#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dnv s GLN 5 N 0.00 4.53 0.21 -4.13 -0.21 -1.26 -5.01 119.66 113.79 3dnv s GLN 5 Ca 0.00 1.60 -0.30 0.00 0.02 0.00 0.00 55.36 56.68 3dnv s GLN 5 Cb 0.00 -3.38 -0.08 0.00 1.00 0.00 0.00 33.01 30.55 3dnv s GLN 5 CO 0.00 -0.08 0.96 0.15 -2.12 0.00 0.00 175.29 174.20 3dnv s LYS 6 N 0.71 4.80 -0.07 2.91 1.02 -1.26 -5.05 119.74 122.79 3dnv s LYS 6 Ca 0.53 1.51 0.02 0.00 0.02 0.00 0.00 55.97 58.06 3dnv s LYS 6 Cb -0.26 -3.30 -0.02 0.00 -0.52 0.00 0.00 37.83 33.73 3dnv s LYS 6 CO 0.30 0.41 -0.13 0.42 -0.92 0.00 0.00 175.35 175.43 3dnv s ILE 7 N -0.88 3.18 0.00 2.17 1.01 -1.26 -5.04 121.20 120.39 3dnv s ILE 7 Ca 0.43 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.42 3dnv s ILE 7 Cb -0.26 -2.28 0.00 0.00 0.01 0.00 0.00 42.46 39.93 3dnv s ILE 7 CO 0.32 0.58 0.75 -1.22 0.00 0.00 0.00 174.94 175.37 3dnv n TYR 8 N 2.57 0.00 -3.82 3.97 4.02 -1.26 -5.05 117.16 117.59 3dnv n TYR 8 Ca -0.17 -0.27 -0.09 0.00 -0.01 0.00 0.00 57.90 57.35 3dnv n TYR 8 Cb 0.52 -0.03 -0.04 0.00 -0.02 0.00 0.00 39.34 39.77 3dnv n TYR 8 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3dnv s SER 9 N -0.55 -0.19 0.22 7.72 1.04 -1.26 -5.03 113.70 115.65 3dnv s SER 9 Ca 0.00 -0.61 -0.09 0.00 0.48 0.00 0.00 55.95 55.73 3dnv s SER 9 Cb 0.00 0.56 0.18 0.00 0.10 0.00 0.00 66.02 66.86 3dnv s SER 9 CO 0.00 -1.06 1.85 -0.65 0.98 0.00 0.00 173.24 174.36 3dnv h PRO 10 N 2.25 1.13 -0.46 4.02 0.11 -1.96 -2.09 132.00 135.00 3dnv h PRO 10 Ca -0.28 -0.12 -0.07 0.00 0.11 0.00 0.00 66.00 65.64 3dnv h PRO 10 Cb 1.25 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3dnv h PRO 10 CO 0.38 0.82 0.01 1.15 -0.21 0.00 0.00 178.00 180.16 3dnv h THR 11 N 1.14 1.26 -0.41 -1.15 2.02 -1.96 -0.26 112.91 113.55 3dnv h THR 11 Ca 0.29 -1.03 -0.04 0.00 0.77 0.00 0.00 66.41 66.40 3dnv h THR 11 Cb 0.00 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 3dnv h THR 11 CO -0.05 0.36 0.09 -0.61 0.37 0.00 0.00 175.52 175.67 3dnv h GLN 12 N 0.66 0.61 0.49 6.66 4.15 -1.92 -1.56 115.11 124.20 3dnv h GLN 12 Ca 0.13 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 3dnv h GLN 12 Cb 0.48 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.08 3dnv h GLN 12 CO 0.02 0.57 -0.24 1.25 -1.93 0.00 0.00 178.83 178.50 3dnv h LEU 13 N 0.59 -0.56 -1.01 -2.39 6.46 -0.91 -2.28 115.31 115.22 3dnv h LEU 13 Ca 0.14 -0.04 0.01 0.00 -0.12 0.00 0.00 57.88 57.87 3dnv h LEU 13 Cb 0.25 0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 40.27 3dnv h LEU 13 CO -0.00 -0.31 0.67 0.00 -0.62 0.00 0.00 178.44 178.18 3dnv h ALA 14 N -0.33 1.28 -0.58 1.25 0.00 -0.89 0.99 119.26 120.98 3dnv h ALA 14 Ca -0.07 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.79 3dnv h ALA 14 Cb 0.56 