#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pvg s SER 2 N 0.00 1.90 0.31 0.00 1.04 -1.26 -1.35 113.70 114.33 2pvg s SER 2 Ca 0.00 -0.85 0.07 0.00 0.48 0.00 0.00 55.95 55.65 2pvg s SER 2 Cb 0.00 -0.05 -0.06 0.00 0.10 0.00 0.00 66.02 66.01 2pvg s SER 2 CO 0.00 -0.19 -0.04 -0.31 0.98 0.00 0.00 173.24 173.68 2pvg s TYR 3 N -2.39 2.09 -0.31 5.02 2.02 0.44 -4.93 117.35 119.29 2pvg s TYR 3 Ca 0.10 -0.69 -0.12 0.00 -0.37 0.00 0.00 57.07 55.99 2pvg s TYR 3 Cb -0.03 -1.25 -0.03 0.00 -0.40 0.00 0.00 41.96 40.24 2pvg s TYR 3 CO 0.02 0.32 0.22 0.99 -1.57 0.00 0.00 175.55 175.53 2pvg s THR 4 N -2.94 5.29 -0.41 -0.71 2.01 -1.26 -0.72 115.64 116.90 2pvg s THR 4 Ca 0.32 -0.04 -0.12 0.00 0.31 0.00 0.00 61.69 62.16 2pvg s THR 4 Cb 0.05 -3.64 0.05 0.00 0.01 0.00 0.00 72.50 68.97 2pvg s THR 4 CO 0.14 0.10 0.26 -0.69 -0.69 0.00 0.00 174.62 173.74 2pvg s VAL 5 N 1.75 4.65 -0.85 3.82 1.01 0.09 -2.17 120.40 128.70 2pvg s VAL 5 Ca 0.07 -1.03 -0.22 0.00 0.00 0.00 0.00 61.98 60.79 2pvg s VAL 5 Cb -0.17 -3.70 0.08 0.00 0.00 0.00 0.00 36.38 32.59 2pvg s VAL 5 CO 0.11 -0.38 1.20 -0.75 0.00 0.00 0.00 175.10 175.27 2pvg s LYS 6 N 1.54 3.40 -0.04 2.72 2.20 -0.04 -1.91 119.74 127.62 2pvg s LYS 6 Ca 0.03 -1.10 -0.27 0.00 -0.36 0.00 0.00 55.97 54.26 2pvg s LYS 6 Cb -0.21 -4.74 -0.03 0.00 -1.51 0.00 0.00 37.83 31.34 2pvg s LYS 6 CO 0.06 -1.96 0.87 -0.51 -0.36 0.00 0.00 175.35 173.45 2pvg s LEU 7 N 4.15 4.34 -0.41 5.43 1.43 -0.82 -1.81 118.68 130.98 2pvg s LEU 7 Ca 0.34 1.46 -0.03 0.00 -1.03 0.00 0.00 54.13 54.87 2pvg s LEU 7 Cb -0.07 -3.38 0.11 0.00 0.03 0.00 0.00 46.19 42.88 2pvg s LEU 7 CO -0.01 -0.22 0.21 -0.63 0.23 0.00 0.00 176.35 175.93 2pvg s ILE 8 N 1.03 3.35 0.47 -0.59 1.01 0.46 -1.99 121.20 124.94 2pvg s ILE 8 Ca 0.46 -2.02 0.08 0.00 0.00 0.00 0.00 60.65 59.16 2pvg s ILE 8 Cb -0.19 -3.28 0.01 0.00 0.01 0.00 0.00 42.46 39.01 2pvg s ILE 8 CO 0.23 -0.69 0.47 0.42 0.00 0.00 0.00 174.94 175.38 2pvg s THR 9 N 1.16 2.41 0.51 2.92 -4.23 0.24 -1.38 115.64 117.27 2pvg s THR 9 Ca 0.08 -1.28 0.15 0.00 -1.18 0.00 0.00 61.69 59.46 2pvg s THR 9 Cb -0.23 -2.68 0.27 0.00 1.34 0.00 0.00 72.50 71.20 2pvg s THR 9 CO -0.04 0.00 2.14 -0.65 -0.54 0.00 0.00 174.62 175.53 2pvg h PRO 10 N 0.78 0.06 -0.00 3.99 0.11 -1.95 -0.61 132.00 134.37 2pvg h PRO 10 Ca -0.38 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2pvg h PRO 10 Cb 1.28 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2pvg h PRO 10 CO 0.53 0.04 -0.00 -0.25 -0.21 0.00 0.00 178.00 178.11 2pvg n ASP 11 N -4.53 0.43 0.00 -2.05 10.43 -1.26 -5.02 116.55 114.55 2pvg n ASP 11 Ca -0.02 -1.11 0.00 0.00 2.57 0.00 0.00 54.79 56.23 2pvg n ASP 11 Cb 0.10 -0.01 0.00 0.00 1.84 0.00 0.00 41.12 43.05 2pvg n ASP 11 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2pvg n GLY 12 N 1.06 0.57 3.95 0.44 0.00 -0.24 -5.08 105.19 105.90 2pvg n GLY 12 Ca 0.22 -2.22 -0.23 0.00 0.00 0.00 0.00 46.02 43.79 2pvg n GLY 12 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pvg s GLU 13 N -0.34 3.14 -0.30 1.61 2.12 -1.26 -0.59 118.70 123.08 2pvg s GLU 13 Ca 0.00 -0.46 -0.17 0.00 0.36 0.00 0.00 54.97 54.70 2pvg s GLU 13 Cb 0.00 -2.58 0.18 0.00 0.26 0.00 0.00 34.13 31.99 2pvg s GLU 13 CO 0.00 -0.20 1.18 -1.54 -0.54 0.00 0.00 175.26 174.16 2pvg s SER 14 N -4.19 -0.21 -0.13 -1.70 1.04 -0.84 -4.95 113.70 102.73 2pvg s SER 14 Ca 0.47 0.17 -0.15 0.00 0.48 0.00 0.00 55.95 56.93 2pvg s SER 14 Cb -0.10 1.19 -0.05 0.00 0.10 0.00 0.00 66.02 67.17 2pvg s SER 14 CO 0.38 -0.04 0.35 -0.44 0.98 0.00 0.00 173.24 174.47 2pvg s SER 15 N 2.72 6.55 0.28 7.02 0.01 -1.26 -1.95 113.70 127.06 2pvg s SER 15 Ca -0.05 0.65 0.07 0.00 1.31 0.00 0.00 55.95 57.94 2pvg s SER 15 Cb -0.07 -2.22 -0.06 0.00 0.21 0.00 0.00 66.02 63.89 2pvg s SER 15 CO -0.11 0.11 -0.08 0.27 0.41 0.00 0.00 173.24 173.84 2pvg s ILE 16 N 0.26 1.78 -0.44 1.44 -4.36 -0.80 -4.97 121.20 114.10 2pvg s ILE 16 Ca 0.20 -2.17 -0.07 0.00 -0.26 0.00 0.00 60.65 58.36 2pvg s ILE 16 Cb -0.14 -2.40 0.11 0.00 1.25 0.00 0.00 42.46 41.28 2pvg s ILE 16 CO 0.07 -0.34 0.28 -0.70 0.24 0.00 0.00 174.94 174.50 2pvg s GLU 17 N -3.69 2.28 -0.20 0.37 2.56 -1.26 -0.73 118.70 118.03 2pvg s GLU 17 Ca 0.29 -1.78 -0.10 0.00 0.00 0.00 0.00 54.97 53.38 2pvg s GLU 17 Cb 0.02 -3.78 -0.05 0.00 2.00 0.00 0.00 34.13 32.33 2pvg s GLU 17 CO 0.12 -1.14 0.12 0.00 -0.56 0.00 0.00 175.26 173.80 2pvg s SER 19 N 0.39 4.32 0.28 0.00 0.01 -1.26 -0.42 113.70 117.01 2pvg s SER 19 Ca 0.07 2.00 0.25 0.00 1.31 0.00 0.00 55.95 59.58 2pvg s SER 19 Cb -0.11 -2.55 1.00 0.00 0.21 0.00 0.00 66.02 64.57 2pvg s SER 19 CO -0.01 -2.17 1.74 -2.24 0.41 0.00 0.00 173.24 170.97 2pvg h ASP 20 N -0.89 0.00 -0.31 2.44 2.03 -1.48 -2.39 116.42 115.82 2pvg h ASP 20 Ca -0.45 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 2pvg h ASP 20 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 2pvg h ASP 20 CO 0.50 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.81 2pvg n ASP 21 N -2.32 4.21 -4.11 4.15 5.75 -1.26 -4.66 116.55 118.31 2pvg n ASP 21 Ca 0.02 -3.00 -0.25 0.00 -0.01 0.00 0.00 54.79 51.55 2pvg n ASP 21 Cb 0.26 -0.57 -0.16 0.00 -1.03 0.00 0.00 41.12 39.62 2pvg n ASP 21 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2pvg s THR 22 N -2.82 1.32 0.45 2.12 2.01 -0.90 -5.12 115.64 112.70 2pvg s THR 22 Ca 0.44 -0.65 -0.24 0.00 0.31 0.00 0.00 61.69 61.55 2pvg s THR 22 Cb 0.36 -1.14 -0.07 0.00 0.01 0.00 0.00 72.50 71.65 2pvg s THR 22 CO 0.10 0.38 1.25 -0.31 -0.69 0.00 0.00 174.62 175.36 2pvg s TYR 23 N 0.09 2.76 0.15 4.92 4.12 -1.26 -4.37 117.35 123.76 2pvg s TYR 23 Ca -0.04 1.46 -0.19 0.00 0.02 0.00 0.00 57.07 58.32 2pvg s TYR 23 Cb -0.11 -3.57 0.04 0.00 -1.52 0.00 0.00 41.96 36.80 2pvg s TYR 23 CO 0.02 -1.96 1.67 0.82 0.02 0.00 0.00 175.55 176.12 2pvg h ILE 24 N 2.06 0.62 -0.27 2.71 1.08 -0.89 -0.24 117.51 122.57 2pvg h ILE 24 Ca -0.50 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.01 2pvg h ILE 24 Cb 1.26 0.62 -0.03 0.00 -3.07 0.00 0.00 36.82 35.59 2pvg h ILE 24 CO 0.61 0.00 0.08 0.25 -0.69 0.00 0.00 178.15 178.40 2pvg h LEU 25 N -0.06 0.07 -0.13 1.44 5.85 -1.02 0.15 115.31 121.60 2pvg h LEU 25 Ca 0.15 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.93 2pvg h LEU 25 Cb 0.29 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2pvg h LEU 25 CO -0.34 0.08 -0.01 0.44 -0.34 0.00 0.00 178.44 178.27 2pvg h ASP 26 N 0.20 -0.07 -1.01 1.25 3.32 -1.69 -0.05 116.42 118.37 2pvg h ASP 26 Ca 0.12 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.24 2pvg h ASP 26 Cb 0.10 0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.65 2pvg h ASP 26 CO -0.14 -0.02 0.66 0.00 -1.72 0.00 0.00 179.24 178.02 2pvg h ALA 27 N 1.12 1.35 -0.50 3.45 0.00 -0.71 -1.28 119.26 122.69 2pvg h ALA 27 Ca 0.06 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2pvg h ALA 27 Cb 0.08 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2pvg h ALA 27 CO -0.11 0.55 0.02 0.00 0.00 0.00 0.00 179.25 179.70 2pvg h ALA 28 N 1.42 1.09 0.00 0.00 0.00 -0.01 -2.17 119.26 119.59 2pvg h ALA 28 Ca 0.40 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2pvg h ALA 28 Cb 0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2pvg h ALA 28 CO -0.13 0.58 -0.11 0.93 0.00 0.00 0.00 179.25 180.52 2pvg h GLU 29 N 0.77 0.00 0.00 0.00 5.08 0.04 -1.89 114.58 118.59 2pvg h GLU 29 Ca 0.15 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.40 2pvg h GLU 29 Cb 0.44 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2pvg h GLU 29 CO 0.02 0.11 -0.53 0.93 -1.00 0.00 0.00 179.01 178.54 2pvg h GLU 30 N 0.00 0.00 0.00 2.33 5.08 -0.64 -2.92 114.58 118.43 2pvg h GLU 30 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2pvg h GLU 30 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2pvg h GLU 30 CO 0.01 0.53 -0.09 0.00 -1.00 0.00 0.00 179.01 178.47 2pvg n ALA 31 N -2.26 2.47 -0.11 3.43 0.00 -0.97 -4.91 120.51 118.17 2pvg n ALA 31 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2pvg n ALA 31 Cb 0.70 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.73 2pvg n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pvg n GLY 32 N 1.44 0.94 3.88 0.00 0.00 -1.10 -5.09 105.19 105.26 2pvg n GLY 32 Ca 0.06 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 2pvg n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pvg s LEU 33 N 0.00 3.25 -0.64 0.99 1.43 -0.75 -5.01 118.68 117.95 2pvg s LEU 33 Ca 0.00 1.34 0.01 0.00 -1.03 0.00 0.00 54.13 54.45 2pvg s LEU 33 Cb 0.00 -4.36 0.16 0.00 0.03 0.00 0.00 46.19 42.02 2pvg s LEU 33 CO 0.00 -0.87 0.44 -0.70 0.23 0.00 0.00 176.35 175.44 2pvg s GLU 34 N -5.14 2.46 -0.03 1.70 2.56 -1.26 -4.48 118.70 114.51 2pvg s GLU 34 Ca 0.54 -2.79 -0.03 0.00 0.00 0.00 0.00 54.97 52.70 2pvg s GLU 34 Cb -0.11 -3.59 -0.04 0.00 2.00 0.00 0.00 34.13 32.39 2pvg s GLU 34 CO 0.53 -1.18 0.13 -0.51 -0.56 0.00 0.00 175.26 173.67 2pvg s LEU 35 N -0.52 4.17 0.61 2.70 1.43 -1.26 -5.10 118.68 120.71 2pvg s LEU 35 Ca 0.20 0.29 -0.16 0.00 -1.03 0.00 0.00 54.13 53.42 2pvg s LEU 35 Cb -0.18 -2.36 -0.03 0.00 0.03 0.00 0.00 46.19 43.65 2pvg s LEU 35 CO -0.05 0.30 1.09 -2.16 0.23 0.00 0.00 176.35 