#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dvh s ALA 6 N 0.00 3.33 -0.33 0.58 0.00 -1.26 -3.65 121.76 120.43 3dvh s ALA 6 Ca 0.00 0.45 -0.00 0.00 0.00 0.00 0.00 51.96 52.40 3dvh s ALA 6 Cb 0.00 -3.41 0.08 0.00 0.00 0.00 0.00 23.12 19.79 3dvh s ALA 6 CO 0.00 -0.49 0.04 0.08 0.00 0.00 0.00 175.76 175.39 3dvh s VAL 7 N 1.69 2.79 -0.18 0.00 1.01 0.03 -4.97 120.40 120.77 3dvh s VAL 7 Ca 0.50 -1.77 -0.26 0.00 0.00 0.00 0.00 61.98 60.45 3dvh s VAL 7 Cb -0.20 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.40 3dvh s VAL 7 CO 0.21 -0.33 0.86 -0.63 0.00 0.00 0.00 175.10 175.22 3dvh s ILE 8 N 1.13 4.85 -0.20 2.22 1.01 -1.26 -0.53 121.20 128.42 3dvh s ILE 8 Ca 0.00 1.69 -0.15 0.00 0.00 0.00 0.00 60.65 62.19 3dvh s ILE 8 Cb -0.20 -4.16 -0.19 0.00 0.01 0.00 0.00 42.46 37.91 3dvh s ILE 8 CO -0.04 -0.01 0.12 0.29 0.00 0.00 0.00 174.94 175.31 3dvh n LYS 9 N 5.43 0.62 -3.80 2.79 4.76 0.10 -4.97 118.16 123.09 3dvh n LYS 9 Ca 0.06 0.43 -0.12 0.00 -2.87 0.00 0.00 58.31 55.80 3dvh n LYS 9 Cb 0.48 -1.68 -0.10 0.00 -1.84 0.00 0.00 35.03 31.89 3dvh n LYS 9 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3dvh s ASN 10 N -6.99 -0.18 -0.22 4.39 0.01 -0.73 -5.02 114.94 106.19 3dvh s ASN 10 Ca -0.30 0.23 -0.16 0.00 -0.71 0.00 0.00 52.86 51.92 3dvh s ASN 10 Cb 0.08 0.39 0.06 0.00 0.41 0.00 0.00 41.25 42.19 3dvh s ASN 10 CO 0.62 -0.25 0.56 0.00 -1.51 0.00 0.00 177.10 176.51 3dvh s ALA 11 N -0.63 -1.45 -0.52 0.60 0.00 -1.26 -0.63 121.76 117.87 3dvh s ALA 11 Ca -0.07 1.82 0.06 0.00 0.00 0.00 0.00 51.96 53.76 3dvh s ALA 11 Cb -0.04 -1.07 0.21 0.00 0.00 0.00 0.00 23.12 22.22 3dvh s ALA 11 CO 0.02 -0.30 0.52 -3.47 0.00 0.00 0.00 175.76 172.53 3dvh n ASP 12 N 3.59 1.49 -3.52 0.00 2.03 0.21 -5.00 116.55 115.35 3dvh n ASP 12 Ca -0.18 -2.91 -0.13 0.00 0.52 0.00 0.00 54.79 52.10 3dvh n ASP 12 Cb 0.57 -0.65 -0.04 0.00 -0.72 0.00 0.00 41.12 40.28 3dvh n ASP 12 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3dvh s MET 13 N -1.24 1.14 0.78 -0.67 0.23 -1.25 -1.33 119.30 116.95 3dvh s MET 13 Ca 0.34 -0.39 -0.15 0.00 -1.03 0.00 0.00 55.69 54.46 3dvh s MET 13 Cb 0.09 0.52 0.01 0.00 -1.53 0.00 0.00 34.83 33.91 3dvh s MET 13 CO -0.12 -0.45 0.74 -1.13 -2.03 0.00 0.00 175.02 172.02 3dvh n SER 14 N 0.01 -0.54 0.06 -1.18 3.41 -1.26 -4.74 113.62 109.37 3dvh n SER 14 Ca -0.17 0.56 -0.03 0.00 -0.26 0.00 0.00 58.87 58.97 3dvh n SER 14 Cb 0.63 -1.31 0.21 0.00 -0.26 0.00 0.00 64.21 63.47 3dvh n SER 14 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 3dvh h GLU 15 N -0.65 0.35 -0.11 4.33 -0.00 -2.00 -1.64 114.58 114.86 3dvh h GLU 15 Ca -0.46 -0.15 -0.00 0.00 -0.00 0.00 0.00 59.36 58.75 3dvh h GLU 15 Cb 1.32 -0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 30.06 3dvh h GLU 15 CO 0.43 0.66 0.06 1.49 -0.00 0.00 0.00 179.01 181.65 3dvh h GLU 16 N 0.30 