#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dvp s ALA 6 N 0.00 3.46 -0.13 3.14 0.00 -1.26 -4.56 121.76 122.41 3dvp s ALA 6 Ca 0.00 1.10 -0.00 0.00 0.00 0.00 0.00 51.96 53.05 3dvp s ALA 6 Cb 0.00 -3.42 0.03 0.00 0.00 0.00 0.00 23.12 19.73 3dvp s ALA 6 CO 0.00 -0.44 -0.08 0.08 0.00 0.00 0.00 175.76 175.32 3dvp s VAL 7 N -0.97 1.12 -0.57 0.00 1.01 -0.86 -5.00 120.40 115.13 3dvp s VAL 7 Ca 0.48 -0.41 -0.18 0.00 0.00 0.00 0.00 61.98 61.87 3dvp s VAL 7 Cb -0.36 -1.16 0.11 0.00 0.00 0.00 0.00 36.38 34.97 3dvp s VAL 7 CO 0.46 0.33 0.62 -0.63 0.00 0.00 0.00 175.10 175.89 3dvp s ILE 8 N 1.66 4.97 0.01 2.22 1.01 -1.26 -1.72 121.20 128.09 3dvp s ILE 8 Ca 0.04 -1.17 -0.21 0.00 0.00 0.00 0.00 60.65 59.30 3dvp s ILE 8 Cb -0.13 -4.43 -0.12 0.00 0.01 0.00 0.00 42.46 37.79 3dvp s ILE 8 CO -0.08 -1.02 1.00 0.11 0.00 0.00 0.00 174.94 174.95 3dvp h LYS 9 N 9.07 -0.74 -4.23 2.79 1.79 -1.87 -3.46 116.57 119.93 3dvp h LYS 9 Ca -0.30 0.05 -0.25 0.00 -2.18 0.00 0.00 60.65 57.98 3dvp h LYS 9 Cb 1.09 0.17 -0.24 0.00 -1.58 0.00 0.00 32.23 31.67 3dvp h LYS 9 CO 1.07 -0.49 -0.73 1.21 -1.08 0.00 0.00 179.45 179.44 3dvp s ASN 10 N -4.07 0.51 0.04 0.86 3.84 -1.08 -5.05 114.94 109.99 3dvp s ASN 10 Ca -0.11 -0.36 -0.27 0.00 0.21 0.00 0.00 52.86 52.33 3dvp s ASN 10 Cb 0.01 0.03 0.07 0.00 -0.55 0.00 0.00 41.25 40.81 3dvp s ASN 10 CO 0.33 -0.15 0.62 0.00 -2.79 0.00 0.00 177.10 175.12 3dvp s ALA 11 N -0.95 -1.63 -0.41 1.71 0.00 -1.26 -0.83 121.76 118.39 3dvp s ALA 11 Ca -0.08 0.89 0.06 0.00 0.00 0.00 0.00 51.96 52.83 3dvp s ALA 11 Cb -0.07 0.39 0.22 0.00 0.00 0.00 0.00 23.12 23.66 3dvp s ALA 11 CO -0.00 -0.54 0.45 -3.47 0.00 0.00 0.00 175.76 172.20 3dvp n ASP 12 N 0.35 0.07 -3.51 0.00 2.03 0.13 -4.99 116.55 110.63 3dvp n ASP 12 Ca -0.18 -2.59 -0.08 0.00 0.52 0.00 0.00 54.79 52.45 3dvp n ASP 12 Cb 0.61 -0.61 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 3dvp n ASP 12 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3dvp s MET 13 N -0.72 0.85 0.27 -0.67 0.23 -1.25 -0.66 119.30 117.35 3dvp s MET 13 Ca 0.34 -0.32 -0.31 0.00 -1.03 0.00 0.00 55.69 54.37 3dvp s MET 13 Cb 0.11 0.39 -0.12 0.00 -1.53 0.00 0.00 34.83 33.67 3dvp s MET 13 CO -0.15 -0.37 1.54 -1.13 -2.03 0.00 0.00 175.02 172.88 3dvp n SER 14 N -0.26 3.48 0.18 -1.18 3.41 -1.26 -4.75 113.62 113.25 3dvp n SER 14 Ca -0.09 1.14 0.14 0.00 -0.26 0.00 0.00 58.87 59.80 3dvp n SER 14 Cb 0.62 -1.53 0.45 0.00 -0.26 0.00 0.00 64.21 63.49 3dvp n SER 14 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3dvp h GLU 15 N 4.71 0.00 0.00 4.33 4.57 -2.00 0.21 114.58 126.41 3dvp h GLU 15 Ca -0.46 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 57.51 3dvp h GLU 15 Cb 1.24 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.79 3dvp h GLU 15 CO 0.79 0.00 -1.43 1.49 -1.18 0.00 0.00 179.01 178.68 