#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yre s PRO 12 N 0.00 3.64 0.02 3.23 0.02 -1.26 -5.02 135.00 135.63 1yre s PRO 12 Ca 0.00 2.00 0.01 0.00 0.02 0.00 0.00 61.00 63.03 1yre s PRO 12 Cb 0.00 -2.46 -0.01 0.00 0.02 0.00 0.00 34.50 32.05 1yre s PRO 12 CO 0.00 -0.71 -0.04 -1.50 -0.33 0.00 0.00 177.00 174.41 1yre s ILE 13 N -1.40 0.30 -0.17 2.83 1.10 -1.26 -5.08 121.20 117.53 1yre s ILE 13 Ca 0.64 -0.57 -0.09 0.00 -0.51 0.00 0.00 60.65 60.12 1yre s ILE 13 Cb -0.34 -0.34 -0.05 0.00 0.15 0.00 0.00 42.46 41.88 1yre s ILE 13 CO 0.42 -0.18 0.14 0.28 -2.11 0.00 0.00 174.94 173.49 1yre s THR 14 N -0.74 5.44 -0.05 4.00 -1.32 -1.26 -3.88 115.64 117.82 1yre s THR 14 Ca -0.06 0.22 0.06 0.00 -1.21 0.00 0.00 61.69 60.70 1yre s THR 14 Cb -0.06 -3.46 -0.02 0.00 -1.51 0.00 0.00 72.50 67.46 1yre s THR 14 CO -0.00 0.50 -0.23 -0.76 -2.21 0.00 0.00 174.62 171.92 1yre s LEU 15 N -0.13 2.19 -0.08 9.08 1.43 0.08 -4.98 118.68 126.27 1yre s LEU 15 Ca 0.11 -0.44 -0.09 0.00 -1.03 0.00 0.00 54.13 52.68 1yre s LEU 15 Cb -0.11 -1.40 0.02 0.00 0.03 0.00 0.00 46.19 44.73 1yre s LEU 15 CO 0.00 0.28 0.25 -1.10 0.23 0.00 0.00 176.35 176.02 1yre s GLN 16 N -0.39 0.35 -0.30 1.70 -0.21 -1.26 0.77 119.66 120.32 1yre s GLN 16 Ca 0.03 0.24 -0.03 0.00 0.02 0.00 0.00 55.36 55.62 1yre s GLN 16 Cb -0.12 0.16 0.10 0.00 1.00 0.00 0.00 33.01 34.16 1yre s GLN 16 CO 0.02 -0.06 0.13 0.50 -2.12 0.00 0.00 175.29 173.76 1yre s ARG 17 N -0.13 0.29 7.20 2.91 3.52 -0.42 -5.02 118.95 127.31 1yre s ARG 17 Ca -0.02 -0.67 0.00 0.00 -0.13 0.00 0.00 55.73 54.91 1yre s ARG 17 Cb -0.03 -1.30 0.00 0.00 -1.56 0.00 0.00 34.95 32.07 1yre s ARG 17 CO 0.01 -1.03 0.00 0.41 -0.81 0.00 0.00 175.30 173.88 1yre n GLY 18 N 5.11 2.28 0.00 8.12 0.00 -1.26 -2.00 105.19 117.44 1yre n GLY 18 Ca -0.04 -0.34 0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 11.18 2.21 -2.62 4.61 0.00 -1.26 -4.68 120.51 129.94 1yre n ALA 19 Ca 0.00 -0.12 -0.39 0.00 0.00 0.00 0.00 53.44 52.94 1yre n ALA 19 Cb 0.00 -1.36 -0.09 0.00 0.00 0.00 0.00 19.45 18.00 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 -2.38 4.06 -0.11 0.00 2.96 -0.85 -0.75 118.68 121.62 1yre s LEU 20 Ca 0.25 0.29 0.03 0.00 -0.22 0.00 0.00 54.13 54.48 1yre s LEU 20 Cb 0.15 -2.39 0.01 0.00 0.50 0.00 0.00 46.19 44.46 1yre s LEU 20 CO 0.31 -0.13 -0.19 -0.13 -1.32 0.00 0.00 176.35 174.88 1yre s ARG 21 N 1.82 2.60 -0.37 1.98 0.52 0.87 -1.30 118.95 125.08 1yre s ARG 21 Ca 0.14 -0.71 -0.06 0.00 -0.52 0.00 0.00 55.73 54.58 1yre s ARG 21 Cb -0.15 -2.08 0.06 0.00 0.52 0.00 0.00 34.95 33.30 1yre s ARG 21 CO 0.09 0.04 0.15 -0.51 0.02 0.00 0.00 175.30 175.09 1yre s LEU 22 N 0.68 4.64 0.06 2.53 1.43 0.23 -0.56 118.68 127.69 1yre s LEU 22 Ca -0.12 -1.39 0.08 0.00 -1.03 0.00 0.00 54.13 51.67 1yre s LEU 22 Cb -0.16 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 1yre s LEU 22 CO 0.03 -0.41 -0.21 -1.61 0.23 0.00 0.00 176.35 174.37 1yre s GLU 23 N 1.35 1.89 0.16 1.70 2.02 -0.76 -0.75 118.70 124.31 1yre s GLU 23 Ca 0.01 -1.08 -0.33 0.00 0.02 0.00 0.00 54.97 53.58 1yre s GLU 23 Cb -0.21 -2.09 -0.16 0.00 0.10 0.00 0.00 34.13 31.77 1yre s GLU 23 CO 0.01 0.51 1.06 -2.30 0.02 0.00 0.00 175.26 174.56 1yre n PRO 24 N 1.45 0.86 -2.13 0.39 -0.02 -1.25 -0.38 135.00 133.92 1yre n PRO 24 Ca -0.16 0.31 -0.40 0.00 -2.02 0.00 0.00 63.50 61.22 1yre n PRO 24 Cb 0.52 -1.73 -0.02 0.00 -0.02 0.00 0.00 33.50 32.25 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 0.87 4.40 0.17 2.45 2.96 -0.64 -4.50 118.68 124.39 1yre s LEU 25 Ca 0.74 2.66 0.07 0.00 -0.22 0.00 0.00 54.13 57.37 1yre s LEU 25 Cb -0.91 -3.69 -0.04 0.00 0.50 0.00 0.00 46.19 42.04 1yre s LEU 25 CO 0.54 -0.56 -0.14 0.68 -1.32 0.00 0.00 176.35 175.55 1yre s VAL 26 N -1.17 1.54 0.27 1.68 -7.23 -1.26 -4.97 120.40 109.27 1yre s VAL 26 Ca 0.50 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 1yre s VAL 26 Cb -0.39 -1.90 0.26 0.00 0.56 0.00 0.00 36.38 34.91 1yre s VAL 26 CO 0.51 -0.58 1.73 -0.33 -0.31 0.00 0.00 175.10 176.12 1yre h GLU 27 N 2.81 0.48 -0.20 4.82 4.39 -1.98 -1.28 114.58 123.62 1yre h GLU 27 Ca -0.38 -0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.35 1yre h GLU 27 Cb 1.21 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 1yre h GLU 27 CO 0.60 0.31 0.22 0.00 -1.16 0.00 0.00 179.01 178.99 1yre h ALA 28 N 1.62 1.81 0.00 3.43 0.00 -2.02 -2.36 119.26 121.74 1yre h ALA 28 Ca 0.49 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.35 1yre h ALA 28 Cb 0.82 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1yre h ALA 28 CO -0.44 -0.32 -0.20 -0.44 0.00 0.00 0.00 179.25 177.84 1yre h ASP 29 N 0.00 0.00 0.19 0.00 3.32 -1.64 -3.39 116.42 114.89 1yre h ASP 29 Ca 0.09 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1yre h ASP 29 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1yre h ASP 29 CO -0.00 0.20 -0.09 0.40 -1.72 0.00 0.00 179.24 178.03 1yre h ILE 30 N 0.00 0.84 -0.48 0.35 2.04 -1.53 -1.54 117.51 117.18 1yre h ILE 30 Ca -0.00 -0.09 0.09 0.00 1.00 0.00 0.00 64.86 65.86 1yre h ILE 30 Cb 0.80 0.89 -0.08 0.00 -0.74 0.00 0.00 36.82 37.69 1yre h ILE 30 CO 0.03 0.02 0.02 -0.65 0.00 0.00 0.00 178.15 177.56 1yre h PRO 31 N -0.29 0.13 -0.76 2.37 0.11 -1.78 -0.94 132.00 130.85 1yre h PRO 31 Ca -0.03 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1yre h PRO 31 Cb 0.22 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.27 1yre h PRO 31 CO 0.04 0.09 0.48 1.49 -0.21 0.00 0.00 178.00 179.89 1yre h GLU 32 N 0.13 1.01 -0.68 1.05 4.81 -1.82 -0.44 114.58 118.64 1yre h GLU 32 Ca 0.24 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1yre h GLU 32 Cb 0.36 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 1yre h GLU 32 CO -0.39 0.69 0.36 -0.07 -0.73 0.00 0.00 179.01 178.87 1yre h LEU 33 N 1.03 0.84 -0.33 1.64 3.38 -0.66 0.56 115.31 121.76 1yre h LEU 33 Ca 0.27 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 58.02 1yre h LEU 33 Cb -0.08 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.45 1yre h LEU 33 CO -0.06 0.68 -0.40 0.58 0.09 0.00 0.00 178.44 179.34 1yre h VAL 34 N 0.95 1.28 -0.35 1.22 2.07 -0.88 0.62 116.25 121.16 1yre h VAL 34 Ca 0.24 -1.57 -0.04 0.00 0.82 