#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 4.49 -1.31 7.28 1.04 -1.26 -5.04 113.70 118.90 1vfi s SER 2 Ca 0.00 -0.43 -0.13 0.00 0.48 0.00 0.00 55.95 55.87 1vfi s SER 2 Cb 0.00 -0.87 0.12 0.00 0.10 0.00 0.00 66.02 65.37 1vfi s SER 2 CO 0.00 0.13 1.85 -0.62 0.98 0.00 0.00 173.24 175.58 1vfi n GLU 3 N 0.28 3.32 -4.14 4.02 1.02 -1.26 -4.89 120.64 119.00 1vfi n GLU 3 Ca -0.12 -3.34 -0.14 0.00 -0.02 0.00 0.00 57.16 53.55 1vfi n GLU 3 Cb 0.54 -3.12 -0.07 0.00 -0.02 0.00 0.00 31.44 28.77 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 1.89 1.09 0.56 -0.32 0.40 -1.26 -5.13 117.98 115.21 1vfi s PHE 4 Ca 0.44 -1.28 0.00 0.00 -0.60 0.00 0.00 56.93 55.49 1vfi s PHE 4 Cb 0.07 -0.27 0.00 0.00 0.51 0.00 0.00 43.02 43.33 1vfi s PHE 4 CO -0.01 -0.94 0.00 0.00 0.70 0.00 0.00 175.22 174.98 1vfi n ALA 5 N -0.47 -3.72 -1.52 5.36 0.00 -1.26 -4.91 120.51 113.99 1vfi n ALA 5 Ca 0.02 0.84 -0.30 0.00 0.00 0.00 0.00 53.44 54.00 1vfi n ALA 5 Cb 0.63 -1.51 0.20 0.00 0.00 0.00 0.00 19.45 18.77 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 -3.89 -0.02 -0.06 0.00 0.04 -1.26 -5.03 135.00 124.78 1vfi s PRO 6 Ca 0.00 -0.15 -0.16 0.00 0.04 0.00 0.00 61.00 60.73 1vfi s PRO 6 Cb 0.00 -1.74 -0.05 0.00 0.04 0.00 0.00 34.50 32.74 1vfi s PRO 6 CO 0.00 -2.90 0.42 0.54 0.04 0.00 0.00 177.00 175.10 1vfi s VAL 7 N -3.43 5.10 -0.76 -0.36 0.11 -1.16 -5.03 120.40 114.87 1vfi s VAL 7 Ca 0.71 0.85 -0.05 0.00 -2.93 0.00 0.00 61.98 60.56 1vfi s VAL 7 Cb -0.08 -3.74 0.19 0.00 -1.53 0.00 0.00 36.38 31.22 1vfi s VAL 7 CO 0.54 0.47 0.63 -0.62 -3.33 0.00 0.00 175.10 172.80 1vfi s ASP 8 N -0.34 5.83 0.21 3.54 2.15 -1.26 -4.09 116.67 122.70 1vfi s ASP 8 Ca 0.24 -3.11 -0.17 0.00 0.43 0.00 0.00 52.55 49.93 1vfi s ASP 8 Cb -0.16 -1.95 0.20 0.00 -0.30 0.00 0.00 42.92 40.71 1vfi s ASP 8 CO 0.11 -0.35 1.59 0.00 -0.17 0.00 0.00 175.17 176.36 1vfi h LYS 10 N -0.09 -0.04 -0.36 0.00 1.57 -1.96 0.30 116.57 115.99 1vfi h LYS 10 Ca 0.29 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.91 1vfi h LYS 10 Cb 0.55 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 1vfi h LYS 10 CO -0.73 -0.03 -0.39 0.78 -0.57 0.00 0.00 179.45 178.51 1vfi h GLY 11 N -0.04 0.98 -4.69 3.86 0.00 -0.56 -3.27 103.07 99.35 1vfi h GLY 11 Ca 0.34 -1.02 -0.39 0.00 0.00 0.00 0.00 47.33 46.27 1vfi h GLY 11 CO -0.84 0.92 1.77 -0.18 0.00 0.00 0.00 176.54 178.21 1vfi n GLN 12 N -4.09 2.52 -2.76 4.80 -0.06 0.37 -4.10 117.38 114.05 1vfi n GLN 12 Ca -0.03 -1.46 -0.09 0.00 -2.00 0.00 0.00 57.00 53.42 1vfi n GLN 12 Cb 0.54 -2.34 0.06 0.00 -4.06 0.00 0.00 30.24 24.44 1vfi n GLN 12 