#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 3.54 -0.14 3.14 0.00 -1.26 -0.24 121.76 126.80 3dvh s ALA 6 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 51.96 51.66 3dvh s ALA 6 Cb 0.00 -2.94 0.04 0.00 0.00 0.00 0.00 23.12 20.22 3dvh s ALA 6 CO 0.00 -0.52 -0.03 0.08 0.00 0.00 0.00 175.76 175.29 3dvh s VAL 7 N 1.83 0.81 -0.27 0.00 1.01 -0.14 -4.99 120.40 118.65 3dvh s VAL 7 Ca 0.28 -0.37 -0.26 0.00 0.00 0.00 0.00 61.98 61.63 3dvh s VAL 7 Cb -0.16 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.21 3dvh s VAL 7 CO 0.10 0.14 0.90 -0.63 0.00 0.00 0.00 175.10 175.62 3dvh s ILE 8 N 1.77 4.73 -0.12 2.22 1.01 -1.26 -0.85 121.20 128.70 3dvh s ILE 8 Ca 0.02 1.57 -0.19 0.00 0.00 0.00 0.00 60.65 62.06 3dvh s ILE 8 Cb -0.14 -4.22 -0.26 0.00 0.01 0.00 0.00 42.46 37.85 3dvh s ILE 8 CO -0.07 -0.22 0.56 0.11 0.00 0.00 0.00 174.94 175.32 3dvh h LYS 9 N 7.84 0.18 -2.27 2.79 1.79 -1.67 -3.48 116.57 121.76 3dvh h LYS 9 Ca -0.22 -0.31 -0.02 0.00 -2.18 0.00 0.00 60.65 57.93 3dvh h LYS 9 Cb 1.08 0.11 -0.24 0.00 -1.58 0.00 0.00 32.23 31.61 3dvh h LYS 9 CO 0.93 1.15 -0.23 -0.80 -1.08 0.00 0.00 179.45 179.41 3dvh s ASN 10 N -6.89 -0.70 0.05 0.86 0.01 -1.08 -5.04 114.94 102.15 3dvh s ASN 10 Ca -0.21 1.27 0.04 0.00 -0.71 0.00 0.00 52.86 53.26 3dvh s ASN 10 Cb 0.03 1.71 -0.02 0.00 0.41 0.00 0.00 41.25 43.38 3dvh s ASN 10 CO 0.73 -0.22 -0.13 0.00 -1.51 0.00 0.00 177.10 175.97 3dvh s ALA 11 N 2.57 1.03 -0.41 0.60 0.00 -1.26 -0.39 121.76 123.90 3dvh s ALA 11 Ca -0.05 -0.83 0.06 0.00 0.00 0.00 0.00 51.96 51.15 3dvh s ALA 11 Cb -0.11 -0.12 0.21 0.00 0.00 0.00 0.00 23.12 23.10 3dvh s ALA 11 CO -0.16 0.16 0.46 -3.47 0.00 0.00 0.00 175.76 172.75 3dvh n ASP 12 N 1.72 -0.52 -3.62 0.00 -0.08 0.56 -5.01 116.55 109.60 3dvh n ASP 12 Ca -0.19 -2.58 -0.05 0.00 -1.51 0.00 0.00 54.79 50.46 3dvh n ASP 12 Cb 0.55 -0.33 -0.02 0.00 2.34 0.00 0.00 41.12 43.66 3dvh n ASP 12 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3dvh s MET 13 N -0.37 0.81 0.73 -0.67 0.23 -1.25 -1.57 119.30 117.22 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 0.10 0.32 0.04 0.00 -1.53 0.00 0.00 34.83 33.76 3dvh s MET 13 CO -0.16 -0.36 1.20 -1.54 -2.03 0.00 0.00 175.02 172.13 3dvh s SER 14 N -2.68 4.19 0.37 -1.18 1.04 -1.26 -4.81 113.70 109.38 3dvh s SER 14 Ca 0.10 2.33 0.06 0.00 0.48 0.00 0.00 55.95 58.92 3dvh s SER 14 Cb -0.00 -2.59 0.73 0.00 0.10 0.00 0.00 66.02 64.26 3dvh s SER 14 CO -0.04 -2.26 1.95 -0.33 0.98 0.00 0.00 173.24 173.54 3dvh h GLU 15 N -0.35 0.49 0.44 4.02 5.08 -2.01 -1.61 114.58 120.64 3dvh h GLU 15 Ca -0.47 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 57.79 3dvh h GLU 15 Cb 1.29 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3dvh h GLU 15 CO 0.50 0.45 -0.23 1.49 -1.00 0.00 0.00 179.01 180.22 3dvh h GLU 16 N 0.49 -0.60 -0.12 2.33 