#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yre s ILE 13 N 0.00 0.09 -0.14 4.25 -5.25 -1.26 -5.09 121.20 113.79 1yre s ILE 13 Ca 0.00 -0.70 -0.05 0.00 -0.99 0.00 0.00 60.65 58.91 1yre s ILE 13 Cb 0.00 -1.03 -0.04 0.00 2.95 0.00 0.00 42.46 44.34 1yre s ILE 13 CO 0.00 -0.39 0.03 0.28 -1.79 0.00 0.00 174.94 173.08 1yre s THR 14 N -2.93 4.57 -0.04 8.37 -1.32 -1.26 -4.00 115.64 119.02 1yre s THR 14 Ca -0.02 -0.13 0.06 0.00 -1.21 0.00 0.00 61.69 60.39 1yre s THR 14 Cb 0.00 -3.00 -0.02 0.00 -1.51 0.00 0.00 72.50 67.98 1yre s THR 14 CO -0.06 0.53 -0.22 -0.76 -2.21 0.00 0.00 174.62 171.91 1yre s LEU 15 N -0.20 2.27 -0.01 9.08 1.43 0.11 -4.98 118.68 126.38 1yre s LEU 15 Ca 0.07 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 1yre s LEU 15 Cb -0.12 -1.42 0.01 0.00 0.03 0.00 0.00 46.19 44.69 1yre s LEU 15 CO 0.02 0.30 0.23 -1.58 0.23 0.00 0.00 176.35 175.55 1yre s GLN 16 N -0.48 0.58 -0.34 1.70 0.74 -1.26 0.49 119.66 121.09 1yre s GLN 16 Ca 0.06 -0.29 0.06 0.00 0.05 0.00 0.00 55.36 55.24 1yre s GLN 16 Cb -0.11 0.25 0.18 0.00 1.10 0.00 0.00 33.01 34.43 1yre s GLN 16 CO 0.01 -0.15 0.57 0.50 -0.55 0.00 0.00 175.29 175.66 1yre s ARG 17 N -1.35 0.64 6.78 1.67 3.00 -0.33 -5.03 118.95 124.34 1yre s ARG 17 Ca -0.14 0.09 0.00 0.00 -1.00 0.00 0.00 55.73 54.68 1yre s ARG 17 Cb -0.06 0.05 0.00 0.00 0.00 0.00 0.00 34.95 34.94 1yre s ARG 17 CO 0.03 -1.11 0.00 0.41 0.00 0.00 0.00 175.30 174.63 1yre n GLY 18 N 4.95 2.09 0.00 8.12 0.00 -1.26 -1.92 105.19 117.18 1yre n GLY 18 Ca 0.07 -0.41 0.11 0.00 0.00 0.00 0.00 46.02 45.79 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 10.69 2.04 -2.65 4.61 0.00 -1.26 -4.71 120.51 129.23 1yre n ALA 19 Ca 0.00 -0.08 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 1yre n ALA 19 Cb 0.00 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.05 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 -2.96 4.08 -0.07 0.00 2.96 -0.81 -1.28 118.68 120.61 1yre s LEU 20 Ca 0.12 1.12 0.04 0.00 -0.22 0.00 0.00 54.13 55.18 1yre s LEU 20 Cb 0.15 -3.28 0.00 0.00 0.50 0.00 0.00 46.19 43.56 1yre s LEU 20 CO 0.41 -0.56 -0.18 -0.13 -1.32 0.00 0.00 176.35 174.57 1yre s ARG 21 N 2.94 2.19 -0.37 1.98 0.52 0.07 -1.19 118.95 125.08 1yre s ARG 21 Ca 0.37 -0.64 -0.07 0.00 -0.52 0.00 0.00 55.73 54.87 1yre s ARG 21 Cb -0.15 -1.76 0.05 0.00 0.52 0.00 0.00 34.95 33.61 1yre s ARG 21 CO 0.07 0.15 0.16 -0.51 0.02 0.00 0.00 175.30 175.19 1yre s LEU 22 N 0.35 4.62 0.10 2.53 1.43 0.18 -0.85 118.68 127.04 1yre s LEU 22 Ca -0.12 -1.29 0.10 0.00 -1.03 0.00 0.00 54.13 51.79 1yre s LEU 22 Cb -0.15 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 1yre s LEU 22 CO 0.05 -0.40 -0.27 -1.61 0.23 0.00 0.00 176.35 174.36 1yre s GLU 23 N 1.40 1.53 0.13 1.70 2.02 -0.70 -0.71 118.70 124.07 1yre s GLU 23 Ca 0.00 -1.28 -0.35 0.00 0.02 0.00 0.00 54.97 53.37 1yre s GLU 23 Cb -0.21 -1.93 -0.16 0.00 0.10 0.00 0.00 34.13 31.93 1yre s GLU 23 CO 0.02 0.47 1.26 -2.30 0.02 0.00 0.00 175.26 174.74 1yre n PRO 24 N 1.16 1.19 -2.09 0.39 -0.02 -1.26 0.11 135.00 134.49 1yre n PRO 24 Ca -0.18 0.43 -0.38 0.00 -2.02 0.00 0.00 63.50 61.35 1yre n PRO 24 Cb 0.53 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 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 0.57 4.10 0.13 2.45 2.96 -0.35 -4.49 118.68 124.04 1yre s LEU 25 Ca 0.79 2.55 0.04 0.00 -0.22 0.00 0.00 54.13 57.29 1yre s LEU 25 Cb -0.89 -4.07 -0.04 0.00 0.50 0.00 0.00 46.19 41.69 1yre s LEU 25 CO 0.49 -0.97 -0.10 0.68 -1.32 0.00 0.00 176.35 175.13 1yre s VAL 26 N -1.36 1.07 0.29 1.68 -7.23 -1.26 -4.96 120.40 108.63 1yre s VAL 26 Ca 0.61 -1.97 0.04 0.00 -1.81 0.00 0.00 61.98 58.85 1yre s VAL 26 Cb -0.35 -1.74 0.28 0.00 0.56 0.00 0.00 36.38 35.13 1yre s VAL 26 CO 0.44 -0.73 1.75 -0.33 -0.31 0.00 0.00 175.10 175.92 1yre h GLU 27 N 2.95 0.62 -0.27 4.82 3.07 -1.98 -1.42 114.58 122.36 1yre h GLU 27 Ca -0.37 -0.04 0.08 0.00 -0.50 0.00 0.00 59.36 58.54 1yre h GLU 27 Cb 1.19 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.95 1yre h GLU 27 CO 0.62 0.41 0.40 0.00 -1.40 0.00 0.00 179.01 179.04 1yre h ALA 28 N 1.65 1.86 0.00 3.43 0.00 -2.02 -2.43 119.26 121.75 1yre h ALA 28 Ca 0.55 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.42 1yre h ALA 28 Cb 0.91 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1yre h ALA 28 CO -0.42 -0.54 -0.26 -0.44 0.00 0.00 0.00 179.25 177.59 1yre h ASP 29 N 0.00 0.00 -0.24 0.00 3.32 -1.67 -3.39 116.42 114.44 1yre h ASP 29 Ca 0.13 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1yre h ASP 29 Cb 0.93 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 1yre h ASP 29 CO -0.00 0.14 0.06 0.40 -1.72 0.00 0.00 179.24 178.12 1yre h ILE 30 N 0.00 1.21 -0.26 0.35 2.04 -1.56 -2.25 117.51 117.04 1yre h ILE 30 Ca -0.01 -0.68 0.05 0.00 1.00 0.00 0.00 64.86 65.22 1yre h ILE 30 Cb 1.11 1.21 -0.05 0.00 -0.74 0.00 0.00 36.82 38.35 1yre h ILE 30 CO 0.02 0.22 -0.07 -0.65 0.00 0.00 0.00 178.15 177.66 1yre h PRO 31 N 0.21 -0.01 -0.98 2.37 0.11 -1.78 -0.96 132.00 130.95 1yre h PRO 31 Ca 0.07 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.19 1yre h PRO 31 Cb 0.28 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.34 1yre h PRO 31 CO 0.00 -0.01 0.64 1.49 -0.21 0.00 0.00 178.00 179.91 1yre h GLU 32 N -0.01 1.30 -0.47 1.05 4.81 -1.83 -0.77 114.58 118.65 1yre h GLU 32 Ca 0.13 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1yre h GLU 32 Cb 0.21 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1yre h GLU 32 CO -0.28 0.87 0.25 -0.07 -0.73 0.00 0.00 179.01 179.06 1yre h LEU 33 N 1.33 0.59 -0.51 1.64 3.38 -0.96 0.45 115.31 121.24 1yre h LEU 33 Ca 0.36 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 1yre h LEU 33 Cb -0.14 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1yre h LEU 33 CO -0.08 0.52 0.26 0.58 0.09 0.00 0.00 178.44 179.81 1yre h VAL 34 N 0.62 1.19 -0.47 1.22 2.07 -0.95 0.35 116.25 120.27 1yre h VAL 34 Ca 0.17 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1yre h VAL 34 Cb 0.06 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1yre h VAL 34 CO -0.03 0.20 0.25 -1.28 0.02 0.00 0.00 