#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 0.66 0.08 -4.13 2.36 -1.26 -5.07 119.74 112.38 1yre s LYS 9 Ca 0.00 -1.28 -0.31 0.00 -2.55 0.00 0.00 55.97 51.83 1yre s LYS 9 Cb 0.00 -1.06 -0.08 0.00 -1.05 0.00 0.00 37.83 35.64 1yre s LYS 9 CO 0.00 -1.24 1.63 -2.14 1.55 0.00 0.00 175.35 175.15 1yre s PRO 10 N 1.03 4.20 0.29 4.03 0.02 -1.26 -5.02 135.00 138.29 1yre s PRO 10 Ca 0.20 2.32 0.06 0.00 0.02 0.00 0.00 61.00 63.61 1yre s PRO 10 Cb -0.15 -3.55 -0.02 0.00 0.02 0.00 0.00 34.50 30.80 1yre s PRO 10 CO -0.04 -0.71 0.36 -0.51 -0.33 0.00 0.00 177.00 175.77 1yre s LEU 11 N 2.47 4.03 -0.99 -5.54 1.43 -1.26 -5.04 118.68 113.77 1yre s LEU 11 Ca 0.73 -0.14 -0.22 0.00 -1.03 0.00 0.00 54.13 53.47 1yre s LEU 11 Cb -0.40 -2.66 0.07 0.00 0.03 0.00 0.00 46.19 43.24 1yre s LEU 11 CO 0.32 -0.23 1.36 -2.16 0.23 0.00 0.00 176.35 175.88 1yre s PRO 12 N -4.03 3.59 0.27 1.29 0.05 -1.26 -4.98 135.00 129.94 1yre s PRO 12 Ca 0.39 -1.28 -0.03 0.00 0.05 0.00 0.00 61.00 60.12 1yre s PRO 12 Cb -0.09 -5.24 -0.05 0.00 0.05 0.00 0.00 34.50 29.18 1yre s PRO 12 CO 0.29 -2.09 0.50 -1.50 0.05 0.00 0.00 177.00 174.24 1yre s ILE 13 N 4.38 5.09 -0.18 0.56 2.07 -1.26 -4.78 121.20 127.08 1yre s ILE 13 Ca 0.42 -0.14 -0.08 0.00 -1.41 0.00 0.00 60.65 59.44 1yre s ILE 13 Cb -0.01 -3.75 -0.04 0.00 0.13 0.00 0.00 42.46 38.78 1yre s ILE 13 CO -0.10 -0.31 0.08 -0.89 -1.91 0.00 0.00 174.94 171.82 1yre s THR 14 N -2.05 4.94 0.04 4.00 2.01 -1.26 -4.05 115.64 119.28 1yre s THR 14 Ca 0.42 0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.47 1yre s THR 14 Cb -0.11 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 1yre s THR 14 CO 0.30 0.46 0.00 -0.76 -0.69 0.00 0.00 174.62 173.94 1yre s LEU 15 N 0.33 3.50 -0.08 4.42 1.43 0.62 -4.96 118.68 123.94 1yre s LEU 15 Ca 0.04 -0.08 -0.06 0.00 -1.03 0.00 0.00 54.13 53.00 1yre s LEU 15 Cb -0.12 -2.11 0.02 0.00 0.03 0.00 0.00 46.19 44.02 1yre s LEU 15 CO -0.00 0.23 0.20 -1.58 0.23 0.00 0.00 176.35 175.43 1yre s GLN 16 N -1.90 0.22 -0.21 1.70 0.74 -1.26 -0.48 119.66 118.48 1yre s GLN 16 Ca 0.22 0.32 -0.04 0.00 0.05 0.00 0.00 55.36 55.92 1yre s GLN 16 Cb -0.12 0.06 0.09 0.00 1.10 0.00 0.00 33.01 34.14 1yre s GLN 16 CO 0.14 -0.06 0.20 0.50 -0.55 0.00 0.00 175.29 175.52 1yre s ARG 17 N 0.34 0.17 6.11 1.67 3.00 -0.47 -5.03 118.95 124.74 1yre s ARG 17 Ca -0.02 0.09 0.00 0.00 -1.00 0.00 0.00 55.73 54.80 1yre s ARG 17 Cb -0.03 -1.30 0.00 0.00 0.00 0.00 0.00 34.95 33.62 1yre s ARG 17 CO -0.01 -0.70 0.00 0.41 0.00 0.00 0.00 175.30 175.00 1yre n GLY 18 N 5.31 3.75 0.27 8.12 0.00 -1.26 -1.01 105.19 120.36 1yre n GLY 18 Ca -0.06 0.13 0.15 0.00 0.00 0.00 0.00 46.02 46.25 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 11.94 2.62 -2.67 4.61 0.00 -1.26 -4.81 120.51 130.94 1yre n ALA 19 Ca 0.00 -0.34 -0.41 0.00 0.00 0.00 0.00 53.44 52.69 1yre n ALA 19 Cb 0.00 -1.32 -0.04 0.00 0.00 0.00 0.00 19.45 18.09 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 -1.98 4.17 0.04 0.00 2.96 -0.18 -0.72 118.68 122.97 1yre s LEU 20 Ca 0.42 1.15 0.06 0.00 -0.22 0.00 0.00 54.13 55.55 1yre s LEU 20 Cb 0.21 -3.22 -0.02 0.00 0.50 0.00 0.00 46.19 43.66 1yre s LEU 20 CO 0.35 -0.39 -0.19 -0.13 -1.32 0.00 0.00 176.35 174.67 1yre s ARG 21 N 2.14 1.28 -0.22 1.98 0.52 0.22 -1.37 118.95 123.51 1yre s ARG 21 Ca 0.38 -0.86 -0.02 0.00 -0.52 0.00 0.00 55.73 54.70 1yre s ARG 21 Cb -0.16 -1.35 0.00 0.00 0.52 0.00 0.00 34.95 33.96 1yre s ARG 21 CO 0.12 0.35 -0.08 -0.51 0.02 0.00 0.00 175.30 175.19 1yre s LEU 22 N -1.08 2.76 0.05 2.53 1.43 0.37 -0.87 118.68 123.87 1yre s LEU 22 Ca 0.06 -0.54 0.06 0.00 -1.03 0.00 0.00 54.13 52.68 1yre s LEU 22 Cb -0.08 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 1yre s LEU 22 CO 0.01 -0.03 -0.17 -1.61 0.23 0.00 0.00 176.35 174.78 1yre s GLU 23 N 1.41 1.06 0.08 1.70 2.02 -0.93 -0.27 118.70 123.77 1yre s GLU 23 Ca 0.05 -0.86 -0.35 0.00 0.02 0.00 0.00 54.97 53.82 1yre s GLU 23 Cb -0.14 -1.13 -0.14 0.00 0.10 0.00 0.00 34.13 32.82 1yre s GLU 23 CO -0.06 0.28 1.58 -2.30 0.02 0.00 0.00 175.26 174.78 1yre n PRO 24 N 1.75 1.87 -1.66 0.39 -0.02 -1.26 -0.97 135.00 135.10 1yre n PRO 24 Ca -0.18 0.68 -0.45 0.00 -2.02 0.00 0.00 63.50 61.52 1yre n PRO 24 Cb 0.54 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 1yre n PRO 24 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1yre n LEU 25 N 3.86 2.89 -4.35 2.45 7.94 -0.53 -4.65 117.00 124.62 1yre n LEU 25 Ca 0.19 1.15 -0.18 0.00 -1.11 0.00 0.00 56.01 56.06 1yre n LEU 25 Cb 0.26 -1.40 -0.10 0.00 0.53 0.00 0.00 43.42 42.70 1yre n LEU 25 CO 0.66 -0.63 -0.36 0.68 -1.11 0.00 0.00 177.39 176.62 1yre s VAL 26 N -0.22 1.34 0.49 1.96 -7.23 -1.26 -4.95 120.40 110.52 1yre s VAL 26 Ca 0.67 -2.09 0.16 0.00 -1.81 0.00 0.00 61.98 58.91 1yre s VAL 26 Cb -0.67 -2.28 0.30 0.00 0.56 0.00 0.00 36.38 34.29 1yre s VAL 26 CO 0.52 -0.40 2.08 -0.33 -0.31 0.00 0.00 175.10 176.65 1yre h GLU 27 N 2.46 0.17 0.00 4.82 3.07 -1.97 -0.01 114.58 123.10 1yre h GLU 27 Ca -0.39 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.46 1yre h GLU 27 Cb 1.22 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 29.09 1yre h GLU 27 CO 0.65 0.11 -0.03 0.00 -1.40 0.00 0.00 179.01 178.34 1yre h ALA 28 N 1.85 1.12 0.00 3.43 0.00 -2.01 -2.53 119.26 121.12 1yre h ALA 28 Ca 0.12 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1yre h ALA 28 Cb 0.27 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1yre h ALA 28 CO -0.02 0.04 -0.64 -0.44 0.00 0.00 0.00 179.25 178.19 1yre h ASP 29 N 0.00 0.00 -0.20 0.00 3.32 -1.41 -3.41 116.42 114.72 1yre h ASP 29 Ca -0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 1yre h ASP 29 Cb 0.19 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1yre h ASP 29 CO 0.00 0.41 -0.05 0.40 -1.72 0.00 0.00 179.24 178.28 1yre h ILE 30 N 0.00 1.29 -0.41 0.35 2.04 -1.56 -0.90 117.51 118.32 1yre h ILE 30 Ca -0.03 -1.03 0.08 0.00 1.00 0.00 0.00 64.86 64.88 1yre h ILE 30 Cb 1.34 1.56 -0.09 0.00 -0.74 0.00 0.00 36.82 38.88 1yre h ILE 30 CO 0.05 0.31 -0.29 -0.65 0.00 0.00 0.00 178.15 177.57 1yre h PRO 31 N 0.11 -0.21 -0.70 2.37 0.11 -1.79 0.17 132.00 132.06 1yre h PRO 31 Ca 0.05 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1yre h PRO 31 Cb 0.50 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.62 1yre h