#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 4.30 0.24 0.00 -0.14 -1.26 -4.93 119.74 117.95 2fva s LYS 2 Ca 0.00 1.42 -0.07 0.00 -1.36 0.00 0.00 55.97 55.95 2fva s LYS 2 Cb 0.00 -2.58 0.23 0.00 -1.68 0.00 0.00 37.83 33.80 2fva s LYS 2 CO 0.00 -0.01 1.91 0.87 -0.76 0.00 0.00 175.35 177.37 2fva h LYS 3 N 2.63 1.24 -0.50 1.68 1.57 -2.00 -0.41 116.57 120.78 2fva h LYS 3 Ca -0.48 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.24 2fva h LYS 3 Cb 1.20 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 33.20 2fva h LYS 3 CO 0.63 0.83 0.30 1.05 -0.57 0.00 0.00 179.45 181.69 2fva h GLU 4 N 1.28 0.58 -0.49 3.15 4.11 -1.99 0.21 114.58 121.42 2fva h GLU 4 Ca 0.34 -0.03 -0.07 0.00 0.07 0.00 0.00 59.36 59.67 2fva h GLU 4 Cb -0.14 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 28.96 2fva h GLU 4 CO -0.07 0.38 0.05 1.15 0.07 0.00 0.00 179.01 180.60 2fva h THR 5 N 0.60 1.25 -0.57 -1.06 2.02 -1.81 -2.11 112.91 111.23 2fva h THR 5 Ca 0.20 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.40 2fva h THR 5 Cb 0.01 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 2fva h THR 5 CO -0.09 0.35 0.37 0.40 0.37 0.00 0.00 175.52 176.92 2fva h ILE 6 N 0.71 1.16 -0.75 3.11 2.04 -0.63 -0.58 117.51 122.56 2fva h ILE 6 Ca 0.15 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 2fva h ILE 6 Cb 0.43 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 2fva h ILE 6 CO 0.01 0.15 0.33 -0.78 0.00 0.00 0.00 178.15 177.87 2fva h ASP 7 N 0.77 0.99 -0.34 1.72 3.58 -0.82 -1.18 116.42 121.15 2fva h ASP 7 Ca 0.21 -0.13 -0.03 0.00 0.42 0.00 0.00 57.03 57.50 2fva h ASP 7 Cb -0.07 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.72 2fva h ASP 7 CO -0.04 0.86 0.09 0.11 -2.88 0.00 0.00 179.24 177.38 2fva h LYS 8 N 1.07 0.53 -0.24 0.28 1.79 -0.77 -0.67 116.57 118.56 2fva h LYS 8 Ca 0.25 -0.12 -0.01 0.00 -2.18 0.00 0.00 60.65 58.59 2fva h LYS 8 Cb 0.15 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 2fva h LYS 8 CO -0.03 0.58 0.12 0.28 -1.08 0.00 0.00 179.45 179.32 2fva h VAL 9 N 0.39 1.14 0.00 0.50 2.07 -0.78 -1.64 116.25 117.92 2fva h VAL 9 Ca 0.11 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 2fva h VAL 9 Cb 0.28 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2fva h VAL 9 CO -0.00 0.13 -0.07 0.77 0.02 0.00 0.00 177.57 178.42 2fva h SER 10 N 0.27 0.00 -0.24 0.57 4.64 -1.12 -2.17 113.55 115.49 2fva h SER 10 Ca 0.08 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.23 2fva h SER 10 Cb 0.