#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 3.60 -0.24 3.14 0.00 -1.26 -2.64 121.76 124.36 3dvh s ALA 6 Ca 0.00 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.23 3dvh s ALA 6 Cb 0.00 -1.71 0.04 0.00 0.00 0.00 0.00 23.12 21.45 3dvh s ALA 6 CO 0.00 0.62 -0.11 0.08 0.00 0.00 0.00 175.76 176.35 3dvh s VAL 7 N -1.00 2.40 -0.27 0.00 1.01 -0.57 -4.97 120.40 116.99 3dvh s VAL 7 Ca 0.16 -1.30 -0.29 0.00 0.00 0.00 0.00 61.98 60.55 3dvh s VAL 7 Cb -0.12 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 3dvh s VAL 7 CO 0.05 0.15 1.37 -0.63 0.00 0.00 0.00 175.10 176.04 3dvh s ILE 8 N 1.21 4.05 -0.07 2.22 -1.09 -1.26 -0.21 121.20 126.05 3dvh s ILE 8 Ca -0.03 1.19 -0.07 0.00 -2.23 0.00 0.00 60.65 59.50 3dvh s ILE 8 Cb -0.18 -4.04 -0.28 0.00 -1.58 0.00 0.00 42.46 36.38 3dvh s ILE 8 CO -0.06 -0.41 0.56 0.11 -1.23 0.00 0.00 174.94 173.91 3dvh h LYS 9 N 9.54 0.31 -2.11 2.79 1.79 -1.15 -3.47 116.57 124.26 3dvh h LYS 9 Ca -0.28 -0.53 0.04 0.00 -2.18 0.00 0.00 60.65 57.70 3dvh h LYS 9 Cb 1.11 0.20 -0.22 0.00 -1.58 0.00 0.00 32.23 31.74 3dvh h LYS 9 CO 1.02 1.22 -0.17 1.21 -1.08 0.00 0.00 179.45 181.65 3dvh s ASN 10 N -7.11 -0.95 -0.01 0.86 2.47 -0.74 -5.01 114.94 104.45 3dvh s ASN 10 Ca -0.17 1.45 0.08 0.00 0.42 0.00 0.00 52.86 54.63 3dvh s ASN 10 Cb 0.06 2.05 -0.02 0.00 -1.45 0.00 0.00 41.25 41.89 3dvh s ASN 10 CO 0.82 -0.22 -0.24 0.00 -3.72 0.00 0.00 177.10 173.74 3dvh s ALA 11 N 2.75 2.00 -0.52 1.71 0.00 -1.26 -0.26 121.76 126.19 3dvh s ALA 11 Ca -0.05 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 50.88 3dvh s ALA 11 Cb -0.12 -0.49 0.16 0.00 0.00 0.00 0.00 23.12 22.67 3dvh s ALA 11 CO -0.18 0.49 0.35 0.34 0.00 0.00 0.00 175.76 176.76 3dvh s ASP 12 N -0.69 3.40 -0.21 0.00 2.15 0.23 -4.99 116.67 116.55 3dvh s ASP 12 Ca 0.09 -3.15 -0.29 0.00 0.43 0.00 0.00 52.55 49.63 3dvh s ASP 12 Cb -0.09 -1.06 0.14 0.00 -0.30 0.00 0.00 42.92 41.61 3dvh s ASP 12 CO -0.00 -0.18 1.10 -0.32 -0.17 0.00 0.00 175.17 175.60 3dvh s MET 13 N -0.32 0.44 0.55 4.34 1.75 -1.25 -1.32 119.30 123.49 3dvh s MET 13 Ca 0.24 0.20 -0.21 0.00 -1.25 0.00 0.00 55.69 54.67 3dvh s MET 13 Cb -0.10 0.21 -0.04 0.00 2.84 0.00 0.00 34.83 37.74 3dvh s MET 13 CO -0.11 -0.12 1.33 -1.54 -0.65 0.00 0.00 175.02 173.93 3dvh s SER 14 N -0.76 5.25 0.27 1.11 1.04 -1.26 -4.80 113.70 114.55 3dvh s SER 14 Ca 0.02 2.69 -0.01 0.00 0.48 0.00 0.00 55.95 59.13 3dvh s SER 14 Cb -0.02 -2.63 0.50 0.00 0.10 0.00 0.00 66.02 63.97 3dvh s SER 14 CO -0.03 -1.57 1.82 -0.33 0.98 0.00 0.00 173.24 174.11 3dvh h GLU 15 N 1.36 0.86 -0.02 4.02 5.08 -2.01 0.95 114.58 124.82 3dvh h GLU 15 Ca -0.51 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 57.72 3dvh h GLU 15 Cb 1.30 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 3dvh h GLU 15 CO 0.57 0.57 -0.37 1.05 -1.00 