#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vfi n SER 2 N 0.00 -1.73 -1.07 7.28 7.64 -1.26 -4.91 113.62 119.57 1vfi n SER 2 Ca 0.00 1.24 0.13 0.00 1.01 0.00 0.00 58.87 61.25 1vfi n SER 2 Cb 0.00 -4.71 -0.07 0.00 -1.01 0.00 0.00 64.21 58.42 1vfi n SER 2 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1vfi n GLU 3 N 1.50 -2.49 -2.52 1.43 1.02 -1.26 -4.76 120.64 113.57 1vfi n GLU 3 Ca -0.32 2.04 -0.43 0.00 -0.02 0.00 0.00 57.16 58.44 1vfi n GLU 3 Cb 0.49 -2.89 -0.02 0.00 -0.02 0.00 0.00 31.44 28.99 1vfi n GLU 3 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1vfi s PHE 4 N -4.00 3.21 0.26 -0.32 0.08 -1.26 -5.03 117.98 110.92 1vfi s PHE 4 Ca 0.00 1.28 0.09 0.00 0.12 0.00 0.00 56.93 58.42 1vfi s PHE 4 Cb 0.00 -3.37 -0.04 0.00 -0.57 0.00 0.00 43.02 39.04 1vfi s PHE 4 CO 0.00 -1.07 0.07 0.00 -0.10 0.00 0.00 175.22 174.12 1vfi s ALA 5 N 2.50 3.31 1.10 5.36 0.00 -1.26 -5.13 121.76 127.63 1vfi s ALA 5 Ca 0.53 -1.57 -0.15 0.00 0.00 0.00 0.00 51.96 50.77 1vfi s ALA 5 Cb -0.22 -0.96 0.21 0.00 0.00 0.00 0.00 23.12 22.15 1vfi s ALA 5 CO 0.18 0.26 0.95 -0.35 0.00 0.00 0.00 175.76 176.80 1vfi n PRO 6 N -1.00 -1.83 -0.02 0.00 -0.04 -1.26 -5.01 135.00 125.84 1vfi n PRO 6 Ca -0.07 -1.48 0.05 0.00 -0.04 0.00 0.00 63.50 61.96 1vfi n PRO 6 Cb 0.59 -1.17 -0.12 0.00 -0.04 0.00 0.00 33.50 32.76 1vfi n PRO 6 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1vfi n VAL 7 N -3.88 0.17 -1.29 0.52 0.31 -1.26 -5.09 118.33 107.80 1vfi n VAL 7 Ca 0.12 -0.40 0.07 0.00 -0.01 0.00 0.00 64.34 64.12 1vfi n VAL 7 Cb 0.45 0.01 -0.02 0.00 -0.91 0.00 0.00 33.84 33.38 1vfi n VAL 7 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1vfi n ASP 8 N -2.13 -3.84 0.00 4.52 8.00 -1.26 -4.75 116.55 117.09 1vfi n ASP 8 Ca -0.06 0.52 0.00 0.00 0.71 0.00 0.00 54.79 55.96 1vfi n ASP 8 Cb 0.50 -1.63 0.00 0.00 -0.02 0.00 0.00 41.12 39.97 1vfi n ASP 8 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vfi h LYS 10 N 0.00 0.25 -0.09 0.00 3.11 -1.98 -0.79 116.57 117.07 1vfi h LYS 10 Ca 0.00 -0.01 -0.08 0.00 -2.81 0.00 0.00 60.65 57.75 1vfi h LYS 10 Cb 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.18 1vfi h LYS 10 CO 0.00 0.16 -0.24 0.78 -2.81 0.00 0.00 179.45 177.35 1vfi h GLY 11 N 0.26 0.35 -5.16 5.01 0.00 -1.93 -3.31 103.07 98.28 1vfi h GLY 11 Ca 0.43 -0.44 -0.36 0.00 0.00 0.00 0.00 47.33 46.96 1vfi h GLY 11 CO -0.54 0.39 2.22 -1.06 0.00 0.00 0.00 176.54 177.56 1vfi n GLN 12 N -4.49 2.12 -2.74 4.80 1.13 -0.30 -3.97 117.38 113.92 1vfi n GLN 12 Ca -0.08 -1.38 -0.09 0.00 -1.94 0.00 0.00 57.00 53.52 1vfi n GLN 12 Cb 0.44 -2.36 0.08 0.00 0.11 0.00 0.00 30.24 28.50 