#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 0.00 -3.28 9.51 7.64 -1.26 -5.15 113.62 121.08 1vfi n SER 2 Ca 0.00 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.89 1vfi n SER 2 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1vfi n SER 2 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1vfi s GLU 3 N -2.00 0.53 0.00 1.43 2.02 -1.26 -4.98 118.70 114.44 1vfi s GLU 3 Ca 0.00 1.01 0.00 0.00 0.02 0.00 0.00 54.97 56.00 1vfi s GLU 3 Cb 0.00 0.45 0.00 0.00 0.10 0.00 0.00 34.13 34.68 1vfi s GLU 3 CO 0.00 -0.54 0.00 1.19 0.02 0.00 0.00 175.26 175.93 1vfi n PHE 4 N 5.42 0.00 -1.23 1.61 3.72 -1.26 -4.85 117.46 120.88 1vfi n PHE 4 Ca -0.03 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.42 1vfi n PHE 4 Cb 0.50 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.01 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 0.00 -2.26 -1.71 4.37 0.00 -1.26 -4.89 120.51 114.76 1vfi n ALA 5 Ca 0.00 0.55 -0.33 0.00 0.00 0.00 0.00 53.44 53.66 1vfi n ALA 5 Cb 0.00 -1.28 -0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 -4.70 3.49 0.17 0.00 0.04 -1.26 -5.03 135.00 127.70 1vfi s PRO 6 Ca 0.00 1.21 -0.20 0.00 0.04 0.00 0.00 61.00 62.05 1vfi s PRO 6 Cb 0.00 -2.06 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 1vfi s PRO 6 CO 0.00 -0.67 0.68 0.08 0.04 0.00 0.00 177.00 177.13 1vfi s VAL 7 N -2.38 4.59 -0.06 -0.36 1.01 -0.87 -4.89 120.40 117.44 1vfi s VAL 7 Ca 0.64 1.32 -0.02 0.00 0.00 0.00 0.00 61.98 63.92 1vfi s VAL 7 Cb -0.15 -3.92 0.04 0.00 0.00 0.00 0.00 36.38 32.34 1vfi s VAL 7 CO 0.33 0.37 0.11 -0.62 0.00 0.00 0.00 175.10 175.29 1vfi s ASP 8 N -1.41 0.80 0.00 3.32 -1.08 -1.26 -3.33 116.67 113.71 1vfi s ASP 8 Ca 0.37 0.20 0.00 0.00 -0.52 0.00 0.00 52.55 52.61 1vfi s ASP 8 Cb -0.19 0.07 0.00 0.00 -1.46 0.00 0.00 42.92 41.34 1vfi s ASP 8 CO 0.22 -0.23 0.81 0.00 0.52 0.00 0.00 175.17 176.49 1vfi n LYS 10 N -1.97 0.00 -0.20 0.00 3.00 -1.26 0.91 118.16 118.64 1vfi n LYS 10 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.25 1vfi n LYS 10 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.02 1vfi n LYS 10 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1vfi h GLY 11 N 0.00 -0.22 -0.83 3.14 0.00 -2.02 0.84 103.07 103.97 1vfi h GLY 11 Ca 0.00 0.47 0.33 0.00 0.00 0.00 0.00 47.33 48.13 1vfi h GLY 11 CO 0.00 -0.19 1.10 1.46 0.00 0.00 0.00 176.54 178.90 1vfi h GLN 12 N -0.19 0.00 -1.98 4.80 4.20 0.26 1.00 115.11 123.20 1vfi h GLN 12 Ca 0.21 0.00 -0.74 0.00 0.06 0.00 0.00 58.65 58.19 1vfi h GLN 12 Cb 0.56 0.00 -0.30 0.00 0.30 0.00 0.00 27.48 28.03 1vfi h GLN 12 CO -0.67 0.00 0.66 0.00 -0.67 0.00 0.00 178.83 178.14 1vfi n THR 14 N -0.43 0.70 -0.03 0.00 -1.04 0.34 -3.98 114.28 109.85 1vfi n THR 14 Ca 0.49 -0.32 -0.14 0.00 -2.04 0.00 0.00 64.05 62.04 1vfi n THR 14 Cb 0.32 -0.88 -0.10 0.00 -1.82 0.00 0.00 70.33 67.85 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 0.00 1.45 0.00 12.58 2.02 -1.77 1.28 112.91 128.46 