0.00 0.00 179.01 179.83 3dvh h GLU 16 N 0.88 0.04 0.14 2.33 4.11 -2.00 -1.43 114.58 118.67 3dvh h GLU 16 Ca 0.46 -0.02 -0.30 0.00 0.07 0.00 0.00 59.36 59.57 3dvh h GLU 16 Cb 0.47 -0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.75 3dvh h GLU 16 CO -0.27 0.41 -1.28 1.98 0.07 0.00 0.00 179.01 179.92 3dvh h MET 17 N 0.04 0.58 -0.64 1.06 4.05 -1.76 -2.21 114.93 116.04 3dvh h MET 17 Ca 0.00 -0.82 0.13 0.00 -0.28 0.00 0.00 59.70 58.73 3dvh h MET 17 Cb 0.68 0.28 -0.09 0.00 -0.80 0.00 0.00 31.60 31.66 3dvh h MET 17 CO 0.05 1.37 0.13 1.96 0.23 0.00 0.00 176.91 180.65 3dvh h GLN 18 N 0.24 0.25 -0.25 0.39 4.20 -0.72 0.15 115.11 119.37 3dvh h GLN 18 Ca -0.19 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.48 3dvh h GLN 18 Cb 1.96 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.67 3dvh h GLN 18 CO 0.24 0.16 0.07 0.37 -0.67 0.00 0.00 178.83 179.00 3dvh h GLN 19 N 0.25 0.40 -0.59 1.46 5.75 -1.24 -0.59 115.11 120.56 3dvh h GLN 19 Ca 0.34 -0.09 0.10 0.00 -0.15 0.00 0.00 58.65 58.85 3dvh h GLN 19 Cb 0.53 -0.05 -0.08 0.00 1.07 0.00 0.00 27.48 28.95 3dvh h GLN 19 CO -0.44 0.50 0.17 -0.44 -2.65 0.00 0.00 178.83 175.96 3dvh h ASP 20 N 0.24 0.10 -0.46 -0.69 3.32 -1.13 0.25 116.42 118.05 3dvh h ASP 20 Ca 0.08 0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 3dvh h ASP 20 Cb 0.27 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3dvh h ASP 20 CO 0.00 0.07 0.28 0.00 -1.72 0.00 0.00 179.24 177.87 3dvh h ALA 21 N 1.44 0.59 -0.38 3.45 0.00 -0.14 0.33 119.26 124.54 3dvh h ALA 21 Ca 0.30 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3dvh h ALA 21 Cb 0.42 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3dvh h ALA 21 CO -0.35 0.07 0.21 0.28 0.00 0.00 0.00 179.25 179.46 3dvh h VAL 22 N 0.62 1.15 -0.67 0.00 2.07 -0.66 -1.05 116.25 117.71 3dvh h VAL 22 Ca 0.17 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 3dvh h VAL 22 Cb -0.02 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 3dvh h VAL 22 CO -0.03 0.15 0.18 0.44 0.02 0.00 0.00 177.57 178.33 3dvh h ASP 23 N 0.49 1.00 -0.39 0.57 3.32 -0.23 -1.03 116.42 120.15 3dvh h ASP 23 Ca 0.13 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 3dvh h ASP 23 Cb 0.06 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3dvh h ASP 23 CO -0.02 0.96 0.16 0.00 -1.72 0.00 0.00 179.24 178.62 3dvh h ALA 25 N 1.01 1.11 0.08 0.00 0.00 -1.11 -0.10 119.26 120.25 3dvh h ALA 25 Ca 0.13 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3dvh h ALA 25 Cb 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3dvh h ALA 25 CO -0.01 0.59 -0.04 1.15 0.00 0.00 0.00 179.25 180.94 3dvh h THR 26 N 0.20 0.96 -1.01 0.00 2.02 -1.07 -1.64 112.91 112.36 3dvh h THR 26 Ca 0.02 -0.12 0.07 0.00 0.77 0.00 0.00 66.41 67.14 3dvh h THR 26 Cb 0.81 1.04 -0.07 0.00 -1.74 0.00 0.00 68.15 