175.75 2pvg s PRO 36 N -1.66 3.12 0.07 1.29 0.04 -1.26 -5.06 135.00 131.54 2pvg s PRO 36 Ca 0.23 1.35 -0.27 0.00 0.04 0.00 0.00 61.00 62.35 2pvg s PRO 36 Cb -0.12 -2.00 0.09 0.00 0.04 0.00 0.00 34.50 32.51 2pvg s PRO 36 CO 0.14 -0.99 1.02 1.52 0.04 0.00 0.00 177.00 178.72 2pvg s TYR 37 N -2.28 -0.16 0.00 0.56 -0.85 -1.26 -4.14 117.35 109.22 2pvg s TYR 37 Ca 0.67 -0.06 0.00 0.00 -0.52 0.00 0.00 57.07 57.15 2pvg s TYR 37 Cb -0.19 0.59 0.00 0.00 0.38 0.00 0.00 41.96 42.74 2pvg s TYR 37 CO 0.37 -0.63 0.00 0.45 -1.52 0.00 0.00 175.55 174.22 2pvg n SER 38 N -0.41 0.00 0.08 -0.18 2.88 -1.26 -4.89 113.62 109.84 2pvg n SER 38 Ca -0.07 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.40 2pvg n SER 38 Cb 0.61 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.13 2pvg n SER 38 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2pvg n ARG 40 N -3.77 -0.93 0.00 0.00 3.00 -1.26 -4.82 116.66 108.88 2pvg n ARG 40 Ca -0.03 0.95 0.00 0.00 -0.00 0.00 0.00 57.85 58.77 2pvg n ARG 40 Cb 0.71 -5.02 0.00 0.00 0.00 0.00 0.00 32.46 28.15 2pvg n ARG 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2pvg n ALA 41 N 1.08 1.32 -1.17 5.13 0.00 -1.26 -4.85 120.51 120.75 2pvg n ALA 41 Ca -0.13 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2pvg n ALA 41 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 2pvg n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pvg n GLY 42 N 0.13 0.42 0.83 0.00 0.00 -1.26 -4.74 105.19 100.57 2pvg n GLY 42 Ca 0.00 -1.00 0.11 0.00 0.00 0.00 0.00 46.02 45.13 2pvg n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pvg n ALA 43 N 0.43 2.52 -3.03 4.61 0.00 -1.26 -0.93 120.51 122.85 2pvg n ALA 43 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.78 2pvg n ALA 43 Cb 0.11 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 18.84 2pvg n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pvg n SER 45 N -0.25 0.63 -0.33 0.00 3.41 -1.26 -4.75 113.62 111.07 2pvg n SER 45 Ca 0.00 -0.86 0.17 0.00 -0.26 0.00 0.00 58.87 57.92 2pvg n SER 45 Cb 0.00 0.19 0.40 0.00 -0.26 0.00 0.00 64.21 64.54 2pvg n SER 45 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2pvg h THR 46 N 0.14 0.62 -0.25 6.66 2.02 -1.94 0.17 112.91 120.33 2pvg h THR 46 Ca 0.00 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.98 2pvg h THR 46 Cb 0.07 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.45 2pvg h THR 46 CO 0.00 0.11 0.00 0.00 0.37 0.00 0.00 175.52 176.00 2pvg n ALA 48 N 0.74 -2.43 -3.00 0.00 0.00 0.60 -3.55 120.51 112.87 2pvg n ALA 48 Ca 0.17 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.05 2pvg n ALA 48 Cb 0.43 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 18.18 2pvg n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pvg n GLY 49 N 1.85 4.04 3.24 0.00 0.00 0.57 -2.66 105.19 112.23 2pvg n GLY 49 Ca 0.17 -1.62 -0.09 0.00 0.00 0.00 0.00 46.02 44.48 2pvg n GLY 49 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pvg s LYS 50 N -1.78 0.31 -0.51 1.61 2.20 -0.67 -1.83 119.74 119.06 2pvg s LYS 50 