#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ork s ARG 3 N 0.00 3.70 -0.49 1.43 3.52 -1.26 -5.03 118.95 120.83 1ork s ARG 3 Ca 0.00 0.33 0.03 0.00 -0.13 0.00 0.00 55.73 55.97 1ork s ARG 3 Cb 0.00 -2.43 0.13 0.00 -1.56 0.00 0.00 34.95 31.09 1ork s ARG 3 CO 0.00 -0.03 0.25 -0.51 -0.81 0.00 0.00 175.30 174.20 1ork s LEU 4 N -3.99 3.81 0.08 -0.88 1.43 -1.26 -4.51 118.68 113.36 1ork s LEU 4 Ca 0.49 -2.87 -0.07 0.00 -1.03 0.00 0.00 54.13 50.65 1ork s LEU 4 Cb -0.10 -1.45 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 1ork s LEU 4 CO 0.34 -0.25 0.14 0.54 0.23 0.00 0.00 176.35 177.35 1ork s ASN 5 N -0.06 0.21 0.14 2.29 4.22 -1.26 -5.00 114.94 115.48 1ork s ASN 5 Ca 0.17 -0.74 -0.17 0.00 -2.14 0.00 0.00 52.86 49.98 1ork s ASN 5 Cb -0.25 0.31 0.06 0.00 1.28 0.00 0.00 41.25 42.64 1ork s ASN 5 CO -0.00 -0.70 1.07 -1.14 -2.04 0.00 0.00 177.10 174.29 1ork n ARG 6 N -0.02 -0.23 -0.07 3.55 0.63 -1.26 -1.56 116.66 117.70 1ork n ARG 6 Ca -0.15 1.05 -0.10 0.00 -0.92 0.00 0.00 57.85 57.74 1ork n ARG 6 Cb 0.62 -1.55 -0.03 0.00 0.45 0.00 0.00 32.46 31.95 1ork n ARG 6 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1ork h GLU 7 N 0.00 0.36 -0.62 -0.14 4.81 -1.98 -0.87 114.58 116.13 1ork h GLU 7 Ca 0.18 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1ork h GLU 7 Cb 0.35 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1ork h GLU 7 CO -0.67 0.30 0.29 0.77 -0.73 0.00 0.00 179.01 178.97 1ork h SER 8 N 0.32 0.82 -0.38 1.04 0.02 -1.61 -0.92 113.55 112.84 1ork h SER 8 Ca 0.09 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1ork h SER 8 Cb 0.04 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 1ork h SER 8 CO -0.02 0.73 0.20 0.58 -1.14 0.00 0.00 176.83 177.18 1ork h VAL 9 N 0.85 1.15 0.02 2.27 2.07 -1.12 -2.21 116.25 119.28 1ork h VAL 9 Ca 0.21 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1ork h VAL 9 Cb 0.14 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1ork h VAL 9 CO -0.02 0.16 -0.01 0.40 0.02 0.00 0.00 177.57 178.11 1ork h ILE 10 N 0.48 0.99 -0.46 4.57 1.08 -0.91 -0.84 117.51 122.43 1ork h ILE 10 Ca 0.13 -0.05 0.09 0.00 -0.39 0.00 0.00 64.86 64.64 1ork h ILE 10 Cb 0.07 1.03 -0.09 0.00 -3.07 0.00 0.00 36.82 34.76 1ork h ILE 10 CO -0.02 0.01 -0.16 0.44 -0.69 0.00 0.00 178.15 177.73 1ork h ASP 11 N -0.05 -0.56 -0.94 1.72 5.19 -1.00 0.16 116.42 120.94 1ork h ASP 11 Ca -0.00 0.15 0.01 0.00 -0.62 0.00 0.00 57.03 56.57 1ork h ASP 11 Cb 0.05 0.34 -0.05 0.00 0.18 0.00 0.00 39.33 39.84 1ork h ASP 11 CO 0.01 -0.19 0.62 0.00 -3.12 0.00 0.00 179.24 176.55 1ork h ALA 12 N 1.34 1.19 -0.59 3.45 0.00 -1.16 -1.08 119.26 122.41 1ork h ALA 12 Ca 0.22 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1ork h ALA 12 Cb 0.39 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1ork h ALA 12 CO -0.50 0.57 0.28 0.00 0.00 0.00 0.00 179.25 179.60 1ork h ALA 13 N 1.35 0.76 0.04 0.00 0.00 0.37 0.07 119.26 121.85 1ork h ALA 13 Ca 0.35 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ork h ALA 13 Cb -0.13 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.43 1ork h ALA 13 CO -0.08 0.33 -0.02 -0.07 0.00 0.00 0.00 179.25 179.41 1ork h LEU 14 N 0.81 -0.05 -0.91 0.00 4.07 -0.19 0.27 115.31 119.31 1ork h LEU 14 Ca 0.20 -0.12 0.02 0.00 0.08 0.00 0.00 57.88 58.06 1ork h LEU 14 Cb 0.13 0.01 -0.05 0.00 1.08 0.00 0.00 40.66 41.84 1ork h LEU 14 CO -0.02 0.10 0.60 -0.33 -1.08 0.00 0.00 178.44 177.70 1ork h GLU 15 N -0.19 1.16 -0.47 1.13 5.08 -1.11 -1.81 114.58 118.37 1ork h GLU 15 Ca -0.01 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1ork h GLU 15 Cb 0.17 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1ork h GLU 15 CO 0.01 0.77 0.05 1.25 -1.00 0.00 0.00 179.01 180.09 1ork h LEU 16 N 1.20 0.78 -0.52 1.33 5.85 -0.75 -2.71 115.31 120.48 1ork h LEU 16 Ca 0.35 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.83 1ork h LEU 16 Cb -0.08 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.70 1ork h LEU 16 CO -0.09 0.86 0.28 0.25 -0.34 0.00 0.00 178.44 179.40 1ork h LEU 17 N 0.67 0.42 -1.47 2.25 5.85 -0.50 -0.69 115.31 121.83 1ork h LEU 17 Ca 0.14 0.02 0.12 0.00 0.84 0.00 0.00 57.88 59.00 1ork h LEU 17 Cb 0.43 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 1ork h LEU 17 CO 0.01 0.29 0.50 0.78 -0.34 0.00 0.00 178.44 179.69 1ork h ASN 18 N 0.55 0.51 0.07 1.25 2.35 -1.10 0.12 115.58 119.33 1ork h ASN 18 Ca 0.23 0.02 -0.19 0.00 -0.55 0.00 0.00 56.30 55.80 1ork h ASN 18 Cb 0.11 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.39 1ork h ASN 18 CO -0.14 0.29 -0.98 -0.33 -1.65 0.00 0.00 177.43 174.62 1ork h GLU 19 N 0.56 0.15 -0.01 0.81 5.08 -1.03 -3.42 114.58 116.73 1ork h GLU 19 Ca 0.36 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1ork h GLU 19 Cb 0.65 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1ork h GLU 19 CO -0.13 1.12 -0.45 0.25 -1.00 0.00 0.00 179.01 178.81 1ork n THR 20 N -4.20 0.00 -0.04 1.13 -2.24 -0.35 -5.10 114.28 103.48 1ork n THR 20 Ca -0.21 -0.28 0.01 0.00 -2.27 0.00 0.00 64.05 61.30 1ork n THR 20 Cb 0.75 1.10 -0.00 0.00 -2.10 0.00 0.00 70.33 70.08 1ork n THR 20 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ork n GLY 21 N 1.18 -1.96 0.29 3.38 0.00 0.40 -2.55 105.19 105.93 1ork n GLY 21 Ca 0.04 -1.49 0.12 0.00 0.00 0.00 0.00 46.02 44.70 1ork n GLY 21 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ork h ILE 22 N -0.04 0.78 0.13 -0.61 2.10 -1.83 -1.50 117.51 116.54 1ork h ILE 22 Ca -0.00 0.00 -0.23 0.00 1.08 0.00 0.00 64.86 65.71 1ork h ILE 22 Cb 0.04 0.94 0.02 0.00 -1.09 0.00 0.00 36.82 36.74 1ork h ILE 22 CO 0.00 0.00 -0.98 0.44 -1.08 0.00 0.00 178.15 176.54 1ork h ASP 23 N 0.00 0.63 0.62 2.19 3.32 -1.97 -3.20 116.42 118.02 1ork h ASP 23 Ca 0.04 -0.88 -0.02 0.00 0.02 0.00 0.00 57.03 56.19 1ork h ASP 23 Cb 0.20 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 1ork h ASP 23 CO -0.00 1.46 -0.11 1.23 -1.72 0.00 0.00 179.24 180.10 1ork h GLY 24 N -0.10 0.00 -7.48 2.75 0.00 -1.16 -3.41 103.07 93.67 1ork h GLY 24 Ca -0.16 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.68 1ork h GLY 24 CO 0.19 0.00 1.43 -2.27 0.00 0.00 0.00 176.54 175.88 1ork s LEU 25 N -6.80 3.33 0.04 3.11 0.20 -0.61 -4.85 118.68 113.10 1ork s LEU 25 Ca -0.01 0.61 0.05 0.00 0.69 0.00 0.00 54.13 55.47 1ork s LEU 25 Cb 0.11 -2.59 -0.02 0.00 -0.43 0.00 0.00 46.19 43.27 1ork s LEU 25 CO 0.57 -2.48 -0.15 0.42 -0.29 0.00 0.00 176.35 174.42 1ork s THR 26 N 9.81 1.22 0.51 3.68 -4.23 -1.26 -4.99 115.64 120.37 1ork s THR 26 Ca 0.76 -1.01 0.27 0.00 -1.18 0.00 0.00 61.69 60.53 1ork s THR 26 Cb -0.15 -1.09 0.43 0.00 1.34 0.00 0.00 72.50 73.04 1ork s THR 26 CO 0.23 0.06 1.92 0.71 -0.54 0.00 0.00 174.62 177.00 1ork h THR 27 N 4.49 0.64 -0.12 3.99 1.35 -1.97 0.65 112.91 121.95 1ork h THR 27 Ca -0.39 -0.03 -0.01 0.00 -0.55 0.00 0.00 66.41 65.44 1ork h THR 27 Cb 1.17 0.55 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 1ork h THR 27 CO 0.44 0.02 0.05 -0.09 -0.25 