68.19 3dvh h THR 26 CO 0.06 0.03 0.65 1.56 0.37 0.00 0.00 175.52 178.20 3dvh h GLN 27 N -0.16 1.15 -0.45 6.66 4.20 -1.00 -2.62 115.11 122.88 3dvh h GLN 27 Ca -0.01 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.57 3dvh h GLN 27 Cb 0.13 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 3dvh h GLN 27 CO 0.02 0.76 0.05 0.00 -0.67 0.00 0.00 178.83 178.98 3dvh h ALA 28 N 1.46 0.60 0.00 3.87 0.00 -0.73 -1.91 119.26 122.55 3dvh h ALA 28 Ca 0.44 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3dvh h ALA 28 Cb 0.17 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3dvh h ALA 28 CO -0.18 0.35 -0.08 -0.07 0.00 0.00 0.00 179.25 179.27 3dvh h LEU 29 N 0.62 0.00 0.15 0.00 3.38 -0.99 0.17 115.31 118.64 3dvh h LEU 29 Ca 0.13 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.80 3dvh h LEU 29 Cb 0.43 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.18 3dvh h LEU 29 CO 0.01 0.08 -1.45 -0.33 0.09 0.00 0.00 178.44 176.85 3dvh h GLU 30 N 0.00 0.33 0.00 1.13 5.08 -1.10 -3.38 114.58 116.63 3dvh h GLU 30 Ca -0.00 -0.56 -0.14 0.00 -1.00 0.00 0.00 59.36 57.66 3dvh h GLU 30 Cb 0.39 0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 3dvh h GLU 30 CO 0.01 1.23 -1.45 1.63 -1.00 0.00 0.00 179.01 179.43 3dvh n LYS 31 N -3.54 0.63 -4.12 2.33 5.02 -0.76 -4.96 118.16 112.76 3dvh n LYS 31 Ca -0.15 0.16 -0.13 0.00 -2.02 0.00 0.00 58.31 56.18 3dvh n LYS 31 Cb 1.05 -1.77 -0.11 0.00 -0.02 0.00 0.00 35.03 34.18 3dvh n LYS 31 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3dvh s TYR 32 N -3.01 0.84 -0.20 2.13 2.02 0.53 -5.08 117.35 114.58 3dvh s TYR 32 Ca -0.03 -0.62 -0.00 0.00 -0.37 0.00 0.00 57.07 56.04 3dvh s TYR 32 Cb 0.09 -0.49 -0.13 0.00 -0.40 0.00 0.00 41.96 41.04 3dvh s TYR 32 CO 0.82 -0.07 -0.19 0.09 -1.57 0.00 0.00 175.55 174.62 3dvh n ASN 33 N 0.92 2.31 -4.83 2.29 3.02 -1.26 -4.53 115.26 113.18 3dvh n ASN 33 Ca -0.19 -0.06 -0.34 0.00 -0.03 0.00 0.00 54.58 53.97 3dvh n ASN 33 Cb 0.57 -0.36 -0.06 0.00 -0.61 0.00 0.00 39.78 39.31 3dvh n ASN 33 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3dvh s ILE 34 N -2.40 4.62 0.18 2.41 -4.36 -1.26 -4.95 121.20 115.44 3dvh s ILE 34 Ca -0.27 1.10 -0.12 0.00 -0.26 0.00 0.00 60.65 61.10 3dvh s ILE 34 Cb 0.08 -3.70 0.09 0.00 1.25 0.00 0.00 42.46 40.18 3dvh s ILE 34 CO 0.45 -0.06 1.78 -0.33 0.24 0.00 0.00 174.94 177.02 3dvh h GLU 35 N 2.63 0.87 -0.82 0.37 5.08 -1.95 -2.36 114.58 118.41 3dvh h GLU 35 Ca -0.48 -0.11 0.04 0.00 -1.00 0.00 0.00 59.36 57.80 3dvh h GLU 35 Cb 1.18 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 30.22 3dvh h GLU 35 CO 0.65 0.68 0.54 -1.35 -1.00 0.00 0.00 179.01 178.53 3dvh h PRO 36 N 0.84 0.98 -0.16 2.33 0.11 -1.94 -0.72 132.00 133.44 3dvh h PRO 36 Ca 0.22 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.24 3dvh h PRO 36 Cb 0.08 