#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 4.16 0.36 0.00 1.02 -1.26 -4.91 119.74 119.11 2fva s LYS 2 Ca 0.00 1.28 0.03 0.00 0.02 0.00 0.00 55.97 57.29 2fva s LYS 2 Cb 0.00 -2.31 0.66 0.00 -0.52 0.00 0.00 37.83 35.66 2fva s LYS 2 CO 0.00 -0.10 2.02 0.87 -0.92 0.00 0.00 175.35 177.21 2fva h LYS 3 N 2.10 0.80 -0.36 1.68 1.57 -2.02 -0.34 116.57 120.01 2fva h LYS 3 Ca -0.49 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 2fva h LYS 3 Cb 1.20 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 2fva h LYS 3 CO 0.61 0.53 0.23 1.05 -0.57 0.00 0.00 179.45 181.31 2fva h GLU 4 N 0.82 0.46 -0.23 3.15 4.11 -2.00 0.62 114.58 121.51 2fva h GLU 4 Ca 0.22 -0.03 -0.18 0.00 0.07 0.00 0.00 59.36 59.45 2fva h GLU 4 Cb -0.09 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.06 2fva h GLU 4 CO -0.05 0.31 -0.54 1.15 0.07 0.00 0.00 179.01 179.95 2fva h THR 5 N 0.48 1.29 -0.58 -1.06 2.02 -1.84 -2.86 112.91 110.36 2fva h THR 5 Ca 0.13 -1.74 -0.00 0.00 0.77 0.00 0.00 66.41 65.56 2fva h THR 5 Cb -0.05 1.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.11 2fva h THR 5 CO -0.03 0.56 0.34 0.40 0.37 0.00 0.00 175.52 177.16 2fva h ILE 6 N 0.52 1.18 -0.79 3.11 2.04 -0.88 -1.46 117.51 121.24 2fva h ILE 6 Ca -0.00 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 2fva h ILE 6 Cb 1.15 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 2fva h ILE 6 CO 0.12 0.18 0.36 -2.24 0.00 0.00 0.00 178.15 176.57 2fva h ASP 7 N 0.78 1.04 -0.44 1.72 3.04 -0.89 -2.19 116.42 119.48 2fva h ASP 7 Ca 0.21 -0.14 -0.01 0.00 -3.24 0.00 0.00 57.03 53.84 2fva h ASP 7 Cb -0.01 -0.27 -0.02 0.00 -1.04 0.00 0.00 39.33 38.00 2fva h ASP 7 CO -0.04 0.90 0.23 0.11 -2.04 0.00 0.00 179.24 178.39 2fva h LYS 8 N 1.12 0.62 -0.31 4.15 1.79 -1.23 0.58 116.57 123.28 2fva h LYS 8 Ca 0.27 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 2fva h LYS 8 Cb 0.14 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 2fva h LYS 8 CO -0.03 0.51 0.20 0.28 -1.08 0.00 0.00 179.45 179.33 2fva h VAL 9 N 0.57 1.09 -0.56 0.50 2.07 -1.00 -1.73 116.25 117.18 2fva h VAL 9 Ca 0.15 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 2fva h VAL 9 Cb 0.08 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2fva h VAL 9 CO -0.02 0.08 0.17 0.28 0.02 0.00 0.00 177.57 178.10 2fva h SER 10 N 0.42 0.79 -0.60 0.57 0.02 -1.17 -2.83 113.55 110.74 2fva h SER 10 Ca 0.11 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2fva h SER 10 Cb -0.04 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 2fva h SER 10 CO -0.02 0.75 0.34 0.44 -1.14 0.00 0.00 176.83 177.19 2fva h ASP 11 N 0.83 0.75 -0.68 3.07 3.32 -0.27 -1.93 116.42 121.49 2fva h ASP 11 Ca 0.19 -0.09 0.13 0.00 0.02 0.00 0.00 57.03 57.28 