 0.00 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.66 2fva n ALA 21 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2fva n ASP 22 N -1.80 2.78 -4.42 0.00 5.75 -1.26 -4.99 116.55 112.61 2fva n ASP 22 Ca 0.00 -3.47 -0.33 0.00 -0.01 0.00 0.00 54.79 50.98 2fva n ASP 22 Cb 0.00 -0.57 -0.14 0.00 -1.03 0.00 0.00 41.12 39.38 2fva n ASP 22 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2fva s VAL 23 N -3.07 3.14 0.14 2.12 1.01 -1.26 -5.09 120.40 117.38 2fva s VAL 23 Ca 0.41 -0.65 -0.31 0.00 0.00 0.00 0.00 61.98 61.43 2fva s VAL 23 Cb 0.37 -2.29 -0.08 0.00 0.00 0.00 0.00 36.38 34.37 2fva s VAL 23 CO 0.02 0.55 1.39 -0.69 0.00 0.00 0.00 175.10 176.37 2fva s VAL 24 N -0.03 3.23 -0.10 2.92 1.01 -1.26 -4.65 120.40 121.52 2fva s VAL 24 Ca -0.03 0.90 0.03 0.00 0.00 0.00 0.00 61.98 62.88 2fva s VAL 24 Cb -0.14 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.67 2fva s VAL 24 CO 0.04 0.08 -0.18 -0.69 0.00 0.00 0.00 175.10 174.35 2fva s VAL 25 N 0.91 1.66 0.21 2.92 1.01 -1.26 -5.05 120.40 120.80 2fva s VAL 25 Ca 0.63 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.79 2fva s VAL 25 Cb -0.37 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 2fva s VAL 25 CO 0.32 0.47 0.28 0.42 0.00 0.00 0.00 175.10 176.59 2fva s THR 26 N 0.69 0.01 0.29 3.92 -4.23 -1.26 -5.02 115.64 110.04 2fva s THR 26 Ca -0.12 -1.69 0.05 0.00 -1.18 0.00 0.00 61.69 58.74 2fva s THR 26 Cb -0.16 -2.28 0.06 0.00 1.34 0.00 0.00 72.50 71.46 2fva s THR 26 CO 0.03 -0.07 1.73 0.00 -0.54 0.00 0.00 174.62 175.77 2fva h ALA 27 N 2.49 1.14 -0.52 3.99 0.00 -1.95 -2.54 119.26 121.87 2fva h ALA 27 Ca -0.32 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2fva h ALA 27 Cb 1.24 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2fva h ALA 27 CO 0.46 0.55 0.00 -3.47 0.00 0.00 0.00 179.25 176.79 2fva n ASP 28 N -4.10 4.73 0.00 0.00 -0.08 -1.26 -1.78 116.55 114.07 2fva n ASP 28 Ca -0.01 -2.65 0.08 0.00 -1.51 0.00 0.00 54.79 50.71 2fva n ASP 28 Cb 0.42 -0.62 0.42 0.00 2.34 0.00 0.00 41.12 43.69 2fva n ASP 28 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2fva n SER 29 N 0.68 0.00 -1.70 1.67 7.64 -0.96 -4.97 113.62 115.99 2fva n SER 29 Ca 0.23 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.23 2fva n SER 29 Cb 0.96 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 2fva n SER 29 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2fva n GLU 30 N -1.32 -4.69 -2.18 1.43 1.02 -1.26 -4.80 120.64 108.84 2fva n GLU 30 Ca 0.07 3.53 -0.41 0.00 -0.02 0.00 0.00 57.16 60.33 2fva n GLU 30 Cb 0.15 -4.09 -0.03 0.00 -0.02 0.00 0.00 31.44 27.46 2fva n GLU 30 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2fva s PHE 31 N -4.03 3.16 -0.23 -0.32 0.08 -1.26 -4.86 117.98 110.52 2fva s PHE 31 Ca 0.00 1.39 -0.03 0.00 0.12 0.00 0.00 56.93 58.41 2fva s PHE 31 Cb 0.00 -3.62 0.00 0.00 -0.57 0.00 0.00 43.02 38.83 2fva s PHE 31 CO 0.00 -1.73 -0.05 0.45 -0.10 0.00 0.00 175.22 173.79 2fva s SER 32 N -0.32 4.24 0.03 1.36 0.15 -1.26 -5.10 113.70 112.80 2fva s SER 32 Ca 0.50 -0.53 -0.26 0.00 0.70 0.00 0.00 55.95 56.37 2fva s SER 32 Cb -0.38 -1.71 -0.05 0.00 -1.71 0.00 0.00 66.02 62.17 2fva s SER 32 CO 0.48 -0.05 0.80 -0.54 1.20 0.00 0.00 173.24 175.12 2fva s LYS 33 N 1.43 4.52 0.18 5.44 1.02 -1.26 -4.96 119.74 126.11 2fva s LYS 33 Ca 0.04 1.11 -0.11 0.00 0.02 0.00 0.00 55.97 57.04 2fva s LYS 33 Cb -0.15 -3.38 0.10 0.00 -0.52 0.00 0.00 37.83 33.88 2fva s LYS 33 CO -0.04 0.22 1.74 1.25 -0.92 0.00 0.00 175.35 177.61 2fva h LEU 34 N 5.88 0.91 0.00 3.17 5.85 -1.98 -3.46 115.31 125.67 2fva h LEU 34 Ca -0.43 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.12 2fva h LEU 34 Cb 1.21 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.00 2fva h LEU 34 CO 0.72 0.83 0.00 0.61 -0.34 0.00 0.00 178.44 180.26 2fva n GLY 35 N -0.84 0.77 3.77 3.75 0.00 -1.26 -5.14 105.19 106.24 2fva n GLY 35 Ca 0.05 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 2fva n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fva s ALA 36 N 0.00 3.24 0.09 4.61 0.00 -1.26 -5.04 121.76 123.40 2fva s ALA 36 Ca 0.00 0.95 0.05 0.00 0.00 0.00 0.00 51.96 52.96 2fva s ALA 36 Cb 0.00 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 2fva s ALA 36 CO 0.00 -0.42 0.01 0.34 0.00 0.00 0.00 175.76 175.68 2fva s ASP 37 N -1.05 5.05 0.00 0.00 -1.08 -1.26 -4.21 116.67 114.12 2fva s ASP 37 Ca 0.53 -0.18 0.00 0.00 -0.52 0.00 0.00 52.55 52.39 2fva s ASP 37 Cb -0.31 -1.21 0.00 0.00 -1.46 0.00 0.00 42.92 39.94 2fva s ASP 37 CO 0.39 0.17 0.00 -0.24 0.52 0.00 0.00 175.17 176.01 2fva n SER 38 N 0.52 0.00 -0.28 -0.34 2.88 -1.26 -4.37 113.62 110.77 2fva n SER 38 Ca -0.11 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.38 2fva n SER 38 Cb 0.52 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.04 2fva n SER 38 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2fva h LEU 39 N 0.00 0.99 -0.68 2.46 3.38 -2.01 -2.44 115.31 117.01 2fva h LEU 39 Ca 0.00 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2fva h LEU 39 Cb 0.00 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 2fva h LEU 39 CO 0.00 0.84 0.38 0.44 0.09 0.00 0.00 178.44 180.19 2fva h ASP 40 N 1.06 0.85 -0.87 -0.43 3.32 -1.76 -1.90 116.42 116.70 2fva h ASP 40 Ca 0.26 -0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.25 2fva h ASP 40 Cb 0.10 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.39 2fva h ASP 40 CO -0.03 0.70 0.56 0.74 -1.72 0.00 0.00 179.24 179.48 2fva h THR 41 N 0.94 1.14 -0.58 0.35 2.02 -1.81 1.29 112.91 116.26 2fva h THR 41 Ca 0.24 -0.37 -0.04 0.00 0.77 0.00 0.00 66.41 67.01 2fva h THR 41 Cb 0.03 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.37 