#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vfi s SER 2 N 0.00 4.91 0.00 9.51 0.15 -1.26 -5.01 113.70 122.00 1vfi s SER 2 Ca 0.00 -2.06 0.00 0.00 0.70 0.00 0.00 55.95 54.59 1vfi s SER 2 Cb 0.00 -1.69 0.00 0.00 -1.71 0.00 0.00 66.02 62.62 1vfi s SER 2 CO 0.00 -0.42 0.00 -0.62 1.20 0.00 0.00 173.24 173.40 1vfi n GLU 3 N 4.38 0.00 -3.25 5.44 1.02 -1.26 -5.06 120.64 121.90 1vfi n GLU 3 Ca 0.01 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 1vfi n GLU 3 Cb 0.42 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.85 1vfi n GLU 3 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1vfi n PHE 4 N 0.00 -0.96 -3.79 -0.32 3.72 -1.26 -5.00 117.46 109.85 1vfi n PHE 4 Ca 0.00 0.41 -0.09 0.00 -0.05 0.00 0.00 57.45 57.71 1vfi n PHE 4 Cb 0.00 -1.24 -0.04 0.00 -0.94 0.00 0.00 39.48 37.26 1vfi n PHE 4 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1vfi s ALA 5 N -1.14 -0.78 0.72 4.37 0.00 -1.26 -5.17 121.76 118.50 1vfi s ALA 5 Ca 0.14 -0.35 -0.11 0.00 0.00 0.00 0.00 51.96 51.64 1vfi s ALA 5 Cb -0.01 0.87 0.02 0.00 0.00 0.00 0.00 23.12 23.99 1vfi s ALA 5 CO 0.32 -0.79 1.07 -1.25 0.00 0.00 0.00 175.76 175.10 1vfi s PRO 6 N -3.90 2.72 0.64 0.00 0.04 -1.26 -5.02 135.00 128.22 1vfi s PRO 6 Ca 0.11 0.88 -0.15 0.00 0.04 0.00 0.00 61.00 61.88 1vfi s PRO 6 Cb -0.01 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 1vfi s PRO 6 CO -0.01 -1.23 1.09 0.08 0.04 0.00 0.00 177.00 176.97 1vfi s VAL 7 N -3.07 3.42 -0.06 -0.36 1.01 -1.12 -4.98 120.40 115.24 1vfi s VAL 7 Ca 0.59 0.66 0.00 0.00 0.00 0.00 0.00 61.98 63.23 1vfi s VAL 7 Cb -0.14 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1vfi s VAL 7 CO 0.55 -0.41 -0.06 -0.67 0.00 0.00 0.00 175.10 174.51 1vfi n ASP 8 N -2.31 3.36 0.00 3.32 2.03 -1.26 -4.43 116.55 117.25 1vfi n ASP 8 Ca 0.10 -0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.38 1vfi n ASP 8 Cb 0.52 -0.10 0.00 0.00 -0.72 0.00 0.00 41.12 40.82 1vfi n ASP 8 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1vfi n LYS 10 N 0.00 -0.09 0.10 0.00 4.81 -1.26 0.89 118.16 122.62 1vfi n LYS 10 Ca 0.00 1.54 -0.12 0.00 -0.87 0.00 0.00 58.31 58.86 1vfi n LYS 10 Cb 0.00 -2.32 -0.08 0.00 0.02 0.00 0.00 35.03 32.65 1vfi n LYS 10 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1vfi h GLY 11 N 0.00 -0.31 0.32 3.14 0.00 -2.00 -2.98 103.07 101.25 1vfi h GLY 11 Ca 0.50 0.11 0.18 0.00 0.00 0.00 0.00 47.33 48.12 1vfi h GLY 11 CO -1.01 -0.11 0.66 1.46 0.00 0.00 0.00 176.54 177.55 1vfi h GLN 12 N -0.78 0.00 -2.55 4.80 1.08 -1.08 -1.43 115.11 115.16 1vfi h GLN 12 Ca -0.03 0.00 -0.72 0.00 -1.45 0.00 0.00 58.65 56.45 1vfi h GLN 12 Cb 0.51 0.00 -0.13 0.00 -0.05 0.00 0.00 27.48 27.80 1vfi h GLN 12 CO 0.05 0.00 2.19 0.00 -0.95 0.00 0.00 178.83 180.12 1vfi n THR 14 N 1.57 1.58 -0.05 0.00 -1.04 -0.54 -2.91 114.28 112.89 1vfi n THR 14 Ca 0.61 -0.73 -0.13 0.00 -2.04 0.00 0.00 64.05 61.76 1vfi n THR 14 Cb 0.27 -1.17 -0.08 0.00 -1.82 0.00 0.00 70.33 67.54 1vfi n THR 14 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1vfi h THR 15 N 0.02 1.36 0.00 12.58 2.02 -1.86 0.72 112.91 127.75 1vfi h THR 15 Ca -0.45 -1.31 -0.04 0.00 0.77 0.00 0.00 66.41 65.38 1vfi h THR 15 Cb 2.05 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 70.39 1vfi h THR 15 CO 0.04 0.38 -0.21 1.55 0.37 0.00 0.00 175.52 177.64 1vfi h PRO 16 N -0.08 0.00 -0.28 6.66 0.13 -1.89 -2.88 132.00 133.65 1vfi h PRO 16 Ca 0.02 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.06 1vfi h PRO 16 Cb 0.67 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.75 1vfi h PRO 16 CO 0.03 0.21 -0.04 0.00 -0.23 0.00 0.00 178.00 177.97 1vfi h GLU 18 N 1.21 -0.02 -0.03 0.00 4.81 0.70 -2.66 114.58 118.60 1vfi h GLU 18 Ca 0.11 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.13 1vfi h GLU 18 Cb 1.51 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.89 1vfi h GLU 18 CO 0.28 0.78 -0.86 -1.00 -0.73 0.00 0.00 179.01 177.48 1vfi h PRO 19 N -0.89 0.41 0.67 0.92 0.13 -1.82 -3.01 132.00 128.41 1vfi h PRO 19 Ca -0.00 -0.40 -0.03 0.00 -0.87 0.00 0.00 66.00 64.70 1vfi h PRO 19 Cb 0.80 0.10 0.01 0.00 0.13 0.00 0.00 31.00 32.04 1vfi h PRO 19 CO 0.00 1.06 -0.32 1.25 -0.23 0.00 0.00 178.00 179.75 1vfi h LEU 20 N 0.25 -0.77 -0.75 1.56 5.85 -1.81 -1.39 115.31 118.26 1vfi h LEU 20 Ca -0.06 0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.80 1vfi h LEU 20 Cb 1.48 0.20 -0.13 0.00 0.37 0.00 0.00 40.66 42.58 1vfi h LEU 20 CO 0.15 -0.54 -0.39 0.74 -0.34 0.00 0.00 178.44 178.06 1vfi h THR 21 N -0.92 0.08 -0.95 1.05 2.02 -1.58 1.49 112.91 114.10 1vfi h THR 21 Ca -0.09 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.31 1vfi h THR 21 Cb 0.69 0.08 -0.07 0.00 -1.74 0.00 0.00 68.15 67.11 1vfi h THR 21 CO 0.15 0.00 0.63 0.00 0.37 0.00 0.00 175.52 176.67 1vfi h ALA 22 N 1.00 2.26 0.39 6.16 0.00 -1.46 0.73 119.26 128.35 1vfi h ALA 22 Ca 0.25 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1vfi h ALA 22 Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1vfi h ALA 22 CO -0.80 -0.58 -0.19 0.00 0.00 0.00 0.00 179.25 177.68 1vfi h LYS 24 N -0.91 0.20 0.07 0.00 1.57 0.13 -0.00 116.57 117.63 1vfi h LYS 24 Ca -0.05 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1vfi h LYS 24 Cb 0.55 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 1vfi h LYS 24 CO 0.09 0.13 -0.06 0.93 -0.57 0.00 0.00 179.45 179.97 1vfi h GLU 25 N 0.21 -0.13 -1.00 3.15 4.39 0.41 0.92 114.58 122.53 1vfi h GLU 25 Ca 0.26 0.01 0.41 0.00 0.34 0.00 0.00 59.36 60.38 1vfi h GLU 25 Cb 0.37 0.03 -0.18 0.00 -0.10 0.00 0.00 28.75 28.87 1vfi h GLU 25 CO -0.36 -0.09 0.51 1.17 -1.16 0.00 0.00 179.01 179.09 1vfi n LYS 26 N -2.62 -0.06 0.32 2.33 4.81 0.01 0.59 118.16 123.53 1vfi n LYS 26 Ca -0.02 1.38 -0.13 0.00 -0.87 0.00 0.00 58.31 58.68 1vfi n LYS 26 Cb 0.06 -2.47 -0.06 0.00 0.02 0.00 0.00 35.03 32.58 1vfi n LYS 26 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1vfi h ALA 28 N -1.27 -0.03 -0.33 0.00 0.00 0.64 1.61 119.26 119.88 1vfi h ALA 28 Ca -0.09 0.23 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1vfi h ALA 28 Cb 0.65 1.10 -0.08 0.00 0.00 0.00 0.00 17.79 19.46 1vfi h ALA 28 CO 0.14 -0.71 -0.23 0.93 0.00 0.00 0.00 179.25 179.38 1vfi h GLU 29 N -0.01 -0.19 -0.03 0.00 4.39 -0.65 0.25 114.58 118.33 1vfi h GLU 29 Ca 0.30 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.97 1vfi h GLU 29 Cb 0.55 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1vfi h GLU 29 CO -0.97 -0.13 -0.15 0.77 -1.16 0.00 0.00 179.01 177.38 1vfi h SER 30 N -0.20 0.05 -1.43 1.42 0.02 0.82 -2.17 113.55 112.06 1vfi h SER 30 Ca 0.17 -0.01 -0.65 0.00 -0.84 0.00 0.00 61.79 60.46 1vfi h SER 30 Cb 0.46 -0.01 -0.24 0.00 0.14 0.00 0.00 62.40 62.74 1vfi h SER 30 CO -0.44 0.21 0.81 0.00 -1.14 0.00 0.00 176.83 176.26 1vfi h GLU 32 N 2.65 0.24 -0.83 0.00 4.39 -0.69 -3.30 114.58 117.04 1vfi h GLU 32 Ca 0.51 -0.23 -0.57 0.00 0.34 0.00 0.00 59.36 59.42 1vfi h GLU 32 Cb 0.43 0.06 -0.33 0.00 -0.10 0.00 0.00 28.75 28.81 1vfi h GLU 32 CO 1.28 0.92 0.08 0.25 -1.16 0.00 0.00 179.01 180.38 1vfi n THR 33 N -4.47 3.06 -2.68 1.13 -2.24 -1.26 -5.02 114.28 102.80 1vfi n THR 33 Ca -0.09 -3.40 -0.38 0.00 -2.27 0.00 0.00 64.05 57.91 1vfi n THR 33 Cb 0.51 -1.04 -0.06 0.00 -2.10 0.00 0.00 70.33 67.65 1vfi n THR 33 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1vfi s SER 34 N -2.60 7.22 0.21 3.42 1.04 -1.25 -4.95 113.70 116.80 1vfi s SER 34 Ca 0.57 1.95 -0.07 0.00 0.48 0.00 0.00 55.95 58.88 1vfi s SER 34 Cb 0.46 -2.59 0.17 0.00 0.10 0.00 0.00 66.02 64.16 1vfi s SER 34 CO 0.02 -0.16 1.72 0.00 0.98 0.00 0.00 173.24 175.80 1vfi h ALA 35 N 3.19 0.98 -2.61 5.32 0.00 -1.95 -3.35 119.26 120.84 1vfi h ALA 35 Ca -0.47 -0.26 -0.59 0.00 0.00 0.00 0.00 54.91 53.59 1vfi h ALA 35 Cb 1.20 -0.25 -0.39 0.00 0.00 0.00 0.00 17.79 18.35 1vfi h ALA 35 CO 0.65 0.65 -0.86 -0.51 0.00 0.00 0.00 179.25 179.18 1vfi s ASP 36 N -6.51 2.59 0.23 0.00 1.01 -1.26 -4.99 116.67 107.73 1vfi s ASP 36 Ca -0.11 -2.86 -0.18 0.00 0.71 0.00 