2fva h ASP 11 Cb 0.25 -0.19 -0.09 0.00 0.22 0.00 0.00 39.33 39.52 2fva h ASP 11 CO -0.01 0.62 0.20 0.40 -1.72 0.00 0.00 179.24 178.73 2fva h ILE 12 N 0.82 0.61 -0.37 0.35 5.03 -1.07 1.28 117.51 124.16 2fva h ILE 12 Ca 0.21 -0.11 -0.04 0.00 -0.12 0.00 0.00 64.86 64.80 2fva h ILE 12 Cb 0.03 0.26 -0.01 0.00 -3.03 0.00 0.00 36.82 34.07 2fva h ILE 12 CO -0.04 0.06 0.06 0.58 -0.68 0.00 0.00 178.15 178.13 2fva h VAL 13 N 0.32 1.24 -0.38 1.67 2.07 -1.47 -2.40 116.25 117.29 2fva h VAL 13 Ca 0.37 -0.85 -0.06 0.00 0.82 0.00 0.00 66.70 66.99 2fva h VAL 13 Cb 0.58 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2fva h VAL 13 CO -0.43 0.29 0.02 0.11 0.02 0.00 0.00 177.57 177.58 2fva h LYS 14 N 0.45 0.66 -0.23 1.57 1.57 -0.20 -2.87 116.57 117.53 2fva h LYS 14 Ca 0.11 -0.20 0.03 0.00 -1.87 0.00 0.00 60.65 58.73 2fva h LYS 14 Cb 0.36 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2fva h LYS 14 CO 0.01 0.75 0.16 0.93 -0.57 0.00 0.00 179.45 180.72 2fva h GLU 15 N 0.49 0.16 -0.51 3.15 5.08 0.16 2.43 114.58 125.54 2fva h GLU 15 Ca 0.11 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 2fva h GLU 15 Cb 0.43 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2fva h GLU 15 CO 0.02 0.10 0.13 0.87 -1.00 0.00 0.00 179.01 179.13 2fva h LYS 16 N 0.16 0.77 -0.01 2.33 1.57 -1.20 -3.00 116.57 117.19 2fva h LYS 16 Ca 0.10 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2fva h LYS 16 Cb 0.19 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2fva h LYS 16 CO -0.02 0.69 -0.18 1.47 -0.57 0.00 0.00 179.45 180.85 2fva n LEU 17 N -4.29 1.43 -2.07 2.94 -0.00 -0.39 -5.02 117.00 109.59 2fva n LEU 17 Ca 0.04 -0.82 -0.04 0.00 -0.00 0.00 0.00 56.01 55.19 2fva n LEU 17 Cb 0.21 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.65 2fva n LEU 17 CO 0.39 0.28 0.03 0.00 -0.00 0.00 0.00 177.39 178.09 2fva n ALA 18 N -0.04 -1.29 -4.12 1.47 0.00 0.79 -5.08 120.51 112.23 2fva n ALA 18 Ca 0.05 0.04 -0.13 0.00 0.00 0.00 0.00 53.44 53.39 2fva n ALA 18 Cb 0.24 -1.95 -0.02 0.00 0.00 0.00 0.00 19.45 17.72 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 -1.93 0.00 0.00 0.00 4.32 0.53 -4.80 117.00 115.12 2fva n LEU 19 Ca -0.02 -1.32 0.00 0.00 -0.02 0.00 0.00 56.01 54.65 2fva n LEU 19 Cb 0.53 0.10 0.00 0.00 -1.62 0.00 0.00 43.42 42.43 2fva n LEU 19 CO 0.19 -0.25 0.00 0.61 -1.22 0.00 0.00 177.39 176.72 2fva n GLY 20 N 2.34 0.48 0.00 -0.72 0.00 -1.26 -4.63 105.19 101.39 2fva n GLY 20 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.68 0.00 -0.41 4.61 0.00 -1.26 -4.57 120.51 117.20 2fva n ALA 21 Ca 0.00 -0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.53 2fva n ALA 21 Cb 0.00 0.00 0.32 0.00 0.00 0.00 0.00 19.45 19.77 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 -1.17 4.04 -4.36 0.00 8.00 -1.26 -4.91 116.55 116.90 2fva n ASP 22 Ca 0.00 -2.10 -0.32 0.00 0.71 0.00 0.00 54.79 53.08 2fva n ASP 22 Cb 0.00 -0.49 -0.15 0.00 -0.02 0.00 0.00 41.12 40.46 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 -1.18 2.73 0.19 2.53 1.01 -1.26 -5.10 120.40 119.32 2fva s VAL 23 Ca 0.47 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 2fva s VAL 23 Cb 0.26 -2.09 -0.08 0.00 0.00 0.00 0.00 36.38 34.47 2fva s VAL 23 CO 0.30 0.55 1.21 -0.69 0.00 0.00 0.00 175.10 176.48 2fva s VAL 24 N -0.03 3.51 -0.22 2.92 1.01 -1.26 -4.10 120.40 122.23 2fva s VAL 24 Ca -0.05 1.27 -0.08 0.00 0.00 0.00 0.00 61.98 63.13 2fva s VAL 24 Cb -0.14 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 2fva s VAL 24 CO 0.04 0.21 0.08 0.54 0.00 0.00 0.00 175.10 175.97 2fva s VAL 25 N -0.07 4.71 0.05 2.92 0.11 -1.26 -4.98 120.40 121.88 2fva s VAL 25 Ca 0.53 -0.05 0.02 0.00 -2.93 0.00 0.00 61.98 59.55 2fva s VAL 25 Cb -0.33 -3.16 -0.03 0.00 -1.53 0.00 0.00 36.38 31.33 2fva s VAL 25 CO 0.37 0.40 -0.08 0.42 -3.33 0.00 0.00 175.10 172.88 2fva s THR 26 N 0.93 0.58 -0.06 5.04 -4.23 -1.26 -5.06 115.64 111.59 2fva s THR 26 Ca 0.04 -1.17 -0.10 0.00 -1.18 0.00 0.00 61.69 59.28 2fva s THR 26 Cb -0.14 -0.74 -0.30 0.00 1.34 0.00 0.00 72.50 72.67 2fva s THR 26 CO 0.03 -0.42 0.63 0.00 -0.54 0.00 0.00 174.62 174.31 2fva h ALA 27 N 4.34 0.20 -0.03 3.99 0.00 -1.96 -3.30 119.26 122.51 2fva h ALA 27 Ca -0.36 -1.18 0.00 0.00 0.00 0.00 0.00 54.91 53.37 2fva h ALA 27 Cb 1.20 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2fva h ALA 27 CO 0.43 1.08 0.00 -0.25 0.00 0.00 0.00 179.25 180.51 2fva n ASP 28 N -3.57 0.43 -0.92 0.00 9.92 -1.26 -2.82 116.55 118.33 2fva n ASP 28 Ca -0.26 -2.01 0.06 0.00 -0.53 0.00 0.00 54.79 52.05 2fva n ASP 28 Cb 1.07 -0.15 0.20 0.00 -0.64 0.00 0.00 41.12 41.60 2fva n ASP 28 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2fva n SER 29 N -0.30 2.66 -1.44 -2.24 7.64 -1.24 -5.00 113.62 113.70 2fva n SER 29 Ca 0.01 -2.16 0.09 0.00 1.01 0.00 0.00 58.87 57.82 2fva n SER 29 Cb 0.09 -0.38 -0.05 0.00 -1.01 0.00 0.00 64.21 62.87 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 0.60 -3.33 -0.13 1.43 1.02 -1.22 -4.49 120.64 114.51 2fva n GLU 30 Ca 0.14 2.66 -0.02 0.00 -0.02 0.00 0.00 57.16 59.93 2fva n GLU 30 Cb 0.48 -3.64 0.21 0.00 -0.02 0.00 0.00 31.44 28.48 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 -0.74 0.84 -2.77 -0.32 -1.00 -1.89 -3.45 116.94 107.62 2fva h PHE 31 Ca -0.10 -0.06 -0.11 0.00 2.81 0.00 0.00 57.97 60.51 2fva h PHE 31 Cb 1.09 -0.25 -0.21 0.00 3.61 0.00 0.00 35.95 40.19 2fva h PHE 31 CO 0.06 0.68 -0.17 0.45 -1.61 0.00 0.00 178.31 177.71 2fva s SER 32 N -6.56 -0.33 0.18 2.17 