PRO 31 CO 0.02 -0.14 0.45 1.49 -0.21 0.00 0.00 178.00 179.61 1yre h GLU 32 N -0.22 0.94 -0.52 1.05 4.81 -1.77 -1.96 114.58 116.91 1yre h GLU 32 Ca 0.18 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1yre h GLU 32 Cb 0.51 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1yre h GLU 32 CO -0.53 0.64 0.26 -0.07 -0.73 0.00 0.00 179.01 178.57 1yre h LEU 33 N 0.96 0.67 -0.63 1.64 3.38 -0.92 -2.00 115.31 118.41 1yre h LEU 33 Ca 0.26 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1yre h LEU 33 Cb -0.08 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1yre h LEU 33 CO -0.05 0.60 0.42 0.58 0.09 0.00 0.00 178.44 180.08 1yre h VAL 34 N 0.69 1.16 -0.41 1.22 2.07 -0.40 0.49 116.25 121.07 1yre h VAL 34 Ca 0.18 -0.29 -0.09 0.00 0.82 0.00 0.00 66.70 67.32 1yre h VAL 34 Cb 0.10 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1yre h VAL 34 CO -0.02 0.16 -0.07 0.28 0.02 0.00 0.00 177.57 177.93 1yre h SER 35 N 0.85 0.78 -0.87 0.57 0.02 -1.30 -1.35 113.55 112.26 1yre h SER 35 Ca 0.23 -0.35 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 1yre h SER 35 Cb -0.10 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.19 1yre h SER 35 CO -0.05 0.95 0.46 0.25 -1.14 0.00 0.00 176.83 177.29 1yre h LEU 36 N 0.60 1.11 -0.29 5.07 5.85 -1.08 -1.22 115.31 125.36 1yre h LEU 36 Ca 0.11 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1yre h LEU 36 Cb 0.59 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1yre h LEU 36 CO 0.04 0.91 -0.08 0.00 -0.34 0.00 0.00 178.44 178.96 1yre h ALA 37 N 1.26 0.40 -0.41 1.25 0.00 -0.72 -2.09 119.26 118.95 1yre h ALA 37 Ca 0.31 -0.29 0.09 0.00 0.00 0.00 0.00 54.91 55.01 1yre h ALA 37 Cb 0.07 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.67 1yre h ALA 37 CO -0.04 0.23 -0.19 0.93 0.00 0.00 0.00 179.25 180.18 1yre h GLU 38 N 0.32 -0.11 -0.97 0.00 5.08 -1.12 0.17 114.58 117.95 1yre h GLU 38 Ca 0.07 0.01 0.26 0.00 -1.00 0.00 0.00 59.36 58.70 1yre h GLU 38 Cb 0.57 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 1yre h GLU 38 CO 0.03 -0.07 0.67 0.00 -1.00 0.00 0.00 179.01 178.64 1yre h ALA 39 N 1.18 2.64 -0.75 3.43 0.00 -0.82 -1.90 119.26 123.05 1yre h ALA 39 Ca 0.20 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.73 1yre h ALA 39 Cb 0.42 0.04 -0.22 0.00 0.00 0.00 0.00 17.79 18.03 1yre h ALA 39 CO -0.48 -0.94 0.37 0.09 0.00 0.00 0.00 179.25 178.28 1yre n ASN 40 N -4.37 3.38 -0.24 0.00 4.13 0.47 -4.80 115.26 113.82 1yre n ASN 40 Ca 0.21 -3.64 0.02 0.00 1.68 0.00 0.00 54.58 52.85 1yre n ASN 40 Cb 0.93 -0.76 0.15 0.00 -1.54 0.00 0.00 39.78 38.56 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 1.13 0.53 -0.00 3.52 2.43 -0.39 -2.15 114.38 119.45 1yre h ARG 41 Ca 0.46 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 59.43 1yre h ARG 41 Cb 2.40 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 31.81 1yre h ARG 41 CO 0.82 0.35 -0.77 1.49 -1.51 0.00 0.00 179.97 180.35 1yre h GLU 42 N 0.54 0.02 0.00 0.20 4.81 -1.87 -2.31 114.58 115.98 1yre h GLU 42 Ca 0.36 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.55 1yre h GLU 42 Cb 0.43 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 1yre h GLU 42 CO -0.30 0.78 -0.08 0.00 -0.73 0.00 0.00 179.01 178.69 1yre h ALA 43 N 1.21 1.33 -0.44 2.92 0.00 -1.78 -3.08 119.26 119.42 1yre h ALA 43 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1yre h ALA 43 Cb 1.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1yre h ALA 43 CO 0.10 0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.73 1yre n LEU 44 N -3.65 2.82 0.30 0.00 4.77 -0.87 -4.50 117.00 115.86 1yre n LEU 44 Ca -0.02 -1.32 0.19 0.00 -0.03 0.00 0.00 56.01 54.83 1yre n LEU 44 Cb 0.19 -0.29 0.86 0.00 -2.33 0.00 0.00 43.42 41.85 1yre n LEU 44 CO 0.29 0.66 1.06 0.06 -1.33 0.00 0.00 177.39 178.12 1yre h GLN 45 N 3.34 0.00 -0.05 3.23 3.07 -1.51 -0.75 115.11 122.44 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 0.75 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.31 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 0.05 -4.63 0.06 4.01 -1.26 -0.24 117.16 112.07 1yre n TYR 46 Ca -0.01 -0.03 -0.31 0.00 -0.16 0.00 0.00 57.90 57.40 1yre n TYR 46 Cb 0.23 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.14 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 -1.95 2.22 -0.54 -0.72 -1.94 -0.29 -4.58 119.30 111.50 1yre s MET 47 Ca 0.37 -0.90 -0.19 0.00 -1.71 0.00 0.00 55.69 53.27 1yre s MET 47 Cb 0.19 -2.27 0.08 0.00 2.01 0.00 0.00 34.83 34.84 1yre s MET 47 CO 0.31 0.56 0.63 0.34 -0.01 0.00 0.00 175.02 176.85 1yre s ASP 48 N -1.39 6.20 0.00 3.03 2.15 -1.26 -3.19 116.67 122.21 1yre s ASP 48 Ca 0.15 -1.22 0.00 0.00 0.43 0.00 0.00 52.55 51.92 1yre s ASP 48 Cb -0.11 -2.28 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 1yre s ASP 48 CO 0.06 -0.96 0.00 0.61 -0.17 0.00 0.00 175.17 174.70 1yre n GLY 49 N 5.23 0.47 0.00 2.66 0.00 -1.26 -5.00 105.19 107.29 1yre n GLY 49 Ca -0.09 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.98 1yre n GLY 49 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1yre n PRO 50 N -1.59 0.15 -0.05 1.61 -0.04 -1.26 -2.14 135.00 131.68 1yre n PRO 50 Ca 0.00 0.17 0.12 0.00 -0.04 0.00 0.00 63.50 63.76 1yre n PRO 50 Cb 0.00 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.33 1yre n PRO 50 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1yre n THR 51 N -1.25 0.13 -4.92 0.52 -2.24 -1.26 -4.79 114.28 100.47 1yre n THR 51 Ca 0.05 -0.39 -0.29 0.00 -2.27 0.00 0.00 64.05 61.15 1yre n THR 51 Cb 0.07 0.68 -0.15 0.00 -2.10 0.00 0.00 70.33 68.83 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 -1.87 1.74 0.52 -0.78 0.52 -0.91 -4.78 118.95 113.39 1yre s ARG 52 Ca 0.35 -1.01 0.22 0.00 -0.52 0.00 0.00 55.73 54.76 1yre s ARG 52 Cb 0.20 -1.84 1.32 0.00 0.52 0.00 0.00 34.95 35.15 1yre s ARG 52 CO 0.30 0.48 2.03 -1.35 0.02 0.00 0.00 175.30 176.79 1yre h PRO 53 N 4.99 0.04 -0.16 3.54 0.11 -1.91 -2.76 132.00 135.86 1yre h PRO 53 Ca -0.44 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1yre h PRO 53 Cb 1.14 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1yre h PRO 53 CO 0.45 0.03 0.04 0.38 -0.21 0.00 0.00 178.00 178.69 1yre h ASP 54 N 0.05 0.19 -0.58 -2.05 2.03 -1.96 -1.97 116.42 112.13 1yre h ASP 54 Ca 0.19 -0.01 0.02 0.00 -0.73 0.00 0.00 