0.00 0.00 175.52 175.69 1ork h ARG 28 N 0.09 0.17 -0.25 4.72 2.43 -1.96 -1.01 114.38 118.56 1ork h ARG 28 Ca 0.37 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.44 1ork h ARG 28 Cb 1.35 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.86 1ork h ARG 28 CO -0.04 0.26 -0.18 0.87 -1.51 0.00 0.00 179.97 179.38 1ork h LYS 29 N 0.04 0.44 -0.32 0.20 1.57 -1.25 -2.82 116.57 114.42 1ork h LYS 29 Ca 0.04 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1ork h LYS 29 Cb 0.15 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1ork h LYS 29 CO -0.00 0.61 0.14 1.25 -0.57 0.00 0.00 179.45 180.88 1ork h LEU 30 N 0.40 0.43 -0.24 2.94 6.46 -0.93 -1.86 115.31 122.51 1ork h LEU 30 Ca 0.07 -0.15 0.06 0.00 -0.12 0.00 0.00 57.88 57.74 1ork h LEU 30 Cb 0.55 -0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 40.31 1ork h LEU 30 CO 0.04 0.46 -0.14 0.00 -0.62 0.00 0.00 178.44 178.17 1ork h ALA 31 N 0.99 0.04 -0.15 1.25 0.00 -0.95 -1.66 119.26 118.78 1ork h ALA 31 Ca 0.11 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1ork h ALA 31 Cb 0.15 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1ork h ALA 31 CO -0.01 -0.55 0.00 1.96 0.00 0.00 0.00 179.25 180.65 1ork h GLN 32 N -0.12 0.05 -0.55 0.00 4.20 -1.39 -0.65 115.11 116.65 1ork h GLN 32 Ca 0.13 -0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.95 1ork h GLN 32 Cb 0.32 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.00 1ork h GLN 32 CO -0.32 0.03 0.03 -0.22 -0.67 0.00 0.00 178.83 177.68 1ork h LYS 33 N 0.05 0.14 0.00 1.46 1.63 -0.91 0.11 116.57 119.06 1ork h LYS 33 Ca 0.07 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1ork h LYS 33 Cb 0.08 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 1ork h LYS 33 CO -0.12 0.09 0.00 -0.07 -3.45 0.00 0.00 179.45 175.91 1ork h LEU 34 N 0.14 0.00 -0.91 5.20 3.38 -0.99 -3.46 115.31 118.67 1ork h LEU 34 Ca 0.29 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.19 1ork h LEU 34 Cb 0.44 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.21 1ork h LEU 34 CO -0.45 0.00 -0.11 0.61 0.09 0.00 0.00 178.44 178.58 1ork n GLY 35 N 0.37 0.69 3.38 0.83 0.00 0.38 -1.28 105.19 109.55 1ork n GLY 35 Ca 0.03 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 1ork n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ork s ILE 36 N -3.01 0.58 0.15 -0.61 -4.36 -0.38 -4.81 121.20 108.75 1ork s ILE 36 Ca 0.09 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.39 1ork s ILE 36 Cb -0.04 -2.57 -0.06 0.00 1.25 0.00 0.00 42.46 41.04 1ork s ILE 36 CO 0.12 0.00 0.47 -1.61 0.24 0.00 0.00 174.94 174.16 1ork s GLU 37 N -3.88 3.79 0.29 0.37 0.41 -1.26 -4.13 118.70 114.29 1ork s GLU 37 Ca 0.34 0.22 0.01 0.00 -0.41 0.00 0.00 54.97 55.13 1ork s GLU 37 Cb 0.06 -2.84 0.70 0.00 -1.78 0.00 0.00 34.13 30.27 1ork s GLU 37 CO 0.16 0.45 1.62 1.96 -0.49 0.00 0.00 175.26 178.95 1ork h GLN 38 N 3.14 0.12 0.00 1.61 4.20 -1.94 0.13 115.11 122.36 1ork h GLN 38 Ca -0.48 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.22 1ork h GLN 38 Cb 1.18 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.93 1ork h GLN 38 CO 0.68 0.08 -0.04 -1.35 -0.67 0.00 0.00 178.83 177.54 1ork h PRO 39 N 0.12 0.00 -0.32 1.46 0.11 -1.99 0.45 132.00 131.84 1ork h PRO 39 Ca 0.55 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.54 1ork h PRO 39 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1ork h PRO 39 CO -0.74 0.04 -0.27 1.15 -0.21 0.00 0.00 178.00 177.97 1ork h THR 40 N 0.00 1.29 -0.18 -1.15 2.02 -1.14 -2.85 112.91 110.90 1ork h THR 40 Ca -0.00 -1.43 -0.02 0.00 0.77 0.00 0.00 66.41 65.72 1ork h THR 40 Cb 0.06 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 1ork h THR 40 CO 0.00 0.46 0.02 0.25 0.37 0.00 0.00 175.52 176.63 1ork h LEU 41 N 0.51 0.30 -1.76 2.58 5.85 -1.05 -2.97 115.31 118.77 1ork h LEU 41 Ca 0.06 -0.28 0.24 0.00 0.84 0.00 0.00 57.88 58.74 1ork h LEU 41 Cb 0.84 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.74 1ork h LEU 41 CO 0.07 0.50 0.64 0.22 -0.34 0.00 0.00 178.44 179.53 1ork h TYR 42 N 0.09 0.26 -0.02 1.25 3.20 -0.94 0.61 116.97 121.41 1ork h TYR 42 Ca 0.05 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 1ork h TYR 42 Cb 0.34 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1ork h TYR 42 CO 0.02 0.05 -0.17 2.35 -1.64 0.00 0.00 178.16 178.77 1ork h TRP 43 N 0.18 0.04 0.00 -3.82 7.01 -1.33 -3.34 115.95 114.69 1ork h TRP 43 Ca 0.46 -0.00 -0.21 0.00 2.11 0.00 0.00 58.89 61.25 1ork h TRP 43 Cb 1.52 -0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 28.54 1ork h TRP 43 CO -0.00 0.21 -1.66 0.72 -2.79 0.00 0.00 178.44 174.93 1ork n HIS 44 N -4.31 0.08 -3.69 2.65 8.25 0.17 -4.91 115.22 113.46 1ork n HIS 44 Ca -0.02 0.03 -0.39 0.00 -0.26 0.00 0.00 57.72 57.08 1ork n HIS 44 Cb 0.25 -0.75 -0.12 0.00 1.12 0.00 0.00 29.99 30.49 1ork n HIS 44 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1ork s VAL 45 N -2.69 4.12 0.24 1.59 1.01 0.11 -5.00 120.40 119.78 1ork s VAL 45 Ca -0.33 -0.97 -0.00 0.00 0.00 0.00 0.00 61.98 60.68 1ork s VAL 45 Cb 0.09 -3.30 0.02 0.00 0.00 0.00 0.00 36.38 33.19 1ork s VAL 45 CO 0.45 -0.17 1.64 0.50 0.00 0.00 0.00 175.10 177.52 1ork h LYS 46 N 8.31 0.55 -2.35 2.72 1.63 -1.83 -3.33 116.57 122.26 1ork h LYS 46 Ca -0.25 -0.25 0.18 0.00 -0.85 0.00 0.00 60.65 59.48 1ork h LYS 46 Cb 1.10 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 32.65 1ork h LYS 46 CO 0.63 0.81 0.55 0.54 -3.45 0.00 0.00 179.45 178.53 1ork s ASN 47 N -6.83 -0.09 0.22 4.20 2.20 -1.26 -5.00 114.94 108.38 1ork s ASN 47 Ca -0.07 -0.50 -0.08 0.00 -0.94 0.00 0.00 52.86 51.26 1ork s ASN 47 Cb 0.13 0.47 0.24 0.00 -2.00 0.00 0.00 41.25 40.09 1ork s ASN 47 CO 0.81 -0.90 1.86 0.50 -2.94 0.00 0.00 177.10 176.43 1ork h LYS 48 N 2.00 0.93 -0.33 3.55 3.64 -1.98 -1.62 116.57 122.76 1ork h LYS 48 Ca -0.26 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 58.98 1ork h LYS 48 Cb 1.22 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 1ork h LYS 48 CO 0.30 0.61 -0.10 -0.09 -2.27 0.00 0.00 179.45 177.90 1ork h ARG 49 N 0.96 0.65 -0.63 1.90 9.65 -1.98 0.12 114.38 125.05 1ork h ARG 49 Ca 0.32 -0.26 -0.02 0.00 -1.10 0.00 0.00 59.98 58.92 1ork h ARG 49 Cb 0.04 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.56 1ork h ARG 49 CO -0.12 0.84 0.31 0.00 2.80 0.00 0.00 179.97 183.79 1ork h ALA 50 N 0.79 1.35 -0.03 2.80 0.00 -1.94 0.24 119.26 122.48 1ork h ALA 50 Ca 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ork h ALA 50 Cb 0.61 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ork h ALA 50 CO 0.04 0.51 -0.01 1.25 0.00 0.00 0.00 179.25 181.04 1ork h LEU 51 N 0.89 0.05 -0.65 0.00 7.12 -1.05 -2.17 115.31 119.50 1ork h LEU 51 Ca 0.22 -0.38 -0.05 0.00 0.13 0.00 0.00 57.88 57.81 1ork h LEU 51 Cb 0.09 -0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 40.18 1ork h LEU 51 CO -0.03 0.41 0.22 -0.07 -0.13 0.00 0.00 178.44 178.84 1ork h LEU 52 N -0.32 0.94 -0.21 2.25 3.38 -0.39 -1.65 115.31 