#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 -0.43 -3.13 4.38 7.64 -1.26 -5.08 113.62 115.75 1vfi n SER 2 Ca 0.00 0.44 -0.14 0.00 1.01 0.00 0.00 58.87 60.18 1vfi n SER 2 Cb 0.00 0.76 0.01 0.00 -1.01 0.00 0.00 64.21 63.97 1vfi n SER 2 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1vfi n GLU 3 N -2.86 -1.96 -3.96 1.43 2.13 -1.26 -4.98 120.64 109.19 1vfi n GLU 3 Ca 0.00 1.70 -0.30 0.00 0.66 0.00 0.00 57.16 59.22 1vfi n GLU 3 Cb 0.00 -4.64 -0.14 0.00 0.27 0.00 0.00 31.44 26.92 1vfi n GLU 3 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1vfi s PHE 4 N -2.52 3.30 0.04 4.31 2.19 -1.26 -5.07 117.98 118.98 1vfi s PHE 4 Ca 0.19 -3.06 -0.23 0.00 0.33 0.00 0.00 56.93 54.16 1vfi s PHE 4 Cb -0.04 -2.80 0.05 0.00 -1.31 0.00 0.00 43.02 38.93 1vfi s PHE 4 CO 0.80 -0.82 0.53 0.00 1.83 0.00 0.00 175.22 177.56 1vfi s ALA 5 N 0.17 -1.35 0.48 11.12 0.00 -1.26 -5.16 121.76 125.76 1vfi s ALA 5 Ca 0.15 0.63 -0.20 0.00 0.00 0.00 0.00 51.96 52.54 1vfi s ALA 5 Cb -0.23 0.37 -0.08 0.00 0.00 0.00 0.00 23.12 23.17 1vfi s ALA 5 CO -0.03 -0.50 1.04 -1.25 0.00 0.00 0.00 175.76 175.02 1vfi s PRO 6 N -2.38 3.80 0.98 0.00 0.04 -1.26 -4.99 135.00 131.20 1vfi s PRO 6 Ca -0.06 1.37 -0.16 0.00 0.04 0.00 0.00 61.00 62.19 1vfi s PRO 6 Cb -0.01 -2.10 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 1vfi s PRO 6 CO -0.01 -0.43 -0.27 0.28 0.04 0.00 0.00 177.00 176.61 1vfi n VAL 7 N -0.95 0.00 0.00 -0.36 0.31 -1.24 -4.95 118.33 111.13 1vfi n VAL 7 Ca 0.09 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1vfi n VAL 7 Cb 0.52 -0.30 0.00 0.00 -0.91 0.00 0.00 33.84 33.15 1vfi n VAL 7 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1vfi n ASP 8 N 1.13 1.19 0.00 4.52 5.75 -1.26 -4.37 116.55 123.51 1vfi n ASP 8 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.80 1vfi n ASP 8 Cb 0.56 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 1vfi n ASP 8 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1vfi h LYS 10 N 0.00 -0.06 0.49 0.00 3.11 -1.95 1.41 116.57 119.57 1vfi h LYS 10 Ca 0.00 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.82 1vfi h LYS 10 Cb 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.25 1vfi h LYS 10 CO 0.00 -0.04 -0.24 0.78 -2.81 0.00 0.00 179.45 177.14 1vfi h GLY 11 N -0.07 -0.69 -0.97 5.01 0.00 -2.00 -3.05 103.07 101.30 1vfi h GLY 11 Ca 0.17 0.25 0.41 0.00 0.00 0.00 0.00 47.33 48.17 1vfi h GLY 11 CO -0.89 -0.25 0.85 1.46 0.00 0.00 0.00 176.54 177.72 1vfi h GLN 12 N -1.04 0.12 -3.37 4.80 1.08 -1.70 -1.75 115.11 113.24 1vfi h GLN 12 Ca -0.07 -0.01 -0.68 0.00 -1.45 0.00 0.00 58.65 