0.00 0.00 66.70 66.15 1yre h VAL 34 Cb 0.04 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1yre h VAL 34 CO -0.04 0.52 0.07 -1.28 0.02 0.00 0.00 177.57 176.86 1yre h SER 35 N 0.64 0.54 -0.67 0.57 0.87 -0.68 -2.21 113.55 112.61 1yre h SER 35 Ca 0.04 -0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.34 1yre h SER 35 Cb 0.99 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.78 1yre h SER 35 CO 0.10 0.65 0.35 0.25 -0.53 0.00 0.00 176.83 177.64 1yre h LEU 36 N 0.41 0.86 -0.78 2.23 5.85 0.24 -2.81 115.31 121.31 1yre h LEU 36 Ca 0.11 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1yre h LEU 36 Cb 0.33 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 1yre h LEU 36 CO 0.00 0.73 0.51 0.00 -0.34 0.00 0.00 178.44 179.34 1yre h ALA 37 N 1.17 1.01 -0.69 1.25 0.00 -0.86 -2.82 119.26 118.31 1yre h ALA 37 Ca 0.23 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.20 1yre h ALA 37 Cb 0.08 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 17.50 1yre h ALA 37 CO -0.03 0.36 0.31 1.49 0.00 0.00 0.00 179.25 181.38 1yre h GLU 38 N 1.02 0.51 0.00 0.00 4.22 -1.14 0.52 114.58 119.70 1yre h GLU 38 Ca 0.30 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.71 1yre h GLU 38 Cb -0.06 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.08 1yre h GLU 38 CO -0.09 0.34 0.00 0.00 -2.18 0.00 0.00 179.01 177.08 1yre n ALA 39 N -2.44 1.51 -0.86 2.92 0.00 -1.08 -2.48 120.51 118.08 1yre n ALA 39 Ca 0.11 0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.69 1yre n ALA 39 Cb 0.29 -1.30 0.13 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.97 2.50 -0.26 0.00 4.13 -0.30 -4.84 115.26 114.52 1yre n ASN 40 Ca 0.02 -2.88 0.01 0.00 1.68 0.00 0.00 54.58 53.41 1yre n ASN 40 Cb 0.16 -0.37 0.08 0.00 -1.54 0.00 0.00 39.78 38.12 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 0.27 -0.01 -0.27 3.52 2.43 -0.64 -0.66 114.38 119.02 1yre h ARG 41 Ca 0.00 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 1yre h ARG 41 Cb 0.97 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 1yre h ARG 41 CO 0.03 -0.01 -0.45 0.93 -1.51 0.00 0.00 179.97 178.96 1yre h GLU 42 N -0.01 0.69 -0.12 0.20 5.08 -1.87 -2.34 114.58 116.21 1yre h GLU 42 Ca 0.35 -0.38 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1yre h GLU 42 Cb 0.55 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1yre h GLU 42 CO -0.77 1.00 0.09 0.00 -1.00 0.00 0.00 179.01 178.33 1yre h ALA 43 N 0.94 2.09 -0.48 3.43 0.00 -1.54 -2.95 119.26 120.75 1yre h ALA 43 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1yre h ALA 43 Cb 1.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1yre h ALA 43 CO 0.09 -0.15 0.00 1.28 0.00 0.00 0.00 179.25 180.47 1yre n LEU 44 N -4.46 2.70 0.30 0.00 4.77 -0.60 -4.56 117.00 115.16 1yre n LEU 44 Ca -0.00 -1.32 0.19 0.00 -0.03 0.00 0.00 56.01 54.85 1yre n LEU 44 Cb 0.21 -0.32 1.02 0.00 -2.33 0.00 0.00 43.42 42.01 1yre n LEU 44 CO 0.34 0.66 1.16 0.06 -1.33 0.00 0.00 177.39 178.28 1yre h GLN 45 N 3.04 0.00 -0.33 3.23 3.07 -1.43 -1.66 115.11 121.02 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 0.69 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.25 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 -3.42 0.43 -4.62 0.06 4.01 -1.26 -1.79 117.16 110.56 1yre n TYR 46 Ca -0.02 -0.21 -0.32 0.00 -0.16 0.00 0.00 57.90 57.19 1yre n TYR 46 Cb 0.15 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.06 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 -1.57 2.39 -0.29 -0.72 -1.94 -0.63 -4.67 119.30 111.88 1yre s MET 47 Ca 0.36 -0.80 -0.05 0.00 -1.71 0.00 0.00 55.69 53.50 1yre s MET 47 Cb 0.21 -2.37 0.02 0.00 2.01 0.00 0.00 34.83 34.69 1yre s MET 47 CO 0.29 0.59 0.03 0.34 -0.01 0.00 0.00 175.02 176.26 1yre s ASP 48 N -1.26 4.87 0.00 3.03 2.15 -1.25 -2.62 116.67 121.60 1yre s ASP 48 Ca 0.15 -0.86 0.00 0.00 0.43 0.00 0.00 52.55 52.26 1yre s ASP 48 Cb -0.11 -1.80 0.00 0.00 -0.30 0.00 0.00 42.92 40.72 1yre s ASP 48 CO 0.05 -0.19 0.00 0.61 -0.17 0.00 0.00 175.17 175.47 1yre n GLY 49 N 4.77 3.27 0.21 2.66 0.00 -1.26 -5.01 105.19 109.83 1yre n GLY 49 Ca -0.15 -1.10 0.13 0.00 0.00 0.00 0.00 46.02 44.91 1yre n GLY 49 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1yre h PRO 50 N 0.00 0.00 -0.13 1.61 0.11 -1.94 0.25 132.00 131.91 1yre h PRO 50 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1yre h PRO 50 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1yre h PRO 50 CO 0.00 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.04 1yre n THR 51 N -2.43 0.17 -4.37 -1.15 -2.24 -1.26 -4.72 114.28 98.28 1yre n THR 51 Ca -0.02 -0.19 -0.19 0.00 -2.27 0.00 0.00 64.05 61.38 1yre n THR 51 Cb 0.08 0.07 -0.14 0.00 -2.10 0.00 0.00 70.33 68.24 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 -1.83 0.81 0.54 -0.78 0.52 0.87 -4.90 118.95 114.18 1yre s ARG 52 Ca 0.18 -0.50 0.20 0.00 -0.52 0.00 0.00 55.73 55.09 1yre s ARG 52 Cb 0.09 -0.78 1.39 0.00 0.52 0.00 0.00 34.95 36.17 1yre s ARG 52 CO 0.13 0.20 2.14 -1.35 0.02 0.00 0.00 175.30 176.45 1yre h PRO 53 N 5.52 0.00 -0.16 3.54 0.11 -1.91 -2.94 132.00 136.17 1yre h PRO 53 Ca -0.33 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.74 1yre h PRO 53 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1yre h PRO 53 CO 0.47 0.00 -0.07 0.38 -0.21 0.00 0.00 178.00 178.57 1yre h ASP 54 N 0.00 0.22 -0.61 -2.05 2.03 -1.96 -1.19 116.42 112.87 1yre h ASP 54 Ca 0.04 -0.04 -0.06 0.00 -0.73 0.00 0.00 57.03 56.25 1yre h ASP 54 Cb 0.18 -0.06 -0.03 0.00 -0.83 0.00 0.00 39.33 38.59 1yre h ASP 54 CO -0.00 0.33 0.17 -0.25 -1.03 0.00 0.00 179.24 178.46 1yre h TRP 55 N 0.24 1.03 -0.09 4.15 7.01 -1.75 0.32 115.95 126.85 1yre h TRP 55 Ca 0.05 -0.10 -0.19 0.00 2.11 0.00 0.00 58.89 60.76 1yre h TRP 55 Cb 0.29 -0.30 0.01 0.00 -2.10 0.00 0.00 29.16 27.06 1yre h TRP 55 CO 0.00 0.84 -0.68 1.88 -2.79 0.00 0.00 178.44 177.69 1yre h TYR 56 N 0.95 0.86 -0.70 2.65 0.05 -1.44 -2.98 116.97 116.36 1yre h TYR 56 Ca 0.20 -0.40 -0.06 0.00 0.05 0.00 0.00 58.73 58.52 1yre h TYR 56 Cb 0.32 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 37.91 1yre h TYR 56 CO 0.02 1.21 0.21 0.00 -1.05 0.00 0.00 178.16 178.55 1yre h ARG 57 