1vfi n GLN 12 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1vfi n THR 14 N 0.83 0.76 -0.11 0.00 -1.04 -1.25 -4.00 114.28 109.46 1vfi n THR 14 Ca 0.07 -0.20 -0.09 0.00 -2.04 0.00 0.00 64.05 61.80 1vfi n THR 14 Cb 0.68 -1.67 -0.01 0.00 -1.82 0.00 0.00 70.33 67.51 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 -0.48 1.11 0.00 12.58 2.02 -1.94 1.41 112.91 127.62 1vfi h THR 15 Ca -0.35 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.58 1vfi h THR 15 Cb 1.31 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1vfi h THR 15 CO -0.21 0.11 0.00 1.55 0.37 0.00 0.00 175.52 177.34 1vfi h PRO 16 N 0.46 0.00 -0.00 6.66 0.13 -1.95 -2.83 132.00 134.46 1vfi h PRO 16 Ca 0.13 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1vfi h PRO 16 Cb -0.01 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.12 1vfi h PRO 16 CO -0.02 0.00 -0.43 0.00 -0.23 0.00 0.00 178.00 177.31 1vfi h GLU 18 N 0.88 -0.25 -0.03 0.00 5.08 0.22 -2.26 114.58 118.22 1vfi h GLU 18 Ca 0.00 0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.18 1vfi h GLU 18 Cb 1.01 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 1vfi h GLU 18 CO 0.00 0.04 -0.84 -1.00 -1.00 0.00 0.00 179.01 176.21 1vfi h PRO 19 N -1.00 0.33 0.31 2.33 0.13 -1.84 -2.22 132.00 130.05 1vfi h PRO 19 Ca -0.03 -0.33 -0.02 0.00 -0.87 0.00 0.00 66.00 64.76 1vfi h PRO 19 Cb 0.41 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.62 1vfi h PRO 19 CO 0.04 1.00 -0.15 1.25 -0.23 0.00 0.00 178.00 179.92 1vfi h LEU 20 N 0.20 -0.35 0.62 1.56 7.12 -1.83 0.15 115.31 122.78 1vfi h LEU 20 Ca -0.05 -0.03 -0.03 0.00 0.13 0.00 0.00 57.88 57.91 1vfi h LEU 20 Cb 1.45 0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 41.67 1vfi h LEU 20 CO 0.14 -0.20 -0.34 0.74 -0.13 0.00 0.00 178.44 178.64 1vfi h THR 21 N -0.47 0.30 -1.01 1.05 2.02 -1.46 -0.53 112.91 112.81 1vfi h THR 21 Ca -0.04 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.38 1vfi h THR 21 Cb 0.36 0.30 -0.10 0.00 -1.74 0.00 0.00 68.15 66.96 1vfi h THR 21 CO 0.07 0.00 0.63 0.00 0.37 0.00 0.00 175.52 176.59 1vfi h ALA 22 N -0.55 1.99 0.64 6.16 0.00 -1.37 0.51 119.26 126.65 1vfi h ALA 22 Ca -0.08 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1vfi h ALA 22 Cb 0.71 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.50 1vfi h ALA 22 CO 0.10 -0.40 -0.31 0.00 0.00 0.00 0.00 179.25 178.65 1vfi h LYS 24 N -0.91 0.08 0.09 0.00 1.57 0.76 -1.10 116.57 117.06 1vfi h LYS 24 Ca -0.09 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1vfi h LYS 24 Cb 0.68 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1vfi h LYS 24 CO 0.14 0.05 -0.16 0.93 -0.57 