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1vfi n THR 14 N 1.25 0.61 -0.10 0.00 -1.04 -1.26 -4.04 114.28 109.70 1vfi n THR 14 Ca 0.09 -0.17 -0.10 0.00 -2.04 0.00 0.00 64.05 61.83 1vfi n THR 14 Cb 0.65 -1.52 -0.02 0.00 -1.82 0.00 0.00 70.33 67.61 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 -0.33 1.19 0.00 12.58 2.02 -1.94 1.15 112.91 127.59 1vfi h THR 15 Ca -0.27 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.29 1vfi h THR 15 Cb 1.27 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 1vfi h THR 15 CO -0.15 0.21 0.00 1.55 0.37 0.00 0.00 175.52 177.50 1vfi h PRO 16 N 0.35 0.00 -0.06 6.66 0.13 -1.95 -2.88 132.00 134.25 1vfi h PRO 16 Ca 0.10 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.20 1vfi h PRO 16 Cb 0.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.33 1vfi h PRO 16 CO -0.01 0.00 -0.40 0.00 -0.23 0.00 0.00 178.00 177.36 1vfi h GLU 18 N 0.95 -0.14 -0.03 0.00 5.08 0.16 -2.55 114.58 118.05 1vfi h GLU 18 Ca 0.04 0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 58.20 1vfi h GLU 18 Cb 1.11 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 1vfi h GLU 18 CO 0.06 0.24 -0.86 -1.00 -1.00 0.00 0.00 179.01 176.45 1vfi h PRO 19 N -0.97 0.42 0.45 2.33 0.13 -1.83 -2.12 132.00 130.40 1vfi h PRO 19 Ca -0.01 -0.40 -0.02 0.00 -0.87 0.00 0.00 66.00 64.69 1vfi h PRO 19 Cb 0.43 0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.67 1vfi h PRO 19 CO 0.02 1.06 -0.22 1.25 -0.23 0.00 0.00 178.00 179.89 1vfi h LEU 20 N 0.25 -0.51 0.03 1.56 7.12 -1.83 0.65 115.31 122.58 1vfi h LEU 20 Ca -0.06 0.01 0.01 0.00 0.13 0.00 0.00 57.88 57.97 1vfi h LEU 20 Cb 1.47 0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 41.72 1vfi h LEU 20 CO 0.15 -0.36 -0.07 0.74 -0.13 0.00 0.00 178.44 178.77 1vfi h THR 21 N -0.62 0.83 -0.67 1.05 2.02 -1.52 -2.32 112.91 111.69 1vfi h THR 21 Ca -0.06 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.26 1vfi h THR 21 Cb 0.47 0.83 -0.10 0.00 -1.74 0.00 0.00 68.15 67.61 1vfi h THR 21 CO 0.10 0.00 0.11 0.00 0.37 0.00 0.00 175.52 176.10 1vfi h ALA 22 N 0.82 0.78 -0.74 6.16 0.00 -1.26 0.68 119.26 125.71 1vfi h ALA 22 Ca 0.02 0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.18 1vfi h ALA 22 Cb 0.15 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 18.08 1vfi h ALA 22 CO -0.05 -0.35 -0.53 0.00 0.00 0.00 0.00 179.25 178.33 1vfi h LYS 24 N -0.16 -0.20 0.00 0.00 1.57 -0.96 -1.73 116.57 115.09 1vfi h LYS 24 Ca 0.16 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1vfi h LYS 24 Cb 0.52 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 1vfi h LYS 24 CO -0.79 -0.13 -0.25 