#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qay h SER 5 N 0.00 0.00 -2.74 1.67 4.64 -1.90 -3.46 113.55 111.77 1qay h SER 5 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 1qay h SER 5 Cb 0.00 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.14 1qay h SER 5 CO 0.00 0.17 0.95 -0.13 -0.87 0.00 0.00 176.83 176.96 1qay s ARG 6 N -3.13 4.17 -0.48 4.77 0.52 -1.26 -2.52 118.95 121.03 1qay s ARG 6 Ca 0.06 2.47 0.03 0.00 -0.52 0.00 0.00 55.73 57.76 1qay s ARG 6 Cb 0.06 -3.18 0.14 0.00 0.52 0.00 0.00 34.95 32.49 1qay s ARG 6 CO 0.70 -0.69 0.27 -0.51 0.02 0.00 0.00 175.30 175.10 1qay s LEU 7 N 1.34 3.11 0.20 2.53 1.43 -1.26 -4.95 118.68 121.08 1qay s LEU 7 Ca 0.73 -2.83 -0.33 0.00 -1.03 0.00 0.00 54.13 50.68 1qay s LEU 7 Cb -0.46 -1.17 -0.13 0.00 0.03 0.00 0.00 46.19 44.46 1qay s LEU 7 CO 0.32 -0.24 1.60 -2.65 0.23 0.00 0.00 176.35 175.61 1qay n PRO 8 N 3.29 2.37 -2.54 1.29 -0.02 -1.26 -2.26 135.00 135.87 1qay n PRO 8 Ca 0.10 0.85 -0.13 0.00 -2.02 0.00 0.00 63.50 62.30 1qay n PRO 8 Cb 0.35 -2.63 -0.00 0.00 -0.02 0.00 0.00 33.50 31.19 1qay n PRO 8 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qay n ALA 9 N 3.27 -0.81 -0.18 3.55 0.00 -1.26 -4.85 120.51 120.24 1qay n ALA 9 Ca 0.15 0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.59 1qay n ALA 9 Cb 0.32 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.11 1qay n ALA 9 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1qay h PHE 10 N -0.12 1.04 0.00 0.00 3.57 -1.84 -1.14 116.94 118.45 1qay h PHE 10 Ca -0.31 -0.20 -0.03 0.00 3.53 0.00 0.00 57.97 60.96 1qay h PHE 10 Cb 1.22 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.70 1qay h PHE 10 CO 0.70 0.98 -0.13 0.07 -2.23 0.00 0.00 178.31 177.70 1qay h ARG 11 N 0.80 0.00 0.00 1.11 0.11 -1.89 -2.23 114.38 112.29 1qay h ARG 11 Ca 0.14 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.11 1qay h ARG 11 Cb 0.61 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.67 1qay h ARG 11 CO 0.04 0.13 -1.11 -0.91 0.10 0.00 0.00 179.97 178.22 1qay h ASN 12 N 0.00 0.00 -4.13 0.08 2.35 -1.84 -3.47 115.58 108.56 1qay h ASN 12 Ca -0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.21 1qay h ASN 12 Cb 0.36 0.00 0.13 0.00 0.05 0.00 0.00 38.32 38.87 1qay h ASN 12 CO 0.02 0.38 0.45 -0.76 -1.65 0.00 0.00 177.43 175.86 1qay s LEU 13 N -5.77 3.52 0.53 1.61 1.02 -0.47 -5.01 118.68 114.11 1qay s LEU 13 Ca -0.01 2.39 -0.17 0.00 0.02 0.00 0.00 54.13 56.37 1qay s LEU 13 Cb 0.09 -4.60 -0.07 0.00 0.02 0.00 0.00 46.19 41.63 1qay s LEU 13 CO 0.79 -1.88 1.01 -0.55 0.02 0.00 0.00 176.35 175.74 1qay s SER 14 N -1.76 6.38 0.23 2.29 0.15 -1.26 -4.80 113.70 114.93 1qay s SER 14 Ca 0.77 1.67 -0.10 0.00 0.70 0.00 0.00 55.95 58.98 1qay s SER 14 Cb -0.31 -2.52 0.34 0.00 -1.71 0.00 0.00 66.02 61.83 1qay s SER 14 CO 0.39 -0.75 1.62 -0.65 1.20 0.00 0.00 173.24 175.04 1qay h PRO 15 N 0.87 0.04 -0.73 5.44 0.11 -1.94 0.25 132.00 136.03 1qay h PRO 15 Ca -0.47 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 1qay h PRO 15 Cb 1.20 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1qay h PRO 15 CO 0.60 0.02 0.21 0.00 -0.21 0.00 0.00 178.00 178.62 1qay h ALA 16 N 1.71 0.99 -0.40 -0.75 0.00 -1.98 0.31 119.26 119.13 1qay h ALA 16 Ca 0.37 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1qay h ALA 16 Cb 0.60 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1qay h ALA 16 CO -0.71 0.67 -0.03 0.00 0.00 0.00 0.00 179.25 179.18 1qay h ALA 17 N 1.13 1.20 -0.11 0.00 0.00 -1.41 -1.40 119.26 118.66 1qay h ALA 17 Ca 0.23 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1qay h ALA 17 Cb 0.33 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1qay h ALA 17 CO -0.00 0.52 -0.14 0.00 0.00 0.00 0.00 179.25 179.63 1qay h ARG 18 N 0.62 0.29 -0.10 0.00 3.08 -0.20 -1.43 114.38 116.64 1qay h ARG 18 Ca 0.12 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1qay h ARG 18 Cb 0.43 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1qay h ARG 18 CO 0.02 0.72 -0.02 1.25 -1.07 0.00 0.00 179.97 180.87 1qay h LEU 19 N -0.12 0.13 0.11 3.04 5.85 -0.78 0.66 115.31 124.20 1qay h LEU 19 Ca 0.01 -0.01 -0.26 0.00 0.84 0.00 0.00 57.88 58.46 1qay h LEU 19 Cb 0.68 -0.03 0.03 0.00 0.37 0.00 0.00 40.66 41.70 1qay h LEU 19 CO 0.03 0.18 -1.08 -0.78 -0.34 0.00 0.00 178.44 176.45 1qay h ASP 20 N 0.14 0.75 -0.12 1.25 3.58 -1.23 -1.90 116.42 118.90 1qay h ASP 20 Ca 0.03 -0.84 -0.00 0.00 0.42 0.00 0.00 57.03 56.64 1qay h ASP 20 Cb 0.14 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 1qay h ASP 20 CO 0.00 1.52 0.07 -0.74 -2.88 0.00 0.00 179.24 177.22 1qay h HIS 21 N 0.09 0.16 -0.12 0.28 2.76 -0.80 -1.73 115.15 115.79 1qay h HIS 21 Ca -0.17 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 57.96 1qay h HIS 21 Cb 1.79 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 30.69 1qay h HIS 21 CO 0.14 0.15 -0.12 0.82 -1.30 0.00 0.00 177.93 177.62 1qay h ILE 22 N 0.12 1.16 0.85 6.26 1.08 -0.98 -2.46 117.51 123.54 1qay h ILE 22 Ca 0.04 -0.68 -0.04 0.00 -0.39 0.00 0.00 64.86 63.79 1qay h ILE 22 Cb 0.04 1.20 0.01 0.00 -3.07 0.00 0.00 36.82 34.99 1qay h ILE 22 CO -0.01 0.21 -0.41 1.23 -0.69 0.00 0.00 178.15 178.49 1qay h GLY 23 N 0.65 -1.19 2.00 5.37 0.00 -0.50 -2.58 103.07 106.82 1qay h GLY 23 Ca 0.04 0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.81 1qay h GLY 23 CO 0.02 -0.43 0.00 0.06 0.00 0.00 0.00 176.54 176.19 1qay h GLN 24 N -1.23 0.00 0.08 4.80 3.07 -1.42 0.62 115.11 121.03 1qay h GLN 24 Ca -0.12 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.62 1qay h GLN 24 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.44 1qay h GLN 24 CO 0.19 0.00 -0.04 1.25 0.09 0.00 0.00 178.83 180.32 1qay h LEU 25 N 0.00 -0.09 0.00 0.06 6.46 -1.44 -3.12 115.31 117.18 1qay h LEU 25 Ca 0.00 -0.36 0.00 0.00 -0.12 0.00 0.00 57.88 57.40 1qay h LEU 25 Cb 0.66 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.61 1qay h LEU 25 CO 0.00 0.33 -0.23 0.18 -0.62 0.00 0.00 178.44 178.10 1qay n LEU 26 N -4.94 0.34 -1.43 2.25 4.77 -0.98 -4.94 117.00 112.07 1qay n LEU 26 Ca -0.08 0.32 -0.09 0.00 -0.03 0.00 0.00 56.01 56.12 1qay n LEU 26 Cb 0.23 -0.36 0.02 0.00 -2.33 0.00 0.00 43.42 40.98 1qay n LEU 26 CO 0.32 0.01 0.01 0.61 -1.33 0.00 0.00 177.39 177.01 1qay n GLY 27 N 1.46 0.19 3.77 -0.72 0.00 0.14 -4.99 105.19 105.03 1qay n GLY 27 Ca 0.06 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 1qay n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qay s LEU 28 N -3.11 4.43 0.89 0.99 1.43 0.19 -4.97 118.68 118.52 1qay s LEU 28 Ca 0.13 2.54 -0.12 0.00 -1.03 0.00 0.00 54.13 55.65 1qay s LEU 28 Cb -0.06 -3.69 0.12 0.00 0.03 0.00 0.00 46.19 42.59 1qay s LEU 28 CO 0.17 -0.45 1.10 -0.94 0.23 0.00 0.00 176.35 176.45 1qay s SER 29 N -0.67 3.63 0.36 2.29 1.04 -1.26 -4.73 113.70 114.35 1qay s SER 29 Ca 0.49 1.30 0.06 0.00 0.48 0.00 0.00 55.95 58.28 1qay s SER 29 Cb -0.37 -1.97 0.70 0.00 0.10 0.00 0.00 66.02 64.48 1qay s SER 29 CO 0.48 -2.51 1.91 1.12 0.98 0.00 0.00 173.24 175.22 1qay h HIS 30 N -1.47 0.44 -0.23 5.02 2.07 -1.99 -2.19 115.15 116.80 1qay h HIS 30 Ca -0.50 -0.04 0.07 0.00 -2.85 0.00 0.00 60.37 57.05 1qay h HIS 30 Cb 1.29 -0.13 -0.01 0.00 2.57 0.00 0.00 27.41 31.14 1qay h HIS 30 CO 0.39 0.45 0.17 -0.44 -3.07 0.00 0.00 177.93 175.44 1qay h ASP 31 N 0.41 0.00 0.00 3.10 3.32 -1.99 0.05 116.42 121.30 1qay h ASP 31 Ca 0.09 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 1qay h ASP 31 Cb 0.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1qay h ASP 31 CO 0.01 0.00 -0.52 0.44 -1.72 0.00 0.00 179.24 177.45 1qay h ASP 32 N 0.00 0.00 -0.39 6.45 3.32 -1.77 -3.33 116.42 120.70 1qay h ASP 32 Ca 0.11 -0.79 0.04 0.00 0.02 0.00 0.00 57.03 56.41 1qay h ASP 32 Cb 0.45 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1qay h ASP 32 CO -0.00 1.20 0.26 0.58 -1.72 0.00 0.00 179.24 179.56 1qay h VAL 33 N -1.00 1.00 -0.12 -1.35 2.07 -1.17 -1.52 116.25 114.16 1qay h VAL 33 Ca -0.14 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 1qay h VAL 33 Cb 1.11 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1qay h VAL 33 CO -0.09 0.07 -0.25 0.28 0.02 0.00 0.00 177.57 177.60 1qay h SER 34 N 0.36 0.20 0.19 0.57 0.02 -1.15 0.33 113.55 114.08 1qay h SER 34 Ca 0.16 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 1qay h SER 34 Cb 0.20 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1qay h SER 34 CO -0.04 0.45 -0.20 -0.07 -1.14 0.00 0.00 176.83 175.83 1qay h LEU 35 N 0.19 0.03 0.01 5.07 3.38 -1.38 -2.28 115.31 120.32 1qay h LEU 35 Ca 0.03 -0.01 -0.34 0.00 0.09 0.00 0.00 57.88 57.65 1qay h LEU 35 Cb 0.54 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 1qay h LEU 35 CO 0.04 0.23 -2.13 0.18 0.09 0.00 0.00 178.44 176.85 1qay n LEU 36 N -4.28 0.74 -0.06 1.67 4.77 -0.95 -4.47 117.00 114.42 1qay n LEU 36 Ca -0.02 0.15 -0.11 0.00 -0.03 0.00 0.00 56.01 56.00 1qay n LEU 36 Cb 0.27 0.15 -0.04 0.00 -2.33 0.00 0.00 43.42 41.47 1qay n LEU 36 CO 0.37 0.52 0.83 0.00 -1.33 0.00 0.00 177.39 177.78 1qay h ALA 37 N 0.85 0.27 -3.11 -1.18 0.00 -0.25 -3.44 119.26 112.40 1qay h ALA 37 Ca -0.45 -0.14 -0.63 0.00 0.00 0.00 0.00 54.91 53.70 1qay h ALA 37 Cb 2.12 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 