57.03 56.49 1yre h ASP 54 Cb 0.70 -0.05 -0.03 0.00 -0.83 0.00 0.00 39.33 39.11 1yre h ASP 54 CO -0.01 0.20 0.37 -0.25 -1.03 0.00 0.00 179.24 178.52 1yre h TRP 55 N 0.22 0.70 -0.22 4.15 7.01 -1.68 0.01 115.95 126.13 1yre h TRP 55 Ca 0.06 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 60.99 1yre h TRP 55 Cb 0.09 -0.23 -0.00 0.00 -2.10 0.00 0.00 29.16 26.91 1yre h TRP 55 CO 0.00 0.42 -0.17 1.88 -2.79 0.00 0.00 178.44 177.78 1yre h TYR 56 N 0.75 0.60 -0.21 2.65 0.05 -1.54 -2.90 116.97 116.38 1yre h TYR 56 Ca 0.22 -0.17 -0.11 0.00 0.05 0.00 0.00 58.73 58.73 1yre h TYR 56 Cb -0.04 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.56 1yre h TYR 56 CO -0.04 0.83 -0.33 0.00 -1.05 0.00 0.00 178.16 177.57 1yre h ARG 57 N 0.21 0.42 -0.98 4.88 3.08 -1.41 -2.52 114.38 118.07 1yre h ARG 57 Ca 0.04 -0.18 0.01 0.00 0.07 0.00 0.00 59.98 59.92 1yre h ARG 57 Cb 0.70 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.69 1yre h ARG 57 CO 0.05 0.70 0.65 0.37 -1.07 0.00 0.00 179.97 180.66 1yre h GLN 58 N 0.36 1.28 -0.15 0.04 5.75 -0.95 0.17 115.11 121.61 1yre h GLN 58 Ca 0.04 -0.08 -0.12 0.00 -0.15 0.00 0.00 58.65 58.35 1yre h GLN 58 Cb 0.75 -0.29 -0.01 0.00 1.07 0.00 0.00 27.48 29.00 1yre h GLN 58 CO 0.06 0.85 -0.42 0.66 -2.65 0.00 0.00 178.83 177.33 1yre h SER 59 N 1.32 0.36 0.20 -0.69 4.64 -1.30 -0.78 113.55 117.31 1yre h SER 59 Ca 0.36 -0.16 -0.22 0.00 -0.47 0.00 0.00 61.79 61.30 1yre h SER 59 Cb -0.15 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 61.85 1yre h SER 59 CO -0.08 0.75 -0.89 -0.07 -0.87 0.00 0.00 176.83 175.66 1yre h LEU 60 N 0.29 0.64 -0.45 5.97 3.38 -1.09 -1.73 115.31 122.32 1yre h LEU 60 Ca 0.02 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 1yre h LEU 60 Cb 0.86 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1yre h LEU 60 CO 0.07 1.27 0.20 0.00 0.09 0.00 0.00 178.44 180.06 1yre h ALA 61 N 0.70 0.58 -0.85 1.53 0.00 -0.50 -0.10 119.26 120.61 1yre h ALA 61 Ca -0.07 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.74 1yre h ALA 61 Cb 1.52 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 19.08 1yre h ALA 61 CO 0.16 0.16 0.55 0.93 0.00 0.00 0.00 179.25 181.05 1yre h GLU 62 N 0.58 1.05 -0.18 0.00 5.08 -1.12 -2.57 114.58 117.41 1yre h GLU 62 Ca 0.15 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1yre h GLU 62 Cb 0.16 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1yre h GLU 62 CO -0.02 0.69 0.10 0.37 -1.00 0.00 0.00 179.01 179.16 1yre h GLN 63 N 1.08 0.25 -1.06 2.33 4.15 -1.12 0.18 115.11 120.92 1yre h GLN 63 Ca 0.34 -0.03 0.30 0.00 0.77 0.00 0.00 58.65 60.03 1yre h GLN 63 Cb -0.01 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.58 1yre h GLN 63 CO -0.11 0.25 0.75 0.00 -1.93 0.00 0.00 178.83 177.79 1yre h ARG 64 N 0.19 0.07 -0.10 1.69 3.08 -0.64 0.11 114.38 118.79 1yre h ARG 64 Ca 0.06 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1yre h ARG 64 Cb 0.07 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1yre h ARG 64 CO -0.01 0.05 0.00 0.39 -1.07 0.00 0.00 179.97 179.33 1yre n GLU 65 N -4.29 1.57 -1.19 0.04 4.71 -0.71 -4.94 120.64 115.84 1yre n GLU 65 Ca 0.23 -0.85 -0.06 0.00 -0.01 0.00 0.00 57.16 56.47 1yre n GLU 65 Cb 1.08 -1.41 -0.03 0.00 -1.01 0.00 0.00 31.44 30.08 1yre n GLU 65 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1yre n GLY 66 N 1.09 0.84 0.00 0.62 0.00 0.37 -4.91 105.19 103.20 1yre n GLY 66 Ca 0.17 -0.78 0.05 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.81 2.93 -3.89 1.61 1.74 0.56 -4.96 116.66 111.83 1yre n ARG 67 Ca -0.06 -0.01 -0.09 0.00 -0.77 0.00 0.00 57.85 56.92 1yre n ARG 67 Cb 0.20 -1.06 -0.08 0.00 -1.02 0.00 0.00 32.46 30.51 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 -2.15 -0.13 -0.60 7.54 0.00 -1.19 -3.74 121.76 121.48 1yre s ALA 68 Ca 0.03 -0.67 0.05 0.00 0.00 0.00 0.00 51.96 51.37 1yre s ALA 68 Cb 0.08 0.43 0.18 0.00 0.00 0.00 0.00 23.12 23.81 1yre s ALA 68 CO 0.46 -0.47 0.46 1.28 0.00 0.00 0.00 175.76 177.49 1yre n LEU 69 N 0.05 1.86 -4.78 0.00 4.77 0.19 -4.05 117.00 115.05 1yre n LEU 69 Ca -0.15 -4.94 -0.37 0.00 -0.03 0.00 0.00 56.01 50.52 1yre n LEU 69 Cb 0.62 -0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 41.37 1yre n LEU 69 CO 0.23 1.82 0.72 -2.16 -1.33 0.00 0.00 177.39 176.67 1yre s PRO 70 N -1.04 4.27 -0.00 3.23 0.04 -1.26 -2.42 135.00 137.82 1yre s PRO 70 Ca 0.29 1.47 0.03 0.00 0.04 0.00 0.00 61.00 62.83 1yre s PRO 70 Cb 0.00 -2.61 -0.01 0.00 0.04 0.00 0.00 34.50 31.93 1yre s PRO 70 CO -0.17 -0.04 -0.09 -0.51 0.04 0.00 0.00 177.00 176.24 1yre s LEU 71 N -2.50 2.04 -0.14 -3.56 1.43 0.34 -1.45 118.68 114.85 1yre s LEU 71 Ca 0.56 -0.19 -0.10 0.00 -1.03 0.00 0.00 54.13 53.37 1yre s LEU 71 Cb -0.21 -0.42 -0.05 0.00 0.03 0.00 0.00 46.19 45.54 1yre s LEU 71 CO 0.27 0.08 0.20 0.00 0.23 0.00 0.00 176.35 177.13 1yre s ALA 72 N -0.29 3.74 -0.26 4.21 0.00 -0.14 -2.21 121.76 126.81 1yre s ALA 72 Ca 0.02 -0.56 -0.10 0.00 0.00 0.00 0.00 51.96 51.32 1yre s ALA 72 Cb -0.04 -2.17 -0.05 0.00 0.00 0.00 0.00 23.12 20.87 1yre s ALA 72 CO -0.00 0.36 0.16 0.08 0.00 0.00 0.00 175.76 176.36 1yre s VAL 73 N -0.34 5.16 -0.05 0.00 1.01 -0.15 -2.19 120.40 123.85 1yre s VAL 73 Ca 0.15 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.28 1yre s VAL 73 Cb -0.13 -3.44 -0.00 0.00 0.00 0.00 0.00 36.38 32.82 1yre s VAL 73 CO 0.04 0.30 -0.18 -0.13 0.00 0.00 0.00 175.10 175.12 1yre s ARG 74 N 1.51 1.91 -0.28 2.72 0.52 -0.05 -2.00 118.95 123.29 1yre s ARG 74 Ca 0.07 -0.64 -0.07 0.00 -0.52 0.00 0.00 55.73 54.57 1yre s ARG 74 Cb -0.15 -1.64 -0.01 0.00 0.52 0.00 0.00 34.95 33.68 1yre s ARG 74 CO 0.08 0.24 0.07 -0.51 0.02 0.00 0.00 175.30 175.20 1yre s LEU 75 N 0.07 3.67 0.00 2.53 1.43 0.30 -0.61 118.68 126.08 1yre s LEU 75 Ca -0.05 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 1yre s LEU 75 Cb -0.12 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1yre s LEU 75 CO 0.03 -0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.09 1yre n GLY 76 N 4.89 0.58 0.00 -3.19 0.00 0.10 0.36 105.19 107.94 1yre n GLY 76 Ca -0.15 0.73 0.04 0.00 0.00 0.00 0.00 46.02 46.64 1yre n GLY 76 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1yre n VAL 77 N 0.00 0.00 -2.51 1.61 0.31 -1.26 -4.89 118.33 111.59 1yre n VAL 77 Ca 0.00 -0.28 -0.42 0.00 -0.01 0.00 0.00 64.34 63.62 1yre n VAL 77 Cb 0.00 1.