#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yre s LYS 9 N 0.00 0.57 0.02 -4.13 2.20 -1.26 -5.06 119.74 112.08 1yre s LYS 9 Ca 0.00 -0.97 -0.30 0.00 -0.36 0.00 0.00 55.97 54.33 1yre s LYS 9 Cb 0.00 -0.94 -0.07 0.00 -1.51 0.00 0.00 37.83 35.32 1yre s LYS 9 CO 0.00 -1.18 1.54 -2.14 -0.36 0.00 0.00 175.35 173.21 1yre s PRO 10 N 1.38 4.23 0.28 4.03 0.02 -1.26 -5.02 135.00 138.67 1yre s PRO 10 Ca 0.17 2.15 0.07 0.00 0.02 0.00 0.00 61.00 63.41 1yre s PRO 10 Cb -0.18 -3.64 -0.03 0.00 0.02 0.00 0.00 34.50 30.67 1yre s PRO 10 CO -0.05 -0.68 0.26 -0.51 -0.33 0.00 0.00 177.00 175.69 1yre s LEU 11 N 2.73 3.79 -0.98 -5.54 1.43 -1.26 -5.02 118.68 113.83 1yre s LEU 11 Ca 0.69 -0.30 -0.24 0.00 -1.03 0.00 0.00 54.13 53.26 1yre s LEU 11 Cb -0.35 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.51 1yre s LEU 11 CO 0.29 -0.16 1.69 -2.84 0.23 0.00 0.00 176.35 175.56 1yre s PRO 12 N -3.92 3.11 0.33 1.29 0.02 -1.26 -4.97 135.00 129.61 1yre s PRO 12 Ca 0.36 -0.78 -0.08 0.00 0.02 0.00 0.00 61.00 60.52 1yre s PRO 12 Cb -0.07 -5.23 -0.06 0.00 0.02 0.00 0.00 34.50 29.15 1yre s PRO 12 CO 0.26 -2.78 0.65 -1.50 -0.33 0.00 0.00 177.00 173.31 1yre s ILE 13 N 7.38 4.89 -0.14 2.83 2.07 -1.26 -4.83 121.20 132.14 1yre s ILE 13 Ca 0.57 0.39 -0.03 0.00 -1.41 0.00 0.00 60.65 60.17 1yre s ILE 13 Cb -0.03 -3.71 -0.03 0.00 0.13 0.00 0.00 42.46 38.82 1yre s ILE 13 CO -0.05 -0.37 -0.02 0.42 -1.91 0.00 0.00 174.94 173.01 1yre s THR 14 N -2.16 4.06 0.03 4.00 -4.23 -1.26 -4.18 115.64 111.90 1yre s THR 14 Ca 0.48 -0.31 0.02 0.00 -1.18 0.00 0.00 61.69 60.70 1yre s THR 14 Cb -0.11 -2.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.94 1yre s THR 14 CO 0.29 0.52 0.03 -0.76 -0.54 0.00 0.00 174.62 174.16 1yre s LEU 15 N -0.00 3.61 -0.12 4.79 1.43 0.07 -4.95 118.68 123.51 1yre s LEU 15 Ca 0.02 -0.02 -0.09 0.00 -1.03 0.00 0.00 54.13 53.00 1yre s LEU 15 Cb -0.13 -2.18 0.04 0.00 0.03 0.00 0.00 46.19 43.95 1yre s LEU 15 CO 0.02 0.24 0.30 -1.58 0.23 0.00 0.00 176.35 175.56 1yre s GLN 16 N -1.90 0.32 -0.04 1.70 0.74 -1.26 0.10 119.66 119.32 1yre s GLN 16 Ca 0.23 0.48 -0.01 0.00 0.05 0.00 0.00 55.36 56.11 1yre s GLN 16 Cb -0.12 0.08 0.03 0.00 1.10 0.00 0.00 33.01 34.10 1yre s GLN 16 CO 0.15 -0.08 0.04 0.50 -0.55 0.00 0.00 175.29 175.35 1yre s ARG 17 N 0.56 0.04 6.73 1.67 3.52 -0.66 -5.02 118.95 125.78 1yre s ARG 17 Ca -0.03 0.30 0.00 0.00 -0.13 0.00 0.00 55.73 55.87 1yre s ARG 17 Cb -0.05 -0.53 0.00 0.00 -1.56 0.00 0.00 34.95 32.82 1yre s ARG 17 CO -0.03 -0.29 0.00 0.41 -0.81 0.00 0.00 175.30 174.58 1yre n GLY 18 N 5.04 3.52 0.10 8.12 0.00 -1.26 -1.22 105.19 119.49 1yre n GLY 18 Ca -0.09 -0.05 0.15 0.00 0.00 0.00 0.00 46.02 46.03 1yre n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yre n ALA 19 N 11.36 2.66 -2.54 4.61 0.00 -1.26 -4.84 120.51 130.50 1yre n ALA 19 Ca 0.00 -0.25 -0.43 0.00 0.00 0.00 0.00 53.44 52.77 1yre n ALA 19 Cb 0.00 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.01 1yre n ALA 19 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1yre s LEU 20 N -2.19 4.09 -0.05 0.00 2.96 -0.36 -1.59 118.68 121.54 1yre s LEU 20 Ca 0.39 1.44 0.06 0.00 -0.22 0.00 0.00 54.13 55.81 1yre s LEU 20 Cb 0.21 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.35 1yre s LEU 20 CO 0.40 -0.78 -0.24 -0.13 -1.32 0.00 0.00 176.35 174.28 1yre s ARG 21 N 3.48 2.46 -0.28 1.98 0.52 -0.09 -1.66 118.95 125.36 1yre s ARG 21 Ca 0.50 -0.87 -0.06 0.00 -0.52 0.00 0.00 55.73 54.77 1yre s ARG 21 Cb -0.17 -2.09 0.01 0.00 0.52 0.00 0.00 34.95 33.21 1yre s ARG 21 CO 0.12 0.37 0.06 -0.51 0.02 0.00 0.00 175.30 175.36 1yre s LEU 22 N -0.15 3.71 -0.03 2.53 1.43 0.29 -1.81 118.68 124.64 1yre s LEU 22 Ca -0.03 -0.68 0.04 0.00 -1.03 0.00 0.00 54.13 52.43 1yre s LEU 22 Cb -0.13 -1.85 -0.00 0.00 0.03 0.00 0.00 46.19 44.23 1yre s LEU 22 CO 0.03 -0.17 -0.14 -1.61 0.23 0.00 0.00 176.35 174.70 1yre s GLU 23 N 1.49 1.36 0.12 1.70 2.02 -1.03 -0.75 118.70 123.62 1yre s GLU 23 Ca 0.03 -0.50 -0.35 0.00 0.02 0.00 0.00 54.97 54.16 1yre s GLU 23 Cb -0.17 -1.25 -0.16 0.00 0.10 0.00 0.00 34.13 32.66 1yre s GLU 23 CO 0.02 0.24 1.32 -2.30 0.02 0.00 0.00 175.26 174.55 1yre n PRO 24 N 3.03 1.28 -2.20 0.39 -0.02 -1.26 -0.69 135.00 135.52 1yre n PRO 24 Ca -0.17 0.46 -0.41 0.00 -2.02 0.00 0.00 63.50 61.36 1yre n PRO 24 Cb 0.54 -2.08 -0.03 0.00 -0.02 0.00 0.00 33.50 31.91 1yre n PRO 24 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1yre s LEU 25 N 0.56 4.45 0.25 2.45 2.96 -0.15 -4.64 118.68 124.56 1yre s LEU 25 Ca 0.80 2.54 0.11 0.00 -0.22 0.00 0.00 54.13 57.36 1yre s LEU 25 Cb -0.89 -3.63 -0.05 0.00 0.50 0.00 0.00 46.19 42.12 1yre s LEU 25 CO 0.47 -0.47 -0.18 0.68 -1.32 0.00 0.00 176.35 175.54 1yre s VAL 26 N -0.77 2.22 0.27 1.68 -7.23 -1.26 -4.97 120.40 110.34 1yre s VAL 26 Ca 0.50 -2.33 -0.01 0.00 -1.81 0.00 0.00 61.98 58.34 1yre s VAL 26 Cb -0.38 -2.21 0.26 0.00 0.56 0.00 0.00 36.38 34.62 1yre s VAL 26 CO 0.46 -0.46 1.70 -0.33 -0.31 0.00 0.00 175.10 176.16 1yre h GLU 27 N 2.39 0.35 -0.86 4.82 3.07 -1.97 -2.01 114.58 120.37 1yre h GLU 27 Ca -0.39 -0.02 0.20 0.00 -0.50 0.00 0.00 59.36 58.65 1yre h GLU 27 Cb 1.25 -0.08 -0.06 0.00 -0.84 0.00 0.00 28.75 29.02 1yre h GLU 27 CO 0.60 0.23 0.58 0.00 -1.40 0.00 0.00 179.01 179.03 1yre h ALA 28 N 1.65 2.32 0.00 3.43 0.00 -2.02 0.17 119.26 124.81 1yre h ALA 28 Ca 0.49 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.36 1yre h ALA 28 Cb 0.87 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1yre h ALA 28 CO -0.51 -0.58 -0.21 -0.44 0.00 0.00 0.00 179.25 177.51 1yre h ASP 29 N 0.31 0.00 -0.51 0.00 3.32 -1.78 -3.40 116.42 114.37 1yre h ASP 29 Ca 0.44 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.46 1yre h ASP 29 Cb 1.21 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 1yre h ASP 29 CO -0.13 0.21 0.22 0.40 -1.72 0.00 0.00 179.24 178.22 1yre h ILE 30 N 0.00 1.21 -0.67 0.35 2.04 -0.73 -2.25 117.51 117.45 1yre h ILE 30 Ca -0.00 -0.62 -0.05 0.00 1.00 0.00 0.00 64.86 65.18 1yre h ILE 30 Cb 0.62 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1yre h ILE 30 CO 0.03 0.24 0.20 -0.65 0.00 0.00 0.00 178.15 177.97 1yre h PRO 31 N 0.68 1.04 -0.50 2.37 0.11 -1.77 -1.59 132.00 132.33 1yre h PRO 31 Ca 0.17 -0.21 0.01 0.00 0.11 0.00 0.00 66.00 66.08 1yre h PRO 31 Cb 0.17 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.10 1yre h PRO 31 CO -0.02 0.89 0.33 1.49 -0.21 0.00 0.00 178.00 180.48 1yre h GLU 32 N 1.00 0.64 -0.51 1.05 4.81 -1.79 -1.45 114.58 118.33 1yre h GLU 32 Ca 0.22 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1yre h GLU 32 Cb 0.29 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1yre h GLU 32 CO -0.01 0.43 0.27 -0.07 -0.73 0.00 0.00 179.01 178.90 1yre h LEU 33 N 0.66 0.65 0.02 1.64 3.38 -1.29 0.51 115.31 120.88 1yre h LEU 33 Ca 0.19 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1yre h LEU 33 Cb -0.06 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1yre h LEU 33 CO -0.05 0.56 -0.06 0.58 0.09 0.00 0.00 178.44 179.56 1yre h VAL 34 N 0.68 0.86 -0.05 1.22 2.07 -1.21 0.14 116.25 119.96 1yre h VAL 34 Ca 0.18 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.74 1yre h VAL 34 Cb 0.06 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 1yre h VAL 34 CO -0.03 0.00 -0.29 0.28 0.02 0.00 0.00 177.57 177.55 1yre h SER 35 N -0.11 -0.88 -0.89 0.57 0.02 -1.10 0.23 113.55 111.40 1yre h SER 35 Ca 0.02 0.12 0.07 0.00 -0.84 0.00 0.00 61.79 61.16 1yre h SER 35 Cb 0.13 0.36 -0.07 0.00 0.14 0.00 0.00 62.40 62.96 1yre h SER 35 CO -0.04 -0.35 0.55 0.25 -1.14 0.00 0.00 176.83 176.09 1yre h LEU 36 N -0.41 0.85 -0.18 5.07 5.85 -0.69 -0.84 115.31 124.96 1yre h LEU 36 Ca 0.07 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1yre h LEU 36 Cb 0.52 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1yre h LEU 36 CO -0.28 0.52 0.08 0.00 -0.34 0.00 0.00 178.44 178.43 1yre h ALA 37 N 1.43 0.23 -0.23 1.25 0.00 -0.17 -1.52 119.26 120.25 1yre h ALA 37 Ca 0.40 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.28 1yre h ALA 37 Cb 0.24 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 1yre h ALA 37 CO -0.20 -0.21 -0.24 0.93 0.00 0.00 0.00 179.25 179.53 1yre h GLU 38 N 0.15 -0.25 -0.74 0.00 5.08 -0.19 -1.02 114.58 117.60 1yre h GLU 38 Ca 0.06 0.02 0.21 0.00 -1.00 0.00 0.00 59.36 58.65 1yre h GLU 38 Cb 0.13 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1yre h GLU 38 CO -0.01 -0.17 0.56 0.00 -1.00 0.00 0.00 179.01 178.40 1yre h ALA 39 N 0.77 2.66 -0.94 3.43 0.00 -0.85 0.04 119.26 124.37 1yre h ALA 39 Ca 0.13 -0.03 -0.51 0.00 0.00 0.00 0.00 54.91 54.50 1yre h ALA 39 Cb 0.46 0.06 -0.29 0.00 0.00 0.00 0.00 17.79 18.02 1yre h ALA 39 CO -0.38 -0.94 0.61 0.09 0.00 0.00 0.00 179.25 178.63 1yre n ASN 40 N -4.20 4.20 -0.22 0.00 4.13 -0.44 -4.83 115.26 113.89 1yre n ASN 40 Ca 0.15 -3.65 0.01 0.00 1.68 0.00 0.00 54.58 52.77 1yre n ASN 40 Cb 0.83 -0.84 0.13 0.00 -1.54 0.00 0.00 39.78 38.36 1yre n ASN 40 CO 0.00 0.00 0.00 -0.09 0.28 0.00 0.00 177.26 177.45 1yre h ARG 41 N 1.15 0.46 -0.19 3.52 2.43 -0.37 -2.42 114.38 118.97 1yre h ARG 41 Ca 0.60 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.61 1yre h ARG 41 Cb 2.47 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 31.91 1yre h ARG 41 CO 1.11 0.31 -0.41 1.49 -1.51 0.00 0.00 179.97 180.96 1yre h GLU 42 N 0.48 0.44 0.00 0.20 4.81 -1.88 -2.51 114.58 116.12 1yre h GLU 42 Ca 0.34 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1yre h GLU 42 Cb 0.41 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1yre h GLU 42 CO -0.31 0.78 -0.20 0.00 -0.73 0.00 0.00 179.01 178.55 1yre h ALA 43 N 1.19 1.26 -0.34 2.92 0.00 -1.83 -2.98 119.26 119.48 1yre h ALA 43 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1yre h ALA 43 Cb 0.88 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1yre h ALA 43 CO 0.07 0.26 0.00 1.28 0.00 0.00 0.00 179.25 180.86 1yre n LEU 44 N -3.72 1.90 0.30 0.00 4.77 -0.95 -4.49 117.00 114.81 1yre n LEU 44 Ca -0.01 -0.93 0.20 0.00 -0.03 0.00 0.00 56.01 55.23 1yre n LEU 44 Cb 0.32 -0.22 0.91 0.00 -2.33 0.00 0.00 43.42 42.10 1yre n LEU 44 CO 0.33 0.47 1.08 0.06 -1.33 0.00 0.00 177.39 177.99 1yre h GLN 45 N 2.12 0.00 -0.14 3.23 3.07 -1.53 -1.61 115.11 120.25 1yre h GLN 45 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1yre h GLN 45 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.04 1yre h GLN 45 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.58 1yre n TYR 46 N -3.08 0.17 -4.25 0.06 4.01 -1.26 -0.65 117.16 112.15 1yre n TYR 46 Ca -0.01 -0.09 -0.30 0.00 -0.16 0.00 0.00 57.90 57.35 1yre n TYR 46 Cb 0.21 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.13 1yre n TYR 46 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 1yre s MET 47 N -1.83 2.02 -0.64 -0.72 -1.94 -0.61 -4.65 119.30 110.94 1yre s MET 47 Ca 0.33 -1.07 -0.11 0.00 -1.71 0.00 0.00 55.69 53.13 1yre s MET 47 Cb 0.18 -2.25 0.16 0.00 2.01 0.00 0.00 34.83 34.94 1yre s MET 47 CO 0.28 0.50 0.55 0.34 -0.01 0.00 0.00 175.02 176.67 1yre s ASP 48 N -2.19 6.12 0.00 3.03 2.15 -1.26 -3.06 116.67 121.46 1yre s ASP 48 Ca 0.20 -2.31 0.00 0.00 0.43 0.00 0.00 52.55 50.87 1yre s ASP 48 Cb -0.11 -2.10 0.00 0.00 -0.30 0.00 0.00 42.92 40.41 1yre s ASP 48 CO 0.13 -0.64 0.00 0.61 -0.17 0.00 0.00 175.17 175.10 1yre n GLY 49 N 4.43 0.83 0.11 2.66 0.00 -1.26 -5.01 105.19 106.95 1yre n GLY 49 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 1yre n GLY 49 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1yre n PRO 50 N -1.04 0.14 -0.07 1.61 -0.02 -1.26 -2.67 135.00 131.68 1yre n PRO 50 Ca 0.00 0.47 0.12 0.00 -2.02 0.00 0.00 63.50 62.07 1yre n PRO 50 Cb 0.00 -1.82 0.31 0.00 -0.02 0.00 0.00 33.50 31.97 1yre n PRO 50 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1yre n THR 51 N -2.09 0.19 -4.90 3.45 -2.24 -1.26 -4.79 114.28 102.64 1yre n THR 51 Ca 0.01 -0.46 -0.30 0.00 -2.27 0.00 0.00 64.05 61.03 1yre n THR 51 Cb 0.14 0.78 -0.15 0.00 -2.10 0.00 0.00 70.33 69.01 1yre n THR 51 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1yre s ARG 52 N -1.81 1.86 0.52 -0.78 0.52 -1.09 -4.71 118.95 113.45 1yre s ARG 52 Ca 0.34 -1.08 0.35 0.00 -0.52 0.00 0.00 55.73 54.81 1yre s ARG 52 Cb 0.20 -2.01 1.67 0.00 0.52 0.00 0.00 34.95 35.33 1yre s ARG 52 CO 0.30 0.52 2.04 -1.35 0.02 0.00 0.00 175.30 176.83 1yre h PRO 53 N 4.80 0.00 -0.70 3.54 0.11 -1.90 -3.00 132.00 134.85 1yre h PRO 53 Ca -0.46 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.67 1yre h PRO 53 Cb 1.14 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 1yre h PRO 53 CO 0.44 0.00 0.46 -0.44 -0.21 0.00 0.00 178.00 178.25 1yre h ASP 54 N 0.00 0.75 0.06 -2.05 3.32 -1.96 -2.94 116.42 113.60 1yre h ASP 54 Ca 0.00 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.05 1yre h ASP 54 Cb 0.24 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1yre h ASP 54 CO 0.00 0.52 -0.09 -0.25 -1.72 0.00 0.00 179.24 