19.73 1qay h ALA 37 CO 0.04 -0.11 -0.63 -0.80 0.00 0.00 0.00 179.25 177.76 1qay s ASN 38 N -5.68 5.22 0.43 0.00 0.01 -0.87 -5.07 114.94 108.99 1qay s ASN 38 Ca -0.14 -0.15 -0.21 0.00 -0.71 0.00 0.00 52.86 51.65 1qay s ASN 38 Cb 0.07 -1.30 -0.11 0.00 0.41 0.00 0.00 41.25 40.33 1qay s ASN 38 CO 0.72 0.14 0.96 0.00 -1.51 0.00 0.00 177.10 177.41 1qay s ALA 39 N -1.47 3.03 0.00 0.60 0.00 -1.26 -4.35 121.76 118.30 1qay s ALA 39 Ca 0.28 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.68 1qay s ALA 39 Cb -0.11 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1qay s ALA 39 CO 0.20 0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.44 1qay n GLY 40 N -0.48 1.55 0.27 0.00 0.00 -1.26 -4.98 105.19 100.30 1qay n GLY 40 Ca 0.07 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.06 1qay n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qay h ALA 41 N 0.00 1.29 -2.45 4.61 0.00 -1.80 -3.37 119.26 117.54 1qay h ALA 41 Ca 0.00 -0.09 -0.74 0.00 0.00 0.00 0.00 54.91 54.08 1qay h ALA 41 Cb 0.19 -0.02 -0.27 0.00 0.00 0.00 0.00 17.79 17.70 1qay h ALA 41 CO 0.00 0.12 -0.34 -1.17 0.00 0.00 0.00 179.25 177.86 1qay s LEU 42 N -7.26 5.74 0.48 0.00 2.96 -1.26 -4.65 118.68 114.69 1qay s LEU 42 Ca -0.03 -1.72 -0.24 0.00 -0.22 0.00 0.00 54.13 51.92 1qay s LEU 42 Cb 0.13 -2.09 -0.08 0.00 0.50 0.00 0.00 46.19 44.66 1qay s LEU 42 CO 0.57 -0.71 1.36 -0.81 -1.32 0.00 0.00 176.35 175.45 1qay n PRO 43 N 5.05 1.98 0.29 0.98 -0.04 -1.26 -4.78 135.00 137.23 1qay n PRO 43 Ca -0.11 0.71 0.16 0.00 -0.04 0.00 0.00 63.50 64.22 1qay n PRO 43 Cb 0.41 -2.55 0.91 0.00 -0.04 0.00 0.00 33.50 32.23 1qay n PRO 43 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1qay h MET 44 N 1.94 0.00 0.00 0.54 2.86 -1.97 -0.49 114.93 117.81 1qay h MET 44 Ca -0.50 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.05 1qay h MET 44 Cb 1.29 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.93 1qay h MET 44 CO 0.59 0.03 -0.43 0.38 1.06 0.00 0.00 176.91 178.54 1qay h ASP 45 N 0.00 0.00 0.19 1.22 3.04 -1.98 -1.88 116.42 117.01 1qay h ASP 45 Ca -0.00 0.00 -0.35 0.00 -3.24 0.00 0.00 57.03 53.44 1qay h ASP 45 Cb 0.10 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.38 1qay h ASP 45 CO 0.00 0.43 -1.86 0.40 -2.04 0.00 0.00 179.24 176.18 1qay h ILE 46 N 0.00 0.79 -0.11 4.15 2.04 -1.62 -3.31 117.51 119.45 1qay h ILE 46 Ca -0.00 -2.45 -0.03 0.00 1.00 0.00 0.00 64.86 63.37 1qay h ILE 46 Cb 1.00 2.62 -0.01 0.00 -0.74 0.00 0.00 36.82 39.69 1qay h ILE 46 CO 0.06 0.86 -0.08 0.00 0.00 0.00 0.00 178.15 178.99 1qay h ALA 47 N 0.16 1.66 -0.00 1.87 0.00 -1.14 -0.57 119.26 121.23 1qay h ALA 47 Ca -0.38 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1qay h ALA 47 Cb 2.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1qay h ALA 47 CO 0.13 0.25 -0.01 -1.71 0.00 0.00 0.00 179.25 177.91 1qay n ASN 48 N -4.35 0.08 -0.01 0.00 5.15 -0.71 -3.32 115.26 112.10 1qay n ASN 48 Ca -0.01 -0.49 0.11 0.00 -0.60 0.00 0.00 54.58 53.59 1qay n ASN 48 Cb 0.21 -0.16 -0.17 0.00 -0.53 0.00 0.00 39.78 39.13 1qay n ASN 48 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1qay n GLY 49 N 1.19 -1.01 0.06 8.20 0.00 -0.24 -4.63 105.19 108.76 1qay n GLY 49 Ca 0.17 -0.51 -0.04 0.00 0.00 0.00 0.00 46.02 45.64 1qay n GLY 49 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1qay h MET 50 N 0.00 0.00 -6.24 1.61 2.86 -1.51 -3.48 114.93 108.17 1qay h MET 50 Ca 0.00 0.00 -0.48 0.00 -2.06 0.00 0.00 59.70 57.16 1qay h MET 50 Cb 0.99 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.64 1qay h MET 50 CO 0.00 0.14 -0.34 0.42 1.06 0.00 0.00 176.91 178.18 1qay s ILE 51 N -1.87 2.71 0.07 -1.22 -1.09 -1.24 -5.13 121.20 113.44 1qay s ILE 51 Ca -0.08 -1.26 0.02 0.00 -2.23 0.00 0.00 60.65 57.10 1qay s ILE 51 Cb 0.01 -2.97 -0.04 0.00 -1.58 0.00 0.00 42.46 37.87 1qay s ILE 51 CO 0.16 0.00 0.13 -1.61 -1.23 0.00 0.00 174.94 172.39 1qay s GLU 52 N -4.19 3.10 -1.10 2.79 8.01 -1.26 -4.55 118.70 121.50 1qay s GLU 52 Ca 0.50 -0.58 -0.05 0.00 0.01 0.00 0.00 54.97 54.84 1qay s GLU 52 Cb -0.05 -2.85 0.01 0.00 -4.31 0.00 0.00 34.13 26.92 1qay s GLU 52 CO 0.29 0.59 0.68 0.09 0.01 0.00 0.00 175.26 176.91 1qay n ASN 53 N 0.43 -5.17 -4.71 -0.19 4.13 -1.26 -4.97 115.26 103.51 1qay n ASN 53 Ca -0.07 -0.31 -0.42 0.00 1.68 0.00 0.00 54.58 55.46 1qay n ASN 53 Cb 0.51 -3.90 -0.03 0.00 -1.54 0.00 0.00 39.78 34.82 1qay n ASN 53 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1qay s VAL 54 N -3.13 3.67 0.00 2.41 1.01 -1.26 -4.90 120.40 118.20 1qay s VAL 54 Ca 0.34 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.51 1qay s VAL 54 Cb -0.15 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1qay s VAL 54 CO 0.42 0.09 0.14 2.30 0.00 0.00 0.00 175.10 178.04 1qay n ILE 55 N 3.99 0.00 -2.18 2.22 -5.35 -1.26 -5.01 119.36 111.76 1qay n ILE 55 Ca 0.10 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 62.12 1qay n ILE 55 Cb 0.44 1.02 0.00 0.00 -1.74 0.00 0.00 39.64 39.37 1qay n ILE 55 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qay n GLY 56 N 0.63 -0.59 3.07 3.28 0.00 -1.26 -5.17 105.19 105.15 1qay n GLY 56 Ca 0.00 -0.66 -0.15 0.00 0.00 0.00 0.00 46.02 45.21 1qay n GLY 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qay s THR 57 N -3.35 0.66 -0.13 2.61 -4.23 -1.26 -5.02 115.64 104.93 1qay s THR 57 Ca 0.00 -0.96 -0.02 0.00 -1.18 0.00 0.00 61.69 59.53 1qay s THR 57 Cb 0.00 -0.67 -0.03 0.00 1.34 0.00 0.00 72.50 73.14 1qay s THR 57 CO 0.00 -0.24 -0.07 0.12 -0.54 0.00 0.00 174.62 173.90 1qay s PHE 58 N -1.10 2.95 0.03 3.99 5.36 -1.26 -5.12 117.98 122.84 1qay s PHE 58 Ca -0.06 -0.28 0.09 0.00 -0.96 0.00 0.00 56.93 55.72 1qay s PHE 58 Cb -0.08 -1.86 -0.03 0.00 -0.34 0.00 0.00 43.02 40.70 1qay s PHE 58 CO 0.01 0.03 -0.26 -1.83 -1.46 0.00 0.00 175.22 171.71 1qay s GLU 59 N 0.03 1.87 0.15 10.12 -1.05 -1.26 -5.13 118.70 123.43 1qay s GLU 59 Ca -0.01 -1.07 0.08 0.00 -0.15 0.00 0.00 54.97 53.81 1qay s GLU 59 Cb -0.14 -2.01 -0.04 0.00 -0.44 0.00 0.00 34.13 31.51 1qay s GLU 59 CO 0.03 0.52 -0.17 -0.51 0.95 0.00 0.00 175.26 176.08 1qay s LEU 60 N -1.16 2.42 0.39 1.83 1.43 -1.26 -5.12 118.68 117.21 1qay s LEU 60 Ca 0.12 -0.84 -0.27 0.00 -1.03 0.00 0.00 54.13 52.11 1qay s LEU 60 Cb -0.10 -0.76 -0.11 0.00 0.03 0.00 0.00 46.19 45.25 1qay s LEU 60 CO 0.02 -0.06 1.33 -2.65 0.23 0.00 0.00 176.35 175.23 1qay n PRO 61 N 0.41 2.17 -3.94 1.29 -0.02 -1.25 -4.94 135.00 128.72 1qay n PRO 61 Ca -0.14 0.77 -0.32 0.00 -2.02 0.00 0.00 63.50 61.78 1qay n PRO 61 Cb 0.57 -2.44 -0.14 0.00 -0.02 0.00 0.00 33.50 31.47 1qay n PRO 61 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1qay s TYR 62 N -1.15 3.61 0.46 6.00 5.04 -1.26 -3.63 117.35 126.43 1qay s TYR 62 Ca 0.57 -2.90 0.08 0.00 -2.44 0.00 0.00 57.07 52.38 1qay s TYR 62 Cb -0.52 -2.99 0.03 0.00 0.35 0.00 0.00 41.96 38.83 1qay s TYR 62 CO 0.61 -0.91 0.59 0.00 -1.34 0.00 0.00 175.55 174.49 1qay s ALA 63 N 0.69 4.50 -0.12 3.97 0.00 0.42 -4.93 121.76 126.29 1qay s ALA 63 Ca 0.12 -1.81 -0.02 0.00 0.00 0.00 0.00 51.96 50.25 1qay s ALA 63 Cb -0.21 -1.44 0.04 0.00 0.00 0.00 0.00 23.12 21.51 1qay s ALA 63 CO -0.06 -0.43 0.02 0.08 0.00 0.00 0.00 175.76 175.38 1qay s VAL 64 N -2.47 0.36 0.51 0.00 1.01 -1.26 -0.20 120.40 118.35 1qay s VAL 64 Ca 0.55 -0.12 -0.19 0.00 0.00 0.00 0.00 61.98 62.22 1qay s VAL 64 Cb -0.07 -0.68 -0.07 0.00 0.00 0.00 0.00 36.38 35.55 1qay s VAL 64 CO 0.33 0.05 1.03 0.00 0.00 0.00 0.00 175.10 176.51 1qay s ALA 65 N 1.96 2.88 0.48 5.51 0.00 0.87 -4.93 121.76 128.52 1qay s ALA 65 Ca 0.03 0.48 0.03 0.00 0.00 0.00 0.00 51.96 52.50 1qay s ALA 65 Cb -0.14 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 1qay s ALA 65 CO -0.06 -0.38 0.02 -1.54 0.00 0.00 0.00 175.76 173.79 1qay s SER 66 N -2.34 4.07 0.00 0.00 1.04 -1.26 -3.39 113.70 111.82 1qay s SER 66 Ca 0.65 -1.53 0.00 0.00 0.48 0.00 0.00 55.95 55.55 1qay s SER 66 Cb -0.15 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.16 1qay s SER 66 CO 0.25 -0.72 0.00 0.59 0.98 0.00 0.00 173.24 174.34 1qay n ASN 67 N -1.18 0.00 -4.67 7.02 3.02 -1.05 -4.50 115.26 113.91 1qay n ASN 67 Ca -0.13 0.00 -0.47 0.00 -0.03 0.00 0.00 54.58 53.95 1qay n ASN 67 Cb 0.67 -0.32 -0.04 0.00 -0.61 0.00 0.00 39.78 39.47 1qay n ASN 67 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1qay n PHE 68 N -1.69 2.25 -3.71 3.10 3.01 -1.26 -4.57 117.46 114.59 1qay n PHE 68 Ca 0.00 0.23 -0.26 0.00 1.01 0.00 0.00 57.45 58.43 1qay n PHE 68 Cb 0.00 -2.56 -0.17 0.00 -0.01 0.00 0.00 39.48 36.74 1qay n PHE 68 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 1qay s GLN 69 N 1.47 0.47 -0.31 -1.08 0.74 -1.26 -2.00 119.66 117.69 1qay s GLN 69 Ca 0.82 -0.20 -0.08 0.00 0.05 0.00 0.00 55.36 55.95 1qay s GLN 69 Cb -0.69 -1.76 0.01 0.00 1.10 0.00 0.00 33.01 31.67 1qay s GLN 69 CO 0.41 -0.57 0.11 0.42 -0.55 0.00 0.00 175.29 175.10 1qay s ILE 70 N 1.96 4.15 -1.44 -2.34 -1.09 -0.31 -0.55 121.20 121.58 1qay s ILE 70 Ca 0.01 -0.66 -0.09 0.00 -2.23 0.00 0.00 60.65 57.69 1qay s ILE 70 Cb -0.16 -3.15 0.05 0.00 -1.58 0.00 0.00 42.46 37.62 1qay s ILE 70 CO -0.07 0.05 0.92 0.59 -1.23 0.00 0.00 174.94 175.19 1qay n ASN 71 N 4.90 -3.76 0.00 3.58 3.02 -0.21 -2.20 