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3dnv h ALA 14 CO 0.11 0.66 0.37 -0.91 0.00 0.00 0.00 179.25 179.48 3dnv h ASN 15 N 1.36 0.62 0.60 0.00 2.35 -1.24 0.35 115.58 119.62 3dnv h ASN 15 Ca 0.37 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 56.08 3dnv h ASN 15 Cb -0.15 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 38.08 3dnv h ASN 15 CO -0.08 0.45 -0.29 0.00 -1.65 0.00 0.00 177.43 175.86 3dnv h ALA 16 N 1.23 -0.80 -0.97 -0.83 0.00 -0.76 -1.04 119.26 116.09 3dnv h ALA 16 Ca 0.22 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.99 3dnv h ALA 16 Cb -0.04 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 3dnv h ALA 16 CO -0.07 -0.88 0.63 0.52 0.00 0.00 0.00 179.25 179.45 3dnv h MET 17 N -0.94 1.12 -0.22 0.00 2.86 -0.66 -0.74 114.93 116.35 3dnv h MET 17 Ca -0.08 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.41 3dnv h MET 17 Cb 0.66 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 3dnv h MET 17 CO 0.13 0.74 -0.21 -0.22 1.06 0.00 0.00 176.91 178.41 3dnv h LYS 18 N 1.15 0.39 -0.02 1.72 3.64 -0.20 -1.89 116.57 121.37 3dnv h LYS 18 Ca 0.41 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3dnv h LYS 18 Cb 0.14 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3dnv h LYS 18 CO -0.15 0.59 0.01 1.25 -2.27 0.00 0.00 179.45 178.88 3dnv h LEU 19 N 0.35 0.03 -0.78 5.20 6.46 0.21 -1.97 115.31 124.81 3dnv h LEU 19 Ca 0.06 -0.13 0.09 0.00 -0.12 0.00 0.00 57.88 57.78 3dnv h LEU 19 Cb 0.58 -0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 40.43 3dnv h LEU 19 CO 0.04 0.15 0.44 0.58 -0.62 0.00 0.00 178.44 179.03 3dnv h VAL 20 N -0.09 0.92 -0.54 1.05 2.07 -1.05 0.19 116.25 118.79 3dnv h VAL 20 Ca 0.01 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 3dnv h VAL 20 Cb 0.13 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 3dnv h VAL 20 CO -0.00 0.14 0.27 -0.09 0.02 0.00 0.00 177.57 177.91 3dnv h ARG 21 N 0.75 0.78 -0.40 1.57 2.43 -1.14 -1.32 114.38 117.05 3dnv h ARG 21 Ca 0.37 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 59.35 3dnv h ARG 21 Cb 0.32 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3dnv h ARG 21 CO -0.23 0.63 -0.07 1.96 -1.51 0.00 0.00 179.97 180.74 3dnv h GLN 22 N 0.73 0.76 0.00 0.20 4.20 -0.56 -2.02 115.11 118.42 3dnv h GLN 22 Ca 0.19 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 3dnv h GLN 22 Cb 0.10 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 3dnv h GLN 22 CO -0.03 0.88 -0.06 1.96 -0.67 0.00 0.00 178.83 180.92 3dnv h GLN 23 N 0.58 0.00 -0.27 1.46 1.08 -0.44 -1.87 115.11 115.64 3dnv h GLN 23 Ca 0.10 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 3dnv h GLN 23 Cb 0.59 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 3dnv h GLN 23 CO 0.04 0.06 0.00 0.09 -0.95 0.00 