N 0.26 1.09 -0.73 4.88 3.08 -1.02 -1.73 114.38 120.21 1yre h ARG 57 Ca -0.06 -0.24 0.15 0.00 0.07 0.00 0.00 59.98 59.90 1yre h ARG 57 Cb 1.33 -0.15 -0.10 0.00 0.08 0.00 0.00 29.97 31.13 1yre h ARG 57 CO 0.14 0.95 0.21 0.37 -1.07 0.00 0.00 179.97 180.57 1yre h GLN 58 N 1.03 0.31 -0.11 0.04 5.75 -0.42 0.83 115.11 122.54 1yre h GLN 58 Ca 0.22 -0.02 -0.11 0.00 -0.15 0.00 0.00 58.65 58.59 1yre h GLN 58 Cb 0.32 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.79 1yre h GLN 58 CO -0.00 0.20 -0.44 0.66 -2.65 0.00 0.00 178.83 176.59 1yre h SER 59 N 0.32 0.27 0.10 -0.69 4.64 -1.17 -1.48 113.55 115.53 1yre h SER 59 Ca 0.41 -0.12 -0.24 0.00 -0.47 0.00 0.00 61.79 61.37 1yre h SER 59 Cb 0.67 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.70 1yre h SER 59 CO -0.47 0.68 -0.96 -0.07 -0.87 0.00 0.00 176.83 175.14 1yre h LEU 60 N 0.21 0.78 -0.23 5.97 3.38 -0.98 -1.56 115.31 122.89 1yre h LEU 60 Ca 0.01 -0.60 0.06 0.00 0.09 0.00 0.00 57.88 57.44 1yre h LEU 60 Cb 0.87 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.31 1yre h LEU 60 CO 0.07 1.40 -0.31 0.00 0.09 0.00 0.00 178.44 179.69 1yre h ALA 61 N 0.56 -0.28 -0.74 1.53 0.00 -0.65 -1.24 119.26 118.44 1yre h ALA 61 Ca -0.10 0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1yre h ALA 61 Cb 1.60 0.62 -0.05 0.00 0.00 0.00 0.00 17.79 19.97 1yre h ALA 61 CO 0.18 -0.76 0.49 0.93 0.00 0.00 0.00 179.25 180.09 1yre h GLU 62 N -0.33 0.78 -0.44 0.00 5.08 -1.24 -1.99 114.58 116.44 1yre h GLU 62 Ca 0.12 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1yre h GLU 62 Cb 0.53 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1yre h GLU 62 CO -0.41 0.52 0.14 0.37 -1.00 0.00 0.00 179.01 178.63 1yre h GLN 63 N 0.81 0.68 -0.74 2.33 4.15 -0.70 0.21 115.11 121.85 1yre h GLN 63 Ca 0.31 -0.14 0.07 0.00 0.77 0.00 0.00 58.65 59.66 1yre h GLN 63 Cb 0.21 -0.10 -0.06 0.00 0.21 0.00 0.00 27.48 27.74 1yre h GLN 63 CO -0.10 0.65 0.42 0.00 -1.93 0.00 0.00 178.83 177.87 1yre h ARG 64 N 0.57 0.73 0.00 1.69 3.08 -0.74 -1.84 114.38 117.86 1yre h ARG 64 Ca 0.14 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1yre h ARG 64 Cb 0.25 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1yre h ARG 64 CO -0.01 0.48 0.00 -1.91 -1.07 0.00 0.00 179.97 177.47 1yre n GLU 65 N -4.75 0.90 -1.73 0.04 4.07 -0.80 -4.89 120.64 113.49 1yre n GLU 65 Ca 0.10 0.00 -0.18 0.00 -0.06 0.00 0.00 57.16 57.03 1yre n GLU 65 Cb 0.20 -1.09 -0.06 0.00 -0.06 0.00 0.00 31.44 30.44 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 0.47 1.19 0.39 8.31 0.00 -0.69 -4.91 105.19 109.95 1yre n GLY 66 Ca 0.04 -0.17 0.07 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.54 1.64 -3.65 1.61 1.74 0.67 -5.00 116.66 111.12 1yre n ARG 67 Ca -0.18 -0.89 -0.11 0.00 -0.77 0.00 0.00 57.85 55.89 1yre n ARG 67 Cb 0.60 -1.23 -0.05 0.00 -1.02 0.00 0.00 32.46 30.76 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 -1.62 -0.92 -0.57 7.54 0.00 -1.16 -3.76 121.76 121.27 1yre s ALA 68 Ca 0.13 0.04 0.04 0.00 0.00 0.00 0.00 51.96 52.18 1yre s ALA 68 Cb 0.12 0.57 0.16 0.00 0.00 0.00 0.00 23.12 23.96 1yre s ALA 68 CO 0.32 -0.58 0.39 -0.51 0.00 0.00 0.00 175.76 175.38 1yre s LEU 69 N -2.54 3.52 0.52 0.00 1.43 0.67 -3.97 118.68 118.30 1yre s LEU 69 Ca 0.00 -3.35 -0.15 0.00 -1.03 0.00 0.00 54.13 49.60 1yre s LEU 69 Cb 0.01 -1.22 -0.07 0.00 0.03 0.00 0.00 46.19 44.94 1yre s LEU 69 CO -0.09 -0.15 0.97 -2.16 0.23 0.00 0.00 176.35 175.15 1yre s PRO 70 N -0.64 3.89 0.01 1.29 0.04 -1.26 -2.14 135.00 136.18 1yre s PRO 70 Ca 0.25 0.88 0.03 0.00 0.04 0.00 0.00 61.00 62.19 1yre s PRO 70 Cb -0.08 -2.16 -0.01 0.00 0.04 0.00 0.00 34.50 32.29 1yre s PRO 70 CO -0.13 -0.29 -0.09 -0.51 0.04 0.00 0.00 177.00 176.03 1yre s LEU 71 N -4.19 2.09 -0.11 -3.56 1.43 0.66 -1.62 118.68 113.37 1yre s LEU 71 Ca 0.58 -0.27 -0.18 0.00 -1.03 0.00 0.00 54.13 53.22 1yre s LEU 71 Cb -0.10 -0.40 -0.04 0.00 0.03 0.00 0.00 46.19 45.68 1yre s LEU 71 CO 0.34 0.03 0.48 0.00 0.23 0.00 0.00 176.35 177.44 1yre s ALA 72 N -0.51 3.48 -0.40 4.21 0.00 0.49 -2.35 121.76 126.68 1yre s ALA 72 Ca 0.01 -0.18 -0.18 0.00 0.00 0.00 0.00 51.96 51.61 1yre s ALA 72 Cb -0.05 -2.65 0.01 0.00 0.00 0.00 0.00 23.12 20.44 1yre s ALA 72 CO 0.00 0.03 0.48 0.08 0.00 0.00 0.00 175.76 176.35 1yre s VAL 73 N 0.52 5.03 -0.10 0.00 1.01 -0.31 -1.84 120.40 124.72 1yre s VAL 73 Ca 0.26 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.17 1yre s VAL 73 Cb -0.15 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 1yre s VAL 73 CO 0.11 -0.38 -0.17 -0.13 0.00 0.00 0.00 175.10 174.53 1yre s ARG 74 N 2.30 3.01 -0.34 2.72 0.52 0.27 -1.04 118.95 126.40 1yre s ARG 74 Ca 0.15 -0.75 -0.00 0.00 -0.52 0.00 0.00 55.73 54.61 1yre s ARG 74 Cb -0.16 -2.45 0.08 0.00 0.52 0.00 0.00 34.95 32.94 1yre s ARG 74 CO 0.14 0.33 0.07 -1.17 0.02 0.00 0.00 175.30 174.69 1yre s LEU 75 N 0.03 4.50 0.00 2.53 2.96 -0.36 -0.09 118.68 128.25 1yre s LEU 75 Ca -0.06 -1.73 0.00 0.00 -0.22 0.00 0.00 54.13 52.12 1yre s LEU 75 Cb -0.15 -1.72 0.00 0.00 0.50 0.00 0.00 46.19 44.83 1yre s LEU 75 CO 0.05 -0.37 0.00 0.61 -1.32 0.00 0.00 176.35 175.31 1yre n GLY 76 N 4.51 2.97 0.23 7.98 0.00 0.07 -2.46 105.19 118.49 1yre n GLY 76 Ca -0.06 -0.21 0.13 0.00 0.00 0.00 0.00 46.02 45.88 1yre n GLY 76 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1yre h VAL 77 N 0.00 0.01 -3.43 1.61 -1.51 -1.94 -3.47 116.25 107.52 1yre h VAL 77 Ca 0.00 -0.89 -0.60 0.00 -1.23 0.00 0.00 66.70 63.99 1yre h VAL 77 Cb 0.00 1.88 -0.11 0.00 -2.13 0.00 0.00 31.29 30.93 1yre h VAL 77 CO 0.00 0.01 -0.21 -1.58 -1.23 0.00 0.00 177.57 174.56 1yre s GLN 78 N -3.33 4.21 -0.11 5.19 2.00 -1.03 -5.04 119.66 121.55 1yre s GLN 78 Ca 0.05 0.22 -0.29 0.00 -2.00 0.00 0.00 55.36 53.34 1yre s GLN 78 Cb 0.06 -3.51 -0.04 0.00 0.80 0.00 0.00 33.01 30.33 1yre s GLN 78 CO 0.64 0.03 1.52 -1.17 -0.50 0.00 0.00 175.29 175.80 1yre s LEU 79 N 1.10 4.23 0.00 3.68 2.96 -1.26 -1.22 118.68 128.17 1yre s LEU 79 Ca 0.20 1.98 0.01 0.00 -0.22 0.00 0.00 54.13 56.10 1yre s LEU 79 Cb -0.15 -3.53 0.02 0.00 0.50 0.00 0.00 46.19 43.03 1yre s LEU 79 CO 0.08 -0.91 0.74 1.33 -1.32 0.00 0.00 176.35 176.27 1yre n VAL 80 N 5.54 0.42 -2.83 1.68 0.24 -0.21 -4.97 118.33 118.21 1yre n VAL 80 Ca 0.16 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 61.75 1yre n VAL 80 Cb 0.44 0.80 0.00 0.00 -1.47 0.00 0.00 33.84 33.61 1yre n VAL 80 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1yre n GLY 81 N -0.14 -0.12 3.38 7.63 0.00 -1.22 -0.55 105.19 114.16 1yre n GLY 81 Ca 0.01 -1.35 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.97 0.06 0.21 2.61 -1.32 -0.72 -1.16 115.64 112.35 1yre s THR 82 Ca 0.00 -0.91 -0.23 0.00 -1.21 0.00 0.00 61.69 59.34 1yre s THR 82 Cb 0.00 -1.49 0.05 0.00 -1.51 0.00 0.00 72.50 69.55 1yre s THR 82 CO 0.00 -0.28 0.89 0.28 -2.21 0.00 0.00 174.62 173.30 1yre s THR 83 N -3.87 0.00 -0.15 5.08 -1.32 -0.99 -2.25 115.64 112.13 1yre s THR 83 Ca 0.09 -0.78 -0.21 0.00 -1.21 0.00 0.00 61.69 59.58 1yre s THR 83 Cb 0.02 -2.15 0.05 0.00 -1.51 0.00 0.00 72.50 68.91 1yre s THR 83 CO -0.06 0.00 0.54 -0.60 -2.21 0.00 0.00 174.62 172.30 1yre s ARG 84 N -3.29 0.73 -0.07 7.08 3.52 -0.77 -0.25 118.95 125.90 1yre s ARG 84 Ca 0.13 0.54 -0.12 0.00 -0.13 0.00 0.00 55.73 56.16 1yre s ARG 84 Cb -0.03 0.35 -0.05 0.00 -1.56 0.00 0.00 34.95 33.66 1yre s ARG 84 CO 0.05 -0.14 0.29 -0.06 -0.81 0.00 0.00 175.30 174.62 1yre s PHE 85 N -0.21 3.64 0.00 5.12 0.40 -0.91 -1.61 117.98 124.40 1yre s PHE 85 Ca -0.04 0.75 0.00 0.00 -0.60 0.00 0.00 56.93 57.04 1yre s PHE 85 Cb -0.03 -2.16 0.00 0.00 0.51 0.00 0.00 43.02 41.33 1yre s PHE 85 CO 0.03 0.62 0.00 0.00 0.70 0.00 0.00 175.22 176.57 1yre n ALA 86 N 2.16 0.00 -4.06 5.36 0.00 -0.41 -0.24 120.51 123.32 1yre n ALA 86 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 52.96 1yre n ALA 86 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 1yre n ALA 86 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1yre n GLU 87 N 0.00 -1.65 -2.00 0.00 -0.58 -1.25 -0.70 120.64 114.46 1yre n GLU 87 Ca 0.00 0.24 -0.41 0.00 -0.42 0.00 0.00 57.16 56.57 1yre n GLU 87 Cb 0.00 -3.77 -0.02 0.00 -0.57 0.00 0.00 31.44 27.08 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 -3.95 2.93 -0.58 -0.32 0.40 -1.26 -3.79 117.98 111.41 1yre s PHE 88 Ca 0.16 1.21 0.04 0.00 -0.60 0.00 0.00 56.93 57.74 1yre s PHE 88 Cb -0.08 -3.82 0.14 0.00 0.51 0.00 0.00 43.02 39.78 1yre s PHE 88 CO 0.94 -2.44 0.34 -0.51 0.70 0.00 0.00 175.22 174.24 1yre s LEU 89 N -1.32 4.49 0.32 -0.37 1.43 -0.20 -4.98 118.68 118.05 1yre s LEU 89 Ca 0.54 -3.27 0.07 0.00 -1.03 0.00 0.00 54.13 50.44 1yre s LEU 89 Cb -0.42 -1.65 0.74 0.00 0.03 0.00 0.00 46.19 44.89 1yre s LEU 89 CO 0.52 -0.19 1.83 -0.65 0.23 0.00 0.00 176.35 178.08 1yre h PRO 90 N 6.18 0.76 0.00 1.29 0.11 -1.95 -2.05 132.00 136.35 1yre h PRO 90 Ca -0.01 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1yre h PRO 90 Cb 0.85 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.79 1yre h PRO 90 CO 0.70 0.50 0.00 0.00 -0.21 0.00 0.00 178.00 178.99 1yre n ALA 91 N -2.38 1.30 -0.07 -0.75 0.00 -1.26 -4.07 120.51 113.28 1yre n ALA 91 Ca 0.20 0.03 -0.05 0.00 0.00 0.00 0.00 53.44 53.62 1yre n ALA 91 Cb 0.49 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.75 1yre n ALA 91 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1yre n LEU 92 N -1.71 1.72 -4.88 0.00 4.77 -0.83 -5.02 117.00 111.04 1yre n LEU 92 Ca 0.01 0.59 -0.29 0.00 -0.03 0.00 0.00 56.01 56.28 1yre n LEU 92 Cb 0.09 -0.84 -0.01 0.00 -2.33 0.00 0.00 43.42 40.32 1yre n LEU 92 CO 0.08 -0.46 0.49 -2.16 -1.33 0.00 0.00 177.39 174.02 1yre s PRO 93 N -2.24 3.68 0.09 3.23 0.04 -1.26 -4.70 135.00 133.84 1yre s PRO 93 Ca -0.15 0.44 -0.10 0.00 0.04 0.00 0.00 61.00 61.23 1yre s PRO 93 Cb 0.02 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1yre s PRO 93 CO 0.23 -0.19 0.21 0.00 0.04 0.00 0.00 177.00 177.29 1yre s ALA 94 N -2.63 -0.31 0.31 8.56 0.00 -0.86 -0.07 121.76 126.75 1yre s ALA 94 Ca 0.51 -0.53 -0.12 0.00 0.00 0.00 0.00 51.96 51.82 1yre s ALA 94 Cb -0.10 0.49 0.02 0.00 0.00 0.00 0.00 23.12 23.52 1yre s ALA 94 CO 0.39 -0.51 0.59 0.00 0.00 0.00 0.00 175.76 176.24 1yre s GLU 96 N -3.29 2.62 -0.13 0.00 2.12 0.12 -1.32 118.70 118.82 1yre s GLU 96 Ca 0.21 -0.76 0.01 0.00 0.36 0.00 0.00 54.97 54.80 1yre s GLU 96 Cb -0.03 -2.57 -0.01 0.00 0.26 0.00 0.00 34.13 31.78 1yre s GLU 96 CO 0.12 0.57 -0.16 0.42 -0.54 0.00 0.00 175.26 175.67 1yre s ILE 97 N -1.20 2.72 -1.46 -3.70 1.01 -0.32 -1.29 121.20 116.94 1yre s ILE 97 Ca 0.23 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 60.10 1yre s ILE 97 Cb -0.12 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.24 1yre s ILE 97 CO 0.15 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.23 1yre n GLY 98 N 3.62 -0.72 4.02 6.18 0.00 -0.64 -4.47 105.19 113.19 1yre n GLY 98 Ca -0.19 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 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 2.64 -1.91 -3.64 1.61 8.01 -1.26 -1.85 117.44 121.03 1yre n TRP 99 Ca 0.00 0.83 -0.36 0.00 -1.31 0.00 0.00 57.50 56.66 1yre n TRP 99 Cb 0.00 -3.58 -0.08 0.00 -2.01 0.00 0.00 31.31 25.64 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 -3.48 5.36 0.03 -0.99 2.01 -1.26 -4.02 115.64 113.28 1yre s THR 100 Ca 0.48 0.34 -0.02 0.00 0.31 0.00 0.00 61.69 62.81 1yre s THR 100 Cb -0.25 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 1yre s THR 100 CO 0.88 0.40 0.00 -1.66 -0.69 0.00 0.00 174.62 173.55 1yre s TRP 101 N 0.52 0.30 0.01 4.92 1.48 -0.95 -5.01 118.94 120.20 1yre s TRP 101 Ca 0.12 -0.64 0.02 0.00 -1.06 0.00 0.00 56.10 54.54 1yre s TRP 101 Cb -0.12 -0.22 -0.01 0.00 -1.16 0.00 0.00 33.47 31.95 1yre s TRP 101 CO 0.01 -0.27 -0.08 -0.51 -4.06 0.00 0.00 176.95 172.04 1yre s LEU 102 N -1.93 2.10 0.28 -4.66 1.43 -1.26 -1.76 118.68 112.88 1yre s LEU 102 Ca -0.08 -0.28 -0.29 0.00 -1.03 0.00 0.00 54.13 52.45 1yre s LEU 102 Cb -0.04 -0.31 -0.13 0.00 0.03 0.00 0.00 46.19 45.74 1yre s LEU 102 CO -0.04 -0.01 1.24 -0.67 0.23 0.00 0.00 176.35 177.11 1yre n ASP 103 N 2.39 2.27 0.13 2.29 2.03 0.28 -4.86 116.55 121.09 1yre n ASP 103 Ca -0.16 1.18 0.12 0.00 0.52 0.00 0.00 54.79 56.44 1yre n ASP 103 Cb 0.57 -1.40 0.49 0.00 -0.72 0.00 0.00 41.12 40.06 1yre n ASP 103 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1yre n GLN 104 N 1.13 