#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vfi h SER 2 N 0.00 -1.02 -3.94 4.38 0.02 -2.11 -3.49 113.55 107.39 1vfi h SER 2 Ca 0.00 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1vfi h SER 2 Cb 0.00 0.40 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1vfi h SER 2 CO 0.00 -0.41 -0.84 -0.62 -1.14 0.00 0.00 176.83 173.82 1vfi n GLU 3 N -5.42 -3.79 -0.36 3.45 1.02 -1.26 -4.49 120.64 109.79 1vfi n GLU 3 Ca -0.06 2.89 0.01 0.00 -0.02 0.00 0.00 57.16 59.99 1vfi n GLU 3 Cb 0.34 -3.48 0.07 0.00 -0.02 0.00 0.00 31.44 28.35 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 -1.89 0.13 -2.41 -0.32 3.72 -1.26 -4.90 117.46 110.52 1vfi n PHE 4 Ca 0.00 1.18 -0.02 0.00 -0.05 0.00 0.00 57.45 58.55 1vfi n PHE 4 Cb 0.27 -0.92 -0.02 0.00 -0.94 0.00 0.00 39.48 37.86 1vfi n PHE 4 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1vfi n ALA 5 N -3.55 -3.50 -1.73 4.37 0.00 -1.26 -4.98 120.51 109.87 1vfi n ALA 5 Ca 0.12 1.23 -0.33 0.00 0.00 0.00 0.00 53.44 54.46 1vfi n ALA 5 Cb 0.42 -2.41 -0.01 0.00 0.00 0.00 0.00 19.45 17.45 1vfi n ALA 5 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1vfi s PRO 6 N -1.00 3.53 0.61 0.00 0.04 -1.26 -4.90 135.00 132.01 1vfi s PRO 6 Ca -0.12 1.24 0.29 0.00 0.04 0.00 0.00 61.00 62.45 1vfi s PRO 6 Cb 0.01 -2.06 1.60 0.00 0.04 0.00 0.00 34.50 34.09 1vfi s PRO 6 CO 0.63 -0.64 1.99 0.28 0.04 0.00 0.00 177.00 179.30 1vfi h VAL 7 N 0.85 0.32 -3.75 -0.36 2.07 -1.94 -3.47 116.25 109.97 1vfi h VAL 7 Ca -0.48 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.20 1vfi h VAL 7 Cb 1.22 0.72 -0.09 0.00 -1.52 0.00 0.00 31.29 31.62 1vfi h VAL 7 CO 0.58 0.00 -1.14 0.47 0.02 0.00 0.00 177.57 177.50 1vfi n ASP 8 N -3.56 -8.42 0.03 0.57 8.00 -1.26 -4.90 116.55 107.01 1vfi n ASP 8 Ca 0.03 1.75 0.00 0.00 0.71 0.00 0.00 54.79 57.29 1vfi n ASP 8 Cb 0.47 -5.20 0.00 0.00 -0.02 0.00 0.00 41.12 36.37 1vfi n ASP 8 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vfi n LYS 10 N -2.74 0.00 0.00 0.00 4.81 -1.26 0.52 118.16 119.49 1vfi n LYS 10 Ca 0.00 0.87 -0.11 0.00 -0.87 0.00 0.00 58.31 58.19 1vfi n LYS 10 Cb 0.03 -1.50 -0.07 0.00 0.02 0.00 0.00 35.03 33.51 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 -1.21 -1.05 3.14 0.00 -1.97 0.61 103.07 102.58 1vfi h GLY 11 Ca 0.00 0.68 0.42 0.00 0.00 0.00 0.00 47.33 48.43 1vfi h GLY 11 CO 0.00 -0.30 0.71 1.46 0.00 0.00 0.00 176.54 178.41 1vfi h GLN 12 N -0.45 0.07 -2.95 4.80 1.08 -1.78 0.27 115.11 116.15 1vfi h GLN 12 Ca 0.02 -0.00 -0.70 0.00 -1.45 0.00 0.00 58.65 56.51 1vfi h GLN 12 Cb 0.51 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.89 1vfi h GLN 12 CO -0.32 0.05 3.18 0.00 -0.95 0.00 0.00 178.83 180.79 1vfi n THR 14 N 2.97 1.56 -0.03 0.00 -1.04 0.08 -3.03 114.28 114.78 1vfi n THR 14 Ca 0.69 -0.76 -0.15 0.00 -2.04 0.00 0.00 64.05 61.80 1vfi n THR 14 Cb 0.25 -1.05 -0.09 0.00 -1.82 0.00 0.00 70.33 67.62 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 0.01 1.43 0.00 12.58 2.02 -1.85 0.49 112.91 127.60 1vfi h THR 15 Ca -0.44 -1.66 0.00 0.00 0.77 0.00 0.00 66.41 65.09 1vfi h THR 15 Cb 2.07 2.32 0.00 0.00 -1.74 0.00 0.00 68.15 70.80 1vfi h THR 15 CO 0.04 0.47 0.00 1.55 0.37 0.00 0.00 175.52 177.95 1vfi h PRO 16 N -0.21 0.00 -0.09 6.66 0.13 -1.88 -2.79 132.00 133.82 1vfi h PRO 16 Ca -0.01 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.10 1vfi h PRO 16 Cb 0.89 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 1vfi h PRO 16 CO 0.05 0.00 -0.10 0.00 -0.23 0.00 0.00 178.00 177.72 1vfi h GLU 18 N 0.67 -0.03 -0.03 0.00 4.81 0.29 -2.61 114.58 117.68 1vfi h GLU 18 Ca 0.03 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.04 1vfi h GLU 18 Cb 1.17 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1vfi h GLU 18 CO 0.09 0.69 -0.87 -1.00 -0.73 0.00 0.00 179.01 177.18 1vfi h PRO 19 N -0.87 0.45 0.47 0.92 0.13 -1.83 -3.05 132.00 128.22 1vfi h PRO 19 Ca -0.00 -0.44 -0.02 0.00 -0.87 0.00 0.00 66.00 64.67 1vfi h PRO 19 Cb 0.73 0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1vfi h PRO 19 CO 0.01 1.09 -0.23 1.25 -0.23 0.00 0.00 178.00 179.89 1vfi h LEU 20 N 0.27 -0.53 -0.89 1.56 5.85 -1.81 0.32 115.31 120.07 1vfi h LEU 20 Ca -0.07 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.76 1vfi h LEU 20 Cb 1.49 0.14 -0.11 0.00 0.37 0.00 0.00 40.66 42.54 1vfi h LEU 20 CO 0.15 -0.38 -0.58 0.74 -0.34 0.00 0.00 178.44 178.04 1vfi h THR 21 N -0.63 0.00 -1.00 1.05 2.02 -1.58 1.24 112.91 114.01 1vfi h THR 21 Ca -0.06 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.33 1vfi h THR 21 Cb 0.48 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.79 1vfi h THR 21 CO 0.11 0.00 0.61 0.00 0.37 0.00 0.00 175.52 176.61 1vfi h ALA 22 N 0.43 1.79 0.33 6.16 0.00 -1.51 0.62 119.26 127.07 1vfi h ALA 22 Ca 0.15 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1vfi h ALA 22 Cb 0.45 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1vfi h ALA 22 CO -0.88 -0.19 -0.44 0.00 0.00 0.00 0.00 179.25 177.74 1vfi h LYS 24 N -0.82 -0.45 -0.05 0.00 1.57 0.62 -2.29 116.57 115.15 1vfi h LYS 24 Ca -0.02 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1vfi h LYS 24 Cb 0.76 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.14 1vfi h LYS 24 CO -0.13 -0.30 -0.29 1.49 -0.57 0.00 0.00 179.45 179.64 