0.15 -1.26 -5.05 113.70 102.99 2fva s SER 32 Ca -0.10 0.37 -0.12 0.00 0.70 0.00 0.00 55.95 56.80 2fva s SER 32 Cb 0.16 0.47 0.08 0.00 -1.71 0.00 0.00 66.02 65.03 2fva s SER 32 CO 0.79 -0.42 1.75 0.11 1.20 0.00 0.00 173.24 176.68 2fva h LYS 33 N 4.04 0.88 -5.75 5.44 1.57 -1.86 -3.42 116.57 117.48 2fva h LYS 33 Ca -0.29 -0.14 -0.66 0.00 -1.87 0.00 0.00 60.65 57.69 2fva h LYS 33 Cb 1.17 -0.15 -0.19 0.00 0.08 0.00 0.00 32.23 33.13 2fva h LYS 33 CO 0.36 0.72 -0.67 -0.51 -0.57 0.00 0.00 179.45 178.79 2fva s LEU 34 N -9.83 3.29 0.10 2.94 1.43 -1.26 -5.03 118.68 110.32 2fva s LEU 34 Ca -0.13 -0.03 -0.25 0.00 -1.03 0.00 0.00 54.13 52.69 2fva s LEU 34 Cb 0.13 -1.76 -0.12 0.00 0.03 0.00 0.00 46.19 44.47 2fva s LEU 34 CO 0.79 0.28 1.69 1.23 0.23 0.00 0.00 176.35 180.57 2fva h GLY 35 N 5.85 -0.25 -5.91 -3.19 0.00 -2.04 -3.48 103.07 94.06 2fva h GLY 35 Ca -0.42 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2fva h GLY 35 CO 0.57 -0.13 -0.52 0.00 0.00 0.00 0.00 176.54 176.46 2fva n ALA 36 N -2.33 -1.52 -1.69 3.60 0.00 -1.26 -4.69 120.51 112.62 2fva n ALA 36 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.94 2fva n ALA 36 Cb 0.16 -0.47 -0.03 0.00 0.00 0.00 0.00 19.45 19.11 2fva n ALA 36 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2fva n ASP 37 N 1.80 3.93 -3.76 0.00 -0.08 -1.26 -4.95 116.55 112.24 2fva n ASP 37 Ca 0.00 0.99 -0.08 0.00 -1.51 0.00 0.00 54.79 54.19 2fva n ASP 37 Cb 0.26 -1.52 -0.02 0.00 2.34 0.00 0.00 41.12 42.18 2fva n ASP 37 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2fva s SER 38 N 2.82 -0.15 -0.14 1.67 1.04 -1.26 -5.03 113.70 112.64 2fva s SER 38 Ca 0.83 -0.78 0.13 0.00 0.48 0.00 0.00 55.95 56.61 2fva s SER 38 Cb -0.51 0.71 0.61 0.00 0.10 0.00 0.00 66.02 66.93 2fva s SER 38 CO 0.39 -1.34 1.47 0.18 0.98 0.00 0.00 173.24 174.91 2fva n LEU 39 N -0.45 4.31 0.19 2.42 4.77 -1.26 -4.25 117.00 122.72 2fva n LEU 39 Ca -0.04 -2.18 0.14 0.00 -0.03 0.00 0.00 56.01 53.90 2fva n LEU 39 Cb 0.60 -0.58 0.61 0.00 -2.33 0.00 0.00 43.42 41.72 2fva n LEU 39 CO 0.19 0.60 0.91 0.44 -1.33 0.00 0.00 177.39 178.20 2fva h ASP 40 N 3.20 0.00 0.15 -1.43 3.32 -1.96 -2.47 116.42 117.23 2fva h ASP 40 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2fva h ASP 40 Cb 1.44 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.98 2fva h ASP 40 CO 0.29 0.00 -0.18 0.74 -1.72 0.00 0.00 179.24 178.37 2fva h THR 41 N 0.00 1.15 -0.74 0.35 2.02 -1.96 -2.01 112.91 111.72 2fva h THR 41 Ca 0.00 -0.70 -0.06 0.00 0.77 0.00 0.00 66.41 66.42 2fva h THR 41 Cb 0.31 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 2fva h THR 41 CO 0.00 0.20 0.23 1.62 0.37 0.00 0.00 175.52 177.94 2fva h VAL 42 N 0.06 1.26 -0.22 3.16 3.04 -1.79 -0.13 116.25 