#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 2.39 -4.61 4.38 7.64 -1.26 -4.84 113.62 117.33 1vfi n SER 2 Ca 0.00 0.86 -0.43 0.00 1.01 0.00 0.00 58.87 60.31 1vfi n SER 2 Cb 0.00 -1.19 -0.02 0.00 -1.01 0.00 0.00 64.21 61.98 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 4.51 3.63 0.31 1.43 2.02 -1.26 -4.82 118.70 124.52 1vfi s GLU 3 Ca 1.02 0.99 0.00 0.00 0.02 0.00 0.00 54.97 57.00 1vfi s GLU 3 Cb -0.98 -4.00 0.00 0.00 0.10 0.00 0.00 34.13 29.25 1vfi s GLU 3 CO 0.59 -1.50 0.00 1.19 0.02 0.00 0.00 175.26 175.56 1vfi n PHE 4 N 8.64 -2.69 -1.39 1.61 3.72 -1.26 -5.00 117.46 121.08 1vfi n PHE 4 Ca 0.16 1.38 0.00 0.00 -0.05 0.00 0.00 57.45 58.94 1vfi n PHE 4 Cb 0.48 -2.45 0.00 0.00 -0.94 0.00 0.00 39.48 36.57 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 -2.45 -1.81 -1.79 4.37 0.00 -1.26 -4.88 120.51 112.69 1vfi n ALA 5 Ca -0.01 0.42 -0.35 0.00 0.00 0.00 0.00 53.44 53.49 1vfi n ALA 5 Cb 0.63 -1.34 -0.04 0.00 0.00 0.00 0.00 19.45 18.70 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 -4.80 3.99 0.56 0.00 0.04 -1.26 -4.98 135.00 128.55 1vfi s PRO 6 Ca 0.00 1.45 -0.19 0.00 0.04 0.00 0.00 61.00 62.30 1vfi s PRO 6 Cb 0.00 -2.33 -0.08 0.00 0.04 0.00 0.00 34.50 32.13 1vfi s PRO 6 CO 0.00 -0.29 0.68 0.28 0.04 0.00 0.00 177.00 177.71 1vfi n VAL 7 N -0.50 2.68 -3.51 -0.36 0.31 -1.26 -4.82 118.33 110.87 1vfi n VAL 7 Ca 0.07 -0.50 -0.19 0.00 -0.01 0.00 0.00 64.34 63.71 1vfi n VAL 7 Cb 0.51 -0.83 -0.01 0.00 -0.91 0.00 0.00 33.84 32.59 1vfi n VAL 7 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1vfi s ASP 8 N -1.16 5.80 0.00 4.52 -4.77 -1.26 -4.41 116.67 115.38 1vfi s ASP 8 Ca 0.70 -0.28 0.00 0.00 -3.30 0.00 0.00 52.55 49.68 1vfi s ASP 8 Cb -0.45 -1.13 0.00 0.00 -1.09 0.00 0.00 42.92 40.25 1vfi s ASP 8 CO 0.52 -0.44 0.00 0.00 0.70 0.00 0.00 175.17 175.95 1vfi h LYS 10 N 0.00 -0.45 0.31 0.00 1.57 -1.96 0.32 116.57 116.37 1vfi h LYS 10 Ca 0.00 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1vfi h LYS 10 Cb 0.24 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1vfi h LYS 10 CO 0.00 -0.30 -0.15 0.78 -0.57 0.00 0.00 179.45 179.21 1vfi h GLY 11 N -0.47 -0.44 -0.64 3.86 0.00 -2.01 -3.02 103.07 100.35 1vfi h GLY 11 Ca 0.08 0.16 0.35 0.00 0.00 0.00 0.00 47.33 47.92 1vfi h GLY 11 CO -0.35 -0.16 0.61 1.46 0.00 0.00 0.00 176.54 178.10 1vfi h GLN 12 N -0.75 0.25 -5.29 4.80 1.08 -1.75 -2.95 115.11 110.50 1vfi h GLN 12 Ca -0.04 -0.01 -0.58 0.00 -1.45 0.00 0.00 58.65 56.56 1vfi h GLN 12 Cb 0.50 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.83 1vfi h GLN 12 CO 0.07 