56.44 1vfi h GLN 12 Cb 0.59 -0.03 0.01 0.00 -0.05 0.00 0.00 27.48 28.00 1vfi h GLN 12 CO 0.11 0.08 3.59 0.00 -0.95 0.00 0.00 178.83 181.66 1vfi n THR 14 N 4.14 1.57 -0.07 0.00 -1.04 -0.66 -3.29 114.28 114.94 1vfi n THR 14 Ca 0.69 -0.62 -0.12 0.00 -2.04 0.00 0.00 64.05 61.96 1vfi n THR 14 Cb 0.29 -1.45 -0.06 0.00 -1.82 0.00 0.00 70.33 67.29 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 1.30 0.00 12.58 2.02 -1.87 1.44 112.91 128.40 1vfi h THR 15 Ca -0.53 -1.11 0.00 0.00 0.77 0.00 0.00 66.41 65.54 1vfi h THR 15 Cb 1.96 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 70.01 1vfi h THR 15 CO -0.03 0.33 0.00 1.55 0.37 0.00 0.00 175.52 177.74 1vfi h PRO 16 N 0.08 0.00 -0.03 6.66 0.13 -1.89 -2.72 132.00 134.23 1vfi h PRO 16 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1vfi h PRO 16 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 1vfi h PRO 16 CO 0.02 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.79 1vfi h GLU 18 N 0.23 -0.35 0.00 0.00 4.81 0.23 -0.67 114.58 118.84 1vfi h GLU 18 Ca 0.00 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 1vfi h GLU 18 Cb 1.02 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1vfi h GLU 18 CO 0.03 -0.02 -0.42 -1.00 -0.73 0.00 0.00 179.01 176.86 1vfi h PRO 19 N -0.96 0.00 0.37 0.92 0.13 -1.83 -2.45 132.00 128.18 1vfi h PRO 19 Ca -0.04 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.08 1vfi h PRO 19 Cb 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.62 1vfi h PRO 19 CO 0.06 0.42 -0.18 1.25 -0.23 0.00 0.00 178.00 179.33 1vfi h LEU 20 N 0.00 -0.42 -0.32 1.56 7.12 -1.82 -2.44 115.31 118.98 1vfi h LEU 20 Ca -0.00 -0.08 0.07 0.00 0.13 0.00 0.00 57.88 57.99 1vfi h LEU 20 Cb 1.08 0.11 -0.06 0.00 -0.53 0.00 0.00 40.66 41.25 1vfi h LEU 20 CO 0.06 0.03 -0.10 0.74 -0.13 0.00 0.00 178.44 179.03 1vfi h THR 21 N -1.06 0.63 -0.77 1.05 2.02 -1.18 -0.23 112.91 113.38 1vfi h THR 21 Ca -0.05 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.29 1vfi h THR 21 Cb 0.48 0.63 -0.11 0.00 -1.74 0.00 0.00 68.15 67.42 1vfi h THR 21 CO 0.08 0.00 0.26 0.00 0.37 0.00 0.00 175.52 176.23 1vfi h ALA 22 N 1.28 1.07 0.48 6.16 0.00 -1.52 0.72 119.26 127.44 1vfi h ALA 22 Ca 0.16 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1vfi h ALA 22 Cb 0.27 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1vfi h ALA 22 CO -0.35 -0.28 -0.42 0.00 0.00 0.00 0.00 179.25 178.20 1vfi h LYS 24 N -0.90 0.06 0.06 0.00 1.57 0.01 -0.96 116.57 116.42 1vfi h LYS 24 Ca -0.05 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1vfi h LYS 24 Cb 0.78 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 