4.81 -2.00 -2.62 114.58 116.88 3dvh h GLU 16 Ca 0.12 0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 3dvh h GLU 16 Cb 0.18 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 3dvh h GLU 16 CO -0.01 -0.40 -0.06 0.52 -0.73 0.00 0.00 179.01 178.34 3dvh h MET 17 N -0.62 0.17 0.12 1.92 2.86 -1.84 -1.53 114.93 116.02 3dvh h MET 17 Ca -0.05 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 3dvh h MET 17 Cb 0.49 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.12 3dvh h MET 17 CO 0.08 0.25 -0.06 1.96 1.06 0.00 0.00 176.91 180.20 3dvh h GLN 18 N 0.17 -0.16 -0.95 1.72 4.20 -1.30 -0.19 115.11 118.60 3dvh h GLN 18 Ca 0.04 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.78 3dvh h GLN 18 Cb 0.22 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.99 3dvh h GLN 18 CO 0.01 -0.08 0.63 0.37 -0.67 0.00 0.00 178.83 179.09 3dvh h GLN 19 N -0.19 1.22 -0.36 1.46 5.75 -1.08 -1.23 115.11 120.68 3dvh h GLN 19 Ca -0.02 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.40 3dvh h GLN 19 Cb 0.15 -0.28 -0.02 0.00 1.07 0.00 0.00 27.48 28.41 3dvh h GLN 19 CO 0.03 0.81 0.18 -0.44 -2.65 0.00 0.00 178.83 176.76 3dvh h ASP 20 N 1.26 0.47 -0.38 -0.69 3.32 -1.14 -0.93 116.42 118.33 3dvh h ASP 20 Ca 0.36 -0.12 0.07 0.00 0.02 0.00 0.00 57.03 57.36 3dvh h ASP 20 Cb -0.10 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.27 3dvh h ASP 20 CO -0.09 0.46 -0.03 0.00 -1.72 0.00 0.00 179.24 177.86 3dvh h ALA 21 N 1.03 0.32 0.06 3.45 0.00 -0.56 0.20 119.26 123.76 3dvh h ALA 21 Ca 0.12 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.18 3dvh h ALA 21 Cb 0.11 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3dvh h ALA 21 CO -0.02 -0.42 -0.28 0.28 0.00 0.00 0.00 179.25 178.82 3dvh h VAL 22 N 0.07 0.38 -0.53 0.00 2.07 -1.11 0.47 116.25 117.60 3dvh h VAL 22 Ca 0.19 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.71 3dvh h VAL 22 Cb 0.27 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 3dvh h VAL 22 CO -0.34 0.00 0.35 0.44 0.02 0.00 0.00 177.57 178.04 3dvh h ASP 23 N -0.46 0.60 -0.47 0.57 3.32 -1.00 -1.28 116.42 117.71 3dvh h ASP 23 Ca 0.05 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3dvh h ASP 23 Cb 0.52 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3dvh h ASP 23 CO -0.20 0.44 0.27 0.00 -1.72 0.00 0.00 179.24 178.02 3dvh h ALA 25 N 1.11 0.80 -0.25 0.00 0.00 -0.71 -0.85 119.26 119.36 3dvh h ALA 25 Ca 0.17 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.89 3dvh h ALA 25 Cb 0.03 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.53 3dvh h ALA 25 CO -0.03 0.55 -0.16 1.15 0.00 0.00 0.00 179.25 180.76 3dvh h THR 26 N 0.90 0.54 -0.52 0.00 2.02 -1.23 0.19 112.91 114.81 3dvh h THR 26 Ca 0.19 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.44 3dvh h THR 26 Cb 0.41 0.54 -0.06 0.00 -1.74 0.00 0.00 