#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r1h s LEU 2 N 0.00 4.54 0.68 -3.43 1.43 -1.26 -5.07 118.68 115.58 2r1h s LEU 2 Ca 0.00 1.82 -0.09 0.00 -1.03 0.00 0.00 54.13 54.83 2r1h s LEU 2 Cb 0.00 -3.57 0.03 0.00 0.03 0.00 0.00 46.19 42.68 2r1h s LEU 2 CO 0.00 0.01 1.03 -0.94 0.23 0.00 0.00 176.35 176.68 2r1h s SER 3 N -0.38 5.24 0.22 2.29 1.04 -1.26 -4.90 113.70 115.95 2r1h s SER 3 Ca 0.44 0.82 -0.16 0.00 0.48 0.00 0.00 55.95 57.54 2r1h s SER 3 Cb -0.24 -1.61 0.23 0.00 0.10 0.00 0.00 66.02 64.50 2r1h s SER 3 CO 0.30 -1.38 1.59 0.00 0.98 0.00 0.00 173.24 174.73 2r1h h ALA 4 N -0.55 0.25 -0.47 5.32 0.00 -1.99 -1.12 119.26 120.70 2r1h h ALA 4 Ca -0.45 0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2r1h h ALA 4 Cb 1.28 0.71 -0.02 0.00 0.00 0.00 0.00 17.79 19.76 2r1h h ALA 4 CO 0.62 -0.54 0.15 -0.22 0.00 0.00 0.00 179.25 179.26 2r1h h LYS 5 N -0.07 0.68 -0.42 0.00 1.63 -1.99 -0.50 116.57 115.91 2r1h h LYS 5 Ca 0.31 -0.11 -0.02 0.00 -0.85 0.00 0.00 60.65 59.98 2r1h h LYS 5 Cb 0.56 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.05 2r1h h LYS 5 CO -0.77 0.60 0.20 -0.44 -3.45 0.00 0.00 179.45 175.59 2r1h h ASP 6 N 0.67 0.55 -0.14 4.20 3.32 -1.76 -1.78 116.42 121.48 2r1h h ASP 6 Ca 0.16 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 2r1h h ASP 6 Cb 0.20 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2r1h h ASP 6 CO -0.01 0.53 0.06 0.11 -1.72 0.00 0.00 179.24 178.21 2r1h h LYS 7 N 0.54 0.20 -0.63 3.56 1.57 -0.30 -0.25 116.57 121.26 2r1h h LYS 7 Ca 0.14 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.95 2r1h h LYS 7 Cb 0.12 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 2r1h h LYS 7 CO -0.02 0.26 0.41 0.00 -0.57 0.00 0.00 179.45 179.54 2r1h h ALA 8 N 0.92 1.76 -0.11 3.86 0.00 -1.14 -1.26 119.26 123.30 2r1h h ALA 8 Ca 0.05 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2r1h h ALA 8 Cb 0.13 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2r1h h ALA 8 CO -0.01 0.14 -0.07 -0.91 0.00 0.00 0.00 179.25 178.41 2r1h h ASN 9 N 0.65 0.26 -0.06 0.00 2.35 -0.76 -2.31 115.58 115.71 2r1h h ASN 9 Ca 0.27 -0.44 0.02 0.00 -0.55 0.00 0.00 56.30 55.60 2r1h h ASN 9 Cb 0.23 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 2r1h h ASN 9 CO -0.08 0.64 -0.09 0.58 -1.65 0.00 0.00 177.43 176.84 2r1h h VAL 10 N -0.12 0.76 -0.69 2.81 2.07 -0.75 -2.24 116.25 118.09 2r1h h VAL 10 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.55 2r1h h VAL 10 Cb 0.55 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 2r1h h VAL 10 CO 0.02 0.00 0.44 0.11 0.02 0.00 0.00 177.57 178.16 2r1h h LYS 11 N -0.12 0.92 0.10 1.57 1.57 -1.24 -0.94 116.57 118.42 2r1h h LYS 11 Ca 0.06 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2r1h h LYS 11 Cb 0.20 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2r1h h LYS 11 CO -0.14 0.63 -0.15 0.00 -0.57 0.00 0.00 179.45 179.22 2r1h h ALA 12 N 1.24 -0.25 -0.67 3.86 0.00 -1.25 -1.92 119.26 120.26 2r1h h ALA 12 Ca 0.25 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 2r1h h ALA 12 Cb -0.07 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2r1h h ALA 12 CO -0.05 -0.67 0.19 0.97 0.00 0.00 0.00 179.25 179.69 2r1h h ILE 13 N -0.30 1.25 -0.00 0.00 6.09 -1.27 -1.87 117.51 121.41 2r1h h ILE 13 Ca 0.02 -0.89 0.00 0.00 -1.37 0.00 0.00 64.86 62.62 2r1h h ILE 13 Cb 0.31 0.53 -0.00 0.00 0.47 0.00 0.00 36.82 38.13 2r1h h ILE 13 CO -0.07 0.34 0.01 -0.50 -3.07 0.00 0.00 178.15 174.86 2r1h h TRP 14 N 0.99 0.00 -0.61 2.19 6.55 -0.91 0.11 115.95 124.28 2r1h h TRP 14 Ca 0.22 0.00 0.05 0.00 0.95 0.00 0.00 58.89 60.10 2r1h h TRP 14 Cb 0.31 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 28.58 2r1h h TRP 14 CO 0.02 0.00 0.40 0.78 -1.05 0.00 0.00 178.44 178.59 2r1h h GLY 15 N 0.00 0.77 1.13 1.49 0.00 -0.53 -0.46 103.07 105.47 2r1h h GLY 15 Ca 0.00 -0.26 -0.31 0.00 0.00 0.00 0.00 47.33 46.77 2r1h h GLY 15 CO -0.00 0.21 -1.61 0.50 0.00 0.00 0.00 176.54 175.64 2r1h h LYS 16 N 0.65 0.19 -0.26 4.80 1.79 -0.89 -3.38 116.57 119.47 2r1h h LYS 16 Ca 0.25 -0.33 -0.11 0.00 -2.18 0.00 0.00 60.65 58.28 2r1h h LYS 16 Cb 0.18 0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 30.95 2r1h h LYS 16 CO -0.07 1.01 -0.28 0.82 -1.08 0.00 0.00 179.45 179.85 2r1h h ILE 17 N 0.05 1.31 -0.40 1.86 2.04 -0.96 -3.35 117.51 118.06 2r1h h ILE 17 Ca -0.27 -1.45 0.08 0.00 1.00 0.00 0.00 64.86 64.23 2r1h h ILE 17 Cb 2.01 1.65 -0.08 0.00 -0.74 0.00 0.00 36.82 39.66 2r1h h ILE 17 CO 0.13 0.46 -0.12 -0.07 0.00 0.00 0.00 178.15 178.55 2r1h h LEU 18 N 0.37 -0.42 -2.13 1.44 3.38 -1.27 0.19 115.31 116.87 2r1h h LEU 18 Ca 0.04 0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.21 2r1h h LEU 18 Cb 0.84 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2r1h h LEU 18 CO 0.07 -0.15 0.29 -0.65 0.09 0.00 0.00 178.44 178.08 2r1h h PRO 19 N -0.02 0.00 -0.31 1.13 0.11 -1.79 -1.14 132.00 129.98 2r1h h PRO 19 Ca 0.19 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 