0.00 52.55 50.11 1vfi s ASP 36 Cb 0.15 -0.67 0.23 0.00 1.01 0.00 0.00 42.92 43.64 1vfi s ASP 36 CO 0.84 -0.21 1.56 0.11 0.21 0.00 0.00 175.17 177.67 1vfi h LYS 37 N 6.15 -0.02 -0.43 8.23 1.57 -1.89 0.46 116.57 130.64 1vfi h LYS 37 Ca 0.15 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.98 1vfi h LYS 37 Cb 0.91 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.15 1vfi h LYS 37 CO 0.40 -0.01 -0.50 -0.22 -0.57 0.00 0.00 179.45 178.55 1vfi h LYS 38 N -0.02 -0.29 0.37 3.15 1.63 -1.96 1.16 116.57 120.61 1vfi h LYS 38 Ca 0.34 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 60.15 1vfi h LYS 38 Cb 0.59 0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.26 1vfi h LYS 38 CO -0.95 -0.20 -0.49 1.15 -3.45 0.00 0.00 179.45 175.51 1vfi h THR 39 N -0.30 0.00 -0.16 1.00 2.02 -0.97 0.34 112.91 114.83 1vfi h THR 39 Ca 0.07 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.27 1vfi h THR 39 Cb 0.50 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 1vfi h THR 39 CO -0.57 0.00 -0.19 0.00 0.37 0.00 0.00 175.52 175.13 1vfi h ARG 41 N -0.11 -0.12 -0.18 0.00 3.08 0.15 0.92 114.38 118.12 1vfi h ARG 41 Ca 0.03 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.14 1vfi h ARG 41 Cb 0.19 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.20 1vfi h ARG 41 CO -0.21 -0.08 -0.27 0.00 -1.07 0.00 0.00 179.97 178.33 1vfi h ARG 42 N -0.12 -0.31 -0.58 0.04 3.08 0.99 1.02 114.38 118.50 1vfi h ARG 42 Ca 0.21 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.36 1vfi h ARG 42 Cb 0.53 0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.58 1vfi h ARG 42 CO -0.83 -0.20 0.21 -0.91 -1.07 0.00 0.00 179.97 177.17 1vfi h ASN 43 N -0.32 0.21 -0.02 7.04 2.35 0.37 0.35 115.58 125.56 1vfi h ASN 43 Ca 0.11 0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.90 1vfi h ASN 43 Cb 0.49 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 1vfi h ASN 43 CO -0.36 0.13 -0.08 0.00 -1.65 0.00 0.00 177.43 175.47 1vfi h LYS 45 N 0.24 0.00 0.00 0.00 3.64 0.51 0.40 116.57 121.37 1vfi h LYS 45 Ca 0.05 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.30 1vfi h LYS 45 Cb 0.31 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1vfi h LYS 45 CO 0.02 0.02 -1.39 1.17 -2.27 0.00 0.00 179.45 177.00 1vfi n LYS 46 N -3.28 0.62 0.02 1.90 3.00 0.17 -2.07 118.16 118.53 1vfi n LYS 46 Ca -0.02 0.17 -0.14 0.00 -0.00 0.00 0.00 58.31 58.32 1vfi n LYS 46 Cb 0.15 -1.79 -0.09 0.00 0.00 0.00 0.00 35.03 33.30 1vfi n LYS 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1vfi h ALA 47 N 1.57 -0.89 0.00 3.14 0.00 -0.18 -3.40 119.26 119.50 1vfi h ALA 47 Ca -0.13 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.51 