0.00 0.00 179.45 179.84 1vfi h GLU 25 N 0.08 -0.26 -0.98 3.15 4.39 0.11 0.25 114.58 121.32 1vfi h GLU 25 Ca 0.17 0.02 0.31 0.00 0.34 0.00 0.00 59.36 60.20 1vfi h GLU 25 Cb 0.25 0.06 -0.18 0.00 -0.10 0.00 0.00 28.75 28.78 1vfi h GLU 25 CO -0.31 -0.18 0.17 1.17 -1.16 0.00 0.00 179.01 178.71 1vfi n LYS 26 N -3.34 -0.07 0.33 2.33 0.00 0.79 0.14 118.16 118.34 1vfi n LYS 26 Ca -0.03 1.43 -0.17 0.00 0.00 0.00 0.00 58.31 59.53 1vfi n LYS 26 Cb 0.14 -2.36 -0.09 0.00 0.00 0.00 0.00 35.03 32.72 1vfi n LYS 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1vfi h ALA 28 N -0.42 0.36 -0.58 0.00 0.00 0.46 1.36 119.26 120.44 1vfi h ALA 28 Ca -0.08 0.32 0.07 0.00 0.00 0.00 0.00 54.91 55.22 1vfi h ALA 28 Cb 0.64 0.88 -0.06 0.00 0.00 0.00 0.00 17.79 19.25 1vfi h ALA 28 CO 0.12 -0.52 0.26 0.93 0.00 0.00 0.00 179.25 180.04 1vfi h GLU 29 N -0.01 0.47 0.00 0.00 4.39 -0.79 0.39 114.58 119.03 1vfi h GLU 29 Ca 0.39 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.07 1vfi h GLU 29 Cb 0.64 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1vfi h GLU 29 CO -0.98 0.31 0.00 0.45 -1.16 0.00 0.00 179.01 177.63 1vfi n SER 30 N -4.92 0.20 -2.68 1.42 2.88 0.38 -2.96 113.62 107.94 1vfi n SER 30 Ca 0.07 0.54 -0.27 0.00 -1.33 0.00 0.00 58.87 57.89 1vfi n SER 30 Cb 0.21 -0.59 -0.02 0.00 -0.75 0.00 0.00 64.21 63.07 1vfi n SER 30 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vfi n GLU 32 N -0.37 0.47 0.22 0.00 1.02 -0.91 -4.54 120.64 116.52 1vfi n GLU 32 Ca 0.35 0.20 0.09 0.00 -0.02 0.00 0.00 57.16 57.78 1vfi n GLU 32 Cb 0.55 -1.31 0.46 0.00 -0.02 0.00 0.00 31.44 31.12 1vfi n GLU 32 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1vfi h THR 33 N -0.85 0.66 -2.46 2.62 1.35 -1.85 -3.45 112.91 108.93 1vfi h THR 33 Ca -0.25 -1.15 -0.61 0.00 -0.55 0.00 0.00 66.41 63.85 1vfi h THR 33 Cb 1.12 1.75 0.09 0.00 -1.73 0.00 0.00 68.15 69.38 1vfi h THR 33 CO -0.15 0.25 0.44 -1.20 -0.25 0.00 0.00 175.52 174.61 1vfi n SER 34 N -3.48 2.14 0.22 5.36 7.64 -1.26 -4.89 113.62 119.36 1vfi n SER 34 Ca -0.00 1.15 -0.16 0.00 1.01 0.00 0.00 58.87 60.87 1vfi n SER 34 Cb 0.43 -1.35 -0.09 0.00 -1.01 0.00 0.00 64.21 62.19 1vfi n SER 34 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vfi h ALA 35 N 3.60 -1.07 -2.23 -0.43 0.00 -1.95 -3.27 119.26 113.91 1vfi h ALA 35 Ca -0.44 -0.15 -0.74 0.00 0.00 0.00 0.00 54.91 53.58 1vfi h ALA 35 Cb 1.30 0.75 -0.21 0.00 0.00 0.00 0.00 17.79 19.63 1vfi h ALA 35 CO 0.71 -1.13 0.63 -0.51 0.00 0.00 0.00 179.25 178.96 1vfi s ASP 36 N -4.24 6.78 0.04 0.00 1.01 -1.26 -4.87 116.67 114.12 1vfi s ASP 36 Ca -0.16 -2.48 -0.30 0.00 0.71 0.00 0.00 52.55 50.32 