#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 -0.30 7.82 0.00 -1.26 -4.17 121.76 127.30 3dvp s ALA 6 Ca 0.00 1.06 0.02 0.00 0.00 0.00 0.00 51.96 53.04 3dvp s ALA 6 Cb 0.00 -3.41 0.08 0.00 0.00 0.00 0.00 23.12 19.80 3dvp s ALA 6 CO 0.00 -0.40 0.01 0.08 0.00 0.00 0.00 175.76 175.45 3dvp s VAL 7 N -0.94 1.85 -0.34 0.00 1.01 0.25 -4.97 120.40 117.27 3dvp s VAL 7 Ca 0.48 -1.81 -0.29 0.00 0.00 0.00 0.00 61.98 60.36 3dvp s VAL 7 Cb -0.35 -2.24 0.01 0.00 0.00 0.00 0.00 36.38 33.79 3dvp s VAL 7 CO 0.45 -0.41 1.26 -0.63 0.00 0.00 0.00 175.10 175.78 3dvp s ILE 8 N 1.17 4.17 -0.06 2.22 1.09 -1.26 -0.58 121.20 127.95 3dvp s ILE 8 Ca 0.04 1.30 -0.14 0.00 -1.10 0.00 0.00 60.65 60.75 3dvp s ILE 8 Cb -0.19 -4.25 -0.09 0.00 -1.06 0.00 0.00 42.46 36.88 3dvp s ILE 8 CO -0.10 -0.57 0.55 0.11 -0.10 0.00 0.00 174.94 174.83 3dvp h LYS 9 N 9.29 -0.33 -3.81 2.79 1.79 -1.66 -3.48 116.57 121.15 3dvp h LYS 9 Ca -0.25 0.02 -0.15 0.00 -2.18 0.00 0.00 60.65 58.09 3dvp h LYS 9 Cb 1.09 0.07 -0.20 0.00 -1.58 0.00 0.00 32.23 31.62 3dvp h LYS 9 CO 1.05 -0.11 -0.59 1.21 -1.08 0.00 0.00 179.45 179.93 3dvp s ASN 10 N -5.22 0.18 -0.16 0.86 3.84 -1.13 -5.06 114.94 108.25 3dvp s ASN 10 Ca -0.08 -0.46 -0.30 0.00 0.21 0.00 0.00 52.86 52.24 3dvp s ASN 10 Cb 0.00 0.17 0.13 0.00 -0.55 0.00 0.00 41.25 41.00 3dvp s ASN 10 CO 0.25 -0.39 1.00 0.00 -2.79 0.00 0.00 177.10 175.17 3dvp s ALA 11 N -1.89 -1.93 -0.39 1.71 0.00 -1.26 -1.36 121.76 116.64 3dvp s ALA 11 Ca -0.11 1.58 0.02 0.00 0.00 0.00 0.00 51.96 53.45 3dvp s ALA 11 Cb -0.06 -0.70 0.15 0.00 0.00 0.00 0.00 23.12 22.52 3dvp s ALA 11 CO -0.02 -0.32 0.27 0.34 0.00 0.00 0.00 175.76 176.04 3dvp s ASP 12 N -1.13 2.39 -0.30 0.00 2.15 -0.68 -5.00 116.67 114.10 3dvp s ASP 12 Ca -0.02 -2.62 -0.16 0.00 0.43 0.00 0.00 52.55 50.18 3dvp s ASP 12 Cb -0.00 -0.48 0.19 0.00 -0.30 0.00 0.00 42.92 42.33 3dvp s ASP 12 CO 0.01 -0.24 1.18 -0.32 -0.17 0.00 0.00 175.17 175.63 3dvp s MET 13 N 0.54 0.14 0.18 4.34 1.75 -1.24 -0.77 119.30 124.24 3dvp s MET 13 Ca 0.24 0.25 -0.29 0.00 -1.25 0.00 0.00 55.69 54.64 3dvp s MET 13 Cb -0.11 0.04 -0.17 0.00 2.84 0.00 0.00 34.83 37.42 3dvp s MET 13 CO -0.08 -0.03 0.61 -1.13 -0.65 0.00 0.00 175.02 173.74 3dvp n SER 14 N 3.34 -0.96 -0.01 1.11 3.41 -1.26 -4.54 113.62 114.72 3dvp n SER 14 Ca -0.17 1.14 0.23 0.00 -0.26 0.00 0.00 58.87 59.81 3dvp n SER 14 Cb 0.56 -0.97 0.67 0.00 -0.26 0.00 0.00 64.21 64.22 3dvp n SER 14 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3dvp h GLU 15 N 1.30 0.00 0.01 4.33 4.39 -2.00 0.12 114.58 122.74 3dvp h GLU 15 Ca -0.31 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.05 3dvp h GLU 15 Cb 1.43 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 30.03 3dvp h GLU 15 CO 0.58 0.00 -2.03 -0.85 -1.16 0.00 0.00 179.01 175.55 3dvp