177.70 1yre h TRP 55 N 0.87 -0.22 -0.21 4.55 7.01 -1.71 -1.57 115.95 124.66 1yre h TRP 55 Ca 0.27 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.25 1yre h TRP 55 Cb 0.02 0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.16 1yre h TRP 55 CO -0.00 -0.14 0.03 1.88 -2.79 0.00 0.00 178.44 177.42 1yre h TYR 56 N -0.18 0.37 0.00 2.65 0.05 -1.70 -2.57 116.97 115.59 1yre h TYR 56 Ca 0.01 -0.05 -0.10 0.00 0.05 0.00 0.00 58.73 58.64 1yre h TYR 56 Cb 0.19 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 1yre h TYR 56 CO -0.12 0.49 -0.50 0.07 -1.05 0.00 0.00 178.16 177.04 1yre h ARG 57 N 0.14 0.00 -0.73 4.88 0.11 -1.56 -1.24 114.38 115.98 1yre h ARG 57 Ca 0.06 0.00 0.07 0.00 0.10 0.00 0.00 59.98 60.21 1yre h ARG 57 Cb 0.32 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.34 1yre h ARG 57 CO 0.00 0.50 0.41 0.37 0.10 0.00 0.00 179.97 181.36 1yre h GLN 58 N 0.00 0.73 -0.13 0.08 5.75 -1.25 -0.37 115.11 119.91 1yre h GLN 58 Ca -0.00 -0.04 -0.09 0.00 -0.15 0.00 0.00 58.65 58.36 1yre h GLN 58 Cb 1.14 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.51 1yre h GLN 58 CO 0.06 0.48 -0.32 0.66 -2.65 0.00 0.00 178.83 177.07 1yre h SER 59 N 0.75 0.27 -0.04 -0.69 4.64 -0.82 -1.12 113.55 116.53 1yre h SER 59 Ca 0.33 -0.09 -0.17 0.00 -0.47 0.00 0.00 61.79 61.39 1yre h SER 59 Cb 0.22 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1yre h SER 59 CO -0.19 0.58 -0.57 -0.07 -0.87 0.00 0.00 176.83 175.70 1yre h LEU 60 N 0.23 0.71 -0.21 5.97 3.38 -1.05 0.12 115.31 124.47 1yre h LEU 60 Ca 0.03 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 1yre h LEU 60 Cb 0.68 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1yre h LEU 60 CO 0.05 1.13 0.05 0.00 0.09 0.00 0.00 178.44 179.76 1yre h ALA 61 N 0.88 0.27 -0.74 1.53 0.00 -0.81 0.31 119.26 120.70 1yre h ALA 61 Ca 0.00 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 54.87 1yre h ALA 61 Cb 1.14 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 1yre h ALA 61 CO 0.11 -0.09 0.37 0.93 0.00 0.00 0.00 179.25 180.57 1yre h GLU 62 N 0.15 0.59 -0.44 0.00 5.08 -1.10 -1.35 114.58 117.51 1yre h GLU 62 Ca 0.07 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1yre h GLU 62 Cb 0.26 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1yre h GLU 62 CO -0.00 0.39 0.24 0.37 -1.00 0.00 0.00 179.01 179.01 1yre h GLN 63 N 0.61 0.62 -0.82 2.33 4.15 -0.57 0.13 115.11 121.56 1yre h GLN 63 Ca 0.37 -0.07 0.23 0.00 0.77 0.00 0.00 58.65 59.95 1yre h GLN 63 Cb 0.42 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.95 1yre h GLN 63 CO -0.29 0.50 0.58 0.00 -1.93 0.00 0.00 178.83 177.69 1yre h ARG 64 N 0.58 0.06 -0.31 1.69 3.08 0.68 -1.09 114.38 119.07 1yre h ARG 64 Ca 0.16 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1yre h ARG 64 Cb 0.06 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1yre h ARG 64 CO -0.02 0.04 0.00 -1.91 -1.07 0.00 0.00 179.97 177.01 1yre n GLU 65 N -4.33 2.15 -1.33 0.04 4.07 -0.73 -4.94 120.64 115.58 1yre n GLU 65 Ca 0.17 -1.74 -0.09 0.00 -0.06 0.00 0.00 57.16 55.44 1yre n GLU 65 Cb 0.84 -1.45 -0.03 0.00 -0.06 0.00 0.00 31.44 30.74 1yre n GLU 65 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1yre n GLY 66 N 1.33 0.96 0.00 8.31 0.00 -0.41 -4.94 105.19 110.44 1yre n GLY 66 Ca 0.18 -0.64 0.07 0.00 0.00 0.00 0.00 46.02 45.62 1yre n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yre n ARG 67 N -2.67 1.93 -4.02 1.61 1.74 0.38 -4.95 116.66 110.68 1yre n ARG 67 Ca -0.09 -0.04 -0.09 0.00 -0.77 0.00 0.00 57.85 56.86 1yre n ARG 67 Cb 0.31 -1.19 -0.08 0.00 -1.02 0.00 0.00 32.46 30.48 1yre n ARG 67 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yre s ALA 68 N -2.47 0.27 -0.40 7.54 0.00 -1.20 -3.65 121.76 121.85 1yre s ALA 68 Ca 0.02 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 50.95 1yre s ALA 68 Cb 0.10 0.82 0.16 0.00 0.00 0.00 0.00 23.12 24.20 1yre s ALA 68 CO 0.56 -0.58 0.32 -0.51 0.00 0.00 0.00 175.76 175.54 1yre s LEU 69 N -2.98 1.37 0.19 0.00 1.43 0.11 -4.13 118.68 114.66 1yre s LEU 69 Ca 0.18 -2.91 -0.30 0.00 -1.03 0.00 0.00 54.13 50.08 1yre s LEU 69 Cb 0.05 -0.44 -0.08 0.00 0.03 0.00 0.00 46.19 45.75 1yre s LEU 69 CO -0.00 -0.20 0.96 -2.16 0.23 0.00 0.00 176.35 175.18 1yre s PRO 70 N 0.24 4.77 -0.01 1.29 0.04 -1.26 -1.70 135.00 138.36 1yre s PRO 70 Ca 0.30 1.50 0.07 0.00 0.04 0.00 0.00 61.00 62.91 1yre s PRO 70 Cb -0.02 -3.31 -0.02 0.00 0.04 0.00 0.00 34.50 31.19 1yre s PRO 70 CO -0.16 0.36 -0.22 -0.51 0.04 0.00 0.00 177.00 176.51 1yre s LEU 71 N -0.68 2.06 -0.06 -3.56 1.43 0.15 -0.98 118.68 117.03 1yre s LEU 71 Ca 0.44 -0.42 -0.17 0.00 -1.03 0.00 0.00 54.13 52.95 1yre s LEU 71 Cb -0.25 -1.14 -0.05 0.00 0.03 0.00 0.00 46.19 44.78 1yre s LEU 71 CO 0.32 0.27 0.46 0.00 0.23 0.00 0.00 176.35 177.63 1yre s ALA 72 N -0.55 3.56 -0.21 4.21 0.00 0.13 -2.31 121.76 126.59 1yre s ALA 72 Ca 0.09 -0.18 -0.12 0.00 0.00 0.00 0.00 51.96 51.75 1yre s ALA 72 Cb -0.09 -2.56 -0.05 0.00 0.00 0.00 0.00 23.12 20.42 1yre s ALA 72 CO -0.01 0.19 0.24 0.08 0.00 0.00 0.00 175.76 176.26 1yre s VAL 73 N -0.08 5.32 -0.04 0.00 1.01 -0.28 -2.45 120.40 123.88 1yre s VAL 73 Ca 0.25 0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.64 1yre s VAL 73 Cb -0.16 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.65 1yre s VAL 73 CO 0.12 0.35 -0.08 -0.13 0.00 0.00 0.00 175.10 175.36 1yre s ARG 74 N 0.86 1.10 -0.25 2.72 0.52 -0.75 -1.76 118.95 121.39 1yre s ARG 74 Ca 0.12 -0.26 -0.08 0.00 -0.52 0.00 0.00 55.73 54.99 1yre s ARG 74 Cb -0.13 -1.00 -0.03 0.00 0.52 0.00 0.00 34.95 34.30 1yre s ARG 74 CO 0.04 0.03 0.09 -0.51 0.02 0.00 0.00 175.30 174.97 1yre s LEU 75 N 0.55 3.55 0.00 2.53 1.43 -0.81 -0.91 118.68 125.02 1yre s LEU 75 Ca -0.09 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 1yre s LEU 75 Cb -0.12 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.13 1yre s LEU 75 CO 0.01 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.17 1yre n GLY 76 N 4.94 0.49 0.00 -3.19 0.00 -0.62 -0.49 105.19 106.32 1yre n GLY 76 Ca -0.16 0.60 0.08 0.00 0.00 0.00 0.00 46.02 46.54 1yre n GLY 76 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1yre n VAL 77 N 0.00 0.00 -2.30 1.61 3.14 -1.26 -4.91 118.33 114.61 1yre n VAL 77 Ca 0.00 -0.29 -0.42 0.00 -2.96 0.00 0.00 64.34 60.67 1yre n VAL 77 Cb 0.00 0.44 -0.03 0.00 -1.06 0.00 0.00 33.84 33.19 1yre n VAL 77 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 1yre s GLN 78 N -2.92 4.32 