0.16 -0.51 1.06 4.81 -2.00 -1.97 114.58 116.43 3dvh h GLU 16 Ca 0.03 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.12 3dvh h GLU 16 Cb 0.77 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 3dvh h GLU 16 CO 0.06 0.20 -0.18 1.98 -0.73 0.00 0.00 179.01 180.34 3dvh h MET 17 N 0.07 1.02 -0.67 1.92 4.05 -1.89 -1.07 114.93 118.37 3dvh h MET 17 Ca 0.04 -0.42 0.15 0.00 -0.28 0.00 0.00 59.70 59.19 3dvh h MET 17 Cb 0.09 -0.04 -0.12 0.00 -0.80 0.00 0.00 31.60 30.73 3dvh h MET 17 CO -0.01 1.10 -0.01 1.96 0.23 0.00 0.00 176.91 180.19 3dvh h GLN 18 N 0.89 0.10 -0.45 0.39 4.20 -1.25 0.37 115.11 119.36 3dvh h GLN 18 Ca 0.12 -0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.68 3dvh h GLN 18 Cb 0.76 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 3dvh h GLN 18 CO 0.06 0.07 -0.27 0.37 -0.67 0.00 0.00 178.83 178.39 3dvh h GLN 19 N 0.10 0.98 -0.62 1.46 5.75 -1.04 -1.26 115.11 120.48 3dvh h GLN 19 Ca 0.36 -0.45 0.06 0.00 -0.15 0.00 0.00 58.65 58.47 3dvh h GLN 19 Cb 0.60 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 29.08 3dvh h GLN 19 CO -0.59 1.12 0.33 -0.44 -2.65 0.00 0.00 178.83 176.60 3dvh h ASP 20 N 0.83 0.48 -0.76 -0.69 3.32 -0.93 0.20 116.42 118.87 3dvh h ASP 20 Ca 0.09 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 3dvh h ASP 20 Cb 0.86 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.32 3dvh h ASP 20 CO 0.08 0.31 0.26 0.00 -1.72 0.00 0.00 179.24 178.17 3dvh h ALA 21 N 1.33 1.02 -0.24 3.45 0.00 -0.55 -0.38 119.26 123.89 3dvh h ALA 21 Ca 0.28 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3dvh h ALA 21 Cb 0.18 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3dvh h ALA 21 CO -0.18 0.67 -0.22 0.28 0.00 0.00 0.00 179.25 179.79 3dvh h VAL 22 N 1.13 1.31 -0.53 0.00 2.07 -0.87 -1.78 116.25 117.58 3dvh h VAL 22 Ca 0.25 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.37 3dvh h VAL 22 Cb 0.27 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 3dvh h VAL 22 CO -0.01 0.43 0.24 0.44 0.02 0.00 0.00 177.57 178.69 3dvh h ASP 23 N 0.28 0.70 -0.41 0.57 3.32 -0.42 -0.34 116.42 120.12 3dvh h ASP 23 Ca 0.04 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 3dvh h ASP 23 Cb 0.77 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 3dvh h ASP 23 CO 0.06 0.65 0.11 0.00 -1.72 0.00 0.00 179.24 178.33 3dvh h ALA 25 N 0.96 1.34 0.24 0.00 0.00 -1.22 0.48 119.26 121.06 3dvh h ALA 25 Ca 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3dvh h ALA 25 Cb 0.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3dvh h ALA 25 CO -0.00 0.45 -0.11 1.15 0.00 0.00 0.00 179.25 180.73 3dvh h THR 26 N 0.35 0.81 -1.00 0.00 2.02 -0.64 -0.77 112.91 113.69 3dvh h THR 26 Ca 0.07 -0.32 0.07 0.00 0.77 0.00 0.00 66.41 67.00 3dvh h THR 26 Cb 0.46 1.