177.57 176.74 1yre h SER 35 N 0.68 0.59 -0.50 0.57 0.87 -0.82 -2.14 113.55 112.80 1yre h SER 35 Ca 0.18 -0.10 -0.08 0.00 -1.23 0.00 0.00 61.79 60.56 1yre h SER 35 Cb 0.09 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 1yre h SER 35 CO -0.02 0.52 0.01 0.25 -0.53 0.00 0.00 176.83 177.06 1yre h LEU 36 N 0.62 0.85 -0.94 2.23 5.85 0.17 -2.83 115.31 121.25 1yre h LEU 36 Ca 0.16 -0.30 0.13 0.00 0.84 0.00 0.00 57.88 58.71 1yre h LEU 36 Cb 0.07 -0.23 -0.09 0.00 0.37 0.00 0.00 40.66 40.78 1yre h LEU 36 CO -0.02 0.94 0.57 0.00 -0.34 0.00 0.00 178.44 179.59 1yre h ALA 37 N 0.94 1.43 -0.71 1.25 0.00 -0.25 -2.57 119.26 119.35 1yre h ALA 37 Ca 0.14 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1yre h ALA 37 Cb 0.50 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1yre h ALA 37 CO 0.02 0.11 0.47 1.05 0.00 0.00 0.00 179.25 180.90 1yre h GLU 38 N 0.87 0.88 0.00 0.00 -0.00 -1.13 0.29 114.58 115.48 1yre h GLU 38 Ca 0.48 -0.05 0.00 0.00 -0.00 0.00 0.00 59.36 59.79 1yre h GLU 38 Cb 0.55 -0.20 0.00 0.00 -0.00 0.00 0.00 28.75 29.10 1yre h GLU 38 CO -0.29 0.58 0.00 0.00 -0.00 0.00 0.00 179.01 179.30 1yre n ALA 39 N -2.43 2.11 -0.56 1.06 0.00 -0.99 -2.73 120.51 116.97 1yre n ALA 39 Ca 0.08 -0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.57 1yre n ALA 39 Cb 0.08 -1.44 0.14 0.00 0.00 0.00 0.00 19.45 18.23 1yre n ALA 39 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1yre n ASN 40 N -2.12 2.81 -0.33 0.00 4.13 -0.33 -4.83 115.26 114.59 1yre n ASN 40 Ca 0.05 -2.52 0.13 0.00 1.68 0.00 0.00 54.58 53.92 1yre n ASN 40 Cb 0.36 -0.30 0.32 0.00 -1.54 0.00 0.00 39.78 38.62 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 0.98 0.58 -0.23 3.52 2.43 -0.80 -0.98 114.38 119.88 1yre h ARG 41 Ca 0.00 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 58.95 1yre h ARG 41 Cb 0.92 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1yre h ARG 41 CO 0.06 0.39 -0.60 0.93 -1.51 0.00 0.00 179.97 179.24 1yre h GLU 42 N 0.60 0.76 -0.01 0.20 5.08 -1.86 -2.55 114.58 116.80 1yre h GLU 42 Ca 0.58 -0.51 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1yre h GLU 42 Cb 1.00 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 1yre h GLU 42 CO -0.44 1.14 0.03 0.00 -1.00 0.00 0.00 179.01 178.73 1yre h ALA 43 N 0.75 1.24 -0.31 3.43 0.00 -1.58 -2.46 119.26 120.33 1yre h ALA 43 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1yre h ALA 43 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1yre h ALA 43 CO 0.12 -0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.62 1yre n LEU 44 N -3.36 3.13 0.33 0.00 4.77 -0.95 -4.52 117.00 116.40 1yre n LEU 44 Ca -0.03 -1.31 0.16 0.00 -0.03 0.00 0.00 56.01 54.81 1yre n LEU 44 Cb 0.10 -0.20 0.87 0.00 -2.33 0.00 0.00 43.42 41.87 1yre n LEU 44 CO 0.23 0.65 1.13 0.06 -1.33 0.00 0.00 177.39 178.13 1yre h GLN 45 N 4.16 0.00 -0.41 3.23 3.07 -1.36 -1.52 115.11 122.28 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 0.91 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.47 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 -2.90 0.54 -5.12 0.06 4.01 -1.26 -1.64 117.16 110.85 1yre n TYR 46 Ca -0.02 -0.27 -0.31 0.00 -0.16 0.00 0.00 57.90 57.14 1yre n TYR 46 Cb 0.33 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.21 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 -1.46 1.99 -0.33 -0.72 -1.94 -0.57 -4.67 119.30 111.60 1yre s MET 47 Ca 0.36 -1.00 -0.07 0.00 -1.71 0.00 0.00 55.69 53.27 1yre s MET 47 Cb 0.20 -2.03 0.03 0.00 2.01 0.00 0.00 34.83 35.04 1yre s MET 47 CO 0.27 0.54 0.11 0.34 -0.01 0.00 0.00 175.02 176.27 1yre s ASP 48 N -0.90 5.30 0.00 3.03 2.15 -1.25 -2.65 116.67 122.35 1yre s ASP 48 Ca 0.11 -0.99 0.00 0.00 0.43 0.00 0.00 52.55 52.10 1yre s ASP 48 Cb -0.10 -1.89 0.00 0.00 -0.30 0.00 0.00 42.92 40.63 1yre s ASP 48 CO 0.00 -0.29 0.00 0.61 -0.17 0.00 0.00 175.17 175.32 1yre n GLY 49 N 4.85 2.03 0.10 2.66 0.00 -1.26 -5.00 105.19 108.57 1yre n GLY 49 Ca -0.13 -0.64 0.07 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 0.09 -0.15 1.61 -0.04 -1.26 -1.16 135.00 134.09 1yre n PRO 50 Ca 0.00 0.59 0.03 0.00 -0.04 0.00 0.00 63.50 64.07 1yre n PRO 50 Cb 0.00 -1.79 0.10 0.00 -0.04 0.00 0.00 33.50 31.77 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 -1.98 0.42 -4.01 0.52 -2.24 -1.26 -4.67 114.28 101.06 1yre n THR 51 Ca -0.01 -0.30 -0.15 0.00 -2.27 0.00 0.00 64.05 61.32 1yre n THR 51 Cb 0.02 -0.04 -0.15 0.00 -2.10 0.00 0.00 70.33 68.06 1yre n THR 51 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1yre s ARG 52 N -1.65 0.27 0.44 -0.78 6.06 -0.31 -4.92 118.95 118.06 1yre s ARG 52 Ca 0.14 -0.06 0.12 0.00 -2.50 0.00 0.00 55.73 53.42 1yre s ARG 52 Cb 0.08 -0.32 1.01 0.00 0.06 0.00 0.00 34.95 35.78 1yre s ARG 52 CO 0.08 0.01 2.04 -1.35 -2.50 0.00 0.00 175.30 173.58 1yre h PRO 53 N 6.40 0.38 -0.23 5.12 0.11 -1.90 -3.04 132.00 138.84 1yre h PRO 53 Ca -0.31 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.71 1yre h PRO 53 Cb 1.18 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1yre h PRO 53 CO 0.50 0.25 -0.15 0.38 -0.21 0.00 0.00 178.00 178.77 1yre h ASP 54 N 0.39 0.38 -0.90 -2.05 2.03 -1.97 0.28 116.42 114.59 1yre h ASP 54 Ca 0.17 -0.10 0.05 0.00 -0.73 0.00 0.00 57.03 56.43 1yre h ASP 54 Cb 0.20 -0.10 -0.06 0.00 -0.83 0.00 0.00 39.33 38.54 1yre h ASP 54 CO -0.04 0.56 0.59 -0.25 -1.03 0.00 0.00 179.24 179.06 1yre h TRP 55 N 0.37 1.06 0.10 4.15 7.01 -1.75 0.62 115.95 127.50 1yre h TRP 55 Ca 0.07 0.03 -0.29 0.00 2.11 0.00 0.00 58.89 60.80 1yre h TRP 55 Cb 0.48 -0.35 0.03 0.00 -2.10 0.00 0.00 29.16 27.21 1yre h TRP 55 CO 0.01 0.58 -1.20 1.88 -2.79 0.00 0.00 178.44 176.92 1yre h TYR 56 N 1.07 0.99 -0.62 2.65 0.05 -1.15 -2.96 116.97 116.99 1yre h TYR 56 Ca 0.38 -0.61 -0.07 0.00 0.05 0.00 0.00 58.73 58.48 1yre h TYR 56 Cb 0.12 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 37.75 1yre h TYR 56 CO -0.00 1.45 0.11 0.00 -1.05 0.00 0.00 178.16 178.66 1yre h ARG 57 N 0.29 1.00 -0.69 4.88 3.08 -0.20 -2.15 114.38 120.59 1yre h ARG 57 Ca -0.17 -0.25 0.12 0.00 0.07 0.00 0.00 59.98 59.75 1yre h ARG 57 Cb 1.87 -0.13 -0.09 0.00 0.08 