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.90 1yre n VAL 77 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1yre s GLN 78 N -1.87 4.39 -0.06 5.55 0.74 0.16 -5.03 119.66 123.54 1yre s GLN 78 Ca 0.04 1.62 -0.30 0.00 0.05 0.00 0.00 55.36 56.76 1yre s GLN 78 Cb 0.07 -3.52 -0.02 0.00 1.10 0.00 0.00 33.01 30.64 1yre s GLN 78 CO 0.38 -0.38 1.01 -1.17 -0.55 0.00 0.00 175.29 174.58 1yre s LEU 79 N 1.97 4.30 0.00 3.68 2.96 -1.26 -0.54 118.68 129.79 1yre s LEU 79 Ca 0.55 1.60 0.00 0.00 -0.22 0.00 0.00 54.13 56.05 1yre s LEU 79 Cb -0.24 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.89 1yre s LEU 79 CO 0.22 -0.38 0.15 0.55 -1.32 0.00 0.00 176.35 175.57 1yre n VAL 80 N 4.28 0.00 -1.36 1.68 3.14 -0.84 -4.98 118.33 120.24 1yre n VAL 80 Ca 0.08 -0.20 0.00 0.00 -2.96 0.00 0.00 64.34 61.25 1yre n VAL 80 Cb 0.50 1.43 0.00 0.00 -1.06 0.00 0.00 33.84 34.70 1yre n VAL 80 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1yre n GLY 81 N 0.11 0.27 3.29 7.55 0.00 -1.23 0.20 105.19 115.39 1yre n GLY 81 Ca 0.00 -1.45 -0.11 0.00 0.00 0.00 0.00 46.02 44.46 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 -3.26 0.08 0.26 2.61 -1.32 -0.56 -0.98 115.64 112.47 1yre s THR 82 Ca 0.00 -0.66 -0.21 0.00 -1.21 0.00 0.00 61.69 59.60 1yre s THR 82 Cb 0.00 -1.15 0.04 0.00 -1.51 0.00 0.00 72.50 69.89 1yre s THR 82 CO 0.00 -0.37 0.83 0.28 -2.21 0.00 0.00 174.62 173.15 1yre s THR 83 N -3.53 0.00 -0.22 5.08 -1.32 -0.94 -1.48 115.64 113.22 1yre s THR 83 Ca 0.01 -0.87 -0.22 0.00 -1.21 0.00 0.00 61.69 59.40 1yre s THR 83 Cb 0.02 -2.23 0.06 0.00 -1.51 0.00 0.00 72.50 68.84 1yre s THR 83 CO -0.10 0.00 0.62 -0.60 -2.21 0.00 0.00 174.62 172.33 1yre s ARG 84 N -3.31 0.74 -0.08 7.08 3.52 -0.55 -0.50 118.95 125.84 1yre s ARG 84 Ca 0.13 0.83 -0.12 0.00 -0.13 0.00 0.00 55.73 56.45 1yre s ARG 84 Cb -0.04 0.36 -0.05 0.00 -1.56 0.00 0.00 34.95 33.66 1yre s ARG 84 CO 0.06 -0.10 0.28 -0.06 -0.81 0.00 0.00 175.30 174.68 1yre s PHE 85 N 0.26 3.62 0.10 5.12 0.40 -1.01 -1.30 117.98 125.17 1yre s PHE 85 Ca -0.01 0.73 -0.03 0.00 -0.60 0.00 0.00 56.93 57.02 1yre s PHE 85 Cb -0.04 -2.17 0.01 0.00 0.51 0.00 0.00 43.02 41.33 1yre s PHE 85 CO 0.01 0.59 0.19 0.00 0.70 0.00 0.00 175.22 176.72 1yre n ALA 86 N 2.26 -0.42 -3.84 5.36 0.00 -0.05 -0.63 120.51 123.19 1yre n ALA 86 Ca -0.16 -0.33 -0.35 0.00 0.00 0.00 0.00 53.44 52.60 1yre n ALA 86 Cb 0.53 0.26 0.03 0.00 0.00 0.00 0.00 19.45 20.27 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 -0.14 -1.15 -2.15 0.00 -0.58 -1.25 0.12 120.64 115.50 1yre n GLU 87 Ca -0.02 0.33 -0.41 0.00 -0.42 0.00 0.00 57.16 56.64 1yre n GLU 87 Cb 0.15 -3.69 -0.03 0.00 -0.57 0.00 0.00 31.44 27.30 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 -3.56 3.15 -0.58 -0.32 2.99 -1.26 -3.77 117.98 114.63 1yre s PHE 88 Ca 0.42 1.25 0.01 0.00 0.00 0.00 0.00 56.93 58.61 1yre s PHE 88 Cb -0.18 -3.67 0.15 0.00 0.00 0.00 0.00 43.02 39.32 1yre s PHE 88 CO 0.90 -2.01 0.35 -0.51 -0.00 0.00 0.00 175.22 173.95 1yre s LEU 89 N -0.76 4.79 0.46 -0.37 1.43 0.13 -4.96 118.68 119.40 1yre s LEU 89 Ca 0.54 -2.94 0.13 0.00 -1.03 0.00 0.00 54.13 50.84 1yre s LEU 89 Cb -0.39 -1.75 1.08 0.00 0.03 0.00 0.00 46.19 45.16 1yre s LEU 89 CO 0.44 -0.30 2.07 -0.65 0.23 0.00 0.00 176.35 178.14 1yre h PRO 90 N 6.76 0.28 0.00 1.29 0.11 -1.95 -1.36 132.00 137.13 1yre h PRO 90 Ca -0.04 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1yre h PRO 90 Cb 0.92 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1yre h PRO 90 CO 0.70 0.19 0.00 0.00 -0.21 0.00 0.00 178.00 178.68 1yre n ALA 91 N -2.52 1.92 -0.04 -0.75 0.00 -1.26 -4.08 120.51 113.78 1yre n ALA 91 Ca 0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 53.44 53.41 1yre n ALA 91 Cb 0.19 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.28 1yre n ALA 91 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1yre h LEU 92 N 0.00 0.00-10.20 0.00 3.38 -1.84 -3.49 115.31 103.16 1yre h LEU 92 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 1yre h LEU 92 Cb 0.38 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.14 1yre h LEU 92 CO 0.00 0.44 0.14 -2.16 0.09 0.00 0.00 178.44 176.95 1yre s PRO 93 N -1.65 3.72 0.16 1.13 0.04 -1.26 -4.72 135.00 132.43 1yre s PRO 93 Ca -0.06 0.44 -0.14 0.00 0.04 0.00 0.00 61.00 61.29 1yre s PRO 93 Cb 0.01 -2.36 0.02 0.00 0.04 0.00 0.00 34.50 32.20 1yre s PRO 93 CO 0.09 -0.11 0.39 0.00 0.04 0.00 0.00 177.00 177.41 1yre s ALA 94 N -2.50 -0.57 0.35 8.56 0.00 -0.58 -1.99 121.76 125.03 1yre s ALA 94 Ca 0.51 -0.43 -0.10 0.00 0.00 0.00 0.00 51.96 51.93 1yre s ALA 94 Cb -0.10 0.78 0.03 0.00 0.00 0.00 0.00 23.12 23.82 1yre s ALA 94 CO 0.35 -0.69 0.63 0.00 0.00 0.00 0.00 175.76 176.05 1yre s GLU 96 N -2.86 2.74 -0.20 0.00 2.12 0.12 -1.55 118.70 119.07 1yre s GLU 96 Ca 0.22 -0.62 -0.05 0.00 0.36 0.00 0.00 54.97 54.88 1yre s GLU 96 Cb -0.03 -2.63 -0.03 0.00 0.26 0.00 0.00 34.13 31.70 1yre s GLU 96 CO 0.15 0.63 0.01 0.42 -0.54 0.00 0.00 175.26 175.93 1yre s ILE 97 N -1.03 4.08 0.00 -3.70 1.01 -0.65 -0.87 121.20 120.04 1yre s ILE 97 Ca 0.18 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.56 1yre s ILE 97 Cb -0.11 -2.85 0.00 0.00 0.01 0.00 0.00 42.46 39.51 1yre s ILE 97 CO 0.08 0.42 0.00 0.61 0.00 0.00 0.00 174.94 176.05 1yre n GLY 98 N 4.23 0.87 3.74 6.18 0.00 -0.42 -4.58 105.19 115.20 1yre n GLY 98 Ca -0.17 -0.62 -0.27 0.00 0.00 0.00 0.00 46.02 44.96 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 0.00 -2.63 -3.54 1.61 8.01 -1.26 -1.48 117.44 118.15 1yre n TRP 99 Ca 0.00 0.97 -0.37 0.00 -1.31 0.00 0.00 57.50 56.79 1yre n TRP 99 Cb 0.00 -4.58 -0.07 0.00 -2.01 0.00 0.00 31.31 24.65 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 -3.31 5.30 -0.00 -0.99 2.01 -1.26 -3.85 115.64 113.54 1yre s THR 100 Ca 0.62 0.51 0.00 0.00 0.31 0.00 0.00 61.69 63.13 1yre s THR 100 Cb -0.29 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.60 1yre s THR 100 CO 0.77 0.36 -0.01 -1.66 -0.69 0.00 0.00 174.62 173.40 1yre s TRP 101 N 0.67 0.13 0.19 4.92 1.48 -0.55 -5.00 118.94 120.78 1yre s TRP 101 Ca 0.15 -0.01 0.09 0.00 -1.06 0.00 0.00 56.10 55.27 1yre s TRP 101 Cb -0.13 -0.12 -0.04 0.00 -1.16 0.00 0.00 33.47 32.02 1yre s TRP 101 CO 0.04 -0.02 -0.08 -0.51 -4.06 0.00 0.00 