1vfi s ASP 36 Cb 0.04 -2.32 -0.17 0.00 1.01 0.00 0.00 42.92 41.47 1vfi s ASP 36 CO 0.55 -0.81 1.36 0.11 0.21 0.00 0.00 175.17 176.58 1vfi h LYS 37 N 8.14 -0.92 -0.03 8.23 6.56 -1.82 -0.00 116.57 136.72 1vfi h LYS 37 Ca 0.16 0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.82 1vfi h LYS 37 Cb 1.00 0.21 -0.00 0.00 -0.57 0.00 0.00 32.23 32.86 1vfi h LYS 37 CO 1.00 -0.59 -0.02 0.87 -2.06 0.00 0.00 179.45 178.65 1vfi h LYS 38 N -1.12 -0.00 -0.60 3.15 6.56 -1.89 0.76 116.57 123.43 1vfi h LYS 38 Ca -0.10 0.00 0.11 0.00 -1.06 0.00 0.00 60.65 59.60 1vfi h LYS 38 Cb 0.76 0.00 -0.12 0.00 -0.57 0.00 0.00 32.23 32.30 1vfi h LYS 38 CO 0.16 -0.00 -0.32 1.15 -2.06 0.00 0.00 179.45 178.38 1vfi h THR 39 N -0.00 0.19 -0.11 -0.16 2.02 -1.98 0.80 112.91 113.66 1vfi h THR 39 Ca 0.01 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1vfi h THR 39 Cb 0.02 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 66.59 1vfi h THR 39 CO -0.03 0.00 -0.22 0.00 0.37 0.00 0.00 175.52 175.64 1vfi h ARG 41 N -0.19 -0.22 -0.55 0.00 3.08 0.15 1.52 114.38 118.18 1vfi h ARG 41 Ca 0.02 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.19 1vfi h ARG 41 Cb 0.25 0.05 -0.11 0.00 0.08 0.00 0.00 29.97 30.24 1vfi h ARG 41 CO -0.20 -0.15 -0.28 0.00 -1.07 0.00 0.00 179.97 178.27 1vfi h ARG 42 N -0.23 -0.14 0.00 0.04 3.08 0.15 1.65 114.38 118.94 1vfi h ARG 42 Ca 0.18 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 1vfi h ARG 42 Cb 0.51 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 1vfi h ARG 42 CO -0.51 -0.09 -0.16 -0.91 -1.07 0.00 0.00 179.97 177.23 1vfi h ASN 43 N -0.14 0.00 1.51 7.04 2.35 0.17 -1.79 115.58 124.71 1vfi h ASN 43 Ca 0.24 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.94 1vfi h ASN 43 Cb 0.52 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 1vfi h ASN 43 CO -0.63 0.16 -0.23 0.00 -1.65 0.00 0.00 177.43 175.08 1vfi h LYS 45 N 0.00 -0.03 -0.00 0.00 3.11 0.28 -3.16 116.57 116.77 1vfi h LYS 45 Ca -0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1vfi h LYS 45 Cb 1.05 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.28 1vfi h LYS 45 CO 0.03 0.65 -0.01 1.63 -2.81 0.00 0.00 179.45 178.95 1vfi n LYS 46 N -4.76 0.38 0.31 1.90 4.76 -1.03 -0.42 118.16 119.30 1vfi n LYS 46 Ca -0.09 -0.01 -0.12 0.00 -2.87 0.00 0.00 58.31 55.22 1vfi n LYS 46 Cb 0.35 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.98 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 3.38 -0.96 0.00 7.82 0.00 -0.72 -3.40 119.26 125.38 1vfi h ALA 47 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1vfi h ALA 47 Cb 0.32 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1vfi