Ca 0.00 1.00 -0.26 0.00 -0.36 0.00 0.00 55.97 56.35 2pvg s LYS 50 Cb 0.00 0.29 0.03 0.00 -1.51 0.00 0.00 37.83 36.64 2pvg s LYS 50 CO 0.00 -0.25 1.03 0.42 -0.36 0.00 0.00 175.35 176.19 2pvg s ILE 51 N 2.55 4.29 0.02 5.43 1.01 0.11 -0.79 121.20 133.83 2pvg s ILE 51 Ca -0.02 0.76 -0.05 0.00 0.00 0.00 0.00 60.65 61.35 2pvg s ILE 51 Cb -0.12 -4.56 -0.29 0.00 0.01 0.00 0.00 42.46 37.50 2pvg s ILE 51 CO -0.12 -1.06 0.93 0.74 0.00 0.00 0.00 174.94 175.44 2pvg h THR 52 N 6.12 1.24 -3.56 2.92 2.02 -1.34 -3.46 112.91 116.85 2pvg h THR 52 Ca -0.25 -2.85 -0.17 0.00 0.77 0.00 0.00 66.41 63.92 2pvg h THR 52 Cb 1.07 2.83 -0.23 0.00 -1.74 0.00 0.00 68.15 70.08 2pvg h THR 52 CO 1.10 0.84 -0.56 0.00 0.37 0.00 0.00 175.52 177.27 2pvg s ALA 53 N -2.62 -0.24 0.00 6.16 0.00 -1.10 -4.97 121.76 118.99 2pvg s ALA 53 Ca -0.08 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.85 2pvg s ALA 53 Cb 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.18 2pvg s ALA 53 CO 0.87 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.90 2pvg n GLY 54 N 2.09 -1.81 3.16 0.00 0.00 -1.26 0.84 105.19 108.22 2pvg n GLY 54 Ca -0.19 -1.73 -0.09 0.00 0.00 0.00 0.00 46.02 44.01 2pvg n GLY 54 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pvg s SER 55 N -4.00 0.14 0.04 1.61 1.04 -1.26 -4.94 113.70 106.33 2pvg s SER 55 Ca 0.00 -0.56 -0.01 0.00 0.48 0.00 0.00 55.95 55.86 2pvg s SER 55 Cb 0.00 0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.37 2pvg s SER 55 CO 0.00 -0.61 -0.01 0.68 0.98 0.00 0.00 173.24 174.28 2pvg s VAL 56 N -3.13 0.18 -0.36 5.02 -7.23 -1.26 -1.81 120.40 111.80 2pvg s VAL 56 Ca -0.01 -1.47 -0.07 0.00 -1.81 0.00 0.00 61.98 58.63 2pvg s VAL 56 Cb 0.02 -1.09 0.05 0.00 0.56 0.00 0.00 36.38 35.91 2pvg s VAL 56 CO -0.07 -0.81 0.15 -0.62 -0.31 0.00 0.00 175.10 173.44 2pvg s ASP 57 N -2.42 5.42 -0.22 4.85 2.15 0.37 -4.79 116.67 122.03 2pvg s ASP 57 Ca -0.01 -1.26 0.12 0.00 0.43 0.00 0.00 52.55 51.83 2pvg s ASP 57 Cb 0.02 -1.91 0.44 0.00 -0.30 0.00 0.00 42.92 41.17 2pvg s ASP 57 CO -0.07 -0.39 1.20 0.00 -0.17 0.00 0.00 175.17 175.74 2pvg n GLN 58 N 4.84 2.07 0.07 4.34 10.64 -1.26 0.41 117.38 138.49 2pvg n GLN 58 Ca -0.11 -3.46 0.21 0.00 -1.83 0.00 0.00 57.00 51.81 2pvg n GLN 58 Cb 0.44 -1.66 0.74 0.00 -0.86 0.00 0.00 30.24 28.90 2pvg n GLN 58 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2pvg h SER 59 N 1.46 0.00 0.83 2.61 4.64 -1.91 0.44 113.55 121.62 2pvg h SER 59 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2pvg h SER 59 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2pvg h SER 59 CO 0.26 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.69 2pvg n ASP 60 N -3.73 0.20 -4.83 4.97 8.00 -1.26 -4.85 116.55 115.06 2pvg n ASP 60 Ca 0.08 0.53 -0.31 0.00 0.71 0.00 0.00 54.79 55.80 2pvg n ASP 60 Cb 0.65 -0.58 0.03 0.00 -0.02 0.00 0.00 41.12 41.20 2pvg n ASP 60 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pvg s GLN 61 N -3.06 3.16 0.00 -1.24 1.03 0.14 -4.81 119.66 114.89 2pvg s GLN 61 Ca 0.09 0.95 0.00 0.00 