115.26 120.60 1qay n ASN 71 Ca -0.14 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.64 1qay n ASN 71 Cb 0.48 -4.07 0.00 0.00 -0.61 0.00 0.00 39.78 35.58 1qay n ASN 71 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qay n GLY 72 N -1.68 2.10 3.69 7.41 0.00 -1.26 -4.99 105.19 110.46 1qay n GLY 72 Ca -0.08 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 1qay n GLY 72 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1qay s ARG 73 N 0.00 4.20 0.47 1.61 6.06 -0.93 -4.99 118.95 125.37 1qay s ARG 73 Ca 0.00 2.30 -0.20 0.00 -2.50 0.00 0.00 55.73 55.33 1qay s ARG 73 Cb 0.00 -3.58 -0.09 0.00 0.06 0.00 0.00 34.95 31.34 1qay s ARG 73 CO 0.00 -0.72 1.00 -0.51 -2.50 0.00 0.00 175.30 172.58 1qay s ASP 74 N 2.31 6.56 -0.20 -2.12 1.11 -1.26 -1.17 116.67 121.90 1qay s ASP 74 Ca 0.73 1.81 -0.20 0.00 0.18 0.00 0.00 52.55 55.07 1qay s ASP 74 Cb -0.39 -2.55 0.06 0.00 1.07 0.00 0.00 42.92 41.11 1qay s ASP 74 CO 0.32 -0.63 0.58 0.54 1.18 0.00 0.00 175.17 177.15 1qay s VAL 75 N -2.12 0.00 -0.27 -1.27 0.11 -0.85 -4.90 120.40 111.10 1qay s VAL 75 Ca 0.65 -0.01 -0.16 0.00 -2.93 0.00 0.00 61.98 59.52 1qay s VAL 75 Cb -0.13 -0.81 -0.03 0.00 -1.53 0.00 0.00 36.38 33.88 1qay s VAL 75 CO 0.19 -0.01 0.41 -0.76 -3.33 0.00 0.00 175.10 171.60 1qay s LEU 76 N 0.19 4.07 -0.33 2.54 1.43 -1.26 -4.26 118.68 121.05 1qay s LEU 76 Ca -0.01 0.31 -0.14 0.00 -1.03 0.00 0.00 54.13 53.25 1qay s LEU 76 Cb -0.04 -2.49 -0.02 0.00 0.03 0.00 0.00 46.19 43.68 1qay s LEU 76 CO 0.01 -0.23 0.32 -0.69 0.23 0.00 0.00 176.35 176.00 1qay s VAL 77 N 2.14 5.21 0.03 -1.59 1.01 -1.22 -4.15 120.40 121.83 1qay s VAL 77 Ca 0.16 0.03 -0.28 0.00 0.00 0.00 0.00 61.98 61.89 1qay s VAL 77 Cb -0.16 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1qay s VAL 77 CO 0.10 -0.03 0.88 -2.16 0.00 0.00 0.00 175.10 173.89 1qay s PRO 78 N 1.93 4.56 0.08 2.72 0.04 -1.26 -0.09 135.00 142.98 1qay s PRO 78 Ca 0.10 1.26 0.06 0.00 0.04 0.00 0.00 61.00 62.47 1qay s PRO 78 Cb -0.17 -3.41 -0.03 0.00 0.04 0.00 0.00 34.50 30.93 1qay s PRO 78 CO 0.11 0.12 -0.17 -0.51 0.04 0.00 0.00 177.00 176.59 1qay s LEU 79 N 0.46 2.27 -0.25 -3.56 1.43 0.72 -4.21 118.68 115.54 1qay s LEU 79 Ca 0.45 -0.63 -0.03 0.00 -1.03 0.00 0.00 54.13 52.90 1qay s LEU 79 Cb -0.21 -0.69 0.08 0.00 0.03 0.00 0.00 46.19 45.41 1qay s LEU 79 CO 0.26 -0.01 0.08 -0.69 0.23 0.00 0.00 176.35 176.22 1qay s VAL 80 N -1.18 0.43 0.36 -1.59 1.01 -1.05 -0.43 120.40 117.94 1qay s VAL 80 Ca 0.02 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 1qay s VAL 80 Cb -0.10 -1.18 0.01 0.00 0.00 0.00 0.00 36.38 35.11 1qay s VAL 80 CO 0.03 -0.49 0.48 1.33 0.00 0.00 0.00 175.10 176.45 1qay n VAL 81 N 5.06 0.00 0.00 2.92 0.24 -1.24 -4.38 118.33 120.92 1qay n VAL 81 Ca -0.06 -1.87 0.00 0.00 -2.04 0.00 0.00 64.34 60.37 1qay n VAL 81 Cb 0.44 1.13 0.00 0.00 -1.47 0.00 0.00 33.84 33.95 1qay n VAL 81 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1qay n GLU 82 N -0.60 0.94 -2.82 7.34 0.00 -1.26 -3.84 120.64 120.40 1qay n GLU 82 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.75 1qay n GLU 82 Cb 0.60 -0.93 -0.03 0.00 0.00 0.00 0.00 31.44 31.08 1qay n GLU 82 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1qay s GLU 83 N -1.82 4.33 0.87 3.44 2.12 -1.26 -5.06 118.70 121.32 1qay s GLU 83 Ca 0.00 1.15 -0.12 0.00 0.36 0.00 0.00 54.97 56.36 1qay s GLU 83 Cb 0.00 -3.57 0.11 0.00 0.26 0.00 0.00 34.13 30.93 1qay s GLU 83 CO 0.00 -0.35 1.10 -1.25 -0.54 0.00 0.00 175.26 174.22 1qay s PRO 84 N 2.21 1.48 0.00 4.30 0.04 -1.26 -4.07 135.00 137.70 1qay s PRO 84 Ca 0.41 0.62 0.00 0.00 0.04 0.00 0.00 61.00 62.07 1qay s PRO 84 Cb -0.17 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1qay s PRO 84 CO 0.13 -2.04 0.00 0.43 0.04 0.00 0.00 177.00 175.56 1qay n SER 85 N -3.71 0.00 0.29 6.66 7.64 -1.26 -4.85 113.62 118.39 1qay n SER 85 Ca 0.07 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.77 1qay n SER 85 Cb 0.57 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.68 1qay n SER 85 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1qay h ILE 86 N 0.00 0.12 -0.01 0.44 2.04 -1.96 0.12 117.51 118.26 1qay h ILE 86 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1qay h ILE 86 Cb 0.00 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.19 1qay h ILE 86 CO 0.00 0.00 -0.20 0.58 0.00 0.00 0.00 178.15 178.53 1qay h VAL 87 N -0.93 1.14 -0.09 1.67 2.07 -1.88 -1.67 116.25 116.56 1qay h VAL 87 Ca -0.05 -0.68 -0.20 0.00 0.82 0.00 0.00 66.70 66.58 1qay h VAL 87 Cb 0.81 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1qay h VAL 87 CO -0.03 0.20 -0.77 0.00 0.02 0.00 0.00 177.57 176.99 1qay h ALA 88 N 1.80 0.49 0.07 1.67 0.00 -1.87 -3.02 119.26 118.40 1qay h ALA 88 Ca 0.00 -0.61 -0.20 0.00 0.00 0.00 0.00 54.91 54.10 1qay h ALA 88 Cb 0.35 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.12 1qay h ALA 88 CO 0.03 0.74 -0.81 0.00 0.00 0.00 0.00 179.25 179.21 1qay h ALA 89 N 0.81 0.01 -0.68 0.00 0.00 -0.54 -2.73 119.26 116.12 1qay h ALA 89 Ca -0.04 -0.65 0.03 0.00 0.00 0.00 0.00 54.91 54.25 1qay h ALA 89 Cb 1.36 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 1qay h ALA 89 CO 0.14 0.44 0.45 0.00 0.00 0.00 0.00 179.25 180.28 1qay h ALA 90 N 0.24 1.62 0.09 0.00 0.00 -1.40 -1.35 119.26 118.45 1qay h ALA 90 Ca -0.12 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.49 1qay h ALA 90 Cb 1.55 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 19.12 1qay h ALA 90 CO 0.16 0.31 -1.14 0.77 0.00 0.00 0.00 179.25 179.34 1qay h SER 91 N 0.82 0.55 -0.02 0.00 0.02 -1.62 -2.79 113.55 110.51 1qay h SER 91 Ca 0.27 -0.52 -0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1qay h SER 91 Cb 0.07 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.44 1qay h SER 91 CO -0.08 1.36 -0.00 0.22 -1.14 0.00 0.00 176.83 177.19 1qay h TYR 92 N 0.16 0.04 0.00 3.45 3.20 -1.11 -1.82 116.97 120.90 1qay h TYR 92 Ca -0.13 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.68 1qay h TYR 92 Cb 1.83 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 40.08 1qay h TYR 92 CO 0.07 0.36 -0.26 0.52 -1.64 0.00 0.00 178.16 177.21 1qay h MET 93 N -0.29 0.00 -0.32 1.82 2.86 -1.39 -1.91 114.93 115.70 1qay h MET 93 Ca 0.01 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.56 1qay h MET 93 Cb 0.34 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 1qay h MET 93 CO 0.00 0.26 -0.17 0.00 1.06 0.00 0.00 176.91 178.06 1qay h ALA 94 N 1.74 1.10 -0.34 6.32 0.00 -1.35 -1.65 119.26 125.09 1qay h ALA 94 Ca -0.00 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 1qay h ALA 94 Cb 0.46 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1qay h ALA 94 CO 0.03 0.55 -0.21 -0.22 0.00 0.00 0.00 179.25 179.41 1qay h LYS 95 N 0.52 0.64 -0.28 0.00 3.64 -0.55 -2.80 116.57 117.74 1qay h LYS 95 Ca 0.09 -0.24 -0.18 0.00 -1.27 0.00 0.00 60.65 59.05 1qay h LYS 95 Cb 0.60 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1qay h LYS 95 CO 0.04 0.81 -0.52 -0.07 -2.27 0.00 0.00 179.45 177.44 1qay h LEU 96 N 0.57 0.90 -1.45 5.20 3.38 -1.10 -3.18 115.31 119.63 1qay h LEU 96 Ca 0.08 -0.47 -0.05 0.00 0.09 0.00 0.00 57.88 57.54 1qay h LEU 96 Cb 0.67 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1qay h LEU 96 CO 0.05 1.25 -0.25 0.00 0.09 0.00 0.00 178.44 179.58 1qay h ALA 97 N 0.77 1.23 -0.46 1.53 0.00 -1.21 -3.15 119.26 117.96 1qay h ALA 97 Ca 0.02 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.80 1qay h ALA 97 Cb 1.11 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.79 1qay h ALA 97 CO 0.11 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.67 1qay h ARG 98 N 0.00 0.11 0.00 0.00 3.08 -1.48 0.33 114.38 116.43 1qay h ARG 98 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1qay h ARG 98 Cb 0.58 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1qay h ARG 98 CO 0.03 0.07 0.16 0.00 -1.07 0.00 0.00 179.97 179.17 1qay n ALA 99 N -2.63 0.78 -0.88 0.04 0.00 -1.19 -1.68 120.51 114.95 1qay n ALA 99 Ca 0.04 0.11 0.04 0.00 0.00 0.00 0.00 53.44 53.64 1qay n ALA 99 Cb 0.25 -0.93 0.06 0.00 0.00 0.00 0.00 19.45 18.82 1qay n ALA 99 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1qay n ASN 100 N -1.93 1.56 0.00 0.00 3.02 -0.55 -4.97 115.26 112.40 1qay n ASN 100 Ca -0.01 -2.31 0.00 0.00 -0.03 0.00 0.00 54.58 52.24 1qay n ASN 100 Cb 0.18 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 1qay n ASN 100 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qay n GLY 101 N -0.73 1.29 7.00 7.41 0.00 -0.68 -4.93 105.19 114.55 1qay n GLY 101 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1qay n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qay n GLY 102 N -1.05 2.36 3.33 -0.02 0.00 0.11 -4.41 105.19 105.50 1qay n GLY 102 Ca 0.00 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 1qay n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qay s PHE 103 N 0.00 2.62 -0.33 1.61 0.40 0.29 -4.66 117.98 117.91 1qay s PHE 103 Ca 0.00 -0.64 -0.10 0.00 -0.60 0.00 0.00 56.93 55.59 1qay s PHE 103 Cb 0.00 -1.70 0.00 0.00 0.51 0.00 0.00 43.02 41.83 1qay s PHE 103 CO 0.00 -0.17 0.18 0.99 0.70 0.00 0.00 175.22 176.92 1qay s THR 104 N -0.04 4.68 0.40 0.64 2.01 -1.06 -1.04 115.64 121.24 