#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cvi s VAL 2 N 0.00 2.86 -0.12 1.12 1.01 -0.16 -0.82 120.40 124.29 2cvi s VAL 2 Ca 0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 2cvi s VAL 2 Cb 0.00 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 2cvi s VAL 2 CO 0.00 0.53 -0.07 -0.89 0.00 0.00 0.00 175.10 174.67 2cvi s THR 3 N 0.39 3.61 -0.07 3.92 2.01 -0.23 -1.21 115.64 124.05 2cvi s THR 3 Ca -0.12 -0.48 0.04 0.00 0.31 0.00 0.00 61.69 61.44 2cvi s THR 3 Cb -0.16 -2.53 0.00 0.00 0.01 0.00 0.00 72.50 69.82 2cvi s THR 3 CO 0.06 0.54 -0.19 0.00 -0.69 0.00 0.00 174.62 174.34 2cvi s ALA 4 N -0.04 1.74 -0.29 7.40 0.00 0.42 -0.61 121.76 130.39 2cvi s ALA 4 Ca -0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 51.96 51.14 2cvi s ALA 4 Cb -0.13 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 2cvi s ALA 4 CO 0.03 0.24 0.10 -0.06 0.00 0.00 0.00 175.76 176.07 2cvi s PHE 5 N 0.35 3.14 -0.23 0.00 0.08 0.84 -0.77 117.98 121.39 2cvi s PHE 5 Ca -0.13 -0.69 -0.04 0.00 0.12 0.00 0.00 56.93 56.18 2cvi s PHE 5 Cb -0.16 -2.29 -0.01 0.00 -0.57 0.00 0.00 43.02 40.00 2cvi s PHE 5 CO 0.06 -0.48 -0.03 0.42 -0.10 0.00 0.00 175.22 175.09 2cvi s ILE 6 N 1.57 3.48 0.15 0.64 1.01 0.29 -1.42 121.20 126.92 2cvi s ILE 6 Ca 0.04 -0.49 -0.22 0.00 0.00 0.00 0.00 60.65 59.98 2cvi s ILE 6 Cb -0.17 -2.61 -0.08 0.00 0.01 0.00 0.00 42.46 39.62 2cvi s ILE 6 CO 0.04 0.39 0.70 -0.76 0.00 0.00 0.00 174.94 175.31 2cvi s LEU 7 N 1.49 4.52 0.01 2.97 1.02 -0.03 -0.87 118.68 127.79 2cvi s LEU 7 Ca 0.05 1.47 -0.01 0.00 0.02 0.00 0.00 54.13 55.67 2cvi s LEU 7 Cb -0.15 -3.24 -0.01 0.00 0.02 0.00 0.00 46.19 42.81 2cvi s LEU 7 CO -0.02 0.19 0.01 -0.04 0.02 0.00 0.00 176.35 176.50 2cvi s MET 8 N -1.33 0.24 -0.12 1.70 -1.94 0.05 -1.35 119.30 116.55 2cvi s MET 8 Ca 0.35 -0.38 -0.01 0.00 -1.71 0.00 0.00 55.69 53.94 2cvi s MET 8 Cb -0.21 0.09 -0.02 0.00 2.01 0.00 0.00 34.83 36.70 2cvi s MET 8 CO 0.23 -0.04 -0.07 0.08 -0.01 0.00 0.00 175.02 175.20 2cvi s VAL 9 N -0.99 3.59 0.45 -6.03 1.01 -0.17 -0.21 120.40 118.05 2cvi s VAL 9 Ca -0.11 -0.48 0.06 0.00 0.00 0.00 0.00 61.98 61.45 2cvi s VAL 9 Cb -0.07 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 2cvi s VAL 9 CO -0.00 0.53 0.13 0.42 0.00 0.00 0.00 175.10 176.17 2cvi s THR 10 N 0.04 1.91 0.63 3.92 -4.23 -1.26 -0.48 115.64 116.18 2cvi s THR 10 Ca -0.02 -1.81 -0.17 0.00 -1.18 0.00 0.00 61.69 58.52 2cvi s THR 10 Cb -0.14 -2.72 -0.01 0.00 1.34 0.00 0.00 72.50 70.97 2cvi s THR 10 CO 0.03 0.00 1.15 0.00 -0.54 0.00 0.00 174.62 175.26 2cvi s ALA 11 N -2.71 2.47 0.16 3.99 0.00 -0.23 -4.83 121.76 120.62 2cvi s ALA 11 Ca 0.31 0.76 -0.34 0.00 0.00 0.00 0.00 51.96 52.70 2cvi s ALA 11 Cb 0.04 -3.38 -0.14 0.00 0.00 0.00 0.00 23.12 19.64 2cvi s ALA 11 CO 0.17 -1.26 1.53 0.00 0.00 0.00 0.00 175.76 176.21 2cvi n ALA 12 N -2.07 1.12 -0.91 0.00 0.00 -1.26 -1.77 120.51 115.63 2cvi n ALA 12 Ca 0.12 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2cvi n ALA 12 Cb 0.51 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.64 2cvi n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cvi n GLY 13 N 3.18 0.92 1.23 0.00 0.00 -1.26 -4.87 105.19 104.40 2cvi n GLY 13 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 2cvi n GLY 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2cvi n LYS 14 N -2.00 2.67 0.01 1.61 4.76 -0.73 -4.65 118.16 119.83 2cvi n LYS 14 Ca 0.00 -2.51 -0.10 0.00 -2.87 0.00 0.00 58.31 52.82 2cvi n LYS 14 Cb 0.00 -1.52 -0.05 0.00 -1.84 0.00 0.00 35.03 31.62 2cvi n LYS 14 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2cvi h GLU 15 N 4.09 -0.02 -0.29 1.97 3.07 -1.90 -0.35 114.58 121.15 2cvi h GLU 15 Ca 0.00 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.74 2cvi h GLU 15 Cb 0.96 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.86 2cvi h GLU 15 CO 0.00 -0.02 -0.33 -0.09 -1.40 0.00 0.00 179.01 177.17 2cvi h ARG 16 N -0.02 0.64 -0.24 2.33 2.43 -1.98 -0.73 114.38 116.80 2cvi h ARG 16 Ca 0.05 -0.29 0.02 0.00 -0.81 0.00 0.00 59.98 58.94 2cvi h ARG 16 Cb 0.09 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 2cvi h ARG 16 CO -0.10 0.88 0.12 1.49 -1.51 0.00 0.00 179.97 180.85 2cvi h GLU 17 N 0.54 0.24 -0.46 0.20 4.81 -1.79 -0.38 114.58 117.74 2cvi h GLU 17 Ca 0.06 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2cvi h GLU 17 Cb 0.83 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 2cvi h GLU 17 CO 0.07 0.16 0.15 0.28 -0.73 0.00 0.00 179.01 178.94 2cvi h VAL 18 N 0.25 1.22 -0.29 0.32 2.07 -0.89 -1.12 116.25 117.81 2cvi h VAL 18 Ca 0.10 -0.72 0.06 0.00 0.82 0.00 0.00 66.70 66.96 2cvi h VAL 18 Cb 0.03 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 2cvi h VAL 18 CO -0.07 0.26 -0.06 -0.03 0.02 0.00 0.00 177.57 177.69 2cvi h MET 19 N 0.60 0.01 -0.10 1.57 1.85 -0.68 -0.34 114.93 117.84 2cvi h MET 19 Ca 0.15 -0.00 -0.18 0.00 -0.61 0.00 0.00 59.70 59.06 2cvi h MET 19 Cb 0.25 -0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.27 2cvi h MET 19 CO -0.01 0.01 -0.70 0.93 -0.40 0.00 0.00 176.91 176.75 2cvi h GLU 20 N 0.01 0.46 -0.78 0.39 4.39 -0.97 -0.98 114.58 117.09 2cvi h GLU 20 Ca 0.14 -0.35 -0.03 0.00 0.34 0.00 0.00 59.36 59.45 2cvi h GLU 20 Cb 0.21 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.89 2cvi h GLU 20 CO -0.28 0.98 0.36 0.87 -1.16 0.00 0.00 179.01 179.78 2cvi h LYS 21 N 0.32 1.12 -0.28 2.33 1.57 -1.01 -1.78 116.57 118.84 2cvi h LYS 21 Ca -0.02 -0.17 -0.14 0.00 -1.87 0.00 0.00 60.65 58.44 2cvi h LYS 21 Cb 1.27 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.38 2cvi h LYS 21 CO 0.12 0.88 -0.39 -0.07 -0.57 0.00 0.00 179.45 179.42 2cvi h LEU 22 N 1.11 0.83 -2.14 2.94 3.38 -0.92 -3.09 