119.31 1ork h LEU 52 Ca 0.01 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.81 1ork h LEU 52 Cb 0.39 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1ork h LEU 52 CO 0.00 0.88 0.02 0.44 0.09 0.00 0.00 178.44 179.88 1ork h ASP 53 N 0.93 -0.03 -0.95 -0.43 3.32 -0.53 0.65 116.42 119.38 1ork h ASP 53 Ca 0.21 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.35 1ork h ASP 53 Cb 0.27 0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.82 1ork h ASP 53 CO -0.01 0.02 0.61 0.00 -1.72 0.00 0.00 179.24 178.14 1ork h ALA 54 N 1.17 1.29 -0.20 3.45 0.00 -1.16 -1.80 119.26 122.00 1ork h ALA 54 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1ork h ALA 54 Cb 0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1ork h ALA 54 CO -0.14 0.44 0.08 -0.07 0.00 0.00 0.00 179.25 179.55 1ork h LEU 55 N 1.15 0.27 -0.62 0.00 4.07 -0.32 -0.09 115.31 119.77 1ork h LEU 55 Ca 0.40 -0.16 0.11 0.00 0.08 0.00 0.00 57.88 58.31 1ork h LEU 55 Cb 0.09 -0.07 -0.08 0.00 1.08 0.00 0.00 40.66 41.67 1ork h LEU 55 CO -0.15 0.35 0.17 0.00 -1.08 0.00 0.00 178.44 177.73 1ork h ALA 56 N 0.93 0.77 0.41 1.53 0.00 -0.25 0.26 119.26 122.91 1ork h ALA 56 Ca 0.07 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1ork h ALA 56 Cb 0.16 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ork h ALA 56 CO -0.01 -0.27 -0.20 0.28 0.00 0.00 0.00 179.25 179.06 1ork h VAL 57 N 0.31 0.60 -0.80 0.00 2.07 -1.10 -3.15 116.25 114.19 1ork h VAL 57 Ca 0.33 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.67 1ork h VAL 57 Cb 0.47 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1ork h VAL 57 CO -0.39 0.04 0.51 -0.33 0.02 0.00 0.00 177.57 177.42 1ork h GLU 58 N -0.65 1.06 -0.13 1.57 4.39 -0.29 -1.65 114.58 118.88 1ork h GLU 58 Ca -0.06 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.60 1ork h GLU 58 Cb 0.48 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1ork h GLU 58 CO 0.09 0.71 -0.03 0.82 -1.16 0.00 0.00 179.01 179.44 1ork h ILE 59 N 1.08 0.87 -0.13 3.13 2.04 -0.52 -1.69 117.51 122.30 1ork h ILE 59 Ca 0.29 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.13 1ork h ILE 59 Cb -0.10 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1ork h ILE 59 CO -0.06 0.00 0.01 -0.07 0.00 0.00 0.00 178.15 178.03 1ork h LEU 60 N -0.00 0.21 -2.46 1.44 3.38 -1.45 -1.86 115.31 114.58 1ork h LEU 60 Ca 0.06 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1ork h LEU 60 Cb 0.10 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1ork h LEU 60 CO -0.13 0.45 -0.02 0.00 0.09 0.00 0.00 178.44 178.82 1ork h ALA 61 N 0.78 1.17 -0.00 1.53 0.00 -1.24 0.17 119.26 121.65 1ork h ALA 61 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ork h ALA 61 Cb 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ork h ALA 61 CO 0.00 0.03 -0.92 0.54 0.00 0.00 0.00 179.25 178.90 1ork n ARG 62 N -3.35 0.37 0.00 0.00 1.74 -0.64 -4.72 116.66 110.05 1ork n ARG 62 Ca -0.02 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 1ork n ARG 62 Cb 0.14 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 1ork n ARG 62 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1ork n HIS 63 N -1.37 0.00 -2.10 -1.55 8.25 -0.72 -4.95 115.22 112.78 1ork n HIS 63 Ca 0.04 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.08 1ork n HIS 63 Cb 0.33 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.44 1ork n HIS 63 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1ork n HIS 64 N -0.07 3.79 0.03 4.41 -0.00 0.56 -4.63 115.22 119.31 1ork n HIS 64 Ca 0.00 -2.94 0.02 0.00 -0.00 0.00 0.00 57.72 54.79 1ork n HIS 64 Cb 0.00 -2.45 0.36 0.00 -0.00 0.00 0.00 29.99 27.90 1ork n HIS 64 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.34 176.72 1ork h ASP 65 N 6.38 0.42 -2.33 0.26 2.03 -1.87 -3.33 116.42 117.99 1ork h ASP 65 Ca 0.50 -0.06 -0.79 0.00 -0.73 0.00 0.00 57.03 55.94 1ork h ASP 65 Cb 0.70 -0.11 -0.24 0.00 -0.83 0.00 0.00 39.33 38.86 1ork h ASP 65 CO 1.71 0.46 1.23 0.00 -1.03 0.00 0.00 179.24 181.61 1ork n TYR 66 N -4.34 2.49 -0.02 4.15 4.19 -1.26 -4.69 117.16 117.68 1ork n TYR 66 Ca 0.01 -2.63 -0.19 0.00 3.31 0.00 0.00 57.90 58.41 1ork n TYR 66 Cb 0.20 -1.44 -0.14 0.00 0.49 0.00 0.00 39.34 38.45 1ork n TYR 66 CO 0.00 0.00 0.00 -1.13 0.91 0.00 0.00 176.86 176.64 1ork n SER 67 N 1.69 1.85 -4.56 2.98 3.41 -1.25 -4.16 113.62 113.58 1ork n SER 67 Ca 0.35 0.19 -0.31 0.00 -0.26 0.00 0.00 58.87 58.84 1ork n SER 67 Cb 0.32 -0.62 -0.11 0.00 -0.26 0.00 0.00 64.21 63.54 1ork n SER 67 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ork s LEU 68 N -6.78 3.00 0.48 1.04 2.01 -1.26 -4.90 118.68 112.27 1ork s LEU 68 Ca -0.21 -0.27 -0.22 0.00 0.01 0.00 0.00 54.13 53.45 1ork s LEU 68 Cb 0.07 -1.75 -0.07 0.00 0.01 0.00 0.00 46.19 44.45 1ork s LEU 68 CO 0.76 0.25 1.12 -2.16 1.01 0.00 0.00 176.35 177.33 1ork s PRO 69 N -1.60 3.73 0.94 1.29 0.04 -1.26 -5.05 135.00 133.08 1ork s PRO 69 Ca 0.17 1.62 -0.12 0.00 0.04 0.00 0.00 61.00 62.71 1ork s PRO 69 Cb -0.11 -2.27 0.15 0.00 0.04 0.00 0.00 34.50 32.31 1ork s PRO 69 CO 0.08 -0.54 1.10 0.00 0.04 0.00 0.00 177.00 177.68 1ork s ALA 70 N -1.70 1.36 0.05 8.56 0.00 -1.26 -4.92 121.76 123.85 1ork s ALA 70 Ca 0.66 -0.29 -0.30 0.00 0.00 0.00 0.00 51.96 52.03 1ork s ALA 70 Cb -0.24 -3.12 -0.09 0.00 0.00 0.00 0.00 23.12 19.67 1ork s ALA 70 CO 0.29 -2.52 1.88 0.00 0.00 0.00 0.00 175.76 175.41 1ork s ALA 71 N -3.02 3.63 -1.54 0.00 0.00 -1.26 -2.42 121.76 117.16 1ork s ALA 71 Ca 0.64 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.90 1ork s ALA 71 Cb -0.17 -3.81 0.00 0.00 0.00 0.00 0.00 23.12 19.14 1ork s ALA 71 CO 0.56 -1.45 0.00 0.41 0.00 0.00 0.00 175.76 175.29 1ork n GLY 72 N 4.39 -0.16 3.84 0.00 0.00 -1.26 -4.99 105.19 107.01 1ork n GLY 72 Ca 0.19 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1ork n GLY 72 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ork s GLU 73 N -4.75 4.07 0.42 1.61 2.12 -1.02 -5.05 118.70 116.11 1ork s GLU 73 Ca 0.00 0.91 -0.22 0.00 0.36 0.00 0.00 54.97 56.03 1ork s GLU 73 Cb 0.00 -2.25 -0.10 0.00 0.26 0.00 0.00 34.13 32.04 1ork s GLU 73 CO 0.00 -0.04 0.97 -1.54 -0.54 0.00 0.00 175.26 174.11 1ork s SER 74 N -2.50 6.88 0.51 -1.70 1.04 -1.26 -4.94 113.70 111.73 1ork s SER 74 Ca 0.58 1.77 0.16 0.00 0.48 0.00 0.00 55.95 58.94 1ork s SER 74 Cb -0.10 -2.55 1.25 0.00 0.10 0.00 0.00 66.02 64.72 1ork s SER 74 CO 0.20 -0.40 2.12 4.11 0.98 0.00 0.00 173.24 180.25 1ork h TRP 75 N 2.04 0.05 -0.24 5.02 5.08 -1.96 -1.18 115.95 124.75 1ork h TRP 75 Ca -0.49 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 59.39 1ork h TRP 75 Cb 1.19 -0.02 -0.00 0.00 -3.00 0.00 0.00 29.16 27.33 1ork h TRP 75 CO 0.61 0.03 -0.23 1.96 -1.28 0.00 0.00 178.44 179.53 1ork h GLN 76 N 0.05 0.58 -0.25 0.12 7.50 -1.97 -1.79 115.11 119.35 1ork h GLN 76 Ca 0.05 -0.30 -0.11 0.00 0.50 0.00 0.00 58.65 58.79 1ork h GLN 76 Cb 0.13 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.65 1ork h GLN 76 CO -0.00 0.89 -0.30 