1vfi h THR 15 Ca -0.27 -1.57 0.00 0.00 0.77 0.00 0.00 66.41 65.34 1vfi h THR 15 Cb 1.48 2.34 0.00 0.00 -1.74 0.00 0.00 68.15 70.23 1vfi h THR 15 CO -0.03 0.44 0.00 1.55 0.37 0.00 0.00 175.52 177.85 1vfi h PRO 16 N -0.32 0.00 -0.11 6.66 0.13 -1.83 -2.65 132.00 133.88 1vfi h PRO 16 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1vfi h PRO 16 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1vfi h PRO 16 CO 0.04 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.81 1vfi h GLU 18 N 0.68 -0.19 -0.06 0.00 4.81 0.20 -1.04 114.58 118.98 1vfi h GLU 18 Ca 0.00 0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 59.02 1vfi h GLU 18 Cb 0.69 0.04 0.02 0.00 0.63 0.00 0.00 28.75 30.13 1vfi h GLU 18 CO 0.02 0.07 -0.85 -1.00 -0.73 0.00 0.00 179.01 176.51 1vfi h PRO 19 N -0.45 0.68 -0.02 0.92 0.13 -1.82 -2.84 132.00 128.60 1vfi h PRO 19 Ca -0.02 -0.65 0.03 0.00 -0.87 0.00 0.00 66.00 64.49 1vfi h PRO 19 Cb 0.35 0.17 -0.05 0.00 0.13 0.00 0.00 31.00 31.60 1vfi h PRO 19 CO 0.03 1.25 -0.31 1.25 -0.23 0.00 0.00 178.00 180.00 1vfi h LEU 20 N 0.34 -0.92 0.35 1.56 5.85 -1.76 0.41 115.31 121.14 1vfi h LEU 20 Ca -0.09 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1vfi h LEU 20 Cb 1.51 0.37 -0.03 0.00 0.37 0.00 0.00 40.66 42.88 1vfi h LEU 20 CO 0.17 -0.37 -0.47 0.74 -0.34 0.00 0.00 178.44 178.17 1vfi h THR 21 N -0.44 0.00 -0.99 1.05 2.02 -1.26 0.69 112.91 113.99 1vfi h THR 21 Ca 0.07 0.00 0.29 0.00 0.77 0.00 0.00 66.41 67.53 1vfi h THR 21 Cb 0.54 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.91 1vfi h THR 21 CO -0.27 0.00 0.72 0.00 0.37 0.00 0.00 175.52 176.34 1vfi h ALA 22 N -0.87 2.93 0.58 6.16 0.00 -1.24 0.59 119.26 127.41 1vfi h ALA 22 Ca -0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1vfi h ALA 22 Cb 0.76 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.63 1vfi h ALA 22 CO -0.12 -1.23 -0.28 0.00 0.00 0.00 0.00 179.25 177.62 1vfi h LYS 24 N -0.99 0.28 0.14 0.00 1.57 0.85 -1.80 116.57 116.61 1vfi h LYS 24 Ca -0.08 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1vfi h LYS 24 Cb 0.60 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1vfi h LYS 24 CO 0.13 0.18 -0.22 0.93 -0.57 0.00 0.00 179.45 179.90 1vfi h GLU 25 N 0.28 -0.37 -0.97 3.15 4.39 0.09 1.54 114.58 122.69 1vfi h GLU 25 Ca 0.22 0.03 0.33 0.00 0.34 0.00 0.00 59.36 60.28 1vfi h GLU 25 Cb 0.26 0.08 -0.18 0.00 -0.10 0.00 0.00 28.75 28.81 1vfi h GLU 25 CO -0.26 -0.25 0.24 1.17 -1.16 0.00 0.00 179.01 178.76 1vfi n LYS 26 N -3.69 -0.07 0.10 2.33 4.81 0.76 0.11 118.16 122.51 1vfi n LYS 26 Ca -0.04 1.40 -0.12 0.00 -0.87 0.00 0.00 58.31 58.67 1vfi n LYS 26 Cb 0.19 -2.35 -0.08 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 -0.20 1.57 0.08 0.00 0.00 0.96 0.71 119.26 122.39 1vfi h ALA 28 Ca -0.03 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1vfi h ALA 28 Cb 0.51 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1vfi h ALA 28 CO 0.05 -0.59 -0.04 0.93 