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2fva h SER 10 CO -0.01 0.07 -0.52 0.44 -0.87 0.00 0.00 176.83 175.94 2fva h ASP 11 N 0.00 0.91 -0.36 4.97 3.32 -0.21 -3.20 116.42 121.85 2fva h ASP 11 Ca -0.00 -0.47 0.08 0.00 0.02 0.00 0.00 57.03 56.65 2fva h ASP 11 Cb 0.14 -0.26 -0.08 0.00 0.22 0.00 0.00 39.33 39.35 2fva h ASP 11 CO 0.01 1.25 -0.18 0.40 -1.72 0.00 0.00 179.24 179.00 2fva h ILE 12 N 0.64 0.46 -0.55 0.35 1.08 -0.69 1.62 117.51 120.42 2fva h ILE 12 Ca 0.02 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.54 2fva h ILE 12 Cb 1.11 0.46 -0.03 0.00 -3.07 0.00 0.00 36.82 35.29 2fva h ILE 12 CO 0.11 0.00 0.36 0.58 -0.69 0.00 0.00 178.15 178.52 2fva h VAL 13 N -0.13 1.01 0.04 1.67 2.07 -1.62 -0.48 116.25 118.81 2fva h VAL 13 Ca 0.18 -0.19 -0.23 0.00 0.82 0.00 0.00 66.70 67.29 2fva h VAL 13 Cb 0.40 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2fva h VAL 13 CO -0.43 0.10 -1.01 0.11 0.02 0.00 0.00 177.57 176.36 2fva h LYS 14 N 0.55 0.23 0.00 1.57 1.57 -0.45 -3.15 116.57 116.88 2fva h LYS 14 Ca 0.23 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2fva h LYS 14 Cb 0.23 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2fva h LYS 14 CO -0.06 1.06 0.00 0.93 -0.57 0.00 0.00 179.45 180.80 2fva h GLU 15 N 0.10 0.00 -0.51 3.15 5.08 0.37 1.13 114.58 123.91 2fva h GLU 15 Ca -0.07 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 2fva h GLU 15 Cb 1.68 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.91 2fva h GLU 15 CO 0.16 0.00 0.11 0.87 -1.00 0.00 0.00 179.01 179.15 2fva h LYS 16 N 0.00 0.78 0.00 2.33 6.56 -1.25 -3.23 116.57 121.77 2fva h LYS 16 Ca 0.00 -0.16 0.00 0.00 -1.06 0.00 0.00 60.65 59.43 2fva h LYS 16 Cb 0.35 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 31.89 2fva h LYS 16 CO 0.00 0.72 -0.05 1.47 -2.06 0.00 0.00 179.45 179.53 2fva n LEU 17 N -4.28 1.17 -2.41 2.94 -0.00 -0.93 -5.06 117.00 108.43 2fva n LEU 17 Ca 0.04 -1.34 -0.03 0.00 -0.00 0.00 0.00 56.01 54.67 2fva n LEU 17 Cb 0.23 -0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.60 2fva n LEU 17 CO 0.40 0.33 -0.13 0.00 -0.00 0.00 0.00 177.39 177.98 2fva n ALA 18 N -0.39 -3.16 -3.51 1.47 0.00 0.36 -5.09 120.51 110.19 2fva n ALA 18 Ca 0.02 0.63 -0.05 0.00 0.00 0.00 0.00 53.44 54.04 2fva n ALA 18 Cb 0.42 -1.82 -0.01 0.00 0.00 0.00 0.00 19.45 18.04 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 0.01 0.00 0.00 0.00 4.32 0.75 -4.89 117.00 117.19 2fva n LEU 19 Ca 0.05 -0.56 0.00 0.00 -0.02 0.00 0.00 56.01 55.47 2fva n LEU 19 Cb 0.18 0.22 0.00 0.00 -1.62 0.00 0.00 43.42 42.21 2fva n LEU 19 CO 0.33 -0.09 0.00 0.61 -1.22 0.00 0.00 177.39 177.02 2fva n GLY 20 N 1.14 0.29 0.00 -0.72 0.00 -1.26 -4.74 105.19 99.90 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 -1.89 0.00 0.06 4.61 0.00 -1.26 -4.48 120.51 117.55 2fva n ALA 21 Ca 0.00 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.52 2fva n ALA 21 Cb 0.00 0.00 0.28 0.00 0.00 0.00 0.00 19.45 19.73 2fva n ALA 21 