1.03 -1.50 0.00 0.00 178.83 178.95 1ork h SER 77 N 0.29 0.51 0.46 1.46 0.87 -1.74 -2.13 113.55 113.27 1ork h SER 77 Ca 0.04 -0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.39 1ork h SER 77 Cb 0.78 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1ork h SER 77 CO 0.06 0.79 -0.22 0.15 -0.53 0.00 0.00 176.83 177.08 1ork h PHE 78 N 0.43 -0.58 -1.00 2.24 3.57 -1.19 -0.08 116.94 120.34 1ork h PHE 78 Ca 0.06 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.74 1ork h PHE 78 Cb 0.74 0.19 -0.10 0.00 2.79 0.00 0.00 35.95 39.57 1ork h PHE 78 CO 0.03 -0.26 0.61 -0.07 -2.23 0.00 0.00 178.31 176.39 1ork h LEU 79 N -0.90 0.72 0.10 0.59 4.07 -1.27 0.46 115.31 119.08 1ork h LEU 79 Ca -0.06 0.09 -0.00 0.00 0.08 0.00 0.00 57.88 57.98 1ork h LEU 79 Cb 0.58 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.28 1ork h LEU 79 CO 0.10 0.24 -0.05 -0.09 -1.08 0.00 0.00 178.44 177.57 1ork h ARG 80 N 0.69 -0.12 -0.50 1.13 2.43 -1.31 -1.99 114.38 114.71 1ork h ARG 80 Ca 0.57 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.69 1ork h ARG 80 Cb 0.99 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.55 1ork h ARG 80 CO -0.36 0.30 0.08 -0.91 -1.51 0.00 0.00 179.97 177.58 1ork h ASN 81 N -0.59 0.80 -0.45 -3.80 2.35 -0.10 -1.65 115.58 112.14 1ork h ASN 81 Ca -0.01 -0.26 -0.08 0.00 -0.55 0.00 0.00 56.30 55.40 1ork h ASN 81 Cb 0.48 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1ork h ASN 81 CO 0.02 0.86 0.01 -1.13 -1.65 0.00 0.00 177.43 175.54 1ork h ASN 82 N 0.71 0.82 -0.36 5.81 -0.73 -0.20 -1.72 115.58 119.92 1ork h ASN 82 Ca 0.15 -0.20 -0.12 0.00 1.87 0.00 0.00 56.30 58.00 1ork h ASN 82 Cb 0.39 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.76 1ork h ASN 82 CO 0.01 0.88 -0.26 0.00 -0.37 0.00 0.00 177.43 177.69 1ork h ALA 83 N 1.21 0.52 -0.30 1.57 0.00 -1.25 -1.35 119.26 119.66 1ork h ALA 83 Ca 0.15 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1ork h ALA 83 Cb 0.46 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1ork h ALA 83 CO 0.02 0.52 0.13 0.52 0.00 0.00 0.00 179.25 180.44 1ork h MET 84 N 0.61 0.43 -0.43 0.00 2.86 -1.12 -1.01 114.93 116.27 1ork h MET 84 Ca 0.07 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 1ork h MET 84 Cb 0.83 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.38 1ork h MET 84 CO 0.07 0.43 0.25 1.03 1.06 0.00 0.00 176.91 179.74 1ork h SER 85 N 0.34 0.39 0.10 1.22 0.87 -1.28 0.15 113.55 115.33 1ork h SER 85 Ca 0.10 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1ork h SER 85 Cb 0.15 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 1ork h SER 85 CO -0.01 0.28 -0.25 0.15 -0.53 0.00 0.00 176.83 176.47 1ork h PHE 86 N 0.49 -0.66 -0.65 2.24 3.57 -1.01 -0.42 116.94 120.50 1ork h PHE 86 Ca 0.17 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.73 1ork h PHE 86 Cb 0.02 0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.99 1ork h PHE 86 CO -0.08 -0.35 0.38 -0.09 -2.23 0.00 0.00 178.31 175.95 1ork h ARG 87 N -0.44 0.71 0.04 1.11 2.43 -0.89 -0.68 114.38 116.66 1ork h ARG 87 Ca 0.03 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1ork h ARG 87 Cb 0.47 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 1ork h ARG 87 CO -0.15 0.47 -0.17 -0.09 -1.51 0.00 0.00 179.97 178.51 1ork h ARG 88 N 0.73 -0.30 -0.63 0.20 2.43 -0.53 -1.77 114.38 114.52 1ork h ARG 88 Ca 0.28 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1ork h ARG 88 Cb 0.10 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 1ork h ARG 88 CO -0.14 -0.20 0.41 0.00 -1.51 0.00 0.00 179.97 178.53 1ork h ALA 89 N 0.58 0.80 -0.04 2.80 0.00 -0.76 -1.80 119.26 120.84 1ork h ALA 89 Ca 0.04 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ork h ALA 89 Cb 0.35 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ork h ALA 89 CO -0.14 0.24 0.04 -0.07 0.00 0.00 0.00 179.25 179.32 1ork h LEU 90 N 0.85 0.00 0.00 0.00 4.07 -0.71 -2.56 115.31 116.96 1ork h LEU 90 Ca 0.23 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 58.08 1ork h LEU 90 Cb -0.09 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.64 1ork h LEU 90 CO -0.05 0.00 -1.20 -0.07 -1.08 0.00 0.00 178.44 176.04 1ork h LEU 91 N 0.00 0.00 -1.82 1.67 3.38 -0.48 -3.21 115.31 114.84 1ork h LEU 91 Ca 0.02 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.25 1ork h LEU 91 Cb 0.09 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 1ork h LEU 91 CO -0.00 0.38 0.66 -0.09 0.09 0.00 0.00 178.44 179.48 1ork h ARG 92 N 0.00 0.13 -5.92 1.13 9.65 -1.02 -3.42 114.38 114.93 1ork h ARG 92 Ca -0.10 -0.01 -0.55 0.00 -1.10 0.00 0.00 59.98 58.22 1ork h ARG 92 Cb 1.38 -0.03 -0.25 0.00 -1.39 0.00 0.00 29.97 29.68 1ork h ARG 92 CO 0.03 0.08 -0.83 0.71 2.80 0.00 0.00 179.97 182.77 1ork s TYR 93 N -5.13 1.68 0.16 2.20 2.02 -1.26 -5.07 117.35 111.95 1ork s TYR 93 Ca -0.06 -0.37 -0.33 0.00 -0.37 0.00 0.00 57.07 55.93 1ork s TYR 93 Cb 0.22 -0.99 -0.13 0.00 -0.40 0.00 0.00 41.96 40.66 1ork s TYR 93 CO 0.78 0.09 1.63 -2.13 -1.57 0.00 0.00 175.55 174.35 1ork n ARG 94 N 1.81 2.31 -1.48 -0.62 0.63 -1.26 -0.23 116.66 117.82 1ork n ARG 94 Ca -0.17 0.83 -0.16 0.00 -0.92 0.00 0.00 57.85 57.42 1ork n ARG 94 Cb 0.54 -2.63 -0.07 0.00 0.45 0.00 0.00 32.46 30.75 1ork n ARG 94 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1ork n ASP 95 N 3.80 -5.25 -0.21 6.15 9.92 -1.26 -4.66 116.55 125.05 1ork n ASP 95 Ca 0.17 0.41 0.01 0.00 -0.53 0.00 0.00 54.79 54.84 1ork n ASP 95 Cb 0.30 -4.19 0.09 0.00 -0.64 0.00 0.00 41.12 36.68 1ork n ASP 95 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1ork h GLY 96 N 0.00 0.59 1.87 0.44 0.00 -0.72 0.10 103.07 105.35 1ork h GLY 96 Ca -0.34 0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 1ork h GLY 96 CO 0.49 -0.22 -0.12 0.00 0.00 0.00 0.00 176.54 176.70 1ork h ALA 97 N 1.59 1.61 -0.17 3.60 0.00 -1.81 -2.12 119.26 121.95 1ork h ALA 97 Ca 0.32 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 1ork h ALA 97 Cb 0.51 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1ork h ALA 97 CO -0.57 0.29 -0.52 0.87 0.00 0.00 0.00 179.25 179.31 1ork h LYS 98 N 0.16 0.48 -0.31 0.00 1.57 -1.22 -2.24 116.57 115.00 1ork h LYS 98 Ca 0.03 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.50 1ork h LYS 98 Cb 0.31 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1ork h LYS 98 CO 0.02 0.89 0.12 0.28 -0.57 0.00 0.00 179.45 180.19 1ork h VAL 99 N 0.38 1.19 -0.49 0.50 2.07 -0.57 -2.99 116.25 116.34 1ork h VAL 99 Ca 0.01 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 1ork h VAL 99 Cb 1.04 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1ork h VAL 99 CO 0.09 0.20 0.08 -0.74 0.02 0.00 0.00 177.57 177.23 1ork h HIS 100 N 0.36 0.79 -1.56 1.57 -0.00 -1.43 -3.44 115.15 111.45 1ork h HIS 100 Ca 0.10 -0.08 -0.70 0.00 -0.00 0.00 0.00 60.37 59.69 1ork h HIS 100 Cb 0.20 -0.23 0.06 0.00 -0.00 0.00 0.00 27.41 27.44 1ork h HIS 100 CO -0.00 0.69 0.30 1.28 -0.00 0.00 0.00 177.93 180.20 1ork n LEU 101 N -4.26 1.17 0.00 0.26 4.77 -0.85 -1.83 117.00 116.26 1ork n LEU 101 Ca 0.03 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 57.14 1ork n LEU 101 Cb 0.24 -1.