1vfi h GLU 25 N -0.47 -0.32 -0.97 3.15 4.22 0.45 1.57 114.58 122.21 1vfi h GLU 25 Ca -0.04 0.02 0.37 0.00 0.08 0.00 0.00 59.36 59.79 1vfi h GLU 25 Cb 0.37 0.07 -0.18 0.00 0.50 0.00 0.00 28.75 29.52 1vfi h GLU 25 CO 0.06 -0.21 0.40 1.17 -2.18 0.00 0.00 179.01 178.24 1vfi n LYS 26 N -4.12 -0.06 0.10 1.92 4.81 0.41 0.92 118.16 122.15 1vfi n LYS 26 Ca -0.04 1.37 -0.10 0.00 -0.87 0.00 0.00 58.31 58.68 1vfi n LYS 26 Cb 0.21 -2.38 -0.06 0.00 0.02 0.00 0.00 35.03 32.81 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 -0.60 0.87 -0.75 0.00 0.00 0.82 1.38 119.26 120.97 1vfi h ALA 28 Ca -0.03 0.31 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1vfi h ALA 28 Cb 0.48 0.56 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1vfi h ALA 28 CO 0.06 -0.46 0.26 0.93 0.00 0.00 0.00 179.25 180.03 1vfi h GLU 29 N 0.04 1.15 -0.84 0.00 4.39 0.53 0.17 114.58 120.02 1vfi h GLU 29 Ca 0.49 -0.23 -0.08 0.00 0.34 0.00 0.00 59.36 59.87 1vfi h GLU 29 Cb 0.89 -0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 29.31 1vfi h GLU 29 CO -0.84 0.96 0.11 0.45 -1.16 0.00 0.00 179.01 178.53 1vfi n SER 30 N -4.26 3.53 -1.89 1.42 2.88 0.41 -3.63 113.62 112.08 1vfi n SER 30 Ca 0.06 -2.62 -0.04 0.00 -1.33 0.00 0.00 58.87 54.95 1vfi n SER 30 Cb 0.21 -0.63 0.04 0.00 -0.75 0.00 0.00 64.21 63.09 1vfi n SER 30 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vfi h GLU 32 N 0.53 0.00 -0.73 0.00 5.08 -0.77 -3.34 114.58 115.35 1vfi h GLU 32 Ca -0.48 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.10 1vfi h GLU 32 Cb 1.32 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.54 1vfi h GLU 32 CO -0.22 0.00 0.69 1.79 -1.00 0.00 0.00 179.01 180.27 1vfi h THR 33 N -0.75 0.32 -1.90 1.13 1.35 -1.86 -3.43 112.91 107.77 1vfi h THR 33 Ca 0.00 0.00 -0.64 0.00 -0.55 0.00 0.00 66.41 65.22 1vfi h THR 33 Cb 0.10 0.47 0.10 0.00 -1.73 0.00 0.00 68.15 67.09 1vfi h THR 33 CO 0.00 0.00 -0.06 -0.24 -0.25 0.00 0.00 175.52 174.97 1vfi n SER 34 N -3.77 0.46 -0.19 5.36 2.88 -1.25 -4.85 113.62 112.27 1vfi n SER 34 Ca 0.15 1.16 -0.07 0.00 -1.33 0.00 0.00 58.87 58.78 1vfi n SER 34 Cb 0.95 -1.16 0.03 0.00 -0.75 0.00 0.00 64.21 63.28 1vfi n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vfi h ALA 35 N 1.88 0.70 -1.87 -1.46 0.00 -1.91 -3.04 119.26 113.56 1vfi h ALA 35 Ca -0.37 -0.06 -0.63 0.00 0.00 0.00 0.00 54.91 53.85 1vfi h ALA 35 Cb 1.37 -0.22 -0.39 0.00 0.00 0.00 0.00 17.79 18.55 1vfi h ALA 35 CO 0.61 0.18 -0.38 -0.25 0.00 0.00 0.00 179.25 179.40 1vfi n ASP 36 N -4.66 5.06 -0.46 0.00 8.00 -1.26 -4.85 116.55 118.37 1vfi n ASP 36 Ca 0.03 -3.71 0.39 0.00 0.71 0.00 0.00 54.79 