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.80 3dvh h THR 26 CO 0.03 0.07 0.64 1.56 0.37 0.00 0.00 175.52 178.19 3dvh h GLN 27 N -0.48 1.11 -0.21 6.66 4.20 -1.25 0.51 115.11 125.65 3dvh h GLN 27 Ca -0.03 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 3dvh h GLN 27 Cb 0.36 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3dvh h GLN 27 CO 0.05 0.73 -0.03 0.00 -0.67 0.00 0.00 178.83 178.92 3dvh h ALA 28 N 1.47 0.29 -0.06 3.87 0.00 -0.73 -1.21 119.26 122.89 3dvh h ALA 28 Ca 0.44 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3dvh h ALA 28 Cb 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3dvh h ALA 28 CO -0.19 0.05 -0.13 -0.07 0.00 0.00 0.00 179.25 178.91 3dvh h LEU 29 N 0.13 0.09 -0.73 0.00 3.38 -0.93 0.18 115.31 117.42 3dvh h LEU 29 Ca 0.06 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 3dvh h LEU 29 Cb 0.47 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3dvh h LEU 29 CO 0.02 0.24 -0.32 -0.33 0.09 0.00 0.00 178.44 178.13 3dvh h GLU 30 N 0.09 0.61 0.16 1.13 5.08 -0.67 -3.34 114.58 117.64 3dvh h GLU 30 Ca 0.02 -0.27 -0.36 0.00 -1.00 0.00 0.00 59.36 57.75 3dvh h GLU 30 Cb 0.30 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 3dvh h GLU 30 CO 0.02 0.85 -1.86 -0.22 -1.00 0.00 0.00 179.01 176.80 3dvh h LYS 31 N 0.52 0.33 -6.31 2.33 3.64 -0.95 -3.49 116.57 112.64 3dvh h LYS 31 Ca 0.06 -0.56 -0.60 0.00 -1.27 0.00 0.00 60.65 58.28 3dvh h LYS 31 Cb 0.81 0.21 -0.23 0.00 -0.41 0.00 0.00 32.23 32.60 3dvh h LYS 31 CO 0.07 1.26 -0.84 0.71 -2.27 0.00 0.00 179.45 178.37 3dvh s TYR 32 N -2.57 1.92 -0.12 1.91 2.02 0.61 -5.04 117.35 116.08 3dvh s TYR 32 Ca -0.19 -0.40 0.13 0.00 -0.37 0.00 0.00 57.07 56.24 3dvh s TYR 32 Cb 0.06 -1.08 -0.18 0.00 -0.40 0.00 0.00 41.96 40.35 3dvh s TYR 32 CO 0.82 0.19 0.32 0.09 -1.57 0.00 0.00 175.55 175.40 3dvh n ASN 33 N 1.31 1.84 -4.67 2.29 3.02 -1.26 -4.48 115.26 113.31 3dvh n ASN 33 Ca -0.18 -0.14 -0.38 0.00 -0.03 0.00 0.00 54.58 53.84 3dvh n ASN 33 Cb 0.53 1.47 -0.07 0.00 -0.61 0.00 0.00 39.78 41.10 3dvh n ASN 33 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3dvh s ILE 34 N -2.74 5.19 0.16 2.41 1.01 -1.26 -5.00 121.20 120.96 3dvh s ILE 34 Ca -0.03 0.75 -0.17 0.00 0.00 0.00 0.00 60.65 61.21 3dvh s ILE 34 Cb 0.08 -3.75 0.04 0.00 0.01 0.00 0.00 42.46 38.85 3dvh s ILE 34 CO 0.52 0.24 1.71 -0.33 0.00 0.00 0.00 174.94 177.09 3dvh h GLU 35 N 7.35 0.13 0.00 2.79 5.08 -1.94 -0.35 114.58 127.64 3dvh h GLU 35 Ca -0.36 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 3dvh h GLU 35 Cb 1.16 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 3dvh h GLU 35 CO 0.72 0.08 -0.03 -1.00 -1.00 0.00 0.00 179.01 177.78 3dvh h PRO 36 N 0.13 0.00 -0.10 2.33 0.13 -1.95 -0.04 132.00 132.50 3dvh h PRO 36 Ca 0.17 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.28 3dvh h PRO 36 Cb 0.