#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 -0.61 -1.00 4.38 0.01 -1.26 -4.97 113.70 110.25 1vfi s SER 2 Ca 0.00 1.05 -0.16 0.00 1.31 0.00 0.00 55.95 58.15 1vfi s SER 2 Cb 0.00 1.72 0.02 0.00 0.21 0.00 0.00 66.02 67.98 1vfi s SER 2 CO 0.00 -0.24 0.63 -0.62 0.41 0.00 0.00 173.24 173.42 1vfi n GLU 3 N 5.41 -0.93 -3.61 12.44 1.02 -1.26 -4.92 120.64 128.78 1vfi n GLU 3 Ca -0.08 0.43 -0.01 0.00 -0.02 0.00 0.00 57.16 57.47 1vfi n GLU 3 Cb 0.50 -2.29 -0.01 0.00 -0.02 0.00 0.00 31.44 29.62 1vfi n GLU 3 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1vfi s PHE 4 N -3.23 -0.05 0.23 -0.32 2.19 -1.26 -5.17 117.98 110.37 1vfi s PHE 4 Ca 0.22 0.02 0.00 0.00 0.33 0.00 0.00 56.93 57.50 1vfi s PHE 4 Cb -0.12 0.51 0.00 0.00 -1.31 0.00 0.00 43.02 42.10 1vfi s PHE 4 CO 0.93 -0.12 0.00 0.00 1.83 0.00 0.00 175.22 177.86 1vfi n ALA 5 N -0.19 -1.41 -1.84 11.12 0.00 -1.26 -4.87 120.51 122.06 1vfi n ALA 5 Ca -0.01 0.35 -0.40 0.00 0.00 0.00 0.00 53.44 53.38 1vfi n ALA 5 Cb 0.59 -0.59 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -3.43 4.64 -0.05 0.00 0.04 -1.25 -4.96 135.00 129.98 1vfi s PRO 6 Ca 0.00 1.76 -0.30 0.00 0.04 0.00 0.00 61.00 62.51 1vfi s PRO 6 Cb 0.00 -3.22 -0.06 0.00 0.04 0.00 0.00 34.50 31.26 1vfi s PRO 6 CO 0.00 0.19 1.74 0.08 0.04 0.00 0.00 177.00 179.05 1vfi s VAL 7 N -0.89 3.45 0.17 -0.36 1.01 -1.25 -4.87 120.40 117.66 1vfi s VAL 7 Ca 0.46 0.53 -0.11 0.00 0.00 0.00 0.00 61.98 62.86 1vfi s VAL 7 Cb -0.31 -3.36 0.07 0.00 0.00 0.00 0.00 36.38 32.78 1vfi s VAL 7 CO 0.39 -0.06 1.69 0.44 0.00 0.00 0.00 175.10 177.55 1vfi h ASP 8 N 10.03 0.92 0.00 3.32 5.19 -1.96 -3.39 116.42 130.53 1vfi h ASP 8 Ca -0.41 -0.23 0.00 0.00 -0.62 0.00 0.00 57.03 55.77 1vfi h ASP 8 Cb 1.19 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.46 1vfi h ASP 8 CO 0.95 0.91 0.00 0.00 -3.12 0.00 0.00 179.24 177.98 1vfi n LYS 10 N 0.00 -0.36 0.00 0.00 4.81 -1.26 0.19 118.16 121.54 1vfi n LYS 10 Ca 0.00 1.45 -0.13 0.00 -0.87 0.00 0.00 58.31 58.76 1vfi n LYS 10 Cb 0.00 -2.14 -0.09 0.00 0.02 0.00 0.00 35.03 32.82 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 -0.00 1.16 3.14 0.00 -1.98 -2.58 103.07 102.81 1vfi h GLY 11 Ca 0.21 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.59 1vfi h GLY 11 CO -0.91 -0.00 0.37 1.46 0.00 0.00 0.00 176.54 177.46 1vfi h GLN 12 N -0.33 0.00 -2.71 4.80 1.08 -1.16 -2.43 115.11 114.35 1vfi h GLN 12 Ca -0.00 0.00 -0.75 0.00 -1.45 0.00 0.00 58.65 56.45 1vfi h GLN 12 Cb 0.33 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 27.62 1vfi h GLN 12 CO 0.00 0.00 2.26 0.00 -0.95 0.00 0.00 178.83 180.14 