1qay s THR 104 Ca -0.05 -0.53 0.07 0.00 0.31 0.00 0.00 61.69 61.49 1qay s THR 104 Cb -0.14 -3.46 -0.07 0.00 0.01 0.00 0.00 72.50 68.84 1qay s THR 104 CO 0.05 -0.04 0.07 0.42 -0.69 0.00 0.00 174.62 174.42 1qay s THR 105 N 1.61 2.18 0.12 -0.82 -4.23 -1.26 -0.71 115.64 112.53 1qay s THR 105 Ca 0.04 -1.90 -0.25 0.00 -1.18 0.00 0.00 61.69 58.40 1qay s THR 105 Cb -0.18 -2.96 0.07 0.00 1.34 0.00 0.00 72.50 70.77 1qay s THR 105 CO 0.07 -0.03 0.78 -0.94 -0.54 0.00 0.00 174.62 173.96 1qay s SER 106 N -3.78 -0.39 0.28 3.99 1.04 -1.08 -4.97 113.70 108.80 1qay s SER 106 Ca 0.37 -0.16 -0.11 0.00 0.48 0.00 0.00 55.95 56.53 1qay s SER 106 Cb 0.06 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1qay s SER 106 CO 0.20 -0.90 0.51 -0.94 0.98 0.00 0.00 173.24 173.09 1qay s SER 107 N -2.72 0.11 0.38 7.02 1.04 -1.26 -0.13 113.70 118.14 1qay s SER 107 Ca 0.06 -1.05 0.08 0.00 0.48 0.00 0.00 55.95 55.51 1qay s SER 107 Cb -0.02 0.63 -0.05 0.00 0.10 0.00 0.00 66.02 66.69 1qay s SER 107 CO -0.06 -1.23 0.17 -0.94 0.98 0.00 0.00 173.24 172.16 1qay s SER 108 N -3.06 4.55 0.30 7.02 1.04 -1.02 -5.02 113.70 117.51 1qay s SER 108 Ca 0.23 -0.93 -0.29 0.00 0.48 0.00 0.00 55.95 55.44 1qay s SER 108 Cb -0.01 -0.58 -0.13 0.00 0.10 0.00 0.00 66.02 65.40 1qay s SER 108 CO 0.11 -0.44 1.35 0.00 0.98 0.00 0.00 173.24 175.24 1qay n ALA 109 N -1.21 1.27 -1.45 5.32 0.00 -1.26 -4.77 120.51 118.42 1qay n ALA 109 Ca -0.02 0.38 -0.22 0.00 0.00 0.00 0.00 53.44 53.59 1qay n ALA 109 Cb 0.63 -2.27 -0.11 0.00 0.00 0.00 0.00 19.45 17.70 1qay n ALA 109 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1qay n PRO 110 N 1.21 0.28 -3.47 0.00 -0.04 -1.26 -4.59 135.00 127.13 1qay n PRO 110 Ca 0.08 -1.68 -0.43 0.00 -0.04 0.00 0.00 63.50 61.42 1qay n PRO 110 Cb 0.34 -3.67 -0.09 0.00 -0.04 0.00 0.00 33.50 30.05 1qay n PRO 110 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1qay s LEU 111 N 13.50 5.29 0.27 1.53 1.43 -1.26 -1.07 118.68 138.37 1qay s LEU 111 Ca 0.78 -1.20 0.07 0.00 -1.03 0.00 0.00 54.13 52.74 1qay s LEU 111 Cb -0.01 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 1qay s LEU 111 CO 0.21 -0.54 0.25 -0.04 0.23 0.00 0.00 176.35 176.46 1qay s MET 112 N 1.61 3.00 -0.05 1.70 -1.94 -0.40 -3.53 119.30 119.68 1qay s MET 112 Ca 0.04 -1.04 -0.02 0.00 -1.71 0.00 0.00 55.69 52.96 1qay s MET 112 Cb -0.22 -2.62 0.03 0.00 2.01 0.00 0.00 34.83 34.03 1qay s MET 112 CO 0.07 0.35 0.11 -3.38 -0.01 0.00 0.00 175.02 172.16 1qay s HIS 113 N -2.13 -0.12 0.54 -0.03 -3.43 -1.26 -0.22 115.29 108.63 1qay s HIS 113 Ca 0.35 0.37 -0.06 0.00 -0.80 0.00 0.00 55.06 54.92 1qay s HIS 113 Cb -0.08 -0.09 -0.02 0.00 -1.43 0.00 0.00 32.58 30.96 1qay s HIS 113 CO 0.26 -0.13 0.86 0.00 -2.00 0.00 0.00 174.74 173.73 1qay s ALA 114 N 0.92 3.32 -0.11 -1.38 0.00 -0.65 -2.27 121.76 121.60 1qay s ALA 114 Ca -0.07 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 51.41 1qay s ALA 114 Cb -0.10 -2.67 0.02 0.00 0.00 0.00 0.00 23.12 20.37 1qay s ALA 114 CO -0.04 -0.54 -0.14 -0.65 0.00 0.00 0.00 175.76 174.39 1qay s GLN 115 N -4.89 2.10 -0.67 0.00 -0.21 0.45 -1.50 119.66 114.94 1qay s GLN 115 Ca 0.50 -0.52 -0.01 0.00 0.02 0.00 0.00 55.36 55.36 1qay s GLN 115 Cb -0.10 -1.81 0.17 0.00 1.00 0.00 0.00 33.01 32.26 1qay s GLN 115 CO 0.46 -0.08 0.48 0.08 -2.12 0.00 0.00 175.29 174.11 1qay s VAL 116 N 1.04 3.55 0.01 1.09 1.01 -0.56 -2.65 120.40 123.88 1qay s VAL 116 Ca -0.06 -3.35 -0.30 0.00 0.00 0.00 0.00 61.98 58.27 1qay s VAL 116 Cb -0.15 -3.31 -0.06 0.00 0.00 0.00 0.00 36.38 32.86 1qay s VAL 116 CO -0.02 -0.92 1.48 -1.58 0.00 0.00 0.00 175.10 174.06 1qay s GLN 117 N -0.51 4.25 -0.18 2.72 0.74 -0.76 -2.96 119.66 122.97 1qay s GLN 117 Ca 0.20 2.07 0.01 0.00 0.05 0.00 0.00 55.36 57.68 1qay s GLN 117 Cb -0.17 -3.60 0.03 0.00 1.10 0.00 0.00 33.01 30.37 1qay s GLN 117 CO -0.06 -0.63 -0.13 0.42 -0.55 0.00 0.00 175.29 174.34 1qay s ILE 118 N 2.56 1.68 0.56 -2.34 1.01 0.59 0.06 121.20 125.32 1qay s ILE 118 Ca 0.67 -0.85 0.05 0.00 0.00 0.00 0.00 60.65 60.52 1qay s ILE 118 Cb -0.34 -1.64 0.05 0.00 0.01 0.00 0.00 42.46 40.54 1qay s ILE 118 CO 0.28 0.34 0.41 0.68 0.00 0.00 0.00 174.94 176.65 1qay s VAL 119 N 1.42 1.51 0.00 2.92 -7.23 -0.92 -0.89 120.40 117.21 1qay s VAL 119 Ca 0.02 -1.50 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 1qay s VAL 119 Cb -0.14 -2.01 0.00 0.00 0.56 0.00 0.00 36.38 34.78 1qay s VAL 119 CO -0.10 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 1qay n GLY 120 N -1.81 1.08 3.74 2.32 0.00 -1.26 -0.19 105.19 109.07 1qay n GLY 120 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1qay n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qay s ILE 121 N -3.57 4.75 -0.22 -0.61 1.01 -1.26 -4.79 121.20 116.52 1qay s ILE 121 Ca 0.00 1.67 0.21 0.00 0.00 0.00 0.00 60.65 62.53 1qay s ILE 121 Cb 0.00 -4.14 -0.01 0.00 0.01 0.00 0.00 42.46 38.32 1qay s ILE 121 CO 0.00 0.34 1.03 -0.61 0.00 0.00 0.00 174.94 175.70 1qay h GLN 122 N 5.84 0.00 -2.14 2.79 4.15 -1.94 -3.40 115.11 120.42 1qay h GLN 122 Ca -0.43 0.00 -0.59 0.00 0.77 0.00 0.00 58.65 58.40 1qay h GLN 122 Cb 1.21 0.00 -0.41 0.00 0.21 0.00 0.00 27.48 28.48 1qay h GLN 122 CO 0.72 0.09 -0.75 -0.40 -1.93 0.00 0.00 178.83 176.55 1qay n ASP 123 N -2.77 2.73 -0.13 -0.69 5.75 -1.26 -4.96 116.55 115.22 1qay n ASP 123 Ca -0.02 -3.24 -0.04 0.00 -0.01 0.00 0.00 54.79 51.48 1qay n ASP 123 Cb 0.63 -0.66 0.03 0.00 -1.03 0.00 0.00 41.12 40.10 1qay n ASP 123 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 1qay h PRO 124 N 4.05 0.13 -0.24 0.11 0.11 -1.94 -0.86 132.00 133.35 1qay h PRO 124 Ca 0.16 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.26 1qay h PRO 124 Cb 0.72 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 1qay h PRO 124 CO 0.72 0.09 0.15 -0.07 -0.21 0.00 0.00 178.00 178.68 1qay h LEU 125 N 0.14 0.30 -0.02 2.35 3.38 -1.95 -1.34 115.31 118.17 1qay h LEU 125 Ca 0.21 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1qay h LEU 125 Cb 0.28 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1qay h LEU 125 CO -0.32 0.26 0.01 -1.13 0.09 0.00 0.00 178.44 177.35 1qay h ASN 126 N 0.30 0.03 -0.13 -0.43 -1.24 -1.94 -2.55 115.58 109.62 1qay h ASN 126 Ca 0.09 -0.21 0.04 0.00 0.71 0.00 0.00 56.30 56.93 1qay h ASN 126 Cb 0.02 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.06 1qay h ASN 126 CO -0.02 0.23 0.18 0.00 -1.29 0.00 0.00 177.43 176.54 1qay h ALA 127 N 0.80 1.62 -0.22 1.57 0.00 -1.09 -1.62 119.26 120.31 1qay h ALA 127 Ca 0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1qay h ALA 127 Cb 0.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1qay h ALA 127 CO -0.00 -0.25 0.04 -0.09 0.00 0.00 0.00 179.25 178.95 1qay h ARG 128 N 0.00 0.37 -0.04 0.00 2.43 -0.80 -2.89 114.38 113.46 1qay h ARG 128 Ca 0.06 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 1qay h ARG 128 Cb 0.42 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1qay h ARG 128 CO -0.00 0.51 -0.30 -0.07 -1.51 0.00 0.00 179.97 178.60 1qay h LEU 129 N 0.17 0.07 -0.98 3.80 3.38 -1.31 -2.20 115.31 118.24 1qay h LEU 129 Ca 0.07 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1qay h LEU 129 Cb 0.32 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1qay h LEU 129 CO 0.00 0.37 0.44 0.28 0.09 0.00 0.00 178.44 179.63 1qay h SER 130 N 0.06 1.04 -0.04 -0.43 0.02 -1.37 -0.82 113.55 112.01 1qay h SER 130 Ca 0.01 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 60.83 1qay h SER 130 Cb 0.57 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1qay h SER 130 CO 0.04 0.85 -0.09 -0.07 -1.14 0.00 0.00 176.83 176.42 1qay h LEU 131 N 1.17 0.16 -1.49 5.07 3.38 -1.28 -2.99 115.31 119.32 1qay h LEU 131 Ca 0.29 -0.57 0.01 0.00 0.09 0.00 0.00 57.88 57.70 1qay h LEU 131 Cb 0.04 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1qay h LEU 131 CO -0.05 0.70 0.35 -0.07 0.09 0.00 0.00 178.44 179.46 1qay h LEU 132 N -0.38 0.59 -0.61 1.67 3.38 -1.24 -1.16 115.31 117.57 1qay h LEU 132 Ca 0.00 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1qay h LEU 132 Cb 0.67 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1qay h LEU 132 CO 0.02 0.42 -0.39 0.08 0.09 0.00 0.00 178.44 178.67 1qay h ARG 133 N 0.69 0.00 -0.45 1.13 0.11 -1.20 -3.06 114.38 111.60 1qay h ARG 133 Ca 0.20 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 60.06 1qay h ARG 133 Cb -0.05 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 30.90 1qay h ARG 133 CO -0.04 0.39 0.04 0.54 0.10 0.00 0.00 179.97 180.99 1qay n ARG 134 N -3.38 2.02 0.11 0.08 1.74 -0.83 -4.77 116.66 111.64 1qay n ARG 134 Ca 0.01 -3.13 -0.13 0.00 -0.77 0.00 0.00 57.85 53.83 1qay n ARG 134 Cb 0.58 -1.88 -0.06 0.00 -1.02 0.00 0.00 32.46 30.08 1qay n ARG 134 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1qay h LYS 135 N 1.10 -0.29 -0.26 5.56 3.64 -1.13 -2.73 116.57 122.46 1qay h LYS 135 Ca 0.27 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.74 1qay h LYS 135 Cb 1.83 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.71 1qay h LYS 135 CO 0.49 -0.19 0.22 -0.44 -2.27 0.00 0.00 179.45 177.26 1qay h ASP 136 N -0.30 0.00 0.15 4.20 3.32 -1.86 -0.50 116.42 121.44 1qay h ASP 136 Ca 0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1qay