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.35 3dvh h PRO 36 CO -0.26 0.03 -0.01 -0.44 -0.23 0.00 0.00 178.00 177.09 3dvh h ASP 37 N 0.00 0.18 -0.32 1.44 3.32 -1.50 -0.28 116.42 119.25 3dvh h ASP 37 Ca -0.00 -0.35 0.07 0.00 0.02 0.00 0.00 57.03 56.77 3dvh h ASP 37 Cb 0.06 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.50 3dvh h ASP 37 CO 0.00 0.49 -0.09 0.40 -1.72 0.00 0.00 179.24 178.33 3dvh h ILE 38 N -0.12 0.67 -0.29 0.35 2.04 -1.15 -1.09 117.51 117.92 3dvh h ILE 38 Ca 0.03 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.91 3dvh h ILE 38 Cb 0.40 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3dvh h ILE 38 CO 0.01 0.00 0.11 0.00 0.00 0.00 0.00 178.15 178.27 3dvh h ALA 39 N 1.31 0.33 -0.12 1.87 0.00 -0.96 -2.30 119.26 119.40 3dvh h ALA 39 Ca 0.16 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3dvh h ALA 39 Cb 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3dvh h ALA 39 CO -0.34 -0.29 -0.05 0.00 0.00 0.00 0.00 179.25 178.57 3dvh h ALA 40 N 1.17 0.05 -0.29 0.00 0.00 -0.98 -1.25 119.26 117.97 3dvh h ALA 40 Ca 0.13 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.15 3dvh h ALA 40 Cb 0.08 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 3dvh h ALA 40 CO -0.12 -0.51 -0.12 -0.92 0.00 0.00 0.00 179.25 177.58 3dvh h TYR 41 N -0.04 -0.29 -0.09 0.00 3.20 -1.02 -0.49 116.97 118.24 3dvh h TYR 41 Ca 0.07 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 3dvh h TYR 41 Cb 0.14 0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.58 3dvh h TYR 41 CO -0.18 -0.19 0.05 0.82 -1.64 0.00 0.00 178.16 177.02 3dvh h ILE 42 N -0.07 1.07 0.07 1.81 2.04 -1.20 -2.01 117.51 119.22 3dvh h ILE 42 Ca 0.15 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3dvh h ILE 42 Cb 0.30 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3dvh h ILE 42 CO -0.34 0.06 -0.08 0.50 0.00 0.00 0.00 178.15 178.29 3dvh h LYS 43 N 0.06 -0.17 -0.57 2.37 3.11 -1.03 -0.81 116.57 119.53 3dvh h LYS 43 Ca 0.03 0.01 -0.10 0.00 -2.81 0.00 0.00 60.65 57.79 3dvh h LYS 43 Cb 0.06 0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.31 3dvh h LYS 43 CO -0.01 -0.11 -0.03 0.87 -2.81 0.00 0.00 179.45 177.37 3dvh h LYS 44 N -0.18 1.03 -0.72 1.90 1.57 -1.11 0.13 116.57 119.19 3dvh h LYS 44 Ca 0.01 -0.34 0.01 0.00 -1.87 0.00 0.00 60.65 58.46 3dvh h LYS 44 Cb 0.18 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 3dvh h LYS 44 CO -0.03 1.03 0.48 0.93 -0.57 0.00 0.00 179.45 181.28 3dvh h GLU 45 N 0.91 0.94 -0.52 3.15 4.39 -1.20 -1.54 114.58 120.71 3dvh h GLU 45 Ca 0.16 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.72 3dvh h GLU 45 Cb 0.58 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 3dvh h GLU 45 CO 0.03 0.62 0.00 0.74 -1.16 0.00 0.00 179.01 179.25 3dvh h PHE 46 N 0.97 1.01 -0.83 4.33 -1.00 -0.78 0.28 116.94 120.92 3dvh h PHE 46 Ca 0.27 -0.17 0.04 0.00 2.81 0.00 0.00 57.97 60.91 