n GLU 16 N -3.59 0.67 -0.18 2.33 0.28 -1.26 -2.49 120.64 116.39 3dvp n GLU 16 Ca 0.12 0.18 -0.05 0.00 -0.16 0.00 0.00 57.16 57.25 3dvp n GLU 16 Cb 0.89 -1.67 0.12 0.00 1.43 0.00 0.00 31.44 32.21 3dvp n GLU 16 CO 0.00 0.00 0.00 1.98 -0.16 0.00 0.00 177.13 178.95 3dvp h MET 17 N 0.01 0.95 0.20 3.44 4.05 -1.69 -1.81 114.93 120.07 3dvp h MET 17 Ca -0.41 -0.23 0.00 0.00 -0.28 0.00 0.00 59.70 58.78 3dvp h MET 17 Cb 2.09 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 32.75 3dvp h MET 17 CO 0.05 0.88 -0.19 1.96 0.23 0.00 0.00 176.91 179.83 3dvp h GLN 18 N 0.90 -0.40 -0.80 0.39 4.20 -0.89 0.09 115.11 118.59 3dvp h GLN 18 Ca 0.19 0.03 0.14 0.00 0.06 0.00 0.00 58.65 59.07 3dvp h GLN 18 Cb 0.38 0.09 -0.09 0.00 0.30 0.00 0.00 27.48 28.16 3dvp h GLN 18 CO 0.01 -0.27 0.37 0.37 -0.67 0.00 0.00 178.83 178.64 3dvp h GLN 19 N -0.42 0.52 -0.21 1.46 5.75 -1.40 -1.21 115.11 119.59 3dvp h GLN 19 Ca 0.00 -0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.52 3dvp h GLN 19 Cb 0.39 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 28.78 3dvp h GLN 19 CO -0.05 0.34 -0.09 0.22 -2.65 0.00 0.00 178.83 176.61 3dvp h ASP 20 N 0.54 -0.30 -0.46 -0.69 3.58 -0.90 0.91 116.42 119.11 3dvp h ASP 20 Ca 0.44 0.08 0.09 0.00 0.42 0.00 0.00 57.03 58.06 3dvp h ASP 20 Cb 0.64 0.17 -0.10 0.00 1.72 0.00 0.00 39.33 41.76 3dvp h ASP 20 CO -0.38 -0.11 -0.27 0.00 -2.88 0.00 0.00 179.24 175.60 3dvp h ALA 21 N 1.14 -0.01 -0.56 -0.78 0.00 -0.18 -0.37 119.26 118.50 3dvp h ALA 21 Ca 0.11 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 3dvp h ALA 21 Cb 0.22 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3dvp h ALA 21 CO -0.25 -0.64 0.08 0.28 0.00 0.00 0.00 179.25 178.72 3dvp h VAL 22 N -0.18 1.26 0.19 0.00 2.07 -0.88 -0.83 116.25 117.89 3dvp h VAL 22 Ca 0.21 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.74 3dvp h VAL 22 Cb 0.50 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3dvp h VAL 22 CO -0.56 0.36 -0.34 0.44 0.02 0.00 0.00 177.57 177.50 3dvp h ASP 23 N 0.84 -0.96 -0.87 0.57 3.32 -0.57 0.11 116.42 118.85 3dvp h ASP 23 Ca 0.17 0.10 0.23 0.00 0.02 0.00 0.00 57.03 57.55 3dvp h ASP 23 Cb 0.43 0.35 -0.13 0.00 0.22 0.00 0.00 39.33 40.20 3dvp h ASP 23 CO 0.01 -0.44 0.29 0.00 -1.72 0.00 0.00 179.24 177.38 3dvp h ALA 25 N 1.74 0.71 -0.25 0.00 0.00 -0.93 -0.52 119.26 120.01 3dvp h ALA 25 Ca 0.55 -0.65 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 3dvp h ALA 25 Cb 1.08 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3dvp h ALA 25 CO -0.60 0.89 -0.21 1.15 0.00 0.00 0.00 179.25 180.48 3dvp h THR 26 N 0.00 1.31 0.03 0.00 2.02 -0.31 -2.66 112.91 113.30 3dvp h THR 26 Ca -0.01 -1.35 0.02 0.00 0.77 0.00 0.00 66.41 65.84 3dvp h THR 26 Cb 1.35 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 69.37 3dvp h