0.93 -0.57 0.00 0.00 179.45 178.63 1vfi h GLU 25 N -0.21 -0.30 -0.98 3.15 4.39 0.15 0.94 114.58 121.72 1vfi h GLU 25 Ca 0.03 0.02 0.15 0.00 0.34 0.00 0.00 59.36 59.90 1vfi h GLU 25 Cb 0.24 0.07 -0.16 0.00 -0.10 0.00 0.00 28.75 28.80 1vfi h GLU 25 CO -0.08 -0.20 -0.38 1.17 -1.16 0.00 0.00 179.01 178.35 1vfi n LYS 26 N -3.87 -0.23 0.12 2.33 4.81 0.49 0.90 118.16 122.71 1vfi n LYS 26 Ca -0.03 1.51 -0.13 0.00 -0.87 0.00 0.00 58.31 58.78 1vfi n LYS 26 Cb 0.18 -2.24 -0.06 0.00 0.02 0.00 0.00 35.03 32.94 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 0.38 -0.10 -0.07 0.00 0.00 0.75 0.79 119.26 121.01 1vfi h ALA 28 Ca 0.01 0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1vfi h ALA 28 Cb 0.40 1.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 1vfi h ALA 28 CO -0.08 -0.75 -0.08 0.93 0.00 0.00 0.00 179.25 179.27 1vfi h GLU 29 N -0.00 -0.10 -0.38 0.00 4.39 -0.33 -0.07 114.58 118.09 1vfi h GLU 29 Ca 0.28 0.01 0.11 0.00 0.34 0.00 0.00 59.36 60.09 1vfi h GLU 29 Cb 0.53 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 1vfi h GLU 29 CO -0.97 -0.07 0.36 0.77 -1.16 0.00 0.00 179.01 177.94 1vfi h SER 30 N -0.10 0.00 -2.15 1.42 0.02 0.17 -0.92 113.55 111.99 1vfi h SER 30 Ca 0.05 0.00 -0.72 0.00 -0.84 0.00 0.00 61.79 60.29 1vfi h SER 30 Cb 0.18 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 62.39 1vfi h SER 30 CO -0.13 0.00 0.37 0.00 -1.14 0.00 0.00 176.83 175.94 1vfi h GLU 32 N 3.50 -0.01 -2.01 0.00 5.08 -1.06 -3.37 114.58 116.70 1vfi h GLU 32 Ca 0.40 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 58.20 1vfi h GLU 32 Cb 0.39 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.22 1vfi h GLU 32 CO 1.08 0.67 -0.79 0.25 -1.00 0.00 0.00 179.01 179.22 1vfi n THR 33 N -4.76 2.25 -3.95 1.13 -2.24 -1.26 -5.07 114.28 100.37 1vfi n THR 33 Ca -0.09 -5.13 -0.26 0.00 -2.27 0.00 0.00 64.05 56.30 1vfi n THR 33 Cb 0.34 -1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 67.50 1vfi n THR 33 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1vfi s SER 34 N -3.28 6.33 0.03 3.42 0.01 -1.26 -5.04 113.70 113.90 1vfi s SER 34 Ca 0.46 0.16 -0.14 0.00 1.31 0.00 0.00 55.95 57.74 1vfi s SER 34 Cb 0.33 -1.90 -0.07 0.00 0.21 0.00 0.00 66.02 64.58 1vfi s SER 34 CO -0.13 0.04 1.22 0.00 0.41 0.00 0.00 173.24 174.78 1vfi h ALA 35 N 2.05 -1.04 -2.81 1.44 0.00 -1.97 -3.34 119.26 113.59 1vfi h ALA 35 Ca -0.49 -0.10 -0.79 0.00 0.00 0.00 0.00 54.91 53.54 1vfi h ALA 35 Cb 1.20 0.30 -0.26 0.00 0.00 0.00 0.00 17.79 19.03 1vfi h ALA 35 CO 0.68 -1.02 0.08 -0.51 0.00 0.00 0.00 179.25 178.48 1vfi s ASP 36 N -2.89 6.72 -0.09 0.00 1.01 -1.26 -4.87 116.67 115.30 1vfi s ASP 36 Ca -0.07 -2.67 -0.09 0.00 0.71 0.00 0.00 52.55 50.43 1vfi s ASP 36 Cb 0.01 -2.20 -0.06 0.00 1.01 0.00 0.00 42.92 41.67 1vfi s ASP 36 CO 0.23 -0.58 0.30 0.11 0.21 0.00 0.00 175.17 175.44 1vfi h LYS 37 N 7.80 -0.12 -1.02 8.23 1.57 -1.91 0.11 116.57 131.22 1vfi h LYS 37 Ca 0.09 0.01 0.31 0.00 -1.87 0.00 0.00 60.65 59.19 1vfi h LYS 37 Cb 1.04 0.03 -0.14 0.00 0.08 0.00 0.00 32.23 33.24 1vfi h LYS 37 CO 0.76 0.08 0.59 -0.22 -0.57 0.00 0.00 179.45 180.09 1vfi h LYS 38 N -1.01 0.37 0.29 3.15 3.64 -1.94 0.36 116.57 121.42 1vfi h LYS 38 Ca -0.01 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1vfi h LYS 38 Cb 0.25 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1vfi h LYS 38 CO 0.02 0.24 -0.14 1.15 -2.27 0.00 0.00 179.45 178.46 1vfi h THR 39 N 0.38 0.14 -0.73 1.00 2.02 -1.96 -3.05 112.91 110.71 1vfi h THR 39 Ca 0.71 -0.77 0.07 0.00 0.77 0.00 0.00 66.41 67.19 1vfi h THR 39 Cb 1.60 0.24 -0.10 0.00 -1.74 0.00 0.00 68.15 68.15 1vfi h THR 39 CO -0.55 0.04 -0.53 0.00 0.37 0.00 0.00 175.52 174.85 1vfi h ARG 41 N -0.12 0.14 0.08 0.00 3.08 -0.47 0.46 114.38 117.54 1vfi h ARG 41 Ca 0.12 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 1vfi h ARG 41 Cb 0.43 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1vfi h ARG 41 CO -0.75 0.09 -0.04 0.00 -1.07 0.00 0.00 179.97 178.20 1vfi h ARG 42 N 0.14 -0.10 -1.02 0.04 -0.00 0.14 -3.19 114.38 110.40 1vfi h ARG 42 Ca 0.74 0.01 0.26 0.00 -0.50 0.00 0.00 59.98 60.48 1vfi h ARG 42 Cb 1.76 0.02 -0.12 0.00 0.00 0.00 0.00 29.97 31.63 1vfi h ARG 42 CO -0.72 0.44 0.61 -0.91 0.00 0.00 0.00 179.97 179.39 1vfi h ASN 43 N -0.74 0.62 -0.98 7.04 2.35 0.43 0.70 115.58 124.99 1vfi h ASN 43 Ca -0.01 0.13 0.33 0.00 -0.55 0.00 0.00 56.30 56.20 1vfi h ASN 43 Cb 0.59 0.04 -0.16 0.00 0.05 0.00 0.00 38.32 38.84 1vfi h ASN 43 CO 0.02 0.07 0.48 0.00 -1.65 0.00 0.00 177.43 176.35 1vfi h LYS 45 N 0.22 0.25 0.00 0.00 3.64 0.31 0.33 116.57 121.31 1vfi h LYS 45 Ca 0.72 -0.01 -0.23 0.00 -1.27 0.00 0.00 60.65 59.86 1vfi h LYS 45 Cb 1.68 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 33.41 1vfi h LYS 45 CO -0.67 0.16 -1.18 0.87 -2.27 0.00 0.00 179.45 176.36 1vfi h LYS 46 N 0.26 0.00 -0.48 1.90 1.79 0.19 -1.50 116.57 118.73 1vfi h LYS 46 Ca 0.34 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.88 1vfi h LYS 46 Cb 0.53 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.09 1vfi h LYS 46 CO -0.44 0.85 -0.50 0.00 -1.08 0.00 0.00 179.45 178.28 1vfi h ALA 47 N 1.01 -0.58 0.00 3.86 0.00 0.42 -3.40 119.26 120.57 1vfi h ALA 47 Ca -0.08 