0.16 2.03 0.00 -0.95 0.00 0.00 178.83 180.15 1vfi n THR 14 N 6.56 0.31 -0.03 0.00 -1.04 -1.12 -4.11 114.28 114.86 1vfi n THR 14 Ca 0.48 -0.10 -0.15 0.00 -2.04 0.00 0.00 64.05 62.24 1vfi n THR 14 Cb 0.44 -1.04 -0.09 0.00 -1.82 0.00 0.00 70.33 67.83 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 -0.08 1.41 0.00 12.58 2.02 -1.89 0.56 112.91 127.51 1vfi h THR 15 Ca -0.13 -1.76 -0.10 0.00 0.77 0.00 0.00 66.41 65.19 1vfi h THR 15 Cb 1.16 2.31 -0.01 0.00 -1.74 0.00 0.00 68.15 69.87 1vfi h THR 15 CO -0.05 0.51 -0.49 1.55 0.37 0.00 0.00 175.52 177.41 1vfi h PRO 16 N -0.11 0.00 -0.34 6.66 0.13 -1.87 -2.90 132.00 133.57 1vfi h PRO 16 Ca -0.02 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.09 1vfi h PRO 16 Cb 1.01 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 1vfi h PRO 16 CO 0.07 0.49 0.01 0.00 -0.23 0.00 0.00 178.00 178.35 1vfi h GLU 18 N 2.15 0.07 0.00 0.00 4.81 0.35 -1.37 114.58 120.59 1vfi h GLU 18 Ca 0.02 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1vfi h GLU 18 Cb 1.58 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.97 1vfi h GLU 18 CO 0.30 0.70 0.00 -0.35 -0.73 0.00 0.00 179.01 178.93 1vfi n PRO 19 N -4.71 0.47 -0.05 0.92 -0.04 -1.26 -2.74 135.00 127.58 1vfi n PRO 19 Ca -0.09 0.05 -0.04 0.00 -0.04 0.00 0.00 63.50 63.38 1vfi n PRO 19 Cb 0.36 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.30 1vfi n PRO 19 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1vfi n LEU 20 N -1.19 1.26 -0.18 1.53 7.94 -1.17 -3.82 117.00 121.38 1vfi n LEU 20 Ca 0.13 0.41 -0.05 0.00 -1.11 0.00 0.00 56.01 55.39 1vfi n LEU 20 Cb 0.15 -0.72 0.01 0.00 0.53 0.00 0.00 43.42 43.38 1vfi n LEU 20 CO 0.16 -0.43 0.64 0.74 -1.11 0.00 0.00 177.39 177.39 1vfi h THR 21 N -0.68 0.21 -0.98 1.96 2.02 -1.31 0.77 112.91 114.91 1vfi h THR 21 Ca 0.00 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.40 1vfi h THR 21 Cb 0.47 0.21 -0.08 0.00 -1.74 0.00 0.00 68.15 67.01 1vfi h THR 21 CO 0.00 0.00 0.63 0.00 0.37 0.00 0.00 175.52 176.52 1vfi h ALA 22 N 0.99 2.12 0.82 6.16 0.00 -1.75 0.95 119.26 128.56 1vfi h ALA 22 Ca 0.22 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1vfi h ALA 22 Cb 0.54 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1vfi h ALA 22 CO -0.63 -0.47 -0.39 0.00 0.00 0.00 0.00 179.25 177.76 1vfi h LYS 24 N -1.28 0.20 0.08 0.00 1.57 0.59 -0.11 116.57 117.62 1vfi h LYS 24 Ca -0.11 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1vfi h LYS 24 Cb 0.84 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 1vfi h LYS 24 CO 0.18 0.13 -0.08 0.93 -0.57 0.00 0.00 