0.07 1.45 0.74 0.36 -5.02 119.66 118.66 1yre s GLN 78 Ca -0.02 1.88 -0.30 0.00 0.05 0.00 0.00 55.36 56.97 1yre s GLN 78 Cb 0.11 -3.52 -0.05 0.00 1.10 0.00 0.00 33.01 30.65 1yre s GLN 78 CO 0.68 -0.50 1.09 -1.17 -0.55 0.00 0.00 175.29 174.84 1yre s LEU 79 N 2.10 4.40 0.00 3.68 2.96 -1.26 -1.93 118.68 128.63 1yre s LEU 79 Ca 0.61 1.90 0.00 0.00 -0.22 0.00 0.00 54.13 56.42 1yre s LEU 79 Cb -0.30 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.81 1yre s LEU 79 CO 0.26 -0.32 0.00 0.52 -1.32 0.00 0.00 176.35 175.49 1yre n VAL 80 N 3.53 0.00 -1.42 1.68 0.31 -0.72 -4.96 118.33 116.74 1yre n VAL 80 Ca 0.06 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1yre n VAL 80 Cb 0.48 0.82 0.00 0.00 -0.91 0.00 0.00 33.84 34.23 1yre n VAL 80 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1yre n GLY 81 N 0.68 -0.44 3.29 2.92 0.00 -1.20 -0.83 105.19 109.61 1yre n GLY 81 Ca 0.00 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 1yre n GLY 81 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1yre s THR 82 N -3.63 0.08 0.34 2.61 -1.32 -1.09 -1.12 115.64 111.51 1yre s THR 82 Ca 0.00 -0.68 -0.18 0.00 -1.21 0.00 0.00 61.69 59.62 1yre s THR 82 Cb 0.00 -1.17 0.04 0.00 -1.51 0.00 0.00 72.50 69.86 1yre s THR 82 CO 0.00 -0.37 0.77 0.28 -2.21 0.00 0.00 174.62 173.09 1yre s THR 83 N -3.66 0.00 -0.24 5.08 -1.32 -0.98 -2.19 115.64 112.34 1yre s THR 83 Ca 0.02 -0.98 -0.26 0.00 -1.21 0.00 0.00 61.69 59.26 1yre s THR 83 Cb 0.02 -2.55 0.08 0.00 -1.51 0.00 0.00 72.50 68.54 1yre s THR 83 CO -0.11 0.00 0.77 -0.60 -2.21 0.00 0.00 174.62 172.47 1yre s ARG 84 N -2.90 0.81 -0.08 7.08 3.52 -0.86 0.31 118.95 126.83 1yre s ARG 84 Ca 0.14 0.83 -0.14 0.00 -0.13 0.00 0.00 55.73 56.43 1yre s ARG 84 Cb -0.05 0.39 -0.05 0.00 -1.56 0.00 0.00 34.95 33.68 1yre s ARG 84 CO 0.09 -0.12 0.36 -0.06 -0.81 0.00 0.00 175.30 174.76 1yre s PHE 85 N 0.13 3.60 0.00 5.12 0.40 -0.69 -1.67 117.98 124.88 1yre s PHE 85 Ca -0.01 0.82 0.00 0.00 -0.60 0.00 0.00 56.93 57.14 1yre s PHE 85 Cb -0.04 -2.31 0.00 0.00 0.51 0.00 0.00 43.02 41.17 1yre s PHE 85 CO 0.01 0.46 0.00 0.00 0.70 0.00 0.00 175.22 176.39 1yre n ALA 86 N 2.64 0.00 -3.75 5.36 0.00 -0.51 0.05 120.51 124.31 1yre n ALA 86 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.01 1yre n ALA 86 Cb 0.52 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.00 1yre n ALA 86 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1yre n GLU 87 N 0.00 -1.78 -2.53 0.00 -0.58 -1.24 -0.48 120.64 114.03 1yre n GLU 87 Ca 0.00 0.44 -0.40 0.00 -0.42 0.00 0.00 57.16 56.78 1yre n GLU 87 Cb 0.00 -4.20 -0.05 0.00 -0.57 0.00 0.00 31.44 26.63 1yre n GLU 87 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1yre s PHE 88 N -3.57 3.66 -0.57 -0.32 2.99 -1.26 -3.80 117.98 115.11 1yre s PHE 88 Ca 0.36 1.74 0.03 0.00 0.00 0.00 0.00 56.93 59.06 1yre s PHE 88 Cb -0.13 -3.22 0.14 0.00 0.00 0.00 0.00 43.02 39.81 1yre s PHE 88 CO 0.87 -0.35 0.33 -0.51 -0.00 0.00 0.00 175.22 175.56 1yre s LEU 89 N -1.37 4.55 0.33 -0.37 1.43 -0.48 -5.00 118.68 117.77 1yre s LEU 89 Ca 0.44 -3.10 0.07 0.00 -1.03 0.00 0.00 54.13 50.50 1yre s LEU 89 Cb -0.31 -1.68 0.74 0.00 0.03 0.00 0.00 46.19 44.97 1yre s LEU 89 CO 0.39 -0.24 1.85 -0.65 0.23 0.00 0.00 176.35 177.94 1yre h PRO 90 N 6.45 0.76 0.00 1.29 0.11 -1.95 -2.17 132.00 136.48 1yre h PRO 90 Ca -0.04 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1yre h PRO 90 Cb 0.88 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.82 1yre h PRO 90 CO 0.70 0.50 0.00 0.00 -0.21 0.00 0.00 178.00 178.99 1yre h ALA 91 N 1.59 1.00 0.00 -0.75 0.00 -1.96 -3.35 119.26 115.78 1yre h ALA 91 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1yre h ALA 91 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1yre h ALA 91 CO -0.23 0.00 -0.20 -0.07 0.00 0.00 0.00 179.25 178.75 1yre h LEU 92 N 0.00 0.00-10.16 0.00 3.38 -1.97 -3.50 115.31 103.07 1yre h LEU 92 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 1yre h LEU 92 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1yre h LEU 92 CO 0.00 0.44 -0.04 -2.16 0.09 0.00 0.00 178.44 176.77 1yre s PRO 93 N -1.64 3.65 0.14 1.13 0.04 -1.26 -4.71 135.00 132.34 1yre s PRO 93 Ca -0.06 0.13 -0.14 0.00 0.04 0.00 0.00 61.00 60.97 1yre s PRO 93 Cb 0.01 -2.54 0.02 0.00 0.04 0.00 0.00 34.50 32.03 1yre s PRO 93 CO 0.09 0.08 0.38 0.00 0.04 0.00 0.00 177.00 177.58 1yre s ALA 94 N -2.28 -0.66 0.38 8.56 0.00 -0.83 -1.47 121.76 125.46 1yre s ALA 94 Ca 0.46 -0.33 -0.12 0.00 0.00 0.00 0.00 51.96 51.98 1yre s ALA 94 Cb -0.10 0.73 0.04 0.00 0.00 0.00 0.00 23.12 23.79 1yre s ALA 94 CO 0.33 -0.66 0.70 0.00 0.00 0.00 0.00 175.76 176.13 1yre s GLU 96 N -2.48 2.73 -0.13 0.00 2.12 0.36 -0.31 118.70 121.00 1yre s GLU 96 Ca 0.20 -0.59 -0.04 0.00 0.36 0.00 0.00 54.97 54.90 1yre s GLU 96 Cb -0.04 -2.61 -0.03 0.00 0.26 0.00 0.00 34.13 31.71 1yre s GLU 96 CO 0.14 0.65 -0.00 0.96 -0.54 0.00 0.00 175.26 176.47 1yre s ILE 97 N -0.92 4.24 -0.07 -3.70 -4.36 -0.72 -1.42 121.20 114.24 1yre s ILE 97 Ca 0.15 -0.25 0.00 0.00 -0.26 0.00 0.00 60.65 60.29 1yre s ILE 97 Cb -0.11 -2.84 0.00 0.00 1.25 0.00 0.00 42.46 40.76 1yre s ILE 97 CO 0.05 0.53 0.00 0.61 0.24 0.00 0.00 174.94 176.37 1yre n GLY 98 N 3.00 -0.63 3.90 6.27 0.00 -0.67 -4.55 105.19 112.51 1yre n GLY 98 Ca -0.18 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 1yre n GLY 98 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1yre n TRP 99 N 0.13 -2.15 -3.88 1.61 8.01 -1.26 -2.03 117.44 117.86 1yre n TRP 99 Ca 0.00 0.88 -0.36 0.00 -1.31 0.00 0.00 57.50 56.71 1yre n TRP 99 Cb 0.00 -3.96 -0.11 0.00 -2.01 0.00 0.00 31.31 25.23 1yre n TRP 99 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 1yre s THR 100 N -3.41 4.56 0.08 -0.99 2.01 -1.26 -3.81 115.64 112.83 1yre s THR 100 Ca 0.51 -0.10 0.04 0.00 0.31 0.00 0.00 61.69 62.45 1yre s THR 100 Cb -0.26 -3.10 -0.03 0.00 0.01 0.00 0.00 72.50 69.12 1yre s THR 100 CO 0.84 0.39 -0.10 -1.66 -0.69 0.00 0.00 174.62 173.39 1yre s TRP 101 N 1.08 1.02 0.09 4.92 1.48 -0.93 -5.01 118.94 121.59 1yre s TRP 101 Ca 0.04 -0.61 0.05 0.00 -1.06 0.00 0.00 56.10 54.52 1yre s TRP 101 Cb -0.14 -0.57 -0.03 0.00 -1.16 0.00 0.00 33.47 31.57 1yre s TRP 101 CO 0.03 -0.01 -0.13 -0.51 -4.06 0.00 0.00 176.95 172.28 1yre s LEU 102 N -2.22 2.34 0.26 -4.66 1.43 -1.26 -2.65 118.68 111.91 1yre s LEU 102 Ca 0.02 -0.70 -0.30 0.00 -1.03 0.00 0.00 54.13 52.12 1yre s LEU 102 Cb -0.05 -0.44 -0.14 0.00 0.03 0.00 0.00 46.19 45.59 1yre s LEU 102 CO 0.00 -0.15 1.24 -0.67 0.23 0.00 0.00 176.35 177.00 1yre n ASP 103 N 0.94 2.11 -0.25 2.29 2.03 -0.01 -4.88 116.55 118.79 1yre n ASP 103 Ca -0.19 1.16 0.20 0.00 0.52 0.00 0.00 54.79 56.48 1yre n ASP 103 Cb 0.56 -1.36 0.52 0.00 -0.72 0.00 0.00 41.12 40.12 1yre n ASP 103 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 1yre h GLN 104 N 3.20 0.38 -0.21 -0.67 -0.00 -1.96 -1.09 115.11 114.76 1yre h GLN 104 Ca -0.43 -0.02 0.06 0.00 -0.00 0.00 0.00 58.65 58.25 1yre h GLN 104 Cb 1.31 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.48 28.69 1yre h GLN 104 CO 0.68 0.25 0.31 0.00 -0.00 0.00 0.00 178.83 180.08 1yre h ALA 105 N 1.61 1.74 -0.68 0.06 0.00 -1.99 -0.28 119.26 119.72 1yre h ALA 105 Ca 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1yre h ALA 105 Cb 1.