h ALA 47 CO 0.00 -0.90 -0.91 -3.47 0.00 0.00 0.00 179.25 173.97 1vfi n ASP 48 N -4.71 4.32 -2.42 0.00 2.03 -1.23 -4.73 116.55 109.80 1vfi n ASP 48 Ca -0.10 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.00 1vfi n ASP 48 Cb 0.32 0.34 -0.12 0.00 -0.72 0.00 0.00 41.12 40.93 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 3.60 0.00 -0.02 0.00 5.08 -1.74 -2.93 114.58 118.57 1vfi h GLU 50 Ca 0.41 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.57 1vfi h GLU 50 Cb 1.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1vfi h GLU 50 CO 0.73 0.62 -0.82 -1.00 -1.00 0.00 0.00 179.01 177.53 1vfi h PRO 51 N -1.00 0.28 0.16 2.33 0.13 -1.91 -3.07 132.00 128.91 1vfi h PRO 51 Ca -0.07 -0.27 -0.01 0.00 -0.87 0.00 0.00 66.00 64.78 1vfi h PRO 51 Cb 0.74 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1vfi h PRO 51 CO -0.04 0.96 -0.08 1.96 -0.23 0.00 0.00 178.00 180.57 1vfi h GLN 52 N 0.17 -0.21 -0.73 0.86 4.20 -1.84 -0.15 115.11 117.42 1vfi h GLN 52 Ca -0.04 0.01 0.19 0.00 0.06 0.00 0.00 58.65 58.87 1vfi h GLN 52 Cb 1.43 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 29.21 1vfi h GLN 52 CO 0.13 0.05 0.51 0.22 -0.67 0.00 0.00 178.83 179.07 1vfi h ASP 53 N -0.45 0.14 0.32 1.46 1.82 -1.58 -0.77 116.42 117.36 1vfi h ASP 53 Ca -0.02 0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.61 1vfi h ASP 53 Cb 0.35 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.35 1vfi h ASP 53 CO 0.04 0.06 -0.15 0.11 -1.61 0.00 0.00 179.24 177.69 1vfi h LYS 54 N 0.14 -0.41 -1.00 0.28 1.57 -1.35 -2.94 116.57 112.86 1vfi h LYS 54 Ca 0.35 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 59.28 1vfi h LYS 54 Cb 1.19 0.09 -0.14 0.00 0.08 0.00 0.00 32.23 33.46 1vfi h LYS 54 CO -0.05 -0.27 -0.51 0.28 -0.57 0.00 0.00 179.45 178.32 1vfi n VAL 55 N -4.34 -0.62 -0.26 0.50 0.31 -0.11 -0.06 118.33 113.75 1vfi n VAL 55 Ca -0.05 2.39 -0.09 0.00 -0.01 0.00 0.00 64.34 66.58 1vfi n VAL 55 Cb 0.17 -3.03 -0.08 0.00 -0.91 0.00 0.00 33.84 30.00 1vfi n VAL 55 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vfi h ASP 57 N -0.09 -0.50 -0.78 0.00 3.58 -0.29 0.31 116.42 118.65 1vfi h ASP 57 Ca 0.10 0.25 0.10 0.00 0.42 0.00 0.00 57.03 57.89 1vfi h ASP 57 Cb 0.35 0.45 -0.12 0.00 1.72 0.00 0.00 39.33 41.73 1vfi h ASP 57 CO -0.63 -0.27 -0.50 0.00 -2.88 0.00 0.00 179.24 174.95 1vfi h ALA 58 N 1.86 -0.37 -0.77 -0.78 0.00 0.23 0.73 119.26 120.16 1vfi h ALA 58 Ca 0.50 0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.67 1vfi h ALA 58 Cb 0.92 1.14 -0.14 0.00 0.00 0.00 0.00 17.79 19.71 1vfi h ALA 58 CO -0.83 -0.87 -0.30 0.00 0.00 0.00 0.00 179.25 177.26 