68.15 67.30 3dvh h THR 26 CO 0.01 0.00 0.19 1.56 0.37 0.00 0.00 175.52 177.65 3dvh h GLN 27 N -0.14 0.35 -0.31 6.66 1.08 -1.10 -2.06 115.11 119.59 3dvh h GLN 27 Ca 0.14 -0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.36 3dvh h GLN 27 Cb 0.35 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.66 3dvh h GLN 27 CO -0.34 0.23 0.07 0.00 -0.95 0.00 0.00 178.83 177.84 3dvh h ALA 28 N 1.35 0.33 -0.09 3.87 0.00 -0.64 -2.41 119.26 121.68 3dvh h ALA 28 Ca 0.25 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 3dvh h ALA 28 Cb 0.28 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3dvh h ALA 28 CO -0.26 -0.34 -0.10 -0.07 0.00 0.00 0.00 179.25 178.48 3dvh h LEU 29 N 0.18 0.12 -0.28 0.00 3.38 -0.56 -0.00 115.31 118.14 3dvh h LEU 29 Ca 0.15 -0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.90 3dvh h LEU 29 Cb 0.15 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3dvh h LEU 29 CO -0.19 0.24 -0.70 -0.33 0.09 0.00 0.00 178.44 177.56 3dvh h GLU 30 N 0.13 0.70 0.09 1.13 5.08 -1.04 -3.32 114.58 117.34 3dvh h GLU 30 Ca 0.03 -0.53 -0.15 0.00 -1.00 0.00 0.00 59.36 57.71 3dvh h GLU 30 Cb 0.27 0.10 0.02 0.00 0.50 0.00 0.00 28.75 29.63 3dvh h GLU 30 CO 0.02 1.15 -0.65 -0.22 -1.00 0.00 0.00 179.01 178.31 3dvh h LYS 31 N 0.49 0.27 -6.84 2.33 3.64 -1.23 -3.48 116.57 111.75 3dvh h LYS 31 Ca -0.03 -0.42 -0.69 0.00 -1.27 0.00 0.00 60.65 58.25 3dvh h LYS 31 Cb 1.30 0.15 -0.22 0.00 -0.41 0.00 0.00 32.23 33.05 3dvh h LYS 31 CO 0.14 1.17 -0.86 0.71 -2.27 0.00 0.00 179.45 178.34 3dvh s TYR 32 N -2.56 2.36 -0.35 1.91 2.02 -0.03 -5.03 117.35 115.66 3dvh s TYR 32 Ca -0.14 -0.36 0.11 0.00 -0.37 0.00 0.00 57.07 56.30 3dvh s TYR 32 Cb 0.01 -1.29 -0.14 0.00 -0.40 0.00 0.00 41.96 40.14 3dvh s TYR 32 CO 0.81 0.31 0.39 0.09 -1.57 0.00 0.00 175.55 175.58 3dvh n ASN 33 N 1.04 1.14 -4.67 2.29 3.02 -1.26 -4.41 115.26 112.41 3dvh n ASN 33 Ca -0.17 -0.51 -0.39 0.00 -0.03 0.00 0.00 54.58 53.48 3dvh n ASN 33 Cb 0.53 1.17 -0.07 0.00 -0.61 0.00 0.00 39.78 40.80 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 -2.26 5.10 0.18 2.41 1.01 -1.26 -4.99 121.20 121.40 3dvh s ILE 34 Ca 0.01 0.98 -0.13 0.00 0.00 0.00 0.00 60.65 61.52 3dvh s ILE 34 Cb 0.08 -3.85 0.09 0.00 0.01 0.00 0.00 42.46 38.78 3dvh s ILE 34 CO 0.45 0.19 1.79 -0.33 0.00 0.00 0.00 174.94 177.03 3dvh h GLU 35 N 7.38 0.51 -0.05 2.79 5.08 -1.94 0.79 114.58 129.14 3dvh h GLU 35 Ca -0.34 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3dvh h GLU 35 Cb 1.16 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 3dvh h GLU 35 CO 0.75 0.34 0.01 -1.35 -1.00 0.00 0.00 179.01 177.75 3dvh h PRO 36 N 0.52 0.07 -0.11 2.33 0.11 -1.95 0.13 132.00 133.10 3dvh h PRO 36 Ca 0.23 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.23 3dvh h PRO 36 Cb 0.13 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.23 