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1yre h ALA 105 CO -0.18 -0.42 0.00 1.04 0.00 0.00 0.00 179.25 179.69 1yre n GLN 106 N -3.48 2.70 -2.48 0.00 1.13 -0.41 -4.80 117.38 110.03 1yre n GLN 106 Ca 0.02 -2.61 -0.42 0.00 -1.94 0.00 0.00 57.00 52.05 1yre n GLN 106 Cb 0.43 -1.56 -0.03 0.00 0.11 0.00 0.00 30.24 29.19 1yre n GLN 106 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1yre s HIS 107 N -1.07 3.28 0.00 1.08 3.76 -0.12 -2.21 115.29 120.01 1yre s HIS 107 Ca 0.48 1.28 0.00 0.00 -0.15 0.00 0.00 55.06 56.66 1yre s HIS 107 Cb 0.25 -3.39 0.00 0.00 1.11 0.00 0.00 32.58 30.55 1yre s HIS 107 CO 0.33 -1.19 0.00 0.41 -0.85 0.00 0.00 174.74 173.45 1yre n GLY 108 N 3.30 0.50 0.00 -2.22 0.00 -1.26 -4.89 105.19 100.61 1yre n GLY 108 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 1yre n GLY 108 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1yre n SER 109 N -0.15 0.00 0.00 1.61 3.41 -0.94 -4.92 113.62 112.63 1yre n SER 109 Ca 0.00 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1yre n SER 109 Cb 0.08 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 1yre n SER 109 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1yre n GLY 110 N 1.06 1.10 0.22 5.00 0.00 -1.26 -4.96 105.19 106.34 1yre n GLY 110 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 1yre n GLY 110 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1yre h LEU 111 N 0.00 -0.55 -0.53 0.99 5.85 -1.91 -2.42 115.31 116.73 1yre h LEU 111 Ca 0.00 0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.93 1yre h LEU 111 Cb 0.00 0.26 -0.11 0.00 0.37 0.00 0.00 40.66 41.18 1yre h LEU 111 CO 0.00 -0.22 -0.24 -1.13 -0.34 0.00 0.00 178.44 176.51 1yre h ASN 112 N -0.21 -0.83 -1.01 1.25 -1.24 -1.93 -0.26 115.58 111.35 1yre h ASN 112 Ca 0.11 0.19 0.12 0.00 0.71 0.00 0.00 56.30 57.43 1yre h ASN 112 Cb 0.36 0.45 -0.09 0.00 0.73 0.00 0.00 38.32 39.78 1yre h ASN 112 CO -0.28 -0.26 0.63 0.03 -1.29 0.00 0.00 177.43 176.26 1yre h ARG 113 N -0.11 0.96 -0.38 6.67 3.08 -1.91 -0.84 114.38 121.85 1yre h ARG 113 Ca 0.24 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 60.12 1yre h ARG 113 Cb 0.49 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1yre h ARG 113 CO -0.60 0.64 -0.22 1.98 -1.07 0.00 0.00 179.97 180.69 1yre h MET 114 N 0.99 0.75 -0.04 0.04 4.05 -0.67 0.12 114.93 120.17 1yre h MET 114 Ca 0.50 -0.30 -0.01 0.00 -0.28 0.00 0.00 59.70 59.61 1yre h MET 114 Cb 0.51 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.27 1yre h MET 114 CO -0.27 0.90 -0.03 0.82 0.23 0.00 0.00 176.91 178.56 1yre h ILE 115 N 0.66 1.36 -0.91 1.77 2.04 -0.60 -2.37 117.51 119.45 1yre h ILE 115 Ca 0.09 -1.13 -0.01 0.00 1.00 0.00 0.00 64.86 64.81 1yre h ILE 115 Cb 0.72 2.04 -0.04 0.00 -0.74 0.00 0.00 36.82 38.79 1yre h ILE 115 CO 0.06 0.30 0.52 0.11 0.00 0.00 0.00 178.15 179.14 1yre h LYS 116 N -0.34 1.26 -0.63 2.37 1.79 -1.11 -0.50 116.57 119.41 1yre h LYS 116 Ca 0.01 -0.14 0.03 0.00 -2.18 0.00 0.00 60.65 58.37 1yre h LYS 116 Cb 0.51 -0.25 -0.04 0.00 -1.58 0.00 0.00 32.23 30.86 1yre h LYS 116 CO 0.01 0.91 0.38 -0.92 -1.08 0.00 0.00 179.45 178.75 1yre h TYR 117 N 1.27 0.71 -0.29 -1.35 3.20 -0.66 0.12 116.97 119.97 1yre h TYR 117 Ca 0.32 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 62.10 1yre h TYR 117 Cb -0.00 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.03 1yre h TYR 117 CO 0.01 0.40 -0.29 -0.07 -1.64 0.00 0.00 178.16 176.57 1yre h LEU 118 N 0.75 0.75 -0.10 2.82 3.38 -0.88 -0.94 115.31 121.09 1yre h LEU 118 Ca 0.25 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1yre h LEU 118 Cb 0.04 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1yre h LEU 118 CO -0.11 1.07 0.06 0.24 0.09 0.00 0.00 178.44 179.79 1yre h MET 119 N 0.45 0.13 -0.66 1.13 2.86 -0.71 -2.17 114.93 115.97 1yre h MET 119 Ca 0.05 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1yre h MET 119 Cb 0.85 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.46 1yre h MET 119 CO 0.07 0.14 0.39 -0.07 1.06 0.00 0.00 176.91 178.50 1yre h LEU 120 N 0.09 0.80 -0.70 1.22 3.38 -0.70 0.12 115.31 119.52 1yre h LEU 120 Ca 0.03 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.00 1yre h LEU 120 Cb 0.04 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.53 1yre h LEU 120 CO -0.01 0.64 0.39 0.50 0.09 0.00 0.00 178.44 180.05 1yre h LYS 121 N 0.90 0.70 -0.08 1.13 3.64 -1.06 0.47 116.57 122.26 1yre h LYS 121 Ca 0.24 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.42 1yre h LYS 121 Cb -0.01 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1yre h LYS 121 CO -0.04 0.46 -0.57 1.25 -2.27 0.00 0.00 179.45 178.28 1yre h HIS 122 N 0.72 0.72 -0.37 1.91 2.76 -0.73 0.11 115.15 120.27 1yre h HIS 122 Ca 0.32 -0.34 0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1yre h HIS 122 Cb 0.21 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.04 1yre h HIS 122 CO -0.07 1.13 0.23 0.00 -1.30 0.00 0.00 177.93 177.92 1yre h ALA 123 N 0.44 0.47 0.15 5.26 0.00 -0.53 0.24 119.26 125.29 1yre h ALA 123 Ca -0.05 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.55 1yre h ALA 123 Cb 1.23 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1yre h ALA 123 CO 0.12 -0.10 -1.48 0.74 0.00 0.00 0.00 179.25 178.53 1yre h PHE 124 N 0.47 0.57 0.12 0.00 0.04 -0.94 -1.01 116.94 116.19 1yre h PHE 124 Ca 0.14 -0.41 -0.31 0.00 2.80 0.00 0.00 57.97 60.18 1yre h PHE 124 Cb -0.03 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 1yre h PHE 124 CO -0.06 1.58 -1.58 -0.44 -0.60 0.00 0.00 178.31 177.20 1yre h ASP 125 N -0.16 0.41 0.00 2.17 3.32 -0.84 -3.03 116.42 118.30 1yre h ASP 125 Ca -0.30 -0.59 -0.36 0.00 0.02 0.00 0.00 57.03 55.80 1yre h ASP 125 Cb 1.88 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 41.24 1yre h ASP 125 CO 0.12 1.50 -2.08 0.59 -1.72 0.00 0.00 179.24 177.64 1yre n ASN 126 N -3.46 1.94 0.01 6.45 5.03 -0.50 -4.55 115.26 120.18 1yre n ASN 126 Ca -0.18 0.36 0.13 0.00 0.87 0.00 0.00 54.58 55.76 1yre n ASN 126 Cb 1.05 -0.84 0.55 0.00 -1.02 0.00 0.00 39.78 39.52 1yre n ASN 126 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1yre n LEU 127 N -4.32 0.09 -3.50 3.41 4.77 0.73 -4.92 117.00 113.26 1yre n LEU 127 Ca -0.44 0.51 -0.24 0.00 -0.03 0.00 0.00 56.01 55.81 1yre n LEU 127 Cb 0.79 -0.49 0.07 0.00 -2.33 0.00 0.00 43.42 41.46 1yre n LEU 127 CO 0.08 -0.07 0.19 0.54 -1.33 0.00 0.00 177.39 176.81 1yre n ARG 128 N -1.58 -7.28 -1.71 3.23 1.74 -0.72 -4.88 116.66 105.46 1yre n ARG 128 Ca 0.06 0.84 -0.32 0.00 -0.77 0.00 0.00 57.85 57.66 1yre n ARG 128 Cb 0.32 -5.85 0.04 0.00 -1.02 0.00 0.00 32.46 25.95 1yre n ARG 128 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1yre s MET 129 N -6.21 2.95 0.00 5.56 -1.94 -0.46 -4.55 119.30 114.64 1yre s MET 129 Ca 0.54 1.13 0.17 0.00 -1.71 0.00 0.00 55.69 55.82 1yre s MET 129 Cb -0.24 -1.99 0.03 0.00 2.01 0.00 0.00 34.83 34.65 1yre s MET 129 CO 0.66 -1.10 0.94 1.33 -0.01 0.00 0.00 175.02 176.84 1yre n VAL 130 N -2.72 0.00 -3.64 -6.03 0.24 -0.54 -4.51 118.33 101.14 1yre n VAL 130 Ca 0.09 -0.37 -0.08 0.00 -2.04 0.00 0.00 64.34 61.94 1yre n VAL 130 Cb 0.53 1.25 -0.07 0.00 -1.47 0.00 0.00 33.84 34.08 1yre n VAL 130 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1yre s ARG 131 N -1.87 0.73 -0.13 7.34 3.52 -1.26 -1.88 118.95 125.40 1yre s ARG 131 Ca 0.16 1.18 0.02 0.00 -0.13 0.00 0.00 55.73 56.96 1yre s ARG 131 Cb 0.14 0.18 0.01 0.00 -1.56 0.00 0.00 34.95 33.73 1yre s ARG 131 CO 0.38 -0.14 -0.20 0.08 -0.81 0.00 0.00 175.30 174.61 1yre s VAL 132 N 1.42 1.90 0.24 7.11 1.01 0.09 -2.83 120.40 129.33 1yre s VAL 132 Ca -0.08 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 60.90 1yre s VAL 132 Cb -0.05 -1.68 -0.08 0.00 0.00 0.00 0.00 36.38 34.57 1yre s VAL 132 CO -0.16 0.52 0.59 -1.58 0.00 0.00 0.00 175.10 174.46 1yre s GLN 133 N 0.82 3.86 0.04 2.72 0.74 0.58 -1.64 119.66 126.78 1yre s GLN 133 Ca -0.08 0.37 0.01 0.00 0.05 0.00 0.00 55.36 55.72 1yre s GLN 133 Cb -0.16 -2.63 -0.03 0.00 1.10 0.00 0.00 33.01 31.30 1yre s GLN 133 CO -0.01 0.30 -0.06 -0.51 -0.55 0.00 0.00 175.29 174.46 1yre s LEU 134 N -2.78 2.29 0.05 3.68 1.02 -0.74 -1.76 118.68 120.44 1yre s LEU 134 Ca 0.48 -0.60 -0.22 0.00 0.02 0.00 0.00 54.13 53.81 1yre s LEU 134 Cb -0.11 -0.07 0.05 0.00 0.02 0.00 0.00 46.19 46.08 1yre s LEU 134 CO 0.20 -0.27 0.52 -0.94 0.02 0.00 0.00 176.35 175.88 1yre s SER 135 N -1.74 -0.44 0.17 2.29 1.04 -1.26 0.63 113.70 114.38 1yre s SER 135 Ca -0.09 0.15 -0.21 0.00 0.48 0.00 0.00 55.95 56.29 1yre s SER 135 Cb -0.08 0.50 0.05 0.00 0.10 0.00 0.00 66.02 66.59 1yre s SER 135 CO -0.01 -0.74 0.56 0.28 0.98 0.00 0.00 173.24 174.32 1yre s THR 136 N -2.56 0.02 0.43 2.02 -1.32 -0.29 -4.95 115.64 109.00 1yre s THR 136 Ca -0.05 -0.30 -0.26 0.00 -1.21 0.00 0.00 61.69 59.87 1yre s THR 136 Cb -0.01 -1.19 -0.09 0.00 -1.51 0.00 0.00 72.50 69.70 1yre s THR 136 CO -0.03 -0.08 1.45 0.00 -2.21 0.00 0.00 174.62 173.75 1yre s ALA 137 N -3.79 3.34 0.53 11.08 0.00 -1.26 -0.10 121.76 131.56 1yre s ALA 137 Ca 0.03 1.50 0.21 0.00 0.00 0.00 0.00 51.96 53.70 1yre s ALA 137 Cb -0.01 -3.60 1.37 0.00 0.00 0.00 0.00 23.12 20.89 1yre s ALA 137 CO -0.10 -1.16 2.10 0.00 0.00 0.00 0.00 175.76 176.60 1yre h ALA 138 N 2.52 2.14 0.00 0.00 0.00 -1.52 -1.59 119.26 120.81 1yre h ALA 138 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1yre h ALA 138 Cb 1.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1yre h ALA 138 CO 0.62 -0.26 0.00 0.77 0.00 0.00 0.00 179.25 180.38 1yre h SER 139 N 0.00 0.00 -1.72 0.00 0.02 -1.90 -3.42 113.55 106.53 1yre h SER 139 Ca 0.10 0.00 -0.75 0.00 -0.84 0.00 0.00 61.79 60.30 1yre h SER 139 Cb 0.40 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 62.78 1yre h SER 139 CO -0.00 0.00 1.74 -3.20 -1.14 0.00 0.00 176.83 174.23 1yre n ASN 140 N -2.46 5.15 0.20 3.07 2.85 -0.60 -4.84 115.26 118.62 1yre n ASN 140 Ca 0.04 -3.05 0.03 0.00 -0.11 0.00 0.00 54.58 51.49 1yre n ASN 140 Cb 0.41 -1.52 0.40 0.00 1.24 0.00 0.00 39.78 40.31 1yre n ASN 140 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1yre h LEU 141 N 8.67 0.00 0.43 1.20 3.38 -1.83 -1.94 115.31 125.22 1yre h LEU 141 Ca 0.36 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.31 1yre h LEU 141 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1yre h LEU 141 CO 1.46 0.32 -0.20 -0.09 0.09 0.00 0.00 178.44 180.02 1yre h ARG 142 N 0.00 -0.55 -0.86 1.13 2.43 -1.98 -1.53 114.38 113.02 1yre h ARG 142 Ca -0.00 0.04 0.16 0.00 -0.81 0.00 0.00 59.98 59.36 1yre h ARG 142 Cb 0.58 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 30.19 1yre h ARG 142 CO 0.04 -0.25 0.56 0.00 -1.51 0.00 0.00 179.97 178.82 1yre h ALA 143 N -0.46 1.97 -0.40 2.80 0.00 -1.94 -0.86 119.26 120.37 1yre h ALA 143 Ca -0.06 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1yre h ALA 143 Cb 0.56 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1yre h ALA 143 CO 0.10 -0.21 0.22 1.96 0.00 0.00 0.00 179.25 181.31 1yre h GLN 144 N 0.57 0.56 -0.74 0.00 4.20 -1.20 0.24 115.11 118.73 1yre h GLN 144 Ca 0.43 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 59.01 1yre h GLN 144 Cb 0.84 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.48 1yre h GLN 144 CO -0.18 0.45 0.21 0.78 -0.67 0.00 0.00 178.83 179.42 1yre h GLY 145 N 0.52 1.25 1.08 3.46 0.00 -0.14 -0.86 103.07 108.38 1yre h GLY 145 Ca 0.14 -0.76 -0.13 0.00 0.00 0.00 0.00 47.33 46.58 1yre h GLY 145 CO -0.02 0.71 -0.22 0.00 0.00 0.00 0.00 176.54 177.00 1yre h ALA 146 N 1.11 0.63 -0.22 3.60 0.00 -1.06 -2.23 119.26 121.09 1yre h ALA 146 Ca 0.24 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.78 1yre h ALA 146 Cb 0.34 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1yre h ALA 146 CO -0.00 0.62 0.05 0.82 0.00 0.00 0.00 179.25 180.73 1yre h ILE 147 N 0.78 0.91 -0.96 0.00 2.04 -0.66 -2.36 117.51 117.26 1yre h ILE 147 Ca 0.10 -0.05 0.07 0.00 1.00 0.00 0.00 64.86 65.98 1yre h ILE 147 Cb 0.80 0.76 -0.07 0.00 -0.74 0.00 0.00 36.82 37.57 1yre h ILE 147 CO 0.07 0.02 0.61 0.44 0.00 0.00 0.00 178.15 179.29 1yre h ASP 148 N 0.13 0.97 0.31 1.72 3.32 -1.08 -2.12 