121.63 2fva h VAL 42 Ca 0.01 -0.91 -0.20 0.00 -1.01 0.00 0.00 66.70 64.59 2fva h VAL 42 Cb 0.35 0.44 0.01 0.00 -2.01 0.00 0.00 31.29 30.08 2fva h VAL 42 CO 0.02 0.36 -0.66 -0.08 -1.01 0.00 0.00 177.57 176.21 2fva h GLU 43 N 1.11 0.83 -0.25 4.17 4.57 -1.60 -2.86 114.58 120.54 2fva h GLU 43 Ca 0.24 -0.60 -0.04 0.00 -1.18 0.00 0.00 59.36 57.78 2fva h GLU 43 Cb 0.31 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 2fva h GLU 43 CO -0.01 1.22 -0.01 0.82 -1.18 0.00 0.00 179.01 179.85 2fva h ILE 44 N 0.59 1.26 -0.77 2.32 1.08 -1.12 -1.62 117.51 119.25 2fva h ILE 44 Ca -0.02 -0.94 -0.01 0.00 -0.39 0.00 0.00 64.86 63.51 2fva h ILE 44 Cb 1.28 1.38 -0.04 0.00 -3.07 0.00 0.00 36.82 36.37 2fva h ILE 44 CO 0.14 0.29 0.46 1.62 -0.69 0.00 0.00 178.15 179.98 2fva h VAL 45 N 0.22 1.22 -0.67 1.67 3.04 -1.10 -1.99 116.25 118.64 2fva h VAL 45 Ca 0.07 -0.49 -0.07 0.00 -1.01 0.00 0.00 66.70 65.20 2fva h VAL 45 Cb 0.44 0.15 -0.03 0.00 -2.01 0.00 0.00 31.29 29.84 2fva h VAL 45 CO 0.02 0.23 0.14 0.24 -1.01 0.00 0.00 177.57 177.19 2fva h MET 46 N 1.06 1.07 -0.70 4.17 2.86 -1.42 0.45 114.93 122.42 2fva h MET 46 Ca 0.28 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2fva h MET 46 Cb -0.03 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.46 2fva h MET 46 CO -0.05 0.96 0.45 -0.91 1.06 0.00 0.00 176.91 178.42 2fva h ASN 47 N 1.01 0.82 -0.02 1.22 4.21 -0.70 1.00 115.58 123.13 2fva h ASN 47 Ca 0.21 -0.03 -0.03 0.00 1.21 0.00 0.00 56.30 57.66 2fva h ASN 47 Cb 0.38 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 37.38 2fva h ASN 47 CO 0.01 0.61 -0.09 -0.07 -1.29 0.00 0.00 177.43 176.59 2fva h LEU 48 N 0.96 0.11 -0.99 1.61 3.38 -1.05 -0.42 115.31 118.90 2fva h LEU 48 Ca 0.26 -0.68 0.02 0.00 0.09 0.00 0.00 57.88 57.56 2fva h LEU 48 Cb -0.09 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 2fva h LEU 48 CO -0.05 0.77 0.66 -0.08 0.09 0.00 0.00 178.44 179.83 2fva h GLU 49 N -0.55 1.28 -0.16 1.13 4.81 0.07 0.35 114.58 121.51 2fva h GLU 49 Ca -0.01 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 2fva h GLU 49 Cb 0.77 -0.29 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 2fva h GLU 49 CO 0.02 0.85 -0.11 1.49 -0.73 0.00 0.00 179.01 180.53 2fva h GLU 50 N 1.32 0.36 0.60 1.92 4.57 0.10 0.65 114.58 124.12 2fva h GLU 50 Ca 0.37 -0.17 -0.03 0.00 -1.18 0.00 0.00 59.36 58.35 2fva h GLU 50 Cb -0.11 -0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.48 2fva h GLU 50 CO -0.09 0.70 -0.29 1.49 -1.18 0.00 0.00 179.01 179.64 2fva h GLU 51 N 0.03 -0.78 -0.19 1.92 4.81 -0.67 -3.12 114.58 116.57 2fva h GLU 51 Ca 0.03 0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 2fva h GLU 51 Cb 0.61 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 