1vfi n THR 14 N 1.82 1.64 -0.07 0.00 -1.04 -0.92 -2.92 114.28 112.78 1vfi n THR 14 Ca 0.58 -0.66 -0.12 0.00 -2.04 0.00 0.00 64.05 61.81 1vfi n THR 14 Cb 0.26 -1.44 -0.05 0.00 -1.82 0.00 0.00 70.33 67.28 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 0.03 1.29 0.00 12.58 2.02 -1.88 0.66 112.91 127.61 1vfi h THR 15 Ca -0.47 -1.05 -0.03 0.00 0.77 0.00 0.00 66.41 65.63 1vfi h THR 15 Cb 2.01 1.57 -0.00 0.00 -1.74 0.00 0.00 68.15 69.98 1vfi h THR 15 CO 0.03 0.32 -0.16 1.55 0.37 0.00 0.00 175.52 177.63 1vfi h PRO 16 N 0.11 0.00 -0.29 6.66 0.13 -1.88 -2.94 132.00 133.79 1vfi h PRO 16 Ca 0.05 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.02 1vfi h PRO 16 Cb 0.51 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.54 1vfi h PRO 16 CO 0.02 0.16 -0.21 0.00 -0.23 0.00 0.00 178.00 177.74 1vfi h GLU 18 N 1.06 -0.02 -0.04 0.00 4.81 0.52 -2.82 114.58 118.09 1vfi h GLU 18 Ca 0.18 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.19 1vfi h GLU 18 Cb 1.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.87 1vfi h GLU 18 CO 0.32 0.76 -0.88 -1.00 -0.73 0.00 0.00 179.01 177.48 1vfi h PRO 19 N -0.91 0.47 0.78 0.92 0.13 -1.83 -3.02 132.00 128.55 1vfi h PRO 19 Ca -0.00 -0.46 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 1vfi h PRO 19 Cb 0.79 0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 1vfi h PRO 19 CO 0.00 1.10 -0.49 1.25 -0.23 0.00 0.00 178.00 179.64 1vfi h LEU 20 N 0.29 -1.24 -0.24 1.56 5.85 -1.78 0.01 115.31 119.75 1vfi h LEU 20 Ca -0.07 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1vfi h LEU 20 Cb 1.50 0.36 -0.06 0.00 0.37 0.00 0.00 40.66 42.83 1vfi h LEU 20 CO 0.16 -0.75 -0.43 0.74 -0.34 0.00 0.00 178.44 177.82 1vfi h THR 21 N -1.19 0.00 -0.59 1.05 2.02 -1.59 0.92 112.91 113.53 1vfi h THR 21 Ca -0.10 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.25 1vfi h THR 21 Cb 0.96 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 1vfi h THR 21 CO 0.10 0.00 0.63 0.00 0.37 0.00 0.00 175.52 176.62 1vfi h ALA 22 N -0.41 2.35 0.03 6.16 0.00 -1.47 0.57 119.26 126.48 1vfi h ALA 22 Ca 0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1vfi h ALA 22 Cb 0.48 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1vfi h ALA 22 CO -0.42 -0.93 -0.01 0.00 0.00 0.00 0.00 179.25 177.89 1vfi h LYS 24 N -0.62 0.01 0.03 0.00 1.57 0.29 -0.76 116.57 117.08 1vfi h LYS 24 Ca -0.00 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1vfi h LYS 24 Cb 0.58 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 1vfi h LYS 24 CO 0.01 0.01 -0.06 0.93 -0.57 0.00 0.00 179.45 179.76 1vfi h GLU 25 N 0.01 -0.10 -1.12 3.15 4.39 -1.11 1.17 114.58 120.97 1vfi h GLU 25 Ca 0.13 0.01 0.44 0.00 0.34 0.00 0.00 59.36 60.28 1vfi h GLU 25 Cb 0.20 0.02 -0.17 0.00 -0.10 0.00 0.00 28.75 28.71 1vfi h GLU 25 CO -0.28 -0.06 0.65 1.17 -1.16 0.00 0.00 179.01 179.32 1vfi n LYS 26 N -2.72 -0.05 0.21 2.33 4.81 -0.75 0.93 118.16 122.93 1vfi n LYS 26 Ca -0.01 1.33 -0.11 0.00 -0.87 0.00 0.00 58.31 58.65 1vfi n LYS 26 Cb 0.05 -2.46 -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 -0.90 1.66 0.37 0.00 0.00 0.81 1.63 119.26 122.84 1vfi h ALA 28 Ca -0.06 0.31 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1vfi h ALA 28 Cb 0.54 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1vfi h ALA 28 CO 0.10 -0.76 -0.18 0.93 0.00 0.00 0.00 179.25 179.34 1vfi h GLU 29 N 0.01 -0.49 0.00 0.00 4.39 -0.72 -2.54 114.58 115.23 1vfi h GLU 29 Ca 0.72 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.45 1vfi h GLU 29 Cb 1.73 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 30.49 1vfi h GLU 29 CO -0.85 -0.21 -0.01 1.03 -1.16 0.00 0.00 179.01 177.81 1vfi h SER 30 N -0.72 0.00 -1.98 1.42 0.87 0.12 -1.92 113.55 111.34 1vfi h SER 30 Ca -0.05 0.00 -0.73 0.00 -1.23 0.00 0.00 61.79 59.78 1vfi h SER 30 Cb 0.50 0.00 -0.31 0.00 -0.44 0.00 0.00 62.40 62.15 1vfi h SER 30 CO 0.08 0.01 0.56 0.00 -0.53 0.00 0.00 176.83 176.95 1vfi h GLU 32 N 3.17 0.00 0.00 0.00 5.08 -0.94 -3.38 114.58 118.51 1vfi h GLU 32 Ca 0.47 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.80 1vfi h GLU 32 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1vfi h GLU 32 CO 1.21 0.00 -0.18 1.79 -1.00 0.00 0.00 179.01 180.84 1vfi h THR 33 N -0.56 0.73 -1.48 1.13 1.35 -1.83 -3.44 112.91 108.81 1vfi h THR 33 Ca 0.00 -0.73 -0.75 0.00 -0.55 0.00 0.00 66.41 64.38 1vfi h THR 33 Cb 0.20 1.45 0.02 0.00 -1.73 0.00 0.00 68.15 68.09 1vfi h THR 33 CO 0.00 0.18 0.76 -1.20 -0.25 0.00 0.00 175.52 175.01 1vfi n SER 34 N -3.75 2.01 0.06 5.36 7.64 -1.26 -4.87 113.62 118.82 1vfi n SER 34 Ca -0.02 1.10 -0.03 0.00 1.01 0.00 0.00 58.87 60.93 1vfi n SER 34 Cb 0.29 -1.11 -0.02 0.00 -1.01 0.00 0.00 64.21 62.36 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 6.30 -0.90 0.00 -0.43 0.00 -1.93 -3.08 119.26 119.22 1vfi h ALA 35 Ca -0.47 -0.04 -0.55 0.00 0.00 0.00 0.00 54.91 53.85 1vfi h ALA 35 Cb 1.33 0.26 0.03 0.00 0.00 0.00 0.00 17.79 19.40 1vfi h ALA 35 CO 0.92 -0.90 2.60 -0.25 0.00 0.00 0.00 179.25 181.63 1vfi n ASP 36 N -2.75 3.97 -0.14 0.00 8.00 -1.26 -4.70 116.55 119.66 1vfi n ASP 36 Ca -0.02 -2.55 -0.08 0.00 0.71 0.00 0.00 54.79 52.85 1vfi n ASP 36 Cb 0.08 -1.19 -0.06 0.00 -0.02 0.00 0.00 41.12 39.93 