2r1h h PRO 19 Cb 0.32 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 2r1h h PRO 19 CO -0.42 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.00 2r1h n LYS 20 N -3.81 3.14 -0.15 1.05 5.02 0.54 -4.84 118.16 119.12 2r1h n LYS 20 Ca 0.04 -2.90 -0.03 0.00 -2.02 0.00 0.00 58.31 53.40 2r1h n LYS 20 Cb 0.43 -1.91 0.05 0.00 -0.02 0.00 0.00 35.03 33.59 2r1h n LYS 20 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2r1h h SER 21 N 2.05 -0.14 -0.84 4.39 0.87 0.07 -0.19 113.55 119.77 2r1h h SER 21 Ca 0.01 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 2r1h h SER 21 Cb 1.53 0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 63.63 2r1h h SER 21 CO 0.27 -0.04 0.46 0.44 -0.53 0.00 0.00 176.83 177.43 2r1h h ASP 22 N 0.15 1.05 -0.25 6.23 5.19 -1.88 -0.65 116.42 126.25 2r1h h ASP 22 Ca 0.24 -0.10 -0.15 0.00 -0.62 0.00 0.00 57.03 56.40 2r1h h ASP 22 Cb 0.34 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.59 2r1h h ASP 22 CO -0.37 0.85 -0.43 -0.08 -3.12 0.00 0.00 179.24 176.09 2r1h h GLU 23 N 1.17 0.73 -0.84 3.56 4.81 -1.72 -1.57 114.58 120.70 2r1h h GLU 23 Ca 0.29 -0.45 -0.02 0.00 -0.13 0.00 0.00 59.36 59.05 2r1h h GLU 23 Cb 0.03 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 2r1h h GLU 23 CO -0.05 1.08 0.44 0.82 -0.73 0.00 0.00 179.01 180.57 2r1h h ILE 24 N 0.46 1.25 -0.39 2.32 2.04 -0.84 -0.02 117.51 122.33 2r1h h ILE 24 Ca 0.02 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.18 2r1h h ILE 24 Cb 1.03 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 2r1h h ILE 24 CO 0.10 0.29 0.10 1.23 0.00 0.00 0.00 178.15 179.87 2r1h h GLY 25 N 1.18 0.67 0.99 5.37 0.00 -0.96 0.40 103.07 110.72 2r1h h GLY 25 Ca 0.29 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 2r1h h GLY 25 CO -0.04 0.39 0.31 -2.09 0.00 0.00 0.00 176.54 175.11 2r1h h GLU 26 N 0.49 0.72 -0.50 4.80 4.22 -0.99 -1.63 114.58 121.69 2r1h h GLU 26 Ca 0.12 -0.07 -0.03 0.00 0.08 0.00 0.00 59.36 59.47 2r1h h GLU 26 Cb 0.30 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2r1h h GLU 26 CO 0.00 0.53 0.20 1.96 -2.18 0.00 0.00 179.01 179.53 2r1h h GLN 27 N 0.70 0.74 -0.08 1.92 1.08 -0.68 -0.27 115.11 118.52 2r1h h GLN 27 Ca 0.19 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 2r1h h GLN 27 Cb 0.01 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.31 2r1h h GLN 27 CO -0.03 0.65 0.01 0.00 -0.95 0.00 0.00 178.83 178.52 2r1h h ALA 28 N 1.05 0.10 -0.40 3.87 0.00 -0.71 -1.91 119.26 121.27 2r1h h ALA 28 Ca 0.17 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2r1h h ALA 28 Cb 0.19 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2r1h h ALA 28 CO -0.01 -0.26 0.10 1.25 0.00 0.00 0.00 179.25 180.32 2r1h h LEU 29 N -0.10 0.60 -0.56 0.00 5.85 -1.26 -1.37 115.31 118.46 2r1h h LEU 29 Ca 0.02 -0.23 0.09 0.00 0.84 0.00 0.00 57.88 58.60 2r1h h LEU 29 Cb 0.27 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.07 2r1h h LEU 29 CO 0.00 0.67 0.18 0.28 -0.34 0.00 0.00 178.44 179.23 2r1h h SER 30 N 0.50 0.14 -0.52 1.25 0.02 -1.00 -1.20 113.55 112.74 2r1h h SER 30 Ca 0.12 0.08 -0.11 0.00 -0.84 0.00 0.00 61.79 61.05 2r1h h SER 30 Cb 0.30 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 2r1h h SER 30 CO 0.00 0.10 -0.08 0.03 -1.14 0.00 0.00 176.83 175.74 2r1h h ARG 31 N 0.34 1.00 -0.46 3.45 3.08 -1.21 -1.73 114.38 118.85 2r1h h ARG 31 Ca 0.28 -0.35 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 2r1h h ARG 31 Cb 0.35 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 2r1h h ARG 31 CO -0.31 1.03 0.27 1.98 -1.07 0.00 0.00 179.97 181.87 2r1h h MET 32 N 0.90 0.63 -0.37 0.04 4.05 -0.91 -0.21 114.93 119.06 2r1h h MET 32 Ca 0.15 -0.06 -0.04 0.00 -0.28 0.00 0.00 59.70 59.46 2r1h h MET 32 Cb 0.63 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.29 2r1h h MET 32 CO 0.04 0.48 0.08 -0.07 0.23 0.00 0.00 176.91 177.67 2r1h h LEU 33 N 0.61 0.57 0.20 3.39 3.38 -1.07 -1.76 115.31 120.63 2r1h h LEU 33 Ca 0.16 -0.24 -0.26 0.00 0.09 0.00 0.00 57.88 57.64 2r1h h LEU 33 Cb 0.02 -0.15 0.03 0.00 0.09 0.00 0.00 40.66 40.64 2r1h h LEU 33 CO -0.03 0.67 -1.12 0.58 0.09 0.00 0.00 178.44 178.63 2r1h h VAL 34 N 0.46 1.41 0.06 1.22 2.07 -1.25 -3.16 116.25 117.06 2r1h h VAL 34 Ca 0.12 -2.61 -0.25 0.00 0.82 0.00 0.00 66.70 64.77 2r1h h VAL 34 Cb 0.32 3.14 -0.02 0.00 -1.52 0.00 0.00 31.29 33.21 2r1h h VAL 34 CO 0.00 0.76 -1.21 0.58 0.02 0.00 0.00 177.57 177.72 2r1h h VAL 35 N -0.14 1.50 -2.13 2.57 2.07 -1.14 -3.37 116.25 115.62 2r1h h VAL 35 Ca -0.20 -3.16 -0.59 0.00 0.82 0.00 0.00 66.70 63.58 2r1h h VAL 35 Cb 1.89 2.84 -0.41 0.00 -1.52 0.00 0.00 31.29 34.09 2r1h h VAL 35 CO 0.21 0.89 -0.76 -1.22 0.02 0.00 0.00 177.57 176.71 2r1h n TYR 36 N -3.41 2.38 0.16 1.57 4.01 -0.66 -4.96 117.16 116.25 2r1h n TYR 36 Ca -0.07 -3.97 0.05 0.00 -0.16 0.00 0.00 57.90 53.76 2r1h n TYR 36 Cb 0.99 -0.49 0.26 0.00 -0.31 0.00 0.00 39.34 39.80 2r1h n TYR 36 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2r1h