0.20 0.11 -0.67 0.00 -1.26 -0.76 117.38 116.13 1yre n GLN 104 Ca 0.09 0.41 0.09 0.00 0.00 0.00 0.00 57.00 57.59 1yre n GLN 104 Cb 0.33 -1.87 0.42 0.00 0.00 0.00 0.00 30.24 29.12 1yre n GLN 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1yre n ALA 105 N -1.78 1.22 0.98 2.61 0.00 -1.26 -2.47 120.51 119.81 1yre n ALA 105 Ca 0.02 0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.69 1yre n ALA 105 Cb 0.24 -1.26 0.01 0.00 0.00 0.00 0.00 19.45 18.44 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 -2.03 1.43 -2.51 0.00 1.13 0.06 -4.86 117.38 110.60 1yre n GLN 106 Ca 0.00 -1.15 -0.42 0.00 -1.94 0.00 0.00 57.00 53.49 1yre n GLN 106 Cb 0.08 -1.46 -0.03 0.00 0.11 0.00 0.00 30.24 28.94 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 -2.35 3.53 0.00 1.08 3.76 -1.03 -2.38 115.29 117.90 1yre s HIS 107 Ca 0.20 1.46 0.00 0.00 -0.15 0.00 0.00 55.06 56.57 1yre s HIS 107 Cb 0.18 -3.32 0.00 0.00 1.11 0.00 0.00 32.58 30.55 1yre s HIS 107 CO 0.51 -0.83 0.00 0.41 -0.85 0.00 0.00 174.74 173.98 1yre n GLY 108 N 2.89 1.50 0.10 -2.22 0.00 -1.26 -4.92 105.19 101.27 1yre n GLY 108 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 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 0.71 0.00 1.61 3.41 -1.00 -4.93 113.62 113.43 1yre n SER 109 Ca 0.00 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 1yre n SER 109 Cb 0.00 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.18 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 1.14 1.52 0.17 5.00 0.00 -1.26 -4.95 105.19 106.81 1yre n GLY 110 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.39 -0.42 0.99 5.85 -1.92 -1.05 115.31 118.37 1yre h LEU 111 Ca 0.00 0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.87 1yre h LEU 111 Cb 0.00 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1yre h LEU 111 CO 0.00 -0.14 0.16 -1.13 -0.34 0.00 0.00 178.44 176.99 1yre h ASN 112 N -0.05 0.19 -0.59 1.25 -1.24 -1.92 -1.16 115.58 112.06 1yre h ASN 112 Ca 0.15 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.21 1yre h ASN 112 Cb 0.29 0.02 -0.03 0.00 0.73 0.00 0.00 38.32 39.32 1yre h ASN 112 CO -0.34 0.15 0.39 0.03 -1.29 0.00 0.00 177.43 176.36 1yre h ARG 113 N 0.34 0.78 -0.23 6.67 3.08 -1.91 -0.78 114.38 122.33 1yre h ARG 113 Ca 0.19 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1yre h ARG 113 Cb 0.16 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1yre h ARG 113 CO -0.18 0.52 0.09 1.98 -1.07 0.00 0.00 179.97 181.31 1yre h MET 114 N 0.80 0.35 -0.01 0.04 4.05 -0.79 0.11 114.93 119.48 1yre h MET 114 Ca 0.22 -0.06 0.03 0.00 -0.28 0.00 0.00 59.70 59.60 1yre h MET 114 Cb -0.08 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 30.62 1yre h MET 114 CO -0.05 0.40 -0.25 0.82 0.23 0.00 0.00 176.91 178.07 1yre h ILE 115 N 0.22 0.43 -0.64 1.77 2.04 -1.01 0.43 117.51 120.75 1yre h ILE 115 Ca 0.08 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.97 1yre h ILE 115 Cb 0.18 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 1yre h ILE 115 CO -0.01 0.00 0.42 0.11 0.00 0.00 0.00 178.15 178.68 1yre h LYS 116 N -0.38 0.75 -0.35 2.37 1.79 -0.98 0.46 116.57 120.24 1yre h LYS 116 Ca 0.06 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.44 1yre h LYS 116 Cb 0.47 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 1yre h LYS 116 CO -0.23 0.50 0.02 -0.92 -1.08 0.00 0.00 179.45 177.74 1yre h TYR 117 N 0.78 0.64 -0.57 -1.35 3.20 0.01 -0.25 116.97 119.43 1yre h TYR 117 Ca 0.25 -0.10 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 1yre h TYR 117 Cb 0.05 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 1yre h TYR 117 CO -0.00 0.69 0.10 -0.07 -1.64 0.00 0.00 178.16 177.24 1yre h LEU 118 N 0.41 0.85 -0.16 2.82 3.38 -0.15 -1.82 115.31 120.65 1yre h LEU 118 Ca 0.10 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 1yre h LEU 118 Cb 0.42 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1yre h LEU 118 CO 0.01 0.85 -0.48 0.24 0.09 0.00 0.00 178.44 179.16 1yre h MET 119 N 0.85 0.60 -0.47 1.13 2.86 -0.70 -1.97 114.93 117.23 1yre h MET 119 Ca 0.18 -0.44 -0.11 0.00 -2.06 0.00 0.00 59.70 57.27 1yre h MET 119 Cb 0.37 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 1yre h MET 119 CO 0.01 1.06 -0.15 -0.07 1.06 0.00 0.00 176.91 178.81 1yre h LEU 120 N 0.25 0.91 -0.46 1.22 3.38 -1.01 0.02 115.31 119.62 1yre h LEU 120 Ca -0.02 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 1yre h LEU 120 Cb 1.10 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1yre h LEU 120 CO 0.10 1.06 0.18 0.50 0.09 0.00 0.00 178.44 180.37 1yre h LYS 121 N 0.80 0.70 -0.13 1.13 3.64 -1.30 0.54 116.57 121.95 1yre h LYS 121 Ca 0.12 -0.13 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1yre h LYS 121 Cb 0.69 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1yre h LYS 121 CO 0.05 0.64 0.06 1.25 -2.27 0.00 0.00 179.45 179.17 1yre h HIS 122 N 0.61 0.11 -0.28 1.91 2.76 -1.14 0.13 115.15 119.25 1yre h HIS 122 Ca 0.15 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.38 1yre h HIS 122 Cb 0.20 -0.03 -0.04 0.00 1.55 0.00 0.00 27.41 29.09 1yre h HIS 122 CO 0.00 0.06 -0.00 0.00 -1.30 0.00 0.00 177.93 176.69 1yre h ALA 123 N 1.07 0.24 0.03 5.26 0.00 -0.39 0.15 119.26 125.63 1yre h ALA 123 Ca 0.05 0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.84 1yre h ALA 123 Cb 0.02 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1yre h ALA 123 CO -0.05 -0.41 -1.08 0.74 0.00 0.00 0.00 179.25 178.45 1yre h PHE 124 N 0.08 0.13 0.14 0.00 0.04 -0.96 0.81 116.94 117.19 1yre h PHE 124 Ca 0.13 -0.09 -0.28 0.00 2.80 0.00 0.00 57.97 60.52 1yre h PHE 124 Cb 0.17 -0.01 0.01 0.00 2.20 0.00 0.00 35.95 38.33 1yre h PHE 124 CO -0.21 1.42 -1.26 -0.44 -0.60 0.00 0.00 178.31 177.22 1yre h ASP 125 N -0.78 0.57 0.00 2.17 3.32 -0.86 -3.16 116.42 117.68 1yre h ASP 125 Ca -0.27 -0.58 -0.42 0.00 0.02 0.00 0.00 57.03 55.77 1yre h ASP 125 Cb 1.39 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 40.69 1yre h ASP 125 CO -0.09 1.44 -2.33 0.59 -1.72 0.00 0.00 179.24 177.13 1yre n ASN 126 N -3.62 1.94 0.18 6.45 5.03 -1.02 -4.66 115.26 119.56 1yre n ASN 126 Ca -0.11 0.34 0.11 0.00 0.87 0.00 0.00 54.58 55.80 1yre n ASN 126 Cb 1.02 -0.83 0.12 0.00 -1.02 0.00 0.00 39.78 39.06 1yre n ASN 126 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1yre h LEU 127 N -0.96 0.00 0.00 3.41 3.38 -0.90 -3.48 115.31 116.76 1yre h LEU 127 Ca -0.64 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1yre h LEU 127 Cb 1.