1vfi h LYS 24 CO -0.03 0.04 -0.11 0.93 -0.57 0.00 0.00 179.45 179.70 1vfi h GLU 25 N 0.06 -0.18 -0.99 3.15 4.39 0.91 0.76 114.58 122.67 1vfi h GLU 25 Ca 0.21 0.01 0.41 0.00 0.34 0.00 0.00 59.36 60.33 1vfi h GLU 25 Cb 0.31 0.04 -0.17 0.00 -0.10 0.00 0.00 28.75 28.83 1vfi h GLU 25 CO -0.39 -0.12 0.54 1.17 -1.16 0.00 0.00 179.01 179.06 1vfi n LYS 26 N -3.05 -0.06 0.13 2.33 0.00 0.14 0.74 118.16 118.39 1vfi n LYS 26 Ca -0.02 1.34 -0.05 0.00 0.00 0.00 0.00 58.31 59.58 1vfi n LYS 26 Cb 0.09 -2.43 -0.03 0.00 0.00 0.00 0.00 35.03 32.67 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 -1.68 0.60 -0.05 0.00 0.00 0.41 1.22 119.26 119.77 1vfi h ALA 28 Ca -0.04 0.37 0.04 0.00 0.00 0.00 0.00 54.91 55.28 1vfi h ALA 28 Cb 0.27 0.74 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 1vfi h ALA 28 CO 0.06 -0.40 -0.36 0.93 0.00 0.00 0.00 179.25 179.48 1vfi h GLU 29 N -0.00 -0.47 0.00 0.00 4.39 0.31 0.12 114.58 118.94 1vfi h GLU 29 Ca 0.45 0.03 -0.03 0.00 0.34 0.00 0.00 59.36 60.16 1vfi h GLU 29 Cb 0.69 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1vfi h GLU 29 CO -0.99 -0.31 -0.14 1.03 -1.16 0.00 0.00 179.01 177.45 1vfi h SER 30 N -0.48 0.00 -2.00 1.42 0.87 0.82 -2.50 113.55 111.68 1vfi h SER 30 Ca 0.07 0.00 -0.72 0.00 -1.23 0.00 0.00 61.79 59.91 1vfi h SER 30 Cb 0.59 0.00 -0.32 0.00 -0.44 0.00 0.00 62.40 62.23 1vfi h SER 30 CO -0.32 0.14 0.48 0.00 -0.53 0.00 0.00 176.83 176.59 1vfi h GLU 32 N 3.22 0.00 -2.15 0.00 4.39 -0.63 -3.39 114.58 116.02 1vfi h GLU 32 Ca 0.45 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.57 1vfi h GLU 32 Cb 0.34 0.00 -0.42 0.00 -0.10 0.00 0.00 28.75 28.57 1vfi h GLU 32 CO 1.17 0.75 -0.68 0.25 -1.16 0.00 0.00 179.01 179.34 1vfi n THR 33 N -4.65 2.85 -3.98 1.13 -2.24 -1.26 -5.03 114.28 101.09 1vfi n THR 33 Ca -0.08 -5.43 -0.29 0.00 -2.27 0.00 0.00 64.05 55.98 1vfi n THR 33 Cb 0.36 -1.33 -0.05 0.00 -2.10 0.00 0.00 70.33 67.22 1vfi n THR 33 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1vfi s SER 34 N -3.45 6.03 0.04 3.42 0.15 -1.26 -5.03 113.70 113.60 1vfi s SER 34 Ca 0.48 0.12 -0.10 0.00 0.70 0.00 0.00 55.95 57.16 1vfi s SER 34 Cb 0.30 -1.76 -0.03 0.00 -1.71 0.00 0.00 66.02 62.82 1vfi s SER 34 CO -0.14 0.13 1.17 0.00 1.20 0.00 0.00 173.24 175.59 1vfi h ALA 35 N 2.84 -0.38 -3.05 5.45 0.00 -1.97 -3.28 119.26 118.86 1vfi h ALA 35 Ca -0.47 0.01 -0.71 0.00 0.00 0.00 0.00 54.91 53.75 1vfi h ALA 35 Cb 1.17 0.90 -0.34 0.00 0.00 0.00 0.00 17.79 19.53 1vfi h ALA 35 CO 0.70 -0.48 -0.41 -0.51 0.00 0.00 0.00 179.25 178.56 1vfi s ASP 36 N -3.50 5.40 0.08 0.00 