3dvh h PHE 46 Cb -0.11 -0.26 -0.05 0.00 3.61 0.00 0.00 35.95 39.14 3dvh h PHE 46 CO -0.02 0.93 0.53 -0.44 -1.61 0.00 0.00 178.31 177.69 3dvh h ASP 47 N 0.80 0.87 -0.14 2.17 3.32 -0.61 0.10 116.42 122.93 3dvh h ASP 47 Ca 0.15 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 3dvh h ASP 47 Cb 0.53 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 3dvh h ASP 47 CO 0.03 0.59 -0.17 0.11 -1.72 0.00 0.00 179.24 178.08 3dvh h LYS 48 N 1.02 0.36 0.12 3.56 1.57 -1.00 -1.79 116.57 120.40 3dvh h LYS 48 Ca 0.34 -0.20 -0.29 0.00 -1.87 0.00 0.00 60.65 58.63 3dvh h LYS 48 Cb 0.03 0.01 0.03 0.00 0.08 0.00 0.00 32.23 32.39 3dvh h LYS 48 CO -0.12 0.77 -1.21 0.87 -0.57 0.00 0.00 179.45 179.18 3dvh h LYS 49 N -0.03 0.61 -0.12 3.15 1.57 -0.89 -3.38 116.57 117.48 3dvh h LYS 49 Ca 0.02 -0.82 0.00 0.00 -1.87 0.00 0.00 60.65 57.98 3dvh h LYS 49 Cb 0.72 0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.30 3dvh h LYS 49 CO 0.04 1.37 0.00 0.66 -0.57 0.00 0.00 179.45 180.95 3dvh n TYR 50 N -3.82 0.16 -0.26 -1.35 4.02 0.35 -5.08 117.16 111.18 3dvh n TYR 50 Ca -0.14 -0.37 0.00 0.00 -0.01 0.00 0.00 57.90 57.38 3dvh n TYR 50 Cb 0.97 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 40.26 3dvh n TYR 50 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3dvh n ASN 51 N 0.06 -1.62 -4.63 7.72 5.03 -0.68 -4.96 115.26 116.18 3dvh n ASN 51 Ca 0.05 0.29 -0.30 0.00 0.87 0.00 0.00 54.58 55.48 3dvh n ASN 51 Cb 0.28 0.00 0.18 0.00 -1.02 0.00 0.00 39.78 39.23 3dvh n ASN 51 CO 0.00 0.00 0.00 -2.84 -1.83 0.00 0.00 177.26 172.59 3dvh s PRO 52 N -4.58 0.59 -0.18 3.52 0.02 -1.20 -4.39 135.00 128.79 3dvh s PRO 52 Ca 0.00 1.36 0.01 0.00 0.02 0.00 0.00 61.00 62.39 3dvh s PRO 52 Cb 0.00 -1.69 0.02 0.00 0.02 0.00 0.00 34.50 32.85 3dvh s PRO 52 CO 0.00 -2.86 -0.19 0.99 -0.33 0.00 0.00 177.00 174.61 3dvh s THR 53 N -2.62 1.99 0.31 0.99 2.01 -1.26 -5.07 115.64 111.99 3dvh s THR 53 Ca 0.67 -0.91 0.03 0.00 0.31 0.00 0.00 61.69 61.78 3dvh s THR 53 Cb -0.23 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.44 3dvh s THR 53 CO 0.59 0.51 0.48 0.26 -0.69 0.00 0.00 174.62 175.77 3dvh s TRP 54 N 1.32 3.45 -0.01 4.92 0.52 -1.26 -4.28 118.94 123.59 3dvh s TRP 54 Ca 0.05 0.17 0.01 0.00 0.02 0.00 0.00 56.10 56.35 3dvh s TRP 54 Cb -0.13 -1.79 0.00 0.00 -1.15 0.00 0.00 33.47 30.40 3dvh s TRP 54 CO -0.12 0.22 -0.03 -1.01 0.02 0.00 0.00 176.95 176.02 3dvh s HIS 55 N -2.19 0.34 -0.02 -1.98 3.76 0.20 -4.98 115.29 110.42 3dvh s HIS 55 Ca 0.38 -0.06 0.01 0.00 -0.15 0.00 0.00 55.06 55.25 3dvh s HIS 55 Cb -0.09 -0.24 0.01 0.00 1.11 0.00 0.00 32.58 33.36 3dvh s HIS 55 CO 0.33 -0.02 -0.05 0.00 -0.85 0.00 0.00 174.74 174.15 3dvh s ILE 57 N 0.42 1.56 -0.05 0.00 -1.09 0.18 -4.88 121.20 117.34 3dvh s ILE 57 Ca -0.05 -0.75 -0.00 0.00 -2.23 0.00 0.00 60.65 57.62 3dvh s ILE 57 Cb -0.09 -1.37 