1vfi n ASP 36 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1vfi h LYS 37 N 6.91 -0.17 -0.06 -1.24 3.64 -1.84 0.73 116.57 124.53 1vfi h LYS 37 Ca 0.49 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.89 1vfi h LYS 37 Cb 0.44 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1vfi h LYS 37 CO 1.74 -0.11 -0.04 0.87 -2.27 0.00 0.00 179.45 179.64 1vfi h LYS 38 N -0.17 -0.01 -0.74 1.90 6.56 -1.91 1.08 116.57 123.28 1vfi h LYS 38 Ca 0.06 0.00 0.11 0.00 -1.06 0.00 0.00 60.65 59.76 1vfi h LYS 38 Cb 0.33 0.00 -0.12 0.00 -0.57 0.00 0.00 32.23 31.87 1vfi h LYS 38 CO -0.44 -0.00 -0.42 1.15 -2.06 0.00 0.00 179.45 177.68 1vfi h THR 39 N -0.01 0.07 -0.01 -0.16 2.02 -1.78 1.43 112.91 114.46 1vfi h THR 39 Ca 0.01 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.21 1vfi h THR 39 Cb 0.03 0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 66.47 1vfi h THR 39 CO -0.06 0.00 -0.37 0.00 0.37 0.00 0.00 175.52 175.46 1vfi h ARG 41 N -0.45 0.63 0.56 0.00 3.08 0.28 1.52 114.38 119.99 1vfi h ARG 41 Ca 0.01 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1vfi h ARG 41 Cb 0.49 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 1vfi h ARG 41 CO -0.25 0.42 -0.33 0.00 -1.07 0.00 0.00 179.97 178.73 1vfi h ARG 42 N 0.65 -0.81 0.00 0.04 -0.00 0.39 0.62 114.38 115.27 1vfi h ARG 42 Ca 0.57 0.06 0.00 0.00 -0.50 0.00 0.00 59.98 60.10 1vfi h ARG 42 Cb 0.94 0.18 0.00 0.00 0.00 0.00 0.00 29.97 31.09 1vfi h ARG 42 CO -0.42 -0.54 0.00 -0.91 0.00 0.00 0.00 179.97 178.10 1vfi h ASN 43 N -0.84 0.00 1.56 7.04 2.35 0.13 -0.99 115.58 124.83 1vfi h ASN 43 Ca -0.07 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.60 1vfi h ASN 43 Cb 0.68 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.04 1vfi h ASN 43 CO 0.08 0.00 -0.38 0.00 -1.65 0.00 0.00 177.43 175.47 1vfi h LYS 45 N 0.00 -0.07 0.00 0.00 3.64 0.15 -3.22 116.57 117.07 1vfi h LYS 45 Ca -0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1vfi h LYS 45 Cb 1.27 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1vfi h LYS 45 CO 0.05 0.29 0.00 1.63 -2.27 0.00 0.00 179.45 179.15 1vfi n LYS 46 N -4.78 0.20 0.18 1.90 4.76 -0.83 0.17 118.16 119.75 1vfi n LYS 46 Ca -0.05 0.14 -0.08 0.00 -2.87 0.00 0.00 58.31 55.45 1vfi n LYS 46 Cb 0.19 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 31.85 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 2.79 -0.61 0.00 7.82 0.00 -1.16 -3.41 119.26 124.69 1vfi h ALA 47 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1vfi h ALA 47 Cb 0.19 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1vfi h ALA 47 CO 0.00 -0.57 -1.07 -0.40 