1vfi h ALA 47 Cb 1.45 0.94 -0.14 0.00 0.00 0.00 0.00 17.79 20.04 1vfi h ALA 47 CO 0.03 -1.05 -0.26 -3.47 0.00 0.00 0.00 179.25 174.51 1vfi n ASP 48 N -5.17 -1.76 -0.52 0.00 2.03 -1.22 -4.92 116.55 104.98 1vfi n ASP 48 Ca -0.06 -2.31 0.01 0.00 0.52 0.00 0.00 54.79 52.95 1vfi n ASP 48 Cb 0.35 1.00 0.02 0.00 -0.72 0.00 0.00 41.12 41.77 1vfi n ASP 48 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1vfi h GLU 50 N 0.07 -0.00 0.00 0.00 5.08 -1.74 -1.82 114.58 116.16 1vfi h GLU 50 Ca -0.01 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1vfi h GLU 50 Cb 1.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 1vfi h GLU 50 CO 0.01 0.88 -0.25 -1.00 -1.00 0.00 0.00 179.01 177.64 1vfi h PRO 51 N -0.91 0.00 0.00 2.33 0.13 -1.90 -2.49 132.00 129.17 1vfi h PRO 51 Ca -0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1vfi h PRO 51 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1vfi h PRO 51 CO 0.00 0.25 -0.00 1.96 -0.23 0.00 0.00 178.00 179.98 1vfi h GLN 52 N 0.00 -0.01 -0.57 0.86 4.20 -1.87 -2.47 115.11 115.25 1vfi h GLN 52 Ca -0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1vfi h GLN 52 Cb 0.95 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.70 1vfi h GLN 52 CO 0.03 0.81 0.38 0.22 -0.67 0.00 0.00 178.83 179.60 1vfi h ASP 53 N -0.84 0.63 0.71 1.46 3.58 -1.36 -1.39 116.42 119.21 1vfi h ASP 53 Ca -0.00 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.40 1vfi h ASP 53 Cb 0.82 -0.15 0.01 0.00 1.72 0.00 0.00 39.33 41.72 1vfi h ASP 53 CO 0.00 0.45 -0.34 0.11 -2.88 0.00 0.00 179.24 176.58 1vfi h LYS 54 N 0.74 -0.92 -1.02 0.28 1.57 -1.49 1.14 116.57 116.87 1vfi h LYS 54 Ca 0.21 0.06 0.26 0.00 -1.87 0.00 0.00 60.65 59.31 1vfi h LYS 54 Cb -0.05 0.21 -0.11 0.00 0.08 0.00 0.00 32.23 32.36 1vfi h LYS 54 CO -0.05 -0.59 0.62 0.28 -0.57 0.00 0.00 179.45 179.15 1vfi h VAL 55 N -1.09 0.52 0.35 0.50 2.07 -1.05 0.28 116.25 117.82 1vfi h VAL 55 Ca -0.10 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1vfi h VAL 55 Cb 0.76 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1vfi h VAL 55 CO 0.16 0.09 -0.17 0.00 0.02 0.00 0.00 177.57 177.68 1vfi h ASP 57 N -1.04 -0.21 0.50 0.00 3.32 0.30 0.44 116.42 119.73 1vfi h ASP 57 Ca -0.05 0.27 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 1vfi h ASP 57 Cb 0.47 0.41 -0.02 0.00 0.22 0.00 0.00 39.33 40.42 1vfi h ASP 57 CO 0.08 -0.36 -0.44 0.00 -1.72 0.00 0.00 179.24 176.80 1vfi h ALA 58 N 1.97 -1.13 -0.45 3.45 0.00 -0.52 1.44 119.26 124.03 1vfi h ALA 58 Ca 0.67 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.47 1vfi h ALA 58 Cb 1.51 0.64 -0.09 0.00 0.00 0.00 0.00 17.79 19.85 1vfi