0.03 0.00 -1.58 0.00 0.00 42.46 39.45 3dvh s ILE 57 CO -0.00 0.45 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.46 3dvh s VAL 58 N 0.34 0.35 -0.04 2.92 1.01 -1.26 -0.81 120.40 122.90 3dvh s VAL 58 Ca -0.12 0.05 -0.31 0.00 0.00 0.00 0.00 61.98 61.60 3dvh s VAL 58 Cb -0.15 -0.45 0.12 0.00 0.00 0.00 0.00 36.38 35.90 3dvh s VAL 58 CO 0.05 0.22 1.26 -0.83 0.00 0.00 0.00 175.10 175.80 3dvh s GLY 59 N 1.41 -0.39 0.18 4.51 0.00 -0.99 -4.81 107.32 107.24 3dvh s GLY 59 Ca -0.04 0.83 0.23 0.00 0.00 0.00 0.00 44.72 45.75 3dvh s GLY 59 CO -0.03 0.19 1.23 3.21 0.00 0.00 0.00 173.10 177.70 3dvh h ARG 60 N 2.00 0.00 -2.22 2.90 3.08 -1.87 -1.00 114.38 117.27 3dvh h ARG 60 Ca -0.27 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.40 3dvh h ARG 60 Cb 1.20 0.00 -0.34 0.00 0.08 0.00 0.00 29.97 30.91 3dvh h ARG 60 CO 0.27 0.00 -0.69 1.21 -1.07 0.00 0.00 179.97 179.70 3dvh s ASN 61 N -4.82 1.90 0.12 7.04 3.84 -1.26 -4.84 114.94 116.91 3dvh s ASN 61 Ca 0.04 -1.18 -0.17 0.00 0.21 0.00 0.00 52.86 51.76 3dvh s ASN 61 Cb 0.11 0.33 0.04 0.00 -0.55 0.00 0.00 41.25 41.18 3dvh s ASN 61 CO 0.75 -0.35 0.41 0.72 -2.79 0.00 0.00 177.10 175.83 3dvh s PHE 62 N 1.96 -0.23 0.22 0.43 -0.12 -1.26 -5.16 117.98 113.82 3dvh s PHE 62 Ca 0.12 -0.06 0.08 0.00 -0.05 0.00 0.00 56.93 57.03 3dvh s PHE 62 Cb -0.15 0.27 -0.05 0.00 -0.63 0.00 0.00 43.02 42.46 3dvh s PHE 62 CO -0.22 -0.69 -0.14 0.20 -0.05 0.00 0.00 175.22 174.31 3dvh s GLY 63 N -2.72 1.53 0.05 1.99 0.00 -1.26 -5.13 107.32 101.79 3dvh s GLY 63 Ca 0.02 -1.72 -0.12 0.00 0.00 0.00 0.00 44.72 42.90 3dvh s GLY 63 CO -0.11 -1.79 0.27 -1.35 0.00 0.00 0.00 173.10 170.12 3dvh s SER 64 N -3.35 -0.07 -0.26 1.64 1.04 -1.26 -5.12 113.70 106.32 3dvh s SER 64 Ca 0.24 -0.29 -0.02 0.00 0.48 0.00 0.00 55.95 56.37 3dvh s SER 64 Cb -0.01 0.35 0.13 0.00 0.10 0.00 0.00 66.02 66.59 3dvh s SER 64 CO 0.08 -0.63 0.32 -0.47 0.98 0.00 0.00 173.24 173.52 3dvh s TYR 65 N -2.78 -0.61 0.12 5.02 5.04 -1.26 -5.15 117.35 117.73 3dvh s TYR 65 Ca -0.03 0.30 0.05 0.00 -2.44 0.00 0.00 57.07 54.94 3dvh s TYR 65 Cb -0.00 -0.25 -0.04 0.00 0.35 0.00 0.00 41.96 42.02 3dvh s TYR 65 CO -0.05 -0.79 -0.12 0.14 -1.34 0.00 0.00 175.55 173.39 3dvh s VAL 66 N 2.43 1.17 -0.36 3.14 -7.23 -1.26 -5.11 120.40 113.18 3dvh s VAL 66 Ca 0.10 -1.72 -0.13 0.00 -1.81 0.00 0.00 61.98 58.41 3dvh s VAL 66 Cb -0.15 -1.50 -0.01 0.00 0.56 0.00 0.00 36.38 35.29 3dvh s VAL 66 CO -0.22 -0.51 0.25 -0.89 -0.31 0.00 0.00 175.10 173.42 3dvh s THR 67 N -2.38 5.28 -0.06 5.32 2.01 -1.26 -5.06 115.64 119.49 3dvh s THR 67 Ca 0.08 -0.32 -0.03 0.00 0.31 0.00 0.00 61.69 61.74 3dvh s THR 67 Cb -0.03 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 3dvh s THR 67 CO 0.02 -0.08 0.08 -1.38 -0.69 0.00 0.00 174.62 172.57 3dvh s HIS 68 N 1.71 3.35 0.21 4.92 -3.43 -1.26 -0.80 115.29 119.99 