179.45 180.05 1vfi h GLU 25 N 0.20 -0.15 -0.99 3.15 4.39 0.95 1.43 114.58 123.55 1vfi h GLU 25 Ca 0.23 0.01 0.28 0.00 0.34 0.00 0.00 59.36 60.21 1vfi h GLU 25 Cb 0.30 0.03 -0.19 0.00 -0.10 0.00 0.00 28.75 28.80 1vfi h GLU 25 CO -0.31 -0.10 0.03 1.17 -1.16 0.00 0.00 179.01 178.64 1vfi n LYS 26 N -2.75 -0.08 0.11 2.33 4.81 0.12 0.14 118.16 122.84 1vfi n LYS 26 Ca -0.02 1.48 -0.13 0.00 -0.87 0.00 0.00 58.31 58.77 1vfi n LYS 26 Cb 0.07 -2.36 -0.08 0.00 0.02 0.00 0.00 35.03 32.68 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 0.33 0.60 0.28 0.00 0.00 1.07 1.15 119.26 122.69 1vfi h ALA 28 Ca -0.02 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1vfi h ALA 28 Cb 0.35 0.58 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1vfi h ALA 28 CO 0.04 -0.42 -0.42 0.93 0.00 0.00 0.00 179.25 179.38 1vfi h GLU 29 N 0.02 -0.74 0.00 0.00 4.39 -0.30 0.64 114.58 118.59 1vfi h GLU 29 Ca 0.40 0.05 -0.00 0.00 0.34 0.00 0.00 59.36 60.15 1vfi h GLU 29 Cb 0.64 0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.46 1vfi h GLU 29 CO -0.80 -0.49 -0.00 1.03 -1.16 0.00 0.00 179.01 177.58 1vfi h SER 30 N -0.76 0.00 -1.86 1.42 0.87 -0.29 -1.88 113.55 111.05 1vfi h SER 30 Ca -0.01 0.00 -0.70 0.00 -1.23 0.00 0.00 61.79 59.85 1vfi h SER 30 Cb 0.72 0.00 -0.33 0.00 -0.44 0.00 0.00 62.40 62.35 1vfi h SER 30 CO -0.15 0.00 0.36 0.00 -0.53 0.00 0.00 176.83 176.52 1vfi n GLU 32 N -0.48 0.50 0.16 0.00 1.02 -0.71 -4.39 120.64 116.75 1vfi n GLU 32 Ca 0.47 0.48 0.03 0.00 -0.02 0.00 0.00 57.16 58.13 1vfi n GLU 32 Cb 0.39 -1.66 0.23 0.00 -0.02 0.00 0.00 31.44 30.38 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 -1.00 1.02 -1.30 2.62 1.35 -1.83 -3.45 112.91 110.33 1vfi h THR 33 Ca -0.13 -1.86 -0.71 0.00 -0.55 0.00 0.00 66.41 63.15 1vfi h THR 33 Cb 0.85 2.11 -0.00 0.00 -1.73 0.00 0.00 68.15 69.37 1vfi h THR 33 CO -0.08 0.47 1.12 -1.20 -0.25 0.00 0.00 175.52 175.58 1vfi n SER 34 N -3.51 2.24 -0.03 5.36 7.64 -1.26 -4.84 113.62 119.22 1vfi n SER 34 Ca 0.00 0.82 -0.03 0.00 1.01 0.00 0.00 58.87 60.67 1vfi n SER 34 Cb 0.59 -1.17 -0.02 0.00 -1.01 0.00 0.00 64.21 62.60 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 9.20 -0.43 -0.69 -0.43 0.00 -1.94 -3.02 119.26 121.95 1vfi h ALA 35 Ca -0.37 -0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.01 1vfi h ALA 35 Cb 1.32 0.78 -0.06 0.00 0.00 0.00 0.00 17.79 19.83 1vfi h ALA 35 CO 0.99 -0.49 1.69 -0.51 0.00 0.00 0.00 179.25 180.93 1vfi s ASP 36 N -3.23 6.03 0.04 0.00 1.01 -1.26 -4.75 116.67 114.51 1vfi s ASP 36 Ca -0.03 -2.08 -0.31 0.00 0.71 0.00 0.00 52.55 