2fva h GLU 51 CO 0.03 -0.47 -0.17 0.74 -0.73 0.00 0.00 179.01 178.41 2fva h PHE 52 N -1.06 0.35 -1.95 0.92 0.04 -0.42 -3.47 116.94 111.34 2fva h PHE 52 Ca -0.08 -0.05 -0.04 0.00 2.80 0.00 0.00 57.97 60.60 2fva h PHE 52 Cb 0.67 -0.09 0.02 0.00 2.20 0.00 0.00 35.95 38.75 2fva h PHE 52 CO 0.00 0.48 -0.07 0.41 -0.60 0.00 0.00 178.31 178.53 2fva n GLY 53 N -0.69 0.57 0.00 -1.45 0.00 0.22 -4.94 105.19 98.90 2fva n GLY 53 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.99 0.00 -3.83 -0.61 -5.35 -0.67 -4.70 119.36 102.20 2fva n ILE 54 Ca -0.01 0.00 -0.27 0.00 -0.27 0.00 0.00 62.75 62.20 2fva n ILE 54 Cb 0.51 -0.09 -0.17 0.00 -1.74 0.00 0.00 39.64 38.16 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 0.81 2.60 -0.12 7.28 6.03 -1.26 -4.82 114.94 125.47 2fva s ASN 55 Ca 0.00 -0.59 0.01 0.00 -1.03 0.00 0.00 52.86 51.26 2fva s ASN 55 Cb 0.00 -0.74 -0.01 0.00 -3.03 0.00 0.00 41.25 37.47 2fva s ASN 55 CO 0.00 -0.22 -0.17 -0.69 -2.03 0.00 0.00 177.10 174.00 2fva s VAL 56 N 1.75 2.71 0.27 3.54 1.01 -1.26 -5.01 120.40 123.42 2fva s VAL 56 Ca 0.01 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 2fva s VAL 56 Cb -0.15 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 2fva s VAL 56 CO -0.07 0.54 0.52 -1.81 0.00 0.00 0.00 175.10 174.28 2fva s ASP 57 N 0.34 6.44 0.35 3.32 1.01 -1.26 -4.97 116.67 121.90 2fva s ASP 57 Ca -0.14 0.67 0.03 0.00 0.71 0.00 0.00 52.55 53.82 2fva s ASP 57 Cb -0.17 -2.12 0.65 0.00 1.01 0.00 0.00 42.92 42.29 2fva s ASP 57 CO 0.07 -0.16 2.01 -0.08 0.21 0.00 0.00 175.17 177.22 2fva h GLU 58 N 1.77 0.82 0.00 8.23 4.81 -2.00 0.44 114.58 128.65 2fva h GLU 58 Ca -0.48 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.70 2fva h GLU 58 Cb 1.19 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.38 2fva h GLU 58 CO 0.67 0.54 -0.04 -0.44 -0.73 0.00 0.00 179.01 179.01 2fva h ASP 59 N 0.84 0.00 0.56 1.04 3.32 -2.01 -2.55 116.42 117.63 2fva h ASP 59 Ca 0.23 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 57.00 2fva h ASP 59 Cb -0.10 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.41 2fva h ASP 59 CO -0.05 0.04 -1.60 0.50 -1.72 0.00 0.00 179.24 176.41 2fva h LYS 60 N 0.00 0.02 -1.70 3.56 1.63 -1.36 -3.37 116.57 115.35 2fva h LYS 60 Ca -0.00 -0.03 -0.68 0.00 -0.85 0.00 0.00 60.65 59.09 2fva h LYS 60 Cb 0.45 0.01 -0.35 0.00 -0.60 0.00 0.00 32.23 31.75 2fva h LYS 60 CO 0.00 0.62 0.17 0.00 -3.45 0.00 0.00 179.45 176.79 2fva n ALA 61 N -2.54 5.80 -0.01 5.00 0.00 -0.41 -4.53 120.51 123.82 2fva n ALA 61 Ca -0.15 -4.18 -0.01 0.00 0.00 0.00 0.00 53.44 49.10 2fva n ALA 61 Cb 1.03 -1.26 -0.01 0.00 0.00 0.00 0.00 19.45 19.21 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 -0.53 1.57 -2.76 0.00 10.64 -1.05 -4.85 