2fva h THR 41 CO -0.04 0.20 0.20 0.58 0.37 0.00 0.00 175.52 176.83 2fva h VAL 42 N 1.09 1.23 -0.01 3.16 2.07 -0.98 0.14 116.25 122.95 2fva h VAL 42 Ca 0.35 -0.77 -0.19 0.00 0.82 0.00 0.00 66.70 66.91 2fva h VAL 42 Cb 0.00 0.65 0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2fva h VAL 42 CO -0.12 0.29 -0.73 -0.08 0.02 0.00 0.00 177.57 176.96 2fva h GLU 43 N 0.81 0.51 -0.23 1.57 4.57 -0.67 -3.08 114.58 118.06 2fva h GLU 43 Ca 0.19 -0.54 -0.02 0.00 -1.18 0.00 0.00 59.36 57.81 2fva h GLU 43 Cb 0.25 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 2fva h GLU 43 CO -0.01 1.17 0.06 0.82 -1.18 0.00 0.00 179.01 179.87 2fva h ILE 44 N 0.06 1.20 -0.62 2.32 1.08 0.17 -1.92 117.51 119.81 2fva h ILE 44 Ca -0.09 -0.64 0.02 0.00 -0.39 0.00 0.00 64.86 63.76 2fva h ILE 44 Cb 1.42 1.20 -0.04 0.00 -3.07 0.00 0.00 36.82 36.33 2fva h ILE 44 CO 0.14 0.21 0.38 1.62 -0.69 0.00 0.00 178.15 179.81 2fva h VAL 45 N 0.19 1.09 -0.71 1.67 3.04 -0.85 -2.02 116.25 118.66 2fva h VAL 45 Ca 0.07 -0.26 -0.04 0.00 -1.01 0.00 0.00 66.70 65.46 2fva h VAL 45 Cb 0.26 0.26 -0.03 0.00 -2.01 0.00 0.00 31.29 29.76 2fva h VAL 45 CO -0.00 0.14 0.28 0.24 -1.01 0.00 0.00 177.57 177.22 2fva h MET 46 N 0.76 1.05 -0.65 4.17 2.86 -1.43 0.04 114.93 121.73 2fva h MET 46 Ca 0.25 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2fva h MET 46 Cb 0.00 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.46 2fva h MET 46 CO -0.09 0.86 0.40 -0.91 1.06 0.00 0.00 176.91 178.23 2fva h ASN 47 N 1.03 0.77 -0.23 1.22 4.21 -0.67 1.20 115.58 123.11 2fva h ASN 47 Ca 0.24 -0.05 -0.07 0.00 1.21 0.00 0.00 56.30 57.63 2fva h ASN 47 Cb 0.20 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 37.20 2fva h ASN 47 CO -0.02 0.59 -0.14 -0.07 -1.29 0.00 0.00 177.43 176.50 2fva h LEU 48 N 0.88 0.52 -0.51 1.61 3.38 -0.97 0.22 115.31 120.43 2fva h LEU 48 Ca 0.23 -0.43 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 2fva h LEU 48 Cb -0.05 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2fva h LEU 48 CO -0.05 0.84 0.00 -0.08 0.09 0.00 0.00 178.44 179.24 2fva h GLU 49 N 0.20 0.90 -0.35 1.13 4.81 -0.70 -1.11 114.58 119.46 2fva h GLU 49 Ca 0.05 -0.28 -0.10 0.00 -0.13 0.00 0.00 59.36 58.89 2fva h GLU 49 Cb 0.65 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 2fva h GLU 49 CO 0.04 0.92 -0.16 1.49 -0.73 0.00 0.00 179.01 180.57 2fva h GLU 50 N 0.77 0.74 0.39 1.92 4.81 0.15 1.23 114.58 124.59 2fva h GLU 50 Ca 0.15 -0.32 -0.02 0.00 -0.13 0.00 0.00 59.36 59.04 2fva h GLU 50 Cb 0.52 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.88 2fva h GLU 50 CO 0.03 0.93 -0.19 1.49 -0.73 0.00 0.00 179.01 180.53 2fva h GLU 51 N 0.52 -0.51 -0.00 1.92 4.81 -0.45 -2.74 114.58 118.13 2fva h GLU 51 Ca 0.08 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2fva h GLU 51 Cb 0.70 