0.00 0.00 0.00 179.25 177.20 1vfi n ASP 48 N -4.49 4.73 -2.31 0.00 5.75 -1.19 -4.69 116.55 114.35 1vfi n ASP 48 Ca -0.06 0.00 -0.19 0.00 -0.01 0.00 0.00 54.79 54.52 1vfi n ASP 48 Cb 0.20 0.53 -0.12 0.00 -1.03 0.00 0.00 41.12 40.70 1vfi n ASP 48 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1vfi h GLU 50 N 3.26 0.00 -0.06 0.00 4.81 -1.73 -3.19 114.58 117.68 1vfi h GLU 50 Ca 0.33 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.32 1vfi h GLU 50 Cb 1.16 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.55 1vfi h GLU 50 CO 0.59 0.47 -0.92 -1.00 -0.73 0.00 0.00 179.01 177.41 1vfi h PRO 51 N -1.00 0.68 -0.59 0.92 0.13 -1.92 -2.78 132.00 127.44 1vfi h PRO 51 Ca -0.10 -0.66 0.02 0.00 -0.87 0.00 0.00 66.00 64.39 1vfi h PRO 51 Cb 0.72 0.17 -0.04 0.00 0.13 0.00 0.00 31.00 31.99 1vfi h PRO 51 CO -0.06 1.25 0.37 1.96 -0.23 0.00 0.00 178.00 181.29 1vfi h GLN 52 N 0.42 0.71 -0.82 0.86 4.20 -1.83 0.11 115.11 118.76 1vfi h GLN 52 Ca -0.09 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.54 1vfi h GLN 52 Cb 1.56 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 29.15 1vfi h GLN 52 CO 0.18 0.47 0.36 0.22 -0.67 0.00 0.00 178.83 179.39 1vfi h ASP 53 N 0.73 1.09 0.96 1.46 1.82 -1.58 -2.42 116.42 118.49 1vfi h ASP 53 Ca 0.23 -0.15 -0.05 0.00 -0.39 0.00 0.00 57.03 56.67 1vfi h ASP 53 Cb -0.00 -0.28 0.01 0.00 0.68 0.00 0.00 39.33 39.73 1vfi h ASP 53 CO -0.09 0.94 -0.46 0.11 -1.61 0.00 0.00 179.24 178.13 1vfi h LYS 54 N 1.17 -1.25 -1.49 0.28 1.57 -1.03 0.66 116.57 116.48 1vfi h LYS 54 Ca 0.28 0.09 0.45 0.00 -1.87 0.00 0.00 60.65 59.59 1vfi h LYS 54 Cb 0.16 0.28 -0.09 0.00 0.08 0.00 0.00 32.23 32.66 1vfi h LYS 54 CO -0.03 -0.83 1.03 0.28 -0.57 0.00 0.00 179.45 179.33 1vfi h VAL 55 N -1.34 0.17 0.05 0.50 2.07 -0.71 0.53 116.25 117.53 1vfi h VAL 55 Ca -0.13 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 1vfi h VAL 55 Cb 0.99 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1vfi h VAL 55 CO 0.22 0.01 -0.03 0.00 0.02 0.00 0.00 177.57 177.79 1vfi h ASP 57 N -0.99 -1.87 -0.75 0.00 3.58 0.51 0.57 116.42 117.47 1vfi h ASP 57 Ca -0.01 0.32 0.11 0.00 0.42 0.00 0.00 57.03 57.88 1vfi h ASP 57 Cb 0.36 0.88 -0.13 0.00 1.72 0.00 0.00 39.33 42.16 1vfi h ASP 57 CO 0.01 -0.26 -0.41 0.00 -2.88 0.00 0.00 179.24 175.71 1vfi h ALA 58 N 0.86 -0.12 -0.06 -0.78 0.00 -0.90 1.61 119.26 119.87 1vfi h ALA 58 Ca 0.24 0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.36 1vfi h ALA 58 Cb 0.49 0.97 -0.06 0.00 0.00 0.00 0.00 17.79 19.19 1vfi h ALA 58 CO -0.96 -0.74 -0.48 0.00 0.00 0.00 0.00 179.25 177.07 1vfi h ARG 60 N -0.59 0.58 