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 3dvh h PRO 36 CO -0.03 0.65 -0.00 -0.44 -0.21 0.00 0.00 178.00 177.96 3dvh h ASP 37 N 1.00 0.28 -0.09 -2.05 3.32 -1.87 -0.96 116.42 116.06 3dvh h ASP 37 Ca 0.33 -0.31 0.04 0.00 0.02 0.00 0.00 57.03 57.11 3dvh h ASP 37 Cb 0.05 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.47 3dvh h ASP 37 CO -0.10 0.52 -0.23 0.40 -1.72 0.00 0.00 179.24 178.12 3dvh h ILE 38 N 0.03 0.45 -0.60 0.35 2.04 -1.27 -1.28 117.51 117.23 3dvh h ILE 38 Ca 0.05 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.01 3dvh h ILE 38 Cb 0.38 0.45 -0.08 0.00 -0.74 0.00 0.00 36.82 36.83 3dvh h ILE 38 CO 0.01 0.00 0.19 0.00 0.00 0.00 0.00 178.15 178.35 3dvh h ALA 39 N 0.62 0.76 -0.53 1.87 0.00 -1.11 -2.61 119.26 118.26 3dvh h ALA 39 Ca 0.09 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3dvh h ALA 39 Cb 0.44 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3dvh h ALA 39 CO -0.27 -0.24 0.20 0.00 0.00 0.00 0.00 179.25 178.94 3dvh h ALA 40 N 1.44 0.69 -0.12 0.00 0.00 -0.95 -0.01 119.26 120.32 3dvh h ALA 40 Ca 0.31 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3dvh h ALA 40 Cb 0.42 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3dvh h ALA 40 CO -0.34 0.32 0.03 -0.92 0.00 0.00 0.00 179.25 178.34 3dvh h TYR 41 N 0.72 0.05 -0.05 0.00 3.20 -0.93 -1.20 116.97 118.76 3dvh h TYR 41 Ca 0.18 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 3dvh h TYR 41 Cb 0.22 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 3dvh h TYR 41 CO 0.01 0.02 -0.01 0.82 -1.64 0.00 0.00 178.16 177.37 3dvh h ILE 42 N 0.08 1.27 -0.48 1.81 2.04 -1.23 -1.08 117.51 119.93 3dvh h ILE 42 Ca 0.05 -0.84 0.10 0.00 1.00 0.00 0.00 64.86 65.17 3dvh h ILE 42 Cb 0.04 1.73 -0.10 0.00 -0.74 0.00 0.00 36.82 37.75 3dvh h ILE 42 CO -0.06 0.23 -0.17 0.50 0.00 0.00 0.00 178.15 178.64 3dvh h LYS 43 N -0.22 -0.06 -0.14 2.37 3.11 -0.93 -0.28 116.57 120.41 3dvh h LYS 43 Ca 0.01 0.00 -0.17 0.00 -2.81 0.00 0.00 60.65 57.69 3dvh h LYS 43 Cb 0.37 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.60 3dvh h LYS 43 CO 0.00 -0.04 -0.61 0.87 -2.81 0.00 0.00 179.45 176.86 3dvh h LYS 44 N -0.07 0.49 -0.51 1.90 1.57 -1.19 0.16 116.57 118.93 3dvh h LYS 44 Ca 0.23 -0.34 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 3dvh h LYS 44 Cb 0.42 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 3dvh h LYS 44 CO -0.53 0.95 0.18 0.93 -0.57 0.00 0.00 179.45 180.42 3dvh h GLU 45 N 0.36 0.77 -0.41 3.15 4.39 -0.82 -1.46 114.58 120.58 3dvh h GLU 45 Ca -0.01 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.54 3dvh h GLU 45 Cb 1.16 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.67 3dvh h GLU 45 CO 0.11 0.70 0.25 0.74 -1.16 0.00 0.00 179.01 179.66 3dvh h PHE 46 N 0.69 0.53 -0.65 4.33 -1.00 -0.83 -1.22 116.94 118.79 