117.38 120.39 2fva n GLN 62 Ca 0.47 0.01 -0.14 0.00 -1.83 0.00 0.00 57.00 55.51 2fva n GLN 62 Cb 0.47 -1.05 0.01 0.00 -0.86 0.00 0.00 30.24 28.82 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 -2.36 1.79 -4.69 2.61 2.03 -1.26 -5.08 116.55 109.59 2fva n ASP 63 Ca -0.04 -2.92 -0.40 0.00 0.52 0.00 0.00 54.79 51.95 2fva n ASP 63 Cb 0.55 -0.54 -0.06 0.00 -0.72 0.00 0.00 41.12 40.35 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 -3.29 5.06 0.00 5.18 -1.09 -1.26 -5.06 121.20 120.73 2fva s ILE 64 Ca 0.33 1.22 0.00 0.00 -2.23 0.00 0.00 60.65 59.97 2fva s ILE 64 Cb 0.42 -3.95 0.00 0.00 -1.58 0.00 0.00 42.46 37.35 2fva s ILE 64 CO -0.02 0.18 0.00 -1.20 -1.23 0.00 0.00 174.94 172.68 2fva n SER 65 N 4.47 -1.68 -3.17 3.58 7.64 -1.26 -4.94 113.62 118.26 2fva n SER 65 Ca -0.02 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.82 2fva n SER 65 Cb 0.50 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.74 2fva n SER 65 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2fva n THR 66 N -2.78 0.00 -0.25 0.44 5.66 -1.26 -4.43 114.28 111.65 2fva n THR 66 Ca 0.00 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.94 2fva n THR 66 Cb 0.00 -0.11 0.05 0.00 -1.55 0.00 0.00 70.33 68.72 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 -1.76 1.20 -0.86 1.09 2.04 -1.83 -2.73 117.51 114.67 2fva h ILE 67 Ca -0.05 -0.47 0.12 0.00 1.00 0.00 0.00 64.86 65.46 2fva h ILE 67 Cb 0.15 0.25 -0.13 0.00 -0.74 0.00 0.00 36.82 36.35 2fva h ILE 67 CO 0.03 0.22 -0.44 1.56 0.00 0.00 0.00 178.15 179.51 2fva h GLN 68 N 0.96 -0.07 -0.59 2.37 1.08 -1.86 0.33 115.11 117.32 2fva h GLN 68 Ca 0.25 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.36 2fva h GLN 68 Cb -0.01 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 2fva h GLN 68 CO -0.05 -0.05 0.02 0.37 -0.95 0.00 0.00 178.83 178.17 2fva h GLN 69 N -0.07 1.02 -0.91 1.46 4.15 -1.81 -2.83 115.11 116.13 2fva h GLN 69 Ca 0.26 -0.31 0.05 0.00 0.77 0.00 0.00 58.65 59.42 2fva h GLN 69 Cb 0.55 -0.10 -0.06 0.00 0.21 0.00 0.00 27.48 28.07 2fva h GLN 69 CO -0.88 0.99 0.58 0.00 -1.93 0.00 0.00 178.83 177.59 2fva h ALA 70 N 1.07 1.23 -0.52 3.38 0.00 -0.27 -0.12 119.26 124.03 2fva h ALA 70 Ca 0.17 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2fva h ALA 70 Cb 0.52 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2fva h ALA 70 CO 0.03 0.38 0.25 0.00 0.00 0.00 0.00 179.25 179.91 2fva h ALA 71 N 1.40 0.67 -0.69 0.00 0.00 -0.30 -1.44 119.26 118.90 2fva h ALA 71 Ca 0.38 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 2fva h ALA 71 Cb 0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2fva h ALA 71 CO -0.15 0.23 0.18 -0.44 0.00 0.00 0.00 179.25 179.07 2fva h ASP 72 N 0.70 1.03 -0.48 0.00 