115.31 117.42 2cvi h LEU 22 Ca 0.27 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 2cvi h LEU 22 Cb 0.14 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2cvi h LEU 22 CO -0.03 1.17 -0.07 -0.07 0.09 0.00 0.00 178.44 179.53 2cvi h LEU 23 N 0.51 0.00 -0.52 1.67 3.38 -0.95 -0.16 115.31 119.24 2cvi h LEU 23 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2cvi h LEU 23 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2cvi h LEU 23 CO 0.09 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.69 2cvi n ALA 24 N -2.23 1.70 -2.30 1.53 0.00 -0.69 -4.72 120.51 113.81 2cvi n ALA 24 Ca -0.02 0.05 -0.39 0.00 0.00 0.00 0.00 53.44 53.08 2cvi n ALA 24 Cb 0.19 -1.36 -0.06 0.00 0.00 0.00 0.00 19.45 18.22 2cvi n ALA 24 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2cvi s MET 25 N -3.24 4.43 0.53 0.00 -1.94 -0.07 -4.97 119.30 114.03 2cvi s MET 25 Ca 0.05 0.96 0.24 0.00 -1.71 0.00 0.00 55.69 55.23 2cvi s MET 25 Cb 0.10 -3.32 1.45 0.00 2.01 0.00 0.00 34.83 35.07 2cvi s MET 25 CO 0.38 0.42 2.12 -1.00 -0.01 0.00 0.00 175.02 176.93 2cvi h PRO 26 N 5.17 0.00 0.00 2.03 0.13 -1.85 -2.40 132.00 135.08 2cvi h PRO 26 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2cvi h PRO 26 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2cvi h PRO 26 CO 0.68 0.09 0.00 0.93 -0.23 0.00 0.00 178.00 179.47 2cvi h GLU 27 N 0.00 0.00 -5.62 0.86 3.07 -1.91 -3.42 114.58 107.56 2cvi h GLU 27 Ca -0.00 0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 58.24 2cvi h GLU 27 Cb 0.19 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 27.98 2cvi h GLU 27 CO 0.01 0.00 0.25 0.08 -1.40 0.00 0.00 179.01 177.95 2cvi s VAL 28 N -3.44 4.81 -0.12 3.13 1.01 -0.90 -1.23 120.40 123.66 2cvi s VAL 28 Ca 0.04 0.70 0.09 0.00 0.00 0.00 0.00 61.98 62.81 2cvi s VAL 28 Cb 0.07 -4.14 -0.23 0.00 0.00 0.00 0.00 36.38 32.07 2cvi s VAL 28 CO 0.60 -0.38 0.35 0.29 0.00 0.00 0.00 175.10 175.96 2cvi n LYS 29 N 6.23 0.67 -3.84 2.72 4.76 -0.01 -4.82 118.16 123.88 2cvi n LYS 29 Ca 0.01 0.20 -0.10 0.00 -2.87 0.00 0.00 58.31 55.54 2cvi n LYS 29 Cb 0.48 -1.68 -0.08 0.00 -1.84 0.00 0.00 35.03 31.92 2cvi n LYS 29 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2cvi s GLU 30 N -2.55 0.72 -0.21 1.97 2.02 -1.18 -5.02 118.70 114.45 2cvi s GLU 30 Ca -0.13 -0.65 -0.23 0.00 0.02 0.00 0.00 54.97 53.97 2cvi s GLU 30 Cb 0.07 0.30 0.06 0.00 0.10 0.00 0.00 34.13 34.66 2cvi s GLU 30 CO 0.79 -0.21 0.64 0.00 0.02 0.00 0.00 175.26 176.50 2cvi s ALA 31 N -2.70 -1.60 -0.03 5.21 0.00 -1.26 -1.16 121.76 120.23 2cvi s ALA 31 Ca -0.04 1.70 0.00 0.00 0.00 0.00 0.00 51.96 53.62 2cvi s ALA 31 Cb -0.00 -0.86 0.02 0.00 0.00 0.00 0.00 23.12 22.28 2cvi s ALA 31 CO -0.05 -0.31 0.00 0.71 0.00 0.00 0.00 175.76 176.11 2cvi s TYR 32 N 0.06 0.27 0.04 0.00 2.02 -0.15 -5.01 117.35 114.58 2cvi s TYR 32 Ca -0.02 0.01 -0.24 0.00 -0.37 0.00 0.00 57.07 56.45 2cvi s TYR 32 Cb -0.04 -0.36 -0.05 0.00 -0.40 0.00 0.00 41.96 41.11 2cvi s TYR 32 CO 0.02 -0.11 0.74 0.08 -1.57 0.00 0.00 175.55 174.71 2cvi s VAL 33 N 0.91 4.76 0.17 0.71 1.01 -1.26 -1.24 120.40 125.46 2cvi s VAL 33 Ca -0.09 1.57 0.04 0.00 0.00 0.00 0.00 61.98 63.50 2cvi s VAL 33 Cb -0.12 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 2cvi s VAL 33 CO -0.02 0.37 -0.07 0.68 0.00 0.00 0.00 175.10 176.06 2cvi s VAL 34 N -0.07 1.13 -0.25 2.92 -7.23 0.22 -4.96 120.40 112.16 2cvi s VAL 34 Ca 0.37 -2.06 -0.06 0.00 -1.81 0.00 0.00 61.98 58.43 2cvi s VAL 34 Cb -0.20 -2.00 -0.01 0.00 0.56 0.00 0.00 36.38 34.73 2cvi s VAL 34 CO 0.22 -0.62 0.02 -0.47 -0.31 0.00 0.00 175.10 173.95 2cvi s TYR 35 N -3.35 3.06 -3.79 2.82 5.04 -1.26 -4.54 117.35 115.32 2cvi s TYR 35 Ca 0.20 -0.85 0.00 0.00 -2.44 0.00 0.00 57.07 53.98 2cvi s TYR 35 Cb 0.03 -2.18 0.00 0.00 0.35 0.00 0.00 41.96 40.16 2cvi s TYR 35 CO 0.03 -0.52 0.00 0.41 -1.34 0.00 0.00 175.55 174.13 2cvi n GLY 36 N 4.84 -0.53 0.23 8.97 0.00 -1.26 -4.97 105.19 112.46 2cvi n GLY 36 Ca -0.16 -0.84 0.10 0.00 0.00 0.00 0.00 46.02 45.11 2cvi n GLY 36 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2cvi h GLU 37 N 0.00 0.00 -5.73 1.61 4.39 -2.01 -3.44 114.58 109.40 2cvi h GLU 37 Ca 0.00 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.10 2cvi h GLU 37 Cb 0.00 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.55 2cvi h GLU 37 CO 0.00 0.23 -0.52 0.71 -1.16 0.00 0.00 179.01 178.27 2cvi s TYR 38 N -3.82 2.41 -0.13 4.33 2.02 -1.26 -5.00 117.35 115.89 2cvi s TYR 38 Ca -0.01 -0.68 0.14 0.00 -0.37 0.00 0.00 57.07 56.15 2cvi s TYR 38 Cb 0.11 -1.85 -0.24 0.00 -0.40 0.00 0.00 41.96 39.58 2cvi s TYR 38 CO 0.63 0.23 0.32 -0.25 -1.57 0.00 0.00 175.55 174.91 2cvi n ASP 39 N -1.19 0.54 -3.97 2.29 8.00 0.71 -4.53 116.55 118.40 2cvi n ASP 39 Ca -0.05 0.18 -0.08 0.00 0.71 0.00 0.00 54.79 55.55 2cvi n ASP 39 Cb 0.66 0.41 -0.09 0.00 -0.02 0.00 0.00 41.12 42.08 2cvi n ASP 39 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2cvi s LEU 40 N -5.85 1.96 -0.07 0.64 1.02 -0.60 -0.61 118.68 115.18 2cvi s LEU 40 Ca -0.09 -0.74 0.01 0.00 0.02 0.00 0.00 54.13 53.33 2cvi s LEU 40 Cb 0.07 0.57 0.02 0.00 0.02 0.00 0.00 46.19 46.86 2cvi s LEU 40 CO 0.82 -0.60 -0.09 -0.51 0.02 0.00 0.00 176.35 175.99 2cvi s ILE 41 N -3.41 0.93 -0.04 -0.59 2.07 -0.37 -0.77 121.20 119.01 2cvi s ILE 41 Ca 0.02 -0.33 0.05 0.00 -1.41 0.00 0.00 60.65 58.98 2cvi s ILE 41 Cb 0.04 -0.89 -0.01 0.00 0.13 0.00 0.00 42.46 41.73 2cvi s ILE 41 CO -0.08 0.32 -0.19 -0.69 -1.91 0.00 0.00 174.94 172.39 2cvi s VAL 42 N 0.96 1.55 -0.23 4.00 1.01 -0.05 -0.98 120.40 126.66 2cvi s VAL 42 Ca -0.10 -0.79 -0.06 0.00 0.00 0.00 0.00 61.98 61.04 2cvi s VAL 42 Cb -0.15 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 