0.00 0.00 0.00 179.25 179.60 1vfi h GLU 29 N 0.17 -0.10 0.00 0.00 4.39 0.08 -1.79 114.58 117.33 1vfi h GLU 29 Ca 0.65 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.36 1vfi h GLU 29 Cb 1.46 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 30.13 1vfi h GLU 29 CO -0.71 0.05 -0.03 1.03 -1.16 0.00 0.00 179.01 178.20 1vfi h SER 30 N -0.24 0.00 -2.18 1.42 0.87 0.65 -2.93 113.55 111.14 1vfi h SER 30 Ca -0.01 0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 59.96 1vfi h SER 30 Cb 0.20 0.00 -0.42 0.00 -0.44 0.00 0.00 62.40 61.75 1vfi h SER 30 CO 0.02 0.03 -0.68 0.00 -0.53 0.00 0.00 176.83 175.66 1vfi n GLU 32 N 0.66 0.64 -2.38 0.00 0.28 -0.81 -4.43 120.64 114.60 1vfi n GLU 32 Ca 0.29 0.10 0.01 0.00 -0.16 0.00 0.00 57.16 57.40 1vfi n GLU 32 Cb 0.43 -1.70 0.04 0.00 1.43 0.00 0.00 31.44 31.64 1vfi n GLU 32 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1vfi n THR 33 N -2.76 0.90 -2.94 3.84 -2.24 -1.26 -5.10 114.28 104.72 1vfi n THR 33 Ca -0.14 -2.33 -0.31 0.00 -2.27 0.00 0.00 64.05 58.99 1vfi n THR 33 Cb 0.87 1.16 -0.04 0.00 -2.10 0.00 0.00 70.33 70.21 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 -3.23 6.62 0.02 3.42 0.15 -1.26 -5.01 113.70 114.40 1vfi s SER 34 Ca 0.30 1.21 -0.08 0.00 0.70 0.00 0.00 55.95 58.08 1vfi s SER 34 Cb 0.34 -2.35 -0.04 0.00 -1.71 0.00 0.00 66.02 62.27 1vfi s SER 34 CO -0.08 -0.34 1.12 0.00 1.20 0.00 0.00 173.24 175.14 1vfi h ALA 35 N 1.60 -0.85 -2.10 5.45 0.00 -1.99 -3.26 119.26 118.12 1vfi h ALA 35 Ca -0.47 -0.04 -0.77 0.00 0.00 0.00 0.00 54.91 53.63 1vfi h ALA 35 Cb 1.18 0.35 -0.23 0.00 0.00 0.00 0.00 17.79 19.09 1vfi h ALA 35 CO 0.64 -0.85 0.93 -0.25 0.00 0.00 0.00 179.25 179.72 1vfi n ASP 36 N -2.94 5.38 0.32 0.00 8.00 -1.26 -4.83 116.55 121.22 1vfi n ASP 36 Ca -0.03 -3.01 -0.15 0.00 0.71 0.00 0.00 54.79 52.32 1vfi n ASP 36 Cb 0.10 -1.48 -0.07 0.00 -0.02 0.00 0.00 41.12 39.65 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 6.88 -0.81 -0.53 -1.24 3.64 -1.91 0.41 116.57 123.00 1vfi h LYS 37 Ca 0.25 0.06 0.09 0.00 -1.27 0.00 0.00 60.65 59.78 1vfi h LYS 37 Cb 0.87 0.19 -0.10 0.00 -0.41 0.00 0.00 32.23 32.77 1vfi h LYS 37 CO 1.14 -0.50 -0.38 -0.22 -2.27 0.00 0.00 179.45 177.22 1vfi h LYS 38 N -1.13 -0.21 0.50 1.90 3.64 -1.92 0.44 116.57 119.78 1vfi h LYS 38 Ca -0.09 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1vfi h LYS 38 Cb 0.69 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 1vfi h LYS 38 CO 0.14 -0.14 -0.33 1.15 -2.27 0.00 0.00 179.45 178.00 1vfi h THR 39 N -0.22 0.32 -0.75 1.00 2.02 -1.95 0.72 112.91 114.05 1vfi h THR 39 Ca 0.19 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.48 1vfi h THR 39 Cb 0.56 0.32 -0.13 0.00 -1.74 0.00 0.00 68.15 67.16 1vfi h THR 39 CO -0.65 0.00 -0.42 0.00 0.37 0.00 0.00 175.52 174.83 1vfi h ARG 41 N -0.12 -0.60 -0.97 0.00 3.08 0.14 -1.11 114.38 114.80 1vfi h ARG 41 Ca 0.24 0.04 0.25 0.00 0.07 0.00 0.00 59.98 60.58 1vfi h ARG 41 Cb 0.56 