50.84 1vfi s ASP 36 Cb 0.02 -2.58 -0.17 0.00 1.01 0.00 0.00 42.92 41.19 1vfi s ASP 36 CO 0.14 -2.03 1.35 0.11 0.21 0.00 0.00 175.17 174.95 1vfi h LYS 37 N 8.58 -0.96 -0.74 8.23 1.57 -1.83 -1.61 116.57 129.81 1vfi h LYS 37 Ca 0.34 0.07 0.07 0.00 -1.87 0.00 0.00 60.65 59.26 1vfi h LYS 37 Cb 0.90 0.22 -0.10 0.00 0.08 0.00 0.00 32.23 33.33 1vfi h LYS 37 CO 1.35 -0.62 -0.55 -0.22 -0.57 0.00 0.00 179.45 178.84 1vfi h LYS 38 N -1.16 -0.14 -0.74 3.15 3.64 -1.91 1.44 116.57 120.86 1vfi h LYS 38 Ca -0.10 0.01 0.17 0.00 -1.27 0.00 0.00 60.65 59.46 1vfi h LYS 38 Cb 0.79 0.03 -0.12 0.00 -0.41 0.00 0.00 32.23 32.51 1vfi h LYS 38 CO 0.17 -0.09 0.06 1.15 -2.27 0.00 0.00 179.45 178.47 1vfi h THR 39 N -0.15 0.40 0.15 1.00 2.02 -1.95 0.55 112.91 114.93 1vfi h THR 39 Ca 0.12 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 1vfi h THR 39 Cb 0.46 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1vfi h THR 39 CO -0.77 0.03 -0.07 0.00 0.37 0.00 0.00 175.52 175.07 1vfi h ARG 41 N -0.33 0.00 0.02 0.00 3.08 0.42 -0.53 114.38 117.04 1vfi h ARG 41 Ca -0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1vfi h ARG 41 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1vfi h ARG 41 CO 0.03 0.00 -0.01 0.00 -1.07 0.00 0.00 179.97 178.93 1vfi h ARG 42 N 0.00 -0.02 -1.11 0.04 -0.00 0.83 -3.28 114.38 110.84 1vfi h ARG 42 Ca 0.31 0.00 0.30 0.00 -0.50 0.00 0.00 59.98 60.10 1vfi h ARG 42 Cb 1.27 0.00 -0.09 0.00 0.00 0.00 0.00 29.97 31.16 1vfi h ARG 42 CO -0.00 0.65 0.73 -0.91 0.00 0.00 0.00 179.97 180.44 1vfi h ASN 43 N -0.97 0.32 -0.78 7.04 2.35 0.66 0.85 115.58 125.05 1vfi h ASN 43 Ca -0.00 0.07 0.16 0.00 -0.55 0.00 0.00 56.30 55.98 1vfi h ASN 43 Cb 0.68 0.02 -0.10 0.00 0.05 0.00 0.00 38.32 38.97 1vfi h ASN 43 CO 0.00 0.03 0.29 0.00 -1.65 0.00 0.00 177.43 176.11 1vfi h LYS 45 N 0.40 0.08 0.00 0.00 3.64 0.60 0.92 116.57 122.21 1vfi h LYS 45 Ca 0.44 -0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.64 1vfi h LYS 45 Cb 0.72 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.49 1vfi h LYS 45 CO -0.45 0.05 -1.64 1.63 -2.27 0.00 0.00 179.45 176.77 1vfi n LYS 46 N -4.30 0.64 0.24 1.90 4.76 0.37 -1.99 118.16 119.77 1vfi n LYS 46 Ca 0.21 0.13 -0.18 0.00 -2.87 0.00 0.00 58.31 55.61 1vfi n LYS 46 Cb 1.02 -1.73 -0.10 0.00 -1.84 0.00 0.00 35.03 32.38 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 1.44 -1.07 0.00 7.82 0.00 0.63 -3.43 119.26 124.64 1vfi h ALA 47 Ca -0.20 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 1vfi h ALA 47 Cb 1.61 0.76 -0.09 0.00 0.00 0.00 0.00 17.79 20.07 1vfi h ALA 47 