0.00 0.00 29.97 31.71 1yre h ARG 57 CO 0.23 0.91 0.25 0.37 -1.07 0.00 0.00 179.97 180.66 1yre h GLN 58 N 0.94 0.39 -0.29 0.04 5.75 0.21 -0.43 115.11 121.72 1yre h GLN 58 Ca 0.19 -0.02 -0.12 0.00 -0.15 0.00 0.00 58.65 58.55 1yre h GLN 58 Cb 0.40 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 1yre h GLN 58 CO 0.01 0.26 -0.32 0.66 -2.65 0.00 0.00 178.83 176.79 1yre h SER 59 N 0.40 0.65 -0.32 -0.69 4.64 -1.23 -1.69 113.55 115.31 1yre h SER 59 Ca 0.37 -0.26 -0.12 0.00 -0.47 0.00 0.00 61.79 61.31 1yre h SER 59 Cb 0.52 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1yre h SER 59 CO -0.38 0.92 -0.27 -0.07 -0.87 0.00 0.00 176.83 176.17 1yre h LEU 60 N 0.53 0.80 -0.47 5.97 3.38 -0.96 -0.55 115.31 124.01 1yre h LEU 60 Ca 0.06 -0.45 0.09 0.00 0.09 0.00 0.00 57.88 57.67 1yre h LEU 60 Cb 0.81 -0.22 -0.10 0.00 0.09 0.00 0.00 40.66 41.24 1yre h LEU 60 CO 0.07 1.08 -0.30 0.00 0.09 0.00 0.00 178.44 179.38 1yre h ALA 61 N 0.74 -0.06 -0.67 1.53 0.00 -1.01 -0.84 119.26 118.94 1yre h ALA 61 Ca 0.06 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1yre h ALA 61 Cb 0.84 0.68 -0.03 0.00 0.00 0.00 0.00 17.79 19.28 1yre h ALA 61 CO 0.07 -0.67 0.37 0.93 0.00 0.00 0.00 179.25 179.95 1yre h GLU 62 N -0.19 0.93 -0.81 0.00 5.08 -1.16 -2.62 114.58 115.80 1yre h GLU 62 Ca 0.20 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1yre h GLU 62 Cb 0.52 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 1yre h GLU 62 CO -0.58 0.68 0.52 0.37 -1.00 0.00 0.00 179.01 178.99 1yre h GLN 63 N 0.94 0.97 0.00 2.33 4.15 -0.58 -0.16 115.11 122.76 1yre h GLN 63 Ca 0.24 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 1yre h GLN 63 Cb 0.02 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 27.49 1yre h GLN 63 CO -0.04 0.64 -0.03 0.00 -1.93 0.00 0.00 178.83 177.48 1yre h ARG 64 N 1.00 0.00 -0.18 1.69 3.08 -0.80 -2.70 114.38 116.47 1yre h ARG 64 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1yre h ARG 64 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1yre h ARG 64 CO -0.12 0.03 0.00 -1.91 -1.07 0.00 0.00 179.97 176.90 1yre n GLU 65 N -3.20 2.17 -1.16 0.04 4.07 -0.69 -4.95 120.64 116.92 1yre n GLU 65 Ca -0.01 -1.74 -0.06 0.00 -0.06 0.00 0.00 57.16 55.29 1yre n GLU 65 Cb 0.21 -1.47 -0.02 0.00 -0.06 0.00 0.00 31.44 30.10 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 0.74 0.21 8.31 0.00 -1.02 -4.94 105.19 109.83 1yre n GLY 66 Ca 0.17 -0.28 0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.86 1.72 -3.67 1.61 1.74 -0.16 -4.97 116.66 111.07 1yre n ARG 67 Ca -0.06 -0.47 -0.13 0.00 -0.77 0.00 0.00 57.85 56.43 1yre n ARG 67 Cb 0.30 -1.27 -0.07 0.00 -1.02 0.00 0.00 32.46 30.41 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 -2.17 -1.00 -0.50 7.54 0.00 -1.21 -3.30 121.76 121.12 1yre s ALA 68 Ca 0.10 0.35 0.03 0.00 0.00 0.00 0.00 51.96 52.45 1yre s ALA 68 Cb 0.13 0.29 0.14 0.00 0.00 0.00 0.00 23.12 23.67 1yre s ALA 68 CO 0.52 -0.42 0.28 -0.51 0.00 0.00 0.00 175.76 175.63 1yre s LEU 69 N -1.86 3.43 0.41 0.00 1.43 0.21 -3.99 118.68 118.31 1yre s LEU 69 Ca -0.07 -2.93 -0.18 0.00 -1.03 0.00 0.00 54.13 49.92 1yre s LEU 69 Cb -0.01 -1.28 -0.10 0.00 0.03 0.00 0.00 46.19 44.83 1yre s LEU 69 CO -0.01 -0.23 0.88 -2.16 0.23 0.00 0.00 176.35 175.07 1yre s PRO 70 N -0.10 4.10 0.02 1.29 0.04 -1.26 -1.72 135.00 137.37 1yre s PRO 70 Ca 0.19 0.93 0.04 0.00 0.04 0.00 0.00 61.00 62.20 1yre s PRO 70 Cb -0.21 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 32.05 1yre s PRO 70 CO -0.03 -0.01 -0.13 -0.51 0.04 0.00 0.00 177.00 176.36 1yre s LEU 71 N -3.30 2.11 -0.12 -3.56 1.43 0.49 -1.21 118.68 114.52 1yre s LEU 71 Ca 0.59 -0.36 -0.15 0.00 -1.03 0.00 0.00 54.13 53.17 1yre s LEU 71 Cb -0.10 -0.60 -0.05 0.00 0.03 0.00 0.00 46.19 45.48 1yre s LEU 71 CO 0.18 0.07 0.36 0.00 0.23 0.00 0.00 176.35 177.19 1yre s ALA 72 N -0.64 3.59 -0.28 4.21 0.00 0.29 -2.68 121.76 126.25 1yre s ALA 72 Ca 0.02 -0.35 -0.11 0.00 0.00 0.00 0.00 51.96 51.53 1yre s ALA 72 Cb -0.07 -2.44 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 1yre s ALA 72 CO 0.01 0.16 0.18 0.08 0.00 0.00 0.00 175.76 176.18 1yre s VAL 73 N 0.17 5.19 -0.03 0.00 1.01 -0.24 -1.72 120.40 124.78 1yre s VAL 73 Ca 0.20 0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.34 1yre s VAL 73 Cb -0.14 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 1yre s VAL 73 CO 0.07 0.23 -0.24 -0.13 0.00 0.00 0.00 175.10 175.04 1yre s ARG 74 N 1.74 2.09 -0.29 2.72 0.52 -0.03 -0.66 118.95 125.04 1yre s ARG 74 Ca 0.07 -0.86 0.02 0.00 -0.52 0.00 0.00 55.73 54.44 1yre s ARG 74 Cb -0.16 -1.94 0.08 0.00 0.52 0.00 0.00 34.95 33.46 1yre s ARG 74 CO 0.10 0.47 0.01 -1.17 0.02 0.00 0.00 175.30 174.74 1yre s LEU 75 N -0.44 3.32 0.00 2.53 2.96 -0.23 -0.75 118.68 126.07 1yre s LEU 75 Ca 0.06 -1.64 0.00 0.00 -0.22 0.00 0.00 54.13 52.32 1yre s LEU 75 Cb -0.10 -1.29 0.00 0.00 0.50 0.00 0.00 46.19 45.30 1yre s LEU 75 CO 0.00 -0.32 0.00 0.61 -1.32 0.00 0.00 176.35 175.32 1yre n GLY 76 N 4.55 3.50 0.07 7.98 0.00 -0.40 -2.54 105.19 118.35 1yre n GLY 76 Ca -0.04 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.01 1yre n GLY 76 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1yre h VAL 77 N 0.00 0.00 -3.41 1.61 3.04 -1.93 -3.48 116.25 112.07 1yre h VAL 77 Ca 0.00 -0.62 -0.61 0.00 -1.01 0.00 0.00 66.70 64.46 1yre h VAL 77 Cb 0.00 1.13 -0.13 0.00 -2.01 0.00 0.00 31.29 30.27 1yre h VAL 77 CO 0.00 0.00 -0.50 -1.58 -1.01 0.00 0.00 177.57 174.48 1yre s GLN 78 N -3.23 4.13 -0.11 4.17 2.00 -1.05 -5.05 119.66 120.52 1yre s GLN 78 Ca 0.04 -0.24 -0.30 0.00 -2.00 0.00 0.00 55.36 52.86 1yre s GLN 78 Cb 0.13 -3.47 -0.02 0.00 0.80 0.00 0.00 33.01 30.44 1yre s GLN 78 CO 0.76 0.19 1.17 -1.17 -0.50 0.00 0.00 175.29 175.74 1yre s LEU 79 N 0.68 4.23 0.00 3.68 2.96 -1.26 -1.06 118.68 127.91 1yre s LEU 79 Ca 0.08 1.71 0.00 0.00 -0.22 0.00 0.00 54.13 55.69 1yre s LEU 79 Cb -0.12 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.02 1yre s LEU 79 CO 0.01 -0.62 0.26 0.52 -1.32 0.00 0.00 176.35 175.20 1yre n VAL 80 N 4.86 0.00 -1.85 1.68 0.31 0.16 -4.97 118.33 118.53 1yre n VAL 80 Ca 0.11 