h ASP 136 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1qay h ASP 136 CO -0.05 0.00 -0.07 -0.33 -1.72 0.00 0.00 179.24 177.07 1qay h GLU 137 N 0.00 -0.20 -0.78 3.56 5.08 -1.87 -2.11 114.58 118.27 1qay h GLU 137 Ca 0.12 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.59 1qay h GLU 137 Cb 0.56 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.81 1qay h GLU 137 CO -0.00 0.18 0.51 0.82 -1.00 0.00 0.00 179.01 179.51 1qay h ILE 138 N -0.62 0.94 0.02 3.13 2.04 -1.18 -2.14 117.51 119.70 1qay h ILE 138 Ca -0.02 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 1qay h ILE 138 Cb 0.47 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1qay h ILE 138 CO 0.03 0.13 -0.01 0.40 0.00 0.00 0.00 178.15 178.70 1qay h ILE 139 N 0.70 1.32 -0.48 -0.67 2.04 -1.11 -2.83 117.51 116.48 1qay h ILE 139 Ca 0.36 -1.07 0.07 0.00 1.00 0.00 0.00 64.86 65.22 1qay h ILE 139 Cb 0.45 2.03 -0.06 0.00 -0.74 0.00 0.00 36.82 38.50 1qay h ILE 139 CO -0.13 0.27 0.13 -0.33 0.00 0.00 0.00 178.15 178.09 1qay h GLU 140 N -0.50 0.27 -0.98 2.37 5.08 -1.06 -1.76 114.58 118.00 1qay h GLU 140 Ca -0.00 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1qay h GLU 140 Cb 0.47 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 1qay h GLU 140 CO 0.01 0.18 0.64 1.25 -1.00 0.00 0.00 179.01 180.08 1qay h LEU 141 N 0.27 1.13 -0.15 1.33 5.85 -1.46 -0.75 115.31 121.55 1qay h LEU 141 Ca 0.23 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1qay h LEU 141 Cb 0.28 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1qay h LEU 141 CO -0.28 0.83 0.07 0.00 -0.34 0.00 0.00 178.44 178.72 1qay h ALA 142 N 1.37 0.19 -0.42 1.25 0.00 -1.13 -3.21 119.26 117.31 1qay h ALA 142 Ca 0.36 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 1qay h ALA 142 Cb -0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1qay h ALA 142 CO -0.08 -0.24 -0.08 -0.91 0.00 0.00 0.00 179.25 177.94 1qay h ASN 143 N 0.10 0.80 -0.46 0.00 2.35 -1.13 -3.00 115.58 114.23 1qay h ASN 143 Ca 0.05 -0.35 0.13 0.00 -0.55 0.00 0.00 56.30 55.58 1qay h ASN 143 Cb 0.13 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 1qay h ASN 143 CO -0.01 0.97 0.61 0.03 -1.65 0.00 0.00 177.43 177.38 1qay h ARG 144 N 0.62 0.00 0.02 0.81 3.08 -1.14 -0.51 114.38 117.27 1qay h ARG 144 Ca 0.11 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 1qay h ARG 144 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 1qay h ARG 144 CO 0.04 0.00 -0.01 -0.22 -1.07 0.00 0.00 179.97 178.71 1qay h LYS 145 N 0.00 -0.03 -2.81 0.04 3.64 -1.57 -3.39 116.57 112.45 1qay h LYS 145 Ca 0.22 0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 58.89 1qay h LYS 145 Cb 1.44 0.01 -0.34 0.00 -0.41 0.00 0.00 32.23 32.92 1qay h LYS 145 CO -0.00 0.71 0.11 -3.47 -2.27 0.00 0.00 179.45 174.53 1qay n ASP 146 N -4.73 4.98 0.13 4.20 -0.08 -0.21 -4.86 116.55 115.99 1qay n ASP 146 Ca -0.09 -3.34 -0.01 0.00 -1.51 0.00 0.00 54.79 49.84 1qay n ASP 146 Cb 0.36 -1.03 0.19 0.00 2.34 0.00 0.00 41.12 42.99 1qay n ASP 146 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1qay h GLN 147 N 5.21 0.07 -0.61 -0.67 1.08 -1.74 -2.87 115.11 115.59 1qay h GLN 147 Ca 0.19 -0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.38 1qay h GLN 147 Cb 0.69 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.09 1qay h GLN 147 CO 1.04 0.61 0.40 1.25 -0.95 0.00 0.00 178.83 181.19 1qay h LEU 148 N 0.05 0.62 -0.80 1.46 7.12 -1.90 -1.03 115.31 120.83 1qay h LEU 148 Ca -0.00 -0.01 -0.05 0.00 0.13 0.00 0.00 57.88 57.95 1qay h LEU 148 Cb 1.00 -0.15 -0.03 0.00 -0.53 0.00 0.00 40.66 40.96 1qay h LEU 148 CO 0.08 0.43 0.27 0.25 -0.13 0.00 0.00 178.44 179.34 1qay h LEU 149 N 0.72 1.08 -1.53 2.25 5.85 -1.90 -2.24 115.31 119.56 1qay h LEU 149 Ca 0.24 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1qay h LEU 149 Cb 0.07 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 1qay h LEU 149 CO -0.07 0.98 -0.24 0.78 -0.34 0.00 0.00 178.44 179.55 1qay h ASN 150 N 1.12 0.00 -0.09 1.25 4.21 -1.24 0.93 115.58 121.77 1qay h ASN 150 Ca 0.25 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.66 1qay h ASN 150 Cb 0.26 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.45 1qay h ASN 150 CO -0.01 0.24 -0.26 0.28 -1.29 0.00 0.00 177.43 176.38 1qay h SER 151 N 0.00 0.54 0.22 5.81 0.02 -0.73 -2.55 113.55 116.87 1qay h SER 151 Ca -0.00 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1qay h SER 151 Cb 0.51 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1qay h SER 151 CO 0.03 0.79 -0.10 0.18 -1.14 0.00 0.00 176.83 176.60 1qay n LEU 152 N -4.11 0.70 0.00 5.07 4.32 -0.80 -4.91 117.00 117.26 1qay n LEU 152 Ca -0.00 -0.13 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 1qay n LEU 152 Cb 0.42 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 42.11 1qay n LEU 152 CO 0.43 0.12 0.00 0.61 -1.22 0.00 0.00 177.39 177.33 1qay n GLY 153 N 1.23 0.82 0.00 -0.72 0.00 -0.96 -5.06 105.19 100.51 1qay n GLY 153 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1qay n GLY 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qay n GLY 154 N -2.06 1.52 0.00 -0.02 0.00 0.26 -4.96 105.19 99.92 1qay n GLY 154 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.25 1qay n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qay n GLY 155 N 5.00 1.97 3.74 -0.02 0.00 0.04 -4.30 105.19 111.62 1qay n GLY 155 Ca 0.00 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 1qay n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qay n ARG 157 N 1.19 0.11 -3.47 0.00 5.12 -0.51 -4.85 116.66 114.25 1qay n ARG 157 Ca 0.05 0.03 -0.12 0.00 -1.93 0.00 0.00 57.85 55.88 1qay n ARG 157 Cb 0.37 -0.99 -0.03 0.00 -1.16 0.00 0.00 32.46 30.65 1qay n ARG 157 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1qay s ASP 158 N -4.68 -0.53 -0.07 0.55 2.15 -1.21 -5.05 116.67 107.82 1qay s ASP 158 Ca -0.06 0.18 0.03 0.00 0.43 0.00 0.00 52.55 53.12 1qay s ASP 158 Cb 0.02 0.52 -0.02 0.00 -0.30 0.00 0.00 42.92 43.14 1qay s ASP 158 CO 0.10 -0.78 -0.16 -0.63 -0.17 0.00 0.00 175.17 173.53 1qay s ILE 159 N -2.91 2.86 -0.25 4.11 1.09 -1.26 -1.36 121.20 123.48 1qay s ILE 159 Ca -0.01 -0.77 0.00 0.00 -1.10 0.00 0.00 60.65 58.77 1qay s ILE 159 Cb -0.01 -2.13 0.07 0.00 -1.06 0.00 0.00 42.46 39.33 1qay s ILE 159 CO -0.06 0.57 0.00 -1.61 -0.10 0.00 0.00 174.94 173.74 1qay s GLU 160 N -0.30 1.25 -0.14 2.79 2.02 -0.33 -4.94 118.70 119.05 1qay s GLU 160 Ca 0.02 -1.01 -0.18 0.00 0.02 0.00 0.00 54.97 53.82 1qay s GLU 160 Cb -0.13 -2.45 -0.04 0.00 0.10 0.00 0.00 34.13 31.61 1qay s GLU 160 CO 0.03 -0.72 0.48 0.08 0.02 0.00 0.00 175.26 175.14 1qay s VAL 161 N 1.47 5.18 0.17 2.63 1.01 -1.26 -0.31 120.40 129.28 1qay s VAL 161 Ca 0.00 0.93 0.11 0.00 0.00 0.00 0.00 61.98 63.02 1qay s VAL 161 Cb -0.18 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1qay s VAL 161 CO -0.11 0.30 -0.23 -1.00 0.00 0.00 0.00 175.10 174.06 1qay s HIS 162 N 0.81 2.16 0.16 5.22 3.76 -0.41 -4.98 115.29 122.02 1qay s HIS 162 Ca 0.25 -0.39 0.09 0.00 -0.15 0.00 0.00 55.06 54.87 1qay s HIS 162 Cb -0.15 -1.10 -0.04 0.00 1.11 0.00 0.00 32.58 32.40 1qay s HIS 162 CO 0.10 0.42 -0.20 0.95 -0.85 0.00 0.00 174.74 175.15 1qay s THR 163 N -1.61 1.96 -0.40 1.30 -4.23 -1.26 -0.98 115.64 110.42 1qay s THR 163 Ca 0.18 -1.90 0.03 0.00 -1.18 0.00 0.00 61.69 58.82 1qay s THR 163 Cb -0.08 -1.89 0.16 0.00 1.34 0.00 0.00 72.50 72.04 1qay s THR 163 CO 0.08 -0.22 0.33 -0.36 -0.54 0.00 0.00 174.62 173.92 1qay s PHE 164 N -1.81 0.79 -1.14 3.99 0.40 -0.79 -4.96 117.98 114.46 1qay s PHE 164 Ca 0.16 -2.02 0.25 0.00 -0.60 0.00 0.00 56.93 54.72 1qay s PHE 164 Cb -0.07 -0.82 1.12 0.00 0.51 0.00 0.00 43.02 43.76 1qay s PHE 164 CO 0.07 -0.86 1.81 0.00 0.70 0.00 0.00 175.22 176.94 1qay n ALA 165 N 3.16 2.17 -0.63 5.36 0.00 -1.26 -1.12 120.51 128.19 1qay n ALA 165 Ca 0.25 -0.10 0.07 0.00 0.00 0.00 0.00 53.44 53.66 1qay n ALA 165 Cb 0.46 -1.40 0.36 0.00 0.00 0.00 0.00 19.45 18.87 1qay n ALA 165 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1qay n ASP 166 N -1.43 5.03 -4.76 0.00 5.75 -1.26 -4.39 116.55 115.49 1qay n ASP 166 Ca 0.08 -2.69 -0.40 0.00 -0.01 0.00 0.00 54.79 51.77 1qay n ASP 166 Cb 0.26 -0.63 -0.04 0.00 -1.03 0.00 0.00 41.12 39.68 1qay n ASP 166 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1qay s THR 167 N -2.32 3.25 0.45 2.12 2.01 -1.20 -4.93 115.64 115.03 1qay s THR 167 Ca 0.49 1.26 0.17 0.00 0.31 0.00 0.00 61.69 63.92 1qay s THR 167 Cb 0.35 -3.79 0.35 0.00 0.01 0.00 0.00 72.50 69.42 1qay s THR 167 CO 0.18 0.29 1.96 -0.65 -0.69 0.00 0.00 174.62 175.71 1qay h PRO 168 N 3.64 0.32 -1.49 4.92 0.11 -1.94 -2.33 132.00 135.22 1qay h PRO 168 Ca -0.47 -0.02 -0.70 0.00 0.11 0.00 0.00 66.00 64.92 1qay h PRO 168 Cb 1.22 -0.07 -0.31 0.00 0.11 0.00 0.00 31.00 31.94 1qay h PRO 168 CO 0.66 0.21 0.61 0.54 -0.21 0.00 0.00 178.00 179.81 1qay n ARG 169 N -4.46 2.89 0.00 1.05 1.74 -1.26 -5.05 116.66 111.58 1qay n ARG 169 Ca 0.12 -3.63 0.00 0.00 -0.77 0.00 0.00 57.85 53.57 1qay n ARG 169 Cb 0.48 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.65 1qay n ARG 169 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qay n GLY 170 N -0.68 -1.28 3.77 -0.13 