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1vfi h ALA 47 Cb 1.82 1.05 -0.11 0.00 0.00 0.00 0.00 17.79 20.55 1vfi h ALA 47 CO 0.11 -0.95 -0.01 -3.47 0.00 0.00 0.00 179.25 174.93 1vfi n ASP 48 N -5.39 -1.41 -2.37 0.00 2.03 -0.67 -4.99 116.55 103.75 1vfi n ASP 48 Ca -0.01 -2.15 -0.02 0.00 0.52 0.00 0.00 54.79 53.12 1vfi n ASP 48 Cb 0.34 1.26 0.08 0.00 -0.72 0.00 0.00 41.12 42.08 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 1.16 0.14 -0.06 0.00 4.39 -1.77 -2.58 114.58 115.86 1vfi h GLU 50 Ca -0.39 -0.19 -0.25 0.00 0.34 0.00 0.00 59.36 58.87 1vfi h GLU 50 Cb 1.35 0.06 0.02 0.00 -0.10 0.00 0.00 28.75 30.07 1vfi h GLU 50 CO -0.12 1.00 -0.94 -1.00 -1.16 0.00 0.00 179.01 176.79 1vfi h PRO 51 N -0.64 0.74 0.17 2.33 0.13 -1.92 -2.85 132.00 129.96 1vfi h PRO 51 Ca -0.04 -0.72 -0.01 0.00 -0.87 0.00 0.00 66.00 64.37 1vfi h PRO 51 Cb 1.12 0.18 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 1vfi h PRO 51 CO 0.05 1.30 -0.10 1.96 -0.23 0.00 0.00 178.00 180.98 1vfi h GLN 52 N 0.45 -0.25 -0.96 0.86 4.20 -1.92 0.16 115.11 117.65 1vfi h GLN 52 Ca -0.10 0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.74 1vfi h GLN 52 Cb 1.59 0.06 -0.08 0.00 0.30 0.00 0.00 27.48 29.35 1vfi h GLN 52 CO 0.19 -0.17 0.61 0.22 -0.67 0.00 0.00 178.83 179.01 1vfi h ASP 53 N -0.26 0.87 0.61 1.46 3.58 -1.54 -0.25 116.42 120.89 1vfi h ASP 53 Ca -0.02 0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.44 1vfi h ASP 53 Cb 0.21 -0.14 0.01 0.00 1.72 0.00 0.00 39.33 41.13 1vfi h ASP 53 CO 0.02 0.48 -0.29 0.11 -2.88 0.00 0.00 179.24 176.68 1vfi h LYS 54 N 0.94 -0.79 -0.91 0.28 1.57 -1.13 -2.00 116.57 114.53 1vfi h LYS 54 Ca 0.46 0.05 0.17 0.00 -1.87 0.00 0.00 60.65 59.47 1vfi h LYS 54 Cb 0.47 0.18 -0.17 0.00 0.08 0.00 0.00 32.23 32.79 1vfi h LYS 54 CO -0.22 -0.53 -0.26 0.28 -0.57 0.00 0.00 179.45 178.14 1vfi h VAL 55 N -0.94 0.08 -0.07 0.50 2.07 -0.27 0.16 116.25 117.78 1vfi h VAL 55 Ca -0.08 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.45 1vfi h VAL 55 Cb 0.63 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1vfi h VAL 55 CO 0.14 0.00 -0.23 0.00 0.02 0.00 0.00 177.57 177.50 1vfi h ASP 57 N -0.23 0.00 -0.82 0.00 3.58 -0.02 1.46 116.42 120.40 1vfi h ASP 57 Ca 0.02 0.24 0.19 0.00 0.42 0.00 0.00 57.03 57.90 1vfi h ASP 57 Cb 0.28 0.32 -0.12 0.00 1.72 0.00 0.00 39.33 41.53 1vfi h ASP 57 CO -0.19 -0.29 0.24 0.00 -2.88 0.00 0.00 179.24 176.12 1vfi h ALA 58 N 1.91 1.15 0.35 -0.78 0.00 0.17 0.41 119.26 122.47 1vfi h ALA 58 Ca 0.67 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.76 1vfi h ALA 58 Cb 1.52 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.52 