CO 0.04 -1.15 0.22 -3.47 0.00 0.00 0.00 179.25 174.88 1vfi n ASP 48 N -5.54 -1.04 -0.53 0.00 2.03 -0.70 -4.99 116.55 105.79 1vfi n ASP 48 Ca -0.11 -1.55 0.00 0.00 0.52 0.00 0.00 54.79 53.65 1vfi n ASP 48 Cb 0.44 1.01 0.00 0.00 -0.72 0.00 0.00 41.12 41.86 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 0.03 0.01 0.00 0.00 5.08 -1.68 0.85 114.58 118.86 1vfi h GLU 50 Ca -0.01 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 1vfi h GLU 50 Cb 1.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 1vfi h GLU 50 CO 0.00 0.51 -0.48 -1.00 -1.00 0.00 0.00 179.01 177.04 1vfi h PRO 51 N -0.49 0.00 -0.01 2.33 0.13 -1.89 -2.06 132.00 130.01 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 0.50 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.64 1vfi h PRO 51 CO 0.00 0.48 -0.05 1.96 -0.23 0.00 0.00 178.00 180.16 1vfi h GLN 52 N 0.00 0.05 -0.62 0.86 4.20 -1.88 -2.53 115.11 115.19 1vfi h GLN 52 Ca -0.00 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1vfi h GLN 52 Cb 1.12 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.88 1vfi h GLN 52 CO 0.06 0.73 0.34 0.22 -0.67 0.00 0.00 178.83 179.51 1vfi h ASP 53 N -0.62 0.78 -0.10 1.46 1.82 -0.86 -2.58 116.42 116.32 1vfi h ASP 53 Ca -0.00 -0.10 0.04 0.00 -0.39 0.00 0.00 57.03 56.58 1vfi h ASP 53 Cb 0.74 -0.20 -0.05 0.00 0.68 0.00 0.00 39.33 40.50 1vfi h ASP 53 CO 0.01 0.65 -0.23 0.11 -1.61 0.00 0.00 179.24 178.18 1vfi h LYS 54 N 0.85 -0.29 -0.92 0.28 1.57 -1.42 0.31 116.57 116.94 1vfi h LYS 54 Ca 0.22 0.02 0.26 0.00 -1.87 0.00 0.00 60.65 59.28 1vfi h LYS 54 Cb 0.05 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 1vfi h LYS 54 CO -0.03 -0.20 0.66 0.28 -0.57 0.00 0.00 179.45 179.59 1vfi h VAL 55 N -0.30 0.55 -0.13 0.50 2.07 -1.11 1.45 116.25 119.27 1vfi h VAL 55 Ca 0.09 -0.01 -0.16 0.00 0.82 0.00 0.00 66.70 67.44 1vfi h VAL 55 Cb 0.44 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1vfi h VAL 55 CO -0.27 0.01 -0.61 0.00 0.02 0.00 0.00 177.57 176.72 1vfi h ASP 57 N 0.33 -0.39 -0.22 0.00 3.58 0.34 0.28 116.42 120.34 1vfi h ASP 57 Ca -0.01 -0.04 0.06 0.00 0.42 0.00 0.00 57.03 57.47 1vfi h ASP 57 Cb 1.15 0.10 -0.01 0.00 1.72 0.00 0.00 39.33 42.29 1vfi h ASP 57 CO 0.11 -0.21 0.19 0.00 -2.88 0.00 0.00 179.24 176.44 1vfi h ALA 58 N 0.10 2.01 0.28 -0.78 0.00 -1.26 0.63 119.26 120.24 1vfi h ALA 58 Ca -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1vfi h ALA 58 Cb 0.40 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1vfi h ALA 58 CO 0.08 -0.30 -0.13 0.00 0.00 0.00 0.00 179.25 178.89 1vfi h ARG 60 N -1.00 0.00 