#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a0h h THR 2 N 0.00 1.55 0.08 2.03 1.03 -1.96 -1.34 112.91 114.30 3a0h h THR 2 Ca 0.00 -2.82 -0.22 0.00 -0.01 0.00 0.00 66.41 63.36 3a0h h THR 2 Cb 0.00 2.57 -0.01 0.00 -1.07 0.00 0.00 68.15 69.65 3a0h h THR 2 CO 0.00 0.81 -1.15 0.40 -0.01 0.00 0.00 175.52 175.58 3a0h h ILE 3 N 0.06 1.15 -0.74 0.00 2.04 -2.02 -3.36 117.51 114.64 3a0h h ILE 3 Ca -0.04 -2.36 -0.00 0.00 1.00 0.00 0.00 64.86 63.45 3a0h h ILE 3 Cb 1.57 2.75 -0.04 0.00 -0.74 0.00 0.00 36.82 40.37 3a0h h ILE 3 CO 0.13 0.62 0.45 0.17 0.00 0.00 0.00 178.15 179.52 3a0h h LEU 4 N -0.53 0.89 0.08 1.44 8.10 -2.03 -3.25 115.31 120.02 3a0h h LEU 4 Ca -0.26 -0.06 0.02 0.00 0.11 0.00 0.00 57.88 57.69 3a0h h LEU 4 Cb 1.57 -0.22 -0.05 0.00 -0.44 0.00 0.00 40.66 41.51 3a0h h LEU 4 CO 0.01 0.69 -0.38 0.15 -4.11 0.00 0.00 178.44 174.80 3a0h h PHE 5 N 1.01 -1.05 -0.24 0.17 3.57 -1.41 -1.99 116.94 117.00 3a0h h PHE 5 Ca 0.27 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.86 3a0h h PHE 5 Cb -0.04 0.45 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 3a0h h PHE 5 CO -0.01 -0.48 0.42 -0.56 -2.23 0.00 0.00 178.31 175.46 3a0h h GLN 6 N -0.59 0.00 0.01 1.11 3.07 -1.70 0.74 115.11 117.75 3a0h h GLN 6 Ca 0.03 0.00 -0.29 0.00 0.09 0.00 0.00 58.65 58.48 3a0h h GLN 6 Cb 0.63 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.14 3a0h h GLN 6 CO -0.24 0.00 -1.70 -0.07 0.09 0.00 0.00 178.83 176.91 3a0h h LEU 7 N 0.00 0.02 -0.23 0.06 3.38 -1.61 -2.98 115.31 113.95 3a0h h LEU 7 Ca 0.11 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3a0h h LEU 7 Cb 0.96 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 3a0h h LEU 7 CO -0.00 1.04 0.05 0.00 0.09 0.00 0.00 178.44 179.61 3a0h h ALA 8 N 0.96 0.31 -0.07 1.53 0.00 0.11 -1.41 119.26 120.70 3a0h h ALA 8 Ca -0.28 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 3a0h h ALA 8 Cb 2.01 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.72 3a0h h ALA 8 CO 0.08 -0.03 -0.45 1.25 0.00 0.00 0.00 179.25 180.11 3a0h h LEU 9 N 0.20 0.51 -1.58 0.00 5.85 -0.95 -3.00 115.31 116.33 3a0h h LEU 9 Ca 0.07 -0.67 0.00 0.00 0.84 0.00 0.00 57.88 58.12 3a0h h LEU 9 Cb 0.30 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3a0h h LEU 9 CO 0.00 1.10 0.00 0.00 -0.34 0.00 0.00 178.44 179.20 3a0h h ALA 10 N 0.42 1.00 0.10 1.25 0.00 -1.53 -1.80 119.26 118.70 3a0h h ALA 10 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3a0h h ALA 10 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3a0h h ALA 10 CO 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 179.25 179.29 3a0h h ALA 11 N 2.07 -0.13 -0.89 0.00 0.00 -1.20 -2.93 119.26 116.18 3a0h h ALA 11 Ca 0.00 -0.27 0.26 0.00 0.00 0.00 0.00 54.91 54.90 3a0h h ALA 11 Cb 0.20 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3a0h