0.00 -0.88 -4.94 105.19 101.06 1qay n GLY 170 Ca 0.54 -1.58 -0.36 0.00 0.00 0.00 0.00 46.02 44.62 1qay n GLY 170 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qay s PRO 171 N -1.38 3.33 0.13 1.61 0.04 -1.26 -3.85 135.00 133.62 1qay s PRO 171 Ca 0.00 1.76 0.04 0.00 0.04 0.00 0.00 61.00 62.84 1qay s PRO 171 Cb 0.00 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 1qay s PRO 171 CO 0.00 -0.90 -0.09 -1.64 0.04 0.00 0.00 177.00 174.40 1qay s MET 172 N -3.13 0.98 -0.21 4.56 -1.94 -0.28 -4.42 119.30 114.86 1qay s MET 172 Ca 0.72 -1.39 -0.01 0.00 -1.71 0.00 0.00 55.69 53.30 1qay s MET 172 Cb -0.28 -0.51 0.06 0.00 2.01 0.00 0.00 34.83 36.11 1qay s MET 172 CO 0.32 0.05 0.00 -1.17 -0.01 0.00 0.00 175.02 174.21 1qay s LEU 173 N -3.04 1.72 -0.38 -0.03 2.96 -0.07 -1.89 118.68 117.96 1qay s LEU 173 Ca 0.14 -0.95 -0.04 0.00 -0.22 0.00 0.00 54.13 53.05 1qay s LEU 173 Cb 0.03 -0.82 0.08 0.00 0.50 0.00 0.00 46.19 45.97 1qay s LEU 173 CO -0.01 -0.28 0.15 -0.69 -1.32 0.00 0.00 176.35 174.21 1qay s VAL 174 N 1.68 3.48 0.14 1.68 1.01 -0.15 -0.30 120.40 127.95 1qay s VAL 174 Ca -0.03 -1.63 -0.19 0.00 0.00 0.00 0.00 61.98 60.13 1qay s VAL 174 Cb -0.18 -3.18 -0.07 0.00 0.00 0.00 0.00 36.38 32.95 1qay s VAL 174 CO -0.07 -0.44 0.63 0.00 0.00 0.00 0.00 175.10 175.22 1qay s ALA 175 N 1.26 3.52 -0.17 5.51 0.00 -1.15 -1.28 121.76 129.45 1qay s ALA 175 Ca 0.02 0.07 -0.02 0.00 0.00 0.00 0.00 51.96 52.03 1qay s ALA 175 Cb -0.22 -2.70 -0.01 0.00 0.00 0.00 0.00 23.12 20.19 1qay s ALA 175 CO -0.01 0.38 -0.08 -1.01 0.00 0.00 0.00 175.76 175.03 1qay s HIS 176 N -1.31 2.90 -0.74 0.00 3.76 0.57 -1.50 115.29 118.96 1qay s HIS 176 Ca 0.36 -0.73 -0.15 0.00 -0.15 0.00 0.00 55.06 54.39 1qay s HIS 176 Cb -0.18 -1.96 0.19 0.00 1.11 0.00 0.00 32.58 31.74 1qay s HIS 176 CO 0.20 -0.33 0.69 -0.51 -0.85 0.00 0.00 174.74 173.95 1qay s LEU 177 N 0.80 6.56 -0.94 0.89 1.43 -0.56 -1.19 118.68 125.67 1qay s LEU 177 Ca -0.03 -2.40 -0.24 0.00 -1.03 0.00 0.00 54.13 50.43 1qay s LEU 177 Cb -0.15 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 43.84 1qay s LEU 177 CO 0.01 -0.67 1.79 -0.63 0.23 0.00 0.00 176.35 177.08 1qay s ILE 178 N 0.65 3.60 -0.17 -0.59 1.01 -0.46 -1.64 121.20 123.60 1qay s ILE 178 Ca 0.14 -0.49 -0.14 0.00 0.00 0.00 0.00 60.65 60.15 1qay s ILE 178 Cb -0.16 -4.34 -0.05 0.00 0.01 0.00 0.00 42.46 37.92 1qay s ILE 178 CO -0.05 -1.26 0.31 -0.69 0.00 0.00 0.00 174.94 173.25 1qay s VAL 179 N 8.46 5.29 -0.73 2.92 1.01 0.69 -1.43 120.40 136.60 1qay s VAL 179 Ca 0.62 0.58 -0.23 0.00 0.00 0.00 0.00 61.98 62.96 1qay s VAL 179 Cb -0.05 -3.65 0.07 0.00 0.00 0.00 0.00 36.38 32.75 1qay s VAL 179 CO -0.04 0.36 1.08 -0.62 0.00 0.00 0.00 175.10 175.88 1qay s ASP 180 N 0.59 6.25 1.08 3.32 -1.08 0.08 -1.28 116.67 125.64 1qay s ASP 180 Ca 0.17 -1.06 -0.17 0.00 -0.52 0.00 0.00 52.55 50.98 1qay s ASP 180 Cb -0.13 -2.45 0.23 0.00 -1.46 0.00 0.00 42.92 39.11 1qay s ASP 180 CO 0.05 -1.47 1.15 1.33 0.52 0.00 0.00 175.17 176.75 1qay n VAL 181 N 6.02 0.00 0.00 1.11 0.24 -0.23 -0.78 118.33 124.69 1qay n VAL 181 Ca 0.04 -0.74 0.00 0.00 -2.04 0.00 0.00 64.34 61.59 1qay n VAL 181 Cb 0.47 -1.43 0.00 0.00 -1.47 0.00 0.00 33.84 31.41 1qay n VAL 181 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1qay n ARG 182 N -3.95 0.00 -0.51 7.34 5.12 -1.26 -4.53 116.66 118.86 1qay n ARG 182 Ca 0.15 0.00 0.10 0.00 -1.93 0.00 0.00 57.85 56.17 1qay n ARG 182 Cb 0.54 0.00 0.33 0.00 -1.16 0.00 0.00 32.46 32.17 1qay n ARG 182 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1qay n ASP 183 N 0.00 4.39 -4.67 0.55 8.00 -1.26 -4.62 116.55 118.93 1qay n ASP 183 Ca 0.00 -2.33 -0.27 0.00 0.71 0.00 0.00 54.79 52.90 1qay n ASP 183 Cb 0.00 -0.53 -0.08 0.00 -0.02 0.00 0.00 41.12 40.50 1qay n ASP 183 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qay s ALA 184 N -1.62 3.23 0.49 2.24 0.00 -1.26 -0.14 121.76 124.69 1qay s ALA 184 Ca 0.48 -1.31 0.14 0.00 0.00 0.00 0.00 51.96 51.26 1qay s ALA 184 Cb 0.30 -1.04 1.14 0.00 0.00 0.00 0.00 23.12 23.51 1qay s ALA 184 CO 0.25 0.52 2.11 1.98 0.00 0.00 0.00 175.76 180.63 1qay h MET 185 N 2.84 0.12 0.00 0.00 4.05 -1.91 -3.45 114.93 116.58 1qay h MET 185 Ca -0.47 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.94 1qay h MET 185 Cb 1.20 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.97 1qay h MET 185 CO 0.58 0.11 0.00 0.41 0.23 0.00 0.00 176.91 178.24 1qay n GLY 186 N -1.45 0.71 0.15 1.39 0.00 -1.26 -4.86 105.19 99.86 1qay n GLY 186 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 1qay n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qay h ALA 187 N 0.00 -0.42 -0.38 4.61 0.00 -1.99 0.12 119.26 121.20 1qay h ALA 187 Ca 0.00 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1qay h ALA 187 Cb 0.00 0.89 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1qay h ALA 187 CO 0.00 -0.51 -0.35 -0.91 0.00 0.00 0.00 179.25 177.47 1qay h ASN 188 N -0.11 0.94 -0.40 0.00 2.35 -1.98 -1.60 115.58 114.78 1qay h ASN 188 Ca 0.03 -0.42 0.05 0.00 -0.55 0.00 0.00 56.30 55.41 1qay h ASN 188 Cb 0.19 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.25 1qay h ASN 188 CO -0.21 1.20 0.13 0.74 -1.65 0.00 0.00 177.43 177.63 1qay h THR 189 N 0.74 0.86 -0.04 2.81 2.02 -1.93 -2.26 112.91 115.11 1qay h THR 189 Ca 0.07 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1qay h THR 189 Cb 0.93 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1qay h THR 189 CO 0.09 0.05 -0.03 0.58 0.37 0.00 0.00 175.52 176.57 1qay h VAL 190 N 0.29 1.38 -0.94 3.16 2.07 -0.75 -3.16 116.25 118.30 1qay h VAL 190 Ca 0.19 -1.17 0.16 0.00 0.82 0.00 0.00 66.70 66.70 1qay h VAL 190 Cb 0.18 2.08 -0.08 0.00 -1.52 0.00 0.00 31.29 31.95 1qay h VAL 190 CO -0.20 0.32 0.60 0.78 0.02 0.00 0.00 177.57 179.09 1qay h ASN 191 N -0.37 0.69 -0.18 0.57 4.21 -1.20 -1.36 115.58 117.94 1qay h ASN 191 Ca 0.01 0.06 -0.05 0.00 1.21 0.00 0.00 56.30 57.52 1qay h ASN 191 Cb 0.53 -0.07 -0.00 0.00 -1.12 0.00 0.00 38.32 37.65 1qay h ASN 191 CO 0.01 0.31 -0.09 0.74 -1.29 0.00 0.00 177.43 177.11 1qay h THR 192 N 0.70 1.31 -0.52 2.81 2.02 -1.46 -2.64 112.91 115.13 1qay h THR 192 Ca 0.50 -1.14 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 1qay h THR 192 Cb 0.82 1.67 -0.03 0.00 -1.74 0.00 0.00 68.15 68.88 1qay h THR 192 CO -0.26 0.34 0.27 0.24 0.37 0.00 0.00 175.52 176.49 1qay h MET 193 N 0.07 0.71 -0.46 6.66 2.86 -1.35 0.29 114.93 123.71 1qay h MET 193 Ca 0.04 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1qay h MET 193 Cb 0.57 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 1qay h MET 193 CO 0.03 0.53 0.17 0.00 1.06 0.00 0.00 176.91 178.70 1qay h ALA 194 N 1.58 0.60 0.00 6.32 0.00 -1.20 -1.78 119.26 124.79 1qay h ALA 194 Ca 0.18 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1qay h ALA 194 Cb 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1qay h ALA 194 CO -0.03 0.23 0.00 0.93 0.00 0.00 0.00 179.25 180.38 1qay h GLU 195 N 0.61 0.00 0.05 0.00 5.08 -1.06 -2.42 114.58 116.84 1qay h GLU 195 Ca 0.15 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.29 1qay h GLU 195 Cb 0.22 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.49 1qay h GLU 195 CO -0.01 0.00 -0.89 0.00 -1.00 0.00 0.00 179.01 177.11 1qay h ALA 196 N 2.13 0.04 0.00 3.43 0.00 -0.51 -3.31 119.26 121.03 1qay h ALA 196 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1qay h ALA 196 Cb 0.75 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1qay h ALA 196 CO 0.00 0.51 -0.53 0.28 0.00 0.00 0.00 179.25 179.51 1qay h VAL 197 N 0.06 0.00 -0.93 0.00 2.07 -1.37 -3.39 116.25 112.69 1qay h VAL 197 Ca -0.12 -0.61 0.25 0.00 0.82 0.00 0.00 66.70 67.04 1qay h VAL 197 Cb 1.59 1.28 -0.17 0.00 -1.52 0.00 0.00 31.29 32.48 1qay h VAL 197 CO 0.17 0.00 0.07 0.00 0.02 0.00 0.00 177.57 177.83 1qay h ALA 198 N 2.39 1.14 -0.45 1.67 0.00 -1.52 -1.07 119.26 121.42 1qay h ALA 198 Ca 0.00 0.30 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 1qay h ALA 198 Cb 0.80 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1qay h ALA 198 CO 0.00 -0.53 0.10 -1.00 0.00 0.00 0.00 179.25 177.82 1qay h PRO 199 N 0.06 0.72 -0.24 0.00 0.13 -1.80 -2.59 132.00 128.28 1qay h PRO 199 Ca 0.56 -0.18 -0.02 0.00 -0.87 0.00 0.00 66.00 65.50 1qay h PRO 199 Cb 1.14 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1qay h PRO 199 CO -0.83 0.73 0.07 1.25 -0.23 0.00 0.00 178.00 178.99 1qay h LEU 200 N 0.59 0.34 -1.10 1.56 5.85 -1.50 -1.87 115.31 119.19 1qay h LEU 200 Ca 0.14 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.67 1qay h LEU 200 Cb 0.33 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 1qay h LEU 200 CO 0.00 0.46 0.61 0.24 -0.34 0.00 0.00 178.44 179.41 1qay h MET 201 N 0.21 1.19 -0.04 1.25 2.86 -1.44 -1.47 114.93 117.50 1qay h MET 201 Ca 0.08 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 1qay h MET 201 Cb 0.23 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1qay h MET 201 CO -0.00 0.79 -0.28 1.49 1.06 0.00 0.00 176.91 179.97 1qay h GLU 202 N 1.23 0.06 -0.04 1.72 4.81 -1.30 -1.62 114.58 119.44 1qay h GLU 202 Ca 0.34 -0.02 -0.24 0.00 -0.13 0.00 0.00 59.36 59.31 1qay h GLU 202 Cb -0.11 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.28 