THR 26 CO 0.09 0.42 -0.12 1.56 0.37 0.00 0.00 175.52 177.84 3dvp h GLN 27 N 0.30 -0.21 -0.68 6.66 4.20 -1.20 -2.22 115.11 121.96 3dvp h GLN 27 Ca 0.05 0.01 0.14 0.00 0.06 0.00 0.00 58.65 58.91 3dvp h GLN 27 Cb 0.75 0.05 -0.10 0.00 0.30 0.00 0.00 27.48 28.48 3dvp h GLN 27 CO 0.05 -0.14 0.12 0.00 -0.67 0.00 0.00 178.83 178.19 3dvp h ALA 28 N 0.72 0.82 0.00 3.87 0.00 -1.10 -1.82 119.26 121.75 3dvp h ALA 28 Ca 0.04 0.17 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 3dvp h ALA 28 Cb 0.26 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3dvp h ALA 28 CO -0.10 -0.35 -0.52 -0.07 0.00 0.00 0.00 179.25 178.21 3dvp h LEU 29 N 0.23 0.00 -1.61 0.00 3.38 -1.35 0.66 115.31 116.62 3dvp h LEU 29 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 3dvp h LEU 29 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3dvp h LEU 29 CO -0.50 0.52 0.00 -0.33 0.09 0.00 0.00 178.44 178.22 3dvp h GLU 30 N 0.00 0.00 0.00 1.13 5.08 -0.70 -3.35 114.58 116.74 3dvp h GLU 30 Ca -0.01 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 3dvp h GLU 30 Cb 1.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 3dvp h GLU 30 CO 0.07 0.00 -1.23 1.17 -1.00 0.00 0.00 179.01 178.02 3dvp n LYS 31 N -2.91 2.53 -4.93 2.33 4.81 -0.73 -5.03 118.16 114.23 3dvp n LYS 31 Ca 0.00 0.01 -0.26 0.00 -0.87 0.00 0.00 58.31 57.19 3dvp n LYS 31 Cb 0.24 -1.08 -0.16 0.00 0.02 0.00 0.00 35.03 34.05 3dvp n LYS 31 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3dvp s TYR 32 N -2.08 1.72 -0.17 5.64 2.02 0.22 -5.06 117.35 119.64 3dvp s TYR 32 Ca -0.03 -0.34 -0.16 0.00 -0.37 0.00 0.00 57.07 56.18 3dvp s TYR 32 Cb 0.01 -1.11 -0.22 0.00 -0.40 0.00 0.00 41.96 40.24 3dvp s TYR 32 CO 0.12 -0.04 0.27 0.09 -1.57 0.00 0.00 175.55 174.43 3dvp n ASN 33 N 2.65 1.97 -4.77 2.29 4.13 -1.26 -4.46 115.26 115.81 3dvp n ASN 33 Ca -0.15 0.34 -0.36 0.00 1.68 0.00 0.00 54.58 56.09 3dvp n ASN 33 Cb 0.53 -0.93 -0.08 0.00 -1.54 0.00 0.00 39.78 37.77 3dvp n ASN 33 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3dvp s ILE 34 N -2.44 5.04 0.22 2.41 -4.36 -1.26 -5.00 121.20 115.81 3dvp s ILE 34 Ca -0.26 0.04 -0.18 0.00 -0.26 0.00 0.00 60.65 59.98 3dvp s ILE 34 Cb 0.06 -3.20 0.22 0.00 1.25 0.00 0.00 42.46 40.79 3dvp s ILE 34 CO 0.66 0.58 1.53 -0.62 0.24 0.00 0.00 174.94 177.34 3dvp n GLU 35 N 2.38 -0.25 -0.18 0.37 4.71 -1.26 -1.87 120.64 124.54 3dvp n GLU 35 Ca -0.19 1.52 0.05 0.00 -0.01 0.00 0.00 57.16 58.54 3dvp n GLU 35 Cb 0.54 -2.26 0.34 0.00 -1.01 0.00 0.00 31.44 29.05 3dvp n GLU 35 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 3dvp h PRO 36 N 0.00 0.77 -0.48 3.49 0.11 -1.95 -1.79 132.00 132.14 3dvp h PRO 36 Ca 0.33 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.27 3dvp h PRO 36 Cb 0.58 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 