n PRO 37 N 1.01 0.06 -0.03 -0.72 -0.04 -1.19 -1.44 135.00 132.64 2r1h n PRO 37 Ca 0.27 0.50 0.22 0.00 -0.04 0.00 0.00 63.50 64.45 2r1h n PRO 37 Cb 0.45 -1.67 0.70 0.00 -0.04 0.00 0.00 33.50 32.94 2r1h n PRO 37 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2r1h h GLN 38 N 0.00 0.00 0.00 0.54 -0.00 -1.89 -1.54 115.11 112.22 2r1h h GLN 38 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2r1h h GLN 38 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.55 2r1h h GLN 38 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 178.83 180.62 2r1h h THR 39 N 0.00 0.00 0.00 1.86 1.35 -1.54 -3.21 112.91 111.38 2r1h h THR 39 Ca 0.29 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2r1h h THR 39 Cb 1.16 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 2r1h h THR 39 CO -0.00 0.00 0.05 0.11 -0.25 0.00 0.00 175.52 175.43 2r1h h LYS 40 N 0.00 0.00 -0.42 4.72 1.57 -1.48 -2.84 116.57 118.11 2r1h h LYS 40 Ca 0.00 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.90 2r1h h LYS 40 Cb 0.76 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 2r1h h LYS 40 CO 0.00 0.00 0.36 0.00 -0.57 0.00 0.00 179.45 179.24 2r1h h ALA 41 N 1.89 2.24 -0.02 3.86 0.00 -1.74 -1.42 119.26 124.08 2r1h h ALA 41 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2r1h h ALA 41 Cb 0.10 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2r1h h ALA 41 CO 0.00 -0.58 -0.16 0.66 0.00 0.00 0.00 179.25 179.17 2r1h n TYR 42 N -4.06 0.00 -0.98 0.00 4.01 -1.07 -4.42 117.16 110.64 2r1h n TYR 42 Ca 0.07 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.85 2r1h n TYR 42 Cb 0.55 -0.04 0.05 0.00 -0.31 0.00 0.00 39.34 39.60 2r1h n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2r1h n PHE 43 N 0.09 0.00 0.40 -0.72 3.72 -0.54 -4.75 117.46 115.67 2r1h n PHE 43 Ca 0.14 -0.51 0.13 0.00 -0.05 0.00 0.00 57.45 57.16 2r1h n PHE 43 Cb 0.41 -0.08 0.50 0.00 -0.94 0.00 0.00 39.48 39.38 2r1h n PHE 43 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2r1h h SER 44 N 0.00 0.00 0.86 4.37 4.64 -1.76 -0.88 113.55 120.78 2r1h h SER 44 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2r1h h SER 44 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2r1h h SER 44 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2r1h n HIS 45 N -2.34 0.26 -1.98 4.77 1.44 -1.26 -4.81 115.22 111.29 2r1h n HIS 45 Ca 0.02 0.09 -0.33 0.00 -2.01 0.00 0.00 57.72 55.49 2r1h n HIS 45 Cb 0.26 -0.64 0.02 0.00 0.12 0.00 0.00 29.99 29.74 2r1h n HIS 45 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2r1h s TRP 46 N -3.06 2.83 0.42 -1.40 0.51 -0.34 -4.95 118.94 112.95 2r1h s TRP 46 Ca 0.10 1.53 0.09 0.00 -2.12 0.00 0.00 56.10 55.70 2r1h s TRP 46 Cb 0.13 -3.09 0.90 0.00 -0.81 0.00 0.00 33.47 30.60 2r1h s TRP 46 CO 0.43 -1.35 2.04 0.00 -0.51 0.00 0.00 176.95 177.56 2r1h h ALA 47 N 0.41 1.70 -2.29 0.98 0.00 -1.88 -3.45 119.26 114.73 2r1h h ALA 47 Ca -0.47 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.28 2r1h h ALA 47 Cb 1.23 -0.12 -0.20 0.00 0.00 0.00 0.00 17.79 18.70 2r1h h ALA 47 CO 0.56 0.25 -0.06 0.45 0.00 0.00 0.00 179.25 180.45 2r1h s SER 48 N -6.80 -0.44 -0.15 0.00 0.15 -1.26 -5.03 113.70 100.17 2r1h s SER 48 Ca -0.07 0.50 0.18 0.00 0.70 0.00 0.00 55.95 57.26 2r1h s SER 48 Cb 0.17 0.53 0.37 0.00 -1.71 0.00 0.00 66.02 65.38 2r1h s SER 48 CO 0.72 -0.47 1.24 1.33 1.20 0.00 0.00 173.24 177.26 2r1h n VAL 49 N 1.37 2.04 -2.68 4.45 0.24 -1.26 -4.50 118.33 117.98 2r1h n VAL 49 Ca -0.19 -2.20 -0.35 0.00 -2.04 0.00 0.00 64.34 59.56 2r1h n VAL 49 Cb 0.56 -0.25 -0.05 0.00 -1.47 0.00 0.00 33.84 32.63 2r1h n VAL 49 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2r1h s ALA 50 N -2.89 3.08 0.26 2.33 0.00 -1.26 -4.80 121.76 118.49 2r1h s ALA 50 Ca 0.36 0.56 -0.31 0.00 0.00 0.00 0.00 51.96 52.57 2r1h s ALA 50 Cb 0.30 -3.21 -0.13 0.00 0.00 0.00 0.00 23.12 20.09 2r1h s ALA 50 CO 0.04 -0.03 1.51 -2.30 0.00 0.00 0.00 175.76 174.99 2r1h n PRO 51 N -0.18 2.38 -0.87 0.00 -0.02 -1.26 -1.56 135.00 133.49 2r1h n PRO 51 Ca 0.05 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 2r1h n PRO 51 Cb 0.51 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 2r1h n PRO 51 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r1h n GLY 52 N 2.26 0.51 3.67 -1.23 0.00 -1.26 -5.01 105.19 104.12 2r1h n GLY 52 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 2r1h n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2r1h s SER 53 N -2.41 2.96 0.15 1.61 1.04 -0.60 -4.69 113.70 111.76 2r1h s SER 53 Ca 0.00 1.83 -0.17 0.00 0.48 0.00 0.00 55.95 58.09 2r1h s SER 53 Cb 0.00 -2.42 0.01 0.00 0.10 0.00 0.00 66.02 63.71 2r1h s SER 53 CO 0.00 -3.02 1.80 0.00 0.98 0.00 0.00 173.24 173.00 2r1h h ALA 54 N -1.81 0.44 -0.73 5.32 0.00 -1.93 0.29 119.26 120.85 2r1h h ALA 54 Ca -0.48 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 2r1h h ALA 54 Cb 1.28 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 2r1h h ALA 54 CO 