3dvh h PRO 36 CO -0.16 0.06 -0.36 -0.44 -0.21 0.00 0.00 178.00 176.90 3dvh h ASP 37 N 0.07 0.51 -0.49 -2.05 3.32 -1.60 0.12 116.42 116.30 3dvh h ASP 37 Ca 0.02 -0.61 0.06 0.00 0.02 0.00 0.00 57.03 56.52 3dvh h ASP 37 Cb 0.03 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.38 3dvh h ASP 37 CO -0.00 1.03 0.19 0.40 -1.72 0.00 0.00 179.24 179.14 3dvh h ILE 38 N 0.01 0.86 -0.39 0.35 2.04 -0.65 -2.51 117.51 117.22 3dvh h ILE 38 Ca -0.01 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 3dvh h ILE 38 Cb 0.98 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 3dvh h ILE 38 CO 0.08 0.07 0.14 0.00 0.00 0.00 0.00 178.15 178.44 3dvh h ALA 39 N 1.31 0.51 -0.73 1.87 0.00 -0.65 -2.89 119.26 118.68 3dvh h ALA 39 Ca 0.23 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.13 3dvh h ALA 39 Cb 0.22 -0.15 -0.10 0.00 0.00 0.00 0.00 17.79 17.76 3dvh h ALA 39 CO -0.22 0.14 0.26 0.00 0.00 0.00 0.00 179.25 179.43 3dvh h ALA 40 N 0.99 1.01 -0.09 0.00 0.00 -0.60 -1.05 119.26 119.51 3dvh h ALA 40 Ca 0.13 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3dvh h ALA 40 Cb 0.22 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3dvh h ALA 40 CO -0.01 -0.25 0.04 -0.92 0.00 0.00 0.00 179.25 178.11 3dvh h TYR 41 N 0.39 0.13 -0.22 0.00 3.20 -1.29 -0.00 116.97 119.17 3dvh h TYR 41 Ca 0.41 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.24 3dvh h TYR 41 Cb 0.63 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 3dvh h TYR 41 CO -0.19 0.24 0.02 0.82 -1.64 0.00 0.00 178.16 177.40 3dvh h ILE 42 N -0.01 1.24 0.33 1.81 2.04 -1.30 -1.48 117.51 120.15 3dvh h ILE 42 Ca 0.03 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.07 3dvh h ILE 42 Cb 0.16 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 3dvh h ILE 42 CO -0.00 0.25 -0.43 0.50 0.00 0.00 0.00 178.15 178.47 3dvh h LYS 43 N 0.15 -0.78 -0.52 2.37 3.11 -1.04 -1.77 116.57 118.10 3dvh h LYS 43 Ca 0.06 0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 57.95 3dvh h LYS 43 Cb 0.36 0.18 -0.02 0.00 -1.00 0.00 0.00 32.23 31.75 3dvh h LYS 43 CO 0.01 -0.52 0.29 0.87 -2.81 0.00 0.00 179.45 177.29 3dvh h LYS 44 N -0.81 0.73 -0.64 1.90 1.57 -0.92 -1.08 116.57 117.33 3dvh h LYS 44 Ca -0.02 -0.09 0.11 0.00 -1.87 0.00 0.00 60.65 58.79 3dvh h LYS 44 Cb 0.75 -0.14 -0.08 0.00 0.08 0.00 0.00 32.23 32.83 3dvh h LYS 44 CO -0.12 0.57 0.19 1.49 -0.57 0.00 0.00 179.45 181.01 3dvh h GLU 45 N 0.70 0.33 -0.17 3.15 4.57 -1.20 0.27 114.58 122.23 3dvh h GLU 45 Ca 0.18 -0.02 -0.17 0.00 -1.18 0.00 0.00 59.36 58.17 3dvh h GLU 45 Cb 0.05 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.56 3dvh h GLU 45 CO -0.03 0.22 -0.61 0.74 -1.18 0.00 0.00 179.01 178.15 3dvh h PHE 46 N 0.34 0.75 -0.99 0.92 -1.00 -0.48 0.21 116.94 116.69 3dvh h PHE 46 Ca 0.33 -0.28 0.03 0.00 2.81 0.00 0.00 57.97 60.86 