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.21 1ork n LEU 101 CO 0.40 -1.34 0.00 0.61 -1.33 0.00 0.00 177.39 175.73 1ork n GLY 102 N 2.18 2.80 3.82 -0.72 0.00 -1.26 -5.04 105.19 106.98 1ork n GLY 102 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1ork n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ork s THR 103 N -2.00 4.12 0.32 2.61 -4.23 -0.76 -5.08 115.64 110.60 1ork s THR 103 Ca 0.00 0.86 0.07 0.00 -1.18 0.00 0.00 61.69 61.44 1ork s THR 103 Cb 0.00 -3.50 -0.06 0.00 1.34 0.00 0.00 72.50 70.27 1ork s THR 103 CO 0.00 -0.73 -0.06 -0.13 -0.54 0.00 0.00 174.62 173.16 1ork s ARG 104 N -4.53 1.69 0.06 3.99 0.52 -1.26 -5.08 118.95 114.35 1ork s ARG 104 Ca 0.60 -1.87 -0.36 0.00 -0.52 0.00 0.00 55.73 53.58 1ork s ARG 104 Cb -0.14 -1.37 -0.15 0.00 0.52 0.00 0.00 34.95 33.81 1ork s ARG 104 CO 0.44 0.05 1.49 -2.30 0.02 0.00 0.00 175.30 175.00 1ork n PRO 105 N -0.70 1.55 -2.67 3.54 -0.02 -1.26 -4.95 135.00 130.49 1ork n PRO 105 Ca -0.05 0.56 -0.30 0.00 -2.02 0.00 0.00 63.50 61.69 1ork n PRO 105 Cb 0.64 -2.26 -0.02 0.00 -0.02 0.00 0.00 33.50 31.84 1ork n PRO 105 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1ork s ASP 106 N 1.15 6.44 0.27 2.55 2.15 -1.26 -4.87 116.67 123.11 1ork s ASP 106 Ca 0.84 1.15 -0.02 0.00 0.43 0.00 0.00 52.55 54.95 1ork s ASP 106 Cb -0.86 -2.33 0.59 0.00 -0.30 0.00 0.00 42.92 40.02 1ork s ASP 106 CO 0.46 -0.50 1.63 -0.33 -0.17 0.00 0.00 175.17 176.26 1ork h GLU 107 N 0.83 0.14 -0.31 4.34 5.08 -2.00 0.44 114.58 123.10 1ork h GLU 107 Ca -0.47 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 57.95 1ork h GLU 107 Cb 1.19 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1ork h GLU 107 CO 0.63 0.09 0.22 0.87 -1.00 0.00 0.00 179.01 179.82 1ork h LYS 108 N 0.14 0.09 0.00 2.33 1.79 -2.02 -1.36 116.57 117.55 1ork h LYS 108 Ca 0.49 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.96 1ork h LYS 108 Cb 0.95 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.58 1ork h LYS 108 CO -0.69 0.06 -0.72 1.96 -1.08 0.00 0.00 179.45 178.99 1ork h GLN 109 N 0.10 0.00 -0.97 3.15 4.20 -0.53 -3.38 115.11 117.67 1ork h GLN 109 Ca 0.14 0.00 0.16 0.00 0.06 0.00 0.00 58.65 59.02 1ork h GLN 109 Cb 0.44 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 28.06 1ork h GLN 109 CO -0.01 0.00 -0.34 0.66 -0.67 0.00 0.00 178.83 178.47 1ork n TYR 110 N -2.79 0.12 0.04 2.96 4.02 -0.51 -0.21 117.16 120.79 1ork n TYR 110 Ca 0.01 1.19 -0.11 0.00 -0.01 0.00 0.00 57.90 58.98 1ork n TYR 110 Cb 0.54 -0.92 -0.04 0.00 -0.02 0.00 0.00 39.34 38.90 1ork n TYR 110 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 176.86 176.07 1ork h ASP 111 N 0.00 -0.86 -0.12 7.72 3.58 -1.74 0.66 116.42 125.65 1ork h ASP 111 Ca 0.37 0.12 0.01 0.00 0.42 0.00 0.00 57.03 57.95 1ork h ASP 111 Cb 0.62 0.36 -0.01 0.00 1.72 0.00 0.00 39.33 42.01 1ork h ASP 111 CO -0.97 -0.35 0.06 0.74 -2.88 0.00 0.00 179.24 175.84 1ork h THR 112 N -0.41 0.99 -0.60 2.25 2.02 -0.84 -1.86 112.91 114.47 1ork h THR 112 Ca 0.07 -0.04 -0.09 0.00 0.77 0.00 0.00 66.41 67.13 1ork h THR 112 Cb 0.51 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1ork h THR 112 CO -0.28 0.02 0.03 0.58 0.37 0.00 0.00 175.52 176.25 1ork h VAL 113 N 0.12 1.26 -0.13 3.16 2.07 -0.77 -2.13 116.25 119.84 1ork h VAL 113 Ca 0.05 -1.08 0.03 0.00 0.82 0.00 0.00 66.70 66.52 1ork h VAL 113 Cb 0.01 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1ork h VAL 113 CO -0.04 0.39 -0.07 -0.08 0.02 0.00 0.00 177.57 177.80 1ork h GLU 114 N 0.94 -0.06 -0.72 1.57 4.57 -0.63 -1.94 114.58 118.31 1ork h GLU 114 Ca 0.18 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.42 1ork h GLU 114 Cb 0.49 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.04 1ork h GLU 114 CO 0.02 -0.04 0.42 1.15 -1.18 0.00 0.00 179.01 179.38 1ork h THR 115 N -0.06 0.99 -0.45 0.32 2.02 -1.10 -1.47 112.91 113.16 1ork h THR 115 Ca 0.07 -0.26 0.02 0.00 0.77 0.00 0.00 66.41 67.01 1ork h THR 115 Cb 0.17 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.70 1ork h THR 115 CO -0.16 0.14 0.26 1.56 0.37 0.00 0.00 175.52 177.69 1ork h GLN 116 N 0.77 0.51 -0.22 6.66 4.20 -0.87 -0.41 115.11 125.76 1ork h GLN 116 Ca 0.32 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.99 1ork h GLN 116 Cb 0.17 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1ork h GLN 116 CO -0.17 0.34 0.12 -0.07 -0.67 0.00 0.00 178.83 178.38 1ork h LEU 117 N 0.53 0.27 -0.51 1.46 3.38 -0.71 -2.52 115.31 117.21 1ork h LEU 117 Ca 0.18 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1ork h LEU 117 Cb 0.02 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1ork h LEU 117 CO -0.09 0.26 0.22 -0.09 0.09 0.00 0.00 178.44 178.83 1ork h ARG 118 N 0.25 0.74 -0.92 1.13 2.43 -1.05 -2.45 114.38 114.51 1ork h ARG 118 Ca 0.08 -0.12 0.10 0.00 -0.81 0.00 0.00 59.98 59.23 1ork h ARG 118 Cb 0.05 -0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 29.39 1ork h ARG 118 CO -0.01 0.64 0.56 0.35 -1.51 0.00 0.00 179.97 179.99 1ork h PHE 119 N 0.67 1.02 -0.43 2.20 3.57 -0.97 -1.24 116.94 121.77 1ork h PHE 119 Ca 0.17 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.58 1ork h PHE 119 Cb 0.16 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 1ork h PHE 119 CO -0.00 0.42 -0.22 0.52 -2.23 0.00 0.00 178.31 176.80 1ork h MET 120 N 0.92 0.86 -0.22 1.11 2.86 -1.12 -3.21 114.93 116.13 1ork h MET 120 Ca 0.45 -0.35 -0.04 0.00 -2.06 0.00 0.00 59.70 57.70 1ork h MET 120 Cb 0.40 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1ork h MET 120 CO -0.25 0.99 -0.01 1.79 1.06 0.00 0.00 176.91 180.49 1ork h THR 121 N 0.75 1.26 0.00 2.22 1.35 -0.93 -1.63 112.91 115.94 1ork h THR 121 Ca 0.10 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1ork h THR 121 Cb 0.75 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1ork h THR 121 CO 0.06 0.28 0.00 -1.84 -0.25 0.00 0.00 175.52 173.77 1ork n GLU 122 N -4.65 0.75 -0.08 4.72 0.28 -0.53 -1.22 120.64 119.90 1ork n GLU 122 Ca -0.04 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 56.97 1ork n GLU 122 Cb 0.25 -1.32 0.01 0.00 1.43 0.00 0.00 31.44 31.81 1ork n GLU 122 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1ork n ASN 123 N 0.24 0.80 0.00 -1.84 3.02 -1.10 -4.99 115.26 111.39 1ork n ASN 123 Ca 0.00 -1.62 0.00 0.00 -0.03 0.00 0.00 54.58 52.93 1ork n ASN 123 Cb 0.23 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 1ork n ASN 123 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ork n GLY 124 N -0.27 0.45 3.82 7.41 0.00 -0.36 -5.07 105.19 111.16 1ork n GLY 124 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1ork n GLY 124 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ork s PHE 125 N -2.00 3.64 0.50 1.61 0.08 -0.63 -5.00 117.98 116.18 1ork s PHE 125 Ca 0.00 1.33 -0.08 0.00 0.12 0.00 0.00 56.93 58.29 