0.14 -0.13 0.00 0.08 0.00 0.00 29.97 30.61 1vfi h ARG 41 CO -0.80 -0.40 0.53 0.00 -1.07 0.00 0.00 179.97 178.23 1vfi h ARG 42 N -0.63 0.48 -0.38 0.04 3.08 0.26 1.00 114.38 118.24 1vfi h ARG 42 Ca -0.06 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 59.88 1vfi h ARG 42 Cb 0.49 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1vfi h ARG 42 CO 0.10 0.32 -0.11 -0.91 -1.07 0.00 0.00 179.97 178.29 1vfi h ASN 43 N 0.50 0.65 -0.74 7.04 2.35 0.16 -1.69 115.58 123.85 1vfi h ASN 43 Ca 0.63 -0.18 0.21 0.00 -0.55 0.00 0.00 56.30 56.41 1vfi h ASN 43 Cb 1.23 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.40 1vfi h ASN 43 CO -0.51 0.79 0.54 0.00 -1.65 0.00 0.00 177.43 176.60 1vfi h LYS 45 N 0.00 0.74 0.00 0.00 3.64 -0.98 -1.48 116.57 118.49 1vfi h LYS 45 Ca 0.35 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1vfi h LYS 45 Cb 1.42 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1vfi h LYS 45 CO -0.00 0.52 -1.39 1.63 -2.27 0.00 0.00 179.45 177.93 1vfi n LYS 46 N -4.43 0.52 0.16 1.90 4.76 0.32 -0.69 118.16 120.70 1vfi n LYS 46 Ca 0.05 -0.04 -0.15 0.00 -2.87 0.00 0.00 58.31 55.30 1vfi n LYS 46 Cb 0.07 -1.64 -0.09 0.00 -1.84 0.00 0.00 35.03 31.53 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 2.18 -1.01 0.00 7.82 0.00 0.16 -3.42 119.26 124.98 1vfi h ALA 47 Ca 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1vfi h ALA 47 Cb 0.91 0.80 -0.06 0.00 0.00 0.00 0.00 17.79 19.44 1vfi h ALA 47 CO 0.00 -1.10 -0.12 -0.25 0.00 0.00 0.00 179.25 177.79 1vfi n ASP 48 N -5.17 -0.49 0.00 0.00 8.00 -1.11 -4.94 116.55 112.84 1vfi n ASP 48 Ca -0.09 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.31 1vfi n ASP 48 Cb 0.39 0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 1vfi n ASP 48 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vfi h GLU 50 N 0.00 -0.01 -0.06 0.00 5.08 -1.17 0.65 114.58 119.06 1vfi h GLU 50 Ca 0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 1vfi h GLU 50 Cb 0.42 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.69 1vfi h GLU 50 CO 0.00 -0.01 -0.92 -1.00 -1.00 0.00 0.00 179.01 176.08 1vfi h PRO 51 N -0.01 0.72 -0.62 2.33 0.13 -1.87 -2.73 132.00 129.96 1vfi h PRO 51 Ca 0.10 -0.70 0.03 0.00 -0.87 0.00 0.00 66.00 64.56 1vfi h PRO 51 Cb 0.17 0.18 -0.04 0.00 0.13 0.00 0.00 31.00 31.44 1vfi h PRO 51 CO -0.22 1.29 0.38 1.96 -0.23 0.00 0.00 178.00 181.18 1vfi h GLN 52 N 0.42 0.73 -0.46 0.86 4.20 -1.77 0.60 115.11 119.69 1vfi h GLN 52 Ca -0.10 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.51 1vfi h GLN 52 Cb 1.57 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 29.16 1vfi h GLN 52 CO 0.18 0.48 0.07 0.22 -0.67 0.00 0.00 178.83 179.12 1vfi h ASP 53 N 0.75 0.67 0.57 1.46 3.58 0.26 -2.64 116.42 121.08 1vfi h ASP 53 Ca 0.25 -0.13 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 1vfi h ASP 53 Cb 0.02 -0.18 0.01 0.00 1.72 0.00 0.00 39.33 40.90 1vfi h ASP 53 CO -0.10 0.70 -0.28 0.11 -2.88 