3dvh h PHE 46 Cb 0.48 -0.13 -0.06 0.00 3.61 0.00 0.00 35.95 39.85 3dvh h PHE 46 CO -0.21 1.04 0.65 -0.44 -1.61 0.00 0.00 178.31 177.74 3dvh h ASP 47 N 0.43 1.09 0.62 2.17 3.32 -0.95 0.44 116.42 123.55 3dvh h ASP 47 Ca -0.01 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 3dvh h ASP 47 Cb 1.17 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 40.48 3dvh h ASP 47 CO 0.12 0.75 -0.30 0.11 -1.72 0.00 0.00 179.24 178.20 3dvh h LYS 48 N 1.26 -0.81 0.00 3.56 1.57 -0.60 -2.60 116.57 118.96 3dvh h LYS 48 Ca 0.39 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 3dvh h LYS 48 Cb -0.03 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3dvh h LYS 48 CO -0.12 -0.54 -0.20 1.17 -0.57 0.00 0.00 179.45 179.19 3dvh n LYS 49 N -4.57 0.23 0.00 3.15 4.81 0.71 -4.00 118.16 118.48 3dvh n LYS 49 Ca -0.10 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 3dvh n LYS 49 Cb 0.33 -1.72 0.00 0.00 0.02 0.00 0.00 35.03 33.66 3dvh n LYS 49 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3dvh n TYR 50 N -2.09 0.00 -0.39 5.64 4.02 0.15 -5.04 117.16 119.46 3dvh n TYR 50 Ca 0.05 -0.11 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 3dvh n TYR 50 Cb 0.42 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.73 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 -0.11 -2.68 -4.53 7.72 5.03 -0.99 -4.95 115.26 114.74 3dvh n ASN 51 Ca 0.00 0.33 -0.32 0.00 0.87 0.00 0.00 54.58 55.46 3dvh n ASN 51 Cb 0.39 -0.42 0.15 0.00 -1.02 0.00 0.00 39.78 38.87 3dvh n ASN 51 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 3dvh n PRO 52 N -1.13 -0.42 -3.90 3.52 -0.04 -1.16 -4.37 135.00 127.50 3dvh n PRO 52 Ca 0.00 -0.07 -0.35 0.00 -0.04 0.00 0.00 63.50 63.04 3dvh n PRO 52 Cb 0.02 -2.09 -0.14 0.00 -0.04 0.00 0.00 33.50 31.25 3dvh n PRO 52 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3dvh s THR 53 N -2.50 3.36 0.16 0.52 2.01 -1.26 -5.05 115.64 112.88 3dvh s THR 53 Ca 0.61 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 62.03 3dvh s THR 53 Cb -0.22 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 3dvh s THR 53 CO 0.63 0.35 0.31 0.26 -0.69 0.00 0.00 174.62 175.48 3dvh s TRP 54 N 1.46 3.49 0.05 4.92 0.52 -1.26 -4.28 118.94 123.84 3dvh s TRP 54 Ca 0.05 0.19 0.05 0.00 0.02 0.00 0.00 56.10 56.40 3dvh s TRP 54 Cb -0.15 -1.72 -0.02 0.00 -1.15 0.00 0.00 33.47 30.42 3dvh s TRP 54 CO -0.03 0.48 -0.15 -1.01 0.02 0.00 0.00 176.95 176.26 3dvh s HIS 55 N -1.77 1.29 -0.02 -1.98 3.76 0.45 -4.97 115.29 112.05 3dvh s HIS 55 Ca 0.36 -0.39 0.01 0.00 -0.15 0.00 0.00 55.06 54.88 3dvh s HIS 55 Cb -0.11 -0.75 0.01 0.00 1.11 0.00 0.00 32.58 32.84 3dvh s HIS 55 CO 0.29 0.06 -0.03 0.00 -0.85 0.00 0.00 174.74 174.21 3dvh s ILE 57 N 0.46 1.70 -0.08 0.00 -1.09 0.01 -4.86 121.20 117.33 3dvh s ILE 57 Ca -0.05 -0.82 0.01 0.00 -2.23 0.00 0.00 60.65 57.56 