2cvi s VAL 42 CO 0.00 0.44 0.04 -0.75 0.00 0.00 0.00 175.10 174.83 2cvi s LYS 43 N -0.04 3.63 0.01 2.72 2.20 -0.30 -0.55 119.74 127.42 2cvi s LYS 43 Ca -0.03 -0.50 0.08 0.00 -0.36 0.00 0.00 55.97 55.16 2cvi s LYS 43 Cb -0.12 -3.21 -0.02 0.00 -1.51 0.00 0.00 37.83 32.97 2cvi s LYS 43 CO 0.02 -0.10 -0.24 0.08 -0.36 0.00 0.00 175.35 174.75 2cvi s VAL 44 N 1.33 1.96 -0.03 4.02 1.01 0.05 -0.83 120.40 127.90 2cvi s VAL 44 Ca 0.05 -1.19 0.02 0.00 0.00 0.00 0.00 61.98 60.86 2cvi s VAL 44 Cb -0.15 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.59 2cvi s VAL 44 CO 0.02 0.43 -0.08 -1.61 0.00 0.00 0.00 175.10 173.86 2cvi s GLU 45 N -0.90 0.99 0.13 2.72 2.02 -0.36 -0.43 118.70 122.86 2cvi s GLU 45 Ca 0.10 -0.27 0.01 0.00 0.02 0.00 0.00 54.97 54.84 2cvi s GLU 45 Cb -0.09 -0.92 -0.04 0.00 0.10 0.00 0.00 34.13 33.17 2cvi s GLU 45 CO 0.01 0.06 -0.02 0.95 0.02 0.00 0.00 175.26 176.27 2cvi s THR 46 N 0.40 0.63 0.14 3.63 -4.23 -0.35 -4.70 115.64 111.16 2cvi s THR 46 Ca -0.06 -1.95 -0.11 0.00 -1.18 0.00 0.00 61.69 58.38 2cvi s THR 46 Cb -0.10 -1.91 -0.06 0.00 1.34 0.00 0.00 72.50 71.76 2cvi s THR 46 CO 0.01 -0.66 1.44 0.44 -0.54 0.00 0.00 174.62 175.31 2cvi h ASP 47 N 2.84 0.99 -4.46 3.99 3.32 -1.96 -0.41 116.42 120.73 2cvi h ASP 47 Ca -0.36 -0.49 -0.29 0.00 0.02 0.00 0.00 57.03 55.90 2cvi h ASP 47 Cb 1.19 -0.28 -0.15 0.00 0.22 0.00 0.00 39.33 40.31 2cvi h ASP 47 CO 0.63 1.29 -0.66 0.42 -1.72 0.00 0.00 179.24 179.20 2cvi s THR 48 N -4.27 0.71 0.24 0.35 -4.23 -1.26 -3.91 115.64 103.27 2cvi s THR 48 Ca -0.11 -1.99 -0.05 0.00 -1.18 0.00 0.00 61.69 58.36 2cvi s THR 48 Cb 0.11 -2.13 0.15 0.00 1.34 0.00 0.00 72.50 71.97 2cvi s THR 48 CO 0.89 -0.47 1.79 0.25 -0.54 0.00 0.00 174.62 176.54 2cvi h LEU 49 N 2.68 0.99 -0.69 4.79 5.85 -1.97 -1.91 115.31 125.04 2cvi h LEU 49 Ca -0.37 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.21 2cvi h LEU 49 Cb 1.21 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.94 2cvi h LEU 49 CO 0.63 0.91 0.44 0.50 -0.34 0.00 0.00 178.44 180.57 2cvi h LYS 50 N 1.03 0.84 -0.70 1.25 3.64 -1.99 -0.73 116.57 119.90 2cvi h LYS 50 Ca 0.23 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.52 2cvi h LYS 50 Cb 0.26 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 2cvi h LYS 50 CO -0.01 0.56 0.30 -0.44 -2.27 0.00 0.00 179.45 177.58 2cvi h ASP 51 N 0.87 0.94 -0.19 4.20 3.32 -1.85 -1.62 116.42 122.09 2cvi h ASP 51 Ca 0.27 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 2cvi h ASP 51 Cb -0.01 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.30 2cvi h ASP 51 CO -0.10 0.83 -0.16 0.25 -1.72 0.00 0.00 179.24 178.34 2cvi h LEU 52 N 1.01 0.47 -1.30 1.55 5.85 -0.76 -1.16 115.31 120.98 2cvi h LEU 52 Ca 0.24 -0.46 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 2cvi h LEU 52 Cb 0.17 