0.00 178.83 178.06 3dnv n ASN 24 N -3.44 3.12 -0.40 1.46 4.13 -0.52 -4.96 115.26 114.65 3dnv n ASN 24 Ca -0.02 -1.95 -0.05 0.00 1.68 0.00 0.00 54.58 54.23 3dnv n ASN 24 Cb 0.19 -0.17 -0.02 0.00 -1.54 0.00 0.00 39.78 38.24 3dnv n ASN 24 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dnv n GLY 25 N 1.43 0.74 3.90 7.41 0.00 -0.70 -5.02 105.19 112.94 3dnv n GLY 25 Ca 0.18 -0.32 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 3dnv n GLY 25 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3dnv s TRP 26 N -1.99 3.50 0.35 1.61 0.51 -0.81 -5.03 118.94 117.09 3dnv s TRP 26 Ca 0.00 0.78 0.08 0.00 -2.12 0.00 0.00 56.10 54.84 3dnv s TRP 26 Cb 0.00 -2.24 -0.04 0.00 -0.81 0.00 0.00 33.47 30.38 3dnv s TRP 26 CO 0.00 -0.04 0.21 0.95 -0.51 0.00 0.00 176.95 177.55 3dnv s THR 27 N -2.37 3.13 0.39 2.01 -4.23 -1.26 -4.58 115.64 108.72 3dnv s THR 27 Ca 0.47 -1.57 0.20 0.00 -1.18 0.00 0.00 61.69 59.61 3dnv s THR 27 Cb -0.10 -3.05 0.21 0.00 1.34 0.00 0.00 72.50 70.90 3dnv s THR 27 CO 0.35 -0.16 1.97 1.56 -0.54 0.00 0.00 174.62 177.80 3dnv h GLN 28 N 1.42 0.00 0.11 3.99 4.20 -1.99 -3.09 115.11 119.74 3dnv h GLN 28 Ca -0.44 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.27 3dnv h GLN 28 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 3dnv h GLN 28 CO 0.62 0.21 -0.05 0.77 -0.67 0.00 0.00 178.83 179.71 3dnv h SER 29 N 0.00 -0.12 -0.70 1.46 0.02 -1.95 -1.91 113.55 110.35 3dnv h SER 29 Ca -0.00 -0.40 -0.03 0.00 -0.84 0.00 0.00 61.79 60.53 3dnv h SER 29 Cb 0.45 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 3dnv h SER 29 CO 0.03 0.37 0.35 1.05 -1.14 0.00 0.00 176.83 177.48 3dnv h GLU 30 N -0.65 1.02 -0.27 3.45 4.11 -1.96 -1.46 114.58 118.81 3dnv h GLU 30 Ca -0.01 -0.14 -0.08 0.00 0.07 0.00 0.00 59.36 59.20 3dnv h GLU 30 Cb 0.51 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3dnv h GLU 30 CO 0.02 0.78 -0.14 -0.07 0.07 0.00 0.00 179.01 179.68 3dnv h LEU 31 N 1.01 0.59 -1.27 3.06 3.38 -1.62 -2.77 115.31 117.70 3dnv h LEU 31 Ca 0.25 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3dnv h LEU 31 Cb 0.10 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3dnv h LEU 31 CO -0.03 0.88 0.35 0.00 0.09 0.00 0.00 178.44 179.72 3dnv h ALA 32 N 0.73 1.45 -0.25 1.53 0.00 -0.99 -2.23 119.26 119.50 3dnv h ALA 32 Ca 0.06 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3dnv h ALA 32 Cb 0.66 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3dnv h ALA 32 CO 0.04 0.46 -0.02 0.87 0.00 0.00 0.00 179.25 180.61 3dnv h LYS 33 N 0.86 0.45 -0.72 0.00 1.57 -1.22 -1.28 116.57 116.22 3dnv h LYS 33 Ca 0.22 -0.15 0.06 0.00 -1.87 0.00 0.00 60.65 58.91 3dnv h LYS 33 Cb 0.01 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.22 3dnv h LYS 33 CO -0.04 0.64 0.41 