3dvh s ILE 57 Cb -0.08 -1.48 0.02 0.00 -1.58 0.00 0.00 42.46 39.34 3dvh s ILE 57 CO -0.01 0.48 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.39 3dvh s VAL 58 N 0.36 1.04 -0.15 2.92 1.01 -1.26 -0.64 120.40 123.68 3dvh s VAL 58 Ca -0.15 -0.39 -0.34 0.00 0.00 0.00 0.00 61.98 61.11 3dvh s VAL 58 Cb -0.16 -0.99 0.13 0.00 0.00 0.00 0.00 36.38 35.36 3dvh s VAL 58 CO 0.06 0.35 1.20 -0.83 0.00 0.00 0.00 175.10 175.87 3dvh s GLY 59 N 1.00 -0.32 0.38 4.51 0.00 -0.34 -4.85 107.32 107.70 3dvh s GLY 59 Ca -0.08 1.43 0.23 0.00 0.00 0.00 0.00 44.72 46.30 3dvh s GLY 59 CO -0.00 0.46 1.54 3.21 0.00 0.00 0.00 173.10 178.31 3dvh h ARG 60 N 2.00 0.00 -1.94 2.90 3.08 -1.87 -0.13 114.38 118.42 3dvh h ARG 60 Ca -0.13 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.69 3dvh h ARG 60 Cb 1.18 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 30.92 3dvh h ARG 60 CO 0.24 0.00 -0.56 1.21 -1.07 0.00 0.00 179.97 179.79 3dvh s ASN 61 N -5.87 0.83 0.15 7.04 3.84 -1.26 -4.83 114.94 114.84 3dvh s ASN 61 Ca 0.06 -0.35 -0.24 0.00 0.21 0.00 0.00 52.86 52.55 3dvh s ASN 61 Cb 0.07 0.87 0.07 0.00 -0.55 0.00 0.00 41.25 41.70 3dvh s ASN 61 CO 0.68 -0.35 0.69 0.72 -2.79 0.00 0.00 177.10 176.05 3dvh s PHE 62 N 2.47 -0.43 0.17 0.43 -0.12 -1.26 -5.17 117.98 114.07 3dvh s PHE 62 Ca 0.10 0.19 0.00 0.00 -0.05 0.00 0.00 56.93 57.17 3dvh s PHE 62 Cb -0.14 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 42.79 3dvh s PHE 62 CO -0.26 -0.86 0.04 0.20 -0.05 0.00 0.00 175.22 174.29 3dvh s GLY 63 N -2.74 1.19 0.13 1.99 0.00 -1.26 -5.13 107.32 101.51 3dvh s GLY 63 Ca 0.04 -1.58 -0.12 0.00 0.00 0.00 0.00 44.72 43.06 3dvh s GLY 63 CO -0.08 -1.46 0.31 -1.35 0.00 0.00 0.00 173.10 170.51 3dvh s SER 64 N -3.14 -0.04 -0.24 1.64 1.04 -1.26 -5.11 113.70 106.60 3dvh s SER 64 Ca 0.26 -0.59 -0.03 0.00 0.48 0.00 0.00 55.95 56.07 3dvh s SER 64 Cb 0.07 0.43 0.10 0.00 0.10 0.00 0.00 66.02 66.72 3dvh s SER 64 CO 0.05 -0.84 0.20 -0.47 0.98 0.00 0.00 173.24 173.16 3dvh s TYR 65 N -3.87 -0.13 0.23 5.02 5.04 -1.26 -5.15 117.35 117.22 3dvh s TYR 65 Ca 0.08 -0.17 0.05 0.00 -2.44 0.00 0.00 57.07 54.59 3dvh s TYR 65 Cb 0.03 -0.54 -0.05 0.00 0.35 0.00 0.00 41.96 41.75 3dvh s TYR 65 CO -0.08 -0.71 -0.04 0.14 -1.34 0.00 0.00 175.55 173.52 3dvh s VAL 66 N 2.26 1.29 -0.29 3.14 -7.23 -1.26 -5.12 120.40 113.19 3dvh s VAL 66 Ca 0.07 -2.08 -0.06 0.00 -1.81 0.00 0.00 61.98 58.10 3dvh s VAL 66 Cb -0.15 -2.28 0.01 0.00 0.56 0.00 0.00 36.38 34.52 3dvh s VAL 66 CO -0.21 -0.40 0.06 -0.89 -0.31 0.00 0.00 175.10 173.35 3dvh s THR 67 N -3.25 3.80 0.24 5.32 2.01 -1.26 -5.09 115.64 117.41 3dvh s THR 67 Ca 0.27 -0.78 0.08 0.00 0.31 0.00 0.00 61.69 61.56 3dvh s THR 67 Cb 0.04 -2.98 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 3dvh s THR 67 CO 0.08 0.07 0.10 -1.38 -0.69 0.00 0.00 174.62 172.80 