0.31 0.00 3.08 0.14 0.96 114.38 118.86 1vfi h ARG 60 Ca 0.04 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1vfi h ARG 60 Cb 0.68 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1vfi h ARG 60 CO -0.37 0.38 -0.15 1.98 -1.07 0.00 0.00 179.97 180.74 1vfi h MET 61 N 0.59 -0.40 0.61 0.04 4.05 0.53 -0.73 114.93 119.61 1vfi h MET 61 Ca 0.41 0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.83 1vfi h MET 61 Cb 0.74 0.09 0.01 0.00 -0.80 0.00 0.00 31.60 31.63 1vfi h MET 61 CO -0.17 -0.07 -0.29 0.87 0.23 0.00 0.00 176.91 177.48 1vfi h LYS 62 N -0.91 -0.79 -0.89 0.39 6.56 0.27 -0.39 116.57 120.82 1vfi h LYS 62 Ca -0.04 0.05 0.21 0.00 -1.06 0.00 0.00 60.65 59.81 1vfi h LYS 62 Cb 0.52 0.18 -0.12 0.00 -0.57 0.00 0.00 32.23 32.24 1vfi h LYS 62 CO 0.07 -0.52 0.40 0.00 -2.06 0.00 0.00 179.45 177.34 1vfi h HIS 64 N 0.44 -0.88 0.00 0.00 -0.00 -0.48 1.64 115.15 115.87 1vfi h HIS 64 Ca 0.54 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.89 1vfi h HIS 64 Cb 0.99 0.34 -0.00 0.00 -0.00 0.00 0.00 27.41 28.73 1vfi h HIS 64 CO -0.13 -0.47 -0.12 -0.22 -0.00 0.00 0.00 177.93 176.99 1vfi h LYS 65 N -0.72 0.00 0.20 5.26 3.64 0.83 0.10 116.57 125.88 1vfi h LYS 65 Ca -0.03 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1vfi h LYS 65 Cb 0.63 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1vfi h LYS 65 CO -0.03 0.12 -0.09 0.00 -2.27 0.00 0.00 179.45 177.17 1vfi h ALA 66 N 1.88 -0.26 0.00 5.00 0.00 0.35 1.18 119.26 127.41 1vfi h ALA 66 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1vfi h ALA 66 Cb 0.33 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1vfi h ALA 66 CO 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 179.25 178.98 1vfi n ARG 68 N -2.65 0.71 -0.05 0.00 0.63 0.34 -2.79 116.66 112.85 1vfi n ARG 68 Ca -0.01 0.31 0.11 0.00 -0.92 0.00 0.00 57.85 57.34 1vfi n ARG 68 Cb 0.10 -1.69 0.47 0.00 0.45 0.00 0.00 32.46 31.79 1vfi n ARG 68 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1vfi n ALA 69 N -3.15 2.56 -1.32 5.13 0.00 0.41 0.19 120.51 124.32 1vfi n ALA 69 Ca -0.34 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1vfi n ALA 69 Cb 0.97 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 19.25 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 0.01 0.75 -0.22 0.00 0.00 0.46 -4.56 120.51 116.96 1vfi n ALA 70 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1vfi n ALA 70 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 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 -0.87 0.00 0.00 0.00 3.02 -1.12 -4.19 115.26 112.10 1vfi n ASN 71 Ca 0.00 0.89 0.00 0.00 -0.03 0.00 