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.33 1yre h LEU 127 CO -0.38 0.03 0.00 0.54 0.09 0.00 0.00 178.44 178.72 1yre n ARG 128 N -2.99 0.00 -1.57 1.13 3.00 -0.08 -4.92 116.66 111.23 1yre n ARG 128 Ca 0.03 0.47 -0.41 0.00 -0.01 0.00 0.00 57.85 57.93 1yre n ARG 128 Cb 0.55 -3.80 0.01 0.00 0.00 0.00 0.00 32.46 29.23 1yre n ARG 128 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 1yre n MET 129 N -2.95 1.08 0.02 5.56 2.81 0.08 -4.54 117.12 119.19 1yre n MET 129 Ca 0.00 0.39 0.11 0.00 -1.81 0.00 0.00 57.70 56.39 1yre n MET 129 Cb 0.00 -1.91 -0.11 0.00 -0.71 0.00 0.00 33.22 30.49 1yre n MET 129 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 1yre n VAL 130 N -0.73 0.19 -3.74 2.03 3.14 0.89 -4.53 118.33 115.58 1yre n VAL 130 Ca 0.10 -0.49 -0.13 0.00 -2.96 0.00 0.00 64.34 60.87 1yre n VAL 130 Cb 0.40 -0.06 -0.11 0.00 -1.06 0.00 0.00 33.84 33.01 1yre n VAL 130 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 1yre s ARG 131 N -3.45 0.40 -0.11 1.45 3.52 -1.24 -1.15 118.95 118.37 1yre s ARG 131 Ca -0.05 0.53 0.01 0.00 -0.13 0.00 0.00 55.73 56.09 1yre s ARG 131 Cb 0.13 0.15 0.02 0.00 -1.56 0.00 0.00 34.95 33.69 1yre s ARG 131 CO 0.87 -0.07 -0.13 0.08 -0.81 0.00 0.00 175.30 175.24 1yre s VAL 132 N 0.41 1.35 0.08 7.11 1.01 0.86 -2.87 120.40 128.35 1yre s VAL 132 Ca -0.02 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.35 1yre s VAL 132 Cb -0.04 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 1yre s VAL 132 CO -0.02 0.41 0.36 -1.58 0.00 0.00 0.00 175.10 174.27 1yre s GLN 133 N 1.15 3.67 0.05 2.72 0.74 -0.44 -0.56 119.66 126.99 1yre s GLN 133 Ca -0.04 0.03 0.04 0.00 0.05 0.00 0.00 55.36 55.44 1yre s GLN 133 Cb -0.14 -2.98 -0.02 0.00 1.10 0.00 0.00 33.01 30.97 1yre s GLN 133 CO -0.03 0.56 -0.11 -0.51 -0.55 0.00 0.00 175.29 174.65 1yre s LEU 134 N -2.08 2.24 0.02 3.68 1.43 -1.08 -1.18 118.68 121.71 1yre s LEU 134 Ca 0.34 -0.53 -0.12 0.00 -1.03 0.00 0.00 54.13 52.79 1yre s LEU 134 Cb -0.13 -0.36 0.01 0.00 0.03 0.00 0.00 46.19 45.74 1yre s LEU 134 CO 0.19 -0.11 0.25 -0.44 0.23 0.00 0.00 176.35 176.48 1yre s SER 135 N -1.48 -0.08 0.22 2.29 0.01 -1.26 -1.52 113.70 111.88 1yre s SER 135 Ca -0.05 -0.16 -0.22 0.00 1.31 0.00 0.00 55.95 56.84 1yre s SER 135 Cb -0.09 0.30 0.04 0.00 0.21 0.00 0.00 66.02 66.48 1yre s SER 135 CO 0.01 -0.51 0.69 0.28 0.41 0.00 0.00 173.24 174.11 1yre s THR 136 N -2.02 0.00 0.33 1.44 -1.32 -0.86 -4.94 115.64 108.28 1yre s THR 136 Ca -0.09 -0.59 -0.29 0.00 -1.21 0.00 0.00 61.69 59.51 1yre s THR 136 Cb -0.03 -1.60 -0.10 0.00 -1.51 0.00 0.00 72.50 69.25 1yre s THR 136 CO -0.00 0.00 1.37 0.00 -2.21 0.00 0.00 174.62 173.77 1yre s ALA 137 N -3.82 3.54 0.45 11.08 0.00 -1.26 -0.57 121.76 131.17 1yre s ALA 137 Ca 0.07 1.34 0.28 0.00 0.00 0.00 0.00 51.96 53.65 1yre s ALA 137 Cb -0.04 -3.52 1.33 0.00 0.00 0.00 0.00 23.12 20.89 1yre s ALA 137 CO -0.01 -0.75 1.72 0.00 0.00 0.00 0.00 175.76 176.72 1yre h ALA 138 N 3.55 2.66 0.00 0.00 0.00 -1.13 -0.67 119.26 123.67 1yre h ALA 138 Ca -0.49 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1yre h ALA 138 Cb 1.23 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1yre h ALA 138 CO 0.67 -1.13 0.00 0.77 0.00 0.00 0.00 179.25 179.56 1yre h SER 139 N 0.20 0.00 -1.66 0.00 0.02 -1.91 -3.42 113.55 106.78 1yre h SER 139 Ca 0.68 0.00 -0.72 0.00 -0.84 0.00 0.00 61.79 60.90 1yre h SER 139 Cb 2.11 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 64.51 1yre h SER 139 CO -0.26 0.00 1.72 -3.20 -1.14 0.00 0.00 176.83 173.96 1yre n ASN 140 N -2.52 5.08 0.06 3.07 2.85 -0.26 -4.84 115.26 118.70 1yre n ASN 140 Ca 0.05 -2.97 -0.02 0.00 -0.11 0.00 0.00 54.58 51.53 1yre n ASN 140 Cb 0.45 -1.61 0.25 0.00 1.24 0.00 0.00 39.78 40.11 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 10.20 0.37 0.01 1.20 3.38 -1.84 -2.54 115.31 126.09 1yre h LEU 141 Ca 0.37 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 1yre h LEU 141 Cb 0.83 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1yre h LEU 141 CO 1.37 0.63 -0.01 -0.09 0.09 0.00 0.00 178.44 180.43 1yre h ARG 142 N 0.33 -0.02 -0.09 1.13 2.43 -1.98 -1.84 114.38 114.35 1yre h ARG 142 Ca 0.05 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1yre h ARG 142 Cb 0.63 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1yre h ARG 142 CO 0.05 0.08 -0.14 0.00 -1.51 0.00 0.00 179.97 178.44 1yre h ALA 143 N 0.87 1.60 0.44 2.80 0.00 -1.94 -1.77 119.26 121.27 1yre h ALA 143 Ca -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1yre h ALA 143 Cb 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1yre h ALA 143 CO 0.00 0.29 -0.21 1.96 0.00 0.00 0.00 179.25 181.29 1yre h GLN 144 N 0.13 -0.57 -0.89 0.00 4.20 -1.30 0.15 115.11 116.83 1yre h GLN 144 Ca 0.03 0.04 0.23 0.00 0.06 0.00 0.00 58.65 59.00 1yre h GLN 144 Cb 0.34 0.13 -0.13 0.00 0.30 0.00 0.00 27.48 28.11 1yre h GLN 144 CO 0.02 -0.29 0.35 0.78 -0.67 0.00 0.00 178.83 179.03 1yre h GLY 145 N -0.78 1.50 1.43 3.46 0.00 -1.21 0.13 103.07 107.59 1yre h GLY 145 Ca -0.06 -0.13 -0.14 0.00 0.00 0.00 0.00 47.33 47.00 1yre h GLY 145 CO 0.10 -0.30 -0.44 0.00 0.00 0.00 0.00 176.54 175.89 1yre h ALA 146 N 1.73 0.76 -0.32 3.60 0.00 -0.85 -1.84 119.26 122.35 1yre h ALA 146 Ca 0.56 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1yre h ALA 146 Cb 1.