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2fva n ASP 22 N -1.69 3.41 -4.34 0.00 8.00 -1.26 -4.88 116.55 115.79 2fva n ASP 22 Ca 0.00 -1.98 -0.33 0.00 0.71 0.00 0.00 54.79 53.19 2fva n ASP 22 Cb 0.00 -0.38 -0.15 0.00 -0.02 0.00 0.00 41.12 40.57 2fva n ASP 22 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2fva s VAL 23 N -1.23 2.73 0.16 2.53 1.01 -1.26 -5.10 120.40 119.23 2fva s VAL 23 Ca 0.42 -0.79 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 2fva s VAL 23 Cb 0.23 -2.10 -0.08 0.00 0.00 0.00 0.00 36.38 34.42 2fva s VAL 23 CO 0.30 0.55 1.32 -0.69 0.00 0.00 0.00 175.10 176.57 2fva s VAL 24 N 0.14 3.33 -0.21 2.92 1.01 -1.26 -4.21 120.40 122.12 2fva s VAL 24 Ca -0.09 1.04 -0.07 0.00 0.00 0.00 0.00 61.98 62.86 2fva s VAL 24 Cb -0.15 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2fva s VAL 24 CO 0.05 0.13 0.07 -0.69 0.00 0.00 0.00 175.10 174.66 2fva s VAL 25 N 0.48 4.60 0.02 2.92 1.01 -1.26 -5.00 120.40 123.17 2fva s VAL 25 Ca 0.59 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.47 2fva s VAL 25 Cb -0.36 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 2fva s VAL 25 CO 0.35 0.41 -0.01 0.42 0.00 0.00 0.00 175.10 176.27 2fva s THR 26 N 0.84 0.11 -0.02 3.92 -4.23 -1.26 -5.06 115.64 109.94 2fva s THR 26 Ca 0.04 -0.94 -0.22 0.00 -1.18 0.00 0.00 61.69 59.39 2fva s THR 26 Cb -0.14 -0.37 -0.22 0.00 1.34 0.00 0.00 72.50 73.11 2fva s THR 26 CO 0.02 -0.52 1.09 0.00 -0.54 0.00 0.00 174.62 174.68 2fva h ALA 27 N 4.50 0.07 0.00 3.99 0.00 -1.96 -3.09 119.26 122.76 2fva h ALA 27 Ca -0.32 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.10 2fva h ALA 27 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2fva h ALA 27 CO 0.43 0.19 0.00 -0.25 0.00 0.00 0.00 179.25 179.61 2fva n ASP 28 N -4.41 0.28 0.00 0.00 8.00 -1.26 -3.10 116.55 116.06 2fva n ASP 28 Ca -0.10 -1.25 0.14 0.00 0.71 0.00 0.00 54.79 54.29 2fva n ASP 28 Cb 0.55 -0.14 0.73 0.00 -0.02 0.00 0.00 41.12 42.24 2fva n ASP 28 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2fva n SER 29 N -0.20 0.00 -1.68 -2.24 3.41 -1.17 -4.99 113.62 106.75 2fva n SER 29 Ca 0.00 -0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 2fva n SER 29 Cb 0.07 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 2fva n SER 29 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2fva n GLU 30 N -1.26 -4.61 -0.21 4.33 1.02 -1.18 -4.67 120.64 114.06 2fva n GLU 30 Ca 0.14 3.48 -0.07 0.00 -0.02 0.00 0.00 57.16 60.69 2fva n GLU 30 Cb 0.21 -4.06 0.03 0.00 -0.02 0.00 0.00 31.44 27.60 2fva n GLU 30 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 2fva h PHE 31 N 1.26 0.80 -4.05 -0.32 0.04 -1.89 -3.43 116.94 109.35 2fva h PHE 31 Ca 0.00 -0.01 -0.50 0.00 2.80 0.00 0.00 57.97 60.26 2fva h PHE 31 Cb 