0.00 0.00 3.08 0.44 0.40 114.38 117.30 1vfi h ARG 60 Ca -0.04 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1vfi h ARG 60 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1vfi h ARG 60 CO 0.06 0.00 -0.01 1.98 -1.07 0.00 0.00 179.97 180.94 1vfi h MET 61 N 0.00 0.00 0.33 0.04 4.05 0.28 -2.98 114.93 116.66 1vfi h MET 61 Ca -0.00 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1vfi h MET 61 Cb 0.01 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.81 1vfi h MET 61 CO 0.00 0.92 -0.16 0.87 0.23 0.00 0.00 176.91 178.77 1vfi h LYS 62 N -0.92 -0.43 -0.77 0.39 6.56 -0.19 -2.67 116.57 118.54 1vfi h LYS 62 Ca -0.00 0.03 0.08 0.00 -1.06 0.00 0.00 60.65 59.70 1vfi h LYS 62 Cb 0.93 0.10 -0.11 0.00 -0.57 0.00 0.00 32.23 32.58 1vfi h LYS 62 CO 0.00 -0.14 -0.57 0.00 -2.06 0.00 0.00 179.45 176.69 1vfi h HIS 64 N -0.15 -0.16 -0.97 0.00 6.17 -1.49 1.62 115.15 120.17 1vfi h HIS 64 Ca 0.13 0.01 0.22 0.00 0.71 0.00 0.00 60.37 61.44 1vfi h HIS 64 Cb 0.49 0.08 -0.12 0.00 2.52 0.00 0.00 27.41 30.38 1vfi h HIS 64 CO -0.91 -0.04 0.54 0.87 0.71 0.00 0.00 177.93 179.10 1vfi h LYS 65 N -0.02 0.56 -0.53 5.26 1.57 -0.87 0.94 116.57 123.49 1vfi h LYS 65 Ca 0.01 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1vfi h LYS 65 Cb 0.04 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 1vfi h LYS 65 CO -0.07 0.37 0.33 0.00 -0.57 0.00 0.00 179.45 179.51 1vfi h ALA 66 N 1.69 0.68 -0.26 3.86 0.00 0.64 0.38 119.26 126.26 1vfi h ALA 66 Ca 0.60 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.42 1vfi h ALA 66 Cb 1.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1vfi h ALA 66 CO -0.46 0.06 -0.08 0.00 0.00 0.00 0.00 179.25 178.77 1vfi h ARG 68 N 0.26 -0.88 -0.87 0.00 2.43 0.12 1.34 114.38 116.78 1vfi h ARG 68 Ca 0.06 0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1vfi h ARG 68 Cb 0.57 0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 30.28 1vfi h ARG 68 CO 0.03 -0.58 0.50 0.00 -1.51 0.00 0.00 179.97 178.40 1vfi h ALA 69 N -0.83 1.24 -3.00 2.80 0.00 -0.28 0.14 119.26 119.32 1vfi h ALA 69 Ca -0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1vfi h ALA 69 Cb 0.82 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1vfi h ALA 69 CO -0.13 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.76 1vfi n ALA 70 N -2.41 0.00 -0.02 0.00 0.00 0.15 -3.20 120.51 115.03 1vfi n ALA 70 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.52 1vfi n ALA 70 Cb 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.16 -0.78 0.00 2.35 0.16 -2.71 115.58 114.44 1vfi h ASN 71 Ca 0.00 0.02 -0.65 