3dvp h PRO 36 CO -0.98 0.51 -0.17 -0.44 -0.21 0.00 0.00 178.00 176.71 3dvp h ASP 37 N 0.79 0.98 -0.45 -2.05 3.32 -1.79 -2.45 116.42 114.77 3dvp h ASP 37 Ca 0.30 -0.38 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 3dvp h ASP 37 Cb 0.17 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3dvp h ASP 37 CO -0.09 1.14 0.20 0.40 -1.72 0.00 0.00 179.24 179.17 3dvp h ILE 38 N 0.81 1.19 -0.19 0.35 2.04 -1.25 -2.70 117.51 117.76 3dvp h ILE 38 Ca 0.11 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.38 3dvp h ILE 38 Cb 0.74 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 3dvp h ILE 38 CO 0.06 0.21 -0.03 0.00 0.00 0.00 0.00 178.15 178.39 3dvp h ALA 39 N 1.05 0.26 0.00 1.87 0.00 -1.34 -2.19 119.26 118.90 3dvp h ALA 39 Ca 0.15 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3dvp h ALA 39 Cb 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3dvp h ALA 39 CO -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 179.25 179.01 3dvp h ALA 40 N 0.75 1.27 0.03 0.00 0.00 -1.47 -0.13 119.26 119.71 3dvp h ALA 40 Ca 0.05 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3dvp h ALA 40 Cb 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3dvp h ALA 40 CO 0.01 0.28 -0.01 -0.92 0.00 0.00 0.00 179.25 178.61 3dvp h TYR 41 N 0.00 -0.03 -0.40 0.00 3.20 -1.23 -2.94 116.97 115.57 3dvp h TYR 41 Ca -0.00 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.94 3dvp h TYR 41 Cb 0.52 0.01 -0.09 0.00 1.54 0.00 0.00 36.73 38.71 3dvp h TYR 41 CO 0.00 0.57 -0.35 0.82 -1.64 0.00 0.00 178.16 177.56 3dvp h ILE 42 N -0.97 0.20 -0.13 1.81 2.04 -1.23 -2.52 117.51 116.72 3dvp h ILE 42 Ca -0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.90 3dvp h ILE 42 Cb 0.62 0.20 -0.06 0.00 -0.74 0.00 0.00 36.82 36.83 3dvp h ILE 42 CO 0.01 0.00 -0.33 0.50 0.00 0.00 0.00 178.15 178.33 3dvp h LYS 43 N -0.27 -0.39 -0.57 2.37 3.11 -1.17 -2.50 116.57 117.14 3dvp h LYS 43 Ca 0.16 0.03 0.01 0.00 -2.81 0.00 0.00 60.65 58.04 3dvp h LYS 43 Cb 0.55 0.09 -0.03 0.00 -1.00 0.00 0.00 32.23 31.84 3dvp h LYS 43 CO -0.55 -0.26 0.38 0.87 -2.81 0.00 0.00 179.45 177.08 3dvp h LYS 44 N -0.40 0.74 -0.60 1.90 1.57 -1.46 -1.25 116.57 117.07 3dvp h LYS 44 Ca 0.09 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 3dvp h LYS 44 Cb 0.55 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 3dvp h LYS 44 CO -0.36 0.49 0.10 0.93 -0.57 0.00 0.00 179.45 180.04 3dvp h GLU 45 N 0.76 0.96 -0.15 3.15 4.39 -1.08 -2.40 114.58 120.21 3dvp h GLU 45 Ca 0.21 -0.24 -0.21 0.00 0.34 0.00 0.00 59.36 59.46 3dvp h GLU 45 Cb -0.07 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 28.46 3dvp h GLU 45 CO -0.05 0.89 -0.73 0.74 -1.16 0.00 0.00 179.01 178.71 3dvp h PHE 46 N 0.91 1.03 -0.68 4.33 -1.00 -0.85 0.71 116.94 121.39 3dvp h PHE 46 Ca 0.19 -0.45 