0.31 -0.26 0.06 0.00 2.20 0.00 0.00 35.95 38.27 2fva h PHE 31 CO 0.03 0.56 0.44 -1.12 -0.60 0.00 0.00 178.31 177.62 2fva s SER 32 N -5.87 6.03 0.03 2.17 0.01 -1.26 -5.05 113.70 109.76 2fva s SER 32 Ca -0.13 2.17 0.02 0.00 1.31 0.00 0.00 55.95 59.33 2fva s SER 32 Cb 0.13 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.75 2fva s SER 32 CO 0.77 -1.01 -0.08 -0.54 0.41 0.00 0.00 173.24 172.79 2fva s LYS 33 N -3.03 0.53 0.30 12.44 1.02 -1.26 -5.06 119.74 124.67 2fva s LYS 33 Ca 0.68 -0.63 -0.28 0.00 0.02 0.00 0.00 55.97 55.76 2fva s LYS 33 Cb -0.24 -0.36 -0.09 0.00 -0.52 0.00 0.00 37.83 36.62 2fva s LYS 33 CO 0.28 0.07 1.05 -0.51 -0.92 0.00 0.00 175.35 175.33 2fva s LEU 34 N -1.23 4.46 -0.58 3.17 1.02 -1.26 -3.34 118.68 120.93 2fva s LEU 34 Ca -0.07 2.13 0.00 0.00 0.02 0.00 0.00 54.13 56.22 2fva s LEU 34 Cb -0.08 -3.78 0.00 0.00 0.02 0.00 0.00 46.19 42.35 2fva s LEU 34 CO 0.00 -0.17 0.00 0.61 0.02 0.00 0.00 176.35 176.81 2fva n GLY 35 N 1.00 0.19 3.19 -3.19 0.00 -1.26 -5.03 105.19 100.09 2fva n GLY 35 Ca 0.00 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.32 1.10 0.99 4.61 0.00 -1.21 -5.16 121.76 119.77 2fva s ALA 36 Ca 0.00 -1.33 -0.16 0.00 0.00 0.00 0.00 51.96 50.47 2fva s ALA 36 Cb 0.00 0.10 0.20 0.00 0.00 0.00 0.00 23.12 23.43 2fva s ALA 36 CO 0.00 -0.16 1.26 -0.51 0.00 0.00 0.00 175.76 176.35 2fva s ASP 37 N -2.91 2.84 0.65 0.00 1.01 -1.26 -4.94 116.67 112.05 2fva s ASP 37 Ca 0.11 0.43 -0.18 0.00 0.71 0.00 0.00 52.55 53.63 2fva s ASP 37 Cb 0.03 -0.59 -0.02 0.00 1.01 0.00 0.00 42.92 43.34 2fva s ASP 37 CO -0.02 -2.92 1.15 -0.24 0.21 0.00 0.00 175.17 173.35 2fva n SER 38 N -3.92 1.44 -4.74 0.27 2.88 -1.26 -4.91 113.62 103.38 2fva n SER 38 Ca 0.14 0.79 -0.36 0.00 -1.33 0.00 0.00 58.87 58.11 2fva n SER 38 Cb 0.60 -1.49 -0.07 0.00 -0.75 0.00 0.00 64.21 62.50 2fva n SER 38 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2fva s LEU 39 N -3.54 4.24 -0.58 2.46 2.96 -1.26 -5.04 118.68 117.92 2fva s LEU 39 Ca 0.80 0.40 -0.27 0.00 -0.22 0.00 0.00 54.13 54.84 2fva s LEU 39 Cb -0.38 -2.24 0.03 0.00 0.50 0.00 0.00 46.19 44.10 2fva s LEU 39 CO 0.43 0.15 1.10 -1.81 -1.32 0.00 0.00 176.35 174.91 2fva s ASP 40 N 0.32 6.40 0.19 3.68 1.01 -1.26 -4.89 116.67 122.12 2fva s ASP 40 Ca 0.13 -0.09 -0.08 0.00 0.71 0.00 0.00 52.55 53.22 2fva s ASP 40 Cb -0.12 -2.51 0.10 0.00 1.01 0.00 0.00 42.92 41.40 2fva s ASP 40 CO 0.02 -1.40 1.68 0.74 0.21 0.00 0.00 175.17 176.42 2fva h THR 41 N 6.10 1.26 -0.68 -1.27 2.02 -1.96 -0.60 112.91 117.78 2fva h THR 41 Ca -0.25 -1.07 0.03 0.00 0.77 0.00 0.00 66.41 65.88 2fva h THR 41 Cb 1.06 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 2fva h THR 41 CO 1.15 0.40 0.43 -0.37 0.37 0.00 0.00 175.52 177.50 2fva h VAL 42 