0.00 0.00 179.24 176.79 1vfi h LYS 54 N 0.69 -0.74 -1.35 0.28 1.57 -0.90 -0.38 116.57 115.74 1vfi h LYS 54 Ca 0.15 0.05 0.39 0.00 -1.87 0.00 0.00 60.65 59.37 1vfi h LYS 54 Cb 0.32 0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.75 1vfi h LYS 54 CO 0.00 -0.44 0.97 0.28 -0.57 0.00 0.00 179.45 179.69 1vfi h VAL 55 N -0.92 0.32 0.29 0.50 2.07 -0.76 0.22 116.25 117.98 1vfi h VAL 55 Ca -0.08 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1vfi h VAL 55 Cb 0.64 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1vfi h VAL 55 CO 0.13 0.00 -0.14 0.00 0.02 0.00 0.00 177.57 177.58 1vfi h ASP 57 N -1.01 -0.96 -0.92 0.00 1.82 0.10 1.04 116.42 116.49 1vfi h ASP 57 Ca -0.04 0.28 0.21 0.00 -0.39 0.00 0.00 57.03 57.09 1vfi h ASP 57 Cb 0.30 0.61 -0.17 0.00 0.68 0.00 0.00 39.33 40.75 1vfi h ASP 57 CO 0.07 -0.31 -0.12 0.00 -1.61 0.00 0.00 179.24 177.27 1vfi h ALA 58 N 1.83 0.80 0.37 -0.78 0.00 -1.00 1.41 119.26 121.89 1vfi h ALA 58 Ca 0.43 0.34 -0.02 0.00 0.00 0.00 0.00 54.91 55.66 1vfi h ALA 58 Cb 0.67 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1vfi h ALA 58 CO -0.96 -0.45 -0.25 0.00 0.00 0.00 0.00 179.25 177.59 1vfi h ARG 60 N -0.59 0.00 0.08 0.00 3.08 -0.35 1.11 114.38 117.72 1vfi h ARG 60 Ca -0.05 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.75 1vfi h ARG 60 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1vfi h ARG 60 CO 0.03 0.00 -1.12 1.98 -1.07 0.00 0.00 179.97 179.79 1vfi h MET 61 N 0.00 0.28 0.00 0.04 4.05 0.30 -2.94 114.93 116.66 1vfi h MET 61 Ca 0.36 -0.41 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1vfi h MET 61 Cb 1.71 0.14 0.00 0.00 -0.80 0.00 0.00 31.60 32.65 1vfi h MET 61 CO -0.00 1.16 -0.14 0.87 0.23 0.00 0.00 176.91 179.02 1vfi h LYS 62 N 0.11 0.00 -1.41 0.39 1.79 0.70 -3.14 116.57 115.01 1vfi h LYS 62 Ca -0.11 0.00 0.44 0.00 -2.18 0.00 0.00 60.65 58.80 1vfi h LYS 62 Cb 1.82 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 32.37 1vfi h LYS 62 CO 0.18 0.00 0.95 0.00 -1.08 0.00 0.00 179.45 179.50 1vfi h HIS 64 N 0.08 -0.47 -0.52 0.00 -0.00 -1.61 1.32 115.15 113.96 1vfi h HIS 64 Ca 0.80 -0.01 0.05 0.00 -0.00 0.00 0.00 60.37 61.21 1vfi h HIS 64 Cb 2.69 0.16 -0.03 0.00 -0.00 0.00 0.00 27.41 30.22 1vfi h HIS 64 CO -0.00 -0.29 0.34 1.57 -0.00 0.00 0.00 177.93 179.55 1vfi h LYS 65 N -0.55 0.49 0.30 5.26 2.10 -0.54 0.83 116.57 124.46 1vfi h LYS 65 Ca -0.05 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.55 1vfi h LYS 65 Cb 0.39 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 1vfi h LYS 65 CO 0.09 0.32 -0.14 0.00 -2.00 0.00 0.00 179.45 177.72 1vfi h ALA 66 N 1.71 -0.40 -0.93 0.07 0.00 0.18 -2.05 119.26 117.85 1vfi h ALA 66 Ca 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1vfi h ALA 66 Cb 0.23 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1vfi h ALA 66 CO -0.06 -0.58 0.53 0.00 0.00 0.00 0.00 179.25 179.14 1vfi h ARG 68 N 1.29 0.06 0.00 0.00 2.43 0.82 0.61 114.38 119.58 1vfi