0.04 0.00 0.00 55.36 56.44 2pvg s GLN 61 Cb 0.13 -2.02 0.00 0.00 0.03 0.00 0.00 33.01 31.15 2pvg s GLN 61 CO 0.42 -0.92 0.00 -1.13 -2.54 0.00 0.00 175.29 171.12 2pvg n SER 62 N -2.84 0.00 0.06 12.60 3.41 -0.11 -4.95 113.62 121.79 2pvg n SER 62 Ca 0.07 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.60 2pvg n SER 62 Cb 0.54 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.43 2pvg n SER 62 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2pvg h PHE 63 N 0.00 -0.23 -3.96 7.33 3.57 -1.61 -3.46 116.94 118.58 2pvg h PHE 63 Ca 0.00 -0.01 -0.54 0.00 3.53 0.00 0.00 57.97 60.95 2pvg h PHE 63 Cb 0.00 0.08 0.11 0.00 2.79 0.00 0.00 35.95 38.93 2pvg h PHE 63 CO 0.00 0.08 0.77 -0.51 -2.23 0.00 0.00 178.31 176.43 2pvg s LEU 64 N -8.87 4.28 0.43 0.59 1.43 -1.26 -5.03 118.68 110.25 2pvg s LEU 64 Ca -0.09 3.05 0.07 0.00 -1.03 0.00 0.00 54.13 56.13 2pvg s LEU 64 Cb 0.00 -3.71 0.01 0.00 0.03 0.00 0.00 46.19 42.52 2pvg s LEU 64 CO 0.32 -0.94 0.59 1.51 0.23 0.00 0.00 176.35 178.06 2pvg s ASP 65 N -0.19 5.63 0.10 2.29 1.47 -1.26 -4.88 116.67 119.84 2pvg s ASP 65 Ca 0.54 -0.33 -0.24 0.00 1.18 0.00 0.00 52.55 53.70 2pvg s ASP 65 Cb -0.46 -0.75 -0.07 0.00 -0.34 0.00 0.00 42.92 41.30 2pvg s ASP 65 CO 0.63 -0.79 1.40 0.44 0.68 0.00 0.00 175.17 177.53 2pvg h ASP 66 N 0.58 -1.43 -0.85 2.11 3.32 -1.98 0.15 116.42 118.32 2pvg h ASP 66 Ca -0.41 0.20 0.20 0.00 0.02 0.00 0.00 57.03 57.03 2pvg h ASP 66 Cb 1.28 0.60 -0.15 0.00 0.22 0.00 0.00 39.33 41.28 2pvg h ASP 66 CO 0.47 -0.26 -0.06 0.44 -1.72 0.00 0.00 179.24 178.11 2pvg h ASP 67 N -0.21 -0.53 0.07 6.45 5.19 -1.99 0.37 116.42 125.77 2pvg h ASP 67 Ca 0.07 0.24 -0.12 0.00 -0.62 0.00 0.00 57.03 56.60 2pvg h ASP 67 Cb 0.39 0.44 -0.01 0.00 0.18 0.00 0.00 39.33 40.34 2pvg h ASP 67 CO -0.51 -0.26 -0.39 1.56 -3.12 0.00 0.00 179.24 176.52 2pvg h GLN 68 N 0.05 0.43 -0.46 3.56 4.20 -1.64 -1.95 115.11 119.30 2pvg h GLN 68 Ca 0.46 -0.21 -0.12 0.00 0.06 0.00 0.00 58.65 58.84 2pvg h GLN 68 Cb 0.81 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.57 2pvg h GLN 68 CO -0.80 0.76 -0.18 0.82 -0.67 0.00 0.00 178.83 178.76 2pvg h ILE 69 N 0.36 1.27 0.00 2.54 1.08 0.23 -2.80 117.51 120.19 2pvg h ILE 69 Ca 0.03 -1.31 -0.11 0.00 -0.39 0.00 0.00 64.86 63.08 2pvg h ILE 69 Cb 0.85 1.10 -0.02 0.00 -3.07 0.00 0.00 36.82 35.69 2pvg h ILE 69 CO 0.07 0.45 -0.55 -0.08 -0.69 0.00 0.00 178.15 177.35 2pvg h GLU 70 N 0.79 0.00 -0.18 2.37 4.57 -0.38 -3.00 114.58 118.74 2pvg h GLU 70 Ca 0.11 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.23 2pvg h GLU 70 Cb 0.72 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.29 2pvg h GLU 70 CO 0.06 0.55 -0.19 0.00 -1.18 0.00 0.00 179.01 178.25 2pvg h ALA 71 N 1.45 1.35 0.00 2.92 0.00 -1.11 -3.47 119.26 120.41 2pvg h ALA 71 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2pvg h ALA 71 Cb 0.97 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2pvg h ALA 71 CO 0.07 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.18 2pvg n GLY 72 N -0.66 1.29 3.80 0.00 0.00 -1.13 -4.95 105.19 103.54 2pvg n GLY 72 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2pvg n GLY 72 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pvg s TYR 73 N -1.87 3.61 0.06 1.61 1.51 -1.09 0.09 117.35 121.27 2pvg s TYR 73 Ca 0.00 1.57 -0.05 0.00 -1.01 0.00 0.00 57.07 57.58 2pvg s TYR 73 Cb 0.00 -2.77 -0.02 0.00 -0.11 0.00 0.00 41.96 39.06 2pvg s TYR 73 CO 0.00 0.22 0.08 0.14 -1.11 0.00 0.00 175.55 174.88 2pvg s VAL 74 N -1.66 0.16 -0.58 0.71 -7.23 -0.76 -4.63 120.40 106.41 2pvg s VAL 74 Ca 0.49 -1.33 -0.13 0.00 -1.81 0.00 0.00 61.98 59.20 2pvg s VAL 74 Cb -0.16 -1.19 0.15 0.00 0.56 0.00 0.00 36.38 35.73 2pvg s VAL 74 CO 0.21 -0.73 0.51 -0.76 -0.31 0.00 0.00 175.10 174.02 2pvg s LEU 75 N -2.55 6.13 0.62 1.32 1.43 -1.26 -0.32 118.68 124.05 2pvg s LEU 75 Ca 0.01 -2.03 0.28 0.00 -1.03 0.00 0.00 54.13 51.36 2pvg s LEU 75 Cb 0.03 -2.14 1.49 0.00 0.03 0.00 0.00 46.19 45.60 2pvg s LEU 75 CO -0.08 -0.74 1.88 0.71 0.23 0.00 0.00 176.35 178.34 2pvg h THR 76 N 5.72 0.21 0.00 5.49 1.35 -1.91 -1.34 112.91 122.43 2pvg h THR 76 Ca -0.19 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 2pvg h THR 76 Cb 1.08 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 2pvg h THR 76 CO 0.93 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.20 2pvg n VAL 78 N -2.75 0.66 -3.55 0.00 0.24 -0.56 -4.81 118.33 107.57 2pvg n VAL 78 Ca 0.02 -0.78 -0.37 0.00 -2.04 0.00 0.00 64.34 61.18 2pvg n VAL 78 Cb 0.35 0.36 -0.07 0.00 -1.47 0.00 0.00 33.84 33.01 2pvg n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2pvg s ALA 79 N -0.96 3.61 -0.13 2.33 0.00 -0.86 -4.43 121.76 121.33 2pvg s ALA 79 Ca 0.09 -0.43 -0.04 0.00 0.00 0.00 0.00 51.96 51.58 2pvg s ALA 79 Cb 0.08 -2.37 -0.03 0.00 0.00 0.00 0.00 23.12 20.79 2pvg s ALA 79 CO 0.01 0.16 0.02 0.71 0.00 0.00 0.00 175.76 176.66 2pvg s TYR 80 N 0.23 3.19 -0.06 0.00 4.12 0.17 -0.71 117.35 124.29 2pvg s TYR 80 Ca 0.17 0.08 -0.30 0.00 0.02 0.00 0.00 57.07 57.05 2pvg s TYR 80 Cb -0.13 -1.92 -0.04 0.00 -1.52 0.00 0.00 41.96 38.34 2pvg s TYR 80 CO 0.05 0.29 1.41 -1.25 0.02 0.00 0.00 175.55 176.08 2pvg s PRO 81 N -0.26 4.25 0.00 -1.71 0.04 -1.26 0.14 135.00 136.19 2pvg s PRO 81 Ca 0.07 1.92 0.26 0.00 0.04 0.00 0.00 61.00 63.29 2pvg s PRO 81 Cb -0.12 -3.72 0.60 0.00 0.04 0.00 0.00 34.50 31.29 2pvg s PRO 81 CO 0.02 -0.67 1.47 2.41 0.04 0.00 0.00 177.00 180.27 2pvg n THR 82 N 5.04 0.00 0.00 1.26 -1.04 -0.75 -4.65 114.28 114.15 2pvg n THR 82 Ca 0.14 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 2pvg n THR 82 Cb 0.44 0.63 0.00 0.00 -1.82 0.00 0.00 70.33 69.58 2pvg n THR 82 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2pvg n SER 83 N -0.38 0.00 -4.72 8.00 3.41 -1.22 -4.93 113.62 113.78 2pvg n SER 83 Ca 0.12 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.31 2pvg n SER 83 Cb 0.38 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.31 2pvg n SER 83 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2pvg n ASP 84 N 0.00 3.60 -3.86 4.04 10.43 -1.26 -4.53 116.55 124.97 