176.95 172.32 1yre s LEU 102 N 0.13 3.01 0.46 -4.66 1.43 -1.26 -1.49 118.68 116.29 1yre s LEU 102 Ca -0.01 -0.57 -0.24 0.00 -1.03 0.00 0.00 54.13 52.28 1yre s LEU 102 Cb -0.02 -1.68 -0.08 0.00 0.03 0.00 0.00 46.19 44.43 1yre s LEU 102 CO -0.00 0.09 1.25 -0.67 0.23 0.00 0.00 176.35 177.25 1yre n ASP 103 N -0.04 2.38 -0.05 2.29 2.03 0.13 -4.90 116.55 118.39 1yre n ASP 103 Ca -0.10 1.05 0.02 0.00 0.52 0.00 0.00 54.79 56.28 1yre n ASP 103 Cb 0.56 -1.50 0.34 0.00 -0.72 0.00 0.00 41.12 39.80 1yre n ASP 103 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 1yre h GLN 104 N 1.80 0.65 -0.25 -0.67 4.15 -1.97 0.42 115.11 119.25 1yre h GLN 104 Ca -0.48 -0.06 0.07 0.00 0.77 0.00 0.00 58.65 58.94 1yre h GLN 104 Cb 1.30 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.85 1yre h GLN 104 CO 0.58 0.49 0.38 0.00 -1.93 0.00 0.00 178.83 178.35 1yre h ALA 105 N 1.62 1.83 -0.26 3.38 0.00 -1.99 0.84 119.26 124.68 1yre h ALA 105 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1yre h ALA 105 Cb 0.03 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1yre h ALA 105 CO -0.03 -0.51 0.00 1.04 0.00 0.00 0.00 179.25 179.76 1yre n GLN 106 N -3.47 2.24 -2.20 0.00 1.13 0.14 -4.87 117.38 110.35 1yre n GLN 106 Ca 0.04 -1.86 -0.42 0.00 -1.94 0.00 0.00 57.00 52.81 1yre n GLN 106 Cb 0.51 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 29.36 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 -1.67 2.64 0.00 1.08 3.76 0.29 -2.53 115.29 118.86 1yre s HIS 107 Ca 0.35 0.70 0.00 0.00 -0.15 0.00 0.00 55.06 55.96 1yre s HIS 107 Cb 0.21 -3.70 0.00 0.00 1.11 0.00 0.00 32.58 30.20 1yre s HIS 107 CO 0.30 -2.67 0.00 0.41 -0.85 0.00 0.00 174.74 171.93 1yre n GLY 108 N 3.76 0.65 0.23 -2.22 0.00 -1.26 -4.94 105.19 101.40 1yre n GLY 108 Ca 0.14 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 0.36 1.04 0.00 1.61 3.41 -1.05 -4.93 113.62 114.06 1yre n SER 109 Ca 0.00 -0.86 0.00 0.00 -0.26 0.00 0.00 58.87 57.75 1yre n SER 109 Cb 0.00 0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 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 1.38 0.87 0.06 5.00 0.00 -1.26 -4.96 105.19 106.27 1yre n GLY 110 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 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 0.06 -0.79 0.99 5.85 -1.92 -2.35 115.31 117.16 1yre h LEU 111 Ca 0.00 -0.23 0.13 0.00 0.84 0.00 0.00 57.88 58.62 1yre h LEU 111 Cb 0.00 -0.02 -0.14 0.00 0.37 0.00 0.00 40.66 40.88 1yre h LEU 111 CO 0.00 0.27 -0.34 -1.13 -0.34 0.00 0.00 178.44 176.90 1yre h ASN 112 N -0.15 -1.24 -0.97 1.25 -1.24 -1.93 -0.73 115.58 110.57 1yre h ASN 112 Ca 0.01 0.27 0.01 0.00 0.71 0.00 0.00 56.30 57.30 1yre h ASN 112 Cb 0.24 0.65 -0.05 0.00 0.73 0.00 0.00 38.32 39.88 1yre h ASN 112 CO 0.00 -0.30 0.64 0.03 -1.29 0.00 0.00 177.43 176.52 1yre h ARG 113 N -0.08 1.27 -0.25 6.67 3.08 -1.94 -2.13 114.38 121.00 1yre h ARG 113 Ca 0.30 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 60.14 1yre h ARG 113 Cb 0.58 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1yre h ARG 113 CO -0.83 0.84 -0.37 1.98 -1.07 0.00 0.00 179.97 180.52 1yre h MET 114 N 1.31 0.57 0.48 0.04 4.05 -0.85 0.02 114.93 120.54 1yre h MET 114 Ca 0.36 -0.28 -0.02 0.00 -0.28 0.00 0.00 59.70 59.48 1yre h MET 114 Cb -0.14 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.66 1yre h MET 114 CO -0.08 0.86 -0.23 0.82 0.23 0.00 0.00 176.91 178.51 1yre h ILE 115 N 0.48 0.53 -0.55 1.77 2.04 -0.67 -2.13 117.51 118.98 1yre h ILE 115 Ca 0.05 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 1yre h ILE 115 Cb 0.87 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1yre h ILE 115 CO 0.07 0.00 0.33 0.11 0.00 0.00 0.00 178.15 178.67 1yre h LYS 116 N -0.66 0.74 -0.39 2.37 1.79 -1.42 -0.60 116.57 118.39 1yre h LYS 116 Ca -0.07 -0.06 0.03 0.00 -2.18 0.00 0.00 60.65 58.37 1yre h LYS 116 Cb 0.50 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.96 1yre h LYS 116 CO 0.11 0.52 0.20 -0.92 -1.08 0.00 0.00 179.45 178.28 1yre h TYR 117 N 0.75 0.38 -0.47 -1.35 3.20 -0.79 0.30 116.97 118.99 1yre h TYR 117 Ca 0.20 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 1yre h TYR 117 Cb -0.03 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 1yre h TYR 117 CO 0.00 0.20 0.07 -0.07 -1.64 0.00 0.00 178.16 176.72 1yre h LEU 118 N 0.42 0.76 -0.50 2.82 3.38 -1.03 -0.45 115.31 120.71 1yre h LEU 118 Ca 0.17 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1yre h LEU 118 Cb 0.06 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1yre h LEU 118 CO -0.11 0.84 0.18 0.24 0.09 0.00 0.00 178.44 179.68 1yre h MET 119 N 0.66 0.76 -0.38 1.13 2.86 -0.91 -2.29 114.93 116.77 1yre h MET 119 Ca 0.14 -0.15 -0.11 0.00 -2.06 0.00 0.00 59.70 57.52 1yre h MET 119 Cb 0.41 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1yre h MET 119 CO 0.01 0.70 -0.21 -0.07 1.06 0.00 0.00 176.91 178.40 1yre h LEU 120 N 0.67 0.84 -0.84 1.22 3.38 -0.20 0.27 115.31 120.65 1yre h LEU 120 Ca 0.16 -0.41 0.06 0.00 0.09 0.00 0.00 57.88 57.78 1yre h LEU 120 Cb 0.23 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1yre h LEU 120 CO -0.01 1.07 0.52 0.50 0.09 0.00 0.00 178.44 180.61 1yre h LYS 121 N 0.61 0.91 -0.08 1.13 3.64 -1.11 0.00 116.57 121.67 1yre h LYS 121 Ca 0.08 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1yre h LYS 121 Cb 0.76 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1yre h LYS 121 CO 0.06 0.60 -0.09 1.25 -2.27 0.00 0.00 179.45 179.01 1yre h HIS 122 N 0.94 0.24 -0.39 1.91 2.76 -0.90 0.02 115.15 119.73 1yre h HIS 122 Ca 0.37 -0.07 0.08 0.00 -2.20 0.00 0.00 60.37 58.55 1yre h HIS 122 Cb 0.19 -0.05 -0.09 0.00 1.55 0.00 0.00 27.41 29.01 1yre h HIS 122 CO -0.04 0.64 -0.22 0.00 -1.30 0.00 0.00 177.93 177.02 1yre h ALA 123 N 0.56 0.05 0.08 5.26 0.00 -0.72 1.00 119.26 125.48 1yre h ALA 123 Ca 0.01 0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.83 1yre h ALA 123 Cb 0.60 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1yre h ALA 123 CO 0.02 -0.59 -1.17 0.74 0.00 0.00 0.00 179.25 178.25 1yre h PHE 124 N -0.15 0.30 0.23 0.00 0.04 -1.06 -0.88 116.94 115.43 1yre h PHE 124 Ca 0.19 -0.22 -0.32 0.00 2.80 0.00 0.00 57.97 60.42 1yre h PHE 124 Cb 0.45 -0.01 0.03 0.00 2.20 0.00 0.00 35.95 38.62 1yre h PHE 124 CO -0.44 1.46 -1.40 -0.44 -0.60 0.00 