0.87 -0.57 0.00 0.00 179.45 180.76 3dnv h LYS 34 N 0.22 0.72 -0.39 3.15 1.57 -1.18 -2.92 116.57 117.75 3dnv h LYS 34 Ca 0.07 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3dnv h LYS 34 Cb 0.44 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3dnv h LYS 34 CO 0.02 0.48 0.00 0.44 -0.57 0.00 0.00 179.45 179.81 3dnv n ILE 35 N -4.76 0.50 -2.04 1.86 -5.35 -0.87 -4.98 119.36 103.73 3dnv n ILE 35 Ca 0.10 -0.67 -0.07 0.00 -0.27 0.00 0.00 62.75 61.84 3dnv n ILE 35 Cb 0.19 0.73 -0.01 0.00 -1.74 0.00 0.00 39.64 38.81 3dnv n ILE 35 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dnv n GLY 36 N 1.42 0.17 3.42 3.28 0.00 -0.62 -5.02 105.19 107.84 3dnv n GLY 36 Ca 0.19 -0.63 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 3dnv n GLY 36 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dnv s ILE 37 N -2.32 1.42 0.46 -0.61 -4.36 -0.58 -5.05 121.20 110.16 3dnv s ILE 37 Ca 0.00 -2.07 -0.21 0.00 -0.26 0.00 0.00 60.65 58.11 3dnv s ILE 37 Cb 0.00 -2.52 -0.09 0.00 1.25 0.00 0.00 42.46 41.10 3dnv s ILE 37 CO 0.00 -0.23 1.03 -0.54 0.24 0.00 0.00 174.94 175.44 3dnv s LYS 38 N -3.79 3.92 0.41 0.37 1.02 -1.26 -4.26 119.74 116.14 3dnv s LYS 38 Ca 0.31 1.36 0.09 0.00 0.02 0.00 0.00 55.97 57.75 3dnv s LYS 38 Cb 0.06 -2.19 0.85 0.00 -0.52 0.00 0.00 37.83 36.03 3dnv s LYS 38 CO 0.12 -0.33 1.98 0.37 -0.92 0.00 0.00 175.35 176.58 3dnv h GLN 39 N 1.78 0.31 -0.87 1.68 -0.00 -1.92 -1.92 115.11 114.18 3dnv h GLN 39 Ca -0.49 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.11 3dnv h GLN 39 Cb 1.21 -0.05 -0.04 0.00 0.00 0.00 0.00 27.48 28.60 3dnv h GLN 39 CO 0.60 0.34 0.55 0.00 0.00 0.00 0.00 178.83 180.32 3dnv h ALA 40 N 1.70 1.10 -0.37 3.38 0.00 -1.94 -1.57 119.26 121.56 3dnv h ALA 40 Ca 0.07 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3dnv h ALA 40 Cb 0.21 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3dnv h ALA 40 CO 0.00 0.53 0.10 1.15 0.00 0.00 0.00 179.25 181.03 3dnv h THR 41 N 1.18 0.85 -0.73 0.00 2.02 -1.73 0.25 112.91 114.75 3dnv h THR 41 Ca 0.31 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 67.42 3dnv h THR 41 Cb -0.10 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 66.87 3dnv h THR 41 CO -0.06 0.04 0.48 0.40 0.37 0.00 0.00 175.52 176.75 3dnv h ILE 42 N 0.24 1.17 -0.79 3.11 1.08 -1.34 -0.11 117.51 120.88 3dnv h ILE 42 Ca 0.17 -0.34 -0.03 0.00 -0.39 0.00 0.00 64.86 64.28 3dnv h ILE 42 Cb 0.18 0.11 -0.04 0.00 -3.07 0.00 0.00 36.82 34.00 3dnv h ILE 42 CO -0.20 0.18 0.38 -1.28 -0.69 0.00 0.00 178.15 176.54 3dnv h SER 43 N 0.98 1.04 -0.20 1.72 0.87 -0.29 -0.85 113.55 116.82 3dnv h SER 43 Ca 0.27 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 3dnv h SER 43 Cb -0.09 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.59 3dnv