0.11 0.00 2.81 0.00 0.00 57.97 60.62 3dvp h PHE 46 Cb 0.40 -0.16 -0.04 0.00 3.61 0.00 0.00 35.95 39.76 3dvp h PHE 46 CO 0.03 1.28 0.45 -0.44 -1.61 0.00 0.00 178.31 178.01 3dvp h ASP 47 N 0.49 0.44 0.07 2.17 3.32 -1.31 0.87 116.42 122.46 3dvp h ASP 47 Ca -0.05 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 3dvp h ASP 47 Cb 1.36 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3dvp h ASP 47 CO 0.15 0.26 -0.03 0.50 -1.72 0.00 0.00 179.24 178.39 3dvp h LYS 48 N 0.48 -0.09 -0.01 3.56 3.64 -0.81 -1.66 116.57 121.69 3dvp h LYS 48 Ca 0.32 0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.57 3dvp h LYS 48 Cb 0.59 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.44 3dvp h LYS 48 CO -0.10 0.45 -0.50 -0.22 -2.27 0.00 0.00 179.45 176.81 3dvp h LYS 49 N -0.90 0.35 -0.13 1.90 3.64 0.47 -3.37 116.57 118.52 3dvp h LYS 49 Ca -0.01 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 3dvp h LYS 49 Cb 0.59 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 3dvp h LYS 49 CO 0.02 1.05 0.00 0.66 -2.27 0.00 0.00 179.45 178.91 3dvp n TYR 50 N -4.30 0.41 -0.29 1.91 4.02 0.30 -5.05 117.16 114.16 3dvp n TYR 50 Ca -0.10 -0.87 0.00 0.00 -0.01 0.00 0.00 57.90 56.92 3dvp n TYR 50 Cb 0.62 -0.20 -0.00 0.00 -0.02 0.00 0.00 39.34 39.74 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 -0.85 -1.58 -4.67 7.72 3.02 -0.63 -4.87 115.26 113.41 3dvp n ASN 51 Ca 0.16 0.35 -0.30 0.00 -0.03 0.00 0.00 54.58 54.77 3dvp n ASN 51 Cb 0.69 -0.14 0.17 0.00 -0.61 0.00 0.00 39.78 39.89 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 -4.26 0.76 -0.13 3.52 0.02 -1.20 -3.99 135.00 129.72 3dvp s PRO 52 Ca 0.00 0.90 0.01 0.00 0.02 0.00 0.00 61.00 61.93 3dvp s PRO 52 Cb 0.00 -1.74 -0.01 0.00 0.02 0.00 0.00 34.50 32.77 3dvp s PRO 52 CO 0.00 -2.61 -0.18 0.99 -0.33 0.00 0.00 177.00 174.88 3dvp s THR 53 N -2.81 2.59 0.37 0.99 2.01 0.12 -4.97 115.64 113.94 3dvp s THR 53 Ca 0.65 -0.82 0.08 0.00 0.31 0.00 0.00 61.69 61.91 3dvp s THR 53 Cb -0.20 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 3dvp s THR 53 CO 0.59 0.54 0.19 0.26 -0.69 0.00 0.00 174.62 175.50 3dvp s TRP 54 N 0.46 2.69 -0.11 4.92 0.52 -1.26 -1.16 118.94 125.00 3dvp s TRP 54 Ca -0.12 -0.45 -0.07 0.00 0.02 0.00 0.00 56.10 55.48 3dvp s TRP 54 Cb -0.16 -1.80 0.04 0.00 -1.15 0.00 0.00 33.47 30.40 3dvp s TRP 54 CO 0.05 0.23 0.28 -1.01 0.02 0.00 0.00 176.95 176.52 3dvp s HIS 55 N -2.47 -0.35 -0.03 -1.98 3.76 -0.18 -4.93 115.29 109.11 3dvp s HIS 55 Ca 0.40 0.83 0.01 0.00 -0.15 0.00 0.00 55.06 56.16 3dvp s HIS 55 Cb -0.01 0.10 0.01 0.00 1.11 0.00 0.00 32.58 33.79 3dvp s HIS 55 CO 0.23 -0.21 -0.05 0.00 -0.85 0.00 0.00 174.74 173.86 3dvp s ILE 57 N 0.47 2.81 -0.18 0.00 1.09 0.13 -4.85 121.20 120.67 3dvp s ILE 57 Ca -0.06 -0.71 0.01 0.00 -1.10 0.00 0.00 60.65 58.79 