1.01 -1.26 -4.94 116.67 113.46 1vfi s ASP 36 Ca -0.04 -2.41 -0.26 0.00 0.71 0.00 0.00 52.55 50.55 1vfi s ASP 36 Cb 0.03 -1.89 -0.16 0.00 1.01 0.00 0.00 42.92 41.90 1vfi s ASP 36 CO 0.19 -0.49 1.70 0.11 0.21 0.00 0.00 175.17 176.88 1vfi h LYS 37 N 7.65 -0.29 -0.32 8.23 1.57 -1.89 0.60 116.57 132.13 1vfi h LYS 37 Ca -0.08 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1vfi h LYS 37 Cb 1.01 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 33.30 1vfi h LYS 37 CO 0.73 -0.19 -0.48 0.87 -0.57 0.00 0.00 179.45 179.82 1vfi h LYS 38 N -0.31 -0.40 0.28 3.15 1.57 -1.93 0.45 116.57 119.37 1vfi h LYS 38 Ca -0.03 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1vfi h LYS 38 Cb 0.23 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1vfi h LYS 38 CO 0.05 -0.27 -0.20 1.15 -0.57 0.00 0.00 179.45 179.61 1vfi h THR 39 N -0.42 0.57 -0.46 -0.16 2.02 -1.94 0.50 112.91 113.02 1vfi h THR 39 Ca 0.09 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.32 1vfi h THR 39 Cb 0.61 0.57 -0.07 0.00 -1.74 0.00 0.00 68.15 67.52 1vfi h THR 39 CO -0.53 0.00 -0.41 0.00 0.37 0.00 0.00 175.52 174.95 1vfi h ARG 41 N -0.18 0.15 -0.41 0.00 3.08 0.03 0.55 114.38 117.60 1vfi h ARG 41 Ca 0.08 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.20 1vfi h ARG 41 Cb 0.38 -0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.31 1vfi h ARG 41 CO -0.53 0.10 -0.24 0.00 -1.07 0.00 0.00 179.97 178.24 1vfi h ARG 42 N 0.16 -0.16 -0.40 0.04 -0.00 0.24 1.34 114.38 115.60 1vfi h ARG 42 Ca 0.18 0.01 0.01 0.00 -0.50 0.00 0.00 59.98 59.68 1vfi h ARG 42 Cb 0.22 0.04 -0.03 0.00 0.00 0.00 0.00 29.97 30.20 1vfi h ARG 42 CO -0.25 -0.10 0.24 -0.91 0.00 0.00 0.00 179.97 178.95 1vfi h ASN 43 N -0.16 0.40 0.18 7.04 2.35 0.14 0.90 115.58 126.42 1vfi h ASN 43 Ca 0.20 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.93 1vfi h ASN 43 Cb 0.47 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 1vfi h ASN 43 CO -0.51 0.29 -0.09 0.00 -1.65 0.00 0.00 177.43 175.48 1vfi h LYS 45 N 0.00 0.56 -0.00 0.00 3.64 0.41 -2.25 116.57 118.93 1vfi h LYS 45 Ca -0.00 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1vfi h LYS 45 Cb 0.20 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1vfi h LYS 45 CO 0.01 0.79 -0.46 1.63 -2.27 0.00 0.00 179.45 179.16 1vfi n LYS 46 N -4.09 0.46 0.38 1.90 4.76 -0.07 -2.41 118.16 119.09 1vfi n LYS 46 Ca -0.01 -0.30 -0.16 0.00 -2.87 0.00 0.00 58.31 54.98 1vfi n LYS 46 Cb 0.45 -1.49 -0.07 0.00 -1.84 0.00 0.00 35.03 32.07 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 3.36 -0.99 0.00 7.82 0.00 0.35 -3.43 119.26 126.37 