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.20 2fva h GLU 51 CO 0.05 -0.29 -0.11 1.19 -0.73 0.00 0.00 179.01 179.12 2fva n PHE 52 N -5.29 0.00 -3.88 0.92 3.72 -0.43 -4.93 117.46 107.57 2fva n PHE 52 Ca -0.11 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.03 2fva n PHE 52 Cb 0.25 -0.20 0.01 0.00 -0.94 0.00 0.00 39.48 38.60 2fva n PHE 52 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2fva n GLY 53 N 1.29 -0.34 0.00 1.37 0.00 0.41 -4.97 105.19 102.95 2fva n GLY 53 Ca 0.14 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.31 2fva n GLY 53 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2fva n ILE 54 N -4.42 0.00 -3.77 -0.61 -5.35 -0.33 -5.00 119.36 99.88 2fva n ILE 54 Ca -0.18 0.00 -0.29 0.00 -0.27 0.00 0.00 62.75 62.01 2fva n ILE 54 Cb 0.62 -0.55 -0.16 0.00 -1.74 0.00 0.00 39.64 37.82 2fva n ILE 54 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2fva s ASN 55 N -0.13 3.55 -0.11 7.28 6.03 -1.26 -4.83 114.94 125.46 2fva s ASN 55 Ca 0.00 -1.23 0.03 0.00 -1.03 0.00 0.00 52.86 50.63 2fva s ASN 55 Cb 0.00 -0.81 -0.00 0.00 -3.03 0.00 0.00 41.25 37.41 2fva s ASN 55 CO 0.00 -0.34 -0.21 0.54 -2.03 0.00 0.00 177.10 175.06 2fva s VAL 56 N 1.67 2.32 0.65 3.54 0.11 -1.26 -4.87 120.40 122.56 2fva s VAL 56 Ca 0.03 -0.92 -0.07 0.00 -2.93 0.00 0.00 61.98 58.09 2fva s VAL 56 Cb -0.17 -1.92 0.03 0.00 -1.53 0.00 0.00 36.38 32.79 2fva s VAL 56 CO -0.15 0.55 0.97 -1.81 -3.33 0.00 0.00 175.10 171.33 2fva s ASP 57 N 0.42 5.25 0.35 3.54 1.01 -1.26 -4.98 116.67 121.00 2fva s ASP 57 Ca -0.15 0.65 0.10 0.00 0.71 0.00 0.00 52.55 53.86 2fva s ASP 57 Cb -0.17 -1.48 0.63 0.00 1.01 0.00 0.00 42.92 42.91 2fva s ASP 57 CO 0.07 -1.32 1.79 1.05 0.21 0.00 0.00 175.17 176.97 2fva h GLU 58 N -0.40 0.11 0.00 8.23 4.11 -2.00 -2.06 114.58 122.56 2fva h GLU 58 Ca -0.45 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 58.94 2fva h GLU 58 Cb 1.28 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 2fva h GLU 58 CO 0.61 0.46 -0.00 0.22 0.07 0.00 0.00 179.01 180.37 2fva h ASP 59 N 0.10 0.00 0.62 3.06 3.58 -2.00 -1.51 116.42 120.27 2fva h ASP 59 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2fva h ASP 59 Cb 0.68 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.73 2fva h ASP 59 CO 0.05 0.00 -0.67 0.29 -2.88 0.00 0.00 179.24 176.04 2fva n LYS 60 N -3.09 0.18 -0.83 0.28 4.76 -0.79 -3.97 118.16 114.70 2fva n LYS 60 Ca 0.01 0.03 0.05 0.00 -2.87 0.00 0.00 58.31 55.53 2fva n LYS 60 Cb 0.30 -1.59 0.16 0.00 -1.84 0.00 0.00 35.03 32.07 2fva n LYS 60 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2fva n ALA 61 N -1.70 3.39 -0.12 7.82 0.00 -0.80 -4.63 120.51 124.47 2fva n ALA 61 Ca 0.04 -3.10 -0.16 0.00 0.00 0.00 0.00 53.44 50.22 2fva n ALA 61 Cb 0.40 -0.44 -0.13 0.00 0.00 0.00 0.00 19.45 19.28 2fva n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fva