0.00 -0.55 0.00 0.00 56.30 55.12 1vfi h ASN 71 Cb 0.00 0.07 -0.07 0.00 0.05 0.00 0.00 38.32 38.37 1vfi h ASN 71 CO 0.00 -0.03 2.15 0.00 -1.65 0.00 0.00 177.43 177.90 1vfi n ALA 73 N 8.83 0.96 -1.07 0.00 0.00 -1.02 -3.94 120.51 124.27 1vfi n ALA 73 Ca 0.49 -0.79 -0.25 0.00 0.00 0.00 0.00 53.44 52.89 1vfi n ALA 73 Cb 0.46 -0.17 0.12 0.00 0.00 0.00 0.00 19.45 19.87 1vfi n ALA 73 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1vfi n SER 74 N -4.36 5.13 0.00 0.00 7.64 -1.26 -4.08 113.62 116.68 1vfi n SER 74 Ca -0.40 -3.50 0.00 0.00 1.01 0.00 0.00 58.87 55.98 1vfi n SER 74 Cb 0.74 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1vfi n SER 74 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1vfi n GLU 75 N -0.83 0.07 -3.39 1.43 -0.58 -1.26 -4.97 120.64 111.10 1vfi n GLU 75 Ca 0.54 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.85 1vfi n GLU 75 Cb 1.19 -0.91 -0.09 0.00 -0.57 0.00 0.00 31.44 31.06 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 5.35 0.54 -4.14 0.00 -0.04 -1.26 -4.93 135.00 130.52 1vfi n PRO 77 Ca -0.10 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.14 1vfi n PRO 77 Cb 0.47 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.88 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 -0.91 2.83 -1.03 0.54 2.20 -1.26 -4.67 119.74 117.44 1vfi s LYS 78 Ca 0.00 -1.11 -0.16 0.00 -0.36 0.00 0.00 55.97 54.35 1vfi s LYS 78 Cb 0.00 -2.50 0.00 0.00 -1.51 0.00 0.00 37.83 33.82 1vfi s LYS 78 CO 0.00 0.40 0.72 0.72 -0.36 0.00 0.00 175.35 176.83 1vfi n HIS 79 N -1.11 -2.00 -3.67 4.03 8.25 -1.26 -4.98 115.22 114.49 1vfi n HIS 79 Ca -0.08 0.56 -0.13 0.00 -0.26 0.00 0.00 57.72 57.82 1vfi n HIS 79 Cb 0.58 -3.27 -0.06 0.00 1.12 0.00 0.00 29.99 28.36 1vfi n HIS 79 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1vfi s GLU 80 N -5.59 0.91 -1.11 -0.41 2.02 -1.26 -5.09 118.70 108.18 1vfi s GLU 80 Ca 0.31 -0.34 -0.08 0.00 0.02 0.00 0.00 54.97 54.88 1vfi s GLU 80 Cb -0.13 0.41 0.28 0.00 0.10 0.00 0.00 34.13 34.79 1vfi s GLU 80 CO 0.87 -0.31 1.16 0.72 0.02 0.00 0.00 175.26 177.72 1vfi n HIS 81 N 0.54 4.81 -3.12 1.61 8.25 -1.26 -4.81 115.22 121.25 1vfi n HIS 81 Ca -0.19 -3.73 -0.04 0.00 -0.26 0.00 0.00 57.72 53.50 1vfi n HIS 81 Cb 0.60 -1.62 0.00 0.00 1.12 0.00 0.00 29.99 30.09 1vfi n HIS 81 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1vfi n LYS 82 N 2.45 -1.16 -0.85 -0.41 5.02 -1.26 -4.89 118.16 117.07 1vfi n LYS 82 Ca 0.24 1.29 -0.30 0.00 -2.02 0.00 0.00 58.31 57.52 1vfi n LYS 82 Cb 0.38 -2.12 0.18 0.00 -0.02 0.00 0.00 35.03 33.44 