h ARG 68 Ca 0.33 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1vfi h ARG 68 Cb -0.01 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1vfi h ARG 68 CO -0.06 0.04 -1.71 0.00 -1.51 0.00 0.00 179.97 176.74 1vfi n ALA 69 N -2.63 3.27 -0.01 2.80 0.00 -0.25 -3.39 120.51 120.31 1vfi n ALA 69 Ca 0.11 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1vfi n ALA 69 Cb 0.62 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.34 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 -2.04 -0.02 -0.10 0.00 0.00 0.38 -4.73 120.51 113.99 1vfi n ALA 70 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1vfi n ALA 70 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 -1.99 0.00 -4.66 0.00 3.02 0.18 -4.89 115.26 106.93 1vfi n ASN 71 Ca 0.00 0.50 -0.30 0.00 -0.03 0.00 0.00 54.58 54.75 1vfi n ASN 71 Cb 0.00 -0.45 0.17 0.00 -0.61 0.00 0.00 39.78 38.89 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 -4.20 0.00 -0.01 0.00 0.00 -1.22 -3.74 120.51 111.35 1vfi n ALA 73 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.41 1vfi n ALA 73 Cb 0.54 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.85 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 0.06 0.05 0.00 0.87 -1.90 -3.29 113.55 109.33 1vfi h SER 74 Ca 0.00 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1vfi h SER 74 Cb 0.00 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1vfi h SER 74 CO 0.00 1.11 0.00 -0.62 -0.53 0.00 0.00 176.83 176.79 1vfi n GLU 75 N -3.13 0.87 -3.45 2.24 -0.58 -1.26 -4.48 120.64 110.85 1vfi n GLU 75 Ca -0.17 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.41 1vfi n GLU 75 Cb 1.04 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 30.30 1vfi n GLU 75 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1vfi n PRO 77 N 5.33 0.31 -3.36 0.00 -0.04 -1.26 -4.57 135.00 131.40 1vfi n PRO 77 Ca -0.05 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.03 1vfi n PRO 77 Cb 0.49 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.89 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 -1.38 4.17 -0.28 0.54 2.20 -1.26 -4.55 119.74 119.17 1vfi s LYS 78 Ca 0.00 0.52 -0.08 0.00 -0.36 0.00 0.00 55.97 56.05 1vfi s LYS 78 Cb 0.00 -3.32 0.01 0.00 -1.51 0.00 0.00 37.83 33.01 1vfi s LYS 78 CO 0.00 0.45 0.30 0.72 -0.36 0.00 0.00 175.35 176.46 1vfi n HIS 79 N 2.57 -2.63 -3.84 4.03 8.25 -1.26 -5.08 115.22 117.26 1vfi n HIS 79 Ca -0.10 1.10 -0.10 0.00 -0.26 0.00 0.00 57.72 58.35 1vfi n HIS 79 Cb 0.52 -3.36 0.01 0.00 1.12 0.00 0.00 29.99 28.28 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 -0.09 0.98 -3.44 -0.41 -0.58 -1.26 -5.14 120.64 110.71 1vfi n GLU 80 Ca 0.06 -2.31 -0.22 0.00 -0.42 0.00 0.00 57.16 54.27 1vfi n GLU 80 Cb 0.23 2.67 -0.11 0.00 -0.57 0.00 0.00 31.44 33.66 1vfi n GLU 80 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1vfi s HIS 81 N -2.58 -0.01 -0.52 -0.32 3.76 -1.26 -4.97 115.29 109.38 1vfi s HIS 81 Ca 0.19 -0.77 -0.31 