1vfi h ARG 60 N -0.06 0.69 -0.17 0.00 3.08 0.35 1.12 114.38 119.39 1vfi h ARG 60 Ca 0.32 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 60.19 1vfi h ARG 60 Cb 0.58 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1vfi h ARG 60 CO -0.81 0.48 -0.39 1.98 -1.07 0.00 0.00 179.97 180.16 1vfi h MET 61 N 0.71 0.57 0.14 0.04 4.05 0.76 -1.10 114.93 120.09 1vfi h MET 61 Ca 0.19 -0.38 -0.01 0.00 -0.28 0.00 0.00 59.70 59.22 1vfi h MET 61 Cb -0.04 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 30.81 1vfi h MET 61 CO -0.04 0.99 -0.07 0.87 0.23 0.00 0.00 176.91 178.90 1vfi h LYS 62 N 0.22 -0.18 -0.28 0.39 6.56 0.29 -3.02 116.57 120.56 1vfi h LYS 62 Ca 0.00 0.01 0.06 0.00 -1.06 0.00 0.00 60.65 59.67 1vfi h LYS 62 Cb 0.99 0.04 -0.08 0.00 -0.57 0.00 0.00 32.23 32.61 1vfi h LYS 62 CO 0.08 0.28 -0.34 0.00 -2.06 0.00 0.00 179.45 177.42 1vfi n HIS 64 N -5.41 -0.14 -0.02 0.00 -0.00 -0.41 0.19 115.22 109.41 1vfi n HIS 64 Ca -0.01 1.23 -0.12 0.00 -0.00 0.00 0.00 57.72 58.82 1vfi n HIS 64 Cb 0.33 -0.76 -0.08 0.00 -0.00 0.00 0.00 29.99 29.48 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 0.12 -0.33 1.57 3.64 -1.00 0.69 116.57 121.27 1vfi h LYS 65 Ca 0.28 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.66 1vfi h LYS 65 Cb 0.53 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.26 1vfi h LYS 65 CO -0.97 0.44 -0.53 0.00 -2.27 0.00 0.00 179.45 176.12 1vfi h ALA 66 N 0.68 -0.75 -0.42 5.00 0.00 0.55 1.50 119.26 125.82 1vfi h ALA 66 Ca 0.02 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1vfi h ALA 66 Cb 0.39 1.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 1vfi h ALA 66 CO 0.01 -1.03 0.19 0.00 0.00 0.00 0.00 179.25 178.41 1vfi h ARG 68 N 0.39 0.44 0.00 0.00 2.43 0.15 0.48 114.38 118.27 1vfi h ARG 68 Ca 0.19 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1vfi h ARG 68 Cb 0.12 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1vfi h ARG 68 CO -0.15 0.29 0.00 0.00 -1.51 0.00 0.00 179.97 178.60 1vfi h ALA 69 N 1.47 1.00 -0.65 2.80 0.00 0.31 -1.63 119.26 122.57 1vfi h ALA 69 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1vfi h ALA 69 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1vfi h ALA 69 CO -0.34 0.00 0.00 0.00 0.00 0.00 0.00 179.25 178.91 1vfi n ALA 70 N -2.00 -0.15 0.00 0.00 0.00 0.36 -4.66 120.51 114.05 1vfi n ALA 70 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.48 1vfi n ALA 70 Cb 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.92 1vfi n ALA 70 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1vfi h ASN 71 N 0.00 -0.01 -2.94 0.00 2.35 -0.81 -3.47 115.58 110.70 1vfi h ASN 71 Ca 