1qay h GLU 202 CO -0.08 0.34 -0.94 0.00 -0.73 0.00 0.00 179.01 177.59 1qay h ALA 203 N 1.67 0.26 0.30 2.92 0.00 -0.46 -2.16 119.26 121.78 1qay h ALA 203 Ca 0.01 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 1qay h ALA 203 Cb 0.52 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1qay h ALA 203 CO 0.04 0.72 -0.14 0.82 0.00 0.00 0.00 179.25 180.69 1qay h ILE 204 N 0.38 0.50 0.00 0.00 2.04 -1.03 -3.32 117.51 116.07 1qay h ILE 204 Ca -0.10 -0.81 -0.00 0.00 1.00 0.00 0.00 64.86 64.95 1qay h ILE 204 Cb 1.58 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 38.47 1qay h ILE 204 CO 0.18 0.12 -0.02 0.71 0.00 0.00 0.00 178.15 179.14 1qay h THR 205 N -0.95 0.04 -0.10 -0.27 1.35 -1.46 -3.47 112.91 108.05 1qay h THR 205 Ca -0.04 -0.82 -0.04 0.00 -0.55 0.00 0.00 66.41 64.95 1qay h THR 205 Cb 0.50 1.79 -0.02 0.00 -1.73 0.00 0.00 68.15 68.69 1qay h THR 205 CO 0.07 0.02 -0.04 0.61 -0.25 0.00 0.00 175.52 175.93 1qay n GLY 206 N 0.61 0.50 0.00 5.82 0.00 -0.81 -4.94 105.19 106.37 1qay n GLY 206 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1qay n GLY 206 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qay n GLY 207 N -1.71 0.92 2.74 -0.02 0.00 -1.23 -4.83 105.19 101.05 1qay n GLY 207 Ca -0.02 -1.85 -0.29 0.00 0.00 0.00 0.00 46.02 43.85 1qay n GLY 207 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1qay s GLN 208 N 1.86 0.74 0.29 1.61 0.74 0.73 -4.87 119.66 120.76 1qay s GLN 208 Ca 0.00 -0.87 -0.30 0.00 0.05 0.00 0.00 55.36 54.24 1qay s GLN 208 Cb 0.00 -2.03 -0.12 0.00 1.10 0.00 0.00 33.01 31.97 1qay s GLN 208 CO 0.00 -0.87 1.55 0.28 -0.55 0.00 0.00 175.29 175.70 1qay n VAL 209 N 4.91 1.08 0.00 1.34 0.31 -1.26 -2.17 118.33 122.53 1qay n VAL 209 Ca -0.05 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 1qay n VAL 209 Cb 0.43 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 1qay n VAL 209 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1qay n ARG 210 N 2.02 0.00 -2.65 5.55 5.12 0.11 -4.93 116.66 121.88 1qay n ARG 210 Ca 0.09 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.66 1qay n ARG 210 Cb 0.36 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.61 1qay n ARG 210 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1qay s LEU 211 N 0.00 4.01 -0.42 0.55 1.43 -1.26 -4.89 118.68 118.10 1qay s LEU 211 Ca 0.00 1.88 0.06 0.00 -1.03 0.00 0.00 54.13 55.03 1qay s LEU 211 Cb 0.00 -4.39 0.20 0.00 0.03 0.00 0.00 46.19 42.03 1qay s LEU 211 CO 0.00 -0.50 0.47 0.54 0.23 0.00 0.00 176.35 177.09 1qay n ARG 212 N -0.45 0.41 -4.20 1.70 1.74 -1.25 -1.82 116.66 112.80 1qay n ARG 212 Ca 0.07 -2.97 -0.12 0.00 -0.77 0.00 0.00 57.85 54.05 1qay n ARG 212 Cb 0.52 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.36 1qay n ARG 212 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1qay s ILE 213 N -0.17 0.88 0.81 0.55 1.10 -1.08 -4.73 121.20 118.55 1qay s ILE 213 Ca 0.33 -1.94 -0.12 0.00 -0.51 0.00 0.00 60.65 58.42 1qay s ILE 213 Cb 0.08 -1.69 0.08 0.00 0.15 0.00 0.00 42.46 41.08 1qay s ILE 213 CO -0.16 -0.79 1.12 -1.48 -2.11 0.00 0.00 174.94 171.51 1qay s LEU 214 N -3.01 2.49 -0.20 8.50 2.34 -1.26 -0.41 118.68 127.13 1qay s LEU 214 Ca 0.13 1.14 -0.03 0.00 0.06 0.00 0.00 54.13 55.43 1qay s LEU 214 Cb 0.03 -3.70 -0.01 0.00 -0.56 0.00 0.00 46.19 41.96 1qay s LEU 214 CO -0.02 -2.01 -0.07 -0.55 -1.06 0.00 0.00 176.35 172.64 1qay s SER 215 N -4.07 4.22 0.32 1.48 0.15 -0.96 -4.82 113.70 110.02 1qay s SER 215 Ca 0.61 -0.37 0.26 0.00 0.70 0.00 0.00 55.95 57.15 1qay s SER 215 Cb -0.14 -1.70 1.07 0.00 -1.71 0.00 0.00 66.02 63.54 1qay s SER 215 CO 0.53 0.03 1.77 0.78 1.20 0.00 0.00 173.24 177.55 1qay h ASN 216 N 7.71 0.00 0.00 5.45 2.35 -1.94 -3.34 115.58 125.81 1qay h ASN 216 Ca -0.38 0.00 -0.71 0.00 -0.55 0.00 0.00 56.30 54.66 1qay h ASN 216 Cb 1.17 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.50 1qay h ASN 216 CO 0.60 0.00 3.15 -0.11 -1.65 0.00 0.00 177.43 179.42 1qay n LEU 217 N -2.41 6.89 -3.87 1.61 7.94 -1.26 -3.89 117.00 122.01 1qay n LEU 217 Ca 0.02 -4.14 -0.42 0.00 -1.11 0.00 0.00 56.01 50.36 1qay n LEU 217 Cb 0.24 -1.66 -0.01 0.00 0.53 0.00 0.00 43.42 42.52 1qay n LEU 217 CO 0.21 1.12 2.41 0.00 -1.11 0.00 0.00 177.39 180.03 1qay n ALA 218 N 6.07 4.63 1.70 1.96 0.00 -1.25 -4.69 120.51 128.91 1qay n ALA 218 Ca 0.52 -3.72 0.12 0.00 0.00 0.00 0.00 53.44 50.36 1qay n ALA 218 Cb 0.39 -3.57 0.69 0.00 0.00 0.00 0.00 19.45 16.96 1qay n ALA 218 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1qay n ASP 219 N 7.09 0.00 -0.17 0.00 3.85 -1.26 -2.50 116.55 123.57 1qay n ASP 219 Ca 0.51 -0.97 0.09 0.00 -0.71 0.00 0.00 54.79 53.71 1qay n ASP 219 Cb 0.41 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 40.11 1qay n ASP 219 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1qay n LEU 220 N -0.93 1.24 -3.28 -2.12 4.77 -1.26 -4.57 117.00 110.85 1qay n LEU 220 Ca 0.17 -0.61 -0.29 0.00 -0.03 0.00 0.00 56.01 55.26 1qay n LEU 220 Cb 0.08 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 1qay n LEU 220 CO 0.13 0.27 0.27 -1.14 -1.33 0.00 0.00 177.39 175.58 1qay n ARG 221 N -0.88 3.15 -2.96 3.23 0.63 -1.04 -4.17 116.66 114.62 1qay n ARG 221 Ca 0.05 -4.75 -0.31 0.00 -0.92 0.00 0.00 57.85 51.93 1qay n ARG 221 Cb 0.33 -2.28 -0.04 0.00 0.45 0.00 0.00 32.46 30.92 1qay n ARG 221 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1qay s LEU 222 N -3.03 3.91 -0.03 6.15 1.43 -1.26 -1.03 118.68 124.82 1qay s LEU 222 Ca 0.43 1.16 0.03 0.00 -1.03 0.00 0.00 54.13 54.72 1qay s LEU 222 Cb 0.20 -4.02 0.00 0.00 0.03 0.00 0.00 46.19 42.40 1qay s LEU 222 CO -0.06 -0.33 -0.10 0.00 0.23 0.00 0.00 176.35 176.08 1qay s ALA 223 N -2.25 0.94 0.23 4.21 0.00 -0.79 -2.43 121.76 121.68 1qay s ALA 223 Ca 0.52 -0.38 0.11 0.00 0.00 0.00 0.00 51.96 52.20 1qay s ALA 223 Cb -0.10 -0.34 -0.05 0.00 0.00 0.00 0.00 23.12 22.63 1qay s ALA 223 CO 0.27 0.16 -0.15 1.03 0.00 0.00 0.00 175.76 177.07 1qay s ARG 224 N 0.15 1.83 -0.22 0.00 0.52 0.82 -2.94 118.95 119.10 1qay s ARG 224 Ca -0.03 -1.54 -0.18 0.00 -0.52 0.00 0.00 55.73 53.46 1qay s ARG 224 Cb -0.09 -1.94 0.06 0.00 0.52 0.00 0.00 34.95 33.50 1qay s ARG 224 CO 0.01 0.38 0.58 0.00 0.02 0.00 0.00 175.30 176.29 1qay s ALA 225 N -2.08 -1.47 0.12 2.13 0.00 -0.69 -2.65 121.76 117.11 1qay s ALA 225 Ca 0.27 1.77 0.05 0.00 0.00 0.00 0.00 51.96 54.05 1qay s ALA 225 Cb -0.07 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.98 1qay s ALA 225 CO 0.15 -0.29 -0.13 -0.65 0.00 0.00 0.00 175.76 174.83 1qay s GLN 226 N 0.67 0.99 0.10 0.00 -0.21 0.11 -1.27 119.66 120.04 1qay s GLN 226 Ca -0.03 -1.22 -0.07 0.00 0.02 0.00 0.00 55.36 54.07 1qay s GLN 226 Cb -0.05 -0.83 -0.01 0.00 1.00 0.00 0.00 33.01 33.12 1qay s GLN 226 CO -0.04 0.16 0.16 0.14 -2.12 0.00 0.00 175.29 173.59 1qay s VAL 227 N -2.17 0.14 -0.06 1.09 -7.23 -0.66 -2.55 120.40 108.96 1qay s VAL 227 Ca 0.08 -1.37 -0.02 0.00 -1.81 0.00 0.00 61.98 58.86 1qay s VAL 227 Cb -0.05 -1.51 0.04 0.00 0.56 0.00 0.00 36.38 35.43 1qay s VAL 227 CO 0.02 -0.63 0.12 -0.60 -0.31 0.00 0.00 175.10 173.70 1qay s ARG 228 N -3.90 0.03 -0.22 4.82 3.52 -1.26 -2.62 118.95 119.32 1qay s ARG 228 Ca 0.09 0.40 0.01 0.00 -0.13 0.00 0.00 55.73 56.10 1qay s ARG 228 Cb 0.05 -0.26 0.05 0.00 -1.56 0.00 0.00 34.95 33.23 1qay s ARG 228 CO -0.08 -0.23 -0.10 0.42 -0.81 0.00 0.00 175.30 174.51 1qay s ILE 229 N 1.60 1.73 0.25 4.11 -1.09 0.20 -4.74 121.20 123.26 1qay s ILE 229 Ca -0.04 -1.16 -0.30 0.00 -2.23 0.00 0.00 60.65 56.92 1qay s ILE 229 Cb -0.12 -1.84 -0.10 0.00 -1.58 0.00 0.00 42.46 38.82 1qay s ILE 229 CO -0.05 0.09 1.34 -0.89 -1.23 0.00 0.00 174.94 174.21 1qay s THR 230 N 1.34 2.91 0.35 2.92 2.01 -1.26 -1.91 115.64 121.99 1qay s THR 230 Ca -0.03 0.80 0.09 0.00 0.31 0.00 0.00 61.69 62.85 1qay s THR 230 Cb -0.17 -3.51 0.32 0.00 0.01 0.00 0.00 72.50 69.15 1qay s THR 230 CO -0.07 0.14 1.84 1.55 -0.69 0.00 0.00 174.62 177.39 1qay h PRO 231 N 4.70 0.67 -0.05 4.92 0.13 -1.88 -1.12 132.00 139.37 1qay h PRO 231 Ca -0.46 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1qay h PRO 231 Cb 1.22 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1qay h PRO 231 CO 0.74 0.44 0.03 0.37 -0.23 0.00 0.00 178.00 179.36 1qay h GLN 232 N 0.69 0.00 -0.10 0.86 4.15 -1.91 -1.94 115.11 116.86 1qay h GLN 232 Ca 0.49 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.74 1qay h GLN 232 Cb 0.83 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.51 1qay h GLN 232 CO -0.25 0.00 -0.67 1.96 -1.93 0.00 0.00 178.83 177.95 1qay h GLN 233 N 0.00 0.41 -0.05 1.69 4.20 -1.58 -3.17 115.11 116.61 1qay h GLN 233 Ca 0.02 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.42 1qay h GLN 233 Cb 0.09 0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1qay h GLN 233 CO -0.00 0.93 0.00 1.28 -0.67 0.00 0.00 178.83 180.37 1qay n LEU 234 N -3.87 1.07 -4.62 1.46 4.77 -0.75 -4.89 117.00 110.17 1qay n LEU 234 Ca -0.04 -0.39 -0.43 0.00 -0.03 0.00 0.00 56.01 55.12 1qay n LEU 234 Cb 0.67 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.70 1qay n LEU 234 CO 0.47 0.20 1.51 -0.70 -1.33 0.00 0.00 177.39 177.54 1qay s GLU 235 N -1.94 3.57 0.31 3.23 2.12 -1.07 -4.52 118.70 120.39 1qay s GLU 235 Ca 0.37 1.70 