3dvh h PHE 46 Ca 0.17 0.00 0.13 0.00 2.81 0.00 0.00 57.97 61.08 3dvh h PHE 46 Cb 0.23 -0.18 -0.09 0.00 3.61 0.00 0.00 35.95 39.52 3dvh h PHE 46 CO 0.01 0.36 0.15 -0.44 -1.61 0.00 0.00 178.31 176.78 3dvh h ASP 47 N 0.54 0.01 0.29 2.17 3.32 -0.83 0.24 116.42 122.16 3dvh h ASP 47 Ca 0.15 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 3dvh h ASP 47 Cb -0.02 0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3dvh h ASP 47 CO -0.03 -0.00 -0.14 0.50 -1.72 0.00 0.00 179.24 177.85 3dvh h LYS 48 N 0.27 -0.37 0.05 3.56 3.64 -1.01 -0.32 116.57 122.38 3dvh h LYS 48 Ca 0.35 0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 59.54 3dvh h LYS 48 Cb 0.54 0.08 0.02 0.00 -0.41 0.00 0.00 32.23 32.47 3dvh h LYS 48 CO -0.44 -0.18 -0.87 -0.22 -2.27 0.00 0.00 179.45 175.47 3dvh h LYS 49 N -0.49 0.51 -0.25 1.90 3.64 -1.12 -3.35 116.57 117.40 3dvh h LYS 49 Ca -0.04 -0.61 0.00 0.00 -1.27 0.00 0.00 60.65 58.73 3dvh h LYS 49 Cb 0.37 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3dvh h LYS 49 CO 0.07 1.23 0.00 0.66 -2.27 0.00 0.00 179.45 179.14 3dvh n TYR 50 N -4.04 0.33 -0.23 1.91 4.02 0.82 -5.09 117.16 114.88 3dvh n TYR 50 Ca -0.12 -0.35 0.00 0.00 -0.01 0.00 0.00 57.90 57.43 3dvh n TYR 50 Cb 0.81 -0.02 -0.00 0.00 -0.02 0.00 0.00 39.34 40.11 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 0.57 -1.24 -4.71 7.72 5.03 -0.14 -4.96 115.26 117.54 3dvh n ASN 51 Ca 0.10 0.27 -0.31 0.00 0.87 0.00 0.00 54.58 55.51 3dvh n ASN 51 Cb 0.39 0.02 0.13 0.00 -1.02 0.00 0.00 39.78 39.29 3dvh n ASN 51 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 3dvh s PRO 52 N -4.10 1.60 -0.18 3.52 0.04 -1.20 -4.27 135.00 130.41 3dvh s PRO 52 Ca 0.00 1.45 0.01 0.00 0.04 0.00 0.00 61.00 62.50 3dvh s PRO 52 Cb 0.00 -1.80 0.03 0.00 0.04 0.00 0.00 34.50 32.76 3dvh s PRO 52 CO 0.00 -2.18 -0.17 0.99 0.04 0.00 0.00 177.00 175.68 3dvh s THR 53 N -2.64 1.86 0.17 1.26 2.01 -1.26 -5.06 115.64 111.98 3dvh s THR 53 Ca 0.66 -0.89 -0.01 0.00 0.31 0.00 0.00 61.69 61.76 3dvh s THR 53 Cb -0.22 -1.74 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 3dvh s THR 53 CO 0.55 0.44 0.36 0.26 -0.69 0.00 0.00 174.62 175.55 3dvh s TRP 54 N 1.36 3.48 0.05 4.92 0.52 -1.26 -4.24 118.94 123.76 3dvh s TRP 54 Ca 0.04 0.37 0.05 0.00 0.02 0.00 0.00 56.10 56.58 3dvh s TRP 54 Cb -0.14 -1.87 -0.02 0.00 -1.15 0.00 0.00 33.47 30.29 3dvh s TRP 54 CO -0.11 0.42 -0.14 -1.01 0.02 0.00 0.00 176.95 176.12 3dvh s HIS 55 N -1.78 1.23 -0.05 -1.98 3.76 0.43 -4.97 115.29 111.94 3dvh s HIS 55 Ca 0.39 -0.38 -0.03 0.00 -0.15 0.00 0.00 55.06 54.89 3dvh s HIS 55 Cb -0.11 -0.72 0.03 0.00 1.11 0.00 0.00 32.58 32.88 3dvh s HIS 55 CO 0.28 0.04 0.12 0.00 -0.85 0.00 0.00 174.74 174.33 3dvh s ILE 57 N 0.69 1.88 -0.07 0.00 -1.09 0.42 -4.85 121.20 118.18 3dvh s ILE 57 Ca -0.05 -0.93 -0.00 0.00 -2.23 0.00 0.00 60.65 57.44 3dvh s ILE 57 Cb -0.07 -1.62 0.02 0.00 -1.58 0.00 0.00 42.46 39.21 3dvh s ILE 57 CO -0.03 0.52 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.47 3dvh s VAL 58 N 0.24 0.67 -0.08 2.92 1.01 -1.26 -0.14 120.40 123.76 3dvh s VAL 58 Ca -0.14 -0.12 -0.32 0.00 0.00 0.00 0.00 61.98 61.40 3dvh s VAL 58 Cb -0.16 -0.72 0.13 0.00 0.00 0.00 0.00 36.38 35.63 3dvh s VAL 58 CO 0.07 0.29 1.34 -0.83 0.00 0.00 0.00 175.10 175.96 3dvh s GLY 59 N 1.45 -0.42 0.07 4.51 0.00 -0.16 -4.83 107.32 107.94 3dvh s GLY 59 Ca -0.02 0.97 0.22 0.00 0.00 0.00 0.00 44.72 45.89 3dvh s GLY 59 CO -0.03 0.22 0.74 0.54 0.00 0.00 0.00 173.10 174.57 3dvh n ARG 60 N -0.41 0.62 -3.51 2.90 1.74 -1.26 -0.80 116.66 115.94 3dvh n ARG 60 Ca -0.07 -0.05 -0.23 0.00 -0.77 0.00 0.00 57.85 56.73 3dvh n ARG 60 Cb 0.62 -1.66 -0.14 0.00 -1.02 0.00 0.00 32.46 30.27 3dvh n ARG 60 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3dvh s ASN 61 N -4.86 2.34 -0.12 0.55 3.84 -1.26 -4.90 114.94 110.53 3dvh s ASN 61 Ca -0.04 -0.76 -0.30 0.00 0.21 0.00 0.00 52.86 51.96 3dvh s ASN 61 Cb 0.12 0.05 0.10 0.00 -0.55 0.00 0.00 41.25 40.97 3dvh s ASN 61 CO 0.85 -0.38 0.87 0.72 -2.79 0.00 0.00 177.10 176.37 3dvh s PHE 62 N 2.22 -0.49 0.31 0.43 -0.12 -1.26 -5.16 117.98 113.90 3dvh s PHE 62 Ca 0.07 0.86 0.08 0.00 -0.05 0.00 0.00 56.93 57.89 3dvh s PHE 62 Cb -0.15 0.43 -0.06 0.00 -0.63 0.00 0.00 43.02 42.60 3dvh s PHE 62 CO -0.24 -0.45 -0.08 0.20 -0.05 0.00 0.00 175.22 174.61 3dvh s GLY 63 N -1.09 1.99 0.07 1.99 0.00 -1.26 -5.14 107.32 103.88 3dvh s GLY 63 Ca -0.05 -1.98 -0.08 0.00 0.00 0.00 0.00 44.72 42.60 3dvh s GLY 63 CO 0.05 -1.93 0.18 -1.35 0.00 0.00 0.00 173.10 170.05 3dvh s SER 64 N -3.52 0.11 -0.23 1.64 1.04 -1.26 -5.10 113.70 106.38 3dvh s SER 64 Ca 0.31 -0.56 -0.03 0.00 0.48 0.00 0.00 55.95 56.15 3dvh s SER 64 Cb 0.03 0.31 0.10 0.00 0.10 0.00 0.00 66.02 66.56 3dvh s SER 64 CO 0.14 -0.65 0.20 -0.47 0.98 0.00 0.00 173.24 173.44 3dvh s TYR 65 N -3.33 -0.15 0.26 5.02 5.04 -1.26 -5.15 117.35 117.78 3dvh s TYR 65 Ca 0.01 -0.14 0.06 0.00 -2.44 0.00 0.00 57.07 54.55 3dvh s TYR 65 Cb 0.03 -0.53 -0.06 0.00 0.35 0.00 0.00 41.96 41.75 3dvh s TYR 65 CO -0.08 -0.71 -0.05 0.14 -1.34 0.00 0.00 175.55 173.51 3dvh s VAL 66 N 2.27 1.49 -0.26 3.14 -7.23 -1.26 -5.13 120.40 113.41 3dvh s VAL 66 Ca 0.07 -2.10 0.02 0.00 -1.81 0.00 0.00 61.98 58.16 3dvh s VAL 66 Cb -0.15 -2.40 0.06 0.00 0.56 0.00 0.00 36.38 34.44 3dvh s VAL 66 CO -0.21 -0.32 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.27 3dvh s THR 67 N -3.12 2.34 0.17 5.32 2.01 -1.26 -5.08 115.64 116.02 3dvh s THR 67 Ca 0.29 -1.55 0.06 0.00 0.31 0.00 0.00 61.69 60.80 3dvh s THR 67 Cb 0.04 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 3dvh s THR 67 CO 0.11 -0.02 0.07 -1.38 -0.69 0.00 0.00 