116.42 119.67 1yre h ASP 148 Ca 0.10 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.06 1yre h ASP 148 Cb 0.09 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1yre h ASP 148 CO -0.13 0.61 -0.41 0.11 -1.72 0.00 0.00 179.24 177.71 1yre h LYS 149 N 1.11 0.14 0.00 3.56 1.57 -1.23 -1.83 116.57 119.88 1yre h LYS 149 Ca 0.42 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.13 1yre h LYS 149 Cb 0.19 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 1yre h LYS 149 CO -0.18 0.53 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.12 1yre h LEU 150 N 0.12 0.00 0.00 2.94 3.38 -0.84 -3.47 115.31 117.44 1yre h LEU 150 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1yre h LEU 150 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1yre h LEU 150 CO 0.06 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.24 1yre n GLY 151 N -1.09 1.02 3.74 0.83 0.00 -0.69 -4.87 105.19 104.13 1yre n GLY 151 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1yre n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yre s ALA 152 N -2.00 3.33 -0.12 4.61 0.00 -1.22 -4.91 121.76 121.45 1yre s ALA 152 Ca 0.00 0.69 -0.13 0.00 0.00 0.00 0.00 51.96 52.52 1yre s ALA 152 Cb 0.00 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 1yre s ALA 152 CO 0.00 0.01 0.29 -0.65 0.00 0.00 0.00 175.76 175.41 1yre s GLN 153 N -0.73 4.07 0.15 0.00 -1.52 -0.54 -4.61 119.66 116.48 1yre s GLN 153 Ca 0.45 0.12 -0.30 0.00 -1.95 0.00 0.00 55.36 53.68 1yre s GLN 153 Cb -0.27 -3.35 -0.08 0.00 -0.22 0.00 0.00 33.01 29.09 1yre s GLN 153 CO 0.33 0.40 1.29 0.50 -0.25 0.00 0.00 175.29 177.57 1yre s ARG 154 N -0.04 4.39 -0.04 2.91 3.52 -1.26 -1.48 118.95 126.95 1yre s ARG 154 Ca 0.18 1.98 0.10 0.00 -0.13 0.00 0.00 55.73 57.86 1yre s ARG 154 Cb -0.14 -3.24 -0.15 0.00 -1.56 0.00 0.00 34.95 29.86 1yre s ARG 154 CO 0.06 -0.28 0.17 0.39 -0.81 0.00 0.00 175.30 174.83 1yre n GLU 155 N 3.21 1.04 -3.64 5.12 1.02 0.39 -4.93 120.64 122.85 1yre n GLU 155 Ca 0.08 -0.07 -0.03 0.00 -0.02 0.00 0.00 57.16 57.12 1yre n GLU 155 Cb 0.44 -1.26 -0.01 0.00 -0.02 0.00 0.00 31.44 30.58 1yre n GLU 155 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1yre s GLY 156 N -3.60 -0.34 -0.17 0.62 0.00 -1.08 -5.00 107.32 97.75 1yre s GLY 156 Ca -0.04 0.68 -0.00 0.00 0.00 0.00 0.00 44.72 45.36 1yre s GLY 156 CO 0.44 0.18 -0.07 0.14 0.00 0.00 0.00 173.10 173.79 1yre s VAL 157 N -2.87 1.24 -0.24 1.40 1.01 -1.26 -1.38 120.40 118.29 1yre s VAL 157 Ca 0.11 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.24 1yre s VAL 157 Cb 0.01 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 1yre s VAL 157 CO -0.03 0.15 0.30 -0.76 0.00 0.00 0.00 175.10 174.76 1yre s LEU 158 N 1.58 4.09 0.19 3.92 1.43 0.53 -4.91 118.68 125.51 1yre s LEU 158 Ca 0.00 0.26 -0.23 0.00 -1.03 0.00 0.00 54.13 53.14 1yre s LEU 158 Cb -0.15 -2.32 -0.08 0.00 0.03 0.00 0.00 46.19 43.67 1yre s LEU 158 CO -0.08 -0.07 0.76 -0.13 0.23 0.00 0.00 176.35 177.06 1yre s ARG 159 N 1.55 4.42 -1.44 1.70 1.81 -1.26 -0.19 118.95 125.54 1yre s ARG 159 Ca 0.13 1.03 -0.07 0.00 -1.72 0.00 0.00 55.73 55.10 1yre s ARG 159 Cb -0.15 -3.07 0.05 0.00 -0.45 0.00 0.00 34.95 31.33 1yre s ARG 159 CO 0.08 0.48 0.80 0.09 -0.68 0.00 0.00 175.30 176.08 1yre n ASN 160 N 1.18 -2.84 -0.01 0.23 4.13 -1.24 -4.90 115.26 111.81 1yre n ASN 160 Ca -0.04 -0.83 0.09 0.00 1.68 0.00 0.00 54.58 55.47 1yre n ASN 160 Cb 0.50 -3.80 -0.12 0.00 -1.54 0.00 0.00 39.78 34.82 1yre n ASN 160 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 1yre n HIS 161 N -4.48 0.00 -3.81 3.10 -0.00 -0.60 -4.95 115.22 104.48 1yre n HIS 161 Ca -0.13 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 57.96 1yre n HIS 161 Cb 0.60 -0.28 -0.07 0.00 -0.12 0.00 0.00 29.99 30.12 1yre n HIS 161 CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 1yre s ARG 162 N -3.04 0.86 0.03 1.57 1.70 -0.80 -4.97 118.95 114.29 1yre s ARG 162 Ca -0.03 -0.85 0.01 0.00 -0.47 0.00 0.00 55.73 54.40 1yre s ARG 162 Cb 0.12 0.36 -0.04 0.00 -0.57 0.00 0.00 34.95 34.81 1yre s ARG 162 CO 0.72 -0.28 0.07 1.03 -1.08 0.00 0.00 175.30 175.76 1yre s ARG 163 N -3.60 2.98 0.49 3.89 0.52 -1.26 0.71 118.95 122.68 1yre s ARG 163 Ca 0.03 -0.57 -0.05 0.00 -0.52 0.00 0.00 55.73 54.62 1yre s ARG 163 Cb 0.03 -2.80 0.11 0.00 0.52 0.00 0.00 34.95 32.81 1yre s ARG 163 CO -0.10 0.62 0.67 1.28 0.02 0.00 0.00 175.30 177.79 1yre n LEU 164 N 0.94 0.00 -0.37 2.53 4.77 0.13 -4.19 117.00 120.81 1yre n LEU 164 Ca -0.11 -1.03 -0.00 0.00 -0.03 0.00 0.00 56.01 54.84 1yre n LEU 164 Cb 0.52 -0.48 0.14 0.00 -2.33 0.00 0.00 43.42 41.27 1yre n LEU 164 CO 0.40 -0.91 1.29 0.00 -1.33 0.00 0.00 177.39 176.83 1yre h ALA 165 N -1.22 1.33 -0.08 -1.18 0.00 -0.81 -2.01 119.26 115.30 1yre h ALA 165 Ca -0.22 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1yre h ALA 165 Cb 0.69 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1yre h ALA 165 CO 0.19 0.59 0.00 0.41 0.00 0.00 0.00 179.25 180.44 1yre n GLY 166 N -1.38 -0.54 1.06 0.00 0.00 -1.26 -4.84 105.19 98.24 1yre n GLY 166 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1yre n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yre n GLY 167 N 0.80 0.70 3.77 -0.02 0.00 -0.75 -5.08 105.19 104.60 1yre n GLY 167 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1yre n GLY 167 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1yre s ARG 168 N -0.63 4.46 0.22 1.61 3.52 -1.26 -4.60 118.95 122.27 1yre s ARG 168 Ca 0.00 2.07 -0.30 0.00 -0.13 0.00 0.00 55.73 57.37 1yre s ARG 168 Cb 0.00 -3.11 -0.08 0.00 -1.56 0.00 0.00 34.95 30.19 1yre s ARG 168 CO 0.00 -0.04 1.12 -0.51 -0.81 0.00 0.00 175.30 175.05 1yre s LEU 169 N -1.66 4.51 0.07 -0.88 1.43 -1.26 0.22 118.68 121.11 1yre s LEU 169 Ca 0.47 2.19 -0.05 0.00 -1.03 0.00 0.00 54.13 55.71 1yre s LEU 169 Cb -0.37 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.22 1yre s LEU 169 CO 0.49 -0.22 0.09 -0.62 0.23 0.00 0.00 176.35 176.32 1yre s ASP 170 N -0.37 0.29 0.69 2.29 2.15 0.22 -4.92 116.67 117.02 1yre s ASP 170 Ca 0.48 -0.82 -0.11 0.00 0.43 0.00 0.00 52.55 52.54 1yre s ASP 170 Cb -0.31 0.28 0.01 0.00 -0.30 0.00 0.00 42.92 42.60 1yre s ASP 170 CO 0.38 -0.67 1.08 -1.81 -0.17 0.00 0.00 175.17 173.98 1yre s ASP 171 N -2.89 5.47 -0.10 -0.34 1.01 -1.26 -1.55 116.67 117.00 1yre s ASP 171 Ca 0.06 1.10 0.03 0.00 0.71 0.00 0.00 52.55 54.45 1yre s ASP 171 Cb 0.06 -1.91 0.01 0.00 1.01 0.00 0.00 42.92 42.08 1yre s ASP 171 CO -0.10 -1.31 -0.20 -0.89 0.21 0.00 0.00 175.17 172.87 1yre s THR 172 N -3.33 1.82 -0.24 -1.27 2.01 0.74 -1.28 115.64 114.09 1yre s THR 172 Ca 0.58 -0.87 -0.19 0.00 0.31 0.00 0.00 61.69 61.52 1yre s THR 172 Cb -0.11 -1.60 -0.02 0.00 0.01 0.00 0.00 72.50 70.78 1yre s THR 172 CO 0.51 0.51 0.58 -0.36 -0.69 0.00 0.00 174.62 175.17 1yre s PHE 173 N 0.56 3.31 -0.09 4.92 0.40 0.86 -0.35 117.98 127.60 1yre s PHE 173 Ca -0.15 0.78 0.00 0.00 -0.60 0.00 0.00 56.93 56.96 1yre s PHE 173 Cb -0.17 -2.77 -0.03 0.00 0.51 0.00 0.00 43.02 40.57 1yre s PHE 173 CO 0.05 -0.25 -0.08 0.08 0.70 0.00 0.00 175.22 175.73 1yre s VAL 174 N 2.19 3.62 0.17 -0.44 1.01 -0.48 -1.13 120.40 125.34 1yre s VAL 174 Ca 0.25 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.77 1yre s VAL 174 Cb -0.16 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 1yre s VAL 174 CO 0.09 0.57 -0.06 -0.31 0.00 0.00 0.00 175.10 175.39 1yre s TYR 175 N -0.45 1.34 0.21 5.22 2.02 0.20 0.15 117.35 126.05 1yre s TYR 175 Ca 0.06 -0.84 -0.10 0.00 -0.37 0.00 0.00 57.07 55.82 1yre s TYR 175 Cb -0.12 -0.72 -0.01 0.00 -0.40 0.00 0.00 41.96 40.71 1yre s TYR 175 CO 0.02 0.01 0.37 -1.54 -1.57 0.00 0.00 175.55 172.84 1yre s SER 176 N -3.21 -0.03 -0.06 2.29 1.04 -0.55 -1.79 113.70 111.40 1yre s SER 176 Ca 0.21 -0.96 0.05 0.00 0.48 0.00 0.00 55.95 55.73 1yre s SER 176 Cb 0.04 0.51 -0.01 0.00 0.10 0.00 0.00 66.02 66.67 1yre s SER 176 CO 0.03 -1.02 -0.22 -0.63 0.98 0.00 0.00 173.24 172.38 1yre s ILE 177 N -4.02 1.82 0.30 -1.02 1.01 -0.65 -1.47 121.20 117.17 1yre s ILE 177 Ca 0.23 -0.93 0.07 0.00 0.00 0.00 0.00 60.65 60.02 1yre s ILE 177 Cb 0.02 -1.55 -0.02 0.00 0.01 0.00 0.00 42.46 40.91 1yre s ILE 177 CO 0.06 0.51 0.34 0.42 0.00 0.00 0.00 174.94 176.27 1yre s THR 178 N -0.01 4.18 0.44 2.92 -4.23 -1.26 -0.73 115.64 116.95 1yre s THR 178 Ca -0.06 -1.20 0.22 0.00 -1.18 0.00 0.00 61.69 59.47 1yre s THR 178 Cb -0.14 -3.41 0.42 0.00 1.34 0.00 0.00 72.50 70.71 1yre s THR 178 CO 0.04 -0.23 1.83 -2.24 -0.54 0.00 0.00 174.62 173.47 1yre h ASP 179 N 1.18 0.31 0.22 3.99 2.03 -1.60 -0.83 116.42 121.73 1yre h ASP 179 Ca -0.47 0.04 -0.12 0.00 -0.73 0.00 0.00 57.03 55.76 1yre h ASP 179 Cb 1.25 -0.01 -0.01 0.00 -0.83 0.00 0.00 39.33 39.72 1yre h ASP 179 CO 0.58 0.10 -0.44 0.45 -1.03 0.00 0.00 179.24 178.89 1yre h HIS 180 N 0.30 0.32 0.00 4.15 3.86 -1.94 -2.97 115.15 118.87 1yre h HIS 180 Ca 0.51 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.63 1yre h HIS 180 Cb 1.47 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.87 1yre h HIS 180 CO -0.00 0.67 -0.18 0.93 0.86 0.00 0.00 177.93 180.21 1yre h GLU 181 N 0.23 0.00 -0.53 2.45 5.08 -1.55 -3.40 114.58 116.86 1yre h GLU 181 Ca 0.02 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.47 1yre h GLU 181 Cb 0.87 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.05 1yre h GLU 181 CO 0.07 0.00 0.11 2.35 -1.00 0.00 0.00 179.01 180.54 1yre h TRP 182 N 0.00 0.17 -0.85 4.33 -0.00 -1.26 -1.12 115.95 117.23 1yre h TRP 182 Ca 0.00 0.03 0.14 0.00 -0.00 0.00 0.00 58.89 59.06 1yre h TRP 182 Cb 0.96 0.00 -0.09 0.00 -0.00 0.00 0.00 29.16 30.03 1yre h TRP 182 CO 0.00 -0.01 0.44 -1.35 -0.00 0.00 0.00 178.44 177.51 1yre h PRO 183 N 0.24 0.62 -0.07 2.65 0.11 -1.77 0.65 132.00 134.42 1yre h PRO 183 Ca 0.27 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.19 1yre h PRO 183 Cb 0.38 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 31.36 1yre h PRO 183 CO -0.35 0.41 -0.54 1.96 -0.21 0.00 0.00 178.00 179.26 1yre h GLN 184 N 0.64 0.50 -0.29 1.05 7.50 -1.74 -1.38 115.11 121.39 1yre h GLN 184 Ca 0.46 -0.44 0.05 0.00 0.50 0.00 0.00 58.65 59.22 1yre h GLN 184 Cb 0.63 0.10 -0.05 0.00 0.05 0.00 0.00 27.48 28.21 1yre h GLN 184 CO -0.35 1.07 -0.01 0.28 -1.50 0.00 0.00 178.83 178.32 1yre h VAL 185 N 0.07 0.78 -0.46 -0.54 2.07 -0.72 -1.50 116.25 115.96 1yre h VAL 185 Ca -0.05 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.52 1yre h VAL 185 Cb 1.20 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 31.62 1yre h VAL 185 CO 0.11 0.01 0.14 0.50 0.02 0.00 0.00 177.57 178.35 1yre h LYS 186 N 0.07 0.29 -0.35 1.57 3.64 0.28 -0.72 116.57 121.34 1yre h LYS 186 Ca 0.14 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1yre h LYS 186 Cb 0.19 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1yre h LYS 186 CO -0.24 0.19 0.23 0.00 -2.27 0.00 0.00 179.45 177.36 1yre h ALA 187 N 1.32 0.44 -0.26 5.00 0.00 -0.91 0.26 119.26 125.13 1yre h ALA 187 Ca 0.22 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1yre h ALA 187 Cb 0.24 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1yre h ALA 187 CO -0.25 -0.09 -0.28 0.00 0.00 0.00 0.00 179.25 178.63 1yre h ALA 188 N 1.12 0.38 -0.26 0.00 0.00 -1.07 -1.60 119.26 117.83 1yre h ALA 188 Ca 0.13 -0.40 0.06 0.00 0.00 0.00 0.00 54.91 54.70 1yre h ALA 188 Cb -0.05 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 1yre h ALA 188 CO -0.03 0.39 -0.14 -0.07 0.00 0.00 0.00 179.25 179.40 1yre h LEU 189 N 0.36 -0.48 -0.40 0.00 3.38 -1.01 -1.28 115.31 115.89 1yre h LEU 189 Ca 0.04 0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.19 1yre h LEU 189 Cb 0.85 0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.80 1yre h LEU 189 CO 0.07 -0.18 -0.02 -0.33 0.09 0.00 0.00 178.44 178.07 1yre h GLU 190 N -0.12 0.08 -0.68 1.13 5.08 -0.81 -1.55 114.58 117.71 1yre h GLU 190 Ca 0.14 -0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.60 1yre h GLU 190 Cb 0.33 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.48 1yre h GLU 190 CO -0.34 0.05 0.29 0.00 -1.00 0.00 0.00 179.01 178.02 1yre h ALA 191 N 1.36 0.92 0.00 3.43 0.00 -1.22 -2.22 119.26 121.53 1yre h ALA 191 Ca 0.19 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1yre h ALA 191 Cb 0.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1yre h ALA 191 CO -0.34 -0.14 0.00 -1.13 0.00 0.00 0.00 179.25 177.64 1yre n SER 192 N -4.94 0.40 0.11 0.00 3.41 -0.49 -2.39 113.62 109.71 1yre n SER 192 Ca 0.11 0.62 0.12 0.00 -0.26 0.00 0.00 58.87 59.46 1yre n SER 192 Cb 0.31 -0.70 0.02 0.00 -0.26 0.00 0.00 64.21 63.58 1yre n SER 192 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1yre h PHE 193 N 0.00 0.00 -0.01 7.33 0.05 -1.21 -3.51 116.94 119.58 1yre h PHE 193 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1yre h PHE 193 Cb 0.23 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.18 1yre h PHE 193 CO 0.00 0.00 0.00 2.41 -0.18 0.00 0.00 178.31 180.54