N 1.03 1.10 -0.20 3.16 -1.51 -1.93 1.02 116.25 118.92 2fva h VAL 42 Ca 0.20 -0.29 -0.15 0.00 -1.23 0.00 0.00 66.70 65.23 2fva h VAL 42 Cb 0.47 0.18 0.00 0.00 -2.13 0.00 0.00 31.29 29.82 2fva h VAL 42 CO 0.02 0.15 -0.45 -0.33 -1.23 0.00 0.00 177.57 175.73 2fva h GLU 43 N 0.84 0.65 -0.17 5.19 5.08 -1.93 -2.19 114.58 122.05 2fva h GLU 43 Ca 0.27 -0.44 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 2fva h GLU 43 Cb 0.00 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2fva h GLU 43 CO -0.10 1.06 -0.08 0.82 -1.00 0.00 0.00 179.01 179.70 2fva h ILE 44 N 0.34 1.31 -0.56 3.13 1.08 -0.67 -2.15 117.51 119.99 2fva h ILE 44 Ca -0.00 -1.13 -0.03 0.00 -0.39 0.00 0.00 64.86 63.31 2fva h ILE 44 Cb 1.06 1.69 -0.02 0.00 -3.07 0.00 0.00 36.82 36.47 2fva h ILE 44 CO 0.10 0.34 0.23 1.62 -0.69 0.00 0.00 178.15 179.74 2fva h VAL 45 N 0.04 1.22 -0.85 1.67 3.04 0.10 -2.17 116.25 119.30 2fva h VAL 45 Ca 0.04 -0.68 -0.02 0.00 -1.01 0.00 0.00 66.70 65.03 2fva h VAL 45 Cb 0.56 0.63 -0.04 0.00 -2.01 0.00 0.00 31.29 30.43 2fva h VAL 45 CO 0.03 0.26 0.46 -0.03 -1.01 0.00 0.00 177.57 177.28 2fva h MET 46 N 0.76 1.19 -0.50 4.17 1.85 -1.39 -0.75 114.93 120.25 2fva h MET 46 Ca 0.19 -0.14 -0.03 0.00 -0.61 0.00 0.00 59.70 59.11 2fva h MET 46 Cb 0.19 -0.23 -0.02 0.00 0.43 0.00 0.00 31.60 31.97 2fva h MET 46 CO -0.02 0.88 0.21 -0.91 -0.40 0.00 0.00 176.91 176.67 2fva h ASN 47 N 1.20 0.68 -0.39 1.39 -0.26 -1.02 0.27 115.58 117.44 2fva h ASN 47 Ca 0.30 -0.16 -0.04 0.00 -0.56 0.00 0.00 56.30 55.84 2fva h ASN 47 Cb 0.04 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.11 2fva h ASN 47 CO -0.05 0.65 0.07 -0.07 -1.06 0.00 0.00 177.43 176.98 2fva h LEU 48 N 0.67 0.62 -0.63 1.61 3.38 -0.99 0.46 115.31 120.42 2fva h LEU 48 Ca 0.17 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 2fva h LEU 48 Cb 0.17 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2fva h LEU 48 CO -0.02 0.71 0.00 -0.08 0.09 0.00 0.00 178.44 179.15 2fva h GLU 49 N 0.49 1.07 -0.20 1.13 4.81 -0.97 0.04 114.58 120.96 2fva h GLU 49 Ca 0.12 -0.34 -0.12 0.00 -0.13 0.00 0.00 59.36 58.89 2fva h GLU 49 Cb 0.35 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2fva h GLU 49 CO 0.01 1.04 -0.35 1.49 -0.73 0.00 0.00 179.01 180.46 2fva h GLU 50 N 0.98 0.58 -0.26 1.92 4.81 -0.28 1.20 114.58 123.53 2fva h GLU 50 Ca 0.17 -0.37 -0.02 0.00 -0.13 0.00 0.00 59.36 59.01 2fva h GLU 50 Cb 0.56 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 2fva h GLU 50 CO 0.03 0.98 0.08 1.49 -0.73 0.00 0.00 179.01 180.86 2fva h GLU 51 N 0.26 0.40 0.00 1.92 4.81 0.01 -2.75 114.58 119.23 2fva h GLU 51 Ca 0.01 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2fva h GLU 51 Cb 0.95 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.27 