3dvp h GLU 16 N 0.00 0.00 0.00 1.92 4.81 -2.00 -2.72 114.58 116.59 3dvp h GLU 16 Ca 0.13 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.16 3dvp h GLU 16 Cb 1.64 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.99 3dvp h GLU 16 CO -0.00 0.44 -1.14 1.98 -0.73 0.00 0.00 179.01 179.56 3dvp h MET 17 N 0.00 0.00 0.15 1.92 4.05 -1.06 -3.00 114.93 116.99 3dvp h MET 17 Ca -0.19 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.23 3dvp h MET 17 Cb 1.75 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.55 3dvp h MET 17 CO 0.07 0.70 -0.07 1.96 0.23 0.00 0.00 176.91 179.80 3dvp h GLN 18 N 0.00 -0.20 -0.66 0.39 4.20 -0.88 -0.53 115.11 117.43 3dvp h GLN 18 Ca -0.10 0.01 0.13 0.00 0.06 0.00 0.00 58.65 58.76 3dvp h GLN 18 Cb 1.74 0.04 -0.10 0.00 0.30 0.00 0.00 27.48 29.47 3dvp h GLN 18 CO 0.10 -0.02 0.13 0.37 -0.67 0.00 0.00 178.83 178.73 3dvp h GLN 19 N -0.33 0.24 0.28 1.46 5.75 -1.55 -1.24 115.11 119.72 3dvp h GLN 19 Ca -0.02 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.46 3dvp h GLN 19 Cb 0.26 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 3dvp h GLN 19 CO 0.03 0.16 -0.24 0.22 -2.65 0.00 0.00 178.83 176.36 3dvp h ASP 20 N 0.25 -0.62 -0.91 -0.69 3.58 -1.46 0.10 116.42 116.67 3dvp h ASP 20 Ca 0.36 0.05 0.19 0.00 0.42 0.00 0.00 57.03 58.05 3dvp h ASP 20 Cb 0.57 0.20 -0.17 0.00 1.72 0.00 0.00 39.33 41.65 3dvp h ASP 20 CO -0.46 -0.36 -0.19 0.00 -2.88 0.00 0.00 179.24 175.35 3dvp h ALA 21 N 0.11 0.66 -0.19 -0.78 0.00 -0.72 -0.04 119.26 118.29 3dvp h ALA 21 Ca -0.02 0.35 -0.15 0.00 0.00 0.00 0.00 54.91 55.09 3dvp h ALA 21 Cb 0.48 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3dvp h ALA 21 CO -0.02 -0.41 -0.46 0.28 0.00 0.00 0.00 179.25 178.64 3dvp h VAL 22 N 0.01 1.32 -0.63 0.00 2.07 -0.18 0.15 116.25 119.00 3dvp h VAL 22 Ca 0.45 -1.70 0.07 0.00 0.82 0.00 0.00 66.70 66.34 3dvp h VAL 22 Cb 0.72 1.89 -0.06 0.00 -1.52 0.00 0.00 31.29 32.32 3dvp h VAL 22 CO -0.92 0.53 0.32 0.44 0.02 0.00 0.00 177.57 177.96 3dvp h ASP 23 N 0.34 0.45 -0.21 0.57 3.32 -0.63 0.95 116.42 121.21 3dvp h ASP 23 Ca -0.00 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 3dvp h ASP 23 Cb 1.07 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 3dvp h ASP 23 CO 0.10 0.28 0.11 0.00 -1.72 0.00 0.00 179.24 178.02 3dvp h ALA 25 N 1.00 0.53 -0.26 0.00 0.00 -0.81 0.40 119.26 120.13 3dvp h ALA 25 Ca 0.07 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.08 3dvp h ALA 25 Cb 0.07 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 3dvp h ALA 25 CO -0.01 -0.18 -0.25 1.15 0.00 0.00 0.00 179.25 179.95 3dvp h THR 26 N 0.39 0.37 -0.77 0.00 2.02 -0.73 0.24 112.91 114.42 3dvp h THR 26 Ca 0.19 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.43 3dvp h THR 26 Cb 0.14 0.37 -0.06 0.00 -1.74 0.00 0.00 68.15 66.86 3dvp h THR 26 CO -0.16 