0.00 54.58 55.44 1vfi n ASN 71 Cb 0.00 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 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 -2.89 0.00 0.01 0.00 0.00 0.49 -4.12 120.51 114.00 1vfi n ALA 73 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1vfi n ALA 73 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1vfi n ALA 73 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1vfi h SER 74 N 0.00 -0.12 -0.35 0.00 0.02 -1.85 -3.26 113.55 108.00 1vfi h SER 74 Ca 0.00 -0.23 0.10 0.00 -0.84 0.00 0.00 61.79 60.82 1vfi h SER 74 Cb 0.00 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1vfi h SER 74 CO 0.00 0.47 0.39 -0.33 -1.14 0.00 0.00 176.83 176.22 1vfi h GLU 75 N -1.00 0.00 -4.42 3.45 4.39 -1.91 -3.26 114.58 111.82 1vfi h GLU 75 Ca -0.01 0.00 -0.70 0.00 0.34 0.00 0.00 59.36 58.99 1vfi h GLU 75 Cb 0.34 0.00 -0.34 0.00 -0.10 0.00 0.00 28.75 28.65 1vfi h GLU 75 CO 0.02 0.00 -0.52 0.00 -1.16 0.00 0.00 179.01 177.35 1vfi n PRO 77 N 4.57 0.28 -3.26 0.00 -0.04 -1.23 -4.38 135.00 130.94 1vfi n PRO 77 Ca -0.02 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.14 1vfi n PRO 77 Cb 0.41 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.83 1vfi n PRO 77 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1vfi s LYS 78 N -1.44 3.70 0.00 0.54 -2.85 -1.26 -4.49 119.74 113.95 1vfi s LYS 78 Ca 0.00 0.16 0.00 0.00 -1.00 0.00 0.00 55.97 55.13 1vfi s LYS 78 Cb 0.00 -2.59 0.00 0.00 -2.06 0.00 0.00 37.83 33.18 1vfi s LYS 78 CO 0.00 0.19 0.00 0.72 0.10 0.00 0.00 175.35 176.36 1vfi n HIS 79 N -0.84 0.00 -1.51 1.78 8.25 -1.26 -4.80 115.22 116.85 1vfi n HIS 79 Ca -0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.14 1vfi n HIS 79 Cb 0.54 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.48 1vfi n HIS 79 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1vfi n GLU 80 N 0.00 0.11 -2.67 -0.41 1.02 -1.26 -4.81 120.64 112.62 1vfi n GLU 80 Ca 0.00 -0.05 -0.43 0.00 -0.02 0.00 0.00 57.16 56.66 1vfi n GLU 80 Cb 0.00 -1.58 -0.02 0.00 -0.02 0.00 0.00 31.44 29.81 1vfi n GLU 80 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 1vfi s HIS 81 N 6.09 3.18 -0.89 -0.32 -3.43 -1.26 -3.90 115.29 114.76 1vfi s HIS 81 Ca 1.29 1.20 -0.03 0.00 -0.80 0.00 0.00 55.06 56.71 1vfi s HIS 81 Cb -0.95 -3.60 -0.03 0.00 -1.43 0.00 0.00 32.58 26.57 1vfi s HIS 81 CO 0.48 -0.71 0.80 1.63 -2.00 0.00 0.00 174.74 174.93 1vfi n LYS 82 N 6.75 -1.72 -0.98 -0.38 4.01 -1.26 -4.95 118.16 119.62 1vfi n LYS 82 Ca 0.11 1.17 -0.31 0.00 -0.51 0.00 0.00 58.31 58.77 1vfi n LYS 82 Cb 0.47 -5.65 0.13 0.00 -0.51 0.00 0.00 35.03 29.48 1vfi n LYS 82 