0.48 -0.13 0.31 -1.35 0.00 0.00 0.00 179.25 178.56 2r1h h PRO 55 N 0.44 1.07 -0.38 0.00 0.11 -1.93 -0.74 132.00 130.58 2r1h h PRO 55 Ca 0.13 -0.17 -0.11 0.00 0.11 0.00 0.00 66.00 65.97 2r1h h PRO 55 Cb -0.02 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 30.90 2r1h h PRO 55 CO -0.05 0.85 -0.18 0.28 -0.21 0.00 0.00 178.00 178.70 2r1h h VAL 56 N 1.05 1.28 -0.37 3.15 2.07 -1.68 -1.70 116.25 120.05 2r1h h VAL 56 Ca 0.25 -1.30 0.03 0.00 0.82 0.00 0.00 66.70 66.49 2r1h h VAL 56 Cb 0.17 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 2r1h h VAL 56 CO -0.02 0.43 0.18 0.11 0.02 0.00 0.00 177.57 178.29 2r1h h LYS 57 N 0.58 0.37 -0.16 1.57 1.57 -0.25 0.66 116.57 120.91 2r1h h LYS 57 Ca 0.08 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2r1h h LYS 57 Cb 0.72 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 2r1h h LYS 57 CO 0.05 0.24 0.09 -0.22 -0.57 0.00 0.00 179.45 179.05 2r1h h LYS 58 N 0.38 0.22 -0.08 3.15 3.64 -1.03 -2.48 116.57 120.36 2r1h h LYS 58 Ca 0.16 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.32 2r1h h LYS 58 Cb 0.07 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2r1h h LYS 58 CO -0.11 0.21 -0.75 1.25 -2.27 0.00 0.00 179.45 177.78 2r1h h HIS 59 N 0.18 0.63 -0.83 1.91 2.76 -1.27 -2.71 115.15 115.81 2r1h h HIS 59 Ca 0.06 -0.28 0.16 0.00 -2.20 0.00 0.00 60.37 58.11 2r1h h HIS 59 Cb 0.04 -0.09 -0.10 0.00 1.55 0.00 0.00 27.41 28.81 2r1h h HIS 59 CO -0.05 1.05 0.39 0.78 -1.30 0.00 0.00 177.93 178.80 2r1h h GLY 60 N 1.18 1.35 0.92 5.26 0.00 -0.71 -0.75 103.07 110.30 2r1h h GLY 60 Ca -0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 2r1h h GLY 60 CO 0.13 -0.10 0.11 -2.22 0.00 0.00 0.00 176.54 174.46 2r1h h ILE 61 N 0.53 1.20 -0.36 2.60 2.04 -1.31 -1.32 117.51 120.89 2r1h h ILE 61 Ca 0.47 -0.65 0.06 0.00 1.00 0.00 0.00 64.86 65.73 2r1h h ILE 61 Cb 0.73 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.77 2r1h h ILE 61 CO -0.41 0.22 0.06 0.74 0.00 0.00 0.00 178.15 178.76 2r1h h THR 62 N 0.39 0.80 0.47 -0.27 2.02 -1.07 0.24 112.91 115.48 2r1h h THR 62 Ca 0.11 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 2r1h h THR 62 Cb 0.24 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 2r1h h THR 62 CO -0.00 0.03 -0.22 0.40 0.37 0.00 0.00 175.52 176.09 2r1h h ILE 63 N 0.18 0.54 -0.84 3.11 2.04 -1.04 -2.79 117.51 118.71 2r1h h ILE 63 Ca 0.17 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 2r1h h ILE 63 Cb 0.21 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 2r1h h ILE 63 CO -0.24 0.02 0.43 0.24 0.00 0.00 0.00 178.15 178.60 2r1h h MET 64 N -0.70 1.19 -0.61 2.37 2.86 -0.98 -1.30 114.93 117.77 2r1h h MET 64 Ca -0.06 -0.16 0.12 0.00 -2.06 0.00 0.00 59.70 57.54 2r1h h MET 64 Cb 0.52 -0.22 -0.09 0.00 0.06 0.00 0.00 31.60 31.86 2r1h h MET 64 CO 0.10 0.89 0.09 -0.91 1.06 0.00 0.00 176.91 178.15 2r1h h ASN 65 N 1.18 -0.08 -0.32 1.22 4.21 -0.52 0.35 115.58 121.62 2r1h h ASN 65 Ca 0.29 0.13 -0.02 0.00 1.21 0.00 0.00 56.30 57.91 2r1h h ASN 65 Cb 0.07 0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 37.45 2r1h h ASN 65 CO -0.04 -0.03 0.14 -0.61 -1.29 0.00 0.00 177.43 175.59 2r1h h GLN 66 N 0.21 0.47 -0.56 0.81 5.75 -1.05 -1.89 115.11 118.85 2r1h h GLN 66 Ca 0.32 -0.08 -0.09 0.00 -0.15 0.00 0.00 58.65 58.65 2r1h h GLN 66 Cb 0.50 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.95 2r1h h GLN 66 CO -0.44 0.46 -0.02 0.82 -2.65 0.00 0.00 178.83 177.00 2r1h h ILE 67 N 0.37 1.26 -0.84 2.39 2.04 -0.65 -1.26 117.51 120.81 2r1h h ILE 67 Ca 0.11 -1.14 0.07 0.00 1.00 0.00 0.00 64.86 64.90 2r1h h ILE 67 Cb 0.16 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 37.03 2r1h h ILE 67 CO -0.01 0.41 0.51 0.44 0.00 0.00 0.00 178.15 179.50 2r1h h ASP 68 N 0.89 0.79 0.09 1.72 3.32 -0.17 -1.39 116.42 121.68 2r1h h ASP 68 Ca 0.16 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.14 2r1h h ASP 68 Cb 0.55 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 2r1h h ASP 68 CO 0.03 0.49 -0.31 0.44 -1.72 0.00 0.00 179.24 178.17 2r1h h ASP 69 N 0.92 0.33 -0.18 6.45 3.32 -0.67 -2.69 116.42 123.90 2r1h h ASP 69 Ca 0.38 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 2r1h h ASP 69 Cb 0.22 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 2r1h h ASP 69 CO -0.19 0.63 0.02 0.00 -1.72 0.00 0.00 179.24 177.98 2r1h h VAL 71 N 0.41 0.85 -0.23 0.00 2.07 -1.10 0.33 116.25 118.59 2r1h h VAL 71 Ca 0.09 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2r1h h VAL 71 Cb 0.25 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2r1h h VAL 71 CO 0.00 0.04 0.00 0.61 0.02 0.00 0.00 177.57 178.24 2r1h n GLY 72 N -1.56 0.48 1.54 2.17 0.00 -0.92 -4.15 105.19 102.75 2r1h n GLY 72 Ca 0.08 -0.26 0.04 0.00 0.00 0.00 0.00 46.02 45.88 2r1h n GLY 72 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2r1h n HIS 73 N 0.19 0.07 0.89 1.61 8.25 0.11 -4.88 115.22 121.47 2r1h n HIS 73 Ca 0.08 -0.63 0.13 0.00 -0.26 0.00 0.00 57.72 57.05 2r1h n