3dvh s HIS 68 N 1.47 2.94 0.14 4.92 -3.43 -1.26 -1.61 115.29 118.45 3dvh s HIS 68 Ca 0.02 -0.14 -0.26 0.00 -0.80 0.00 0.00 55.06 53.88 3dvh s HIS 68 Cb -0.17 -1.34 -0.07 0.00 -1.43 0.00 0.00 32.58 29.56 3dvh s HIS 68 CO 0.02 0.55 0.80 -2.00 -2.00 0.00 0.00 174.74 172.11 3dvh s GLU 69 N -3.60 4.59 0.34 -0.38 2.12 0.53 -3.92 118.70 118.38 3dvh s GLU 69 Ca 0.31 1.19 -0.27 0.00 0.36 0.00 0.00 54.97 56.56 3dvh s GLU 69 Cb -0.08 -3.30 -0.12 0.00 0.26 0.00 0.00 34.13 30.89 3dvh s GLU 69 CO 0.22 0.46 1.16 -2.37 -0.54 0.00 0.00 175.26 174.20 3dvh n THR 70 N 1.99 2.09 -0.85 -1.70 5.66 -1.26 -1.10 114.28 119.11 3dvh n THR 70 Ca -0.04 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.46 3dvh n THR 70 Cb 0.49 -1.34 0.00 0.00 -1.55 0.00 0.00 70.33 67.93 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 0.52 -0.98 -2.64 1.09 5.12 -1.18 -4.87 116.66 113.73 3dvh n ARG 71 Ca 0.07 0.24 -0.25 0.00 -1.93 0.00 0.00 57.85 55.98 3dvh n ARG 71 Cb 0.35 -4.38 -0.01 0.00 -1.16 0.00 0.00 32.46 27.27 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 -2.13 3.23 -3.71 -1.55 8.25 -0.25 -3.96 115.22 115.10 3dvh n HIS 72 Ca 0.00 -3.33 -0.11 0.00 -0.26 0.00 0.00 57.72 54.02 3dvh n HIS 72 Cb 0.24 -0.22 -0.12 0.00 1.12 0.00 0.00 29.99 31.02 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 -3.44 -0.51 -0.02 4.41 2.19 -0.73 -1.60 117.98 118.28 3dvh s PHE 73 Ca 0.46 1.12 -0.02 0.00 0.33 0.00 0.00 56.93 58.81 3dvh s PHE 73 Cb 0.37 0.19 0.01 0.00 -1.31 0.00 0.00 43.02 42.28 3dvh s PHE 73 CO -0.15 -0.31 0.07 -1.50 1.83 0.00 0.00 175.22 175.16 3dvh s ILE 74 N 1.37 0.00 -0.12 3.12 2.07 -0.41 -0.33 121.20 126.90 3dvh s ILE 74 Ca -0.09 -0.02 -0.00 0.00 -1.41 0.00 0.00 60.65 59.12 3dvh s ILE 74 Cb -0.09 -0.11 0.02 0.00 0.13 0.00 0.00 42.46 42.41 3dvh s ILE 74 CO -0.11 -0.01 -0.09 -0.47 -1.91 0.00 0.00 174.94 172.34 3dvh s TYR 75 N -0.01 1.63 0.12 3.50 5.04 0.48 -1.06 117.35 127.05 3dvh s TYR 75 Ca -0.00 -0.84 -0.11 0.00 -2.44 0.00 0.00 57.07 53.67 3dvh s TYR 75 Cb -0.01 -1.31 0.01 0.00 0.35 0.00 0.00 41.96 41.00 3dvh s TYR 75 CO 0.00 -0.55 0.28 -0.59 -1.34 0.00 0.00 175.55 173.36 3dvh s PHE 76 N 1.66 0.07 0.07 4.97 -0.71 0.08 -1.60 117.98 122.52 3dvh s PHE 76 Ca 0.05 -0.45 0.03 0.00 -1.04 0.00 0.00 56.93 55.52 3dvh s PHE 76 Cb -0.13 0.06 -0.04 0.00 -1.21 0.00 0.00 43.02 41.70 3dvh s PHE 76 CO -0.09 -0.64 0.06 0.71 -1.34 0.00 0.00 175.22 173.93 3dvh s TYR 77 N -3.86 3.16 -0.29 3.49 1.51 -0.03 0.74 117.35 122.06 3dvh s TYR 77 Ca 0.06 0.07 0.01 0.00 -1.01 0.00 0.00 57.07 56.20 3dvh s TYR 77 Cb 0.03 -1.62 0.09 0.00 -0.11 0.00 0.00 41.96 40.35 3dvh s TYR 77 CO -0.09 0.51 0.03 -0.51 -1.11 0.00 0.00 175.55 174.38 3dvh s LEU 78 N -2.29 3.17 0.00 -1.29 1.43 0.40 -0.96 118.68 119.13 3dvh s LEU 78 Ca 0.28 -1.63 0.00 0.00 -1.03 0.00 0.00 54.13 51.74 3dvh s LEU 