0.00 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.42 1vfi h ASN 71 Cb 0.00 0.00 0.18 0.00 0.05 0.00 0.00 38.32 38.55 1vfi h ASN 71 CO 0.00 0.04 -0.01 0.00 -1.65 0.00 0.00 177.43 175.81 1vfi n ALA 73 N -5.00 0.00 0.09 0.00 0.00 -1.17 -4.08 120.51 110.36 1vfi n ALA 73 Ca -0.18 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.04 1vfi n ALA 73 Cb 0.52 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.82 1vfi n ALA 73 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1vfi h SER 74 N 0.00 0.65 -0.24 0.00 0.87 -1.91 -3.27 113.55 109.65 1vfi h SER 74 Ca 0.00 -0.86 0.07 0.00 -1.23 0.00 0.00 61.79 59.77 1vfi h SER 74 Cb 0.00 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 1vfi h SER 74 CO 0.00 1.71 0.33 -0.33 -0.53 0.00 0.00 176.83 178.01 1vfi h GLU 75 N 0.11 0.00 -4.43 2.24 4.39 -1.93 -3.31 114.58 111.65 1vfi h GLU 75 Ca -0.30 0.00 -0.72 0.00 0.34 0.00 0.00 59.36 58.68 1vfi h GLU 75 Cb 2.11 0.00 -0.27 0.00 -0.10 0.00 0.00 28.75 30.49 1vfi h GLU 75 CO 0.21 0.00 -0.45 0.00 -1.16 0.00 0.00 179.01 177.61 1vfi s PRO 77 N 1.45 -0.27 0.34 0.00 0.04 -1.25 -4.85 135.00 130.46 1vfi s PRO 77 Ca 0.03 -0.24 -0.27 0.00 0.04 0.00 0.00 61.00 60.56 1vfi s PRO 77 Cb -0.23 -1.72 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 1vfi s PRO 77 CO 0.03 -3.05 1.15 0.21 0.04 0.00 0.00 177.00 175.38 1vfi s LYS 78 N -5.65 4.33 0.00 4.56 2.47 -1.26 -3.40 119.74 120.79 1vfi s LYS 78 Ca 0.72 1.85 0.00 0.00 -1.56 0.00 0.00 55.97 56.99 1vfi s LYS 78 Cb -0.07 -2.91 0.00 0.00 -1.46 0.00 0.00 37.83 33.39 1vfi s LYS 78 CO 0.54 -0.08 0.00 1.58 0.16 0.00 0.00 175.35 177.55 1vfi n HIS 79 N 0.58 0.00 -1.52 4.03 -0.00 -1.26 -4.92 115.22 112.13 1vfi n HIS 79 Ca 0.02 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.90 1vfi n HIS 79 Cb 0.45 0.00 0.10 0.00 -0.12 0.00 0.00 29.99 30.42 1vfi n HIS 79 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 1vfi s GLU 80 N 0.00 1.98 0.00 1.57 8.01 -1.22 -4.96 118.70 124.09 1vfi s GLU 80 Ca 0.00 0.65 0.00 0.00 0.01 0.00 0.00 54.97 55.63 1vfi s GLU 80 Cb 0.00 -1.91 0.00 0.00 -4.31 0.00 0.00 34.13 27.91 1vfi s GLU 80 CO 0.00 -1.69 0.00 -2.39 0.01 0.00 0.00 175.26 171.19 1vfi n HIS 81 N -3.48 -1.87 -1.41 1.61 1.44 -1.26 -4.44 115.22 105.81 1vfi n HIS 81 Ca 0.07 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.51 1vfi n HIS 81 Cb 0.56 0.45 -0.08 0.00 0.12 0.00 0.00 29.99 31.05 1vfi n HIS 81 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1vfi n LYS 82 N -2.40 2.98 -3.19 -1.40 5.02 -1.26 -4.79 118.16 113.11 1vfi n LYS 82 Ca 0.00 -2.13 -0.39 0.00 -2.02 0.00 0.00 58.31 53.77 1vfi n LYS 82 Cb 0.00 -2.32 -0.06 