h ALA 11 CO 0.00 -0.24 0.71 1.25 0.00 0.00 0.00 179.25 180.97 3a0h h LEU 12 N -0.80 0.00 0.18 0.00 5.85 -1.19 1.00 115.31 120.35 3a0h h LEU 12 Ca -0.01 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.36 3a0h h LEU 12 Cb 0.58 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.62 3a0h h LEU 12 CO 0.02 0.00 -1.73 0.58 -0.34 0.00 0.00 178.44 176.98 3a0h h VAL 13 N 0.00 0.95 0.00 1.05 2.07 -1.50 -2.30 116.25 116.51 3a0h h VAL 13 Ca 0.42 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 65.44 3a0h h VAL 13 Cb 1.83 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 34.37 3a0h h VAL 13 CO -0.00 0.85 0.00 0.40 0.02 0.00 0.00 177.57 178.83 3a0h h ILE 14 N 0.08 0.00 0.10 4.57 2.04 -1.06 -0.12 117.51 123.12 3a0h h ILE 14 Ca -0.34 -0.57 -0.27 0.00 1.00 0.00 0.00 64.86 64.68 3a0h h ILE 14 Cb 2.08 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 39.68 3a0h h ILE 14 CO 0.17 0.00 -1.32 0.25 0.00 0.00 0.00 178.15 177.25 3a0h h LEU 15 N 0.00 0.31 0.21 1.44 6.46 -0.91 -3.00 115.31 119.82 3a0h h LEU 15 Ca 0.00 -0.38 -0.32 0.00 -0.12 0.00 0.00 57.88 57.06 3a0h h LEU 15 Cb 0.60 -0.10 0.03 0.00 -0.73 0.00 0.00 40.66 40.46 3a0h h LEU 15 CO 0.00 1.30 -1.40 0.28 -0.62 0.00 0.00 178.44 178.00 3a0h h SER 16 N 0.05 0.82 -0.57 1.25 0.02 -0.97 0.91 113.55 115.07 3a0h h SER 16 Ca -0.16 -0.85 0.01 0.00 -0.84 0.00 0.00 61.79 59.95 3a0h h SER 16 Cb 1.95 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 64.20 3a0h h SER 16 CO 0.17 1.65 0.38 0.15 -1.14 0.00 0.00 176.83 178.04 3a0h h PHE 17 N 0.18 0.72 0.11 3.45 -0.00 -1.16 0.61 116.94 120.84 3a0h h PHE 17 Ca -0.23 0.02 -0.01 0.00 -0.00 0.00 0.00 57.97 57.75 3a0h h PHE 17 Cb 2.09 -0.24 0.00 0.00 -0.00 0.00 0.00 35.95 37.79 3a0h h PHE 17 CO 0.12 0.45 -0.05 0.28 -0.00 0.00 0.00 178.31 179.11 3a0h h VAL 18 N 0.77 0.00 -1.31 1.41 2.07 -1.45 -2.96 116.25 114.78 3a0h h VAL 18 Ca 0.21 -0.13 0.47 0.00 0.82 0.00 0.00 66.70 68.06 3a0h h VAL 18 Cb -0.09 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.54 3a0h h VAL 18 CO -0.04 0.00 0.83 0.23 0.02 0.00 0.00 177.57 178.60 3a0h n MET 19 N -2.76 -0.04 0.00 1.57 2.81 0.31 -1.26 117.12 117.76 3a0h n MET 19 Ca -0.02 1.28 0.00 0.00 -1.81 0.00 0.00 57.70 57.15 3a0h n MET 19 Cb 0.06 -2.48 0.00 0.00 -0.71 0.00 0.00 33.22 30.09 3a0h n MET 19 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3a0h n VAL 20 N -4.81 0.00 -0.52 2.03 0.31 0.21 -2.95 118.33 112.60 3a0h n VAL 20 Ca 0.40 0.91 0.43 0.00 -0.01 0.00 0.00 64.34 66.07 3a0h n VAL 20 Cb 1.52 -1.75 0.75 0.00 -0.91 0.00 0.00 33.84 33.45 3a0h n VAL 20 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3a0h h ILE 21 N 0.00 0.17 0.00 2.52 2.04 -1.25 -3.15 117.51 117.84 3a0h h ILE 21 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3a0h h ILE 21 Cb 0.00 