52.21 1vfi n ASP 36 Cb 0.05 -0.63 0.67 0.00 -0.02 0.00 0.00 41.12 41.19 1vfi n ASP 36 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1vfi h LYS 37 N 3.00 0.05 0.01 -1.24 2.10 -1.70 0.32 116.57 119.11 1vfi h LYS 37 Ca 0.25 -0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.91 1vfi h LYS 37 Cb 0.57 -0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 31.86 1vfi h LYS 37 CO 0.91 0.04 -0.35 -0.22 -2.00 0.00 0.00 179.45 177.82 1vfi h LYS 38 N 0.05 -0.43 -0.98 0.07 1.63 -1.88 0.93 116.57 115.96 1vfi h LYS 38 Ca 0.85 0.03 0.11 0.00 -0.85 0.00 0.00 60.65 60.79 1vfi h LYS 38 Cb 2.71 0.10 -0.13 0.00 -0.60 0.00 0.00 32.23 34.30 1vfi h LYS 38 CO -0.42 -0.29 -0.51 2.41 -3.45 0.00 0.00 179.45 177.20 1vfi n THR 39 N -4.42 -0.61 0.23 1.00 -1.04 0.11 0.19 114.28 109.74 1vfi n THR 39 Ca -0.05 2.35 -0.11 0.00 -2.04 0.00 0.00 64.05 64.20 1vfi n THR 39 Cb 0.26 -2.98 -0.06 0.00 -1.82 0.00 0.00 70.33 65.73 1vfi n THR 39 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1vfi h ARG 41 N -0.67 0.03 -0.26 0.00 3.08 0.25 1.65 114.38 118.47 1vfi h ARG 41 Ca -0.05 -0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.85 1vfi h ARG 41 Cb 0.55 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1vfi h ARG 41 CO 0.03 0.02 -0.43 0.00 -1.07 0.00 0.00 179.97 178.52 1vfi h ARG 42 N 0.03 0.64 0.00 0.04 3.08 0.26 -2.45 114.38 115.98 1vfi h ARG 42 Ca 0.58 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 60.27 1vfi h ARG 42 Cb 1.19 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.26 1vfi h ARG 42 CO -0.88 0.95 -0.10 -0.97 -1.07 0.00 0.00 179.97 177.90 1vfi h ASN 43 N 0.52 0.00 0.09 7.04 -0.73 1.20 -1.28 115.58 122.42 1vfi h ASN 43 Ca 0.04 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.18 1vfi h ASN 43 Cb 0.96 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.55 1vfi h ASN 43 CO 0.09 0.10 -0.11 0.00 -0.37 0.00 0.00 177.43 177.13 1vfi h LYS 45 N 0.06 0.42 0.00 0.00 3.64 -1.29 -0.78 116.57 118.62 1vfi h LYS 45 Ca 0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1vfi h LYS 45 Cb 0.24 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1vfi h LYS 45 CO 0.02 0.36 -1.05 1.63 -2.27 0.00 0.00 179.45 178.13 1vfi n LYS 46 N -4.41 0.23 0.45 1.90 4.76 -0.13 -2.16 118.16 118.80 1vfi n LYS 46 Ca 0.01 -0.02 -0.18 0.00 -2.87 0.00 0.00 58.31 55.26 1vfi n LYS 46 Cb 0.13 -1.56 -0.08 0.00 -1.84 0.00 0.00 35.03 31.68 1vfi n LYS 46 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1vfi h ALA 47 N 2.64 -1.23 0.00 7.82 0.00 0.13 -3.44 119.26 125.18 1vfi h ALA 47 Ca 0.00 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 1vfi h ALA 47 Cb 