0.00 178.31 176.88 1yre h ASP 125 N -0.54 0.77 0.04 2.17 3.32 -1.08 -3.11 116.42 118.00 1yre h ASP 125 Ca -0.26 -0.93 -0.37 0.00 0.02 0.00 0.00 57.03 55.49 1yre h ASP 125 Cb 1.56 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 40.82 1yre h ASP 125 CO 0.00 1.67 -2.09 0.59 -1.72 0.00 0.00 179.24 177.69 1yre n ASN 126 N -3.78 2.00 -0.05 6.45 5.03 -0.46 -4.50 115.26 119.96 1yre n ASN 126 Ca -0.17 0.17 0.13 0.00 0.87 0.00 0.00 54.58 55.58 1yre n ASN 126 Cb 1.06 -0.75 0.34 0.00 -1.02 0.00 0.00 39.78 39.41 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 -3.74 0.55 -3.19 3.41 4.77 0.22 -4.94 117.00 114.07 1yre n LEU 127 Ca -0.40 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.36 1yre n LEU 127 Cb 0.93 -0.25 0.07 0.00 -2.33 0.00 0.00 43.42 41.84 1yre n LEU 127 CO 0.26 0.12 0.19 0.54 -1.33 0.00 0.00 177.39 177.17 1yre n ARG 128 N -1.30 -6.72 -2.40 3.23 1.74 -0.80 -4.88 116.66 105.52 1yre n ARG 128 Ca 0.08 0.76 -0.34 0.00 -0.77 0.00 0.00 57.85 57.57 1yre n ARG 128 Cb 0.33 -5.55 -0.02 0.00 -1.02 0.00 0.00 32.46 26.21 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 -6.08 3.60 0.00 5.56 -1.94 -0.40 -4.49 119.30 115.55 1yre s MET 129 Ca 0.49 1.43 0.22 0.00 -1.71 0.00 0.00 55.69 56.12 1yre s MET 129 Cb -0.21 -2.06 -0.09 0.00 2.01 0.00 0.00 34.83 34.48 1yre s MET 129 CO 0.60 -0.61 1.00 1.33 -0.01 0.00 0.00 175.02 177.34 1yre n VAL 130 N -1.17 0.00 -3.67 -6.03 0.24 -0.84 -4.56 118.33 102.29 1yre n VAL 130 Ca 0.10 -0.03 -0.09 0.00 -2.04 0.00 0.00 64.34 62.28 1yre n VAL 130 Cb 0.52 0.92 -0.09 0.00 -1.47 0.00 0.00 33.84 33.72 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 -2.93 0.55 -0.14 7.34 3.52 -1.26 -1.85 118.95 124.19 1yre s ARG 131 Ca 0.10 1.00 0.02 0.00 -0.13 0.00 0.00 55.73 56.72 1yre s ARG 131 Cb 0.16 0.06 0.01 0.00 -1.56 0.00 0.00 34.95 33.62 1yre s ARG 131 CO 0.81 -0.15 -0.21 0.08 -0.81 0.00 0.00 175.30 175.01 1yre s VAL 132 N 1.49 2.18 0.05 7.11 1.01 0.01 -3.16 120.40 129.09 1yre s VAL 132 Ca -0.10 -0.94 -0.13 0.00 0.00 0.00 0.00 61.98 60.81 1yre s VAL 132 Cb -0.07 -1.87 -0.06 0.00 0.00 0.00 0.00 36.38 34.38 1yre s VAL 132 CO -0.16 0.55 0.43 -1.58 0.00 0.00 0.00 175.10 174.33 1yre s GLN 133 N 0.72 3.88 0.05 2.72 0.74 -0.59 -0.72 119.66 126.46 1yre s GLN 133 Ca -0.09 0.35 0.05 0.00 0.05 0.00 0.00 55.36 55.73 1yre s GLN 133 Cb -0.16 -3.11 -0.03 0.00 1.10 0.00 0.00 33.01 30.82 1yre s GLN 133 CO 0.00 0.62 -0.15 -0.51 -0.55 0.00 0.00 175.29 174.70 1yre s LEU 134 N -1.47 2.21 0.04 3.68 1.02 -0.88 -1.64 118.68 121.65 1yre s LEU 134 Ca 0.29 -0.53 -0.19 0.00 0.02 0.00 0.00 54.13 53.72 1yre s LEU 134 Cb -0.16 -0.63 0.04 0.00 0.02 0.00 0.00 46.19 45.46 1yre s LEU 134 CO 0.16 0.01 0.43 -0.94 0.02 0.00 0.00 176.35 176.03 1yre s SER 135 N -1.38 -0.31 0.19 2.29 1.04 -1.26 -0.15 113.70 114.12 1yre s SER 135 Ca 0.01 0.03 -0.19 0.00 0.48 0.00 0.00 55.95 56.28 1yre s SER 135 Cb -0.09 0.43 0.04 0.00 0.10 0.00 0.00 66.02 66.51 1yre s SER 135 CO 0.02 -0.67 0.56 0.28 0.98 0.00 0.00 173.24 174.41 1yre s THR 136 N -2.44 0.02 0.45 2.02 -1.32 -0.88 -4.92 115.64 108.56 1yre s THR 136 Ca -0.05 -0.58 -0.24 0.00 -1.21 0.00 0.00 61.69 59.61 1yre s THR 136 Cb -0.01 -1.44 -0.09 0.00 -1.51 0.00 0.00 72.50 69.45 1yre s THR 136 CO -0.02 -0.09 1.14 0.00 -2.21 0.00 0.00 174.62 173.44 1yre n ALA 137 N -0.36 0.75 -0.17 11.08 0.00 -1.26 -1.30 120.51 129.25 1yre n ALA 137 Ca -0.12 0.21 0.06 0.00 0.00 0.00 0.00 53.44 53.59 1yre n ALA 137 Cb 0.63 -2.18 0.35 0.00 0.00 0.00 0.00 19.45 18.24 1yre n ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yre h ALA 138 N 1.65 1.68 0.00 0.00 0.00 -1.73 -1.63 119.26 119.24 1yre h ALA 138 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1yre h ALA 138 Cb 1.32 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1yre h ALA 138 CO 0.57 0.23 0.00 0.77 0.00 0.00 0.00 179.25 180.82 1yre h SER 139 N 0.76 0.00 -1.64 0.00 0.02 -1.90 -3.42 113.55 107.38 1yre h SER 139 Ca 0.29 0.00 -0.76 0.00 -0.84 0.00 0.00 61.79 60.48 1yre h SER 139 Cb 0.18 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 62.55 1yre h SER 139 CO -0.09 0.00 1.82 -3.20 -1.14 0.00 0.00 176.83 174.22 1yre n ASN 140 N -2.73 5.29 -0.31 3.07 2.85 -0.61 -4.80 115.26 118.02 1yre n ASN 140 Ca 0.02 -3.15 0.05 0.00 -0.11 0.00 0.00 54.58 51.39 1yre n ASN 140 Cb 0.31 -1.45 0.25 0.00 1.24 0.00 0.00 39.78 40.13 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 7.55 0.89 -0.77 1.20 3.38 -1.83 -1.91 115.31 123.82 1yre h LEU 141 Ca 0.36 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.27 1yre h LEU 141 Cb 0.63 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1yre h LEU 141 CO 1.57 0.55 0.07 -0.09 0.09 0.00 0.00 178.44 180.63 1yre h ARG 142 N 1.00 1.01 -0.15 1.13 2.43 -1.98 -1.23 114.38 116.59 1yre h ARG 142 Ca 0.41 -0.27 -0.16 0.00 -0.81 0.00 0.00 59.98 59.15 1yre h ARG 142 Cb 0.28 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1yre h ARG 142 CO -0.17 0.95 -0.57 0.00 -1.51 0.00 0.00 179.97 178.67 1yre h ALA 143 N 1.13 0.73 -0.60 2.80 0.00 -1.84 -2.06 119.26 119.41 1yre h ALA 143 Ca 0.18 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1yre h ALA 143 Cb 0.45 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1yre h ALA 143 CO 0.02 0.70 0.22 1.96 0.00 0.00 0.00 179.25 182.14 1yre h GLN 144 N 0.36 0.92 -0.28 0.00 4.20 -0.81 -0.49 115.11 119.01 1yre h GLN 144 Ca 0.00 -0.18 0.05 0.00 0.06 0.00 0.00 58.65 58.58 1yre h GLN 144 Cb 1.11 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.70 1yre h GLN 144 CO 0.10 0.80 0.00 0.78 -0.67 0.00 0.00 178.83 179.84 1yre h GLY 145 N 0.85 0.27 1.25 3.46 0.00 -1.01 0.44 103.07 108.34 1yre h GLY 145 Ca 0.20 0.03 -0.09 0.00 0.00 0.00 0.00 47.33 47.46 1yre h GLY 145 CO -0.01 -0.06 -0.07 0.00 0.00 0.00 0.00 176.54 176.40 1yre h ALA 146 N 1.24 0.94 -0.08 3.60 0.00 -0.91 -1.12 119.26 122.92 1yre h ALA 146 Ca 0.13 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1yre h ALA 146 Cb 0.17 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1yre h ALA 146 CO -0.22 0.63 0.04 0.82 0.00 0.00 0.00 179.25 180.51 1yre h ILE 147 N 0.81 1.10 -0.45 0.00 2.04 -0.90 -1.95 117.51 118.16 1yre h ILE 147 Ca 0.14 -0.30 0.08 0.00 1.00 0.00 0.00 64.86 65.79 1yre h ILE 147 Cb 0.58 1.16 -0.07 0.00 -0.74 0.00 0.00 36.82 37.75 1yre h ILE 