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1yre n VAL 80 Cb 0.46 1.03 0.00 0.00 -0.91 0.00 0.00 33.84 34.42 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 0.44 0.00 3.34 2.92 0.00 -1.17 -0.98 105.19 109.74 1yre n GLY 81 Ca 0.00 -1.29 -0.12 0.00 0.00 0.00 0.00 46.02 44.61 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 -3.29 0.05 0.17 2.61 -1.32 -0.55 -1.08 115.64 112.23 1yre s THR 82 Ca 0.00 -0.44 -0.24 0.00 -1.21 0.00 0.00 61.69 59.80 1yre s THR 82 Cb 0.00 -1.07 0.06 0.00 -1.51 0.00 0.00 72.50 69.97 1yre s THR 82 CO 0.00 -0.24 0.75 0.28 -2.21 0.00 0.00 174.62 173.19 1yre s THR 83 N -3.31 0.00 0.13 5.08 -1.32 -1.09 -1.65 115.64 113.48 1yre s THR 83 Ca -0.00 -0.44 -0.19 0.00 -1.21 0.00 0.00 61.69 59.84 1yre s THR 83 Cb 0.01 -1.50 0.05 0.00 -1.51 0.00 0.00 72.50 69.55 1yre s THR 83 CO -0.08 0.00 0.49 0.00 -2.21 0.00 0.00 174.62 172.81 1yre s ARG 84 N -3.62 1.14 -0.21 7.08 1.70 -0.59 -0.38 118.95 124.07 1yre s ARG 84 Ca 0.07 -0.56 -0.12 0.00 -0.47 0.00 0.00 55.73 54.65 1yre s ARG 84 Cb -0.03 0.51 -0.05 0.00 -0.57 0.00 0.00 34.95 34.82 1yre s ARG 84 CO -0.03 -0.46 0.24 -0.06 -1.08 0.00 0.00 175.30 173.91 1yre s PHE 85 N -3.60 3.38 0.13 5.89 0.40 -0.70 -1.85 117.98 121.63 1yre s PHE 85 Ca 0.01 0.42 0.02 0.00 -0.60 0.00 0.00 56.93 56.78 1yre s PHE 85 Cb 0.00 -2.33 -0.01 0.00 0.51 0.00 0.00 43.02 41.20 1yre s PHE 85 CO -0.11 0.13 0.12 0.00 0.70 0.00 0.00 175.22 176.06 1yre n ALA 86 N 4.03 0.21 -3.83 5.36 0.00 -0.08 0.68 120.51 126.89 1yre n ALA 86 Ca -0.13 -0.73 -0.26 0.00 0.00 0.00 0.00 53.44 52.32 1yre n ALA 86 Cb 0.52 0.59 0.01 0.00 0.00 0.00 0.00 19.45 20.57 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 -0.24 -3.06 -1.92 0.00 -0.58 -1.21 -0.50 120.64 113.13 1yre n GLU 87 Ca 0.03 0.46 -0.42 0.00 -0.42 0.00 0.00 57.16 56.81 1yre n GLU 87 Cb 0.23 -4.55 -0.03 0.00 -0.57 0.00 0.00 31.44 26.53 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 -3.77 2.84 -0.76 -0.32 2.99 -1.26 -4.01 117.98 113.69 1yre s PHE 88 Ca 0.13 0.50 -0.03 0.00 0.00 0.00 0.00 56.93 57.53 1yre s PHE 88 Cb -0.05 -3.95 0.19 0.00 0.00 0.00 0.00 43.02 39.21 1yre s PHE 88 CO 0.87 -3.63 0.62 -0.51 -0.00 0.00 0.00 175.22 172.56 1yre s LEU 89 N 1.64 5.51 0.61 -0.37 1.43 0.17 -4.97 118.68 122.69 1yre s LEU 89 Ca 0.72 -3.21 0.32 0.00 -1.03 0.00 0.00 54.13 50.92 1yre s LEU 89 Cb -0.43 -1.91 1.90 0.00 0.03 0.00 0.00 46.19 45.78 1yre s LEU 89 CO 0.32 -0.31 2.24 -0.65 0.23 0.00 0.00 176.35 178.18 1yre h PRO 90 N 6.66 0.00 0.00 1.29 0.11 -1.94 -1.21 132.00 136.91 1yre h PRO 90 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1yre h PRO 90 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1yre h PRO 90 CO 0.78 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.57 1yre n ALA 91 N -2.27 1.79 -0.07 -0.75 0.00 -1.26 -4.20 120.51 113.75 1yre n ALA 91 Ca -0.02 0.01 -0.05 0.00 0.00 0.00 0.00 53.44 53.38 1yre n ALA 91 Cb 0.13 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 18.20 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 0.00-10.26 0.00 3.38 -1.68 -3.49 115.31 103.26 1yre h LEU 92 Ca 0.00 -0.03 -0.49 0.00 0.09 0.00 0.00 57.88 57.45 1yre h LEU 92 Cb 0.38 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.16 1yre h LEU 92 CO 0.00 0.75 0.04 -2.16 0.09 0.00 0.00 178.44 177.17 1yre s PRO 93 N -2.15 3.56 0.11 1.13 0.04 -1.26 -4.70 135.00 131.73 1yre s PRO 93 Ca -0.13 0.13 -0.17 0.00 0.04 0.00 0.00 61.00 60.86 1yre s PRO 93 Cb 0.02 -2.44 0.04 0.00 0.04 0.00 0.00 34.50 32.16 1yre s PRO 93 CO 0.21 -0.10 0.43 0.00 0.04 0.00 0.00 177.00 177.57 1yre s ALA 94 N -2.59 -1.03 0.35 8.56 0.00 -0.90 -0.30 121.76 125.85 1yre s ALA 94 Ca 0.46 0.11 -0.07 0.00 0.00 0.00 0.00 51.96 52.46 1yre s ALA 94 Cb -0.10 0.63 0.03 0.00 0.00 0.00 0.00 23.12 23.67 1yre s ALA 94 CO 0.41 -0.61 0.59 0.00 0.00 0.00 0.00 175.76 176.15 1yre s GLU 96 N -2.46 1.97 -0.12 0.00 2.12 0.34 -1.35 118.70 119.20 1yre s GLU 96 Ca 0.22 -0.96 -0.01 0.00 0.36 0.00 0.00 54.97 54.57 1yre s GLU 96 Cb -0.03 -1.98 -0.02 0.00 0.26 0.00 0.00 34.13 32.37 1yre s GLU 96 CO 0.16 0.53 -0.08 0.42 -0.54 0.00 0.00 175.26 175.75 1yre s ILE 97 N -0.66 3.52 -2.15 -3.70 1.01 -0.65 -0.90 121.20 117.66 1yre s ILE 97 Ca 0.10 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1yre s ILE 97 Cb -0.10 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.88 1yre s ILE 97 CO -0.00 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.08 1yre n GLY 98 N 3.15 -0.68 4.08 6.18 0.00 -0.77 -4.46 105.19 112.69 1yre n GLY 98 Ca -0.18 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 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 3.88 -1.50 -4.12 1.61 8.01 -1.26 -1.55 117.44 122.50 1yre n TRP 99 Ca 0.00 0.65 -0.34 0.00 -1.31 0.00 0.00 57.50 56.49 1yre n TRP 99 Cb 0.00 -3.33 -0.11 0.00 -2.01 0.00 0.00 31.31 25.86 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 -4.08 4.41 0.01 -0.99 2.01 -1.26 -3.88 115.64 111.87 1yre s THR 100 Ca 0.05 -0.17 -0.08 0.00 0.31 0.00 0.00 61.69 61.80 1yre s THR 100 Cb -0.02 -2.98 0.00 0.00 0.01 0.00 0.00 72.50 69.51 1yre s THR 100 CO 0.93 0.46 0.16 -1.66 -0.69 0.00 0.00 174.62 173.83 1yre s TRP 101 N 0.50 0.04 0.01 4.92 1.48 -0.66 -5.00 118.94 120.23 1yre s TRP 101 Ca 0.01 -0.17 0.01 0.00 -1.06 0.00 0.00 56.10 54.89 1yre s TRP 101 Cb -0.13 -0.04 -0.01 0.00 -1.16 0.00 0.00 33.47 32.13 1yre s TRP 101 CO 0.02 -0.34 -0.05 -0.51 -4.06 0.00 0.00 176.95 172.00 1yre s LEU 102 N -1.64 2.06 0.38 -4.66 1.43 -1.26 -1.49 118.68 113.50 1yre s LEU 102 Ca -0.11 -0.18 -0.26 0.00 -1.03 0.00 0.00 54.13 52.55 1yre s LEU 102 Cb -0.05 -0.19 -0.12 0.00 0.03 0.00 0.00 46.19 45.87 1yre s LEU 102 CO -0.00 -0.01 1.08 -0.67 0.23 0.00 0.00 176.35 176.98 1yre n ASP 103 N 2.63 1.66 0.21 2.29 2.03 -0.15 -4.87 116.55 120.35 1yre n ASP 103 Ca -0.15 1.11 0.06 0.00 0.52 0.00 0.00 54.79 56.33 1yre n ASP 103 Cb 0.58 -1.38 0.46 0.00 -0.72 0.00 0.00 41.12 40.06 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 1.87 0.00 0.00 -0.67 3.07 -1.96 0.12 115.11 117.55 1yre h GLN 104 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.30 1yre h GLN 104 