n GLN 62 N -0.75 0.66 -3.08 0.00 10.64 -0.64 -4.74 117.38 119.48 2fva n GLN 62 Ca 0.16 0.12 -0.16 0.00 -1.83 0.00 0.00 57.00 55.29 2fva n GLN 62 Cb 0.80 -1.53 -0.01 0.00 -0.86 0.00 0.00 30.24 28.64 2fva n GLN 62 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 2fva n ASP 63 N -3.16 0.56 -4.74 2.61 2.03 -1.26 -5.10 116.55 107.49 2fva n ASP 63 Ca -0.43 -3.03 -0.38 0.00 0.52 0.00 0.00 54.79 51.46 2fva n ASP 63 Cb 1.03 -0.34 -0.06 0.00 -0.72 0.00 0.00 41.12 41.03 2fva n ASP 63 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2fva s ILE 64 N -2.21 5.08 0.01 5.18 -1.09 -1.26 -5.07 121.20 121.83 2fva s ILE 64 Ca 0.36 1.11 -0.00 0.00 -2.23 0.00 0.00 60.65 59.90 2fva s ILE 64 Cb 0.36 -3.88 0.00 0.00 -1.58 0.00 0.00 42.46 37.36 2fva s ILE 64 CO -0.06 0.35 0.01 -1.54 -1.23 0.00 0.00 174.94 172.47 2fva n SER 65 N 3.32 -1.88 -3.20 3.58 3.41 -1.26 -4.95 113.62 112.64 2fva n SER 65 Ca -0.06 -0.07 -0.06 0.00 -0.26 0.00 0.00 58.87 58.41 2fva n SER 65 Cb 0.51 -0.01 0.06 0.00 -0.26 0.00 0.00 64.21 64.52 2fva n SER 65 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2fva n THR 66 N -2.95 0.00 0.25 6.66 5.66 -1.26 -4.38 114.28 118.26 2fva n THR 66 Ca 0.00 0.00 0.17 0.00 -3.05 0.00 0.00 64.05 61.17 2fva n THR 66 Cb 0.00 -0.20 0.89 0.00 -1.55 0.00 0.00 70.33 69.47 2fva n THR 66 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 2fva h ILE 67 N -2.05 0.45 0.11 1.09 2.04 -1.84 -2.69 117.51 114.63 2fva h ILE 67 Ca -0.08 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.80 2fva h ILE 67 Cb 0.27 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 2fva h ILE 67 CO 0.05 0.00 -0.37 1.56 0.00 0.00 0.00 178.15 179.39 2fva h GLN 68 N 0.00 -0.57 -0.42 2.37 1.08 -1.64 0.89 115.11 116.82 2fva h GLN 68 Ca 0.04 0.04 -0.15 0.00 -1.45 0.00 0.00 58.65 57.13 2fva h GLN 68 Cb 0.27 0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 2fva h GLN 68 CO -0.00 -0.38 -0.33 1.96 -0.95 0.00 0.00 178.83 179.13 2fva h GLN 69 N -0.59 0.96 -0.51 1.46 1.08 -1.74 -2.77 115.11 113.00 2fva h GLN 69 Ca 0.03 -0.47 0.07 0.00 -1.45 0.00 0.00 58.65 56.83 2fva h GLN 69 Cb 0.63 -0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.00 2fva h GLN 69 CO -0.22 1.14 0.18 0.00 -0.95 0.00 0.00 178.83 178.97 2fva h ALA 70 N 0.81 0.62 -0.77 3.87 0.00 -1.24 0.26 119.26 122.81 2fva h ALA 70 Ca 0.08 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2fva h ALA 70 Cb 0.92 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2fva h ALA 70 CO 0.09 -0.22 0.32 0.00 0.00 0.00 0.00 179.25 179.44 2fva h ALA 71 N 1.34 1.11 -0.48 0.00 0.00 -0.79 -2.00 119.26 118.44 2fva h ALA 71 Ca 0.25 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2fva h ALA 71 Cb 0.27 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2fva h ALA 71 CO -0.25 0.64 -0.07 -0.44 0.00 0.00 0.00 179.25 179.13 2fva h