HIS 73 Cb 0.27 -0.16 0.51 0.00 1.12 0.00 0.00 29.99 31.73 2r1h n HIS 73 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2r1h n MET 74 N 0.38 0.08 0.24 -0.41 2.81 -1.19 -1.86 117.12 117.17 2r1h n MET 74 Ca 0.07 0.06 0.14 0.00 -1.81 0.00 0.00 57.70 56.15 2r1h n MET 74 Cb 1.11 -1.59 0.46 0.00 -0.71 0.00 0.00 33.22 32.50 2r1h n MET 74 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2r1h h ASP 75 N 0.00 0.00 -0.56 7.83 3.32 -1.91 -3.40 116.42 121.70 2r1h h ASP 75 Ca 0.00 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.80 2r1h h ASP 75 Cb 0.57 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.94 2r1h h ASP 75 CO 0.00 0.07 -0.58 -0.67 -1.72 0.00 0.00 179.24 176.35 2r1h n ASP 76 N -3.16 -2.62 -0.06 6.45 4.64 -0.78 -5.02 116.55 116.01 2r1h n ASP 76 Ca 0.02 -3.11 -0.05 0.00 -1.38 0.00 0.00 54.79 50.27 2r1h n ASP 76 Cb 0.42 1.46 0.16 0.00 -1.04 0.00 0.00 41.12 42.12 2r1h n ASP 76 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 2r1h h LEU 77 N 4.32 0.67 -0.01 -2.67 3.38 -1.69 -2.23 115.31 117.07 2r1h h LEU 77 Ca -0.06 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 2r1h h LEU 77 Cb 1.03 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 2r1h h LEU 77 CO 0.27 0.83 0.00 -0.26 0.09 0.00 0.00 178.44 179.37 2r1h h PHE 78 N 0.61 0.01 -0.11 1.13 -1.00 -1.91 0.22 116.94 115.89 2r1h h PHE 78 Ca 0.10 -0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.91 2r1h h PHE 78 Cb 0.59 -0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.12 2r1h h PHE 78 CO 0.03 0.11 -0.06 0.78 -1.61 0.00 0.00 178.31 177.55 2r1h h GLY 79 N -0.09 0.03 0.62 -1.45 0.00 -1.96 -2.30 103.07 97.93 2r1h h GLY 79 Ca 0.00 0.08 0.11 0.00 0.00 0.00 0.00 47.33 47.52 2r1h h GLY 79 CO -0.00 -0.08 0.59 -2.75 0.00 0.00 0.00 176.54 174.30 2r1h h PHE 80 N -0.06 0.98 -0.02 5.60 3.57 -1.18 -2.99 116.94 122.83 2r1h h PHE 80 Ca 0.07 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.59 2r1h h PHE 80 Cb 0.16 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.59 2r1h h PHE 80 CO -0.19 0.42 -0.02 1.28 -2.23 0.00 0.00 178.31 177.57 2r1h n LEU 81 N -4.56 2.27 -0.23 0.59 4.77 0.05 -4.60 117.00 115.30 2r1h n LEU 81 Ca 0.17 -0.76 0.02 0.00 -0.03 0.00 0.00 56.01 55.41 2r1h n LEU 81 Cb 0.35 -0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.54 2r1h n LEU 81 CO 0.30 0.38 0.80 0.74 -1.33 0.00 0.00 177.39 178.28 2r1h h THR 82 N 3.53 0.40 -0.41 -5.08 2.02 -1.26 0.44 112.91 112.54 2r1h h THR 82 Ca 0.00 -0.02 -0.11 0.00 0.77 0.00 0.00 66.41 67.04 2r1h h THR 82 Cb 0.76 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 2r1h h THR 82 CO 0.00 0.01 -0.19 0.11 0.37 0.00 0.00 175.52 175.83 2r1h h LYS 83 N 0.07 0.85 -0.35 6.66 1.57 -1.84 -0.79 116.57 122.74 2r1h h LYS 83 Ca 0.35 -0.37 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 2r1h h LYS 83 Cb 0.57 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 2r1h h LYS 83 CO -0.62 1.01 -0.16 1.25 -0.57 0.00 0.00 179.45 180.36 2r1h h LEU 84 N 0.67 0.63 -0.07 2.94 5.85 -1.64 -1.49 115.31 122.20 2r1h h LEU 84 Ca 0.09 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 2r1h h LEU 84 Cb 0.74 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.60 2r1h h LEU 84 CO 0.06 0.80 0.04 -1.28 -0.34 0.00 0.00 178.44 177.72 2r1h h SER 85 N 0.58 0.08 -0.66 1.25 0.87 0.21 -2.00 113.55 113.88 2r1h h SER 85 Ca 0.10 -0.07 0.11 0.00 -1.23 0.00 0.00 61.79 60.70 2r1h h SER 85 Cb 0.60 -0.02 -0.08 0.00 -0.44 0.00 0.00 62.40 62.45 2r1h h SER 85 CO 0.04 0.13 0.24 -0.33 -0.53 0.00 0.00 176.83 176.38 2r1h h GLU 86 N 0.03 0.39 -0.27 2.24 5.08 -0.99 -0.98 114.58 120.07 2r1h h GLU 86 Ca 0.02 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2r1h h GLU 86 Cb 0.06 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2r1h h GLU 86 CO -0.00 0.26 0.13 1.25 -1.00 0.00 0.00 179.01 179.64 2r1h h LEU 87 N 0.40 0.36 -1.17 1.33 5.85 -1.09 -0.09 115.31 120.90 2r1h h LEU 87 Ca 0.35 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 2r1h h LEU 87 Cb 0.48 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 2r1h h LEU 87 CO -0.36 0.39 -0.08 0.45 -0.34 0.00 0.00 178.44 178.51 2r1h h HIS 88 N 0.31 0.51 0.01 1.25 3.86 -1.12 -0.76 115.15 119.20 2r1h h HIS 88 Ca 0.09 -0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 59.20 2r1h h HIS 88 Cb 0.13 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.46 2r1h h HIS 88 CO -0.02 0.55 -0.14 0.00 0.86 0.00 0.00 177.93 179.18 2r1h h ALA 89 N 1.47 0.01 0.03 2.45 0.00 -0.89 0.30 119.26 122.62 2r1h h ALA 89 Ca 0.09 -0.46 -0.33 0.00 0.00 0.00 0.00 54.91 54.21 2r1h h ALA 89 Cb 0.42 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2r1h h ALA 89 CO 0.02 0.02 -1.81 2.41 0.00 0.00 0.00 179.25 179.89 2r1h n THR 90 N -4.58 1.58 0.00 0.00 -1.04 -0.07 -3.40 114.28 106.78 2r1h n THR 90 Ca -0.10 -0.28 -0.22 0.00 -2.04 0.00 0.00 64.05 61.41 2r1h n THR 90 Cb 0.47 -1.89 -0.14 0.00 -1.82 0.00 0.00 70.33 66.96 2r1h n THR 90 