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.88 1yre h GLN 104 CO 0.59 0.29 0.00 0.00 0.09 0.00 0.00 178.83 179.80 1yre n ALA 105 N -2.38 1.40 0.67 0.06 0.00 -1.26 -1.65 120.51 117.35 1yre n ALA 105 Ca -0.02 -0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.49 1yre n ALA 105 Cb 0.37 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.77 1yre n ALA 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1yre n GLN 106 N -1.17 1.91 -2.32 0.00 1.13 0.03 -4.88 117.38 112.07 1yre n GLN 106 Ca 0.01 -0.54 -0.42 0.00 -1.94 0.00 0.00 57.00 54.10 1yre n GLN 106 Cb 0.01 -1.22 -0.03 0.00 0.11 0.00 0.00 30.24 29.11 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 -1.97 2.84 0.00 1.08 3.76 -0.66 -2.22 115.29 118.12 1yre s HIS 107 Ca 0.10 0.91 0.00 0.00 -0.15 0.00 0.00 55.06 55.93 1yre s HIS 107 Cb 0.12 -3.58 0.00 0.00 1.11 0.00 0.00 32.58 30.23 1yre s HIS 107 CO 0.44 -2.07 0.00 0.41 -0.85 0.00 0.00 174.74 172.67 1yre n GLY 108 N 3.61 0.40 0.07 -2.22 0.00 -1.26 -4.94 105.19 100.86 1yre n GLY 108 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 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 0.00 0.59 0.00 1.61 3.41 -0.94 -4.89 113.62 113.40 1yre n SER 109 Ca 0.00 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 1yre n SER 109 Cb 0.00 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 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 1.36 1.16 0.08 5.00 0.00 -1.26 -4.97 105.19 106.56 1yre n GLY 110 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.07 -0.65 0.99 5.85 -1.90 -1.86 115.31 117.67 1yre h LEU 111 Ca 0.00 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.77 1yre h LEU 111 Cb 0.00 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 1yre h LEU 111 CO 0.00 -0.02 0.42 -1.13 -0.34 0.00 0.00 178.44 177.37 1yre h ASN 112 N 0.02 0.71 -0.21 1.25 -1.24 -1.93 -0.04 115.58 114.14 1yre h ASN 112 Ca 0.06 -0.01 0.05 0.00 0.71 0.00 0.00 56.30 57.10 1yre h ASN 112 Cb 0.07 -0.17 -0.05 0.00 0.73 0.00 0.00 38.32 38.91 1yre h ASN 112 CO -0.11 0.51 -0.08 -0.09 -1.29 0.00 0.00 177.43 176.37 1yre h ARG 113 N 0.84 -0.05 -0.39 6.67 2.43 -1.96 -0.26 114.38 121.66 1yre h ARG 113 Ca 0.25 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.37 1yre h ARG 113 Cb -0.05 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1yre h ARG 113 CO -0.07 -0.03 0.03 1.98 -1.51 0.00 0.00 179.97 180.37 1yre h MET 114 N -0.05 0.67 -0.35 0.20 4.05 -0.85 -0.96 114.93 117.63 1yre h MET 114 Ca 0.11 -0.20 0.07 0.00 -0.28 0.00 0.00 59.70 59.41 1yre h MET 114 Cb 0.21 -0.07 -0.07 0.00 -0.80 0.00 0.00 31.60 30.87 1yre h MET 114 CO -0.24 0.74 -0.12 0.82 0.23 0.00 0.00 176.91 178.34 1yre h ILE 115 N 0.50 0.59 -0.59 1.77 2.04 -0.82 -1.35 117.51 119.65 1yre h ILE 115 Ca 0.12 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.92 1yre h ILE 115 Cb 0.42 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1yre h ILE 115 CO 0.01 0.00 0.13 0.11 0.00 0.00 0.00 178.15 178.40 1yre h LYS 116 N -0.04 0.92 0.07 2.37 1.79 -0.79 -1.07 116.57 119.83 1yre h LYS 116 Ca 0.17 -0.20 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1yre h LYS 116 Cb 0.30 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 1yre h LYS 116 CO -0.39 0.83 -0.04 -0.92 -1.08 0.00 0.00 179.45 177.86 1yre h TYR 117 N 0.88 -0.10 -0.52 -1.35 3.20 -0.98 0.38 116.97 118.48 1yre h TYR 117 Ca 0.19 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.11 1yre h TYR 117 Cb 0.33 0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.59 1yre h TYR 117 CO 0.02 -0.06 0.24 -0.07 -1.64 0.00 0.00 178.16 176.65 1yre h LEU 118 N -0.10 0.33 -0.09 2.82 3.38 -0.98 0.12 115.31 120.78 1yre h LEU 118 Ca -0.01 0.04 -0.25 0.00 0.09 0.00 0.00 57.88 57.75 1yre h LEU 118 Cb 0.08 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.83 1yre h LEU 118 CO 0.01 0.22 -0.94 0.24 0.09 0.00 0.00 178.44 178.07 1yre h MET 119 N 0.47 0.69 -0.46 1.13 2.86 -0.89 -1.45 114.93 117.28 1yre h MET 119 Ca 0.24 -0.68 -0.12 0.00 -2.06 0.00 0.00 59.70 57.08 1yre h MET 119 Cb 0.18 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1yre h MET 119 CO -0.19 1.27 -0.20 -0.07 1.06 0.00 0.00 176.91 178.78 1yre h LEU 120 N 0.42 0.94 -0.07 1.22 3.38 -0.23 -1.47 115.31 119.51 1yre h LEU 120 Ca -0.10 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 1yre h LEU 120 Cb 1.58 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 1yre h LEU 120 CO 0.18 1.11 0.04 0.50 0.09 0.00 0.00 178.44 180.37 1yre h LYS 121 N 0.80 0.09 -0.80 1.13 3.11 -0.63 -0.67 116.57 119.61 1yre h LYS 121 Ca 0.11 -0.01 0.05 0.00 -2.81 0.00 0.00 60.65 57.99 1yre h LYS 121 Cb 0.76 -0.02 -0.05 0.00 -1.00 0.00 0.00 32.23 31.92 1yre h LYS 121 CO 0.06 0.12 0.53 1.25 -2.81 0.00 0.00 179.45 178.59 1yre h HIS 122 N 0.05 0.92 0.23 1.91 2.76 -1.16 0.11 115.15 119.96 1yre h HIS 122 Ca 0.02 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 1yre h HIS 122 Cb 0.05 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 28.70 1yre h HIS 122 CO -0.06 0.51 -0.11 0.00 -1.30 0.00 0.00 177.93 176.98 1yre h ALA 123 N 1.55 -0.30 0.04 5.26 0.00 -0.82 -0.70 119.26 124.28 1yre h ALA 123 Ca 0.33 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 1yre h ALA 123 Cb 0.13 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1yre h ALA 123 CO -0.11 -0.56 -0.75 0.74 0.00 0.00 0.00 179.25 178.58 1yre h PHE 124 N -0.53 0.14 -0.06 0.00 0.04 -1.12 -0.71 116.94 114.70 1yre h PHE 124 Ca -0.03 -0.10 -0.22 0.00 2.80 0.00 0.00 57.97 60.42 1yre h PHE 124 Cb 0.40 -0.01 0.01 0.00 2.20 0.00 0.00 35.95 38.55 1yre h PHE 124 CO 0.00 1.29 -0.82 -0.44 -0.60 0.00 0.00 178.31 177.74 1yre h ASP 125 N -0.80 0.82 0.00 2.17 3.32 -0.94 -2.92 116.42 118.07 1yre h ASP 125 Ca -0.18 -0.70 -0.27 0.00 0.02 0.00 0.00 57.03 55.90 1yre h ASP 125 Cb 1.31 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.57 1yre h ASP 125 CO -0.04 1.40 -1.47 0.59 -1.72 0.00 0.00 179.24 178.00 1yre n ASN 126 N -3.99 1.88 0.05 6.45 4.13 -1.01 -4.58 115.26 118.19 1yre n ASN 126 Ca -0.10 0.41 0.13 0.00 1.68 0.00 0.00 54.58 56.71 1yre n ASN 126 Cb 0.77 -0.93 0.37 0.00 -1.54 0.00 0.00 39.78 