1ork s PHE 125 Cb 0.00 -2.57 -0.05 0.00 -0.57 0.00 0.00 43.02 39.83 1ork s PHE 125 CO 0.00 0.36 0.85 -1.54 -0.10 0.00 0.00 175.22 174.79 1ork s SER 126 N -1.66 6.34 0.27 1.36 1.04 -1.26 -3.92 113.70 115.87 1ork s SER 126 Ca 0.42 1.13 -0.01 0.00 0.48 0.00 0.00 55.95 57.97 1ork s SER 126 Cb -0.16 -2.33 0.59 0.00 0.10 0.00 0.00 66.02 64.21 1ork s SER 126 CO 0.21 -0.60 1.69 0.25 0.98 0.00 0.00 173.24 175.77 1ork h LEU 127 N 0.39 0.19 0.53 2.42 7.12 -1.96 0.32 115.31 124.32 1ork h LEU 127 Ca -0.46 0.15 -0.02 0.00 0.13 0.00 0.00 57.88 57.67 1ork h LEU 127 Cb 1.20 0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 41.47 1ork h LEU 127 CO 0.62 -0.00 -0.43 -0.09 -0.13 0.00 0.00 178.44 178.41 1ork h ARG 128 N 0.35 -0.89 -0.79 1.25 2.43 -1.99 0.12 114.38 114.86 1ork h ARG 128 Ca 0.49 0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.69 1ork h ARG 128 Cb 0.87 0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 30.58 1ork h ARG 128 CO -0.51 -0.60 0.39 -0.44 -1.51 0.00 0.00 179.97 177.30 1ork h ASP 129 N -0.93 1.03 -0.74 -3.80 5.19 -1.72 -0.11 116.42 115.34 1ork h ASP 129 Ca -0.07 -0.13 -0.06 0.00 -0.62 0.00 0.00 57.03 56.15 1ork h ASP 129 Cb 0.78 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.99 1ork h ASP 129 CO 0.01 0.86 0.23 1.23 -3.12 0.00 0.00 179.24 178.45 1ork h GLY 130 N 1.11 1.24 0.96 2.75 0.00 -0.31 -0.86 103.07 107.96 1ork h GLY 130 Ca 0.27 -0.73 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 1ork h GLY 130 CO -0.04 0.69 -0.33 -2.00 0.00 0.00 0.00 176.54 174.87 1ork h LEU 131 N 1.10 -0.79 -1.14 3.11 6.46 -0.20 -1.54 115.31 122.31 1ork h LEU 131 Ca 0.24 0.03 0.16 0.00 -0.12 0.00 0.00 57.88 58.20 1ork h LEU 131 Cb 0.31 0.21 -0.09 0.00 -0.73 0.00 0.00 40.66 40.37 1ork h LEU 131 CO -0.01 -0.54 0.61 1.88 -0.62 0.00 0.00 178.44 179.76 1ork h TYR 132 N -0.87 0.96 -0.23 1.25 -1.99 -0.78 0.29 116.97 115.60 1ork h TYR 132 Ca -0.08 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.65 1ork h TYR 132 Cb 0.68 -0.30 -0.01 0.00 2.00 0.00 0.00 36.73 39.11 1ork h TYR 132 CO -0.05 0.30 0.03 0.00 -0.00 0.00 0.00 178.16 178.44 1ork h ALA 133 N 1.60 0.30 -0.44 3.88 0.00 -0.92 0.31 119.26 123.99 1ork h ALA 133 Ca 0.51 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1ork h ALA 133 Cb 0.79 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1ork h ALA 133 CO -0.28 -0.02 0.28 0.82 0.00 0.00 0.00 179.25 180.05 1ork h ILE 134 N 0.18 1.12 0.54 0.00 2.04 -0.08 -2.37 117.51 118.94 1ork h ILE 134 Ca 0.07 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 1ork h ILE 134 Cb 0.33 0.50 0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1ork h ILE 134 CO 0.01 0.12 -0.26 0.28 0.00 0.00 0.00 178.15 178.29 1ork h SER 135 N 0.59 -0.62 -0.85 1.72 0.02 -0.39 -1.87 113.55 112.16 1ork h SER 135 Ca 0.16 -0.02 0.16 0.00 -0.84 0.00 0.00 61.79 61.25 1ork h SER 135 Cb -0.05 0.16 -0.10 0.00 0.14 0.00 0.00 62.40 62.55 1ork h SER 135 CO -0.03 -0.38 0.42 0.00 -1.14 0.00 0.00 176.83 175.70 1ork h ALA 136 N -0.41 1.28 -0.11 3.77 0.00 -0.89 0.29 119.26 123.19 1ork h ALA 136 Ca -0.07 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ork h ALA 136 Cb 0.60 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1ork h ALA 136 CO 0.12 -0.14 0.06 0.28 0.00 0.00 0.00 179.25 179.56 1ork h VAL 137 N 0.57 1.11 -0.21 0.00 2.07 -1.34 0.00 116.25 118.45 1ork h VAL 137 Ca 0.47 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.70 1ork h VAL 137 Cb 0.72 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1ork h VAL 137 CO -0.39 0.10 0.03 0.28 0.02 0.00 0.00 177.57 177.61 1ork h SER 138 N 0.06 -0.01 -0.33 0.57 0.02 -0.18 0.43 113.55 114.11 1ork h SER 138 Ca 0.04 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.96 1ork h SER 138 Cb 0.11 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 1ork h SER 138 CO -0.01 0.02 -0.03 0.45 -1.14 0.00 0.00 176.83 176.13 1ork h HIS 139 N 0.11 0.75 -0.14 3.45 3.86 -0.38 -0.49 115.15 122.31 1ork h HIS 139 Ca 0.10 -0.10 -0.06 0.00 -1.16 0.00 0.00 60.37 59.14 1ork h HIS 139 Cb 0.10 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.36 1ork h HIS 139 CO -0.15 0.72 -0.15 0.35 0.86 0.00 0.00 177.93 179.56 1ork h PHE 140 N 0.66 0.42 -0.34 2.45 3.57 -0.64 -2.36 116.94 120.69 1ork h PHE 140 Ca 0.13 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1ork h PHE 140 Cb 0.45 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1ork h PHE 140 CO 0.02 0.75 0.17 1.15 -2.23 0.00 0.00 178.31 178.17 1ork h THR 141 N -0.03 1.15 0.44 4.41 2.02 -0.66 -2.59 112.91 117.66 1ork h THR 141 Ca 0.02 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 1ork h THR 141 Cb 0.68 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1ork h THR 141 CO 0.04 0.16 -0.45 -0.07 0.37 0.00 0.00 175.52 175.57 1ork h LEU 142 N 0.42 -1.22 -0.99 2.58 -0.00 -1.11 -2.12 115.31 112.86 1ork h LEU 142 Ca 0.12 0.10 0.11 0.00 -0.00 0.00 0.00 57.88 58.21 1ork h LEU 142 Cb 0.10 0.41 -0.08 0.00 -0.00 0.00 0.00 40.66 41.09 1ork h LEU 142 CO -0.02 -0.60 0.62 1.23 -0.00 0.00 0.00 178.44 179.67 1ork h GLY 143 N -0.90 1.61 0.82 0.83 0.00 -1.45 0.12 103.07 104.09 1ork h GLY 143 Ca -0.05 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 1ork h GLY 143 CO -0.07 0.17 -0.09 0.00 0.00 0.00 0.00 176.54 176.55 1ork h ALA 144 N 1.53 -0.25 -0.02 3.60 0.00 -1.32 -1.35 119.26 121.45 1ork h ALA 144 Ca 0.49 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.28 1ork h ALA 144 Cb 0.46 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1ork h ALA 144 CO -0.26 -0.55 -0.04 0.28 0.00 0.00 0.00 179.25 178.68 1ork h VAL 145 N -0.44 0.90 0.08 0.00 2.07 -1.10 -1.78 116.25 115.98 1ork h VAL 145 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1ork h VAL 145 Cb 0.34 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1ork h VAL 145 CO 0.04 0.00 -0.22 -0.07 0.02 0.00 0.00 177.57 177.34 1ork h LEU 146 N -0.05 -0.66 -1.96 2.57 3.38 -0.73 0.22 115.31 118.07 1ork h LEU 146 Ca 0.02 0.07 0.35 0.00 0.09 0.00 0.00 57.88 58.41 1ork h LEU 146 Cb 0.09 0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 1ork h LEU 146 CO -0.05 -0.25 0.89 -0.33 0.09 0.00 0.00 178.44 178.79 1ork h GLU 147 N -0.34 0.00 0.14 1.13 4.39 -1.22 0.28 114.58 118.97 1ork h GLU 147 Ca -0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1ork h GLU 147 Cb 0.