1vfi h ALA 47 Ca 0.00 -0.22 -0.22 0.00 0.00 0.00 0.00 54.91 54.47 1vfi h ALA 47 Cb 0.53 0.38 -0.15 0.00 0.00 0.00 0.00 17.79 18.56 1vfi h ALA 47 CO 0.00 -0.93 -0.33 -3.47 0.00 0.00 0.00 179.25 174.52 1vfi n ASP 48 N -5.44 -1.93 -1.04 0.00 2.03 -1.19 -4.92 116.55 104.07 1vfi n ASP 48 Ca -0.12 -2.57 -0.01 0.00 0.52 0.00 0.00 54.79 52.60 1vfi n ASP 48 Cb 0.39 1.13 -0.02 0.00 -0.72 0.00 0.00 41.12 41.91 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 0.34 0.01 0.00 0.00 4.39 -1.78 -2.00 114.58 115.54 1vfi h GLU 50 Ca -0.30 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.26 1vfi h GLU 50 Cb 1.52 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.15 1vfi h GLU 50 CO -0.08 0.91 -0.56 -1.00 -1.16 0.00 0.00 179.01 177.12 1vfi h PRO 51 N -0.88 0.00 0.13 2.33 0.13 -1.91 -2.87 132.00 128.93 1vfi h PRO 51 Ca -0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1vfi h PRO 51 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1vfi h PRO 51 CO 0.01 0.56 -0.06 1.96 -0.23 0.00 0.00 178.00 180.23 1vfi h GLN 52 N 0.00 -0.16 -0.60 0.86 4.20 -1.90 -1.79 115.11 115.71 1vfi h GLN 52 Ca -0.01 0.01 0.15 0.00 0.06 0.00 0.00 58.65 58.86 1vfi h GLN 52 Cb 1.18 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.96 1vfi h GLN 52 CO 0.07 0.31 0.42 0.22 -0.67 0.00 0.00 178.83 179.18 1vfi h ASP 53 N -0.79 0.14 0.50 1.46 3.58 -1.42 -1.60 116.42 118.29 1vfi h ASP 53 Ca -0.02 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 1vfi h ASP 53 Cb 0.55 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1vfi h ASP 53 CO 0.03 0.08 -0.24 0.11 -2.88 0.00 0.00 179.24 176.33 1vfi h LYS 54 N 0.15 -0.65 -0.76 0.28 1.57 -1.44 -2.81 116.57 112.90 1vfi h LYS 54 Ca 0.29 0.04 0.07 0.00 -1.87 0.00 0.00 60.65 59.18 1vfi h LYS 54 Cb 0.93 0.15 -0.09 0.00 0.08 0.00 0.00 32.23 33.29 1vfi h LYS 54 CO -0.04 -0.38 -0.47 0.28 -0.57 0.00 0.00 179.45 178.27 1vfi h VAL 55 N -1.11 0.00 -0.91 0.50 2.07 -0.40 0.77 116.25 117.17 1vfi h VAL 55 Ca -0.07 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.62 1vfi h VAL 55 Cb 0.57 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.18 1vfi h VAL 55 CO 0.11 0.00 -0.29 0.00 0.02 0.00 0.00 177.57 177.41 1vfi h ASP 57 N -0.02 -1.04 -0.66 0.00 3.58 0.73 0.10 116.42 119.12 1vfi h ASP 57 Ca 0.39 0.17 0.12 0.00 0.42 0.00 0.00 57.03 58.13 1vfi h ASP 57 Cb 0.64 0.47 -0.12 0.00 1.72 0.00 0.00 39.33 42.03 1vfi h ASP 57 CO -0.93 -0.34 -0.28 0.00 -2.88 0.00 0.00 179.24 174.81 1vfi h ALA 58 N 0.60 0.15 0.28 -0.78 0.00 0.25 1.38 119.26 121.13 1vfi h ALA 58 Ca 0.14 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1vfi