1vfi h ALA 58 CO -0.76 -0.37 -0.47 0.00 0.00 0.00 0.00 179.25 177.65 1vfi h ARG 60 N -0.85 0.19 0.19 0.00 3.08 -0.86 1.19 114.38 117.32 1vfi h ARG 60 Ca -0.04 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1vfi h ARG 60 Cb 0.77 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1vfi h ARG 60 CO -0.13 0.13 -0.09 1.98 -1.07 0.00 0.00 179.97 180.79 1vfi h MET 61 N 0.20 -0.25 0.12 0.04 4.05 0.17 -2.41 114.93 116.84 1vfi h MET 61 Ca 0.37 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.80 1vfi h MET 61 Cb 1.18 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 32.03 1vfi h MET 61 CO -0.07 0.12 -0.06 0.87 0.23 0.00 0.00 176.91 178.01 1vfi h LYS 62 N -0.92 -0.15 -0.52 0.39 6.56 0.29 -2.53 116.57 119.69 1vfi h LYS 62 Ca -0.03 0.01 0.08 0.00 -1.06 0.00 0.00 60.65 59.65 1vfi h LYS 62 Cb 0.49 0.03 -0.10 0.00 -0.57 0.00 0.00 32.23 32.09 1vfi h LYS 62 CO 0.04 -0.02 -0.46 0.00 -2.06 0.00 0.00 179.45 176.96 1vfi h HIS 64 N -0.28 -1.75 -0.17 0.00 -0.00 -1.23 1.75 115.15 113.48 1vfi h HIS 64 Ca 0.15 0.10 0.01 0.00 -0.00 0.00 0.00 60.37 60.63 1vfi h HIS 64 Cb 0.57 0.85 -0.01 0.00 -0.00 0.00 0.00 27.41 28.83 1vfi h HIS 64 CO -0.70 -0.42 0.11 -0.22 -0.00 0.00 0.00 177.93 176.70 1vfi h LYS 65 N -0.20 0.18 0.63 5.26 3.64 -0.62 0.40 116.57 125.86 1vfi h LYS 65 Ca 0.11 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1vfi h LYS 65 Cb 0.49 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1vfi h LYS 65 CO -0.74 0.12 -0.31 0.00 -2.27 0.00 0.00 179.45 176.25 1vfi h ALA 66 N 1.90 -0.85 -0.37 5.00 0.00 1.11 0.12 119.26 126.18 1vfi h ALA 66 Ca 0.07 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.82 1vfi h ALA 66 Cb 0.04 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1vfi h ALA 66 CO -0.01 -0.83 0.11 0.00 0.00 0.00 0.00 179.25 178.51 1vfi h ARG 68 N 0.25 -0.68 0.00 0.00 2.43 -0.19 0.54 114.38 116.73 1vfi h ARG 68 Ca 0.17 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1vfi h ARG 68 Cb 0.17 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1vfi h ARG 68 CO -0.19 -0.45 0.00 0.00 -1.51 0.00 0.00 179.97 177.81 1vfi n ALA 69 N -2.91 1.15 -0.53 2.80 0.00 0.42 0.09 120.51 121.53 1vfi n ALA 69 Ca -0.08 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1vfi n ALA 69 Cb 0.40 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.79 -0.06 -0.04 0.00 0.00 0.17 -4.29 120.51 114.50 1vfi n ALA 70 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.42 1vfi n ALA 70 Cb 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.52 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 0.00 0.00 0.00 2.35 -0.88 -3.38 