0.00 -0.15 0.00 0.00 55.06 54.01 1vfi s HIS 81 Cb -0.04 -0.64 0.05 0.00 1.11 0.00 0.00 32.58 33.06 1vfi s HIS 81 CO 0.14 -0.89 0.65 0.36 -0.85 0.00 0.00 174.74 174.15 1vfi n LYS 82 N 4.80 -1.87 -1.26 1.40 2.85 -1.26 -4.88 118.16 117.94 1vfi n LYS 82 Ca 0.03 1.31 -0.31 0.00 -1.05 0.00 0.00 58.31 58.29 1vfi n LYS 82 Cb 0.43 -2.18 0.09 0.00 -0.65 0.00 0.00 35.03 32.72 1vfi n LYS 82 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1vfi s SER 83 N -1.79 4.47 0.09 -5.58 1.04 -1.26 -4.63 113.70 106.04 1vfi s SER 83 Ca 0.31 1.85 -0.35 0.00 0.48 0.00 0.00 55.95 58.23 1vfi s SER 83 Cb -0.03 -2.52 -0.16 0.00 0.10 0.00 0.00 66.02 63.40 1vfi s SER 83 CO 0.88 -2.06 1.55 -0.78 0.98 0.00 0.00 173.24 173.81 1vfi h ASP 84 N -1.10 -1.51 0.50 7.02 1.82 -1.90 1.08 116.42 122.34 1vfi h ASP 84 Ca -0.44 0.14 0.00 0.00 -0.39 0.00 0.00 57.03 56.35 1vfi h ASP 84 Cb 1.23 0.53 0.00 0.00 0.68 0.00 0.00 39.33 41.77 1vfi h ASP 84 CO 0.51 -0.61 0.00 0.00 -1.61 0.00 0.00 179.24 177.53 1vfi h THR 85 N -0.87 0.00 0.19 2.25 1.03 -1.93 -2.35 112.91 111.23 1vfi h THR 85 Ca -0.03 -0.24 -0.01 0.00 -0.01 0.00 0.00 66.41 66.12 1vfi h THR 85 Cb 0.81 1.15 0.00 0.00 -1.07 0.00 0.00 68.15 69.05 1vfi h THR 85 CO -0.19 0.00 -0.09 0.00 -0.01 0.00 0.00 175.52 175.23 1vfi h ARG 87 N -0.89 0.41 -0.33 0.00 3.08 0.13 1.52 114.38 118.30 1vfi h ARG 87 Ca -0.03 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 1vfi h ARG 87 Cb 0.20 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1vfi h ARG 87 CO 0.04 0.27 -0.17 0.00 -1.07 0.00 0.00 179.97 179.05 1vfi h ALA 88 N 1.75 1.08 0.31 0.04 0.00 -1.49 0.39 119.26 121.35 1vfi h ALA 88 Ca 0.68 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 1vfi h ALA 88 Cb 1.52 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1vfi h ALA 88 CO -0.49 0.56 -0.15 0.00 0.00 0.00 0.00 179.25 179.17 1vfi h MET 90 N -1.02 0.00 -0.67 0.00 2.07 0.30 1.01 114.93 116.63 1vfi h MET 90 Ca -0.04 0.00 0.01 0.00 -2.07 0.00 0.00 59.70 57.60 1vfi h MET 90 Cb 0.46 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.16 1vfi h MET 90 CO 0.07 0.00 0.44 -0.22 1.07 0.00 0.00 176.91 178.27 1vfi h LYS 91 N 0.00 0.86 0.00 1.72 3.64 -0.15 0.85 116.57 123.49 1vfi h LYS 91 Ca 0.05 -0.05 -0.32 0.00 -1.27 0.00 0.00 60.65 59.06 1vfi h LYS 91 Cb 0.33 -0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 31.90 1vfi h LYS 91 CO -0.00 0.57 -1.87 2.41 -2.27 0.00 0.00 179.45 178.29 1vfi n THR 92 N -4.63 1.52 -0.07 1.00 -1.04 -0.23 -3.90 114.28 106.93 1vfi n THR 92 Ca 0.06 -0.19 -0.09 0.00 -2.04 0.00 0.00 64.05 61.79 1vfi n THR 92 Cb 0.03 -2.01 -0.03 0.00 -1.82 0.00 0.00 70.33 66.51 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 -1.00 -1.10 -3.95 8.00 2.35 0.90 -3.20 115.58 117.58 1vfi h ASN 93 Ca -0.49 0.18 -0.68 0.00 -0.55 0.00 0.00 56.30 54.76 1vfi h ASN 93 Cb 1.40 0.49 -0.37 0.00 0.05 0.00 0.00 38.32 39.89 1vfi h ASN 93 CO -0.29 -0.34 -0.37 0.00 -1.65 0.00 0.00 177.43 174.77