147 CO 0.04 0.09 0.00 0.44 0.00 0.00 0.00 178.15 178.72 1yre h ASP 148 N 0.01 -0.19 -0.92 1.72 3.32 -0.73 -2.32 116.42 117.32 1yre h ASP 148 Ca 0.03 0.11 0.11 0.00 0.02 0.00 0.00 57.03 57.29 1yre h ASP 148 Cb 0.11 0.19 -0.07 0.00 0.22 0.00 0.00 39.33 39.77 1yre h ASP 148 CO -0.00 -0.06 0.59 0.11 -1.72 0.00 0.00 179.24 178.16 1yre h LYS 149 N 0.11 0.87 0.00 3.56 1.57 -1.14 -2.34 116.57 119.21 1yre h LYS 149 Ca 0.22 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1yre h LYS 149 Cb 0.33 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1yre h LYS 149 CO -0.37 0.58 -0.03 -0.07 -0.57 0.00 0.00 179.45 178.98 1yre h LEU 150 N 0.90 0.00 0.00 2.94 3.38 -0.76 -3.47 115.31 118.30 1yre h LEU 150 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 1yre h LEU 150 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1yre h LEU 150 CO -0.20 0.03 0.00 0.61 0.09 0.00 0.00 178.44 178.97 1yre n GLY 151 N -0.71 0.99 3.76 0.83 0.00 -0.88 -4.88 105.19 104.30 1yre n GLY 151 Ca -0.02 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.13 4.61 0.00 -1.22 -4.92 121.76 121.43 1yre s ALA 152 Ca 0.00 0.66 -0.12 0.00 0.00 0.00 0.00 51.96 52.50 1yre s ALA 152 Cb 0.00 -3.23 -0.05 0.00 0.00 0.00 0.00 23.12 19.84 1yre s ALA 152 CO 0.00 0.13 0.26 -0.65 0.00 0.00 0.00 175.76 175.50 1yre s GLN 153 N -1.34 4.04 0.14 0.00 -1.52 -0.48 -4.65 119.66 115.86 1yre s GLN 153 Ca 0.43 0.06 -0.30 0.00 -1.95 0.00 0.00 55.36 53.60 1yre s GLN 153 Cb -0.26 -3.35 -0.07 0.00 -0.22 0.00 0.00 33.01 29.11 1yre s GLN 153 CO 0.33 0.42 1.21 0.50 -0.25 0.00 0.00 175.29 177.49 1yre s ARG 154 N -0.06 4.47 -0.07 2.91 3.52 -1.26 -1.20 118.95 127.25 1yre s ARG 154 Ca 0.16 1.85 0.07 0.00 -0.13 0.00 0.00 55.73 57.68 1yre s ARG 154 Cb -0.13 -3.28 -0.10 0.00 -1.56 0.00 0.00 34.95 29.89 1yre s ARG 154 CO 0.05 -0.16 0.04 0.39 -0.81 0.00 0.00 175.30 174.81 1yre n GLU 155 N 3.05 2.58 -3.79 5.12 1.02 0.53 -4.94 120.64 124.21 1yre n GLU 155 Ca 0.06 -0.01 0.01 0.00 -0.02 0.00 0.00 57.16 57.20 1yre n GLU 155 Cb 0.45 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 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 -3.87 -0.22 -0.12 0.62 0.00 -1.04 -5.00 107.32 97.69 1yre s GLY 156 Ca -0.04 0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.94 1yre s GLY 156 CO 0.32 2.23 -0.10 0.14 0.00 0.00 0.00 173.10 175.68 1yre s VAL 157 N -2.34 1.24 -0.21 1.40 1.01 -1.26 -1.76 120.40 118.47 1yre s VAL 157 Ca 0.20 -0.43 -0.07 0.00 0.00 0.00 0.00 61.98 61.68 1yre s VAL 157 Cb 0.01 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1yre s VAL 157 CO -0.01 0.40 0.06 -0.76 0.00 0.00 0.00 175.10 174.79 1yre s LEU 158 N 1.54 3.60 0.07 3.92 1.43 0.19 -4.94 118.68 124.49 1yre s LEU 158 Ca 0.03 -0.07 -0.13 0.00 -1.03 0.00 0.00 54.13 52.94 1yre s LEU 158 Cb -0.13 -1.93 -0.06 0.00 0.03 0.00 0.00 46.19 44.10 1yre s LEU 158 CO -0.08 0.08 0.44 -0.13 0.23 0.00 0.00 176.35 176.88 1yre s ARG 159 N 0.94 3.87 -1.41 1.70 0.52 -1.26 -0.76 118.95 122.55 1yre s ARG 159 Ca 0.04 0.33 -0.04 0.00 -0.52 0.00 0.00 55.73 55.54 1yre s ARG 159 Cb -0.14 -3.06 0.03 0.00 0.52 0.00 0.00 34.95 32.30 1yre s ARG 159 CO 0.03 0.59 0.67 0.09 0.02 0.00 0.00 175.30 176.69 1yre n ASN 160 N 1.20 -1.71 -0.00 0.23 4.13 -1.24 -4.87 115.26 112.99 1yre n ASN 160 Ca -0.09 -0.89 0.05 0.00 1.68 0.00 0.00 54.58 55.33 1yre n ASN 160 Cb 0.52 -3.62 -0.06 0.00 -1.54 0.00 0.00 39.78 35.08 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 -4.40 0.00 -3.91 3.10 -0.00 -0.87 -4.98 115.22 104.16 1yre n HIS 161 Ca -0.21 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 57.88 1yre n HIS 161 Cb 0.64 -0.04 -0.05 0.00 -0.12 0.00 0.00 29.99 30.42 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 -2.11 1.48 0.06 1.57 1.70 -0.96 -4.97 118.95 115.73 1yre s ARG 162 Ca 0.03 -1.11 0.09 0.00 -0.47 0.00 0.00 55.73 54.26 1yre s ARG 162 Cb 0.08 0.49 -0.03 0.00 -0.57 0.00 0.00 34.95 34.91 1yre s ARG 162 CO 0.43 -0.62 -0.23 1.03 -1.08 0.00 0.00 175.30 174.83 1yre s ARG 163 N -3.96 1.85 0.62 3.89 0.52 -1.26 -0.10 118.95 120.51 1yre s ARG 163 Ca 0.17 -1.09 0.01 0.00 -0.52 0.00 0.00 55.73 54.30 1yre s ARG 163 Cb -0.01 -2.06 0.12 0.00 0.52 0.00 0.00 34.95 33.52 1yre s ARG 163 CO 0.05 0.51 0.85 1.28 0.02 0.00 0.00 175.30 178.01 1yre n LEU 164 N 1.53 0.00 -0.30 2.53 4.77 0.85 -4.09 117.00 122.29 1yre n LEU 164 Ca -0.17 -1.90 0.07 0.00 -0.03 0.00 0.00 56.01 53.99 1yre n LEU 164 Cb 0.52 -0.54 0.23 0.00 -2.33 0.00 0.00 43.42 41.30 1yre n LEU 164 CO 0.25 -0.89 1.12 0.00 -1.33 0.00 0.00 177.39 176.54 1yre h ALA 165 N -0.47 1.31 -0.28 -1.18 0.00 -0.57 0.11 119.26 118.18 1yre h ALA 165 Ca -0.28 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1yre h ALA 165 Cb 1.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1yre h ALA 165 CO 0.31 -0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.93 1yre n GLY 166 N -1.33 0.54 0.50 0.00 0.00 -1.26 -4.81 105.19 98.83 1yre n GLY 166 Ca 0.17 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 1.11 0.87 3.75 -0.02 0.00 0.38 -5.07 105.19 106.21 1yre n GLY 167 Ca 0.14 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.74 4.68 0.21 1.61 3.52 -1.26 -4.67 118.95 122.30 1yre s ARG 168 Ca 0.00 1.70 -0.30 0.00 -0.13 0.00 0.00 55.73 57.00 1yre s ARG 168 Cb 0.00 -3.24 -0.09 0.00 -1.56 0.00 0.00 34.95 30.07 1yre s ARG 168 CO 0.00 0.24 1.24 -0.51 -0.81 0.00 0.00 175.30 175.46 1yre s LEU 169 N -1.06 4.44 0.10 -0.88 1.43 -1.26 -0.10 118.68 121.35 1yre s LEU 169 Ca 0.45 2.34 -0.02 0.00 -1.03 0.00 0.00 54.13 55.86 1yre s LEU 169 Cb -0.30 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.28 1yre s LEU 169 CO 0.37 -0.42 0.05 -0.62 0.23 0.00 0.00 176.35 175.96 1yre s ASP 170 N 0.07 0.34 0.86 2.29 2.15 0.86 -4.93 116.67 118.31 1yre s ASP 170 Ca 0.53 -1.04 -0.11 0.00 0.43 0.00 0.00 52.55 52.36 1yre s ASP 170 Cb -0.35 0.27 0.15 0.00 -0.30 0.00 0.00 42.92 42.70 1yre s ASP 170 CO 0.39 -0.69 1.20 -1.81 -0.17 0.00 0.00 175.17 174.09 1yre s ASP 171 N -2.97 3.75 -0.06 -0.34 1.01 -1.26 -2.06 116.67 114.73 1yre s ASP 171 Ca 0.15 0.20 0.01 0.00 0.71 0.00 0.00 52.55 53.61 1yre s ASP 171 Cb 0.07 -0.44 0.02 0.00 1.01 0.00 0.00 42.92 43.58 1yre s ASP 171 CO -0.05 -2.31 -0.07 -0.89 0.21 0.00 0.00 175.17 172.07 1yre s THR 172 N -3.61 0.75 0.01 -1.27 2.01 0.06 -1.97 