0.00 -0.02 0.00 0.00 35.03 32.63 1vfi n LYS 82 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1vfi s SER 83 N 1.22 7.08 0.24 4.39 1.04 -1.26 -4.92 113.70 121.48 1vfi s SER 83 Ca 0.63 1.28 -0.05 0.00 0.48 0.00 0.00 55.95 58.29 1vfi s SER 83 Cb 0.28 -2.39 0.37 0.00 0.10 0.00 0.00 66.02 64.39 1vfi s SER 83 CO -0.10 0.18 1.81 0.44 0.98 0.00 0.00 173.24 176.55 1vfi h ASP 84 N 5.04 0.65 0.34 7.02 5.19 -1.92 1.13 116.42 133.87 1vfi h ASP 84 Ca -0.47 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 1vfi h ASP 84 Cb 1.21 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.64 1vfi h ASP 84 CO 0.67 0.38 0.00 0.00 -3.12 0.00 0.00 179.24 177.17 1vfi h THR 85 N 0.78 0.00 0.05 0.35 1.03 -1.93 0.11 112.91 113.30 1vfi h THR 85 Ca 0.38 -0.16 -0.37 0.00 -0.01 0.00 0.00 66.41 66.26 1vfi h THR 85 Cb 0.33 1.03 -0.04 0.00 -1.07 0.00 0.00 68.15 68.39 1vfi h THR 85 CO -0.24 0.00 -2.10 0.00 -0.01 0.00 0.00 175.52 173.18 1vfi h ARG 87 N -0.32 0.51 -0.07 0.00 3.08 0.16 0.38 114.38 118.12 1vfi h ARG 87 Ca -0.50 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 59.37 1vfi h ARG 87 Cb 1.80 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.72 1vfi h ARG 87 CO -0.10 0.34 -0.62 0.00 -1.07 0.00 0.00 179.97 178.52 1vfi h ALA 88 N 1.75 0.84 0.33 0.04 0.00 -0.96 0.04 119.26 121.30 1vfi h ALA 88 Ca 0.15 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1vfi h ALA 88 Cb -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1vfi h ALA 88 CO -0.03 0.74 -0.16 0.00 0.00 0.00 0.00 179.25 179.80 1vfi h MET 90 N -1.07 0.00 -0.00 0.00 3.00 -0.40 0.88 114.93 117.34 1vfi h MET 90 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.66 1vfi h MET 90 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.02 1vfi h MET 90 CO 0.07 0.00 -0.03 1.17 0.00 0.00 0.00 176.91 178.12 1vfi n LYS 91 N -3.62 0.31 -0.02 -0.10 4.81 -0.00 0.49 118.16 120.03 1vfi n LYS 91 Ca -0.00 -0.02 -0.22 0.00 -0.87 0.00 0.00 58.31 57.20 1vfi n LYS 91 Cb 0.25 -1.50 -0.13 0.00 0.02 0.00 0.00 35.03 33.67 1vfi n LYS 91 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1vfi h THR 92 N 0.06 0.79 0.00 3.15 2.02 0.10 -3.43 112.91 115.60 1vfi h THR 92 Ca 0.00 -2.32 -0.05 0.00 0.77 0.00 0.00 66.41 64.81 1vfi h THR 92 Cb 0.36 2.49 -0.01 0.00 -1.74 0.00 0.00 68.15 69.26 1vfi h THR 92 CO 0.00 0.72 -0.77 -0.46 0.37 0.00 0.00 175.52 175.38 1vfi n ASN 93 N -3.80 0.87 -3.40 4.18 0.23 -1.10 -4.77 115.26 107.48 1vfi n ASN 93 Ca -0.30 0.13 -0.32 0.00 -0.53 0.00 0.00 54.58 53.55 1vfi n ASN 93 Cb 0.93 -0.31 -0.04 0.00 -2.08 0.00 0.00 39.78 38.29 1vfi n ASN 93 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33