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1ork h GLU 147 CO -0.10 0.00 -0.07 0.37 -1.16 0.00 0.00 179.01 178.05 1ork h GLN 148 N 0.00 -0.19 0.25 2.33 4.15 -0.30 -3.08 115.11 118.27 1ork h GLN 148 Ca 0.57 0.01 0.01 0.00 0.77 0.00 0.00 58.65 60.01 1ork h GLN 148 Cb 2.34 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 30.04 1ork h GLN 148 CO -0.01 -0.12 -0.34 1.96 -1.93 0.00 0.00 178.83 178.39 1ork h GLN 149 N -0.57 -0.62 0.00 1.69 4.20 0.69 -1.60 115.11 118.90 1ork h GLN 149 Ca -0.02 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1ork h GLN 149 Cb 0.15 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1ork h GLN 149 CO 0.03 -0.42 0.00 1.49 -0.67 0.00 0.00 178.83 179.27 1ork h GLU 150 N -0.65 0.00 0.30 1.46 4.57 -0.70 -1.71 114.58 117.85 1ork h GLU 150 Ca -0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1ork h GLU 150 Cb 0.62 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1ork h GLU 150 CO -0.12 0.00 -0.14 1.25 -1.18 0.00 0.00 179.01 178.82 1ork h HIS 151 N 0.00 -0.37 -0.67 0.92 2.76 -1.21 -3.29 115.15 113.29 1ork h HIS 151 Ca 0.00 -0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.30 1ork h HIS 151 Cb 0.09 0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.14 1ork h HIS 151 CO 0.00 -0.18 0.46 1.79 -1.30 0.00 0.00 177.93 178.70 1ork h THR 152 N -1.08 0.80 -0.83 6.26 1.35 -0.99 -2.52 112.91 115.89 1ork h THR 152 Ca -0.04 -0.11 -0.44 0.00 -0.55 0.00 0.00 66.41 65.27 1ork h THR 152 Cb 0.36 0.45 -0.15 0.00 -1.73 0.00 0.00 68.15 67.08 1ork h THR 152 CO 0.07 0.06 0.31 0.00 -0.25 0.00 0.00 175.52 175.70 1ork n ALA 153 N -2.55 6.46 -2.00 6.62 0.00 -0.68 -5.13 120.51 123.23 1ork n ALA 153 Ca 0.12 -2.83 0.00 0.00 0.00 0.00 0.00 53.44 50.74 1ork n ALA 153 Cb 0.52 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.75 1ork n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ork n ALA 154 N 1.27 0.00 -0.49 0.00 0.00 -0.95 -4.94 120.51 115.39 1ork n ALA 154 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1ork n ALA 154 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1ork n ALA 154 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ork n ASN 165 N 0.00 0.00 -4.75 0.00 5.15 -1.26 -5.03 115.26 109.38 1ork n ASN 165 Ca 0.00 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.58 1ork n ASN 165 Cb 0.00 -1.10 -0.05 0.00 -0.53 0.00 0.00 39.78 38.10 1ork n ASN 165 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1ork s LEU 166 N 0.00 4.60 0.66 1.20 1.43 -1.26 -5.05 118.68 120.26 1ork s LEU 166 Ca 0.00 1.96 -0.15 0.00 -1.03 0.00 0.00 54.13 54.91 1ork s LEU 166 Cb 0.00 -3.61 -0.00 0.00 0.03 0.00 0.00 46.19 42.61 1ork s LEU 166 CO 0.00 0.07 1.12 -2.84 0.23 0.00 0.00 176.35 174.93 1ork s PRO 167 N -0.94 2.77 0.14 1.29 0.02 -1.26 -4.79 135.00 132.23 1ork s PRO 167 Ca 0.43 1.45 -0.31 0.00 0.02 0.00 0.00 61.00 62.59 1ork s PRO 167 Cb -0.26 -1.94 -0.09 0.00 0.02 0.00 0.00 34.50 32.23 1ork s PRO 167 CO 0.33 -1.28 1.53 -1.00 -0.33 0.00 0.00 177.00 176.25 1ork h PRO 168 N 0.10 -0.18 0.21 5.54 0.13 -1.99 -0.27 132.00 135.54 1ork h PRO 168 Ca -0.47 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 1ork h PRO 168 Cb 1.25 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1ork h PRO 168 CO 0.54 -0.12 -0.10 -0.07 -0.23 0.00 0.00 178.00 178.02 1ork h LEU 169 N -0.18 -0.24 -0.73 1.56 3.38 -2.00 -2.65 115.31 114.45 1ork h LEU 169 Ca 0.12 -0.11 0.13 0.00 0.09 0.00 0.00 57.88 58.10 1ork h LEU 169 Cb 0.49 0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.21 1ork h LEU 169 CO -0.76 -0.03 0.29 0.25 0.09 0.00 0.00 178.44 178.28 1ork h LEU 170 N -0.45 0.29 0.15 1.67 5.85 -1.94 0.18 115.31 121.07 1ork h LEU 170 Ca -0.03 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.81 1ork h LEU 170 Cb 0.34 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 1ork h LEU 170 CO 0.05 0.13 -0.35 -0.09 -0.34 0.00 0.00 178.44 177.84 1ork h ARG 171 N 0.46 -0.57 -0.82 1.25 2.43 -0.92 0.50 114.38 116.70 1ork h ARG 171 Ca 0.39 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.60 1ork h ARG 171 Cb 0.56 0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.19 1ork h ARG 171 CO -0.37 -0.38 0.54 1.49 -1.51 0.00 0.00 179.97 179.73 1ork h GLU 172 N -0.59 1.09 -0.16 0.20 4.81 -0.94 -2.11 114.58 116.88 1ork h GLU 172 Ca 0.02 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1ork h GLU 172 Cb 0.61 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 1ork h GLU 172 CO -0.18 0.73 -0.08 0.00 -0.73 0.00 0.00 179.01 178.75 1ork h ALA 173 N 1.47 0.06 -0.55 2.92 0.00 0.34 -1.67 119.26 121.83 1ork h ALA 173 Ca 0.30 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.34 1ork h ALA 173 Cb -0.11 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1ork h ALA 173 CO -0.06 -0.52 0.37 -0.07 0.00 0.00 0.00 179.25 178.96 1ork h LEU 174 N -0.06 0.42 -0.26 0.00 4.07 -0.27 -1.03 115.31 118.18 1ork h LEU 174 Ca 0.09 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 57.85 1ork h LEU 174 Cb 0.20 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.85 1ork h LEU 174 CO -0.20 0.27 -0.64 1.56 -1.08 0.00 0.00 178.44 178.35 1ork h GLN 175 N 0.48 0.82 -0.68 1.13 4.20 -1.07 -3.09 115.11 116.91 1ork h GLN 175 Ca 0.24 -0.58 -0.05 0.00 0.06 0.00 0.00 58.65 58.32 1ork h GLN 175 Cb 0.33 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 1ork h GLN 175 CO -0.07 1.20 0.22 0.82 -0.67 0.00 0.00 178.83 180.33 1ork h ILE 176 N 0.60 1.25 0.00 2.54 2.04 -0.42 -2.30 117.51 121.21 1ork h ILE 176 Ca -0.01 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.00 1ork h ILE 176 Cb 1.26 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1ork h ILE 176 CO 0.14 0.33 0.00 0.23 0.00 0.00 0.00 178.15 178.85 1ork n MET 177 N -4.27 0.27 -0.00 2.37 2.81 -0.48 -2.52 117.12 115.30 1ork n MET 177 Ca 0.06 0.12 0.04 0.00 -1.81 0.00 0.00 57.70 56.10 1ork n MET 177 Cb 0.21 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.17 1ork n MET 177 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1ork n ASP 178 N -1.25 2.24 -0.33 7.83 8.00 -0.96 -4.51 116.55 127.57 1ork n ASP 178 Ca 0.08 -0.22 0.17 0.00 0.71 0.00 0.00 54.79 55.53 1ork n ASP 178 Cb 0.12 1.26 0.33 0.00 -0.02 0.00 0.00 41.12 42.81 1ork n ASP 178 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1ork h SER 179 N 0.00 -0.30 -5.81 -2.24 0.02 -1.12 -3.42 113.55 100.68 1ork h SER 179 Ca 0.00 0.26 -0.42 0.00 -0.84 0.00 0.00 61.79 60.80 1ork h SER 179 Cb 0.32 0.42 -0.12 0.00 0.14 0.00 0.00 62.40 63.16 1ork h SER 179 CO 0.00 -0.34 -0.45 1.51 -1.14 0.00 0.00 176.83 176.42 1ork s ASP 180 N -4.96 1.41 -1.42 3.07 -4.77 -1.26 -5.04 116.67 103.69 1ork s ASP 180 Ca -0.12 -1.68 -0.09 0.00 -3.30 0.00 0.00 52.55 47.36 1ork s ASP 180 Cb 0.29 0.56 -0.11 0.00 -1.09 0.00 0.00 42.92 42.57 1ork s ASP 180 CO 0.78 -1.08 3.05 0.47 0.70 0.00 0.00 175.17 179.08 1ork n ASP 181 N -1.41 8.34 0.00 2.11 8.00 -1.26 -4.63 116.55 127.70 1ork n ASP 181 Ca 0.06 -2.56 0.00 0.00 0.71 0.00 0.00 54.79 52.99 1ork n ASP 181 Cb 0.62 -1.