h SER 43 CO -0.07 0.88 0.07 -1.13 -0.53 0.00 0.00 176.83 176.06 3dnv h ASN 44 N 1.12 0.28 -0.68 6.23 -1.24 -0.04 -2.10 115.58 119.14 3dnv h ASN 44 Ca 0.27 -0.18 0.10 0.00 0.71 0.00 0.00 56.30 57.21 3dnv h ASN 44 Cb 0.12 -0.07 -0.08 0.00 0.73 0.00 0.00 38.32 39.02 3dnv h ASN 44 CO -0.03 0.38 0.29 0.15 -1.29 0.00 0.00 177.43 176.93 3dnv h PHE 45 N 0.16 0.51 -0.06 0.67 3.57 -0.62 1.13 116.94 122.29 3dnv h PHE 45 Ca 0.06 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.49 3dnv h PHE 45 Cb 0.20 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 3dnv h PHE 45 CO -0.01 0.14 -0.43 0.93 -2.23 0.00 0.00 178.31 176.71 3dnv h GLU 46 N 0.48 0.14 0.00 1.11 5.08 -0.89 -2.99 114.58 117.51 3dnv h GLU 46 Ca 0.35 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.54 3dnv h GLU 46 Cb 0.43 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 3dnv h GLU 46 CO -0.32 0.55 -1.91 0.09 -1.00 0.00 0.00 179.01 176.42 3dnv n ASN 47 N -4.02 0.93 -3.09 1.42 3.02 -0.72 -4.73 115.26 108.09 3dnv n ASN 47 Ca -0.02 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.36 3dnv n ASN 47 Cb 0.48 1.52 -0.02 0.00 -0.61 0.00 0.00 39.78 41.15 3dnv n ASN 47 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3dnv n ASN 48 N -2.27 1.17 0.34 6.41 4.13 0.38 -4.96 115.26 120.45 3dnv n ASN 48 Ca -0.11 -3.01 0.22 0.00 1.68 0.00 0.00 54.58 53.36 3dnv n ASN 48 Cb 0.65 -0.60 1.18 0.00 -1.54 0.00 0.00 39.78 39.47 3dnv n ASN 48 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 3dnv h PRO 49 N 2.99 0.00 -0.16 3.52 0.13 -1.59 -3.31 132.00 133.58 3dnv h PRO 49 Ca 0.07 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.24 3dnv h PRO 49 Cb 0.98 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.04 3dnv h PRO 49 CO 0.52 0.00 -0.45 -0.44 -0.23 0.00 0.00 178.00 177.40 3dnv h ASP 50 N 0.00 -1.43 -1.81 1.44 3.32 -1.90 -2.50 116.42 113.54 3dnv h ASP 50 Ca 0.00 0.19 -0.77 0.00 0.02 0.00 0.00 57.03 56.47 3dnv h ASP 50 Cb 0.04 0.58 -0.22 0.00 0.22 0.00 0.00 39.33 39.95 3dnv h ASP 50 CO -0.00 -0.44 1.46 0.59 -1.72 0.00 0.00 179.24 179.14 3dnv n ASN 51 N -5.44 7.57 -4.43 6.45 3.02 -1.25 -4.93 115.26 116.26 3dnv n ASN 51 Ca -0.04 -3.50 -0.32 0.00 -0.03 0.00 0.00 54.58 50.69 3dnv n ASN 51 Cb 0.37 -1.23 -0.14 0.00 -0.61 0.00 0.00 39.78 38.17 3dnv n ASN 51 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3dnv s THR 52 N -3.25 2.74 0.68 3.41 2.01 -0.94 -5.08 115.64 115.20 3dnv s THR 52 Ca 0.46 -0.87 -0.15 0.00 0.31 0.00 0.00 61.69 61.44 3dnv s THR 52 Cb 0.22 -2.05 0.01 0.00 0.01 0.00 0.00 72.50 70.69 3dnv s THR 52 CO -0.15 0.57 1.14 -0.89 -0.69 0.00 0.00 174.62 174.60 3dnv s THR 53 N -0.71 2.93 0.11 -0.82 2.01 -1.26 -4.92 115.64 112.97 3dnv s THR 53 Ca 0.11 0.44 -0.11 0.00 0.31 0.00 0.00 61.69 62.45 