h ALA 58 Cb 0.54 0.71 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1vfi h ALA 58 CO -0.45 -0.58 -0.45 0.00 0.00 0.00 0.00 179.25 177.77 1vfi h ARG 60 N -0.78 0.00 0.12 0.00 3.08 0.88 0.46 114.38 118.15 1vfi h ARG 60 Ca -0.03 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.75 1vfi h ARG 60 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1vfi h ARG 60 CO -0.15 0.00 -1.23 1.98 -1.07 0.00 0.00 179.97 179.51 1vfi h MET 61 N 0.00 0.25 0.20 0.04 4.05 0.43 -2.89 114.93 117.02 1vfi h MET 61 Ca 0.30 -0.43 -0.01 0.00 -0.28 0.00 0.00 59.70 59.27 1vfi h MET 61 Cb 1.30 0.16 0.00 0.00 -0.80 0.00 0.00 31.60 32.27 1vfi h MET 61 CO -0.00 1.21 -0.10 0.87 0.23 0.00 0.00 176.91 179.12 1vfi h LYS 62 N 0.07 -0.26 -1.04 0.39 1.79 0.62 -2.97 116.57 115.17 1vfi h LYS 62 Ca -0.13 0.02 0.34 0.00 -2.18 0.00 0.00 60.65 58.70 1vfi h LYS 62 Cb 1.96 0.06 -0.15 0.00 -1.58 0.00 0.00 32.23 32.52 1vfi h LYS 62 CO 0.20 -0.18 0.61 0.00 -1.08 0.00 0.00 179.45 179.00 1vfi h HIS 64 N 0.28 -0.74 -0.07 0.00 -0.00 -1.54 1.46 115.15 114.54 1vfi h HIS 64 Ca 0.74 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 61.08 1vfi h HIS 64 Cb 1.81 0.33 0.00 0.00 -0.00 0.00 0.00 27.41 29.55 1vfi h HIS 64 CO -0.01 -0.37 -0.18 -0.22 -0.00 0.00 0.00 177.93 177.16 1vfi h LYS 65 N -0.42 0.24 0.10 5.26 3.64 0.49 -2.57 116.57 123.31 1vfi h LYS 65 Ca 0.06 -0.17 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1vfi h LYS 65 Cb 0.50 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.30 1vfi h LYS 65 CO -0.24 0.78 -0.53 0.00 -2.27 0.00 0.00 179.45 177.19 1vfi h ALA 66 N 0.46 -0.98 -0.71 5.00 0.00 0.23 0.61 119.26 123.87 1vfi h ALA 66 Ca -0.00 -0.11 0.16 0.00 0.00 0.00 0.00 54.91 54.96 1vfi h ALA 66 Cb 0.79 0.91 -0.13 0.00 0.00 0.00 0.00 17.79 19.36 1vfi h ALA 66 CO 0.04 -1.12 -0.04 0.00 0.00 0.00 0.00 179.25 178.12 1vfi h ARG 68 N 0.08 0.25 0.00 0.00 2.43 -0.67 0.37 114.38 116.83 1vfi h ARG 68 Ca 0.38 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 1vfi h ARG 68 Cb 0.63 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1vfi h ARG 68 CO -0.65 0.17 0.00 0.00 -1.51 0.00 0.00 179.97 177.97 1vfi n ALA 69 N -2.35 2.57 -0.11 2.80 0.00 0.20 -1.73 120.51 121.89 1vfi n ALA 69 Ca 0.01 -0.11 -0.24 0.00 0.00 0.00 0.00 53.44 53.10 1vfi n ALA 69 Cb 0.14 -1.28 -0.11 0.00 0.00 0.00 0.00 19.45 18.19 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 -0.78 1.07 0.01 0.00 0.00 0.36 -4.82 120.51 116.36 1vfi n ALA 70 Ca 0.13 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1vfi n ALA 70 Cb 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.29 