0.00 0.46 1.56 0.37 0.00 0.00 175.52 177.75 3dvp h GLN 27 N -0.26 0.84 -0.90 6.66 4.20 -1.17 -2.05 115.11 122.44 3dvp h GLN 27 Ca 0.14 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.84 3dvp h GLN 27 Cb 0.47 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 28.01 3dvp h GLN 27 CO -0.40 0.56 0.58 0.00 -0.67 0.00 0.00 178.83 178.89 3dvp h ALA 28 N 1.36 1.19 0.00 3.87 0.00 0.37 -2.53 119.26 123.53 3dvp h ALA 28 Ca 0.33 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 3dvp h ALA 28 Cb 0.14 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3dvp h ALA 28 CO -0.16 0.41 -0.65 -0.07 0.00 0.00 0.00 179.25 178.78 3dvp h LEU 29 N 1.11 0.00 -1.32 0.00 3.38 -0.63 0.21 115.31 118.05 3dvp h LEU 29 Ca 0.36 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.26 3dvp h LEU 29 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3dvp h LEU 29 CO -0.13 0.65 -0.34 -0.33 0.09 0.00 0.00 178.44 178.38 3dvp h GLU 30 N 0.00 0.00 -0.00 1.13 5.08 -0.97 -3.30 114.58 116.52 3dvp h GLU 30 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3dvp h GLU 30 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3dvp h GLU 30 CO 0.08 0.34 -0.18 0.36 -1.00 0.00 0.00 179.01 178.61 3dvp n LYS 31 N -4.11 3.99 -4.47 2.33 2.85 -1.05 -5.04 118.16 112.66 3dvp n LYS 31 Ca -0.02 -0.20 -0.22 0.00 -1.05 0.00 0.00 58.31 56.81 3dvp n LYS 31 Cb 0.38 -0.83 -0.14 0.00 -0.65 0.00 0.00 35.03 33.80 3dvp n LYS 31 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3dvp s TYR 32 N -1.23 1.47 -0.27 5.58 2.02 0.71 -5.05 117.35 120.57 3dvp s TYR 32 Ca 0.03 -0.36 -0.11 0.00 -0.37 0.00 0.00 57.07 56.26 3dvp s TYR 32 Cb 0.04 -0.88 -0.13 0.00 -0.40 0.00 0.00 41.96 40.59 3dvp s TYR 32 CO 0.17 0.06 -0.32 0.09 -1.57 0.00 0.00 175.55 173.99 3dvp n ASN 33 N 1.87 1.96 -4.65 2.29 3.02 -1.26 -4.53 115.26 113.96 3dvp n ASN 33 Ca -0.18 0.24 -0.43 0.00 -0.03 0.00 0.00 54.58 54.18 3dvp n ASN 33 Cb 0.54 -0.74 -0.02 0.00 -0.61 0.00 0.00 39.78 38.95 3dvp n ASN 33 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3dvp s ILE 34 N -2.51 4.31 0.28 2.41 -1.09 -1.26 -4.97 121.20 118.36 3dvp s ILE 34 Ca -0.38 1.55 -0.03 0.00 -2.23 0.00 0.00 60.65 59.56 3dvp s ILE 34 Cb 0.13 -4.10 0.34 0.00 -1.58 0.00 0.00 42.46 37.25 3dvp s ILE 34 CO 0.52 -0.25 1.61 -0.33 -1.23 0.00 0.00 174.94 175.25 3dvp h GLU 35 N 8.41 0.08 0.00 2.79 5.08 -1.93 0.01 114.58 129.01 3dvp h GLU 35 Ca -0.25 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.05 3dvp h GLU 35 Cb 1.09 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 3dvp h GLU 35 CO 0.99 0.05 -0.24 -1.00 -1.00 0.00 0.00 179.01 177.81 3dvp h PRO 36 N 0.08 0.00 -0.11 2.33 0.13 -1.93 -2.34 132.00 130.16 3dvp h PRO 36 Ca 0.50 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.45 3dvp h PRO 36 Cb 0.97 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.09 