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 3a0h h ILE 21 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 178.15 178.77 3a0h n GLY 22 N -1.76 -2.33 0.27 5.37 0.00 -0.39 -2.81 105.19 103.54 3a0h n GLY 22 Ca 0.37 0.04 0.19 0.00 0.00 0.00 0.00 46.02 46.61 3a0h n GLY 22 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3a0h n VAL 23 N -0.15 -0.34 0.16 1.61 0.31 -1.15 -0.56 118.33 118.20 3a0h n VAL 23 Ca 0.00 1.73 -0.14 0.00 -0.01 0.00 0.00 64.34 65.93 3a0h n VAL 23 Cb 0.00 -2.66 -0.08 0.00 -0.91 0.00 0.00 33.84 30.20 3a0h n VAL 23 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3a0h h PRO 24 N 0.00 -0.67 -0.73 5.55 0.11 -1.65 -0.97 132.00 133.64 3a0h h PRO 24 Ca 0.59 0.05 0.08 0.00 0.11 0.00 0.00 66.00 66.82 3a0h h PRO 24 Cb 1.40 0.15 -0.05 0.00 0.11 0.00 0.00 31.00 32.61 3a0h h PRO 24 CO -0.70 -0.44 0.48 0.28 -0.21 0.00 0.00 178.00 177.40 3a0h h VAL 25 N -0.69 0.99 0.18 3.15 2.07 -0.66 -2.88 116.25 118.41 3a0h h VAL 25 Ca -0.03 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 3a0h h VAL 25 Cb 0.64 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3a0h h VAL 25 CO -0.14 0.13 -0.21 0.00 0.02 0.00 0.00 177.57 177.36 3a0h h ALA 26 N 1.61 -0.89 0.00 1.67 0.00 -0.11 0.24 119.26 121.78 3a0h h ALA 26 Ca 0.33 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3a0h h ALA 26 Cb 0.34 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3a0h h ALA 26 CO -0.11 -0.91 -0.01 1.88 0.00 0.00 0.00 179.25 180.10 3a0h h TYR 27 N -0.40 0.00 0.16 0.00 0.99 -1.23 -2.14 116.97 114.35 3a0h h TYR 27 Ca -0.02 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.70 3a0h h TYR 27 Cb 0.36 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.09 3a0h h TYR 27 CO -0.18 0.01 -0.08 0.00 -0.00 0.00 0.00 178.16 177.91 3a0h h ALA 28 N 1.99 -0.22 -2.34 3.88 0.00 -1.23 -3.39 119.26 117.95 3a0h h ALA 28 Ca -0.00 -0.22 -0.74 0.00 0.00 0.00 0.00 54.91 53.95 3a0h h ALA 28 Cb 0.05 0.08 -0.22 0.00 0.00 0.00 0.00 17.79 17.71 3a0h h ALA 28 CO 0.00 -0.28 0.37 -1.54 0.00 0.00 0.00 179.25 177.80 3a0h s SER 29 N -5.47 6.62 0.00 0.00 1.04 0.79 -4.90 113.70 111.78 3a0h s SER 29 Ca -0.12 -2.25 0.22 0.00 0.48 0.00 0.00 55.95 54.28 3a0h s SER 29 Cb 0.00 -2.29 1.23 0.00 0.10 0.00 0.00 66.02 65.05 3a0h s SER 29 CO 0.44 -0.84 1.70 -2.65 0.98 0.00 0.00 173.24 172.87 3a0h n PRO 30 N 5.30 0.53 -0.24 4.02 -0.02 -1.25 -3.35 135.00 139.98 3a0h n PRO 30 Ca 0.14 0.04 0.05 0.00 -2.02 0.00 0.00 63.50 61.70 3a0h n PRO 30 Cb 0.47 -1.50 0.29 0.00 -0.02 0.00 0.00 33.50 32.74 3a0h n PRO 30 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 3a0h h GLN 31 N 0.00 0.88 -0.97 -0.52 3.07 -1.90 -2.19 115.11 113.49 3a0h h GLN 31 Ca 0.00 -0.05 -0.59 0.00 0.09 0.00 0.00 58.65 58.10 3a0h h GLN 31 Cb 0.08 -0.20 -0.40 0.00 0.08 0.00 0.00 27.48 27.05 3a0h h