115.58 113.68 1vfi h ASN 71 Ca 0.00 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.17 1vfi h ASN 71 Cb 0.00 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.40 1vfi h ASN 71 CO 0.00 0.46 2.51 0.00 -1.65 0.00 0.00 177.43 178.75 1vfi h ALA 73 N 7.17 0.13 0.07 0.00 0.00 -1.70 -3.33 119.26 121.60 1vfi h ALA 73 Ca 0.47 -0.97 -0.35 0.00 0.00 0.00 0.00 54.91 54.07 1vfi h ALA 73 Cb 0.50 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1vfi h ALA 73 CO 1.80 0.61 -1.98 0.43 0.00 0.00 0.00 179.25 180.11 1vfi n SER 74 N -4.16 1.59 -0.25 0.00 7.64 -1.26 -4.03 113.62 113.15 1vfi n SER 74 Ca -0.23 0.22 0.31 0.00 1.01 0.00 0.00 58.87 60.19 1vfi n SER 74 Cb 0.78 -0.45 0.72 0.00 -1.01 0.00 0.00 64.21 64.24 1vfi n SER 74 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1vfi h GLU 75 N 0.04 0.03 -4.45 1.43 3.07 -1.86 -3.30 114.58 109.55 1vfi h GLU 75 Ca -0.41 -0.00 -0.72 0.00 -0.50 0.00 0.00 59.36 57.73 1vfi h GLU 75 Cb 2.03 -0.01 -0.24 0.00 -0.84 0.00 0.00 28.75 29.69 1vfi h GLU 75 CO 0.06 0.02 -0.43 0.00 -1.40 0.00 0.00 179.01 177.27 1vfi s PRO 77 N 1.58 2.18 -1.32 0.00 0.04 -1.24 -4.89 135.00 131.34 1vfi s PRO 77 Ca 0.03 0.67 -0.12 0.00 0.04 0.00 0.00 61.00 61.63 1vfi s PRO 77 Cb -0.22 -1.93 0.13 0.00 0.04 0.00 0.00 34.50 32.53 1vfi s PRO 77 CO 0.06 -1.56 1.91 1.17 0.04 0.00 0.00 177.00 178.62 1vfi n LYS 78 N -3.40 3.36 0.04 4.56 3.00 -1.26 -3.95 118.16 120.51 1vfi n LYS 78 Ca 0.07 -3.30 0.00 0.00 -0.00 0.00 0.00 58.31 55.08 1vfi n LYS 78 Cb 0.56 -3.07 0.00 0.00 0.00 0.00 0.00 35.03 32.52 1vfi n LYS 78 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1vfi n HIS 79 N 4.94 -2.25 -0.37 5.64 -0.00 -1.26 -5.15 115.22 116.77 1vfi n HIS 79 Ca 0.43 0.26 -0.15 0.00 0.46 0.00 0.00 57.72 58.72 1vfi n HIS 79 Cb 0.38 0.94 0.14 0.00 -0.12 0.00 0.00 29.99 31.33 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 -2.68 -2.90 0.08 1.57 1.02 -1.25 -5.04 120.64 111.44 1vfi n GLU 80 Ca 0.00 -0.77 0.00 0.00 -0.02 0.00 0.00 57.16 56.37 1vfi n GLU 80 Cb 0.00 -0.88 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 1vfi n GLU 80 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 1vfi n HIS 81 N -4.11 -0.95 -3.73 -0.32 1.44 -1.26 -4.91 115.22 101.38 1vfi n HIS 81 Ca 0.07 0.17 -0.28 0.00 -2.01 0.00 0.00 57.72 55.67 1vfi n HIS 81 Cb 0.29 0.22 -0.11 0.00 0.12 0.00 0.00 29.99 30.51 1vfi n HIS 81 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1vfi s LYS 82 N -2.00 1.91 0.03 -1.40 1.02 -1.26 -5.06 119.74 112.98 1vfi s LYS 82 Ca 0.00 -2.89 -0.27 0.00 0.02 0.00 0.00 55.97 52.83 1vfi s LYS 82 Cb 0.00 -2.74 -0.05 0.00 -0.52 