174.62 172.70 3dvh s HIS 68 N 1.14 2.99 0.17 4.92 -3.43 -1.26 -0.22 115.29 119.60 3dvh s HIS 68 Ca -0.08 -0.08 -0.30 0.00 -0.80 0.00 0.00 55.06 53.80 3dvh s HIS 68 Cb -0.20 -1.44 -0.08 0.00 -1.43 0.00 0.00 32.58 29.43 3dvh s HIS 68 CO -0.05 0.52 1.33 -2.00 -2.00 0.00 0.00 174.74 172.55 3dvh s GLU 69 N -3.02 4.37 0.15 -0.38 2.12 0.69 -4.00 118.70 118.63 3dvh s GLU 69 Ca 0.29 2.05 -0.33 0.00 0.36 0.00 0.00 54.97 57.34 3dvh s GLU 69 Cb -0.10 -3.22 -0.16 0.00 0.26 0.00 0.00 34.13 30.91 3dvh s GLU 69 CO 0.21 -0.31 1.10 -2.37 -0.54 0.00 0.00 175.26 173.35 3dvh n THR 70 N 3.11 0.87 -0.99 -1.70 5.66 -1.26 -1.40 114.28 118.57 3dvh n THR 70 Ca 0.08 -0.22 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 3dvh n THR 70 Cb 0.43 -0.68 0.00 0.00 -1.55 0.00 0.00 70.33 68.53 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 1.67 -0.66 -2.94 1.09 5.12 -1.22 -4.90 116.66 114.83 3dvh n ARG 71 Ca 0.16 0.16 -0.22 0.00 -1.93 0.00 0.00 57.85 56.03 3dvh n ARG 71 Cb 0.23 -3.68 -0.02 0.00 -1.16 0.00 0.00 32.46 27.83 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 -2.59 2.21 -3.69 -1.55 8.25 -0.43 -4.20 115.22 113.22 3dvh n HIS 72 Ca 0.00 -3.67 -0.11 0.00 -0.26 0.00 0.00 57.72 53.68 3dvh n HIS 72 Cb 0.16 -0.40 -0.09 0.00 1.12 0.00 0.00 29.99 30.78 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 -3.06 -0.67 -0.12 4.41 2.19 -0.51 -1.49 117.98 118.73 3dvh s PHE 73 Ca 0.43 1.47 -0.10 0.00 0.33 0.00 0.00 56.93 59.06 3dvh s PHE 73 Cb 0.34 0.31 0.03 0.00 -1.31 0.00 0.00 43.02 42.39 3dvh s PHE 73 CO -0.10 -0.35 0.31 -1.50 1.83 0.00 0.00 175.22 175.41 3dvh s ILE 74 N 1.02 -0.00 -0.12 3.12 2.07 -0.32 0.74 121.20 127.71 3dvh s ILE 74 Ca -0.06 0.02 -0.01 0.00 -1.41 0.00 0.00 60.65 59.19 3dvh s ILE 74 Cb -0.06 -0.44 0.03 0.00 0.13 0.00 0.00 42.46 42.11 3dvh s ILE 74 CO -0.09 0.01 -0.06 -0.47 -1.91 0.00 0.00 174.94 172.42 3dvh s TYR 75 N 0.32 1.42 0.13 3.50 5.04 0.65 -0.75 117.35 127.65 3dvh s TYR 75 Ca -0.01 -0.74 -0.10 0.00 -2.44 0.00 0.00 57.07 53.77 3dvh s TYR 75 Cb -0.03 -1.20 0.00 0.00 0.35 0.00 0.00 41.96 41.09 3dvh s TYR 75 CO -0.01 -0.51 0.28 -0.59 -1.34 0.00 0.00 175.55 173.37 3dvh s PHE 76 N 1.73 0.16 -0.08 4.97 -0.71 -0.21 -0.52 117.98 123.32 3dvh s PHE 76 Ca 0.04 -0.55 -0.01 0.00 -1.04 0.00 0.00 56.93 55.37 3dvh s PHE 76 Cb -0.13 0.02 -0.03 0.00 -1.21 0.00 0.00 43.02 41.67 3dvh s PHE 76 CO -0.08 -0.66 -0.02 0.71 -1.34 0.00 0.00 175.22 173.84 3dvh s TYR 77 N -3.89 3.10 -0.32 3.49 1.51 0.71 0.63 117.35 122.58 3dvh s TYR 77 Ca 0.09 0.13 0.02 0.00 -1.01 0.00 0.00 57.07 56.30 3dvh s TYR 77 Cb 0.03 -1.78 0.10 0.00 -0.11 0.00 0.00 41.96 40.20 3dvh s TYR 77 CO -0.07 0.42 0.06 -1.17 -1.11 0.00 0.00 175.55 173.68 3dvh s LEU 78 N -0.81 3.60 0.00 -1.29 2.96 0.26 -1.51 118.68 121.89 3dvh s LEU 78 Ca 0.12 -1.89 0.00 0.00 -0.22 0.00 