3dnv s THR 53 Cb -0.10 -2.97 -0.18 0.00 0.01 0.00 0.00 72.50 69.26 3dnv s THR 53 CO 0.00 -0.26 1.28 -0.07 -0.69 0.00 0.00 174.62 174.89 3dnv h LEU 54 N -0.08 0.83 -0.65 4.42 3.38 -1.99 -1.93 115.31 119.28 3dnv h LEU 54 Ca -0.47 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 56.90 3dnv h LEU 54 Cb 1.26 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 3dnv h LEU 54 CO 0.53 1.39 0.41 0.71 0.09 0.00 0.00 178.44 181.57 3dnv h THR 55 N 0.42 1.18 0.17 0.22 1.35 -1.99 0.25 112.91 114.52 3dnv h THR 55 Ca -0.08 -0.37 0.02 0.00 -0.55 0.00 0.00 66.41 65.43 3dnv h THR 55 Cb 1.52 0.25 -0.04 0.00 -1.73 0.00 0.00 68.15 68.15 3dnv h THR 55 CO 0.17 0.18 -0.38 0.74 -0.25 0.00 0.00 175.52 175.99 3dnv h THR 56 N 0.89 0.23 -0.73 6.82 2.02 -1.94 0.22 112.91 120.41 3dnv h THR 56 Ca 0.24 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.57 3dnv h THR 56 Cb -0.06 0.23 -0.10 0.00 -1.74 0.00 0.00 68.15 66.47 3dnv h THR 56 CO -0.05 0.00 0.22 0.15 0.37 0.00 0.00 175.52 176.21 3dnv h PHE 57 N -0.64 0.36 -0.06 3.16 3.57 -0.51 -0.64 116.94 122.19 3dnv h PHE 57 Ca 0.02 0.04 -0.15 0.00 3.53 0.00 0.00 57.97 61.41 3dnv h PHE 57 Cb 0.65 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 3dnv h PHE 57 CO -0.31 -0.03 -0.63 0.74 -2.23 0.00 0.00 178.31 175.86 3dnv h PHE 58 N 0.33 0.28 -0.42 0.41 -1.00 0.15 -1.16 116.94 115.54 3dnv h PHE 58 Ca 0.41 -0.11 -0.03 0.00 2.81 0.00 0.00 57.97 61.05 3dnv h PHE 58 Cb 0.67 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 40.16 3dnv h PHE 58 CO -0.22 0.79 0.16 0.87 -1.61 0.00 0.00 178.31 178.29 3dnv h LYS 59 N 0.16 0.64 -0.25 1.51 1.57 0.61 0.77 116.57 121.58 3dnv h LYS 59 Ca -0.01 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 58.57 3dnv h LYS 59 Cb 1.14 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 3dnv h LYS 59 CO 0.10 0.61 -0.18 0.82 -0.57 0.00 0.00 179.45 180.23 3dnv h ILE 60 N 0.54 1.24 -0.58 1.86 2.04 -1.10 -1.08 117.51 120.43 3dnv h ILE 60 Ca 0.14 -1.08 -0.08 0.00 1.00 0.00 0.00 64.86 64.83 3dnv h ILE 60 Cb 0.22 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 3dnv h ILE 60 CO -0.01 0.35 0.04 0.25 0.00 0.00 0.00 178.15 178.77 3dnv h LEU 61 N 0.40 0.94 -0.43 1.44 6.46 -0.62 -2.33 115.31 121.17 3dnv h LEU 61 Ca 0.07 -0.24 -0.17 0.00 -0.12 0.00 0.00 57.88 57.43 3dnv h LEU 61 Cb 0.54 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 40.22 3dnv h LEU 61 CO 0.04 0.98 -0.49 1.56 -0.62 0.00 0.00 178.44 179.91 3dnv h GLN 62 N 0.91 0.77 0.00 1.25 1.08 -0.32 -2.07 115.11 116.73 3dnv h GLN 62 Ca 0.17 -0.45 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 3dnv h GLN 62 Cb 0.48 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 3dnv h GLN 62 CO 0.02 1.08 0.00 0.66 -0.95 0.00 0.00 178.83 179.64 3dnv h SER 63 N 