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 2cvi h LEU 52 CO -0.02 0.83 0.15 -0.78 -0.34 0.00 0.00 178.44 178.28 2cvi h ASP 53 N 0.12 0.58 -0.53 1.25 3.58 -0.99 -0.21 116.42 120.21 2cvi h ASP 53 Ca 0.04 -0.07 -0.12 0.00 0.42 0.00 0.00 57.03 57.29 2cvi h ASP 53 Cb 0.68 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.57 2cvi h ASP 53 CO 0.04 0.54 -0.14 -0.61 -2.88 0.00 0.00 179.24 176.20 2cvi h GLN 54 N 0.63 1.04 -0.39 0.28 4.15 -1.16 -0.84 115.11 118.81 2cvi h GLN 54 Ca 0.15 -0.40 -0.00 0.00 0.77 0.00 0.00 58.65 59.16 2cvi h GLN 54 Cb 0.17 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 2cvi h GLN 54 CO -0.01 1.09 0.23 0.35 -1.93 0.00 0.00 178.83 178.56 2cvi h PHE 55 N 0.91 0.52 -0.57 3.99 3.57 -0.13 -0.15 116.94 125.09 2cvi h PHE 55 Ca 0.13 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 2cvi h PHE 55 Cb 0.72 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 2cvi h PHE 55 CO 0.05 0.39 0.10 0.82 -2.23 0.00 0.00 178.31 177.44 2cvi h ILE 56 N 0.51 1.25 -0.27 1.41 2.04 -0.97 -0.33 117.51 121.16 2cvi h ILE 56 Ca 0.14 -0.95 -0.04 0.00 1.00 0.00 0.00 64.86 65.00 2cvi h ILE 56 Cb 0.02 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 2cvi h ILE 56 CO -0.02 0.35 -0.00 0.74 0.00 0.00 0.00 178.15 179.21 2cvi h THR 57 N 0.83 1.26 0.00 -0.27 2.02 -0.85 0.65 112.91 116.55 2cvi h THR 57 Ca 0.17 -0.93 -0.18 0.00 0.77 0.00 0.00 66.41 66.25 2cvi h THR 57 Cb 0.40 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 2cvi h THR 57 CO 0.01 0.29 -1.42 -0.33 0.37 0.00 0.00 175.52 174.44 2cvi h GLU 58 N 0.25 0.00 0.00 6.66 4.39 -1.05 -3.38 114.58 121.46 2cvi h GLU 58 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2cvi h GLU 58 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2cvi h GLU 58 CO 0.01 0.32 -0.01 1.63 -1.16 0.00 0.00 179.01 179.80 2cvi n LYS 59 N -2.92 0.01 0.13 2.33 4.76 -0.15 -4.42 118.16 117.90 2cvi n LYS 59 Ca -0.10 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.21 2cvi n LYS 59 Cb 0.86 -0.46 -0.06 0.00 -1.84 0.00 0.00 35.03 33.53 2cvi n LYS 59 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2cvi h ILE 60 N -0.01 0.38 0.00 -0.18 1.08 -1.38 -2.13 117.51 115.26 2cvi h ILE 60 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2cvi h ILE 60 Cb 0.01 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 34.14 2cvi h ILE 60 CO 0.00 0.00 0.00 0.54 -0.69 0.00 0.00 178.15 178.00 2cvi n ARG 61 N -5.40 0.08 -0.29 2.37 1.74 0.21 -2.18 116.66 113.18 2cvi n ARG 61 Ca -0.07 0.45 0.08 0.00 -0.77 0.00 0.00 57.85 57.54 2cvi n ARG 61 Cb 0.31 -1.70 0.24 0.00 -1.02 0.00 0.00 32.46 30.29 2cvi n ARG 61 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2cvi n LYS 62 N -1.85 2.89 -3.35 5.56 5.02 -0.82 -4.79 118.16 120.81 2cvi n LYS 62 Ca 0.01 -2.38 -0.46 0.00 -2.02 0.00 0.00 58.31 53.47 2cvi n LYS 62 Cb 0.11 -1.45 -0.04 0.00 -0.02 0.00 0.00 35.03 33.62 2cvi n LYS 62 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2cvi s MET 63 N -1.13 3.15 0.57 1.97 1.75 -0.93 -4.95 119.30 119.73 2cvi s MET 63 Ca 0.36 -2.02 0.33 0.00 -1.25 0.00 0.00 55.69 53.12 2cvi s MET 63 Cb 0.19 -4.29 1.82 0.00 2.84 0.00 0.00 34.83 35.40 2cvi s MET 63 CO 0.23 -1.30 2.02 -1.00 -0.65 0.00 0.00 175.02 174.32 2cvi h PRO 64 N 8.38 0.00 0.00 4.11 0.13 -1.86 -1.66 132.00 141.10 2cvi h PRO 64 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2cvi h PRO 64 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2cvi h PRO 64 CO 0.91 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.61 2cvi h GLU 65 N 0.00 0.00 -5.33 0.86 3.07 -1.94 -3.40 114.58 107.83 2cvi h GLU 65 Ca 0.00 0.00 -0.64 0.00 -0.50 0.00 0.00 59.36 58.22 2cvi h GLU 65 Cb 0.24 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 28.00 2cvi h GLU 65 CO 0.00 0.00 0.02 0.42 -1.40 0.00 0.00 179.01 178.05 2cvi s ILE 66 N -3.74 4.98 -0.18 3.13 1.01 -0.62 -1.06 121.20 124.71 2cvi s ILE 66 Ca 0.00 0.48 0.18 0.00 0.00 0.00 0.00 60.65 61.31 2cvi s ILE 66 Cb 0.09 -3.99 -0.26 0.00 0.01 0.00 0.00 42.46 38.32 2cvi s ILE 66 CO 0.52 -0.22 0.11 0.00 0.00 0.00 0.00 174.94 175.36 2cvi n GLN 67 N 5.82 0.70 -3.82 2.79 6.02 0.37 -4.93 117.38 124.34 2cvi n GLN 67 Ca -0.03 -0.03 -0.12 0.00 -0.01 0.00 0.00 57.00 56.81 2cvi n GLN 67 Cb 0.49 -1.52 -0.10 0.00 1.02 0.00 0.00 30.24 30.13 2cvi n GLN 67 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2cvi s MET 68 N -2.59 0.47 0.05 -1.09 -1.94 -1.09 -4.96 119.30 108.15 2cvi s MET 68 Ca -0.10 -0.15 -0.01 0.00 -1.71 0.00 0.00 55.69 53.71 2cvi s MET 68 Cb 0.07 0.21 -0.04 0.00 2.01 0.00 0.00 34.83 37.08 2cvi s MET 68 CO 0.83 -0.11 -0.02 0.95 -0.01 0.00 0.00 175.02 176.66 2cvi s THR 69 N -0.97 0.21 -0.12 2.05 -4.23 -1.26 -1.00 115.64 110.32 2cvi s THR 69 Ca -0.10 -1.73 -0.04 0.00 -1.18 0.00 0.00 61.69 58.64 2cvi s THR 69 Cb -0.05 -1.44 0.06 0.00 1.34 0.00 0.00 72.50 72.41 2cvi s THR 69 CO 0.02 -0.95 0.15 -0.55 -0.54 0.00 0.00 174.62 172.75 2cvi s SER 70 N -2.83 1.21 -0.13 3.99 0.15 -0.45 -4.97 113.70 110.67 2cvi s SER 70 Ca 0.06 0.02 -0.04 0.00 0.70 0.00 0.00 55.95 56.68 2cvi s SER 70 Cb 0.07 0.16 -0.03 0.00 -1.71 0.00 0.00 66.02 64.50 2cvi s SER 70 CO -0.09 -0.28 0.02 -0.89 1.20 0.00 0.00 173.24 173.20 2cvi s THR 71 N 2.26 4.47 -0.07 6.45 2.01 -1.26 -0.85 115.64 128.65 2cvi s THR 71 Ca 0.04 -0.17 0.03 0.00 0.31 0.00 0.00 61.69 61.90 2cvi s THR 71 Cb -0.13 -2.94 0.01 0.00 0.01 0.00 0.00 72.50 69.44 2cvi s THR 71 CO -0.07 0.54 -0.16 -0.04 -0.69 0.00 0.00 174.62 174.20 2cvi s MET 72 N -0.29 2.08 0.06 4.92 -1.94 -0.51 -4.99 119.30 118.63 2cvi s MET 72 Ca 0.07 -0.55 0.09 0.00 -1.71 0.00 0.00 55.69 53.59 2cvi s MET 72 Cb -0.12 -1.66 -0.03 0.00 2.01 0.00 0.00 34.83 35.03 2cvi s MET 72 CO 0.02 