3dvp h PRO 36 CO -0.78 0.24 -0.70 -0.44 -0.23 0.00 0.00 178.00 176.09 3dvp h ASP 37 N 0.00 0.56 -0.09 1.44 3.32 -1.42 -2.72 116.42 117.52 3dvp h ASP 37 Ca -0.00 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.68 3dvp h ASP 37 Cb 0.70 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 3dvp h ASP 37 CO 0.03 1.10 0.01 0.40 -1.72 0.00 0.00 179.24 179.05 3dvp h ILE 38 N 0.33 1.23 -0.60 0.35 2.04 -1.26 -2.56 117.51 117.06 3dvp h ILE 38 Ca -0.03 -0.73 0.03 0.00 1.00 0.00 0.00 64.86 65.13 3dvp h ILE 38 Cb 1.28 1.56 -0.04 0.00 -0.74 0.00 0.00 36.82 38.87 3dvp h ILE 38 CO 0.13 0.21 0.36 0.00 0.00 0.00 0.00 178.15 178.84 3dvp h ALA 39 N 0.76 0.77 -0.30 1.87 0.00 -1.47 -2.70 119.26 118.19 3dvp h ALA 39 Ca 0.03 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 3dvp h ALA 39 Cb 0.31 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3dvp h ALA 39 CO 0.00 0.10 -0.54 0.00 0.00 0.00 0.00 179.25 178.81 3dvp h ALA 40 N 1.26 0.46 0.53 0.00 0.00 -1.50 -0.26 119.26 119.75 3dvp h ALA 40 Ca 0.24 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3dvp h ALA 40 Cb 0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3dvp h ALA 40 CO -0.10 0.68 -0.50 -0.92 0.00 0.00 0.00 179.25 178.41 3dvp h TYR 41 N 0.68 -1.37 -0.20 0.00 3.20 -1.29 -1.19 116.97 116.80 3dvp h TYR 41 Ca 0.02 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.95 3dvp h TYR 41 Cb 1.15 0.53 -0.07 0.00 1.54 0.00 0.00 36.73 39.88 3dvp h TYR 41 CO 0.07 -0.67 -0.26 0.82 -1.64 0.00 0.00 178.16 176.48 3dvp h ILE 42 N -1.02 0.36 -0.43 1.81 2.04 -1.45 -2.28 117.51 116.55 3dvp h ILE 42 Ca -0.06 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.88 3dvp h ILE 42 Cb 0.88 0.36 -0.09 0.00 -0.74 0.00 0.00 36.82 37.23 3dvp h ILE 42 CO -0.05 0.00 -0.20 0.50 0.00 0.00 0.00 178.15 178.41 3dvp h LYS 43 N -0.29 -0.11 -0.01 2.37 3.11 -1.05 -1.05 116.57 119.53 3dvp h LYS 43 Ca 0.12 0.01 -0.07 0.00 -2.81 0.00 0.00 60.65 57.90 3dvp h LYS 43 Cb 0.48 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.73 3dvp h LYS 43 CO -0.37 -0.07 -0.32 0.87 -2.81 0.00 0.00 179.45 176.75 3dvp h LYS 44 N -0.11 0.02 -0.26 1.90 1.57 -1.12 -1.45 116.57 117.13 3dvp h LYS 44 Ca 0.21 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.89 3dvp h LYS 44 Cb 0.43 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 3dvp h LYS 44 CO -0.50 0.34 -0.20 0.93 -0.57 0.00 0.00 179.45 179.45 3dvp h GLU 45 N 0.02 0.60 -0.46 3.15 4.39 -0.99 -1.97 114.58 119.33 3dvp h GLU 45 Ca 0.00 -0.29 -0.14 0.00 0.34 0.00 0.00 59.36 59.27 3dvp h GLU 45 Cb 0.57 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 3dvp h GLU 45 CO 0.04 0.88 -0.24 0.74 -1.16 0.00 0.00 179.01 179.27 3dvp h PHE 46 N 0.32 1.13 -0.53 4.33 -1.00 -0.97 0.19 116.94 120.42 3dvp h PHE 46 Ca 0.05 -0.29 0.11 0.00 2.81 0.00 0.00 57.97 60.65 3dvp