h ALA 58 CO -0.86 -1.15 -0.48 0.00 0.00 0.00 0.00 179.25 176.77 1vfi h ARG 60 N -0.33 0.89 0.25 0.00 3.08 -0.51 1.16 114.38 118.92 1vfi h ARG 60 Ca 0.12 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1vfi h ARG 60 Cb 0.59 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1vfi h ARG 60 CO -0.61 0.59 -0.12 1.98 -1.07 0.00 0.00 179.97 180.74 1vfi h MET 61 N 0.92 -0.32 0.07 0.04 4.05 0.70 -0.44 114.93 119.95 1vfi h MET 61 Ca 0.46 0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.90 1vfi h MET 61 Cb 0.49 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.37 1vfi h MET 61 CO -0.22 0.01 -0.04 0.87 0.23 0.00 0.00 176.91 177.76 1vfi h LYS 62 N -0.69 -0.09 -0.81 0.39 6.56 0.30 -2.28 116.57 119.95 1vfi h LYS 62 Ca -0.03 0.01 0.16 0.00 -1.06 0.00 0.00 60.65 59.73 1vfi h LYS 62 Cb 0.48 0.02 -0.10 0.00 -0.57 0.00 0.00 32.23 32.06 1vfi h LYS 62 CO 0.06 0.01 0.34 0.00 -2.06 0.00 0.00 179.45 177.80 1vfi h HIS 64 N 0.46 -0.35 0.01 0.00 6.17 -0.48 1.57 115.15 122.52 1vfi h HIS 64 Ca 0.46 0.06 -0.00 0.00 0.71 0.00 0.00 60.37 61.60 1vfi h HIS 64 Cb 0.74 0.26 0.00 0.00 2.52 0.00 0.00 27.41 30.93 1vfi h HIS 64 CO -0.15 -0.28 -0.00 -0.22 0.71 0.00 0.00 177.93 177.98 1vfi h LYS 65 N -0.00 -0.01 -1.16 5.26 3.64 -0.50 -2.05 116.57 121.74 1vfi h LYS 65 Ca 0.31 0.00 0.33 0.00 -1.27 0.00 0.00 60.65 60.02 1vfi h LYS 65 Cb 0.47 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.21 1vfi h LYS 65 CO -0.67 0.83 0.78 0.00 -2.27 0.00 0.00 179.45 178.12 1vfi h ALA 66 N 0.02 2.66 0.13 5.00 0.00 0.28 1.58 119.26 128.92 1vfi h ALA 66 Ca -0.00 0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.66 1vfi h ALA 66 Cb 0.84 0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.73 1vfi h ALA 66 CO 0.00 -1.09 -1.23 0.00 0.00 0.00 0.00 179.25 176.93 1vfi h ARG 68 N 0.16 0.46 0.00 0.00 2.43 0.28 0.31 114.38 118.02 1vfi h ARG 68 Ca -0.16 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1vfi h ARG 68 Cb 1.92 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 31.37 1vfi h ARG 68 CO 0.22 0.30 0.00 0.00 -1.51 0.00 0.00 179.97 178.98 1vfi n ALA 69 N -2.20 1.95 0.06 2.80 0.00 0.12 -1.37 120.51 121.86 1vfi n ALA 69 Ca -0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.34 1vfi n ALA 69 Cb 0.03 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.13 1vfi n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vfi h ALA 70 N 2.70 -0.48 0.00 0.00 0.00 -0.55 -3.44 119.26 117.49 1vfi h ALA 70 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1vfi h ALA 70 Cb 0.36 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1vfi h ALA 70 CO 0.00 -0.47 -0.60 0.09 0.00 0.00 0.00 179.25 178.27 