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 -4.02 0.15 -3.51 0.00 3.02 0.01 -4.84 115.26 106.07 1vfi n ASN 71 Ca -0.44 0.03 -0.39 0.00 -0.03 0.00 0.00 54.58 53.76 1vfi n ASN 71 Cb 0.87 -0.04 -0.06 0.00 -0.61 0.00 0.00 39.78 39.94 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 7.18 3.67 -0.08 0.00 0.00 -0.71 -4.01 120.51 126.57 1vfi n ALA 73 Ca 0.46 -0.50 -0.16 0.00 0.00 0.00 0.00 53.44 53.24 1vfi n ALA 73 Cb 0.35 -0.85 -0.06 0.00 0.00 0.00 0.00 19.45 18.89 1vfi n ALA 73 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1vfi n SER 74 N -1.90 1.55 -0.02 0.00 2.88 -1.26 -4.50 113.62 110.38 1vfi n SER 74 Ca 0.01 0.14 0.23 0.00 -1.33 0.00 0.00 58.87 57.92 1vfi n SER 74 Cb 0.44 -0.44 0.72 0.00 -0.75 0.00 0.00 64.21 64.18 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 -0.46 0.00 -4.42 -1.46 4.39 -1.89 -3.25 114.58 107.49 1vfi h GLU 75 Ca -0.41 0.00 -0.69 0.00 0.34 0.00 0.00 59.36 58.59 1vfi h GLU 75 Cb 1.41 0.00 -0.34 0.00 -0.10 0.00 0.00 28.75 29.72 1vfi h GLU 75 CO -0.21 0.00 -0.53 0.00 -1.16 0.00 0.00 179.01 177.10 1vfi n PRO 77 N 4.52 -1.16 -3.38 0.00 -0.04 -1.23 -4.78 135.00 128.93 1vfi n PRO 77 Ca -0.02 -0.74 -0.38 0.00 -0.04 0.00 0.00 63.50 62.33 1vfi n PRO 77 Cb 0.41 -0.58 -0.06 0.00 -0.04 0.00 0.00 33.50 33.23 1vfi n PRO 77 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1vfi s LYS 78 N -4.04 4.26 -0.14 0.54 2.36 -1.26 -4.33 119.74 117.12 1vfi s LYS 78 Ca 0.28 0.38 -0.01 0.00 -2.55 0.00 0.00 55.97 54.08 1vfi s LYS 78 Cb -0.02 -3.40 -0.01 0.00 -1.05 0.00 0.00 37.83 33.36 1vfi s LYS 78 CO 0.21 0.26 0.12 1.58 1.55 0.00 0.00 175.35 179.07 1vfi n HIS 79 N 3.34 -0.33 -3.39 4.03 -0.00 -1.26 -5.07 115.22 112.53 1vfi n HIS 79 Ca -0.09 0.12 -0.11 0.00 0.46 0.00 0.00 57.72 58.09 1vfi n HIS 79 Cb 0.52 -2.70 -0.09 0.00 -0.12 0.00 0.00 29.99 27.60 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 -3.18 0.31 0.33 1.57 8.01 -1.26 -5.01 118.70 119.46 1vfi s GLU 80 Ca 0.06 0.47 0.12 0.00 0.01 0.00 0.00 54.97 55.62 1vfi s GLU 80 Cb -0.01 -0.63 0.97 0.00 -4.31 0.00 0.00 34.13 30.15 1vfi s GLU 80 CO 0.10 -0.64 1.70 1.12 0.01 0.00 0.00 175.26 177.55 1vfi h HIS 81 N 8.21 0.98 0.00 1.61 2.07 -1.97 -3.41 115.15 122.63 1vfi h HIS 81 Ca -0.19 0.04 0.00 0.00 -2.85 0.00 0.00 60.37 57.37 1vfi h HIS 81 Cb 1.15 -0.27 0.00 0.00 2.57 0.00 0.00 27.41 30.86 1vfi h HIS 81 CO 0.13 -0.04 0.00 1.63 -3.07 0.00 0.00 177.93 176.58 1vfi n LYS 82 N -4.96 0.00 -2.63 5.12 5.02 -1.26 -5.11 118.16 114.34 1vfi n LYS 82 Ca 0.29 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.19 1vfi n LYS 82 Cb 