38.45 1yre n ASN 126 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1yre n LEU 127 N -4.41 0.52 -3.13 3.41 4.77 -0.30 -4.97 117.00 112.89 1yre n LEU 127 Ca -0.35 0.36 -0.23 0.00 -0.03 0.00 0.00 56.01 55.76 1yre n LEU 127 Cb 0.70 -0.31 0.04 0.00 -2.33 0.00 0.00 43.42 41.52 1yre n LEU 127 CO 0.15 -0.05 0.04 0.54 -1.33 0.00 0.00 177.39 176.75 1yre n ARG 128 N -1.89 -5.44 -1.50 3.23 1.74 -0.61 -4.92 116.66 107.27 1yre n ARG 128 Ca 0.05 0.89 -0.41 0.00 -0.77 0.00 0.00 57.85 57.62 1yre n ARG 128 Cb 0.39 -5.79 0.01 0.00 -1.02 0.00 0.00 32.46 26.05 1yre n ARG 128 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1yre n MET 129 N -4.21 0.79 0.03 5.56 2.81 -0.37 -4.63 117.12 117.09 1yre n MET 129 Ca -0.09 0.29 0.11 0.00 -1.81 0.00 0.00 57.70 56.20 1yre n MET 129 Cb 0.61 -1.70 -0.05 0.00 -0.71 0.00 0.00 33.22 31.38 1yre n MET 129 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 1yre n VAL 130 N -0.88 0.23 -3.75 2.03 0.24 0.59 -4.57 118.33 112.22 1yre n VAL 130 Ca 0.11 -0.38 -0.13 0.00 -2.04 0.00 0.00 64.34 61.90 1yre n VAL 130 Cb 0.40 0.05 -0.11 0.00 -1.47 0.00 0.00 33.84 32.71 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 -3.32 0.39 -0.10 7.34 3.52 -1.25 -1.23 118.95 124.29 1yre s ARG 131 Ca -0.01 0.48 0.01 0.00 -0.13 0.00 0.00 55.73 56.08 1yre s ARG 131 Cb 0.13 0.18 0.02 0.00 -1.56 0.00 0.00 34.95 33.71 1yre s ARG 131 CO 0.83 -0.05 -0.12 0.08 -0.81 0.00 0.00 175.30 175.23 1yre s VAL 132 N 0.25 1.23 0.09 7.11 1.01 -0.02 -3.06 120.40 127.01 1yre s VAL 132 Ca -0.01 -0.47 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 1yre s VAL 132 Cb -0.03 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 1yre s VAL 132 CO -0.00 0.39 0.33 -1.58 0.00 0.00 0.00 175.10 174.23 1yre s GLN 133 N 1.16 3.59 0.03 2.72 0.74 -0.46 -1.14 119.66 126.30 1yre s GLN 133 Ca -0.05 -0.12 0.02 0.00 0.05 0.00 0.00 55.36 55.27 1yre s GLN 133 Cb -0.14 -2.95 -0.02 0.00 1.10 0.00 0.00 33.01 31.00 1yre s GLN 133 CO -0.03 0.54 -0.08 -0.51 -0.55 0.00 0.00 175.29 174.66 1yre s LEU 134 N -2.36 2.17 0.11 3.68 1.43 -0.83 -1.64 118.68 121.23 1yre s LEU 134 Ca 0.36 -0.40 -0.14 0.00 -1.03 0.00 0.00 54.13 52.92 1yre s LEU 134 Cb -0.13 -0.27 0.03 0.00 0.03 0.00 0.00 46.19 45.85 1yre s LEU 134 CO 0.23 -0.09 0.35 -0.94 0.23 0.00 0.00 176.35 176.13 1yre s SER 135 N -1.09 -0.15 0.24 2.29 1.04 -1.26 -0.16 113.70 114.61 1yre s SER 135 Ca -0.05 -0.37 -0.18 0.00 0.48 0.00 0.00 55.95 55.83 1yre s SER 135 Cb -0.07 0.43 0.02 0.00 0.10 0.00 0.00 66.02 66.50 1yre s SER 135 CO 0.00 -0.80 0.60 0.28 0.98 0.00 0.00 173.24 174.30 1yre s THR 136 N -3.69 0.01 0.24 2.02 -1.32 -0.49 -4.92 115.64 107.49 1yre s THR 136 Ca 0.03 -0.93 -0.31 0.00 -1.21 0.00 0.00 61.69 59.26 1yre s THR 136 Cb 0.02 -1.83 -0.13 0.00 -1.51 0.00 0.00 72.50 69.06 1yre s THR 136 CO -0.11 -0.04 1.49 0.00 -2.21 0.00 0.00 174.62 173.75 1yre n ALA 137 N -0.40 1.58 -0.04 11.08 0.00 -1.26 -0.46 120.51 131.01 1yre n ALA 137 Ca -0.06 0.40 0.24 0.00 0.00 0.00 0.00 53.44 54.02 1yre n ALA 137 Cb 0.61 -2.34 0.67 0.00 0.00 0.00 0.00 19.45 18.39 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 4.62 2.46 0.00 0.00 0.00 -1.58 0.72 119.26 125.48 1yre h ALA 138 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1yre h ALA 138 Cb 1.26 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1yre h ALA 138 CO 0.79 -1.05 -0.88 0.43 0.00 0.00 0.00 179.25 178.54 1yre n SER 139 N -3.63 0.74 -4.50 0.00 7.64 -1.26 -4.67 113.62 107.94 1yre n SER 139 Ca 0.14 0.15 -0.44 0.00 1.01 0.00 0.00 58.87 59.73 1yre n SER 139 Cb 0.94 0.42 -0.00 0.00 -1.01 0.00 0.00 64.21 64.56 1yre n SER 139 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1yre s ASN 140 N -4.66 6.96 0.22 6.43 3.84 0.24 -4.83 114.94 123.15 1yre s ASN 140 Ca 0.03 -2.74 -0.02 0.00 0.21 0.00 0.00 52.86 50.34 1yre s ASN 140 Cb 0.12 -2.46 0.21 0.00 -0.55 0.00 0.00 41.25 38.57 1yre s ASN 140 CO 0.77 -0.91 1.60 -0.07 -2.79 0.00 0.00 177.10 175.69 1yre h LEU 141 N 10.71 0.62 -0.36 3.21 3.38 -1.83 -1.64 115.31 129.40 1yre h LEU 141 Ca 0.35 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1yre h LEU 141 Cb 0.88 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1yre h LEU 141 CO 1.31 0.94 0.17 -0.09 0.09 0.00 0.00 178.44 180.86 1yre h ARG 142 N 0.49 0.52 -0.17 1.13 2.43 -1.97 -1.39 114.38 115.42 1yre h ARG 142 Ca 0.05 -0.08 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 1yre h ARG 142 Cb 0.88 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 1yre h ARG 142 CO 0.08 0.47 -0.31 0.00 -1.51 0.00 0.00 179.97 178.70 1yre h ALA 143 N 1.02 1.17 -0.31 2.80 0.00 -1.92 -1.16 119.26 120.86 1yre h ALA 143 Ca 0.12 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1yre h ALA 143 Cb 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1yre h ALA 143 CO -0.02 0.54 -0.11 1.96 0.00 0.00 0.00 179.25 181.63 1yre h GLN 144 N 0.29 0.62 -0.61 0.00 4.20 -1.04 0.19 115.11 118.76 1yre h GLN 144 Ca 0.04 -0.25 0.02 0.00 0.06 0.00 0.00 58.65 58.51 1yre h GLN 144 Cb 0.69 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.41 1yre h GLN 144 CO 0.05 0.83 0.39 0.78 -0.67 0.00 0.00 178.83 180.21 1yre h GLY 145 N 0.39 0.87 0.79 3.46 0.00 -1.06 -0.50 103.07 107.02 1yre h GLY 145 Ca 0.08 -0.30 0.02 0.00 0.00 0.00 0.00 47.33 47.13 1yre h GLY 145 CO 0.04 0.27 0.04 0.00 0.00 0.00 0.00 176.54 176.89 1yre h ALA 146 N 1.25 0.20 -0.43 3.60 0.00 -1.05 -2.22 119.26 120.61 1yre h ALA 146 Ca 0.24 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1yre h ALA 146 Cb -0.03 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1yre h ALA 146 CO -0.08 -0.39 0.26 0.82 0.00 0.00 0.00 179.25 179.86 1yre h ILE 147 N 0.12 1.14 -0.71 0.00 2.04 -0.59 -2.68 117.51 116.83 1yre h ILE 147 Ca 0.09 -0.31 0.11 0.00 1.00 0.00 0.00 64.86 65.75 1yre h ILE 147 Cb 0.08 0.56 -0.08 0.00 -0.74 0.00 0.00 36.82 36.64 1yre h ILE 147 CO -0.12 0.14 0.32 0.44 0.00 0.00 0.00 178.15 178.93 1yre h ASP 148 N 0.57 0.37 -0.21 1.72 3.32 -0.97 -0.79 116.42 120.44 1yre h ASP 148 Ca 0.16 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.31 1yre h ASP 148 Cb -0.01 