3.32 -1.13 -1.66 116.42 118.19 2fva h ASP 72 Ca 0.18 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 2fva h ASP 72 Cb 0.11 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 2fva h ASP 72 CO -0.02 0.99 0.22 0.58 -1.72 0.00 0.00 179.24 179.28 2fva h VAL 73 N 1.04 1.20 -0.59 -1.35 2.07 -0.70 -2.73 116.25 115.19 2fva h VAL 73 Ca 0.22 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 2fva h VAL 73 Cb 0.35 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 2fva h VAL 73 CO 0.00 0.22 0.29 0.40 0.02 0.00 0.00 177.57 178.51 2fva h ILE 74 N 0.64 1.21 -0.97 4.57 2.04 -1.05 -2.24 117.51 121.70 2fva h ILE 74 Ca 0.16 -0.57 0.19 0.00 1.00 0.00 0.00 64.86 65.64 2fva h ILE 74 Cb 0.15 0.49 -0.09 0.00 -0.74 0.00 0.00 36.82 36.63 2fva h ILE 74 CO -0.02 0.23 0.61 -0.33 0.00 0.00 0.00 178.15 178.65 2fva h GLU 75 N 0.81 0.65 -0.26 2.37 5.08 -1.01 0.30 114.58 122.51 2fva h GLU 75 Ca 0.20 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 2fva h GLU 75 Cb 0.10 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2fva h GLU 75 CO -0.03 0.43 -0.18 0.78 -1.00 0.00 0.00 179.01 179.01 2fva h GLY 76 N 0.67 0.50 1.76 -3.84 0.00 -1.16 -2.34 103.07 98.65 2fva h GLY 76 Ca 0.53 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.50 2fva h GLY 76 CO -0.30 0.33 -0.06 1.04 0.00 0.00 0.00 176.54 177.56 2fva n LEU 77 N -4.17 0.08 0.00 3.11 4.77 0.92 -3.02 117.00 118.68 2fva n LEU 77 Ca 0.00 0.38 0.11 0.00 -0.03 0.00 0.00 56.01 56.47 2fva n LEU 77 Cb 0.35 -0.42 0.08 0.00 -2.33 0.00 0.00 43.42 41.11 2fva n LEU 77 CO 0.41 0.02 0.22 0.18 -1.33 0.00 0.00 177.39 176.89 2fva n LEU 78 N -1.43 0.72 0.30 2.23 4.77 -0.43 -3.20 117.00 119.97 2fva n LEU 78 Ca 0.09 -0.22 -0.12 0.00 -0.03 0.00 0.00 56.01 55.72 2fva n LEU 78 Cb 0.32 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.21 2fva n LEU 78 CO 0.27 0.18 0.34 -0.33 -1.33 0.00 0.00 177.39 176.52 2fva h GLU 79 N 0.00 -0.78 0.19 3.23 5.08 -1.43 -3.29 114.58 117.57 2fva h GLU 79 Ca 0.00 0.05 -0.35 0.00 -1.00 0.00 0.00 59.36 58.07 2fva h GLU 79 Cb 0.50 0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.94 2fva h GLU 79 CO 0.00 -0.52 -1.70 1.57 -1.00 0.00 0.00 179.01 177.35 2fva h LYS 80 N -1.15 0.40 -3.71 2.33 -0.00 -1.77 -3.41 116.57 109.26 2fva h LYS 80 Ca -0.08 -0.69 -0.72 0.00 -0.00 0.00 0.00 60.65 59.16 2fva h LYS 80 Cb 0.62 0.26 -0.33 0.00 -0.00 0.00 0.00 32.23 32.78 2fva h LYS 80 CO 0.14 1.33 -0.27 0.21 -0.00 0.00 0.00 179.45 180.85 2fva s LYS 81 N -2.57 2.77 0.00 0.07 2.20 -1.20 -5.18 119.74 115.83 2fva s LYS 81 Ca -0.16 -2.46 0.32 0.00 -0.36 0.00 0.00 55.97 53.31 2fva s LYS 81 Cb 0.05 -3.89 1.84 0.00 -1.51 0.00 0.00 37.83 34.32 2fva s LYS 81 CO 0.86 -1.20 2.19 0.00 -0.36 0.00 0.00 175.35 176.84