3dvp s ILE 57 Cb -0.10 -2.21 0.03 0.00 -1.06 0.00 0.00 42.46 39.12 3dvp s ILE 57 CO -0.00 0.50 -0.17 -0.69 -0.10 0.00 0.00 174.94 174.48 3dvp s VAL 58 N 1.01 1.90 0.13 2.92 1.01 -1.26 -1.01 120.40 125.10 3dvp s VAL 58 Ca -0.01 -0.93 -0.24 0.00 0.00 0.00 0.00 61.98 60.80 3dvp s VAL 58 Cb -0.15 -1.78 0.08 0.00 0.00 0.00 0.00 36.38 34.53 3dvp s VAL 58 CO -0.02 0.43 1.10 -0.83 0.00 0.00 0.00 175.10 175.78 3dvp s GLY 59 N 1.34 0.01 0.01 4.51 0.00 -0.59 -4.79 107.32 107.80 3dvp s GLY 59 Ca 0.03 -0.17 0.24 0.00 0.00 0.00 0.00 44.72 44.82 3dvp s GLY 59 CO -0.11 2.75 1.23 0.54 0.00 0.00 0.00 173.10 177.51 3dvp n ARG 60 N -0.71 0.03 -3.15 2.90 1.74 -1.26 -1.07 116.66 115.14 3dvp n ARG 60 Ca -0.02 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.10 3dvp n ARG 60 Cb 0.60 -1.51 -0.00 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 -3.11 -1.41 0.09 0.55 3.84 -1.26 -4.93 114.94 108.71 3dvp s ASN 61 Ca 0.09 0.17 -0.16 0.00 0.21 0.00 0.00 52.86 53.17 3dvp s ASN 61 Cb 0.17 1.89 0.03 0.00 -0.55 0.00 0.00 41.25 42.80 3dvp s ASN 61 CO 0.76 -0.26 0.39 0.72 -2.79 0.00 0.00 177.10 175.93 3dvp s PHE 62 N 2.85 -0.21 0.39 0.43 -0.12 -1.26 -5.17 117.98 114.89 3dvp s PHE 62 Ca 0.13 -0.01 0.08 0.00 -0.05 0.00 0.00 56.93 57.08 3dvp s PHE 62 Cb -0.08 0.23 -0.07 0.00 -0.63 0.00 0.00 43.02 42.47 3dvp s PHE 62 CO -0.25 -0.65 0.03 0.20 -0.05 0.00 0.00 175.22 174.50 3dvp s GLY 63 N -2.52 2.35 0.11 1.99 0.00 -1.26 -5.12 107.32 102.87 3dvp s GLY 63 Ca 0.00 -2.18 -0.18 0.00 0.00 0.00 0.00 44.72 42.36 3dvp s GLY 63 CO -0.09 -2.02 0.45 -1.35 0.00 0.00 0.00 173.10 170.10 3dvp s SER 64 N -3.74 -0.33 -0.22 1.64 1.04 -1.26 -5.12 113.70 105.72 3dvp s SER 64 Ca 0.36 -0.17 -0.03 0.00 0.48 0.00 0.00 55.95 56.60 3dvp s SER 64 Cb 0.06 0.49 0.07 0.00 0.10 0.00 0.00 66.02 66.74 3dvp s SER 64 CO 0.19 -0.84 0.05 -0.47 0.98 0.00 0.00 173.24 173.15 3dvp s TYR 65 N -3.49 1.11 0.28 5.02 5.04 -1.26 -5.15 117.35 118.90 3dvp s TYR 65 Ca 0.01 -1.01 0.05 0.00 -2.44 0.00 0.00 57.07 53.68 3dvp s TYR 65 Cb 0.01 -1.13 -0.06 0.00 0.35 0.00 0.00 41.96 41.13 3dvp s TYR 65 CO -0.10 -0.67 -0.00 0.14 -1.34 0.00 0.00 175.55 173.58 3dvp s VAL 66 N 1.83 1.33 -0.14 3.14 -7.23 -1.26 -5.15 120.40 112.91 3dvp s VAL 66 Ca 0.01 -2.06 -0.00 0.00 -1.81 0.00 0.00 61.98 58.12 3dvp s VAL 66 Cb -0.17 -2.54 -0.01 0.00 0.56 0.00 0.00 36.38 34.22 3dvp s VAL 66 CO -0.12 -0.21 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.45 3dvp s THR 67 N -3.22 3.05 0.07 5.32 2.01 -1.26 -5.13 115.64 116.49 3dvp s THR 67 Ca 0.31 -0.65 0.04 0.00 0.31 0.00 0.00 61.69 61.70 3dvp s THR 67 Cb 0.06 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.25 3dvp s THR 67 CO 0.12 0.51 -0.12 -1.38 -0.69 0.00 0.00 174.62 173.07 3dvp s HIS 68 N 0.49 1.05 0.28 4.92 -3.43 -1.26 -4.57 115.29 