ASP 72 N 1.12 0.84 -0.46 0.00 3.32 -0.91 -1.95 116.42 118.38 2fva h ASP 72 Ca 0.26 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 2fva h ASP 72 Cb 0.19 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 2fva h ASP 72 CO -0.02 0.94 0.20 0.58 -1.72 0.00 0.00 179.24 179.22 2fva h VAL 73 N 0.78 1.19 -0.64 -1.35 2.07 -0.08 -2.74 116.25 115.48 2fva h VAL 73 Ca 0.14 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 2fva h VAL 73 Cb 0.56 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 2fva h VAL 73 CO 0.03 0.22 0.29 0.40 0.02 0.00 0.00 177.57 178.53 2fva h ILE 74 N 0.59 1.23 -0.60 4.57 2.04 -1.19 -1.80 117.51 122.35 2fva h ILE 74 Ca 0.15 -0.66 0.12 0.00 1.00 0.00 0.00 64.86 65.47 2fva h ILE 74 Cb 0.15 0.47 -0.09 0.00 -0.74 0.00 0.00 36.82 36.62 2fva h ILE 74 CO -0.02 0.27 0.10 -0.33 0.00 0.00 0.00 178.15 178.17 2fva h GLU 75 N 0.89 0.22 -0.55 2.37 5.08 -1.07 0.48 114.58 122.00 2fva h GLU 75 Ca 0.22 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.46 2fva h GLU 75 Cb 0.15 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2fva h GLU 75 CO -0.02 0.14 -0.09 0.78 -1.00 0.00 0.00 179.01 178.82 2fva h GLY 76 N 0.22 1.10 1.82 -3.84 0.00 -1.21 -2.82 103.07 98.34 2fva h GLY 76 Ca 0.31 -0.87 -0.07 0.00 0.00 0.00 0.00 47.33 46.70 2fva h GLY 76 CO -0.43 0.80 -0.25 1.41 0.00 0.00 0.00 176.54 178.07 2fva h LEU 77 N 0.91 0.21 -1.27 3.11 3.38 -0.24 -2.61 115.31 118.81 2fva h LEU 77 Ca 0.15 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2fva h LEU 77 Cb 0.65 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2fva h LEU 77 CO 0.05 0.47 0.17 -0.07 0.09 0.00 0.00 178.44 179.15 2fva h LEU 78 N 0.20 0.61 0.60 1.67 3.38 0.14 -3.03 115.31 118.87 2fva h LEU 78 Ca 0.03 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2fva h LEU 78 Cb 0.56 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.16 2fva h LEU 78 CO 0.04 0.57 -0.29 -0.33 0.09 0.00 0.00 178.44 178.52 2fva h GLU 79 N 0.66 -0.77 0.00 1.13 5.08 -1.40 -3.46 114.58 115.82 2fva h GLU 79 Ca 0.16 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2fva h GLU 79 Cb 0.16 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2fva h GLU 79 CO -0.01 -0.46 0.00 0.36 -1.00 0.00 0.00 179.01 177.89 2fva n LYS 80 N -5.37 0.00 -3.60 2.33 -0.00 -1.15 -5.16 118.16 105.22 2fva n LYS 80 Ca -0.12 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.15 2fva n LYS 80 Cb 0.35 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.36 2fva n LYS 80 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2fva s LYS 81 N -0.08 0.28 0.00 -1.58 2.20 -1.18 -4.98 119.74 114.41 2fva s LYS 81 Ca 0.00 -0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.52 2fva s LYS 81 Cb 0.00 0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.45 2fva s LYS 81 CO 0.00 -0.12 0.00 0.00 -0.36 0.00 0.00 175.35 174.87