h PHE 46 Cb 0.74 -0.26 -0.10 0.00 3.61 0.00 0.00 35.95 39.95 3dvp h PHE 46 CO 0.07 1.11 -0.07 -0.44 -1.61 0.00 0.00 178.31 177.37 3dvp h ASP 47 N 0.82 -0.37 0.04 2.17 3.32 -1.31 0.72 116.42 121.82 3dvp h ASP 47 Ca 0.10 0.15 0.03 0.00 0.02 0.00 0.00 57.03 57.32 3dvp h ASP 47 Cb 0.83 0.28 -0.04 0.00 0.22 0.00 0.00 39.33 40.62 3dvp h ASP 47 CO 0.07 -0.14 -0.29 0.11 -1.72 0.00 0.00 179.24 177.27 3dvp h LYS 48 N 0.05 -0.45 0.07 3.56 1.57 -1.00 -1.08 116.57 119.29 3dvp h LYS 48 Ca 0.26 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3dvp h LYS 48 Cb 0.41 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3dvp h LYS 48 CO -0.50 -0.30 -0.03 -0.22 -0.57 0.00 0.00 179.45 177.83 3dvp h LYS 49 N -0.46 -0.09 -0.28 3.15 3.64 -0.23 -3.37 116.57 118.92 3dvp h LYS 49 Ca 0.05 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 3dvp h LYS 49 Cb 0.53 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.32 3dvp h LYS 49 CO -0.22 0.49 -0.03 0.66 -2.27 0.00 0.00 179.45 178.08 3dvp n TYR 50 N -4.80 0.94 -1.52 1.91 4.02 0.25 -5.08 117.16 112.88 3dvp n TYR 50 Ca -0.08 -1.22 0.09 0.00 -0.01 0.00 0.00 57.90 56.68 3dvp n TYR 50 Cb 0.31 -0.39 -0.05 0.00 -0.02 0.00 0.00 39.34 39.19 3dvp n TYR 50 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3dvp n ASN 51 N -0.87 -8.22 -4.74 7.72 3.02 -0.41 -4.87 115.26 106.90 3dvp n ASN 51 Ca 0.27 1.69 -0.30 0.00 -0.03 0.00 0.00 54.58 56.20 3dvp n ASN 51 Cb 0.94 -5.08 0.12 0.00 -0.61 0.00 0.00 39.78 35.15 3dvp n ASN 51 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 3dvp s PRO 52 N -4.89 1.66 -0.16 3.52 0.02 -1.24 -4.33 135.00 129.60 3dvp s PRO 52 Ca 0.00 0.99 0.01 0.00 0.02 0.00 0.00 61.00 62.02 3dvp s PRO 52 Cb 0.00 -1.84 0.02 0.00 0.02 0.00 0.00 34.50 32.69 3dvp s PRO 52 CO 0.00 -2.01 -0.19 0.99 -0.33 0.00 0.00 177.00 175.46 3dvp s THR 53 N -2.91 1.95 0.29 0.99 2.01 -1.25 -4.99 115.64 111.73 3dvp s THR 53 Ca 0.63 -0.89 0.04 0.00 0.31 0.00 0.00 61.69 61.78 3dvp s THR 53 Cb -0.18 -1.75 -0.03 0.00 0.01 0.00 0.00 72.50 70.56 3dvp s THR 53 CO 0.57 0.52 0.44 0.26 -0.69 0.00 0.00 174.62 175.72 3dvp s TRP 54 N 1.13 3.39 -0.00 4.92 0.52 -1.26 -0.93 118.94 126.70 3dvp s TRP 54 Ca -0.00 0.04 0.00 0.00 0.02 0.00 0.00 56.10 56.16 3dvp s TRP 54 Cb -0.14 -1.76 0.00 0.00 -1.15 0.00 0.00 33.47 30.43 3dvp s TRP 54 CO -0.08 0.25 -0.01 -1.01 0.02 0.00 0.00 176.95 176.12 3dvp s HIS 55 N -2.12 0.10 -0.04 -1.98 3.76 -0.12 -4.95 115.29 109.93 3dvp s HIS 55 Ca 0.38 -0.01 0.01 0.00 -0.15 0.00 0.00 55.06 55.29 3dvp s HIS 55 Cb -0.09 -0.08 0.02 0.00 1.11 0.00 0.00 32.58 33.54 3dvp s HIS 55 CO 0.31 -0.01 -0.02 0.00 -0.85 0.00 0.00 174.74 174.17 3dvp s ILE 57 N 1.00 3.70 -0.18 0.00 1.09 -0.06 -4.82 121.20 121.94 3dvp s ILE 57 Ca -0.10 -0.42 0.01 0.00 -1.10 0.00 0.00 60.65 59.04 3dvp s ILE 57 Cb -0.14 -2.62 0.02 0.00 -1.06 0.00 0.00 42.46 38.66 3dvp s ILE 57 CO -0.01 0.49 -0.19 -0.69 -0.10 0.00 0.00 174.94 174.44 3dvp s VAL 58 N 0.46 2.18 0.03 2.92 1.01 -1.26 -1.43 120.40 124.30 3dvp s VAL 58 Ca -0.05 -0.91 -0.27 0.00 0.00 0.00 0.00 61.98 60.76 3dvp s VAL 58 Cb -0.15 -1.91 0.09 0.00 0.00 0.00 0.00 36.38 34.41 3dvp s VAL 58 CO 0.03 0.53 0.79 -0.83 0.00 0.00 0.00 175.10 175.62 3dvp s GLY 59 N 1.24 -0.51 -0.11 4.51 0.00 -0.85 -4.76 107.32 106.83 3dvp s GLY 59 Ca 0.04 0.98 0.16 0.00 0.00 0.00 0.00 44.72 45.90 3dvp s GLY 59 CO -0.11 0.42 0.19 0.54 0.00 0.00 0.00 173.10 174.14 3dvp n ARG 60 N -0.06 0.96 -3.42 2.90 1.74 -1.26 -0.68 116.66 116.83 3dvp n ARG 60 Ca -0.13 -0.07 -0.22 0.00 -0.77 0.00 0.00 57.85 56.66 3dvp n ARG 60 Cb 0.62 -1.44 -0.10 0.00 -1.02 0.00 0.00 32.46 30.52 3dvp n ARG 60 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3dvp s ASN 61 N -4.73 2.10 0.19 0.55 3.84 -1.26 -4.91 114.94 110.72 3dvp s ASN 61 Ca -0.08 -1.63 -0.09 0.00 0.21 0.00 0.00 52.86 51.27 3dvp s ASN 61 Cb 0.08 0.13 -0.01 0.00 -0.55 0.00 0.00 41.25 40.90 3dvp s ASN 61 CO 0.73 -0.31 0.31 0.72 -2.79 0.00 0.00 177.10 175.75 3dvp s PHE 62 N 1.52 0.47 0.31 0.43 -0.12 -1.26 -5.17 117.98 114.17 3dvp s PHE 62 Ca 0.15 -0.82 0.03 0.00 -0.05 0.00 0.00 56.93 56.25 3dvp s PHE 62 Cb -0.18 -0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.12 3dvp s PHE 62 CO -0.10 -0.77 0.14 0.20 -0.05 0.00 0.00 175.22 174.64 3dvp s GLY 63 N -3.00 2.09 0.01 1.99 0.00 -1.26 -5.15 107.32 102.00 3dvp s GLY 63 Ca 0.21 -1.73 -0.28 0.00 0.00 0.00 0.00 44.72 42.92 3dvp s GLY 63 CO 0.03 -1.64 0.77 -1.35 0.00 0.00 0.00 173.10 170.92 3dvp s SER 64 N -3.41 -0.50 -0.26 1.64 1.04 -1.26 -5.12 113.70 105.84 3dvp s SER 64 Ca 0.34 0.24 -0.01 0.00 0.48 0.00 0.00 55.95 57.00 3dvp s SER 64 Cb 0.05 0.47 0.08 0.00 0.10 0.00 0.00 66.02 66.73 3dvp s SER 64 CO 0.17 -0.68 0.05 -0.47 0.98 0.00 0.00 173.24 173.29 3dvp s TYR 65 N -2.51 1.62 0.30 5.02 5.04 -1.26 -5.14 117.35 120.42 3dvp s TYR 65 Ca -0.01 -1.47 0.05 0.00 -2.44 0.00 0.00 57.07 53.20 3dvp s TYR 65 Cb -0.01 -1.48 -0.06 0.00 0.35 0.00 0.00 41.96 40.76 3dvp s TYR 65 CO -0.04 -0.77 -0.01 0.14 -1.34 0.00 0.00 175.55 173.53 3dvp s VAL 66 N 1.65 1.45 -0.09 3.14 -7.23 -1.26 -5.15 120.40 112.91 3dvp s VAL 66 Ca 0.04 -2.07 0.01 0.00 -1.81 0.00 0.00 61.98 58.15 3dvp s VAL 66 Cb -0.17 -2.59 -0.02 0.00 0.56 0.00 0.00 36.38 34.15 3dvp s VAL 66 CO -0.16 -0.19 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.44 3dvp s THR 67 N -3.13 3.34 0.04 5.32 2.01 -1.26 -5.13 115.64 116.83 3dvp s THR 67 Ca 0.32 -0.60 -0.03 0.00 0.31 0.00 0.00 61.69 61.70 3dvp s THR 67 Cb 0.06 -2.37 -0.02 0.00 0.01 0.00 0.00 72.50 70.18 3dvp s THR 67 CO 0.13 0.56 0.03 -1.38 -0.69 0.00 0.00 174.62 173.27 3dvp s HIS 68 N -0.32 0.33 0.32 4.92 -3.43 -1.26 -4.62 115.29 111.24 3dvp s HIS 68 