3dvh s HIS 68 Ca 0.06 0.30 -0.30 0.00 -0.80 0.00 0.00 55.06 54.31 3dvh s HIS 68 Cb -0.18 -1.81 -0.09 0.00 -1.43 0.00 0.00 32.58 29.07 3dvh s HIS 68 CO 0.10 0.58 1.36 -2.00 -2.00 0.00 0.00 174.74 172.79 3dvh s GLU 69 N -1.30 4.34 0.15 -0.38 2.12 0.33 -4.23 118.70 119.73 3dvh s GLU 69 Ca 0.18 2.14 -0.32 0.00 0.36 0.00 0.00 54.97 57.33 3dvh s GLU 69 Cb -0.12 -3.17 -0.17 0.00 0.26 0.00 0.00 34.13 30.93 3dvh s GLU 69 CO 0.08 -0.32 0.80 -2.37 -0.54 0.00 0.00 175.26 172.90 3dvh n THR 70 N 2.63 1.29 -0.89 -1.70 5.66 -1.26 -0.98 114.28 119.02 3dvh n THR 70 Ca 0.07 -0.32 0.00 0.00 -3.05 0.00 0.00 64.05 60.74 3dvh n THR 70 Cb 0.42 -0.19 0.00 0.00 -1.55 0.00 0.00 70.33 69.01 3dvh n THR 70 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3dvh n ARG 71 N 1.23 -0.60 -2.98 1.09 5.12 -1.18 -4.89 116.66 114.44 3dvh n ARG 71 Ca 0.18 0.15 -0.21 0.00 -1.93 0.00 0.00 57.85 56.04 3dvh n ARG 71 Cb 0.21 -3.82 -0.02 0.00 -1.16 0.00 0.00 32.46 27.66 3dvh n ARG 71 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3dvh n HIS 72 N -2.28 1.93 -3.67 -1.55 8.25 -0.15 -4.14 115.22 113.60 3dvh n HIS 72 Ca 0.00 -3.71 -0.08 0.00 -0.26 0.00 0.00 57.72 53.67 3dvh n HIS 72 Cb 0.15 -0.41 -0.09 0.00 1.12 0.00 0.00 29.99 30.76 3dvh n HIS 72 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3dvh s PHE 73 N -2.97 -0.81 -0.03 4.41 2.19 -0.93 -1.72 117.98 118.11 3dvh s PHE 73 Ca 0.42 1.62 -0.05 0.00 0.33 0.00 0.00 56.93 59.25 3dvh s PHE 73 Cb 0.34 0.40 0.01 0.00 -1.31 0.00 0.00 43.02 42.46 3dvh s PHE 73 CO -0.10 -0.44 0.12 -1.50 1.83 0.00 0.00 175.22 175.13 3dvh s ILE 74 N 1.88 0.02 -0.07 3.12 2.07 -0.36 0.66 121.20 128.52 3dvh s ILE 74 Ca -0.07 -0.19 -0.02 0.00 -1.41 0.00 0.00 60.65 58.95 3dvh s ILE 74 Cb -0.09 -0.25 0.03 0.00 0.13 0.00 0.00 42.46 42.29 3dvh s ILE 74 CO -0.15 -0.11 0.03 -0.47 -1.91 0.00 0.00 174.94 172.34 3dvh s TYR 75 N -0.32 0.38 0.07 3.50 5.04 0.19 -1.38 117.35 124.84 3dvh s TYR 75 Ca -0.04 -0.00 -0.12 0.00 -2.44 0.00 0.00 57.07 54.47 3dvh s TYR 75 Cb -0.03 -0.66 0.01 0.00 0.35 0.00 0.00 41.96 41.64 3dvh s TYR 75 CO 0.00 -0.28 0.27 -0.59 -1.34 0.00 0.00 175.55 173.61 3dvh s PHE 76 N 2.07 -0.02 0.05 4.97 -0.71 -0.70 -0.72 117.98 122.92 3dvh s PHE 76 Ca 0.05 -0.24 0.04 0.00 -1.04 0.00 0.00 56.93 55.73 3dvh s PHE 76 Cb -0.12 0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.70 3dvh s PHE 76 CO -0.04 -0.53 -0.02 0.71 -1.34 0.00 0.00 175.22 173.99 3dvh s TYR 77 N -3.13 2.97 -0.36 3.49 1.51 0.31 -0.00 117.35 122.14 3dvh s TYR 77 Ca -0.01 -0.01 0.03 0.00 -1.01 0.00 0.00 57.07 56.07 3dvh s TYR 77 Cb 0.01 -1.58 0.10 0.00 -0.11 0.00 0.00 41.96 40.39 3dvh s TYR 77 CO -0.07 0.45 0.09 -0.51 -1.11 0.00 0.00 175.55 174.40 3dvh s LEU 78 N -1.93 4.37 0.00 -1.29 1.43 -0.44 -0.79 118.68 120.03 3dvh s LEU 78 Ca 0.22 -2.22 0.00 0.00 -1.03 0.00 0.00 54.13 51.10 