0.08 -0.25 0.96 -0.01 0.00 0.00 175.02 175.81 2cvi s ILE 73 N 0.54 2.25 -0.11 2.53 -4.36 -1.26 -0.11 121.20 120.67 2cvi s ILE 73 Ca -0.15 -1.45 0.02 0.00 -0.26 0.00 0.00 60.65 58.81 2cvi s ILE 73 Cb -0.16 -1.91 0.02 0.00 1.25 0.00 0.00 42.46 41.65 2cvi s ILE 73 CO 0.05 0.30 -0.15 0.00 0.24 0.00 0.00 174.94 175.39 2cvi s ALA 74 N -0.88 1.69 -0.24 2.27 0.00 0.22 -5.00 121.76 119.83 2cvi s ALA 74 Ca 0.13 -0.73 -0.06 0.00 0.00 0.00 0.00 51.96 51.29 2cvi s ALA 74 Cb -0.10 -0.84 -0.02 0.00 0.00 0.00 0.00 23.12 22.15 2cvi s ALA 74 CO 0.03 -0.10 0.04 0.42 0.00 0.00 0.00 175.76 176.16 2cvi s ILE 75 N 1.02 4.08 -0.35 0.00 1.01 -1.26 -1.07 121.20 124.62 2cvi s ILE 75 Ca -0.06 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.35 2cvi s ILE 75 Cb -0.15 -2.89 0.10 0.00 0.01 0.00 0.00 42.46 39.53 2cvi s ILE 75 CO -0.02 0.36 0.08 -0.22 0.00 0.00 0.00 174.94 175.15 2cvi s LEU 76 N 1.54 4.74 -0.08 2.97 2.96 0.00 -5.00 118.68 125.81 2cvi s LEU 76 Ca 0.06 -1.97 -0.01 0.00 -0.22 0.00 0.00 54.13 51.99 2cvi s LEU 76 Cb -0.15 -1.70 0.03 0.00 0.50 0.00 0.00 46.19 44.87 2cvi s LEU 76 CO 0.02 -0.41 -0.02 -1.61 -1.32 0.00 0.00 176.35 173.01 2cvi s GLU 77 N 1.03 0.88 0.00 1.98 2.02 -1.26 -0.52 118.70 122.82 2cvi s GLU 77 Ca 0.07 0.00 0.26 0.00 0.02 0.00 0.00 54.97 55.32 2cvi s GLU 77 Cb -0.20 -1.16 0.67 0.00 0.10 0.00 0.00 34.13 33.54 2cvi s GLU 77 CO -0.06 -0.29 1.52 0.72 0.02 0.00 0.00 175.26 177.16 2cvi n HIS 78 N 5.09 0.00 -2.70 1.61 8.25 -1.26 -4.15 115.22 122.05 2cvi n HIS 78 Ca -0.09 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.31 2cvi n HIS 78 Cb 0.50 -0.19 0.04 0.00 1.12 0.00 0.00 29.99 31.46 2cvi n HIS 78 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2cvi n HIS 79 N -1.07 1.42 -0.14 4.41 8.25 -1.26 -4.93 115.22 121.90 2cvi n HIS 79 Ca 0.09 -2.42 0.19 0.00 -0.26 0.00 0.00 57.72 55.32 2cvi n HIS 79 Cb 0.34 -0.28 0.58 0.00 1.12 0.00 0.00 29.99 31.75 2cvi n HIS 79 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2cvi h HIS 80 N 2.72 0.31 -0.70 4.41 2.76 -2.00 -1.38 115.15 121.27 2cvi h HIS 80 Ca -0.07 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 2cvi h HIS 80 Cb 1.24 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 30.10 2cvi h HIS 80 CO 0.54 0.11 0.00 0.72 -1.30 0.00 0.00 177.93 177.99 2cvi n HIS 81 N -4.43 1.16 -3.13 5.26 8.25 -1.26 -4.81 115.22 116.26 2cvi n HIS 81 Ca 0.15 -0.52 -0.45 0.00 -0.26 0.00 0.00 57.72 56.63 2cvi n HIS 81 Cb 0.64 -0.09 -0.02 0.00 1.12 0.00 0.00 29.99 31.64 2cvi n HIS 81 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2cvi s HIS 82 N -1.33 3.41 0.00 4.41 3.76 -0.52 -5.28 115.29 119.73 2cvi s HIS 82 Ca 0.49 -1.63 0.00 0.00 -0.15 0.00 0.00 55.06 53.77 2cvi s HIS 82 Cb 0.28 -4.04 0.00 0.00 1.11 0.00 0.00 32.58 29.93 2cvi s HIS 82 CO 0.30 -1.24 0.39 -2.39 -0.85 0.00 0.00 174.74 170.95