0.68 0.45 -0.09 0.00 0.00 0.00 0.00 17.79 18.82 1vfi h ALA 47 CO 0.00 -1.15 0.03 -3.47 0.00 0.00 0.00 179.25 174.66 1vfi n ASP 48 N -5.29 -1.14 -0.35 0.00 2.03 -1.04 -4.96 116.55 105.80 1vfi n ASP 48 Ca -0.14 -1.75 0.01 0.00 0.52 0.00 0.00 54.79 53.43 1vfi n ASP 48 Cb 0.45 0.83 0.02 0.00 -0.72 0.00 0.00 41.12 41.70 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 0.00 0.06 -0.03 0.00 5.08 -1.73 0.39 114.58 118.35 1vfi h GLU 50 Ca 0.00 -0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 58.14 1vfi h GLU 50 Cb 1.26 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 1vfi h GLU 50 CO 0.00 0.19 -0.86 -1.00 -1.00 0.00 0.00 179.01 176.34 1vfi h PRO 51 N -0.08 0.42 0.08 2.33 0.13 -1.89 -2.66 132.00 130.33 1vfi h PRO 51 Ca 0.01 -0.40 -0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1vfi h PRO 51 Cb 0.15 0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.38 1vfi h PRO 51 CO -0.00 1.06 -0.04 1.96 -0.23 0.00 0.00 178.00 180.75 1vfi h GLN 52 N 0.25 -0.10 -0.96 0.86 4.20 -1.85 -0.65 115.11 116.86 1vfi h GLN 52 Ca -0.06 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.73 1vfi h GLN 52 Cb 1.48 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 29.21 1vfi h GLN 52 CO 0.15 0.14 0.62 0.22 -0.67 0.00 0.00 178.83 179.29 1vfi h ASP 53 N -0.34 0.96 0.82 1.46 1.82 -0.29 -2.28 116.42 118.57 1vfi h ASP 53 Ca -0.01 0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 56.60 1vfi h ASP 53 Cb 0.29 -0.19 0.01 0.00 0.68 0.00 0.00 39.33 40.12 1vfi h ASP 53 CO 0.02 0.60 -0.39 0.11 -1.61 0.00 0.00 179.24 177.96 1vfi h LYS 54 N 1.08 -1.06 -1.69 0.28 1.57 -1.21 0.47 116.57 116.00 1vfi h LYS 54 Ca 0.42 0.07 0.52 0.00 -1.87 0.00 0.00 60.65 59.79 1vfi h LYS 54 Cb 0.23 0.24 -0.10 0.00 0.08 0.00 0.00 32.23 32.68 1vfi h LYS 54 CO -0.17 -0.71 1.18 0.28 -0.57 0.00 0.00 179.45 179.46 1vfi h VAL 55 N -1.12 0.05 0.04 0.50 2.07 -0.73 1.11 116.25 118.16 1vfi h VAL 55 Ca -0.11 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1vfi h VAL 55 Cb 0.84 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1vfi h VAL 55 CO 0.19 0.00 -0.02 0.00 0.02 0.00 0.00 177.57 177.76 1vfi h ASP 57 N -0.97 -1.92 -0.91 0.00 3.58 0.60 0.11 116.42 116.91 1vfi h ASP 57 Ca -0.00 0.29 0.08 0.00 0.42 0.00 0.00 57.03 57.82 1vfi h ASP 57 Cb 0.56 0.85 -0.11 0.00 1.72 0.00 0.00 39.33 42.34 1vfi h ASP 57 CO 0.01 -0.30 -0.56 0.00 -2.88 0.00 0.00 179.24 175.51 1vfi h ALA 58 N 0.44 -0.54 -0.56 -0.78 0.00 -0.96 1.57 119.26 118.43 1vfi h ALA 58 Ca 0.15 0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.25 1vfi h ALA 58 Cb 0.50 1.34 -0.10 0.00 0.00 0.00 0.00 17.79 19.53 1vfi