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1yre h ALA 146 CO -0.56 0.66 -0.05 0.82 0.00 0.00 0.00 179.25 180.12 1yre h ILE 147 N 0.50 1.27 -0.29 0.00 2.04 0.63 -2.95 117.51 118.71 1yre h ILE 147 Ca 0.03 -1.06 0.07 0.00 1.00 0.00 0.00 64.86 64.90 1yre h ILE 147 Cb 0.97 1.31 -0.08 0.00 -0.74 0.00 0.00 36.82 38.29 1yre h ILE 147 CO 0.09 0.35 -0.24 0.44 0.00 0.00 0.00 178.15 178.79 1yre h ASP 148 N 0.38 -0.78 -0.81 1.72 3.32 -0.65 -1.74 116.42 117.87 1yre h ASP 148 Ca 0.09 0.15 0.18 0.00 0.02 0.00 0.00 57.03 57.46 1yre h ASP 148 Cb 0.52 0.38 -0.05 0.00 0.22 0.00 0.00 39.33 40.40 1yre h ASP 148 CO 0.03 -0.27 0.55 0.11 -1.72 0.00 0.00 179.24 177.93 1yre h LYS 149 N -0.22 0.36 0.00 3.56 1.57 -1.33 0.56 116.57 121.07 1yre h LYS 149 Ca 0.15 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1yre h LYS 149 Cb 0.46 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1yre h LYS 149 CO -0.42 0.24 0.00 -0.07 -0.57 0.00 0.00 179.45 178.63 1yre h LEU 150 N 0.37 0.00 0.00 2.94 3.38 -1.14 -3.47 115.31 117.39 1yre h LEU 150 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1yre h LEU 150 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1yre h LEU 150 CO -0.13 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.01 1yre n GLY 151 N -0.68 0.52 3.77 0.83 0.00 0.19 -4.92 105.19 104.90 1yre n GLY 151 Ca -0.02 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 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 3.24 -0.13 4.61 0.00 -1.23 -4.95 121.76 121.31 1yre s ALA 152 Ca 0.00 0.79 -0.09 0.00 0.00 0.00 0.00 51.96 52.66 1yre s ALA 152 Cb 0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1yre s ALA 152 CO 0.00 -0.17 0.18 -0.65 0.00 0.00 0.00 175.76 175.12 1yre s GLN 153 N -1.95 3.73 0.16 0.00 -1.52 -0.88 -4.72 119.66 114.48 1yre s GLN 153 Ca 0.51 -0.07 -0.31 0.00 -1.95 0.00 0.00 55.36 53.54 1yre s GLN 153 Cb -0.27 -3.26 -0.09 0.00 -0.22 0.00 0.00 33.01 29.17 1yre s GLN 153 CO 0.34 0.62 1.37 0.50 -0.25 0.00 0.00 175.29 177.87 1yre s ARG 154 N -0.60 4.34 -0.04 2.91 3.52 -1.26 -1.48 118.95 126.33 1yre s ARG 154 Ca 0.14 2.10 0.10 0.00 -0.13 0.00 0.00 55.73 57.95 1yre s ARG 154 Cb -0.12 -3.21 -0.15 0.00 -1.56 0.00 0.00 34.95 29.90 1yre s ARG 154 CO 0.04 -0.37 0.17 0.39 -0.81 0.00 0.00 175.30 174.72 1yre n GLU 155 N 3.26 0.97 -3.60 5.12 1.02 0.32 -4.92 120.64 122.80 1yre n GLU 155 Ca 0.09 -0.07 -0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1yre n GLU 155 Cb 0.42 -1.26 -0.01 0.00 -0.02 0.00 0.00 31.44 30.57 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 -3.56 -0.35 -0.21 0.62 0.00 -1.01 -5.00 107.32 97.80 1yre s GLY 156 Ca -0.04 1.30 0.02 0.00 0.00 0.00 0.00 44.72 45.99 1yre s GLY 156 CO 0.44 0.37 -0.14 0.14 0.00 0.00 0.00 173.10 173.91 1yre s VAL 157 N -2.22 1.98 -0.30 1.40 1.01 -1.26 -1.54 120.40 119.47 1yre s VAL 157 Ca 0.13 -1.21 -0.12 0.00 0.00 0.00 0.00 61.98 60.77 1yre s VAL 157 Cb 0.03 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 1yre s VAL 157 CO -0.04 0.23 0.23 -0.76 0.00 0.00 0.00 175.10 174.75 1yre s LEU 158 N 1.25 4.16 0.35 3.92 1.43 0.52 -4.93 118.68 125.37 1yre s LEU 158 Ca -0.02 -0.09 -0.25 0.00 -1.03 0.00 0.00 54.13 52.74 1yre s LEU 158 Cb -0.16 -2.16 -0.10 0.00 0.03 0.00 0.00 46.19 43.79 1yre s LEU 158 CO -0.09 -0.12 0.97 -0.13 0.23 0.00 0.00 176.35 177.22 1yre s ARG 159 N 1.79 4.47 -1.42 1.70 0.52 -1.26 -0.81 118.95 123.94 1yre s ARG 159 Ca 0.08 1.37 -0.05 0.00 -0.52 0.00 0.00 55.73 56.61 1yre s ARG 159 Cb -0.16 -2.72 0.03 0.00 0.52 0.00 0.00 34.95 32.62 1yre s ARG 159 CO 0.11 0.17 0.68 0.09 0.02 0.00 0.00 175.30 176.37 1yre n ASN 160 N 0.36 -1.85 -0.00 0.23 4.13 -1.24 -4.84 115.26 112.05 1yre n ASN 160 Ca 0.03 -0.88 0.04 0.00 1.68 0.00 0.00 54.58 55.45 1yre n ASN 160 Cb 0.50 -3.61 -0.06 0.00 -1.54 0.00 0.00 39.78 35.07 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 -4.41 0.00 -3.90 3.10 -0.00 -0.69 -4.96 115.22 104.36 1yre n HIS 161 Ca -0.20 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 57.88 1yre n HIS 161 Cb 0.63 -0.08 -0.06 0.00 -0.12 0.00 0.00 29.99 30.36 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 -2.12 1.20 0.05 1.57 1.70 -0.85 -4.94 118.95 115.56 1yre s ARG 162 Ca 0.01 -1.09 0.05 0.00 -0.47 0.00 0.00 55.73 54.23 1yre s ARG 162 Cb 0.06 0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 34.82 1yre s ARG 162 CO 0.36 -0.46 -0.09 1.03 -1.08 0.00 0.00 175.30 175.06 1yre s ARG 163 N -3.94 2.33 0.71 3.89 0.52 -1.26 -0.69 118.95 120.51 1yre s ARG 163 Ca 0.15 -0.88 -0.07 0.00 -0.52 0.00 0.00 55.73 54.42 1yre s ARG 163 Cb 0.02 -2.39 0.07 0.00 0.52 0.00 0.00 34.95 33.18 1yre s ARG 163 CO -0.01 0.56 1.02 -0.51 0.02 0.00 0.00 175.30 176.38 1yre s LEU 164 N -1.76 2.83 0.31 2.53 1.43 0.31 -3.83 118.68 120.49 1yre s LEU 164 Ca 0.19 0.41 0.04 0.00 -1.03 0.00 0.00 54.13 53.73 1yre s LEU 164 Cb -0.11 -3.03 0.64 0.00 0.03 0.00 0.00 46.19 43.72 1yre s LEU 164 CO 0.10 -1.64 1.85 0.00 0.23 0.00 0.00 176.35 176.89 1yre h ALA 165 N -0.62 1.62 -0.11 4.21 0.00 -1.10 0.58 119.26 123.84 1yre h ALA 165 Ca -0.44 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1yre h ALA 165 Cb 1.31 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1yre h ALA 165 CO 0.58 0.14 0.00 0.41 0.00 0.00 0.00 179.25 180.38 1yre n GLY 166 N -1.38 -0.33 0.51 0.00 0.00 -1.26 -4.91 105.19 97.82 1yre n GLY 166 Ca 0.18 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1yre n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yre n GLY 167 N 0.88 1.10 3.73 -0.02 0.00 0.20 -5.07 105.19 106.01 1yre n GLY 167 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1yre n GLY 167 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1yre n ARG 168 N -2.00 2.46 -2.56 1.61 0.63 -1.26 -4.62 116.66 110.91 1yre n ARG 168 Ca 0.00 0.87 -0.39 0.00 -0.92 0.00 0.00 57.85 57.41 1yre n ARG 168 Cb 0.00 -2.58 -0.05 0.00 0.45 0.00 0.00 32.46 30.28 1yre n ARG 168 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1yre s LEU 169 N -0.76 4.43 0.14 6.15 2.96 -1.26 -0.53 118.68 129.81 1yre s LEU 169 Ca 0.61 2.12 -0.08 0.00 -0.22 0.00 0.00 54.13 56.56 1yre s LEU 169 Cb -0.54 -3.82 -0.01 0.00 0.50 0.00 0.00 46.19 42.33 1yre s LEU 169 CO 0.54 -0.19 0.23 -0.62 -1.32 0.00 0.00 176.35 175.00 1yre s ASP 170 N -1.19 0.09 0.57 3.68 2.15 0.13 -4.90 116.67 117.20 1yre s ASP 170 Ca 0.48 -0.84 -0.06 0.00 0.43 0.00 0.00 52.55 52.57 1yre s ASP 170 Cb -0.27 0.39 0.00 0.00 -0.30 0.00 0.00 42.92 42.74 1yre s ASP 170 CO 0.34 -0.83 0.88 -1.81 -0.17 0.00 0.00 175.17 173.58 1yre s ASP 171 N -2.94 5.72 -0.07 -0.34 1.01 -1.26 -1.70 116.67 117.08 1yre s ASP 171 Ca 0.14 0.75 0.03 0.00 0.71 0.00 0.00 52.55 54.18 1yre s ASP 171 Cb 0.04 -1.80 -0.02 0.00 1.01 0.00 0.00 42.92 42.15 