1vfi n ASN 71 N -2.90 1.18 -3.97 0.00 3.02 -0.97 -5.00 115.26 106.62 1vfi n ASN 71 Ca -0.02 0.20 -0.28 0.00 -0.03 0.00 0.00 54.58 54.45 1vfi n ASN 71 Cb 0.07 -0.64 0.22 0.00 -0.61 0.00 0.00 39.78 38.82 1vfi n ASN 71 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vfi n ALA 73 N -4.94 0.00 -0.08 0.00 0.00 -1.24 -4.18 120.51 110.08 1vfi n ALA 73 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.29 1vfi n ALA 73 Cb 0.55 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.87 1vfi n ALA 73 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1vfi n SER 74 N 0.00 2.03 0.26 0.00 7.64 -1.26 -4.14 113.62 118.15 1vfi n SER 74 Ca 0.00 0.01 0.15 0.00 1.01 0.00 0.00 58.87 60.05 1vfi n SER 74 Cb 0.00 -0.60 0.70 0.00 -1.01 0.00 0.00 64.21 63.30 1vfi n SER 74 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1vfi h GLU 75 N -0.03 0.00 -4.13 1.43 3.07 -1.96 -3.24 114.58 109.71 1vfi h GLU 75 Ca -0.52 0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 57.72 1vfi h GLU 75 Cb 1.93 0.00 -0.40 0.00 -0.84 0.00 0.00 28.75 29.44 1vfi h GLU 75 CO -0.04 0.00 -0.75 0.00 -1.40 0.00 0.00 179.01 176.82 1vfi n PRO 77 N 4.60 -0.74 -0.24 0.00 -0.04 -1.23 -4.73 135.00 132.63 1vfi n PRO 77 Ca -0.02 -0.27 0.02 0.00 -0.04 0.00 0.00 63.50 63.19 1vfi n PRO 77 Cb 0.43 -0.21 0.14 0.00 -0.04 0.00 0.00 33.50 33.82 1vfi n PRO 77 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1vfi h LYS 78 N 0.00 0.47 0.00 0.54 3.64 -1.94 -3.42 116.57 115.86 1vfi h LYS 78 Ca -0.06 -0.03 -0.32 0.00 -1.27 0.00 0.00 60.65 58.97 1vfi h LYS 78 Cb 0.17 -0.11 0.06 0.00 -0.41 0.00 0.00 32.23 31.94 1vfi h LYS 78 CO 0.04 0.31 0.08 1.58 -2.27 0.00 0.00 179.45 179.20 1vfi n HIS 79 N -4.95 -3.09 -1.67 1.91 -0.00 -1.26 -4.96 115.22 101.20 1vfi n HIS 79 Ca 0.11 -1.22 0.00 0.00 0.46 0.00 0.00 57.72 57.07 1vfi n HIS 79 Cb 0.32 -0.51 0.00 0.00 -0.12 0.00 0.00 29.99 29.68 1vfi n HIS 79 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1vfi n GLU 80 N -2.29 -4.56 -0.09 1.57 4.71 -1.26 -4.97 120.64 113.75 1vfi n GLU 80 Ca 0.11 3.29 -0.11 0.00 -0.01 0.00 0.00 57.16 60.44 1vfi n GLU 80 Cb 0.41 -3.57 -0.09 0.00 -1.01 0.00 0.00 31.44 27.18 1vfi n GLU 80 CO 0.00 0.00 0.00 -2.39 0.09 0.00 0.00 177.13 174.83 1vfi n HIS 81 N 0.78 0.00 -3.12 -0.32 1.44 -1.26 -4.70 115.22 108.04 1vfi n HIS 81 Ca 0.00 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.49 1vfi n HIS 81 Cb 0.00 -0.72 -0.04 0.00 0.12 0.00 0.00 29.99 29.35 1vfi n HIS 81 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 1vfi n LYS 82 N -2.92 1.76 -2.01 -1.40 2.85 -1.26 -4.84 118.16 110.34 1vfi n LYS 82 Ca -0.31 -3.90 -0.35 0.00 -1.05 0.00 0.00 58.31 