3dvh s LEU 78 Cb -0.11 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.58 3dvh s LEU 78 CO 0.14 -0.36 0.00 0.61 0.23 0.00 0.00 176.35 176.97 3dvh n GLY 79 N 4.15 1.79 0.17 -3.19 0.00 -1.24 -2.64 105.19 104.24 3dvh n GLY 79 Ca 0.04 -0.49 0.13 0.00 0.00 0.00 0.00 46.02 45.70 3dvh n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dvh n GLN 80 N 12.95 0.60 -2.89 1.61 3.00 -1.26 -4.86 117.38 126.53 3dvh n GLN 80 Ca 0.00 -0.34 -0.42 0.00 -0.01 0.00 0.00 57.00 56.23 3dvh n GLN 80 Cb 0.00 -1.49 -0.04 0.00 0.00 0.00 0.00 30.24 28.70 3dvh n GLN 80 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 3dvh s VAL 81 N -2.64 4.84 0.01 5.09 1.01 -1.08 -4.59 120.40 123.05 3dvh s VAL 81 Ca 0.21 1.57 -0.13 0.00 0.00 0.00 0.00 61.98 63.63 3dvh s VAL 81 Cb 0.19 -4.12 -0.06 0.00 0.00 0.00 0.00 36.38 32.40 3dvh s VAL 81 CO 0.56 -0.06 0.39 0.00 0.00 0.00 0.00 175.10 175.99 3dvh s ALA 82 N 2.79 3.72 -0.11 5.51 0.00 -0.38 -1.33 121.76 131.96 3dvh s ALA 82 Ca 0.35 -0.29 0.02 0.00 0.00 0.00 0.00 51.96 52.04 3dvh s ALA 82 Cb -0.15 -2.33 0.02 0.00 0.00 0.00 0.00 23.12 20.66 3dvh s ALA 82 CO 0.08 0.51 -0.15 0.42 0.00 0.00 0.00 175.76 176.62 3dvh s ILE 83 N -1.15 1.46 -0.17 0.00 -1.09 1.00 -2.33 121.20 118.91 3dvh s ILE 83 Ca 0.25 -0.61 0.00 0.00 -2.23 0.00 0.00 60.65 58.06 3dvh s ILE 83 Cb -0.16 -1.34 0.01 0.00 -1.58 0.00 0.00 42.46 39.39 3dvh s ILE 83 CO 0.14 0.43 -0.17 -0.22 -1.23 0.00 0.00 174.94 173.90 3dvh s LEU 84 N 1.05 2.36 -0.05 2.97 2.96 0.01 -1.71 118.68 126.25 3dvh s LEU 84 Ca -0.06 -0.54 -0.02 0.00 -0.22 0.00 0.00 54.13 53.30 3dvh s LEU 84 Cb -0.15 -1.54 0.04 0.00 0.50 0.00 0.00 46.19 45.04 3dvh s LEU 84 CO -0.02 0.05 0.10 -0.22 -1.32 0.00 0.00 176.35 174.93 3dvh s LEU 85 N 1.02 0.33 0.19 -0.68 2.96 -0.48 -0.65 118.68 121.37 3dvh s LEU 85 Ca -0.02 0.18 -0.22 0.00 -0.22 0.00 0.00 54.13 53.85 3dvh s LEU 85 Cb -0.15 0.07 0.05 0.00 0.50 0.00 0.00 46.19 46.67 3dvh s LEU 85 CO -0.04 -0.21 0.63 0.72 -1.32 0.00 0.00 176.35 176.13 3dvh s PHE 86 N 1.86 -0.43 0.04 5.38 -0.71 -0.86 -1.23 117.98 122.03 3dvh s PHE 86 Ca -0.00 0.14 0.02 0.00 -1.04 0.00 0.00 56.93 56.05 3dvh s PHE 86 Cb -0.12 0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 42.25 3dvh s PHE 86 CO -0.04 -0.96 0.05 0.15 -1.34 0.00 0.00 175.22 173.08 3dvh s LYS 87 N -3.80 2.88 0.34 1.99 1.02 -0.70 -0.63 119.74 120.84 3dvh s LYS 87 Ca 0.04 -0.63 -0.27 0.00 0.02 0.00 0.00 55.97 55.13 3dvh s LYS 87 Cb -0.02 -2.73 -0.09 0.00 -0.52 0.00 0.00 37.83 34.46 3dvh s LYS 87 CO -0.07 0.60 1.17 0.45 -0.92 0.00 0.00 175.35 176.58 3dvh s SER 88 N -2.01 6.87 0.00 2.83 0.15 -1.26 -0.51 113.70 119.77 3dvh s SER 88 Ca 0.25 2.38 0.26 0.00 0.70 0.00 0.00 55.95 59.53 3dvh s SER 88 Cb -0.12 -2.62 0.59 0.00 -1.71 0.00 0.00 66.02 62.16 3dvh s SER 88 CO 0.17 -0.43 1.49 0.61 1.20 0.00 0.00 173.24 176.27