0.00 0.00 37.83 34.53 1vfi s LYS 82 CO 0.00 -1.31 0.85 -1.54 -0.92 0.00 0.00 175.35 172.43 1vfi s SER 83 N -0.88 7.28 0.18 2.83 1.04 -1.26 -4.88 113.70 118.01 1vfi s SER 83 Ca 0.27 1.53 -0.26 0.00 0.48 0.00 0.00 55.95 57.98 1vfi s SER 83 Cb -0.03 -2.51 0.05 0.00 0.10 0.00 0.00 66.02 63.62 1vfi s SER 83 CO -0.17 -0.10 1.55 0.44 0.98 0.00 0.00 173.24 175.95 1vfi h ASP 84 N 6.14 -1.78 -0.87 7.02 3.32 -1.97 0.76 116.42 129.04 1vfi h ASP 84 Ca -0.42 0.30 0.20 0.00 0.02 0.00 0.00 57.03 57.12 1vfi h ASP 84 Cb 1.21 0.83 -0.16 0.00 0.22 0.00 0.00 39.33 41.42 1vfi h ASP 84 CO 0.73 -0.28 -0.10 0.00 -1.72 0.00 0.00 179.24 177.87 1vfi h THR 85 N -0.07 0.16 0.17 0.35 1.03 -1.92 1.59 112.91 114.21 1vfi h THR 85 Ca 0.22 -0.01 -0.01 0.00 -0.01 0.00 0.00 66.41 66.60 1vfi h THR 85 Cb 0.51 0.12 0.00 0.00 -1.07 0.00 0.00 68.15 67.72 1vfi h THR 85 CO -0.88 0.01 -0.08 0.00 -0.01 0.00 0.00 175.52 174.55 1vfi h ARG 87 N -0.47 0.55 0.00 0.00 3.08 0.38 0.79 114.38 118.71 1vfi h ARG 87 Ca -0.02 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 1vfi h ARG 87 Cb 0.36 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1vfi h ARG 87 CO 0.04 0.36 -0.47 0.00 -1.07 0.00 0.00 179.97 178.84 1vfi h ALA 88 N 1.61 1.18 0.13 0.04 0.00 0.25 0.38 119.26 122.85 1vfi h ALA 88 Ca 0.46 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1vfi h ALA 88 Cb 0.91 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1vfi h ALA 88 CO -0.20 0.58 -0.06 0.00 0.00 0.00 0.00 179.25 179.57 1vfi h MET 90 N -1.01 0.00 -0.94 0.00 -0.00 -0.06 0.46 114.93 113.37 1vfi h MET 90 Ca -0.02 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.71 1vfi h MET 90 Cb 0.32 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 31.87 1vfi h MET 90 CO 0.03 0.02 0.62 -0.22 -0.00 0.00 0.00 176.91 177.36 1vfi h LYS 91 N 0.00 1.19 0.00 -0.10 3.64 -0.27 0.14 116.57 121.17 1vfi h LYS 91 Ca -0.00 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 1vfi h LYS 91 Cb 0.08 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 1vfi h LYS 91 CO 0.00 0.79 -1.14 2.41 -2.27 0.00 0.00 179.45 179.24 1vfi n THR 92 N -4.46 1.50 0.03 1.00 -1.04 -0.55 -4.41 114.28 106.34 1vfi n THR 92 Ca 0.12 0.09 -0.12 0.00 -2.04 0.00 0.00 64.05 62.09 1vfi n THR 92 Cb 0.06 -2.30 -0.05 0.00 -1.82 0.00 0.00 70.33 66.21 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 -1.13 0.00 8.00 2.35 -0.25 -3.43 115.58 120.12 1vfi h ASN 93 Ca -0.08 0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1vfi h ASN 93 Cb 1.04 0.46 0.00 0.00 0.05 0.00 0.00 38.32 39.86 1vfi h ASN 93 CO -0.05 -0.41 0.00 0.00 -1.65 0.00 0.00 177.43 175.32