h ALA 58 CO -0.81 -0.92 -0.46 0.00 0.00 0.00 0.00 179.25 177.06 1vfi h ARG 60 N -0.25 0.97 -0.12 0.00 3.08 0.14 0.97 114.38 119.18 1vfi h ARG 60 Ca 0.16 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 1vfi h ARG 60 Cb 0.56 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 1vfi h ARG 60 CO -0.68 0.64 -0.01 1.98 -1.07 0.00 0.00 179.97 180.84 1vfi h MET 61 N 1.00 0.21 0.44 0.04 4.05 0.79 -1.57 114.93 119.89 1vfi h MET 61 Ca 0.46 -0.07 -0.02 0.00 -0.28 0.00 0.00 59.70 59.79 1vfi h MET 61 Cb 0.41 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.20 1vfi h MET 61 CO -0.22 0.48 -0.21 0.87 0.23 0.00 0.00 176.91 178.06 1vfi h LYS 62 N -0.07 -0.57 -0.73 0.39 6.56 0.31 -2.86 116.57 119.60 1vfi h LYS 62 Ca 0.03 0.04 0.08 0.00 -1.06 0.00 0.00 60.65 59.74 1vfi h LYS 62 Cb 0.39 0.13 -0.11 0.00 -0.57 0.00 0.00 32.23 32.07 1vfi h LYS 62 CO 0.01 -0.26 -0.55 0.00 -2.06 0.00 0.00 179.45 176.58 1vfi n HIS 64 N -5.33 0.02 -0.12 0.00 -0.00 -0.59 0.19 115.22 109.39 1vfi n HIS 64 Ca 0.00 1.21 -0.10 0.00 -0.00 0.00 0.00 57.72 58.83 1vfi n HIS 64 Cb 0.31 -0.86 -0.02 0.00 -0.00 0.00 0.00 29.99 29.41 1vfi n HIS 64 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 1vfi h LYS 65 N 0.00 0.57 0.34 1.57 3.64 -0.07 -1.32 116.57 121.31 1vfi h LYS 65 Ca 0.34 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1vfi h LYS 65 Cb 0.58 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 1vfi h LYS 65 CO -0.97 0.67 -0.51 0.00 -2.27 0.00 0.00 179.45 176.36 1vfi h ALA 66 N 0.88 -1.08 -0.67 5.00 0.00 0.90 0.72 119.26 125.01 1vfi h ALA 66 Ca 0.10 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 55.00 1vfi h ALA 66 Cb 0.39 0.80 -0.11 0.00 0.00 0.00 0.00 17.79 18.87 1vfi h ALA 66 CO 0.01 -1.16 0.06 0.00 0.00 0.00 0.00 179.25 178.16 1vfi h ARG 68 N 0.17 0.50 -0.01 0.00 1.12 -0.13 0.38 114.38 116.40 1vfi h ARG 68 Ca 0.36 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 59.20 1vfi h ARG 68 Cb 0.61 -0.11 0.00 0.00 -0.01 0.00 0.00 29.97 30.45 1vfi h ARG 68 CO -0.54 0.33 0.00 0.00 -3.11 0.00 0.00 179.97 176.66 1vfi n ALA 69 N -2.34 2.62 -0.09 2.80 0.00 0.24 -1.47 120.51 122.26 1vfi n ALA 69 Ca 0.05 -0.16 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 1vfi n ALA 69 Cb 0.14 -1.32 -0.05 0.00 0.00 0.00 0.00 19.45 18.22 1vfi n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vfi n ALA 70 N -0.74 0.78 -0.05 0.00 0.00 0.30 -4.69 120.51 116.11 1vfi n ALA 70 Ca 0.16 -0.70 -0.06 0.00 0.00 0.00 0.00 53.44 52.85 1vfi n ALA 70 Cb 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 19.45 19.49 1vfi n ALA 70 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1vfi