1yre s ASP 171 CO -0.03 -0.97 -0.15 -0.89 0.21 0.00 0.00 175.17 173.33 1yre s THR 172 N -2.94 2.95 -0.22 -1.27 2.01 0.01 -0.54 115.64 115.63 1yre s THR 172 Ca 0.53 -0.74 -0.16 0.00 0.31 0.00 0.00 61.69 61.62 1yre s THR 172 Cb -0.10 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 1yre s THR 172 CO 0.45 0.57 0.43 -0.36 -0.69 0.00 0.00 174.62 175.02 1yre s PHE 173 N -0.37 3.34 -0.08 4.92 0.40 0.26 -0.36 117.98 126.09 1yre s PHE 173 Ca 0.04 0.60 -0.01 0.00 -0.60 0.00 0.00 56.93 56.96 1yre s PHE 173 Cb -0.12 -2.58 -0.03 0.00 0.51 0.00 0.00 43.02 40.80 1yre s PHE 173 CO 0.02 -0.10 -0.03 0.08 0.70 0.00 0.00 175.22 175.90 1yre s VAL 174 N 1.62 4.05 0.23 -0.44 1.01 -0.59 -2.03 120.40 124.25 1yre s VAL 174 Ca 0.19 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1yre s VAL 174 Cb -0.15 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 1yre s VAL 174 CO 0.09 0.59 0.13 -0.31 0.00 0.00 0.00 175.10 175.60 1yre s TYR 175 N -0.76 1.33 0.20 5.22 2.02 -0.58 0.12 117.35 124.91 1yre s TYR 175 Ca 0.12 -1.35 -0.22 0.00 -0.37 0.00 0.00 57.07 55.25 1yre s TYR 175 Cb -0.11 -0.68 0.05 0.00 -0.40 0.00 0.00 41.96 40.81 1yre s TYR 175 CO 0.02 -0.57 0.63 -1.54 -1.57 0.00 0.00 175.55 172.52 1yre s SER 176 N -3.23 -0.44 -0.07 2.29 1.04 -0.55 -2.62 113.70 110.12 1yre s SER 176 Ca 0.39 -0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.61 1yre s SER 176 Cb 0.07 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.83 1yre s SER 176 CO 0.14 -1.10 -0.17 -0.63 0.98 0.00 0.00 173.24 172.46 1yre s ILE 177 N -3.82 1.49 0.34 -1.02 1.01 0.27 -2.07 121.20 117.40 1yre s ILE 177 Ca 0.05 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 60.02 1yre s ILE 177 Cb -0.03 -1.31 -0.02 0.00 0.01 0.00 0.00 42.46 41.11 1yre s ILE 177 CO -0.06 0.43 0.51 0.42 0.00 0.00 0.00 174.94 176.24 1yre s THR 178 N 0.34 4.77 0.45 2.92 -4.23 -1.26 -0.10 115.64 118.52 1yre s THR 178 Ca -0.12 -0.70 0.14 0.00 -1.18 0.00 0.00 61.69 59.83 1yre s THR 178 Cb -0.15 -3.71 0.32 0.00 1.34 0.00 0.00 72.50 70.29 1yre s THR 178 CO 0.04 -0.39 2.01 -2.24 -0.54 0.00 0.00 174.62 173.51 1yre h ASP 179 N 0.82 0.32 0.53 3.99 2.03 -1.37 -0.16 116.42 122.58 1yre h ASP 179 Ca -0.49 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 55.75 1yre h ASP 179 Cb 1.23 -0.07 -0.01 0.00 -0.83 0.00 0.00 39.33 39.66 1yre h ASP 179 CO 0.59 0.21 -0.29 0.45 -1.03 0.00 0.00 179.24 179.16 1yre h HIS 180 N 0.36 0.00 0.00 4.15 3.86 -1.95 -3.05 115.15 118.53 1yre h HIS 180 Ca 0.22 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 1yre h HIS 180 Cb 0.41 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.88 1yre h HIS 180 CO -0.00 0.29 -0.69 0.93 0.86 0.00 0.00 177.93 179.32 1yre h GLU 181 N 0.00 0.00 -0.30 2.45 5.08 -1.43 -3.41 114.58 116.97 1yre h GLU 181 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1yre h GLU 181 Cb 0.64 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1yre h GLU 181 CO 0.04 0.00 0.13 2.35 -1.00 0.00 0.00 179.01 180.53 1yre h TRP 182 N 0.00 0.44 -0.88 4.33 2.91 -1.31 -2.20 115.95 119.25 1yre h TRP 182 Ca 0.00 -0.03 0.22 0.00 1.13 0.00 0.00 58.89 60.21 1yre h TRP 182 Cb 0.94 -0.14 -0.16 0.00 -0.51 0.00 0.00 29.16 29.30 1yre h TRP 182 CO 0.00 0.42 0.01 -1.35 -1.03 0.00 0.00 178.44 176.49 1yre h PRO 183 N 0.34 0.06 -0.01 2.65 0.11 -1.79 0.40 132.00 133.76 1yre h PRO 183 Ca 0.10 -0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.04 1yre h PRO 183 Cb 0.16 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 1yre h PRO 183 CO -0.01 0.04 -0.74 1.96 -0.21 0.00 0.00 178.00 179.04 1yre h GLN 184 N 0.07 0.11 0.46 1.05 4.20 -1.78 -0.83 115.11 118.39 1yre h GLN 184 Ca 0.50 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 59.09 1yre h GLN 184 Cb 0.96 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.77 1yre h GLN 184 CO -0.80 0.80 -0.22 0.28 -0.67 0.00 0.00 178.83 178.22 1yre h VAL 185 N 0.07 0.51 -0.16 -0.54 2.07 -0.59 -1.01 116.25 116.61 1yre h VAL 185 Ca -0.02 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.18 1yre h VAL 185 Cb 1.31 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 1yre h VAL 185 CO 0.11 0.06 -0.19 0.50 0.02 0.00 0.00 177.57 178.06 1yre h LYS 186 N -0.82 -0.12 -0.98 1.57 3.64 -0.26 -1.42 116.57 118.18 1yre h LYS 186 Ca -0.06 0.01 0.25 0.00 -1.27 0.00 0.00 60.65 59.57 1yre h LYS 186 Cb 0.56 0.03 -0.18 0.00 -0.41 0.00 0.00 32.23 32.22 1yre h LYS 186 CO 0.10 -0.08 -0.06 0.00 -2.27 0.00 0.00 179.45 177.14 1yre n ALA 187 N -2.86 0.42 -0.13 5.00 0.00 -0.32 -1.19 120.51 121.43 1yre n ALA 187 Ca -0.01 1.06 -0.13 0.00 0.00 0.00 0.00 53.44 54.37 1yre n ALA 187 Cb 0.11 -0.73 -0.01 0.00 0.00 0.00 0.00 19.45 18.82 1yre n ALA 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yre h ALA 188 N 1.97 0.61 -0.10 0.00 0.00 -0.61 -2.69 119.26 118.44 1yre h ALA 188 Ca 0.56 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1yre h ALA 188 Cb 1.07 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1yre h ALA 188 CO -0.95 0.68 -0.02 -0.07 0.00 0.00 0.00 179.25 178.89 1yre h LEU 189 N 0.80 0.18 -2.25 0.00 3.38 -0.18 -2.84 115.31 114.41 1yre h LEU 189 Ca 0.08 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.71 1yre h LEU 189 Cb 0.92 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 1yre h LEU 189 CO 0.09 0.49 0.05 -0.33 0.09 0.00 0.00 178.44 178.83 1yre h GLU 190 N -0.13 0.00 0.00 1.13 5.08 -1.12 -1.73 114.58 117.82 1yre h GLU 190 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1yre h GLU 190 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1yre h GLU 190 CO 0.01 0.00 -0.88 0.00 -1.00 0.00 0.00 179.01 177.13 1yre n ALA 191 N -2.42 3.07 1.82 3.43 0.00 -1.02 -2.87 120.51 122.53 1yre n ALA 191 Ca -0.02 -0.32 0.09 0.00 0.00 0.00 0.00 53.44 53.19 1yre n ALA 191 Cb 0.15 -1.07 0.47 0.00 0.00 0.00 0.00 19.45 19.00 1yre n ALA 191 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1yre n SER 192 N -2.13 0.37 -0.27 0.00 3.41 -0.65 -5.10 113.62 109.25 1yre n SER 192 Ca 0.02 -1.53 0.03 0.00 -0.26 0.00 0.00 58.87 57.14 1yre n SER 192 Cb 0.46 -0.03 0.03 0.00 -0.26 0.00 0.00 64.21 64.41 1yre n SER 192 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37