52.69 1vfi n LYS 82 Cb 0.88 -1.87 0.03 0.00 -0.65 0.00 0.00 35.03 33.42 1vfi n LYS 82 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1vfi s SER 83 N -2.71 5.22 0.24 -5.58 0.15 -1.26 -4.57 113.70 105.20 1vfi s SER 83 Ca 0.43 2.32 -0.07 0.00 0.70 0.00 0.00 55.95 59.33 1vfi s SER 83 Cb 0.31 -2.59 0.43 0.00 -1.71 0.00 0.00 66.02 62.46 1vfi s SER 83 CO -0.10 -1.57 1.65 -0.78 1.20 0.00 0.00 173.24 173.65 1vfi h ASP 84 N 0.82 -0.22 -0.07 5.45 3.58 -1.98 1.51 116.42 125.50 1vfi h ASP 84 Ca -0.50 0.18 -0.04 0.00 0.42 0.00 0.00 57.03 57.08 1vfi h ASP 84 Cb 1.29 0.29 0.00 0.00 1.72 0.00 0.00 39.33 42.63 1vfi h ASP 84 CO 0.55 -0.13 -0.13 0.00 -2.88 0.00 0.00 179.24 176.65 1vfi h THR 85 N 0.15 1.41 0.32 2.25 1.03 -1.90 -3.04 112.91 113.13 1vfi h THR 85 Ca 0.41 -1.43 -0.01 0.00 -0.01 0.00 0.00 66.41 65.36 1vfi h THR 85 Cb 0.71 2.20 -0.02 0.00 -1.07 0.00 0.00 68.15 69.97 1vfi h THR 85 CO -0.60 0.40 -0.34 0.00 -0.01 0.00 0.00 175.52 174.97 1vfi n ARG 87 N -4.44 -0.03 0.06 0.00 1.74 0.50 0.12 116.66 114.61 1vfi n ARG 87 Ca -0.08 1.15 -0.03 0.00 -0.77 0.00 0.00 57.85 58.11 1vfi n ARG 87 Cb 0.31 -2.27 -0.02 0.00 -1.02 0.00 0.00 32.46 29.46 1vfi n ARG 87 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vfi h ALA 88 N 1.44 -0.29 -0.68 7.54 0.00 -1.00 -2.90 119.26 123.37 1vfi h ALA 88 Ca 0.81 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.80 1vfi h ALA 88 Cb 2.64 0.08 -0.13 0.00 0.00 0.00 0.00 17.79 20.39 1vfi h ALA 88 CO -0.41 -0.28 -0.28 0.00 0.00 0.00 0.00 179.25 178.28 1vfi h MET 90 N -0.09 0.24 0.07 0.00 2.07 0.75 -0.26 114.93 117.71 1vfi h MET 90 Ca 0.29 -0.01 -0.20 0.00 -2.07 0.00 0.00 59.70 57.70 1vfi h MET 90 Cb 0.55 -0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 30.22 1vfi h MET 90 CO -0.74 0.16 -1.04 -0.22 1.07 0.00 0.00 176.91 176.14 1vfi h LYS 91 N 0.24 0.15 -1.40 1.72 3.11 0.20 1.55 116.57 122.14 1vfi h LYS 91 Ca 0.53 -0.25 0.41 0.00 -2.81 0.00 0.00 60.65 58.52 1vfi h LYS 91 Cb 1.63 0.09 -0.06 0.00 -1.00 0.00 0.00 32.23 32.90 1vfi h LYS 91 CO -0.16 1.12 1.18 1.15 -2.81 0.00 0.00 179.45 179.94 1vfi h THR 92 N -0.60 0.10 0.00 1.00 2.02 0.38 -3.07 112.91 112.74 1vfi h THR 92 Ca -0.24 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1vfi h THR 92 Cb 1.50 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1vfi h THR 92 CO -0.00 0.00 -0.24 -0.46 0.37 0.00 0.00 175.52 175.19 1vfi n ASN 93 N -3.72 0.68 -0.34 4.18 0.23 -0.77 -5.04 115.26 110.46 1vfi n ASN 93 Ca 0.31 0.14 0.00 0.00 -0.53 0.00 0.00 54.58 54.50 1vfi n ASN 93 Cb 1.61 -0.17 0.00 0.00 -2.08 0.00 0.00 39.78 39.15 1vfi n ASN 93 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33