2fva h GLU 51 CO 0.08 0.47 -0.35 1.19 -0.73 0.00 0.00 179.01 179.68 2fva n PHE 52 N -4.74 0.03 -3.72 0.92 3.72 -0.01 -4.94 117.46 108.72 2fva n PHE 52 Ca -0.03 0.01 -0.27 0.00 -0.05 0.00 0.00 57.45 57.11 2fva n PHE 52 Cb 0.16 -0.35 0.05 0.00 -0.94 0.00 0.00 39.48 38.40 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 1.49 -0.53 0.00 1.37 0.00 0.40 -4.98 105.19 102.94 2fva n GLY 53 Ca 0.06 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -4.84 0.00 -3.84 -0.61 -5.35 -0.23 -4.73 119.36 99.76 2fva n ILE 54 Ca 0.02 0.00 -0.26 0.00 -0.27 0.00 0.00 62.75 62.24 2fva n ILE 54 Cb 0.55 -0.52 -0.17 0.00 -1.74 0.00 0.00 39.64 37.76 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 -0.27 2.17 -0.09 7.28 6.03 -1.26 -4.81 114.94 123.98 2fva s ASN 55 Ca 0.00 -0.35 0.04 0.00 -1.03 0.00 0.00 52.86 51.53 2fva s ASN 55 Cb 0.00 -0.69 -0.00 0.00 -3.03 0.00 0.00 41.25 37.53 2fva s ASN 55 CO 0.00 -0.18 -0.22 -0.69 -2.03 0.00 0.00 177.10 173.98 2fva s VAL 56 N 1.80 1.92 0.21 3.54 1.01 -1.26 -4.98 120.40 122.65 2fva s VAL 56 Ca 0.04 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 61.01 2fva s VAL 56 Cb -0.13 -1.66 -0.06 0.00 0.00 0.00 0.00 36.38 34.53 2fva s VAL 56 CO -0.07 0.53 0.48 -1.81 0.00 0.00 0.00 175.10 174.23 2fva s ASP 57 N 0.29 6.52 0.36 3.32 1.01 -1.26 -4.98 116.67 121.93 2fva s ASP 57 Ca -0.15 0.72 0.03 0.00 0.71 0.00 0.00 52.55 53.86 2fva s ASP 57 Cb -0.17 -2.14 0.67 0.00 1.01 0.00 0.00 42.92 42.29 2fva s ASP 57 CO 0.07 -0.06 2.01 -0.33 0.21 0.00 0.00 175.17 177.08 2fva h GLU 58 N 2.39 0.77 0.00 8.23 4.39 -2.00 0.75 114.58 129.11 2fva h GLU 58 Ca -0.47 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.18 2fva h GLU 58 Cb 1.17 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 2fva h GLU 58 CO 0.70 0.52 0.00 -0.44 -1.16 0.00 0.00 179.01 178.63 2fva h ASP 59 N 0.79 0.00 0.44 1.42 3.32 -2.01 -2.53 116.42 117.86 2fva h ASP 59 Ca 0.21 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.97 2fva h ASP 59 Cb -0.07 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.42 2fva h ASP 59 CO -0.04 0.00 -1.77 1.17 -1.72 0.00 0.00 179.24 176.87 2fva n LYS 60 N -2.93 0.64 -2.05 3.56 3.00 0.11 -4.27 118.16 116.22 2fva n LYS 60 Ca 0.00 0.26 -0.33 0.00 -0.00 0.00 0.00 58.31 58.24 2fva n LYS 60 Cb 0.26 -1.76 0.03 0.00 0.00 0.00 0.00 35.03 33.55 2fva n LYS 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2fva n ALA 61 N -2.57 5.81 -0.01 3.14 0.00 -0.35 -4.50 120.51 122.03 2fva n ALA 61 Ca -0.18 -4.07 -0.01 0.00 0.00 0.00 0.00 53.44 49.18 2fva n ALA 61 Cb 1.05 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 19.23 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 -0.59 2.48 -2.83 0.00 10.64 -1.05 -4.84 117.38 121.19 2fva n GLN 