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1yre h ASP 148 CO -0.03 0.20 0.14 0.11 -1.72 0.00 0.00 179.24 177.94 1yre h LYS 149 N 0.53 0.18 0.00 3.56 1.57 -1.08 0.41 116.57 121.74 1yre h LYS 149 Ca 0.36 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1yre h LYS 149 Cb 0.45 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1yre h LYS 149 CO -0.31 0.12 0.00 -0.07 -0.57 0.00 0.00 179.45 178.61 1yre h LEU 150 N 0.18 0.00 0.00 2.94 3.38 -0.88 -3.47 115.31 117.47 1yre h LEU 150 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1yre h LEU 150 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1yre h LEU 150 CO -0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.12 1yre n GLY 151 N -0.19 0.69 3.77 0.83 0.00 0.14 -4.91 105.19 105.52 1yre n GLY 151 Ca 0.00 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 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 3.28 -0.11 4.61 0.00 -1.22 -4.93 121.76 121.39 1yre s ALA 152 Ca 0.00 0.86 -0.19 0.00 0.00 0.00 0.00 51.96 52.62 1yre s ALA 152 Cb 0.00 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 1yre s ALA 152 CO 0.00 -0.24 0.53 1.14 0.00 0.00 0.00 175.76 177.19 1yre s GLN 153 N -1.89 4.36 0.38 0.00 -2.07 0.17 -4.71 119.66 115.90 1yre s GLN 153 Ca 0.50 0.55 -0.27 0.00 -1.82 0.00 0.00 55.36 54.33 1yre s GLN 153 Cb -0.29 -3.44 -0.09 0.00 -1.09 0.00 0.00 33.01 28.10 1yre s GLN 153 CO 0.37 0.13 1.27 0.50 -1.32 0.00 0.00 175.29 176.24 1yre s ARG 154 N 0.70 4.10 0.00 9.60 3.52 -1.26 -0.80 118.95 134.81 1yre s ARG 154 Ca 0.29 2.10 0.00 0.00 -0.13 0.00 0.00 55.73 57.98 1yre s ARG 154 Cb -0.16 -2.83 0.00 0.00 -1.56 0.00 0.00 34.95 30.40 1yre s ARG 154 CO 0.12 -0.36 0.00 0.39 -0.81 0.00 0.00 175.30 174.64 1yre n GLU 155 N 0.32 2.92 -3.22 5.12 1.02 0.91 -4.90 120.64 122.81 1yre n GLU 155 Ca 0.03 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.19 1yre n GLU 155 Cb 0.44 -0.88 0.01 0.00 -0.02 0.00 0.00 31.44 30.98 1yre n GLU 155 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yre n GLY 156 N 2.36 0.35 2.86 0.62 0.00 -1.11 -5.01 105.19 105.28 1yre n GLY 156 Ca 0.00 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 1yre n GLY 156 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yre s VAL 157 N -2.06 1.32 -0.25 1.61 1.01 -1.26 -1.48 120.40 119.29 1yre s VAL 157 Ca 0.19 -1.36 -0.22 0.00 0.00 0.00 0.00 61.98 60.59 1yre s VAL 157 Cb -0.00 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 1yre s VAL 157 CO -0.01 -0.36 0.71 -0.76 0.00 0.00 0.00 175.10 174.68 1yre s LEU 158 N 1.45 4.07 0.26 3.92 1.43 0.43 -4.90 118.68 125.34 1yre s LEU 158 Ca 0.02 0.84 -0.25 0.00 -1.03 0.00 0.00 54.13 53.72 1yre s LEU 158 Cb -0.18 -2.99 -0.09 0.00 0.03 0.00 0.00 46.19 42.96 1yre s LEU 158 CO -0.12 -0.42 0.86 -0.13 0.23 0.00 0.00 176.35 176.76 1yre s ARG 159 N 2.60 4.52 -1.45 1.70 0.52 -1.26 -0.41 118.95 125.16 1yre s ARG 159 Ca 0.30 1.19 -0.01 0.00 -0.52 0.00 0.00 55.73 56.69 1yre s ARG 159 Cb -0.15 -2.95 0.01 0.00 0.52 0.00 0.00 34.95 32.38 1yre s ARG 159 CO 0.08 0.38 0.33 0.09 0.02 0.00 0.00 175.30 176.21 1yre n ASN 160 N 0.87 -0.11 -0.00 0.23 3.02 -1.24 -4.86 115.26 113.18 1yre n ASN 160 Ca -0.01 -1.07 0.08 0.00 -0.03 0.00 0.00 54.58 53.56 1yre n ASN 160 Cb 0.50 -2.71 -0.11 0.00 -0.61 0.00 0.00 39.78 36.85 1yre n ASN 160 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1yre n HIS 161 N -4.44 0.00 -3.80 3.10 -0.00 -0.73 -4.96 115.22 104.39 1yre n HIS 161 Ca -0.30 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 57.78 1yre n HIS 161 Cb 0.68 -0.08 -0.06 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 -2.77 1.12 -0.00 1.57 1.70 -0.83 -4.95 118.95 114.79 1yre s ARG 162 Ca 0.04 -0.93 0.05 0.00 -0.47 0.00 0.00 55.73 54.42 1yre s ARG 162 Cb 0.13 0.43 -0.03 0.00 -0.57 0.00 0.00 34.95 34.91 1yre s ARG 162 CO 0.73 -0.43 -0.13 1.03 -1.08 0.00 0.00 175.30 175.42 1yre s ARG 163 N -3.88 2.38 0.81 3.89 0.52 -1.26 -0.06 118.95 121.35 1yre s ARG 163 Ca 0.09 -0.80 -0.10 0.00 -0.52 0.00 0.00 55.73 54.40 1yre s ARG 163 Cb 0.02 -2.36 0.12 0.00 0.52 0.00 0.00 34.95 33.25 1yre s ARG 163 CO -0.06 0.59 1.14 -0.51 0.02 0.00 0.00 175.30 176.48 1yre s LEU 164 N -1.20 2.74 0.33 2.53 1.43 0.19 -3.86 118.68 120.84 1yre s LEU 164 Ca 0.14 0.35 0.08 0.00 -1.03 0.00 0.00 54.13 53.68 1yre s LEU 164 Cb -0.11 -2.74 0.81 0.00 0.03 0.00 0.00 46.19 44.18 1yre s LEU 164 CO 0.04 -2.06 1.79 0.00 0.23 0.00 0.00 176.35 176.36 1yre h ALA 165 N -1.02 1.78 -0.04 4.21 0.00 -1.07 0.91 119.26 124.03 1yre h ALA 165 Ca -0.44 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1yre h ALA 165 Cb 1.29 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1yre h ALA 165 CO 0.52 -0.14 0.00 0.41 0.00 0.00 0.00 179.25 180.04 1yre n GLY 166 N -1.37 -0.41 0.00 0.00 0.00 -1.26 -4.88 105.19 97.27 1yre n GLY 166 Ca 0.23 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 1.04 0.26 3.74 -0.02 0.00 0.31 -5.05 105.19 105.47 1yre n GLY 167 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.00 4.24 0.41 1.61 3.52 -1.26 -4.60 118.95 121.88 1yre s ARG 168 Ca 0.00 2.34 -0.26 0.00 -0.13 0.00 0.00 55.73 57.67 1yre s ARG 168 Cb 0.00 -3.11 -0.09 0.00 -1.56 0.00 0.00 34.95 30.19 1yre s ARG 168 CO 0.00 -0.48 1.32 -0.51 -0.81 0.00 0.00 175.30 174.82 1yre s LEU 169 N -0.06 4.22 0.09 -0.88 1.43 -1.26 0.54 118.68 122.75 1yre s LEU 169 Ca 0.62 2.69 -0.04 0.00 -1.03 0.00 0.00 54.13 56.37 1yre s LEU 169 Cb -0.43 -3.89 -0.03 0.00 0.03 0.00 0.00 46.19 41.88 1yre s LEU 169 CO 0.41 -0.86 0.09 -0.62 0.23 0.00 0.00 176.35 175.59 1yre s ASP 170 N -0.69 0.30 0.71 2.29 2.15 0.91 -4.85 116.67 117.48 1yre s ASP 170 Ca 0.57 -0.93 -0.11 0.00 0.43 0.00 0.00 52.55 52.51 1yre s ASP 170 Cb -0.39 0.29 0.01 0.00 -0.30 0.00 0.00 42.92 42.53 1yre s ASP 170 CO 0.50 -0.70 1.08 -1.81 -0.17 0.00 0.00 175.17 174.07 1yre s ASP 171 N -2.93 5.40 -0.10 -0.34 1.01 -1.26 -1.77 116.67 116.68 1yre s ASP 171 Ca 0.11 1.27 0.03 0.00 0.71 0.00 0.00 52.55 54.67 1yre s ASP 171 Cb 0.06 -2.11 -0.01 0.00 1.01 0.00 0.00 42.92 41.87 1yre s ASP 171 CO -0.07 -1.39 -0.20 -0.89 0.21 0.00 0.00 175.17 172.84 1yre s THR 172 N -3.25 2.50 -0.19 -1.27 2.01 