Ca 0.04 -0.73 -0.29 0.00 -0.80 0.00 0.00 55.06 53.28 3dvp s HIS 68 Cb -0.13 -0.24 -0.12 0.00 -1.43 0.00 0.00 32.58 30.66 3dvp s HIS 68 CO 0.02 -0.34 1.45 -1.91 -2.00 0.00 0.00 174.74 171.97 3dvp n GLU 69 N 0.66 2.44 -1.54 -0.38 2.13 -0.34 -4.90 120.64 118.70 3dvp n GLU 69 Ca -0.18 0.86 -0.40 0.00 0.66 0.00 0.00 57.16 58.10 3dvp n GLU 69 Cb 0.59 -2.55 0.02 0.00 0.27 0.00 0.00 31.44 29.77 3dvp n GLU 69 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 3dvp n THR 70 N 1.10 2.46 -1.19 6.31 5.66 -1.26 -2.23 114.28 125.13 3dvp n THR 70 Ca 0.06 -0.50 -0.07 0.00 -3.05 0.00 0.00 64.05 60.49 3dvp n THR 70 Cb 0.36 -0.91 -0.03 0.00 -1.55 0.00 0.00 70.33 68.20 3dvp n THR 70 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3dvp n ARG 71 N 0.01 -1.29 -3.17 1.09 5.12 -1.21 -4.90 116.66 112.31 3dvp n ARG 71 Ca 0.11 0.66 -0.20 0.00 -1.93 0.00 0.00 57.85 56.48 3dvp n ARG 71 Cb 0.42 -4.77 -0.04 0.00 -1.16 0.00 0.00 32.46 26.91 3dvp n ARG 71 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3dvp n HIS 72 N -2.39 0.53 -3.69 -1.55 8.25 0.17 -4.11 115.22 112.43 3dvp n HIS 72 Ca -0.07 -3.79 -0.14 0.00 -0.26 0.00 0.00 57.72 53.47 3dvp n HIS 72 Cb 0.42 -0.42 -0.09 0.00 1.12 0.00 0.00 29.99 31.03 3dvp n HIS 72 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3dvp s PHE 73 N -2.26 -0.59 -0.12 4.41 2.19 -0.89 -1.86 117.98 118.86 3dvp s PHE 73 Ca 0.40 1.43 -0.11 0.00 0.33 0.00 0.00 56.93 58.98 3dvp s PHE 73 Cb 0.30 0.20 0.03 0.00 -1.31 0.00 0.00 43.02 42.24 3dvp s PHE 73 CO -0.09 -0.29 0.31 -1.50 1.83 0.00 0.00 175.22 175.48 3dvp s ILE 74 N 0.24 0.00 -0.04 3.12 2.07 -0.23 0.18 121.20 126.54 3dvp s ILE 74 Ca -0.00 -0.01 0.01 0.00 -1.41 0.00 0.00 60.65 59.24 3dvp s ILE 74 Cb -0.04 -0.44 0.02 0.00 0.13 0.00 0.00 42.46 42.13 3dvp s ILE 74 CO 0.01 -0.00 -0.04 -0.47 -1.91 0.00 0.00 174.94 172.52 3dvp s TYR 75 N 0.14 0.68 0.25 3.50 5.04 -0.01 -0.81 117.35 126.14 3dvp s TYR 75 Ca -0.00 -0.17 -0.18 0.00 -2.44 0.00 0.00 57.07 54.27 3dvp s TYR 75 Cb -0.02 -0.60 0.02 0.00 0.35 0.00 0.00 41.96 41.71 3dvp s TYR 75 CO 0.00 -0.16 0.62 -0.59 -1.34 0.00 0.00 175.55 174.08 3dvp s PHE 76 N 0.76 -0.07 -0.08 4.97 -0.71 -0.37 -2.56 117.98 119.93 3dvp s PHE 76 Ca -0.10 -0.33 0.03 0.00 -1.04 0.00 0.00 56.93 55.50 3dvp s PHE 76 Cb -0.13 0.51 -0.02 0.00 -1.21 0.00 0.00 43.02 42.18 3dvp s PHE 76 CO 0.00 -1.09 -0.18 0.71 -1.34 0.00 0.00 175.22 173.32 3dvp s TYR 77 N -3.92 2.64 -0.03 3.49 2.02 -0.70 0.97 117.35 121.82 3dvp s TYR 77 Ca 0.13 -0.49 0.00 0.00 -0.37 0.00 0.00 57.07 56.34 3dvp s TYR 77 Cb -0.03 -1.68 0.02 0.00 -0.40 0.00 0.00 41.96 39.87 3dvp s TYR 77 CO 0.04 -0.07 -0.00 -1.17 -1.57 0.00 0.00 175.55 172.78 3dvp s LEU 78 N -0.23 1.26 0.00 -1.29 2.96 0.59 -2.03 118.68 119.94 3dvp s LEU 78 Ca -0.00 -0.03 0.00 0.00 -0.22 0.00 0.00 54.13 53.88 3dvp s LEU 78 