GLN 31 CO 0.00 0.58 -0.41 -0.25 0.09 0.00 0.00 178.83 178.85 3a0h n ASP 32 N -4.48 5.53 0.18 0.06 9.92 -1.21 -4.60 116.55 121.95 3a0h n ASP 32 Ca 0.12 -3.76 0.05 0.00 -0.53 0.00 0.00 54.79 50.67 3a0h n ASP 32 Cb 0.19 -0.51 0.32 0.00 -0.64 0.00 0.00 41.12 40.48 3a0h n ASP 32 CO 0.00 0.00 0.00 4.11 0.13 0.00 0.00 177.20 181.44 3a0h h TRP 33 N 2.24 0.00 0.05 1.24 5.08 -1.55 -0.73 115.95 122.29 3a0h h TRP 33 Ca 0.41 0.00 -0.23 0.00 1.08 0.00 0.00 58.89 60.15 3a0h h TRP 33 Cb 1.24 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.39 3a0h h TRP 33 CO 0.97 0.39 -1.08 0.38 -1.28 0.00 0.00 178.44 177.82 3a0h h ASP 34 N 0.00 0.18 0.00 0.11 3.04 -1.81 -3.17 116.42 114.77 3a0h h ASP 34 Ca -0.00 -0.19 -0.44 0.00 -3.24 0.00 0.00 57.03 53.16 3a0h h ASP 34 Cb 0.92 -0.06 -0.07 0.00 -1.04 0.00 0.00 39.33 39.08 3a0h h ASP 34 CO 0.05 1.13 -2.48 -2.11 -2.04 0.00 0.00 179.24 173.80 3a0h n ARG 35 N -3.45 0.57 0.32 4.15 1.85 -1.18 -4.44 116.66 114.48 3a0h n ARG 35 Ca -0.03 0.24 0.20 0.00 -1.00 0.00 0.00 57.85 57.25 3a0h n ARG 35 Cb 0.96 -1.45 1.06 0.00 -1.05 0.00 0.00 32.46 31.98 3a0h n ARG 35 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3a0h h SER 36 N -0.84 0.00 -1.24 2.89 0.87 -1.35 -2.04 113.55 111.85 3a0h h SER 36 Ca -0.66 0.00 0.40 0.00 -1.23 0.00 0.00 61.79 60.30 3a0h h SER 36 Cb 1.62 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 63.46 3a0h h SER 36 CO -0.37 0.01 0.79 0.07 -0.53 0.00 0.00 176.83 176.80 3a0h h LYS 37 N 0.00 0.14 0.00 2.24 2.10 -1.67 0.98 116.57 120.36 3a0h h LYS 37 Ca -0.00 -0.01 -0.16 0.00 -2.00 0.00 0.00 60.65 58.48 3a0h h LYS 37 Cb 0.09 -0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 31.36 3a0h h LYS 37 CO 0.00 0.09 -1.12 0.37 -2.00 0.00 0.00 179.45 176.80 3a0h h GLN 38 N 0.15 0.00 0.00 0.07 5.75 -1.65 -2.89 115.11 116.53 3a0h h GLN 38 Ca 0.78 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.28 3a0h h GLN 38 Cb 2.32 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.87 3a0h h GLN 38 CO -0.42 0.42 0.00 -0.07 -2.65 0.00 0.00 178.83 176.10 3a0h h LEU 39 N 0.00 0.00 0.01 -2.39 3.38 0.80 0.33 115.31 117.44 3a0h h LEU 39 Ca -0.11 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.57 3a0h h LEU 39 Cb 1.56 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.27 3a0h h LEU 39 CO 0.06 0.00 -1.68 0.40 0.09 0.00 0.00 178.44 177.31 3a0h h ILE 40 N 0.00 0.89 0.00 1.22 2.04 -1.02 -3.34 117.51 117.30 3a0h h ILE 40 Ca 0.00 -2.72 0.00 0.00 1.00 0.00 0.00 64.86 63.14 3a0h h ILE 40 Cb 0.47 2.46 0.00 0.00 -0.74 0.00 0.00 36.82 39.01 3a0h h ILE 40 CO 0.00 0.56 -0.77 -0.26 0.00 0.00 0.00 178.15 177.68 3a0h h PHE 41 N 0.01 0.00 0.00 1.37 -1.00 -1.22 -3.22 116.94 112.87 3a0h h PHE 41 Ca -0.28 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.50 3a0h h PHE 41 Cb 2.