78 Cb -0.12 -1.22 0.00 0.00 0.03 0.00 0.00 46.19 44.88 3dvh s LEU 78 CO 0.20 -0.34 0.00 0.61 0.23 0.00 0.00 176.35 177.05 3dvh n GLY 79 N 4.59 3.80 0.14 -3.19 0.00 0.66 -1.89 105.19 109.31 3dvh n GLY 79 Ca -0.04 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.09 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 13.95 0.71 -3.51 1.61 1.13 -1.26 -4.84 117.38 125.17 3dvh n GLN 80 Ca 0.00 -0.29 -0.37 0.00 -1.94 0.00 0.00 57.00 54.40 3dvh n GLN 80 Cb 0.00 -1.49 -0.08 0.00 0.11 0.00 0.00 30.24 28.77 3dvh n GLN 80 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3dvh s VAL 81 N -2.49 5.27 -0.01 5.09 1.01 -0.79 -4.43 120.40 124.05 3dvh s VAL 81 Ca 0.28 0.48 -0.03 0.00 0.00 0.00 0.00 61.98 62.71 3dvh s VAL 81 Cb 0.20 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 3dvh s VAL 81 CO 0.48 0.30 0.19 0.00 0.00 0.00 0.00 175.10 176.07 3dvh s ALA 82 N 1.17 3.95 -0.07 5.51 0.00 -0.06 -0.45 121.76 131.81 3dvh s ALA 82 Ca 0.14 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.37 3dvh s ALA 82 Cb -0.14 -1.90 0.02 0.00 0.00 0.00 0.00 23.12 21.09 3dvh s ALA 82 CO 0.06 0.74 -0.08 0.42 0.00 0.00 0.00 175.76 176.90 3dvh s ILE 83 N -1.32 0.88 -0.14 0.00 1.09 0.23 -1.20 121.20 120.74 3dvh s ILE 83 Ca 0.27 -0.30 -0.00 0.00 -1.10 0.00 0.00 60.65 59.52 3dvh s ILE 83 Cb -0.13 -0.86 -0.01 0.00 -1.06 0.00 0.00 42.46 40.40 3dvh s ILE 83 CO 0.18 0.31 -0.12 -0.22 -0.10 0.00 0.00 174.94 174.99 3dvh s LEU 84 N 1.00 2.74 -0.10 2.97 2.96 0.19 -0.75 118.68 127.69 3dvh s LEU 84 Ca -0.09 -0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 53.46 3dvh s LEU 84 Cb -0.15 -1.62 0.05 0.00 0.50 0.00 0.00 46.19 44.97 3dvh s LEU 84 CO -0.00 0.15 0.19 -0.22 -1.32 0.00 0.00 176.35 175.15 3dvh s LEU 85 N 0.42 -0.14 0.18 -0.68 2.96 -0.22 -0.81 118.68 120.38 3dvh s LEU 85 Ca -0.10 0.38 -0.19 0.00 -0.22 0.00 0.00 54.13 54.01 3dvh s LEU 85 Cb -0.16 0.39 0.04 0.00 0.50 0.00 0.00 46.19 46.96 3dvh s LEU 85 CO 0.05 -0.25 0.53 0.72 -1.32 0.00 0.00 176.35 176.09 3dvh s PHE 86 N 2.33 -0.26 -0.05 5.38 -0.71 -0.45 -1.28 117.98 122.93 3dvh s PHE 86 Ca 0.03 -0.05 -0.00 0.00 -1.04 0.00 0.00 56.93 55.86 3dvh s PHE 86 Cb -0.12 0.44 -0.03 0.00 -1.21 0.00 0.00 43.02 42.09 3dvh s PHE 86 CO -0.07 -0.88 -0.01 0.15 -1.34 0.00 0.00 175.22 173.07 3dvh s LYS 87 N -3.83 2.87 0.32 1.99 1.02 -0.63 -0.41 119.74 121.07 3dvh s LYS 87 Ca 0.06 -0.50 -0.28 0.00 0.02 0.00 0.00 55.97 55.26 3dvh s LYS 87 Cb -0.01 -2.72 -0.10 0.00 -0.52 0.00 0.00 37.83 34.49 3dvh s LYS 87 CO -0.07 0.67 1.15 0.45 -0.92 0.00 0.00 175.35 176.63 3dvh s SER 88 N -1.12 7.02 0.00 2.83 0.15 -1.26 -0.35 113.70 120.97 3dvh s SER 88 Ca 0.15 2.35 0.26 0.00 0.70 0.00 0.00 55.95 59.42 3dvh s SER 88 Cb -0.11 -2.63 0.70 0.00 -1.71 0.00 0.00 66.02 62.27 3dvh s SER 88 CO 0.05 -0.33 1.55 0.61 1.20 0.00 0.00 173.24 176.32