0.00 54.13 52.15 3dvh s LEU 78 Cb -0.11 -1.29 0.00 0.00 0.50 0.00 0.00 46.19 45.29 3dvh s LEU 78 CO 0.02 -0.39 0.00 0.61 -1.32 0.00 0.00 176.35 175.27 3dvh n GLY 79 N 4.52 2.67 0.60 7.98 0.00 -1.08 -2.54 105.19 117.34 3dvh n GLY 79 Ca 0.01 -0.31 0.09 0.00 0.00 0.00 0.00 46.02 45.81 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 13.49 1.78 -3.42 1.61 6.02 -1.26 -4.86 117.38 130.75 3dvh n GLN 80 Ca 0.00 -1.18 -0.38 0.00 -0.01 0.00 0.00 57.00 55.43 3dvh n GLN 80 Cb 0.00 -1.36 -0.08 0.00 1.02 0.00 0.00 30.24 29.81 3dvh n GLN 80 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3dvh s VAL 81 N -1.70 5.21 0.09 5.09 1.01 -1.05 -4.62 120.40 124.42 3dvh s VAL 81 Ca 0.30 0.61 -0.25 0.00 0.00 0.00 0.00 61.98 62.64 3dvh s VAL 81 Cb 0.16 -3.70 -0.06 0.00 0.00 0.00 0.00 36.38 32.78 3dvh s VAL 81 CO 0.23 0.23 0.75 0.00 0.00 0.00 0.00 175.10 176.32 3dvh s ALA 82 N 1.55 3.42 -0.12 5.51 0.00 0.02 -0.57 121.76 131.57 3dvh s ALA 82 Ca 0.16 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.43 3dvh s ALA 82 Cb -0.15 -2.95 0.02 0.00 0.00 0.00 0.00 23.12 20.03 3dvh s ALA 82 CO 0.08 0.17 -0.14 0.42 0.00 0.00 0.00 175.76 176.29 3dvh s ILE 83 N -0.53 1.49 -0.23 0.00 1.09 0.21 -0.99 121.20 122.23 3dvh s ILE 83 Ca 0.37 -0.62 -0.06 0.00 -1.10 0.00 0.00 60.65 59.24 3dvh s ILE 83 Cb -0.21 -1.38 -0.02 0.00 -1.06 0.00 0.00 42.46 39.79 3dvh s ILE 83 CO 0.24 0.44 0.02 -0.22 -0.10 0.00 0.00 174.94 175.32 3dvh s LEU 84 N 1.17 3.22 -0.06 2.97 2.96 0.81 -1.05 118.68 128.70 3dvh s LEU 84 Ca -0.03 -0.27 -0.01 0.00 -0.22 0.00 0.00 54.13 53.61 3dvh s LEU 84 Cb -0.14 -1.84 0.03 0.00 0.50 0.00 0.00 46.19 44.73 3dvh s LEU 84 CO -0.05 -0.02 -0.01 -0.22 -1.32 0.00 0.00 176.35 174.74 3dvh s LEU 85 N 1.48 0.77 0.16 -0.68 2.96 0.07 -0.44 118.68 123.00 3dvh s LEU 85 Ca 0.05 -0.09 -0.22 0.00 -0.22 0.00 0.00 54.13 53.66 3dvh s LEU 85 Cb -0.15 -0.42 0.06 0.00 0.50 0.00 0.00 46.19 46.18 3dvh s LEU 85 CO 0.01 -0.16 0.58 0.72 -1.32 0.00 0.00 176.35 176.18 3dvh s PHE 86 N 1.71 -0.46 -0.05 5.38 -0.71 -0.92 -1.17 117.98 121.75 3dvh s PHE 86 Ca 0.01 0.22 -0.05 0.00 -1.04 0.00 0.00 56.93 56.07 3dvh s PHE 86 Cb -0.13 0.52 -0.04 0.00 -1.21 0.00 0.00 43.02 42.17 3dvh s PHE 86 CO -0.04 -0.86 0.17 0.15 -1.34 0.00 0.00 175.22 173.31 3dvh s LYS 87 N -3.77 3.45 0.41 1.99 1.02 -0.55 -0.42 119.74 121.87 3dvh s LYS 87 Ca 0.02 -0.22 -0.26 0.00 0.02 0.00 0.00 55.97 55.52 3dvh s LYS 87 Cb -0.01 -3.13 -0.09 0.00 -0.52 0.00 0.00 37.83 34.08 3dvh s LYS 87 CO -0.11 0.71 1.38 0.45 -0.92 0.00 0.00 175.35 176.86 3dvh s SER 88 N -1.56 6.17 0.00 2.83 0.15 -1.26 -0.22 113.70 119.80 3dvh s SER 88 Ca 0.23 2.83 0.20 0.00 0.70 0.00 0.00 55.95 59.91 3dvh s SER 88 Cb -0.12 -2.65 1.19 0.00 -1.71 0.00 0.00 66.02 62.73 3dvh s SER 88 CO 0.13 -0.97 1.58 0.61 1.20 0.00 0.00 173.24 175.79