2pvg n ASP 84 Ca 0.00 1.13 -0.10 0.00 2.57 0.00 0.00 54.79 58.40 2pvg n ASP 84 Cb 0.00 -1.55 -0.06 0.00 1.84 0.00 0.00 41.12 41.35 2pvg n ASP 84 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2pvg s THR 86 N -3.92 1.62 -0.03 0.00 2.01 0.25 -0.86 115.64 114.71 2pvg s THR 86 Ca 0.13 -0.67 0.06 0.00 0.31 0.00 0.00 61.69 61.51 2pvg s THR 86 Cb 0.02 -1.51 -0.01 0.00 0.01 0.00 0.00 72.50 71.01 2pvg s THR 86 CO -0.03 0.47 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.54 2pvg s ILE 87 N 1.39 1.59 -0.21 1.82 1.01 -0.75 -0.90 121.20 125.15 2pvg s ILE 87 Ca 0.03 -0.84 -0.13 0.00 0.00 0.00 0.00 60.65 59.72 2pvg s ILE 87 Cb -0.13 -1.34 -0.05 0.00 0.01 0.00 0.00 42.46 40.96 2pvg s ILE 87 CO -0.10 0.45 0.25 -1.61 0.00 0.00 0.00 174.94 173.94 2pvg s GLU 88 N -0.27 4.16 0.61 2.79 2.02 0.03 -0.41 118.70 127.63 2pvg s GLU 88 Ca 0.03 -0.05 0.02 0.00 0.02 0.00 0.00 54.97 54.98 2pvg s GLU 88 Cb -0.10 -3.50 0.07 0.00 0.10 0.00 0.00 34.13 30.70 2pvg s GLU 88 CO 0.01 0.10 0.85 0.95 0.02 0.00 0.00 175.26 177.18 2pvg s THR 89 N 0.93 2.44 -1.18 3.63 -4.23 -0.48 -1.67 115.64 115.08 2pvg s THR 89 Ca 0.13 -0.68 -0.15 0.00 -1.18 0.00 0.00 61.69 59.81 2pvg s THR 89 Cb -0.13 -2.76 -0.01 0.00 1.34 0.00 0.00 72.50 70.94 2pvg s THR 89 CO 0.05 0.00 0.75 1.41 -0.54 0.00 0.00 174.62 176.29 2pvg n HIS 90 N -2.50 -1.92 -0.05 3.99 8.25 -1.25 -4.75 115.22 116.99 2pvg n HIS 90 Ca 0.11 0.56 0.02 0.00 -0.26 0.00 0.00 57.72 58.15 2pvg n HIS 90 Cb 0.60 -3.63 0.05 0.00 1.12 0.00 0.00 29.99 28.13 2pvg n HIS 90 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2pvg n LYS 91 N -4.14 2.79 -0.25 -0.41 4.76 -1.09 -4.72 118.16 115.09 2pvg n LYS 91 Ca -0.14 -1.66 0.05 0.00 -2.87 0.00 0.00 58.31 53.69 2pvg n LYS 91 Cb 0.61 -1.10 0.18 0.00 -1.84 0.00 0.00 35.03 32.89 2pvg n LYS 91 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 2pvg h GLU 92 N 0.75 0.43 -0.24 1.97 4.81 -1.81 -2.01 114.58 118.48 2pvg h GLU 92 Ca 0.00 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.26 2pvg h GLU 92 Cb 0.56 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.78 2pvg h GLU 92 CO 0.00 0.28 -0.17 0.93 -0.73 0.00 0.00 179.01 179.32 2pvg h GLU 93 N 0.44 -0.15 0.00 1.92 5.08 -1.94 -0.39 114.58 119.54 2pvg h GLU 93 Ca 0.41 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 2pvg h GLU 93 Cb 0.61 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2pvg h GLU 93 CO -0.40 -0.10 0.00 -0.25 -1.00 0.00 0.00 179.01 177.26 2pvg n ASP 94 N -5.33 0.11 0.27 1.42 10.43 -0.78 -3.58 116.55 119.08 2pvg n ASP 94 Ca -0.01 0.54 -0.10 0.00 2.57 0.00 0.00 54.79 57.78 2pvg n ASP 94 Cb 0.24 -0.55 -0.05 0.00 1.84 0.00 0.00 41.12 42.60 2pvg n ASP 94 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 2pvg h LEU 95 N 0.00 -0.58 -0.49 0.64 6.46 -0.77 -3.53 115.31 117.04 2pvg h LEU 95 Ca 0.00 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 2pvg h LEU 95 Cb 0.15 0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.23 2pvg h LEU 95 CO 0.00 -0.41 0.00 -1.22 -0.62 0.00 0.00 178.44 176.19