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 1ork n ASP 181 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ork n GLY 182 N 3.43 0.09 0.12 0.44 0.00 -1.26 -4.89 105.19 103.12 1ork n GLY 182 Ca 0.74 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.66 1ork n GLY 182 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ork h GLU 183 N 0.24 0.29 0.68 1.61 4.81 -1.97 -2.69 114.58 117.55 1ork h GLU 183 Ca 0.00 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1ork h GLU 183 Cb 0.48 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1ork h GLU 183 CO 0.00 0.33 -0.37 1.96 -0.73 0.00 0.00 179.01 180.20 1ork h GLN 184 N 0.19 -0.94 -1.01 1.92 4.20 -1.94 -1.40 115.11 116.13 1ork h GLN 184 Ca 0.07 0.06 0.24 0.00 0.06 0.00 0.00 58.65 59.08 1ork h GLN 184 Cb 0.14 0.21 -0.12 0.00 0.30 0.00 0.00 27.48 28.01 1ork h GLN 184 CO -0.01 -0.63 0.61 0.00 -0.67 0.00 0.00 178.83 178.14 1ork h ALA 185 N -0.69 1.84 0.61 3.87 0.00 -1.98 0.07 119.26 122.99 1ork h ALA 185 Ca -0.09 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1ork h ALA 185 Cb 0.77 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.56 1ork h ALA 185 CO 0.12 -0.28 -0.30 0.35 0.00 0.00 0.00 179.25 179.14 1ork h PHE 186 N 0.59 -0.76 -0.82 0.00 3.57 -1.18 -1.17 116.94 117.16 1ork h PHE 186 Ca 0.62 -0.02 0.13 0.00 3.53 0.00 0.00 57.97 62.23 1ork h PHE 186 Cb 1.21 0.25 -0.06 0.00 2.79 0.00 0.00 35.95 40.14 1ork h PHE 186 CO -0.01 -0.43 0.54 -0.07 -2.23 0.00 0.00 178.31 176.11 1ork h LEU 187 N -1.12 0.58 0.16 0.59 3.38 -0.64 0.40 115.31 118.65 1ork h LEU 187 Ca -0.08 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1ork h LEU 187 Cb 0.68 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1ork h LEU 187 CO 0.14 0.31 -0.07 -0.74 0.09 0.00 0.00 178.44 178.17 1ork h HIS 188 N 0.63 -0.19 -0.42 1.13 2.76 -0.97 -1.69 115.15 116.39 1ork h HIS 188 Ca 0.40 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.54 1ork h HIS 188 Cb 0.67 0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.67 1ork h HIS 188 CO -0.00 0.06 0.17 0.78 -1.30 0.00 0.00 177.93 177.64 1ork h GLY 189 N -0.44 0.63 0.99 5.26 0.00 0.09 -2.32 103.07 107.29 1ork h GLY 189 Ca -0.02 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 1ork h GLY 189 CO 0.04 0.29 0.28 -2.00 0.00 0.00 0.00 176.54 175.14 1ork h LEU 190 N 0.59 0.56 -0.20 3.11 5.85 -0.04 -1.07 115.31 124.11 1ork h LEU 190 Ca 0.15 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1ork h LEU 190 Cb 0.12 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1ork h LEU 190 CO -0.01 0.45 0.09 -0.33 -0.34 0.00 0.00 178.44 178.30 1ork h GLU 191 N 0.62 0.30 -0.74 1.25 4.39 -0.88 -0.97 114.58 118.53 1ork h GLU 191 Ca 0.17 -0.05 0.06 0.00 0.34 0.00 0.00 59.36 59.88 1ork h GLU 191 Cb -0.00 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.55 1ork h GLU 191 CO -0.03 0.34 0.49 0.77 -1.16 0.00 0.00 179.01 179.41 1ork h SER 192 N 0.19 0.71 0.05 1.42 0.02 -1.22 -0.13 113.55 114.59 1ork h SER 192 Ca 0.07 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1ork h SER 192 Cb 0.14 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1ork h SER 192 CO -0.01 0.46 -0.02 0.25 -1.14 0.00 0.00 176.83 176.37 1ork h LEU 193 N 0.81 -0.06 -0.16 5.07 5.85 -0.80 -1.25 115.31 124.77 1ork h LEU 193 Ca 0.32 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1ork h LEU 193 Cb 0.22 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1ork h LEU 193 CO -0.10 0.32 0.07 0.40 -0.34 0.00 0.00 178.44 178.79 1ork h ILE 194 N -0.44 1.00 -0.15 4.05 2.04 -0.81 -2.15 117.51 121.06 1ork h ILE 194 Ca -0.01 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.83 1ork h ILE 194 Cb 0.39 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1ork h ILE 194 CO 0.01 0.03 -0.05 -0.09 0.00 0.00 0.00 178.15 178.05 1ork h ARG 195 N 0.16 -0.02 -0.59 2.37 9.65 -1.05 -0.48 114.38 124.43 1ork h ARG 195 Ca 0.06 0.00 0.16 0.00 -1.10 0.00 0.00 59.98 59.10 1ork h ARG 195 Cb 0.01 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.57 1ork h ARG 195 CO -0.05 -0.01 0.42 0.78 2.80 0.00 0.00 179.97 183.91 1ork h GLY 196 N -0.02 0.10 1.45 2.80 0.00 -0.98 0.24 103.07 106.66 1ork h GLY 196 Ca 0.08 -0.03 -0.19 0.00 0.00 0.00 0.00 47.33 47.19 1ork h GLY 196 CO -0.17 0.01 -0.71 0.74 0.00 0.00 0.00 176.54 176.41 1ork h PHE 197 N 0.06 0.73 0.47 5.60 0.04 -0.46 -3.22 116.94 120.17 1ork h PHE 197 Ca 0.28 -0.31 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 1ork h PHE 197 Cb 1.04 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 39.06 1ork h PHE 197 CO -0.00 1.09 -0.30 0.93 -0.60 0.00 0.00 178.31 179.43 1ork h GLU 198 N 0.38 -0.71 -0.40 1.51 5.08 0.38 -1.45 114.58 119.37 1ork h GLU 198 Ca -0.03 0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.49 1ork h GLU 198 Cb 1.30 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.69 1ork h GLU 198 CO 0.13 -0.48 0.57 0.28 -1.00 0.00 0.00 179.01 178.51 1ork h VAL 199 N -0.74 0.22 0.09 3.13 2.07 -1.41 0.49 116.25 120.09 1ork h VAL 199 Ca -0.05 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.23 1ork h VAL 199 Cb 0.61 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1ork h VAL 199 CO 0.05 0.00 -1.24 -0.61 0.02 0.00 0.00 177.57 175.79 1ork h GLN 200 N 0.00 0.20 0.62 1.57 5.75 -1.41 -2.99 115.11 118.85 1ork h GLN 200 Ca 0.19 -0.34 -0.03 0.00 -0.15 0.00 0.00 58.65 58.32 1ork h GLN 200 Cb 1.32 0.13 0.01 0.00 1.07 0.00 0.00 27.48 30.00 1ork h GLN 200 CO -0.00 1.16 -0.30 1.25 -2.65 0.00 0.00 178.83 178.29 1ork h LEU 201 N -0.45 -0.70 -1.54 -2.39 6.46 0.09 -2.97 115.31 113.80 1ork h LEU 201 Ca -0.27 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.48 1ork h LEU 201 Cb 1.63 0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 41.74 1ork h LEU 201 CO 0.03 -0.50 -0.14 0.71 -0.62 0.00 0.00 178.44 177.91 1ork h THR 202 N -0.84 0.43 0.00 1.05 1.35 -1.46 -2.86 112.91 110.58 1ork h THR 202 Ca -0.09 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 1ork h THR 202 Cb 0.64 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 1ork h THR 202 CO 0.14 0.14 0.00 0.00 -0.25 0.00 0.00 175.52 175.55 1ork h ALA 203 N 1.86 1.00 -0.56 6.62 0.00 -1.36 -3.47 119.26 123.35 1ork h ALA 203 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ork h ALA 203 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1ork h ALA 203 CO 0.02 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.55 1ork n LEU 204 N -3.00 0.00 -0.87 0.00 4.77 -1.08 -1.41 117.00 115.40 1ork n LEU 204 Ca -0.01 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.06 1ork n LEU 204 Cb 0.18 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.43 1ork n LEU 204 CO 0.23 0.00 0.62 -0.11 -1.33 0.00 0.00 177.39 176.80 1ork n LEU 205 N 0.00 2.99 -4.84 2.23 -0.00 -1.26 -4.99 117.00 111.13 1ork n LEU 205 Ca 0.00 -1.49 -0.32 0.00 -0.00 0.00 0.00 56.01 54.20 1ork n LEU 205 Cb 0.00 -0.18 -0.02 0.00 -0.00 0.00 0.00 43.42 43.22 1ork n LEU 205 CO 0.00 0.65 0.69 -1.10 -0.00 0.00 0.00 177.39 177.64 1ork s GLN 206 N -1.25 3.76 -0.45 1.96 -1.52 -0.50 -4.98 119.66 116.68 1ork s GLN 206 Ca 0.29 0.94 -0.29 0.00 -1.95 0.00 0.00 55.36 54.35 1ork s GLN 206 Cb 0.17 -2.11 0.03 0.00 -0.22 0.00 0.00 33.01 30.88 1ork s GLN 206 CO 0.24 -0.43 1.13 0.42 -0.25 0.00 0.00 175.29 176.40 1ork s ILE 207 N -2.73 4.24 -1.63 1.08 1.01 -1.26 -4.99 121.20 116.93 1ork s ILE 207 Ca 0.59 1.30 0.13 0.00 0.00 0.00 0.00 60.65 62.66 1ork s ILE 207 Cb -0.11 -4.58 0.10 0.00 0.01 0.00 0.00 42.46 37.89 1ork s ILE 207 CO 0.37 -0.93 0.91 0.55 0.00 0.00 0.00 174.94 175.84