0.85 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.81 1vfi n LYS 82 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1vfi s SER 83 N 0.00 7.35 0.19 4.39 0.15 -1.26 -4.81 113.70 119.71 1vfi s SER 83 Ca 0.00 2.06 -0.22 0.00 0.70 0.00 0.00 55.95 58.49 1vfi s SER 83 Cb 0.00 -2.61 0.11 0.00 -1.71 0.00 0.00 66.02 61.81 1vfi s SER 83 CO 0.00 -0.06 1.57 -0.78 1.20 0.00 0.00 173.24 175.17 1vfi h ASP 84 N 3.67 -1.33 -0.79 5.45 1.82 -1.99 0.64 116.42 123.89 1vfi h ASP 84 Ca -0.46 0.25 0.11 0.00 -0.39 0.00 0.00 57.03 56.53 1vfi h ASP 84 Cb 1.20 0.64 -0.08 0.00 0.68 0.00 0.00 39.33 41.78 1vfi h ASP 84 CO 0.66 -0.31 0.42 0.00 -1.61 0.00 0.00 179.24 178.40 1vfi h THR 85 N -0.15 0.84 0.14 2.25 1.03 -1.92 -0.07 112.91 115.02 1vfi h THR 85 Ca 0.23 -0.23 -0.01 0.00 -0.01 0.00 0.00 66.41 66.39 1vfi h THR 85 Cb 0.56 0.10 0.00 0.00 -1.07 0.00 0.00 68.15 67.74 1vfi h THR 85 CO -0.74 0.12 -0.07 0.00 -0.01 0.00 0.00 175.52 174.83 1vfi n ARG 87 N -2.53 -0.05 0.16 0.00 1.74 0.13 0.12 116.66 116.22 1vfi n ARG 87 Ca -0.02 1.29 -0.13 0.00 -0.77 0.00 0.00 57.85 58.22 1vfi n ARG 87 Cb 0.08 -2.37 -0.08 0.00 -1.02 0.00 0.00 32.46 29.06 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 1.82 -0.42 -1.03 7.54 0.00 -0.60 0.14 119.26 126.72 1vfi h ALA 88 Ca 0.82 -0.19 0.28 0.00 0.00 0.00 0.00 54.91 55.82 1vfi h ALA 88 Cb 2.30 0.16 -0.12 0.00 0.00 0.00 0.00 17.79 20.13 1vfi h ALA 88 CO -0.66 -0.55 0.62 0.00 0.00 0.00 0.00 179.25 178.65 1vfi h MET 90 N 0.46 -0.50 -0.01 0.00 2.07 -0.55 -2.17 114.93 114.23 1vfi h MET 90 Ca 0.67 0.03 0.00 0.00 -2.07 0.00 0.00 59.70 58.33 1vfi h MET 90 Cb 1.46 0.11 -0.00 0.00 -1.87 0.00 0.00 31.60 31.31 1vfi h MET 90 CO -0.47 -0.33 0.22 -0.22 1.07 0.00 0.00 176.91 177.18 1vfi h LYS 91 N -0.85 0.00 0.30 1.72 3.64 0.33 0.14 116.57 121.86 1vfi h LYS 91 Ca -0.05 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1vfi h LYS 91 Cb 0.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1vfi h LYS 91 CO 0.09 0.00 -0.14 1.15 -2.27 0.00 0.00 179.45 178.27 1vfi h THR 92 N 0.00 0.46 0.00 1.00 2.02 0.23 -3.45 112.91 113.17 1vfi h THR 92 Ca 0.00 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.37 1vfi h THR 92 Cb 0.45 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1vfi h THR 92 CO -0.00 0.11 -0.17 -0.46 0.37 0.00 0.00 175.52 175.37 1vfi n ASN 93 N -5.05 0.24 -3.64 4.18 0.23 -0.50 -4.89 115.26 105.83 1vfi n ASN 93 Ca -0.08 0.21 -0.43 0.00 -0.53 0.00 0.00 54.58 53.75 1vfi n ASN 93 Cb 0.25 0.06 -0.06 0.00 -2.08 0.00 0.00 39.78 37.95 1vfi n ASN 93 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33