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1vfi s SER 83 N -3.19 3.65 0.11 4.39 0.15 -1.25 -4.56 113.70 113.00 1vfi s SER 83 Ca 0.22 1.98 -0.29 0.00 0.70 0.00 0.00 55.95 58.55 1vfi s SER 83 Cb -0.03 -2.52 -0.09 0.00 -1.71 0.00 0.00 66.02 61.66 1vfi s SER 83 CO 0.75 -2.61 1.61 -0.78 1.20 0.00 0.00 173.24 173.42 1vfi h ASP 84 N -1.52 -1.00 0.52 5.45 3.58 -1.92 0.94 116.42 122.47 1vfi h ASP 84 Ca -0.44 0.11 -0.04 0.00 0.42 0.00 0.00 57.03 57.08 1vfi h ASP 84 Cb 1.25 0.38 -0.01 0.00 1.72 0.00 0.00 39.33 42.67 1vfi h ASP 84 CO 0.47 -0.43 -0.19 0.00 -2.88 0.00 0.00 179.24 176.21 1vfi h THR 85 N -0.58 0.67 0.24 2.25 1.03 -1.92 -2.76 112.91 111.84 1vfi h THR 85 Ca 0.03 -0.82 -0.01 0.00 -0.01 0.00 0.00 66.41 65.60 1vfi h THR 85 Cb 0.61 1.52 0.00 0.00 -1.07 0.00 0.00 68.15 69.21 1vfi h THR 85 CO -0.20 0.19 -0.11 0.00 -0.01 0.00 0.00 175.52 175.38 1vfi h ARG 87 N -0.55 0.05 -0.08 0.00 3.08 0.86 1.54 114.38 119.28 1vfi h ARG 87 Ca -0.03 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1vfi h ARG 87 Cb 0.24 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 1vfi h ARG 87 CO 0.05 0.03 -0.10 0.00 -1.07 0.00 0.00 179.97 178.89 1vfi h ALA 88 N 1.41 0.12 0.86 0.04 0.00 -1.42 -1.33 119.26 118.93 1vfi h ALA 88 Ca 0.84 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 55.40 1vfi h ALA 88 Cb 2.92 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 20.69 1vfi h ALA 88 CO -0.27 -0.04 -0.41 0.00 0.00 0.00 0.00 179.25 178.53 1vfi h MET 90 N -1.19 0.00 -0.03 0.00 2.07 -0.51 0.39 114.93 115.66 1vfi h MET 90 Ca -0.12 0.00 0.04 0.00 -2.07 0.00 0.00 59.70 57.55 1vfi h MET 90 Cb 0.89 0.00 -0.05 0.00 -1.87 0.00 0.00 31.60 30.56 1vfi h MET 90 CO 0.19 0.00 -0.31 -0.22 1.07 0.00 0.00 176.91 177.64 1vfi h LYS 91 N 0.00 -0.43 0.00 1.72 3.64 -0.30 0.14 116.57 121.35 1vfi h LYS 91 Ca 0.06 0.03 -0.44 0.00 -1.27 0.00 0.00 60.65 59.03 1vfi h LYS 91 Cb 0.96 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.81 1vfi h LYS 91 CO -0.00 -0.28 -2.44 2.41 -2.27 0.00 0.00 179.45 176.87 1vfi n THR 92 N -5.41 1.53 -0.29 1.00 -1.04 -0.32 -4.32 114.28 105.43 1vfi n THR 92 Ca -0.04 -0.39 0.20 0.00 -2.04 0.00 0.00 64.05 61.77 1vfi n THR 92 Cb 0.32 -1.83 0.49 0.00 -1.82 0.00 0.00 70.33 67.49 1vfi n THR 92 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1vfi h ASN 93 N -0.85 0.47 0.00 8.00 2.35 -0.41 -3.40 115.58 121.74 1vfi h ASN 93 Ca -0.66 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.15 1vfi h ASN 93 Cb 1.64 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.99 1vfi h ASN 93 CO -0.36 0.15 0.00 0.00 -1.65 0.00 0.00 177.43 175.57