115.64 111.63 1yre s THR 172 Ca 0.69 -0.23 -0.21 0.00 0.31 0.00 0.00 61.69 62.26 1yre s THR 172 Cb -0.06 -0.75 -0.05 0.00 0.01 0.00 0.00 72.50 71.65 1yre s THR 172 CO 0.50 0.28 0.61 -0.36 -0.69 0.00 0.00 174.62 174.96 1yre s PHE 173 N 1.00 3.70 -0.08 4.92 0.08 -0.42 -0.63 117.98 126.54 1yre s PHE 173 Ca -0.09 1.23 0.03 0.00 0.12 0.00 0.00 56.93 58.23 1yre s PHE 173 Cb -0.14 -2.62 0.00 0.00 -0.57 0.00 0.00 43.02 39.69 1yre s PHE 173 CO -0.00 0.36 -0.20 0.08 -0.10 0.00 0.00 175.22 175.37 1yre s VAL 174 N -0.25 1.70 0.26 -0.44 1.01 -0.72 -2.07 120.40 119.89 1yre s VAL 174 Ca 0.32 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.55 1yre s VAL 174 Cb -0.19 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 1yre s VAL 174 CO 0.18 0.48 -0.08 -0.31 0.00 0.00 0.00 175.10 175.37 1yre s TYR 175 N 0.41 1.89 0.16 5.22 2.02 0.79 0.20 117.35 128.05 1yre s TYR 175 Ca -0.16 -0.67 -0.14 0.00 -0.37 0.00 0.00 57.07 55.73 1yre s TYR 175 Cb -0.17 -1.04 0.01 0.00 -0.40 0.00 0.00 41.96 40.37 1yre s TYR 175 CO 0.07 0.29 0.39 -1.54 -1.57 0.00 0.00 175.55 173.19 1yre s SER 176 N -3.41 -0.12 -0.10 2.29 1.04 -0.34 -2.07 113.70 110.98 1yre s SER 176 Ca 0.28 -0.59 0.03 0.00 0.48 0.00 0.00 55.95 56.15 1yre s SER 176 Cb 0.03 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.65 1yre s SER 176 CO 0.11 -0.94 -0.19 -0.63 0.98 0.00 0.00 173.24 172.57 1yre s ILE 177 N -3.89 1.74 0.40 -1.02 1.01 0.10 -1.38 121.20 118.16 1yre s ILE 177 Ca 0.10 -0.81 0.06 0.00 0.00 0.00 0.00 60.65 60.00 1yre s ILE 177 Cb 0.01 -1.54 0.00 0.00 0.01 0.00 0.00 42.46 40.95 1yre s ILE 177 CO -0.04 0.49 0.56 0.42 0.00 0.00 0.00 174.94 176.37 1yre s THR 178 N 0.64 3.55 0.36 2.92 -4.23 -1.26 -0.81 115.64 116.81 1yre s THR 178 Ca -0.13 -0.90 0.04 0.00 -1.18 0.00 0.00 61.69 59.51 1yre s THR 178 Cb -0.16 -3.23 0.25 0.00 1.34 0.00 0.00 72.50 70.69 1yre s THR 178 CO 0.04 -0.11 2.00 -2.24 -0.54 0.00 0.00 174.62 173.77 1yre h ASP 179 N 0.66 0.63 -0.41 3.99 2.03 -1.61 -1.20 116.42 120.52 1yre h ASP 179 Ca -0.43 -0.03 -0.03 0.00 -0.73 0.00 0.00 57.03 55.80 1yre h ASP 179 Cb 1.27 -0.16 -0.02 0.00 -0.83 0.00 0.00 39.33 39.59 1yre h ASP 179 CO 0.51 0.49 0.16 0.45 -1.03 0.00 0.00 179.24 179.81 1yre h HIS 180 N 0.73 0.68 0.00 4.15 3.86 -1.94 -2.86 115.15 119.78 1yre h HIS 180 Ca 0.19 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1yre h HIS 180 Cb -0.02 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.24 1yre h HIS 180 CO 0.00 0.56 0.00 0.93 0.86 0.00 0.00 177.93 180.28 1yre h GLU 181 N 0.67 0.00 -0.32 2.45 5.08 -1.61 -3.39 114.58 117.45 1yre h GLU 181 Ca 0.16 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.58 1yre h GLU 181 Cb 0.18 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.38 1yre h GLU 181 CO -0.01 0.00 -0.04 2.35 -1.00 0.00 0.00 179.01 180.31 1yre h TRP 182 N 0.00 -0.09 -0.78 4.33 -0.00 -1.19 -1.95 115.95 116.28 1yre h TRP 182 Ca 0.00 0.03 0.10 0.00 -0.00 0.00 0.00 58.89 59.02 1yre h TRP 182 Cb 0.76 0.09 -0.07 0.00 -0.00 0.00 0.00 29.16 29.93 1yre h TRP 182 CO 0.00 -0.10 0.42 -1.35 -0.00 0.00 0.00 178.44 177.41 1yre h PRO 183 N 0.05 0.67 -0.42 2.65 0.11 -1.76 0.42 132.00 133.72 1yre h PRO 183 Ca 0.16 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.13 1yre h PRO 183 Cb 0.23 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 1yre h PRO 183 CO -0.30 0.44 -0.11 1.96 -0.21 0.00 0.00 178.00 179.79 1yre h GLN 184 N 0.69 0.81 -0.12 1.05 7.50 -1.77 -1.21 115.11 122.06 1yre h GLN 184 Ca 0.39 -0.31 0.02 0.00 0.50 0.00 0.00 58.65 59.24 1yre h GLN 184 Cb 0.40 -0.05 -0.02 0.00 0.05 0.00 0.00 27.48 27.87 1yre h GLN 184 CO -0.27 0.94 -0.02 0.28 -1.50 0.00 0.00 178.83 178.26 1yre h VAL 185 N 0.64 0.90 -0.34 -0.54 2.07 -0.77 -0.49 116.25 117.72 1yre h VAL 185 Ca 0.11 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.69 1yre h VAL 185 Cb 0.64 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 1yre h VAL 185 CO 0.04 0.00 -0.07 0.50 0.02 0.00 0.00 177.57 178.06 1yre h LYS 186 N 0.01 0.01 -0.51 1.57 3.64 -0.14 -0.58 116.57 120.57 1yre h LYS 186 Ca 0.06 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1yre h LYS 186 Cb 0.08 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1yre h LYS 186 CO -0.11 0.01 0.31 0.00 -2.27 0.00 0.00 179.45 177.39 1yre h ALA 187 N 1.33 0.66 -0.19 5.00 0.00 -0.92 0.98 119.26 126.12 1yre h ALA 187 Ca 0.16 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1yre h ALA 187 Cb 0.25 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1yre h ALA 187 CO -0.34 0.02 -0.01 0.00 0.00 0.00 0.00 179.25 178.93 1yre h ALA 188 N 1.22 0.25 0.31 0.00 0.00 -0.78 -1.90 119.26 118.36 1yre h ALA 188 Ca 0.20 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1yre h ALA 188 Cb 0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1yre h ALA 188 CO -0.09 -0.02 -0.44 -0.07 0.00 0.00 0.00 179.25 178.63 1yre h LEU 189 N 0.08 -1.25 -0.86 0.00 3.38 -0.59 -1.34 115.31 114.73 1yre h LEU 189 Ca 0.05 0.12 0.21 0.00 0.09 0.00 0.00 57.88 58.35 1yre h LEU 189 Cb 0.41 0.44 -0.16 0.00 0.09 0.00 0.00 40.66 41.44 1yre h LEU 189 CO 0.01 -0.56 -0.03 -0.33 0.09 0.00 0.00 178.44 177.62 1yre h GLU 190 N -0.80 0.05 -0.64 1.13 5.08 -0.83 -1.26 114.58 117.31 1yre h GLU 190 Ca -0.02 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 1yre h GLU 190 Cb 0.75 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 1yre h GLU 190 CO -0.14 0.04 0.14 0.00 -1.00 0.00 0.00 179.01 178.04 1yre h ALA 191 N 1.84 1.03 0.00 3.43 0.00 -1.04 -2.85 119.26 121.67 1yre h ALA 191 Ca 0.48 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1yre h ALA 191 Cb 0.88 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1yre h ALA 191 CO -0.80 0.63 -0.14 0.66 0.00 0.00 0.00 179.25 179.59 1yre h SER 192 N 0.97 0.00 1.78 0.00 4.64 -0.08 -2.86 113.55 118.00 1yre h SER 192 Ca 0.20 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.48 1yre h SER 192 Cb 0.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1yre h SER 192 CO 0.00 0.14 -0.22 -0.26 -0.87 0.00 0.00 176.83 175.62 1yre h PHE 193 N 0.00 0.00 0.00 4.77 0.05 -1.21 -3.51 116.94 117.04 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 0.39 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.34 1yre h PHE 193 CO 0.00 0.17 0.00 -2.37 -0.18 0.00 0.00 178.31 175.93