0.61 0.00 -0.32 1.46 4.64 -0.98 -1.04 113.55 117.92 3dnv h SER 63 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3dnv h SER 63 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3dnv h SER 63 CO 0.10 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.24 3dnv n LEU 64 N -2.93 2.65 -3.71 5.97 4.77 -0.90 -4.92 117.00 117.94 3dnv n LEU 64 Ca -0.00 -1.16 -0.26 0.00 -0.03 0.00 0.00 56.01 54.56 3dnv n LEU 64 Cb 0.23 -0.21 0.06 0.00 -2.33 0.00 0.00 43.42 41.18 3dnv n LEU 64 CO 0.24 0.58 0.20 -0.62 -1.33 0.00 0.00 177.39 176.45 3dnv n GLU 65 N 0.96 -7.10 -4.66 3.23 1.02 -0.39 -4.98 120.64 108.71 3dnv n GLU 65 Ca 0.18 0.75 -0.30 0.00 -0.02 0.00 0.00 57.16 57.77 3dnv n GLU 65 Cb 0.47 -5.75 -0.09 0.00 -0.02 0.00 0.00 31.44 26.06 3dnv n GLU 65 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3dnv s LEU 66 N -7.28 2.33 0.25 -4.62 1.02 -0.80 -5.06 118.68 104.52 3dnv s LEU 66 Ca 0.60 -1.59 -0.15 0.00 0.02 0.00 0.00 54.13 53.01 3dnv s LEU 66 Cb -0.28 -0.61 0.00 0.00 0.02 0.00 0.00 46.19 45.32 3dnv s LEU 66 CO 0.77 -0.78 0.53 -0.55 0.02 0.00 0.00 176.35 176.34 3dnv s SER 67 N -3.77 -0.14 0.30 2.29 0.15 -1.26 -4.42 113.70 106.85 3dnv s SER 67 Ca 0.17 -0.81 0.06 0.00 0.70 0.00 0.00 55.95 56.07 3dnv s SER 67 Cb 0.04 0.61 -0.06 0.00 -1.71 0.00 0.00 66.02 64.90 3dnv s SER 67 CO 0.09 -1.17 -0.02 0.00 1.20 0.00 0.00 173.24 173.34 3dnv s MET 68 N -3.98 1.60 -0.06 5.44 0.23 -1.26 -5.15 119.30 116.13 3dnv s MET 68 Ca 0.18 -1.84 -0.15 0.00 -1.03 0.00 0.00 55.69 52.86 3dnv s MET 68 Cb -0.02 -1.10 0.03 0.00 -1.53 0.00 0.00 34.83 32.21 3dnv s MET 68 CO 0.07 -0.03 0.35 -0.08 -2.03 0.00 0.00 175.02 173.30 3dnv s THR 69 N -3.07 0.03 0.49 3.16 -1.32 -1.26 -5.16 115.64 108.51 3dnv s THR 69 Ca 0.32 -0.29 -0.04 0.00 -1.21 0.00 0.00 61.69 60.47 3dnv s THR 69 Cb 0.06 -0.60 -0.02 0.00 -1.51 0.00 0.00 72.50 70.42 3dnv s THR 69 CO 0.13 -0.16 0.77 -0.76 -2.21 0.00 0.00 174.62 172.39 3dnv s LEU 70 N -0.80 3.56 0.08 9.08 1.43 -1.26 -5.09 118.68 125.67 3dnv s LEU 70 Ca -0.09 0.70 -0.27 0.00 -1.03 0.00 0.00 54.13 53.44 3dnv s LEU 70 Cb -0.04 -3.59 0.09 0.00 0.03 0.00 0.00 46.19 42.68 3dnv s LEU 70 CO 0.03 -0.71 1.11 0.00 0.23 0.00 0.00 176.35 177.02 3dnv s ASP 72 N -2.99 6.44 -0.11 0.00 1.01 -1.26 -4.94 116.67 114.81 3dnv s ASP 72 Ca 0.14 1.51 0.13 0.00 0.71 0.00 0.00 52.55 55.04 3dnv s ASP 72 Cb 0.01 -2.49 0.58 0.00 1.01 0.00 0.00 42.92 42.03 3dnv s ASP 72 CO -0.00 -0.72 1.44 0.00 0.21 0.00 0.00 175.17 176.10 3dnv n ALA 73 N -2.09 3.11 -0.55 5.23 0.00 -1.26 -5.10 120.51 119.84 3dnv n ALA 73 Ca 0.06 -1.28 0.00 0.00 0.00 0.00 0.00 53.44 52.22 3dnv n ALA 73 Cb 0.54 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.95 3dnv n ALA 73 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13