112.77 3dvp s HIS 68 Ca -0.09 -0.51 -0.29 0.00 -0.80 0.00 0.00 55.06 53.38 3dvp s HIS 68 Cb -0.16 -0.59 -0.14 0.00 -1.43 0.00 0.00 32.58 30.26 3dvp s HIS 68 CO 0.04 0.01 1.15 -1.91 -2.00 0.00 0.00 174.74 172.03 3dvp n GLU 69 N 1.19 1.59 -1.67 -0.38 2.13 0.07 -4.87 120.64 118.70 3dvp n GLU 69 Ca -0.21 0.56 -0.45 0.00 0.66 0.00 0.00 57.16 57.72 3dvp n GLU 69 Cb 0.55 -2.03 -0.03 0.00 0.27 0.00 0.00 31.44 30.20 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 0.65 0.86 -0.99 6.31 5.66 -1.26 -2.07 114.28 123.43 3dvp n THR 70 Ca 0.09 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 3dvp n THR 70 Cb 0.32 -1.46 0.00 0.00 -1.55 0.00 0.00 70.33 67.64 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 2.15 0.00 -3.28 1.09 5.12 -1.23 -4.96 116.66 115.55 3dvp n ARG 71 Ca 0.12 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.79 3dvp n ARG 71 Cb 0.31 -2.84 -0.07 0.00 -1.16 0.00 0.00 32.46 28.70 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 -2.74 1.65 -3.69 -1.55 8.25 0.05 -3.69 115.22 113.50 3dvp n HIS 72 Ca 0.00 -3.86 -0.13 0.00 -0.26 0.00 0.00 57.72 53.47 3dvp n HIS 72 Cb 0.00 -0.45 -0.09 0.00 1.12 0.00 0.00 29.99 30.57 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 -1.91 -0.59 -0.10 4.41 2.19 -0.72 -2.17 117.98 119.10 3dvp s PHE 73 Ca 0.38 1.43 -0.08 0.00 0.33 0.00 0.00 56.93 58.99 3dvp s PHE 73 Cb 0.17 0.21 0.03 0.00 -1.31 0.00 0.00 43.02 42.12 3dvp s PHE 73 CO -0.06 -0.28 0.25 -1.50 1.83 0.00 0.00 175.22 175.45 3dvp s ILE 74 N 0.32 -0.01 -0.12 3.12 2.07 -0.08 -1.68 121.20 124.81 3dvp s ILE 74 Ca -0.00 0.04 -0.00 0.00 -1.41 0.00 0.00 60.65 59.27 3dvp s ILE 74 Cb -0.04 -0.36 0.03 0.00 0.13 0.00 0.00 42.46 42.22 3dvp s ILE 74 CO 0.00 0.02 -0.08 -0.47 -1.91 0.00 0.00 174.94 172.50 3dvp s TYR 75 N 0.43 1.52 0.22 3.50 5.04 -0.46 -1.18 117.35 126.42 3dvp s TYR 75 Ca -0.02 -0.78 -0.09 0.00 -2.44 0.00 0.00 57.07 53.73 3dvp s TYR 75 Cb -0.04 -1.25 -0.01 0.00 0.35 0.00 0.00 41.96 41.01 3dvp s TYR 75 CO -0.02 -0.53 0.35 -0.59 -1.34 0.00 0.00 175.55 173.42 3dvp s PHE 76 N 1.70 0.57 -0.11 4.97 -0.71 0.04 -1.59 117.98 122.85 3dvp s PHE 76 Ca 0.05 -0.90 -0.02 0.00 -1.04 0.00 0.00 56.93 55.02 3dvp s PHE 76 Cb -0.13 -0.05 -0.03 0.00 -1.21 0.00 0.00 43.02 41.60 3dvp s PHE 76 CO -0.08 -0.85 -0.03 0.71 -1.34 0.00 0.00 175.22 173.63 3dvp s TYR 77 N -4.04 3.06 -0.51 3.49 1.51 0.25 1.00 117.35 122.10 3dvp s TYR 77 Ca 0.26 -0.05 0.05 0.00 -1.01 0.00 0.00 57.07 56.32 3dvp s TYR 77 Cb 0.02 -1.85 0.20 0.00 -0.11 0.00 0.00 41.96 40.21 3dvp s TYR 77 CO 0.08 0.22 0.46 -0.11 -1.11 0.00 0.00 175.55 175.09 3dvp n LEU 78 N 2.79 1.01 0.00 -1.29 7.94 0.50 -0.58 117.00 127.36 3dvp n LEU 78 Ca -0.18 -4.77 0.00 0.00 -1.11 0.00 0.00 56.01 49.95 3dvp n LEU 78 Cb 0.53 0.10 0.00 0.00 0.53 0.00 0.00 43.42 44.58 