Cb -0.13 -0.21 0.00 0.00 0.50 0.00 0.00 46.19 46.35 3dvp s LEU 78 CO 0.03 -0.09 0.00 0.61 -1.32 0.00 0.00 176.35 175.58 3dvp n GLY 79 N 4.01 1.82 1.72 7.98 0.00 -1.26 -1.79 105.19 117.66 3dvp n GLY 79 Ca -0.26 -0.62 0.02 0.00 0.00 0.00 0.00 46.02 45.17 3dvp n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dvp n GLN 80 N 12.73 3.95 -4.32 1.61 10.64 -1.26 -4.98 117.38 135.75 3dvp n GLN 80 Ca 0.00 -3.09 -0.17 0.00 -1.83 0.00 0.00 57.00 51.92 3dvp n GLN 80 Cb 0.00 -2.15 -0.10 0.00 -0.86 0.00 0.00 30.24 27.13 3dvp n GLN 80 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 3dvp s VAL 81 N -2.90 1.43 -0.15 -0.39 0.11 -0.74 -4.69 120.40 113.07 3dvp s VAL 81 Ca 0.52 -2.12 -0.04 0.00 -2.93 0.00 0.00 61.98 57.41 3dvp s VAL 81 Cb 0.41 -2.06 -0.03 0.00 -1.53 0.00 0.00 36.38 33.18 3dvp s VAL 81 CO 0.13 -0.58 -0.02 0.00 -3.33 0.00 0.00 175.10 171.29 3dvp s ALA 82 N -3.17 3.07 -0.10 1.54 0.00 0.14 -0.30 121.76 122.94 3dvp s ALA 82 Ca 0.22 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.38 3dvp s ALA 82 Cb 0.02 -1.58 -0.02 0.00 0.00 0.00 0.00 23.12 21.54 3dvp s ALA 82 CO 0.05 0.25 -0.14 0.42 0.00 0.00 0.00 175.76 176.35 3dvp s ILE 83 N 0.22 3.00 -0.17 0.00 1.09 0.27 -2.02 121.20 123.59 3dvp s ILE 83 Ca -0.01 -0.70 0.01 0.00 -1.10 0.00 0.00 60.65 58.84 3dvp s ILE 83 Cb -0.14 -2.22 0.02 0.00 -1.06 0.00 0.00 42.46 39.06 3dvp s ILE 83 CO 0.03 0.55 -0.19 -0.22 -0.10 0.00 0.00 174.94 175.00 3dvp s LEU 84 N -0.00 2.06 -0.07 2.97 2.96 -0.51 -1.23 118.68 124.85 3dvp s LEU 84 Ca -0.04 -0.62 0.02 0.00 -0.22 0.00 0.00 54.13 53.26 3dvp s LEU 84 Cb -0.14 -1.43 0.02 0.00 0.50 0.00 0.00 46.19 45.13 3dvp s LEU 84 CO 0.04 -0.01 -0.11 -0.22 -1.32 0.00 0.00 176.35 174.73 3dvp s LEU 85 N 1.31 1.56 0.15 -0.68 2.96 0.01 -0.88 118.68 123.11 3dvp s LEU 85 Ca 0.05 -0.29 -0.24 0.00 -0.22 0.00 0.00 54.13 53.43 3dvp s LEU 85 Cb -0.13 -0.81 0.07 0.00 0.50 0.00 0.00 46.19 45.82 3dvp s LEU 85 CO -0.12 0.01 0.68 0.72 -1.32 0.00 0.00 176.35 176.31 3dvp s PHE 86 N 0.83 -0.44 -0.02 5.38 -0.71 -0.56 -1.07 117.98 121.40 3dvp s PHE 86 Ca -0.11 0.20 0.08 0.00 -1.04 0.00 0.00 56.93 56.06 3dvp s PHE 86 Cb -0.15 0.58 -0.02 0.00 -1.21 0.00 0.00 43.02 42.22 3dvp s PHE 86 CO 0.02 -0.85 -0.26 0.21 -1.34 0.00 0.00 175.22 172.99 3dvp s LYS 87 N -3.65 2.11 -0.30 1.99 2.20 -0.78 -0.95 119.74 120.36 3dvp s LYS 87 Ca 0.04 -0.93 -0.14 0.00 -0.36 0.00 0.00 55.97 54.58 3dvp s LYS 87 Cb -0.02 -2.04 0.16 0.00 -1.51 0.00 0.00 37.83 34.42 3dvp s LYS 87 CO -0.09 0.56 0.94 0.45 -0.36 0.00 0.00 175.35 176.86 3dvp s SER 88 N -0.63 -0.66 0.00 1.43 0.15 -0.11 -1.20 113.70 112.68 3dvp s SER 88 Ca 0.10 0.82 0.00 0.00 0.70 0.00 0.00 55.95 57.57 3dvp s SER 88 Cb -0.10 1.72 0.00 0.00 -1.71 0.00 0.00 66.02 65.93 3dvp s SER 88 CO -0.01 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.92