62 Ca 0.49 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 55.53 2fva n GLN 62 Cb 0.53 -1.05 0.01 0.00 -0.86 0.00 0.00 30.24 28.87 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 -2.24 1.38 -4.71 2.61 -0.08 -1.26 -5.09 116.55 107.16 2fva n ASP 63 Ca -0.04 -2.85 -0.39 0.00 -1.51 0.00 0.00 54.79 50.00 2fva n ASP 63 Cb 0.56 -0.56 -0.05 0.00 2.34 0.00 0.00 41.12 43.41 2fva n ASP 63 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2fva s ILE 64 N -2.98 5.11 0.04 5.18 -1.09 -1.26 -5.06 121.20 121.13 2fva s ILE 64 Ca 0.32 1.19 -0.01 0.00 -2.23 0.00 0.00 60.65 59.92 2fva s ILE 64 Cb 0.42 -3.93 0.01 0.00 -1.58 0.00 0.00 42.46 37.38 2fva s ILE 64 CO -0.01 0.27 0.02 -1.54 -1.23 0.00 0.00 174.94 172.45 2fva n SER 65 N 3.90 -1.77 -3.17 3.58 3.41 -1.26 -4.94 113.62 113.36 2fva n SER 65 Ca -0.04 -0.02 -0.05 0.00 -0.26 0.00 0.00 58.87 58.50 2fva n SER 65 Cb 0.51 -0.03 0.04 0.00 -0.26 0.00 0.00 64.21 64.48 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 -2.94 0.00 0.28 6.66 5.66 -1.26 -4.41 114.28 118.28 2fva n THR 66 Ca 0.00 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.14 2fva n THR 66 Cb 0.02 -0.15 0.83 0.00 -1.55 0.00 0.00 70.33 69.48 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 -1.89 0.58 -0.06 1.09 2.04 -1.88 -2.74 117.51 114.66 2fva h ILE 67 Ca -0.06 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.62 2fva h ILE 67 Cb 0.20 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 2fva h ILE 67 CO 0.04 0.05 -0.05 1.56 0.00 0.00 0.00 178.15 179.74 2fva h GLN 68 N 0.00 -0.07 -0.32 2.37 1.08 -1.86 -0.62 115.11 115.69 2fva h GLN 68 Ca -0.00 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.04 2fva h GLN 68 Cb 0.12 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 2fva h GLN 68 CO 0.01 -0.04 -0.43 0.37 -0.95 0.00 0.00 178.83 177.78 2fva h GLN 69 N -0.07 0.81 -0.85 1.46 4.15 -1.76 -2.98 115.11 115.87 2fva h GLN 69 Ca 0.04 -0.45 0.06 0.00 0.77 0.00 0.00 58.65 59.07 2fva h GLN 69 Cb 0.13 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 27.79 2fva h GLN 69 CO -0.10 1.08 0.53 0.00 -1.93 0.00 0.00 178.83 178.41 2fva h ALA 70 N 0.85 1.16 -0.74 3.38 0.00 -1.21 0.44 119.26 123.15 2fva h ALA 70 Ca 0.04 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2fva h ALA 70 Cb 1.01 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2fva h ALA 70 CO 0.10 0.29 0.23 0.00 0.00 0.00 0.00 179.25 179.87 2fva h ALA 71 N 1.40 0.97 -0.56 0.00 0.00 -1.05 -1.73 119.26 118.28 2fva h ALA 71 Ca 0.37 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2fva h ALA 71 Cb 0.15 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2fva h ALA 71 CO -0.16 0.66 0.04 0.22 0.00 0.00 0.00 179.25 180.00 2fva h ASP 72 N 1.10 0.94 -0.53 0.00 3.58 -1.13 -1.92 116.42 118.46 2fva h ASP 72 Ca 0.24 -0.29 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 2fva h ASP 72 Cb 0.31 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 2fva h ASP 72 CO -0.01 0.99 0.27 0.58 -2.88 0.00 0.00 179.24 178.20 2fva h VAL 73 N 0.85 1.19 -0.53 2.25 2.07 -0.65 -2.72 116.25 118.70 2fva h VAL 73 Ca 0.16 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 2fva h VAL 73 Cb 0.48 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2fva h VAL 73 CO 0.02 0.20 0.27 0.40 0.02 0.00 0.00 177.57 178.48 2fva h ILE 74 N 0.71 1.19 -0.75 4.57 2.04 -1.18 -2.09 117.51 122.01 2fva h ILE 74 Ca 0.18 -0.53 0.15 0.00 1.00 0.00 0.00 64.86 65.66 2fva h ILE 74 Cb 0.08 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 36.68 2fva h ILE 74 CO -0.03 0.22 0.50 -0.33 0.00 0.00 0.00 178.15 178.51 2fva h GLU 75 N 0.71 0.37 0.00 2.37 4.39 -1.07 0.49 114.58 121.85 2fva h GLU 75 Ca 0.18 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.77 2fva h GLU 75 Cb 0.10 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 2fva h GLU 75 CO -0.02 0.25 -0.41 0.78 -1.16 0.00 0.00 179.01 178.44 2fva h GLY 76 N 0.38 0.00 1.29 -3.84 0.00 -1.10 -2.93 103.07 96.88 2fva h GLY 76 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2fva h GLY 76 CO -0.11 0.00 -0.34 1.04 0.00 0.00 0.00 176.54 177.13 2fva n LEU 77 N -3.39 0.35 0.06 3.11 4.77 0.15 -3.52 117.00 118.53 2fva n LEU 77 Ca 0.01 0.15 0.11 0.00 -0.03 0.00 0.00 56.01 56.25 2fva n LEU 77 Cb 0.59 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 2fva n LEU 77 CO 0.38 0.09 -0.13 0.18 -1.33 0.00 0.00 177.39 176.58 2fva n LEU 78 N -1.48 0.60 0.01 2.23 4.77 -0.07 -2.39 117.00 120.66 2fva n LEU 78 Ca 0.06 0.15 -0.11 0.00 -0.03 0.00 0.00 56.01 56.09 2fva n LEU 78 Cb 0.34 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.32 2fva n LEU 78 CO 0.32 -0.07 0.65 -0.33 -1.33 0.00 0.00 177.39 176.63 2fva h GLU 79 N 0.00 -0.38 0.00 3.23 5.08 -1.58 -3.15 114.58 117.78 2fva h GLU 79 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2fva h GLU 79 Cb 0.91 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2fva h GLU 79 CO 0.00 -0.25 -1.53 0.36 -1.00 0.00 0.00 179.01 176.59 2fva n LYS 80 N -5.41 0.78 -3.13 2.33 -0.00 -1.26 -5.05 118.16 106.42 2fva n LYS 80 Ca -0.03 -0.12 -0.19 0.00 -0.00 0.00 0.00 58.31 57.97 2fva n LYS 80 Cb 0.32 -1.37 0.02 0.00 -0.00 0.00 0.00 35.03 34.00 2fva n LYS 80 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2fva n LYS 81 N -1.91 -1.02 0.00 -1.58 4.81 -1.01 -5.15 118.16 112.30 2fva n LYS 81 Ca -0.02 1.00 0.10 0.00 -0.87 0.00 0.00 58.31 58.53 2fva n LYS 81 Cb 0.40 -1.36 0.59 0.00 0.02 0.00 0.00 35.03 34.67 2fva n LYS 81 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57