3dvp n LEU 78 CO 0.30 1.90 0.00 0.61 -1.11 0.00 0.00 177.39 179.09 3dvp n GLY 79 N 2.10 0.54 0.51 -3.96 0.00 -1.26 -3.83 105.19 99.28 3dvp n GLY 79 Ca 0.26 -1.00 0.05 0.00 0.00 0.00 0.00 46.02 45.33 3dvp n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dvp n GLN 80 N 8.09 1.64 -4.00 1.61 6.02 -1.26 -4.84 117.38 124.64 3dvp n GLN 80 Ca 0.00 -0.99 -0.36 0.00 -0.01 0.00 0.00 57.00 55.64 3dvp n GLN 80 Cb 0.00 -1.22 -0.08 0.00 1.02 0.00 0.00 30.24 29.96 3dvp n GLN 80 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3dvp s VAL 81 N -1.64 5.06 -0.15 5.09 1.01 -1.25 -4.41 120.40 124.11 3dvp s VAL 81 Ca 0.19 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.19 3dvp s VAL 81 Cb 0.10 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 3dvp s VAL 81 CO 0.13 0.56 -0.06 0.00 0.00 0.00 0.00 175.10 175.74 3dvp s ALA 82 N -0.53 2.91 -0.11 5.51 0.00 -0.23 -0.37 121.76 128.95 3dvp s ALA 82 Ca 0.11 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.26 3dvp s ALA 82 Cb -0.12 -1.48 -0.00 0.00 0.00 0.00 0.00 23.12 21.52 3dvp s ALA 82 CO 0.02 0.20 -0.22 0.42 0.00 0.00 0.00 175.76 176.19 3dvp s ILE 83 N 0.39 2.24 -0.17 0.00 1.09 0.28 -1.54 121.20 123.48 3dvp s ILE 83 Ca -0.05 -0.95 -0.01 0.00 -1.10 0.00 0.00 60.65 58.53 3dvp s ILE 83 Cb -0.15 -1.87 -0.01 0.00 -1.06 0.00 0.00 42.46 39.38 3dvp s ILE 83 CO 0.03 0.55 -0.12 -0.22 -0.10 0.00 0.00 174.94 175.09 3dvp s LEU 84 N 0.38 2.63 -0.06 2.97 2.96 -0.18 -0.78 118.68 126.61 3dvp s LEU 84 Ca -0.17 -0.42 -0.02 0.00 -0.22 0.00 0.00 54.13 53.31 3dvp s LEU 84 Cb -0.17 -1.62 0.03 0.00 0.50 0.00 0.00 46.19 44.93 3dvp s LEU 84 CO 0.08 0.07 0.02 -0.22 -1.32 0.00 0.00 176.35 174.98 3dvp s LEU 85 N 0.91 0.44 0.21 -0.68 2.96 -0.32 -0.69 118.68 121.50 3dvp s LEU 85 Ca -0.03 -0.02 -0.12 0.00 -0.22 0.00 0.00 54.13 53.74 3dvp s LEU 85 Cb -0.15 -0.32 -0.00 0.00 0.50 0.00 0.00 46.19 46.22 3dvp s LEU 85 CO -0.01 -0.21 0.41 0.72 -1.32 0.00 0.00 176.35 175.94 3dvp s PHE 86 N 2.02 0.32 -0.10 5.38 -0.71 -0.82 -0.90 117.98 123.16 3dvp s PHE 86 Ca 0.05 -0.68 0.03 0.00 -1.04 0.00 0.00 56.93 55.29 3dvp s PHE 86 Cb -0.12 0.11 0.01 0.00 -1.21 0.00 0.00 43.02 41.81 3dvp s PHE 86 CO -0.04 -0.87 -0.20 0.21 -1.34 0.00 0.00 175.22 172.98 3dvp s LYS 87 N -3.98 2.62 -0.14 1.99 2.20 -0.92 -1.01 119.74 120.49 3dvp s LYS 87 Ca 0.19 -0.72 -0.08 0.00 -0.36 0.00 0.00 55.97 55.00 3dvp s LYS 87 Cb 0.01 -2.08 0.05 0.00 -1.51 0.00 0.00 37.83 34.31 3dvp s LYS 87 CO 0.04 0.06 0.35 0.45 -0.36 0.00 0.00 175.35 175.89 3dvp s SER 88 N 0.63 -0.42 0.00 1.43 0.15 -0.31 -0.75 113.70 114.44 3dvp s SER 88 Ca -0.13 0.75 0.00 0.00 0.70 0.00 0.00 55.95 57.27 3dvp s SER 88 Cb -0.16 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 3dvp s SER 88 CO 0.04 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.91