n ASN 71 N -4.47 1.29 -3.30 0.00 5.03 0.23 -4.62 115.26 109.42 1vfi n ASN 71 Ca -0.21 0.22 -0.27 0.00 0.87 0.00 0.00 54.58 55.18 1vfi n ASN 71 Cb 0.52 -0.62 -0.03 0.00 -1.02 0.00 0.00 39.78 38.64 1vfi n ASN 71 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1vfi h ALA 73 N 6.84 -0.12 0.06 0.00 0.00 -1.76 -3.21 119.26 121.07 1vfi h ALA 73 Ca 0.45 -0.81 -0.34 0.00 0.00 0.00 0.00 54.91 54.22 1vfi h ALA 73 Cb 0.30 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1vfi h ALA 73 CO 1.58 0.58 -1.88 0.45 0.00 0.00 0.00 179.25 179.98 1vfi n SER 74 N -3.88 2.01 -0.23 0.00 2.88 -1.26 -4.07 113.62 109.07 1vfi n SER 74 Ca -0.16 0.25 0.31 0.00 -1.33 0.00 0.00 58.87 57.94 1vfi n SER 74 Cb 0.99 -0.84 0.73 0.00 -0.75 0.00 0.00 64.21 64.34 1vfi n SER 74 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1vfi h GLU 75 N -0.36 0.00 -4.61 -1.46 3.07 -1.87 -3.23 114.58 106.11 1vfi h GLU 75 Ca -0.45 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 57.73 1vfi h GLU 75 Cb 1.76 0.00 -0.36 0.00 -0.84 0.00 0.00 28.75 29.31 1vfi h GLU 75 CO -0.07 0.00 -0.64 0.00 -1.40 0.00 0.00 179.01 176.90 1vfi n PRO 77 N 4.49 -1.80 -0.00 0.00 -0.04 -1.22 -4.75 135.00 131.67 1vfi n PRO 77 Ca -0.03 -1.44 -0.02 0.00 -0.04 0.00 0.00 63.50 61.98 1vfi n PRO 77 Cb 0.42 -1.14 -0.01 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.10 0.00 0.54 3.64 -1.94 -3.39 116.57 115.32 1vfi h LYS 78 Ca -0.32 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1vfi h LYS 78 Cb 0.92 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1vfi h LYS 78 CO 0.22 -0.07 0.00 1.58 -2.27 0.00 0.00 179.45 178.91 1vfi n HIS 79 N -4.72 0.00 -1.00 1.91 -0.00 -1.26 -4.59 115.22 105.56 1vfi n HIS 79 Ca -0.01 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 57.95 1vfi n HIS 79 Cb 0.04 -0.44 0.18 0.00 -0.12 0.00 0.00 29.99 29.65 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 -2.62 -2.38 0.00 1.57 4.71 -1.26 -5.02 120.64 115.64 1vfi n GLU 80 Ca 0.00 -1.32 0.00 0.00 -0.01 0.00 0.00 57.16 55.83 1vfi n GLU 80 Cb 0.00 -1.18 0.00 0.00 -1.01 0.00 0.00 31.44 29.25 1vfi n GLU 80 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1vfi n HIS 81 N -4.13 -1.16 -3.33 -0.32 8.25 -1.26 -4.55 115.22 108.71 1vfi n HIS 81 Ca 0.11 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.23 1vfi n HIS 81 Cb 0.43 0.39 -0.05 0.00 1.12 0.00 0.00 29.99 31.88 1vfi n HIS 81 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1vfi n LYS 82 N -2.27 3.23 -3.19 -0.41 0.00 -1.26 -4.85 118.16 109.41 1vfi n LYS 82 Ca 0.00 -4.59 -0.27 0.00 -0.00 0.00 0.00 58.31 53.45 1vfi n LYS 82 Cb 0.00 -2.38 -0.02 0.00 -0.00 0.00 0.00 35.03 32.63 1vfi n LYS 82 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1vfi s SER 83 N -1.69 6.38 0.25 -5.58 1.04 -1.26 -4.86 113.70 107.98 1vfi s SER 83 Ca 0.34 0.71 -0.04 0.00 0.48 0.00 0.00 55.95 57.45 1vfi s SER 83 Cb 0.06 -2.15 0.40 0.00 0.10 0.00 0.00 66.02 64.43 1vfi s SER 83 CO 0.00 -0.31 1.84 0.44 0.98 0.00 0.00 173.24 176.19 1vfi h ASP 84 N 1.14 0.83 -0.47 7.02 5.19 -1.96 0.92 116.42 129.09 1vfi h ASP 84 Ca -0.48 0.03 -0.13 0.00 -0.62 0.00 0.00 57.03 55.83 1vfi h ASP 84 Cb 1.20 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.56 1vfi h ASP 84 CO 0.64 0.50 -0.20 0.00 -3.12 0.00 0.00 179.24 177.06 1vfi h THR 85 N 0.94 1.27 0.63 0.35 1.03 -1.94 -1.61 112.91 113.58 1vfi h THR 85 Ca 0.41 -1.36 -0.03 0.00 -0.01 0.00 0.00 66.41 65.42 1vfi h THR 85 Cb 0.29 1.10 0.01 0.00 -1.07 0.00 0.00 68.15 68.47 1vfi h THR 85 CO -0.21 0.47 -0.30 0.00 -0.01 0.00 0.00 175.52 175.46 1vfi h ARG 87 N -1.19 -0.09 -0.46 0.00 3.08 0.79 1.00 114.38 117.51 1vfi h ARG 87 Ca -0.09 0.01 0.02 0.00 0.07 0.00 0.00 59.98 59.99 1vfi h ARG 87 Cb 0.67 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.71 1vfi h ARG 87 CO 0.14 -0.06 0.26 0.00 -1.07 0.00 0.00 179.97 179.25 1vfi h ALA 88 N 1.19 0.58 -0.43 0.04 0.00 -1.30 0.96 119.26 120.30 1vfi h ALA 88 Ca 0.29 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.25 1vfi h ALA 88 Cb 0.57 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1vfi h ALA 88 CO -0.81 -0.05 0.12 0.00 0.00 0.00 0.00 179.25 178.50 1vfi h MET 90 N 0.26 0.66 0.00 0.00 2.07 0.16 -1.09 114.93 116.99 1vfi h MET 90 Ca 0.21 -0.26 0.00 0.00 -2.07 0.00 0.00 59.70 57.57 1vfi h MET 90 Cb 0.24 -0.03 0.00 0.00 -1.87 0.00 0.00 31.60 29.93 1vfi h MET 90 CO -0.25 0.84 0.00 -0.22 1.07 0.00 0.00 176.91 178.36 1vfi h LYS 91 N 0.58 0.00 0.00 1.72 3.64 0.23 -2.19 116.57 120.55 1vfi h LYS 91 Ca 0.08 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1vfi h LYS 91 Cb 0.72 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1vfi h LYS 91 CO 0.06 0.00 -0.10 1.15 -2.27 0.00 0.00 179.45 178.29 1vfi h THR 92 N 0.00 0.28 -1.30 1.00 2.02 0.27 -3.45 112.91 111.72 1vfi h THR 92 Ca 0.00 -1.22 -0.25 0.00 0.77 0.00 0.00 66.41 65.71 1vfi h THR 92 Cb 0.67 0.53 -0.21 0.00 -1.74 0.00 0.00 68.15 67.40 1vfi h THR 92 CO 0.00 0.09 -0.60 0.54 0.37 0.00 0.00 175.52 175.93 1vfi s ASN 93 N -5.70 -0.81 0.00 4.18 4.22 -0.48 -5.02 114.94 111.33 1vfi s ASN 93 Ca -0.05 -2.02 0.00 0.00 -2.14 0.00 0.00 52.86 48.65 1vfi s ASN 93 Cb -0.00 1.38 0.00 0.00 1.28 0.00 0.00 41.25 43.91 1vfi s ASN 93 CO 0.14 -0.08 0.00 0.00 -2.04 0.00 0.00 177.10 175.12