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.56 3a0h h PHE 41 CO 0.01 0.00 0.00 -0.11 -1.61 0.00 0.00 178.31 176.60 3a0h n LEU 42 N -2.58 0.00 -0.04 1.54 7.94 0.11 -3.32 117.00 120.65 3a0h n LEU 42 Ca 0.01 0.91 -0.09 0.00 -1.11 0.00 0.00 56.01 55.73 3a0h n LEU 42 Cb 0.52 -0.41 -0.02 0.00 0.53 0.00 0.00 43.42 44.04 3a0h n LEU 42 CO 0.38 -0.41 0.88 1.23 -1.11 0.00 0.00 177.39 178.37 3a0h h GLY 43 N 0.00 0.22 0.00 -3.96 0.00 -1.74 -3.17 103.07 94.42 3a0h h GLY 43 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3a0h h GLY 43 CO 0.00 -0.01 0.00 1.44 0.00 0.00 0.00 176.54 177.97 3a0h n SER 44 N -5.09 0.00 -0.12 0.19 7.64 -1.22 0.44 113.62 115.45 3a0h n SER 44 Ca -0.02 0.28 0.04 0.00 1.01 0.00 0.00 58.87 60.18 3a0h n SER 44 Cb 0.09 -0.00 0.35 0.00 -1.01 0.00 0.00 64.21 63.64 3a0h n SER 44 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3a0h h GLY 45 N 0.00 0.83 2.00 0.23 0.00 -1.69 0.45 103.07 104.90 3a0h h GLY 45 Ca 0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 3a0h h GLY 45 CO 0.00 0.26 -0.29 -2.00 0.00 0.00 0.00 176.54 174.52 3a0h h LEU 46 N 0.75 0.00 0.02 3.11 5.85 -0.80 0.83 115.31 125.06 3a0h h LEU 46 Ca 0.24 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 3a0h h LEU 46 Cb 0.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3a0h h LEU 46 CO -0.06 0.29 -0.01 -0.25 -0.34 0.00 0.00 178.44 178.06 3a0h h TRP 47 N 0.00 -0.03 -0.28 1.25 7.01 1.07 0.36 115.95 125.34 3a0h h TRP 47 Ca -0.00 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.05 3a0h h TRP 47 Cb 0.70 0.01 -0.05 0.00 -2.10 0.00 0.00 29.16 27.72 3a0h h TRP 47 CO 0.00 0.15 -0.02 0.82 -2.79 0.00 0.00 178.44 176.59 3a0h h ILE 48 N -1.00 0.77 -0.87 2.65 5.03 -0.14 0.50 117.51 124.45 3a0h h ILE 48 Ca -0.00 -0.02 -0.01 0.00 -0.12 0.00 0.00 64.86 64.71 3a0h h ILE 48 Cb 0.19 0.72 -0.04 0.00 -3.03 0.00 0.00 36.82 34.65 3a0h h ILE 48 CO 0.00 0.01 0.50 0.00 -0.68 0.00 0.00 178.15 177.99 3a0h h ALA 49 N 1.25 1.11 0.00 1.87 0.00 0.58 -0.41 119.26 123.66 3a0h h ALA 49 Ca 0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3a0h h ALA 49 Cb 0.18 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3a0h h ALA 49 CO -0.24 0.60 -0.16 1.25 0.00 0.00 0.00 179.25 180.70 3a0h h LEU 50 N 1.21 0.00 0.05 0.00 6.46 0.23 -0.30 115.31 122.96 3a0h h LEU 50 Ca 0.31 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 58.00 3a0h h LEU 50 Cb -0.01 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 39.93 3a0h h LEU 50 CO -0.05 0.16 -0.30 0.58 -0.62 0.00 0.00 178.44 178.21 3a0h h VAL 51 N 0.00 1.67 0.00 1.05 2.07 0.98 -2.35 116.25 119.67 3a0h h VAL 51 Ca -0.00 -2.36 -0.00 0.00 0.82 0.00 0.00 66.70 65.16 3a0h h VAL 51 Cb 0.43 3.25 -0.00 0.00 -1.52 0.00 0.00 31.29 33.45 3a0h h VAL 51 CO 0.02 0.63 -0.02 -0.07 0.02 0.00 0.00 177.57 178.16 3a0h h LEU 