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2r1h h LYS 91 N -0.69 0.25 0.00 -2.82 3.64 -1.53 -3.39 116.57 112.02 2r1h h LYS 91 Ca -0.47 -0.42 -0.26 0.00 -1.27 0.00 0.00 60.65 58.24 2r1h h LYS 91 Cb 1.58 0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 33.51 2r1h h LYS 91 CO -0.19 1.20 -1.85 1.28 -2.27 0.00 0.00 179.45 177.62 2r1h n LEU 92 N -3.82 0.54 -3.65 5.20 4.77 -0.35 -5.00 117.00 114.69 2r1h n LEU 92 Ca -0.27 0.25 -0.21 0.00 -0.03 0.00 0.00 56.01 55.74 2r1h n LEU 92 Cb 0.94 0.23 0.04 0.00 -2.33 0.00 0.00 43.42 42.30 2r1h n LEU 92 CO 0.41 0.32 -0.04 0.54 -1.33 0.00 0.00 177.39 177.28 2r1h n ARG 93 N -2.85 -4.88 -2.99 3.23 1.74 0.98 -4.96 116.66 106.94 2r1h n ARG 93 Ca -0.19 0.65 -0.41 0.00 -0.77 0.00 0.00 57.85 57.14 2r1h n ARG 93 Cb 0.98 -5.25 -0.05 0.00 -1.02 0.00 0.00 32.46 27.13 2r1h n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2r1h s VAL 94 N -3.61 4.95 -0.09 1.55 1.01 -0.85 -5.01 120.40 118.35 2r1h s VAL 94 Ca 0.04 1.44 -0.33 0.00 0.00 0.00 0.00 61.98 63.13 2r1h s VAL 94 Cb -0.01 -4.05 -0.11 0.00 0.00 0.00 0.00 36.38 32.21 2r1h s VAL 94 CO 0.80 0.09 1.95 -0.67 0.00 0.00 0.00 175.10 177.26 2r1h n ASP 95 N 4.96 3.52 0.13 3.32 -0.08 -1.26 -4.82 116.55 122.32 2r1h n ASP 95 Ca 0.02 0.87 0.10 0.00 -1.51 0.00 0.00 54.79 54.27 2r1h n ASP 95 Cb 0.49 -1.41 0.50 0.00 2.34 0.00 0.00 41.12 43.04 2r1h n ASP 95 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2r1h n PRO 96 N 7.08 0.14 0.31 -0.67 -0.04 -1.26 -2.23 135.00 138.34 2r1h n PRO 96 Ca 0.24 0.54 0.20 0.00 -0.04 0.00 0.00 63.50 64.43 2r1h n PRO 96 Cb 0.32 -1.87 1.05 0.00 -0.04 0.00 0.00 33.50 32.96 2r1h n PRO 96 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2r1h h THR 97 N 0.00 0.16 0.00 0.52 1.35 -2.00 -2.32 112.91 110.61 2r1h h THR 97 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.83 2r1h h THR 97 Cb 0.14 0.92 -0.00 0.00 -1.73 0.00 0.00 68.15 67.47 2r1h h THR 97 CO 0.00 0.00 -0.12 0.78 -0.25 0.00 0.00 175.52 175.93 2r1h h ASN 98 N 0.00 0.00 -0.91 5.36 2.35 -1.83 -3.27 115.58 117.27 2r1h h ASN 98 Ca 0.01 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.78 2r1h h ASN 98 Cb 0.19 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.51 2r1h h ASN 98 CO -0.00 0.12 0.60 -0.26 -1.65 0.00 0.00 177.43 176.24 2r1h h PHE 99 N 0.00 1.13 -0.09 1.19 0.04 -1.64 -1.16 116.94 116.41 2r1h h PHE 99 Ca -0.00 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.75 2r1h h PHE 99 Cb 0.70 -0.38 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 2r1h h PHE 99 CO 0.00 0.69 -0.18 0.87 -0.60 0.00 0.00 178.31 179.09 2r1h h LYS 100 N 1.21 0.14 -0.26 1.51 1.57 -1.77 -1.48 116.57 117.49 2r1h h LYS 100 Ca 0.34 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.07 2r1h h LYS 100 Cb -0.10 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2r1h h LYS 100 CO -0.09 0.33 0.08 0.82 -0.57 0.00 0.00 179.45 180.02 2r1h h ILE 101 N 0.14 1.20 -0.71 1.86 2.04 -1.38 -0.07 117.51 120.58 2r1h h ILE 101 Ca 0.03 -0.63 0.01 0.00 1.00 0.00 0.00 64.86 65.27 2r1h h ILE 101 Cb 0.40 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 2r1h h ILE 101 CO 0.03 0.21 0.47 0.25 0.00 0.00 0.00 178.15 179.10 2r1h h LEU 102 N 0.25 0.82 -0.70 1.44 5.85 -0.94 -2.38 115.31 119.64 2r1h h LEU 102 Ca 0.08 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.81 2r1h h LEU 102 Cb 0.24 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 2r1h h LEU 102 CO -0.00 0.59 0.45 0.00 -0.34 0.00 0.00 178.44 179.13 2r1h h ALA 103 N 1.26 0.91 0.17 1.25 0.00 -0.90 -1.38 119.26 120.57 2r1h h ALA 103 Ca 0.26 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2r1h h ALA 103 Cb -0.11 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.44 2r1h h ALA 103 CO -0.06 0.24 -0.08 1.25 0.00 0.00 0.00 179.25 180.60 2r1h h HIS 104 N 0.88 -0.21 -0.46 0.00 -0.00 -0.66 -1.68 115.15 113.03 2r1h h HIS 104 Ca 0.28 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.65 2r1h h HIS 104 Cb -0.01 0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.44 2r1h h HIS 104 CO -0.04 -0.13 0.30 -0.91 -0.00 0.00 0.00 177.93 177.16 2r1h h ASN 105 N -0.23 0.53 -0.53 3.26 2.35 -1.09 -1.33 115.58 118.54 2r1h h ASN 105 Ca -0.02 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.63 2r1h h ASN 105 Cb 0.17 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 2r1h h ASN 105 CO 0.04 0.39 0.03 0.25 -1.65 0.00 0.00 177.43 176.49 2r1h h LEU 106 N 0.63 0.90 -0.64 1.61 5.85 -1.00 -1.34 115.31 121.32 2r1h h LEU 106 Ca 0.17 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 2r1h h LEU 106 Cb -0.06 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.69 2r1h h LEU 106 CO -0.04 0.97 0.35 0.40 -0.34 0.00 0.00 178.44 179.79 2r1h h ILE 107 N 0.80 1.20 -0.47 4.05 2.04 -0.93 0.19 117.51 124.39 2r1h h ILE 107 Ca 0.15 -0.50 0.03 0.00 1.00 0.00 0.00 64.86 65.55 2r1h h ILE 107 Cb 0.49 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 2r1h h ILE 107 CO 0.02 0.22 0.25 0.58 0.00 0.00 0.00 