0.45 -1.48 115.64 114.40 1yre s THR 172 Ca 0.58 -0.88 -0.19 0.00 0.31 0.00 0.00 61.69 61.51 1yre s THR 172 Cb -0.12 -1.98 -0.03 0.00 0.01 0.00 0.00 72.50 70.38 1yre s THR 172 CO 0.53 0.55 0.54 -0.36 -0.69 0.00 0.00 174.62 175.19 1yre s PHE 173 N 0.12 3.39 -0.11 4.92 0.40 0.39 -0.42 117.98 126.67 1yre s PHE 173 Ca -0.10 0.82 -0.01 0.00 -0.60 0.00 0.00 56.93 57.04 1yre s PHE 173 Cb -0.16 -2.69 -0.03 0.00 0.51 0.00 0.00 43.02 40.66 1yre s PHE 173 CO 0.06 -0.09 -0.05 0.08 0.70 0.00 0.00 175.22 175.92 1yre s VAL 174 N 1.58 3.86 0.26 -0.44 1.01 -0.55 -1.39 120.40 124.73 1yre s VAL 174 Ca 0.25 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.85 1yre s VAL 174 Cb -0.16 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 1yre s VAL 174 CO 0.10 0.56 0.08 -0.31 0.00 0.00 0.00 175.10 175.53 1yre s TYR 175 N -0.32 1.56 0.26 5.22 2.02 0.78 -0.06 117.35 126.80 1yre s TYR 175 Ca 0.05 -1.13 -0.17 0.00 -0.37 0.00 0.00 57.07 55.45 1yre s TYR 175 Cb -0.12 -0.93 0.01 0.00 -0.40 0.00 0.00 41.96 40.52 1yre s TYR 175 CO 0.02 -0.27 0.59 -1.54 -1.57 0.00 0.00 175.55 172.78 1yre s SER 176 N -3.32 -0.18 -0.07 2.29 1.04 0.02 -1.97 113.70 111.51 1yre s SER 176 Ca 0.36 -0.74 0.03 0.00 0.48 0.00 0.00 55.95 56.08 1yre s SER 176 Cb 0.08 0.65 0.01 0.00 0.10 0.00 0.00 66.02 66.85 1yre s SER 176 CO 0.13 -1.22 -0.14 -0.63 0.98 0.00 0.00 173.24 172.35 1yre s ILE 177 N -3.96 1.29 0.46 -1.02 1.01 -0.29 -0.65 121.20 118.03 1yre s ILE 177 Ca 0.16 -0.58 -0.00 0.00 0.00 0.00 0.00 60.65 60.23 1yre s ILE 177 Cb -0.03 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.28 1yre s ILE 177 CO 0.07 0.39 0.69 0.42 0.00 0.00 0.00 174.94 176.50 1yre s THR 178 N 0.52 4.07 0.47 2.92 -4.23 -1.26 -0.84 115.64 117.28 1yre s THR 178 Ca -0.13 -0.42 0.22 0.00 -1.18 0.00 0.00 61.69 60.17 1yre s THR 178 Cb -0.15 -3.51 0.26 0.00 1.34 0.00 0.00 72.50 70.43 1yre s THR 178 CO 0.04 -0.38 2.08 -2.24 -0.54 0.00 0.00 174.62 173.58 1yre h ASP 179 N 0.37 0.00 0.73 3.99 2.03 -1.41 -0.29 116.42 121.83 1yre h ASP 179 Ca -0.46 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 55.75 1yre h ASP 179 Cb 1.25 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.74 1yre h ASP 179 CO 0.58 0.12 -0.42 0.45 -1.03 0.00 0.00 179.24 178.93 1yre h HIS 180 N 0.00 0.00 0.00 4.15 3.86 -1.95 -3.22 115.15 118.00 1yre h HIS 180 Ca -0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.13 1yre h HIS 180 Cb 0.25 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 1yre h HIS 180 CO 0.00 0.42 -1.08 0.93 0.86 0.00 0.00 177.93 179.06 1yre h GLU 181 N 0.00 0.00 -0.50 2.45 5.08 -1.47 -3.41 114.58 116.73 1yre h GLU 181 Ca -0.00 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1yre h GLU 181 Cb 0.90 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.11 1yre h GLU 181 CO 0.05 0.17 0.28 2.35 -1.00 0.00 0.00 179.01 180.87 1yre h TRP 182 N 0.00 0.53 -0.95 4.33 -0.00 -1.35 -1.92 115.95 116.59 1yre h TRP 182 Ca -0.07 0.02 0.25 0.00 -0.00 0.00 0.00 58.89 59.09 1yre h TRP 182 Cb 1.29 -0.17 -0.13 0.00 -0.00 0.00 0.00 29.16 30.16 1yre h TRP 182 CO 0.00 0.29 0.48 -1.35 -0.00 0.00 0.00 178.44 177.86 1yre h PRO 183 N 0.56 0.41 0.01 2.65 0.11 -1.78 0.46 132.00 134.42 1yre h PRO 183 Ca 0.21 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 66.09 1yre h PRO 183 Cb 0.06 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 1yre h PRO 183 CO -0.11 0.27 -0.91 1.96 -0.21 0.00 0.00 178.00 179.00 1yre h GLN 184 N 0.43 0.27 -0.02 1.05 4.20 -1.71 -1.97 115.11 117.35 1yre h GLN 184 Ca 0.62 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 59.03 1yre h GLN 184 Cb 1.24 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 29.10 1yre h GLN 184 CO -0.54 1.01 -0.00 0.28 -0.67 0.00 0.00 178.83 178.91 1yre h VAL 185 N 0.15 1.28 0.06 -0.54 2.07 -0.45 -1.93 116.25 116.89 1yre h VAL 185 Ca -0.06 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.62 1yre h VAL 185 Cb 1.54 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 33.10 1yre h VAL 185 CO 0.15 0.22 -0.26 0.50 0.02 0.00 0.00 177.57 178.20 1yre h LYS 186 N -0.30 -0.35 -0.99 1.57 3.64 -0.18 0.87 116.57 120.82 1yre h LYS 186 Ca 0.01 0.02 0.34 0.00 -1.27 0.00 0.00 60.65 59.75 1yre h LYS 186 Cb 0.36 0.08 -0.16 0.00 -0.41 0.00 0.00 32.23 32.11 1yre h LYS 186 CO 0.00 -0.24 0.52 0.00 -2.27 0.00 0.00 179.45 177.47 1yre h ALA 187 N -1.07 1.94 -0.11 5.00 0.00 -1.40 0.16 119.26 123.77 1yre h ALA 187 Ca -0.00 0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.94 1yre h ALA 187 Cb 0.37 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1yre h ALA 187 CO -0.14 -0.66 -0.70 0.00 0.00 0.00 0.00 179.25 177.75 1yre h ALA 188 N 1.89 0.57 -0.15 0.00 0.00 -0.61 -2.20 119.26 118.76 1yre h ALA 188 Ca 0.75 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1yre h ALA 188 Cb 1.77 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 1yre h ALA 188 CO -0.66 0.73 -0.05 -0.07 0.00 0.00 0.00 179.25 179.20 1yre h LEU 189 N 0.35 0.30 -0.98 0.00 3.38 0.17 -2.74 115.31 115.80 1yre h LEU 189 Ca -0.03 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.58 1yre h LEU 189 Cb 1.28 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.89 1yre h LEU 189 CO 0.13 0.62 0.65 -0.33 0.09 0.00 0.00 178.44 179.59 1yre h GLU 190 N -0.02 1.26 0.00 1.13 5.08 -0.93 -1.91 114.58 119.20 1yre h GLU 190 Ca 0.04 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1yre h GLU 190 Cb 0.49 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1yre h GLU 190 CO 0.02 0.84 0.00 0.00 -1.00 0.00 0.00 179.01 178.86 1yre h ALA 191 N 1.37 1.00 -0.01 3.43 0.00 -1.44 -1.96 119.26 121.65 1yre h ALA 191 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1yre h ALA 191 Cb -0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1yre h ALA 191 CO -0.09 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.03 1yre n SER 192 N -2.81 0.16 0.00 0.00 3.41 -0.72 -5.08 113.62 108.58 1yre n SER 192 Ca 0.01 -1.20 0.00 0.00 -0.26 0.00 0.00 58.87 57.42 1yre n SER 192 Cb 0.25 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1yre n SER 192 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37