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 -1.23 2.59 0.06 4.39 1.04 -1.26 -4.74 113.70 114.54 1vfi s SER 83 Ca 0.05 1.74 -0.23 0.00 0.48 0.00 0.00 55.95 57.99 1vfi s SER 83 Cb -0.01 -2.36 -0.14 0.00 0.10 0.00 0.00 66.02 63.62 1vfi s SER 83 CO 0.27 -3.24 1.55 -2.24 0.98 0.00 0.00 173.24 170.57 1vfi h ASP 84 N -1.96 0.12 -1.00 7.02 2.03 -1.94 -0.44 116.42 120.25 1vfi h ASP 84 Ca -0.51 -0.22 0.14 0.00 -0.73 0.00 0.00 57.03 55.72 1vfi h ASP 84 Cb 1.29 -0.03 -0.09 0.00 -0.83 0.00 0.00 39.33 39.67 1vfi h ASP 84 CO 0.49 0.31 0.62 0.00 -1.03 0.00 0.00 179.24 179.63 1vfi h THR 85 N -0.07 0.85 0.30 1.15 1.03 -1.92 1.29 112.91 115.54 1vfi h THR 85 Ca 0.03 -0.31 -0.01 0.00 -0.01 0.00 0.00 66.41 66.10 1vfi h THR 85 Cb 0.23 -0.14 0.00 0.00 -1.07 0.00 0.00 68.15 67.17 1vfi h THR 85 CO -0.00 0.17 -0.15 0.00 -0.01 0.00 0.00 175.52 175.53 1vfi h ARG 87 N -0.53 0.00 0.07 0.00 3.08 -0.71 0.37 114.38 116.66 1vfi h ARG 87 Ca -0.04 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.82 1vfi h ARG 87 Cb 0.31 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.38 1vfi h ARG 87 CO 0.07 0.00 -0.77 0.00 -1.07 0.00 0.00 179.97 178.20 1vfi h ALA 88 N 1.50 0.00 0.89 0.04 0.00 0.18 -3.03 119.26 118.84 1vfi h ALA 88 Ca 0.31 -0.64 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1vfi h ALA 88 Cb 1.41 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1vfi h ALA 88 CO -0.00 0.41 -0.47 0.00 0.00 0.00 0.00 179.25 179.19 1vfi h MET 90 N -1.24 0.00 -0.11 0.00 2.07 -0.94 0.98 114.93 115.69 1vfi h MET 90 Ca -0.12 0.00 0.03 0.00 -2.07 0.00 0.00 59.70 57.53 1vfi h MET 90 Cb 0.97 0.00 -0.06 0.00 -1.87 0.00 0.00 31.60 30.64 1vfi h MET 90 CO 0.17 0.00 -0.48 -0.22 1.07 0.00 0.00 176.91 177.46 1vfi h LYS 91 N 0.00 -0.50 0.00 1.72 3.64 -1.12 0.50 116.57 120.80 1vfi h LYS 91 Ca 0.37 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 1vfi h LYS 91 Cb 2.04 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.98 1vfi h LYS 91 CO -0.00 -0.33 -1.40 2.41 -2.27 0.00 0.00 179.45 177.85 1vfi n THR 92 N -5.07 0.07 -1.29 1.00 -1.04 -0.24 -4.10 114.28 103.62 1vfi n THR 92 Ca -0.05 -0.29 -0.23 0.00 -2.04 0.00 0.00 64.05 61.44 1vfi n THR 92 Cb 0.33 0.33 0.17 0.00 -1.82 0.00 0.00 70.33 69.34 1vfi n THR 92 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1vfi n ASN 93 N -1.97 4.08 0.00 8.00 3.02 0.32 -4.61 115.26 124.10 1vfi n ASN 93 Ca 0.00 -3.66 0.00 0.00 -0.03 0.00 0.00 54.58 50.89 1vfi n ASN 93 Cb 0.46 -0.82 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 1vfi n ASN 93 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64