178.15 179.22 2r1h h VAL 108 N 0.87 1.00 -0.32 1.67 2.07 -1.06 -1.82 116.25 118.65 2r1h h VAL 108 Ca 0.22 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.51 2r1h h VAL 108 Cb 0.03 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 2r1h h VAL 108 CO -0.04 0.09 -0.04 0.58 0.02 0.00 0.00 177.57 178.19 2r1h h VAL 109 N 0.50 1.27 -0.51 2.57 2.07 -0.70 -1.55 116.25 119.90 2r1h h VAL 109 Ca 0.20 -1.04 0.05 0.00 0.82 0.00 0.00 66.70 66.72 2r1h h VAL 109 Cb 0.07 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 2r1h h VAL 109 CO -0.12 0.34 0.26 0.40 0.02 0.00 0.00 177.57 178.47 2r1h h ILE 110 N 0.38 0.95 -0.55 4.57 2.04 -0.54 -0.17 117.51 124.19 2r1h h ILE 110 Ca 0.09 -0.17 0.04 0.00 1.00 0.00 0.00 64.86 65.81 2r1h h ILE 110 Cb 0.51 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 2r1h h ILE 110 CO 0.02 0.09 0.31 0.00 0.00 0.00 0.00 178.15 178.57 2r1h h ALA 111 N 1.28 0.71 -0.68 1.87 0.00 -1.06 0.19 119.26 121.58 2r1h h ALA 111 Ca 0.23 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 2r1h h ALA 111 Cb 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2r1h h ALA 111 CO -0.16 -0.01 0.23 0.00 0.00 0.00 0.00 179.25 179.31 2r1h h ALA 112 N 1.27 0.89 0.05 0.00 0.00 -0.73 -2.12 119.26 118.61 2r1h h ALA 112 Ca 0.23 -0.20 -0.23 0.00 0.00 0.00 0.00 54.91 54.71 2r1h h ALA 112 Cb 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2r1h h ALA 112 CO -0.13 0.54 -1.05 1.88 0.00 0.00 0.00 179.25 180.49 2r1h h TYR 113 N 0.98 0.23 -2.09 0.00 -1.99 -0.69 -3.40 116.97 110.01 2r1h h TYR 113 Ca 0.22 -0.16 -0.53 0.00 2.00 0.00 0.00 58.73 60.27 2r1h h TYR 113 Cb 0.27 -0.01 -0.41 0.00 2.00 0.00 0.00 36.73 38.58 2r1h h TYR 113 CO 0.02 1.08 -1.00 1.19 -0.00 0.00 0.00 178.16 179.45 2r1h n PHE 114 N -3.48 1.42 -0.26 4.88 3.01 0.65 -4.97 117.46 118.71 2r1h n PHE 114 Ca -0.04 -3.86 -0.05 0.00 1.01 0.00 0.00 57.45 54.51 2r1h n PHE 114 Cb 0.94 -0.44 0.06 0.00 -0.01 0.00 0.00 39.48 40.02 2r1h n PHE 114 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2r1h h PRO 115 N 3.15 0.96 -0.79 -1.08 0.13 -1.59 -0.94 132.00 131.83 2r1h h PRO 115 Ca 0.11 -0.08 -0.04 0.00 -0.87 0.00 0.00 66.00 65.12 2r1h h PRO 115 Cb 0.81 -0.21 -0.04 0.00 0.13 0.00 0.00 31.00 31.70 2r1h h PRO 115 CO 0.61 0.67 0.33 0.00 -0.23 0.00 0.00 178.00 179.38 2r1h h ALA 116 N 1.23 1.03 0.00 -0.56 0.00 -1.93 -3.18 119.26 115.85 2r1h h ALA 116 Ca 0.26 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 2r1h h ALA 116 Cb -0.05 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 2r1h h ALA 116 CO -0.05 0.64 -1.00 0.93 0.00 0.00 0.00 179.25 179.76 2r1h h GLU 117 N 1.14 0.00 -3.13 0.00 3.07 -1.84 -3.38 114.58 110.45 2r1h h GLU 117 Ca 0.27 0.00 -0.69 0.00 -0.50 0.00 0.00 59.36 58.43 2r1h h GLU 117 Cb 0.19 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 2r1h h GLU 117 CO -0.03 0.73 3.41 0.34 -1.40 0.00 0.00 179.01 182.07 2r1h n PHE 118 N -3.23 2.67 -1.11 4.33 7.35 -0.40 -4.80 117.46 122.26 2r1h n PHE 118 Ca -0.03 -3.02 -0.30 0.00 -0.76 0.00 0.00 57.45 53.34 2r1h n PHE 118 Cb 0.89 -2.37 0.14 0.00 0.35 0.00 0.00 39.48 38.49 2r1h n PHE 118 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2r1h s THR 119 N 1.71 2.68 0.29 -2.13 -4.23 -1.26 -4.71 115.64 107.99 2r1h s THR 119 Ca 0.62 0.22 0.04 0.00 -1.18 0.00 0.00 61.69 61.39 2r1h s THR 119 Cb 0.17 -2.63 0.28 0.00 1.34 0.00 0.00 72.50 71.67 2r1h s THR 119 CO -0.07 -0.29 1.77 -0.65 -0.54 0.00 0.00 174.62 174.85 2r1h h PRO 120 N -1.58 0.71 -0.66 3.99 0.11 -1.98 0.29 132.00 132.88 2r1h h PRO 120 Ca -0.48 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.51 2r1h h PRO 120 Cb 1.27 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 2r1h h PRO 120 CO 0.52 0.47 0.14 0.93 -0.21 0.00 0.00 178.00 179.85 2r1h h GLU 121 N 0.74 1.08 -0.40 1.05 5.08 -1.97 0.15 114.58 120.31 2r1h h GLU 121 Ca 0.54 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.57 2r1h h GLU 121 Cb 0.80 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2r1h h GLU 121 CO -0.37 0.98 0.02 0.82 -1.00 0.00 0.00 179.01 179.46 2r1h h ILE 122 N 1.00 1.25 -0.52 3.13 1.08 -1.67 -2.49 117.51 119.29 2r1h h ILE 122 Ca 0.21 -0.96 0.02 0.00 -0.39 0.00 0.00 64.86 63.73 2r1h h ILE 122 Cb 0.40 1.09 -0.03 0.00 -3.07 0.00 0.00 36.82 35.21 2r1h h ILE 122 CO 0.01 0.33 0.32 -0.74 -0.69 0.00 0.00 178.15 177.37 2r1h h HIS 123 N 0.53 0.59 0.06 1.37 2.76 -0.20 -0.53 115.15 119.73 2r1h h HIS 123 Ca 0.12 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.32 2r1h h HIS 123 Cb 0.44 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.19 2r1h h HIS 123 CO 0.03 0.35 -0.11 1.25 -1.30 0.00 0.00 177.93 178.15 2r1h h LEU 124 N 0.63 -0.31 -0.37 0.26 5.85 -0.62 0.49 115.31 121.25 2r1h h LEU 124 Ca 0.20 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.99 2r1h h LEU 124 Cb -0.00 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 2r1h h LEU 124 CO -0.08 -0.17 0.19 0.28 -0.34 0.00 0.00 178.44 178.32 2r1h h SER 125 N -0.22 0.29 -0.75 1.25 0.02 -1.05 0.09 113.55 113.18 2r1h h SER 125 Ca 0.02 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 2r1h h SER 125 Cb 0.24 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 2r1h h SER 125 CO -0.07 0.21 0.34 0.58 -1.14 0.00 0.00 176.83 176.75 2r1h h VAL 126 N 0.39 1.24 -0.62 2.27 2.07 -0.85 -0.40 116.25 120.35 2r1h h VAL 126 Ca 0.15 -0.72 -0.07 0.00 0.82 0.00 0.00 66.70 66.88 2r1h h VAL 126 Cb 0.05 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 2r1h h VAL 126 CO -0.10 0.30 0.11 -0.78 0.02 0.00 0.00 177.57 177.12 2r1h h ASP 127 N 1.09 0.98 -0.27 0.57 3.58 -0.39 0.15 116.42 122.13 2r1h h ASP 127 Ca 0.26 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2r1h h ASP 127 Cb 0.15 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 2r1h h ASP 127 CO -0.03 0.99 0.18 0.11 -2.88 0.00 0.00 179.24 177.61 2r1h h LYS 128 N 0.94 0.35 0.07 0.28 1.57 -0.49 0.73 116.57 120.02 2r1h h LYS 128 Ca 0.19 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.97 2r1h h LYS 128 Cb 0.42 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 2r1h h LYS 128 CO 0.01 0.23 -0.25 0.35 -0.57 0.00 0.00 179.45 179.22 2r1h h PHE 129 N 0.36 -0.67 -0.06 -1.35 3.57 -0.76 -1.57 116.94 116.46 2r1h h PHE 129 Ca 0.10 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.52 2r1h h PHE 129 Cb -0.04 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2r1h h PHE 129 CO -0.06 -0.35 -0.40 -0.07 -2.23 0.00 0.00 178.31 175.20 2r1h h LEU 130 N -0.43 0.12 -0.62 0.59 3.38 -0.39 -0.24 115.31 117.73 2r1h h LEU 130 Ca 0.04 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2r1h h LEU 130 Cb 0.48 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2r1h h LEU 130 CO -0.18 0.52 -0.17 1.56 0.09 0.00 0.00 178.44 180.27 2r1h h GLN 131 N 0.10 0.92 -0.27 1.13 1.08 -0.66 0.41 115.11 117.81 2r1h h GLN 131 Ca 0.01 -0.36 -0.02 0.00 -1.45 0.00 0.00 58.65 56.83 2r1h h GLN 131 Cb 0.76 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.13 2r1h h GLN 131 CO 0.06 1.01 0.10 1.96 -0.95 0.00 0.00 178.83 181.01 2r1h h GLN 132 N 0.81 0.42 -0.67 1.46 4.20 -0.69 -0.38 115.11 120.25 2r1h h GLN 132 Ca 0.12 -0.08 0.05 0.00 0.06 0.00 0.00 58.65 58.79 2r1h h GLN 132 Cb 0.71 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.38 2r1h h GLN 132 CO 0.05 0.46 0.39 1.25 -0.67 0.00 0.00 178.83 180.32 2r1h h LEU 133 N 0.29 0.61 -0.36 1.46 6.46 -0.90 0.19 115.31 123.06 2r1h h LEU 133 Ca 0.09 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.89 2r1h h LEU 133 Cb 0.21 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.00 2r1h h LEU 133 CO -0.01 0.41 0.20 0.00 -0.62 0.00 0.00 178.44 178.43 2r1h h ALA 134 N 1.32 0.45 -0.57 1.25 0.00 -0.72 -1.40 119.26 119.59 2r1h h ALA 134 Ca 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2r1h h ALA 134 Cb 0.12 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2r1h h ALA 134 CO -0.15 -0.15 0.36 -0.07 0.00 0.00 0.00 179.25 179.24 2r1h h LEU 135 N 0.42 0.67 -0.45 0.00 3.38 -0.30 -1.26 115.31 117.76 2r1h h LEU 135 Ca 0.15 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.92 2r1h h LEU 135 Cb 0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2r1h h LEU 135 CO -0.08 0.50 -0.68 0.00 0.09 0.00 0.00 178.44 178.27 2r1h h ALA 136 N 1.62 0.64 0.00 1.53 0.00 -0.22 -0.77 119.26 122.06 2r1h h ALA 136 Ca 0.21 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 2r1h h ALA 136 Cb -0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2r1h h ALA 136 CO -0.04 0.74 -0.15 1.25 0.00 0.00 0.00 179.25 181.05 2r1h h LEU 137 N 0.29 0.00 0.00 0.00 5.85 -0.92 -2.94 115.31 117.59 2r1h h LEU 137 Ca -0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2r1h h LEU 137 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 2r1h h LEU 137 CO 0.12 0.15 -0.69 0.00 -0.34 0.00 0.00 178.44 177.67 2r1h n ALA 138 N -2.22 3.05 -0.36 1.25 0.00 -0.51 -4.45 120.51 117.27 2r1h n ALA 138 Ca -0.01 -0.28 0.04 0.00 0.00 0.00 0.00 53.44 53.19 2r1h n ALA 138 Cb 0.33 -1.13 0.19 0.00 0.00 0.00 0.00 19.45 18.84 2r1h n ALA 138 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2r1h h GLU 139 N 0.00 1.07 -0.62 0.00 4.57 -0.97 -2.68 114.58 115.95 2r1h h GLU 139 Ca 0.00 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 2r1h h GLU 139 Cb 0.73 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 2r1h h GLU 139 CO 0.00 0.71 0.00 1.63 -1.18 0.00 0.00 179.01 180.17 2r1h n LYS 140 N -4.55 3.08 -2.92 1.92 4.76 -1.26 -4.91 118.16 114.28 2r1h n LYS 140 Ca 0.16 -2.10 -0.36 0.00 -2.87 0.00 0.00 58.31 53.14 2r1h n LYS 140 Cb 0.24 -1.76 -0.06 0.00 -1.84 0.00 0.00 35.03 31.61 2r1h n LYS 140 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2r1h s TYR 141 N -1.82 3.66 0.00 2.13 2.02 -1.01 -4.77 117.35 117.57 2r1h s TYR 141 Ca 0.37 1.60 0.00 0.00 -0.37 0.00 0.00 57.07 58.68 2r1h s TYR 141 Cb 0.25 -2.79 0.00 0.00 -0.40 0.00 0.00 41.96 39.02 2r1h s TYR 141 CO 0.17 0.26 0.00 0.54 -1.57 0.00 0.00 175.55 174.95