52 N -0.73 0.00 -0.01 2.57 4.07 -0.91 0.25 115.31 120.55 3a0h h LEU 52 Ca -0.05 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.91 3a0h h LEU 52 Cb 1.21 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.95 3a0h h LEU 52 CO 0.06 0.02 -0.01 0.58 -1.08 0.00 0.00 178.44 178.00 3a0h h VAL 53 N 0.00 1.41 0.00 1.22 2.07 -1.01 -0.77 116.25 119.16 3a0h h VAL 53 Ca -0.00 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.30 3a0h h VAL 53 Cb 0.06 2.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 3a0h h VAL 53 CO 0.00 0.32 0.00 0.58 0.02 0.00 0.00 177.57 178.49 3a0h h VAL 54 N -0.49 0.00 0.00 2.57 2.07 -0.71 -2.57 116.25 117.12 3a0h h VAL 54 Ca 0.00 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3a0h h VAL 54 Cb 0.53 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3a0h h VAL 54 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 3a0h n GLY 55 N -1.16 -0.68 0.02 2.17 0.00 -0.03 -0.85 105.19 104.66 3a0h n GLY 55 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.01 3a0h n GLY 55 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3a0h n VAL 56 N 0.00 1.54 -0.03 1.61 0.31 -1.18 -1.87 118.33 118.72 3a0h n VAL 56 Ca 0.00 0.53 -0.13 0.00 -0.01 0.00 0.00 64.34 64.73 3a0h n VAL 56 Cb 0.00 -1.53 -0.11 0.00 -0.91 0.00 0.00 33.84 31.29 3a0h n VAL 56 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3a0h h LEU 57 N 0.00 -0.01 -1.34 7.52 3.38 -1.21 -3.32 115.31 120.34 3a0h h LEU 57 Ca 0.00 -0.66 -0.02 0.00 0.09 0.00 0.00 57.88 57.29 3a0h h LEU 57 Cb 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3a0h h LEU 57 CO 0.00 0.66 0.20 -1.13 0.09 0.00 0.00 178.44 178.25 3a0h h ASN 58 N -0.68 0.58 0.00 -0.43 -1.24 -0.25 -1.24 115.58 112.32 3a0h h ASN 58 Ca -0.00 -0.06 0.00 0.00 0.71 0.00 0.00 56.30 56.95 3a0h h ASN 58 Cb 0.66 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.56 3a0h h ASN 58 CO 0.00 0.52 0.00 0.49 -1.29 0.00 0.00 177.43 177.15 3a0h n PHE 59 N -4.37 0.00 0.00 0.67 3.72 -1.24 -3.26 117.46 112.98 3a0h n PHE 59 Ca 0.03 -0.27 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 3a0h n PHE 59 Cb 0.14 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 3a0h n PHE 59 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3a0h n PHE 60 N 0.46 0.00 0.00 1.38 3.72 -0.47 -4.89 117.46 117.66 3a0h n PHE 60 Ca 0.00 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.45 3a0h n PHE 60 Cb 0.33 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.80 3a0h n PHE 60 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 3a0h n VAL 61 N -0.18 0.00 -1.51 -4.37 3.14 -1.20 -4.88 118.33 109.33 3a0h n VAL 61 Ca 0.00 -0.21 0.00 0.00 -2.96 0.00 0.00 64.34 61.17 3a0h n VAL 61 Cb 0.00 0.29 0.00 0.00 -1.06 0.00 0.00 33.84 33.07 3a0h n VAL 61 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70