0.02 0.00 0.36 0.00 0.00 54.97 57.42 1qay s GLU 235 Cb 0.19 -4.15 0.06 0.00 0.26 0.00 0.00 34.13 30.49 1qay s GLU 235 CO 0.31 -1.58 0.42 0.25 -0.54 0.00 0.00 175.26 174.12 1qay n THR 236 N 6.89 0.00 -0.08 -1.70 -2.24 0.41 -4.88 114.28 112.67 1qay n THR 236 Ca 0.22 -0.84 -0.12 0.00 -2.27 0.00 0.00 64.05 61.04 1qay n THR 236 Cb 0.45 -0.95 -0.05 0.00 -2.10 0.00 0.00 70.33 67.69 1qay n THR 236 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qay h ALA 237 N -0.07 0.34 0.00 6.98 0.00 -2.00 -3.39 119.26 121.12 1qay h ALA 237 Ca -0.14 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1qay h ALA 237 Cb 0.59 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1qay h ALA 237 CO 0.18 0.17 -0.10 0.93 0.00 0.00 0.00 179.25 180.43 1qay h GLU 238 N 0.22 0.00 -6.98 0.00 3.07 -1.98 -3.47 114.58 105.43 1qay h GLU 238 Ca 0.06 0.00 -0.46 0.00 -0.50 0.00 0.00 59.36 58.46 1qay h GLU 238 Cb 0.58 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.48 1qay h GLU 238 CO 0.03 0.00 0.35 -0.06 -1.40 0.00 0.00 179.01 177.93 1qay s PHE 239 N -1.36 3.44 0.66 4.33 0.40 -1.26 -5.08 117.98 119.11 1qay s PHE 239 Ca -0.03 1.68 -0.01 0.00 -0.60 0.00 0.00 56.93 57.97 1qay s PHE 239 Cb 0.00 -2.91 0.09 0.00 0.51 0.00 0.00 43.02 40.71 1qay s PHE 239 CO 0.04 -0.06 0.92 -1.54 0.70 0.00 0.00 175.22 175.28 1qay s SER 240 N -1.89 4.73 0.10 1.36 1.04 -1.26 -0.45 113.70 117.32 1qay s SER 240 Ca 0.57 -0.13 -0.25 0.00 0.48 0.00 0.00 55.95 56.62 1qay s SER 240 Cb -0.14 -0.46 -0.13 0.00 0.10 0.00 0.00 66.02 65.39 1qay s SER 240 CO 0.19 -1.58 1.70 1.23 0.98 0.00 0.00 173.24 175.76 1qay h GLY 241 N -0.33 -0.24 0.73 7.32 0.00 -1.80 -2.39 103.07 106.37 1qay h GLY 241 Ca -0.39 0.12 0.07 0.00 0.00 0.00 0.00 47.33 47.13 1qay h GLY 241 CO 0.47 -0.11 0.63 0.83 0.00 0.00 0.00 176.54 178.36 1qay h GLU 242 N -0.25 1.08 -0.60 4.80 4.39 -1.95 -2.28 114.58 119.78 1qay h GLU 242 Ca 0.00 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 1qay h GLU 242 Cb 0.24 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 1qay h GLU 242 CO -0.02 0.71 0.22 0.00 -1.16 0.00 0.00 179.01 178.76 1qay h ALA 243 N 1.48 1.27 -0.04 3.43 0.00 -1.88 -2.84 119.26 120.68 1qay h ALA 243 Ca 0.43 -0.17 -0.22 0.00 0.00 0.00 0.00 54.91 54.95 1qay h ALA 243 Cb 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1qay h ALA 243 CO -0.18 0.53 -0.87 0.28 0.00 0.00 0.00 179.25 179.01 1qay h VAL 244 N 0.86 1.37 -0.20 0.00 2.07 -0.92 -3.07 116.25 116.37 1qay h VAL 244 Ca 0.20 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.44 1qay h VAL 244 Cb 0.20 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1qay h VAL 244 CO -0.02 0.69 0.13 0.40 0.02 0.00 0.00 177.57 178.79 1qay h ILE 245 N 0.30 1.05 -0.65 4.57 1.08 -1.32 0.08 117.51 122.62 1qay h ILE 245 Ca -0.07 -0.09 -0.03 0.00 -0.39 0.00 0.00 64.86 64.28 1qay h ILE 245 Cb 1.49 0.76 -0.03 0.00 -3.07 0.00 0.00 36.82 35.97 1qay h ILE 245 CO 0.16 0.05 0.28 -0.33 -0.69 0.00 0.00 178.15 177.62 1qay h GLU 246 N 0.26 0.94 -0.40 2.37 4.39 -1.59 -1.09 114.58 119.46 1qay h GLU 246 Ca 0.07 -0.14 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 1qay h GLU 246 Cb -0.03 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 1qay h GLU 246 CO -0.02 0.75 0.10 0.78 -1.16 0.00 0.00 179.01 179.46 1qay h GLY 247 N 1.02 0.69 1.32 -3.84 0.00 -1.34 -0.10 103.07 100.81 1qay h GLY 247 Ca 0.22 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1qay h GLY 247 CO -0.02 0.40 0.37 -2.22 0.00 0.00 0.00 176.54 175.06 1qay h ILE 248 N 0.50 1.20 -0.26 2.60 2.04 -0.62 -0.64 117.51 122.33 1qay h ILE 248 Ca 0.12 -0.48 -0.16 0.00 1.00 0.00 0.00 64.86 65.34 1qay h ILE 248 Cb 0.31 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1qay h ILE 248 CO 0.00 0.21 -0.50 -0.07 0.00 0.00 0.00 178.15 177.79 1qay h LEU 249 N 0.91 0.79 -0.59 1.44 3.38 -0.93 -2.25 115.31 118.06 1qay h LEU 249 Ca 0.23 -0.40 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 1qay h LEU 249 Cb 0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1qay h LEU 249 CO -0.04 1.15 -0.03 0.44 0.09 0.00 0.00 178.44 180.05 1qay h ASP 250 N 0.56 1.05 0.01 -0.43 3.32 -0.57 -1.53 116.42 118.84 1qay h ASP 250 Ca 0.02 -0.32 -0.04 0.00 0.02 0.00 0.00 57.03 56.71 1qay h ASP 250 Cb 1.07 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 1qay h ASP 250 CO 0.10 1.12 -0.10 0.00 -1.72 0.00 0.00 179.24 178.64 1qay h ALA 251 N 0.97 1.59 0.09 3.45 0.00 -1.04 -1.88 119.26 122.44 1qay h ALA 251 Ca 0.16 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1qay h ALA 251 Cb 0.60 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.33 1qay h ALA 251 CO 0.04 0.30 -0.69 -0.92 0.00 0.00 0.00 179.25 177.98 1qay h TYR 252 N 0.20 0.53 -0.95 0.00 3.20 -1.21 -3.13 116.97 115.61 1qay h TYR 252 Ca 0.04 -0.35 0.08 0.00 3.14 0.00 0.00 58.73 61.64 1qay h TYR 252 Cb 0.31 -0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.48 1qay h TYR 252 CO 0.00 1.23 0.61 0.00 -1.64 0.00 0.00 178.16 178.36 1qay h ALA 253 N 0.16 1.50 -0.33 1.82 0.00 -1.09 -0.38 119.26 120.95 1qay h ALA 253 Ca -0.11 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1qay h ALA 253 Cb 1.48 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1qay h ALA 253 CO 0.13 0.34 0.19 0.35 0.00 0.00 0.00 179.25 180.26 1qay h PHE 254 N 1.05 0.43 0.00 0.00 3.57 -1.44 -2.45 116.94 118.11 1qay h PHE 254 Ca 0.42 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.82 1qay h PHE 254 Cb 0.26 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1qay h PHE 254 CO -0.00 0.32 -0.48 0.00 -2.23 0.00 0.00 178.31 175.92 1qay h ALA 255 N 1.07 1.02 0.00 2.41 0.00 -1.35 -0.78 119.26 121.63 1qay h ALA 255 Ca 0.12 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1qay h ALA 255 Cb 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1qay h ALA 255 CO -0.02 0.60 -0.51 0.00 0.00 0.00 0.00 179.25 179.32 1qay h ALA 256 N 1.52 0.85 0.00 0.00 0.00 -0.83 -3.33 119.26 117.48 1qay h ALA 256 Ca -0.00 -0.46 -0.33 0.00 0.00 0.00 0.00 54.91 54.11 1qay h ALA 256 Cb 0.96 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 1qay h ALA 256 CO 0.06 0.64 -2.26 1.55 0.00 0.00 0.00 179.25 179.24 1qay n VAL 257 N -3.49 1.26 -3.89 0.00 3.14 -0.94 -4.74 118.33 109.67 1qay n VAL 257 Ca 0.00 -0.68 -0.35 0.00 -2.96 0.00 0.00 64.34 60.34 1qay n VAL 257 Cb 0.62 -0.77 -0.14 0.00 -1.06 0.00 0.00 33.84 32.50 1qay n VAL 257 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1qay s ASP 258 N -5.53 4.49 0.53 6.55 2.15 -0.31 -5.00 116.67 119.55 1qay s ASP 258 Ca -0.16 -0.58 0.21 0.00 0.43 0.00 0.00 52.55 52.45 1qay s ASP 258 Cb 0.06 -1.75 1.38 0.00 -0.30 0.00 0.00 42.92 42.31 1qay s ASP 258 CO 0.67 -0.08 2.11 -0.65 -0.17 0.00 0.00 175.17 177.05 1qay h PRO 259 N 8.11 0.00 -0.77 4.34 0.11 -1.82 -1.82 132.00 140.15 1qay h PRO 259 Ca -0.37 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.70 1qay h PRO 259 Cb 1.14 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1qay h PRO 259 CO 0.60 0.00 0.33 1.88 -0.21 0.00 0.00 178.00 180.60 1qay h TYR 260 N 0.00 1.14 0.11 0.65 -1.99 -1.93 -0.69 116.97 114.26 1qay h TYR 260 Ca 0.08 -0.07 -0.27 0.00 2.00 0.00 0.00 58.73 60.47 1qay h TYR 260 Cb 0.34 -0.35 -0.00 0.00 2.00 0.00 0.00 36.73 38.72 1qay h TYR 260 CO 0.00 0.85 -1.25 -0.09 -0.00 0.00 0.00 178.16 177.66 1qay h ARG 261 N 1.11 0.24 -0.75 4.88 9.65 -1.71 -3.29 114.38 124.52 1qay h ARG 261 Ca 0.26 -0.41 -0.01 0.00 -1.10 0.00 0.00 59.98 58.72 1qay h ARG 261 Cb 0.17 0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 28.87 1qay h ARG 261 CO -0.03 1.18 0.43 0.00 2.80 0.00 0.00 179.97 184.36 1qay h ALA 262 N 0.62 1.35 0.11 2.80 0.00 -1.15 0.16 119.26 123.14 1qay h ALA 262 Ca -0.13 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1qay h ALA 262 Cb 1.96 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1qay h ALA 262 CO 0.19 0.55 -0.13 0.00 0.00 0.00 0.00 179.25 179.86 1qay h ALA 263 N 1.44 -0.24 -0.35 0.00 0.00 -1.19 0.54 119.26 119.45 1qay h ALA 263 Ca 0.27 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.98 1qay h ALA 263 Cb -0.01 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1qay h ALA 263 CO -0.05 -0.66 -0.42 1.15 0.00 0.00 0.00 179.25 179.27 1qay h THR 264 N -0.28 1.27 0.01 0.00 2.02 -1.58 -1.64 112.91 112.71 1qay h THR 264 Ca 0.01 -1.60 0.02 0.00 0.77 0.00 0.00 66.41 65.61 1qay h THR 264 Cb 0.28 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 1qay h THR 264 CO -0.05 0.53 -0.12 -0.74 0.37 0.00 0.00 175.52 175.52 1qay h HIS 265 N 0.72 -0.29 -0.16 3.16 2.76 -0.51 -0.14 115.15 120.68 1qay h HIS 265 Ca 0.05 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.15 1qay h HIS 265 Cb 1.02 0.13 -0.01 0.00 1.55 0.00 0.00 27.41 30.09 1qay h HIS 265 CO 0.06 -0.17 -0.25 -0.91 -1.30 0.00 0.00 177.93 175.36 1qay h ASN 266 N -0.20 0.29 -0.83 3.26 2.35 -0.90 -2.28 115.58 117.26 1qay h ASN 266 Ca 0.04 -0.09 0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1qay h ASN 266 Cb 0.25 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.50 1qay h ASN 266 CO -0.11 0.54 0.55 0.50 -1.65 0.00 0.00 177.43 177.27 1qay h LYS 267 N 0.26 1.09 -0.77 0.81 3.11 -0.38 -1.21 116.57 119.48 1qay h LYS 267 Ca 0.04 -0.07 0.02 0.00 -2.81 0.00 0.00 60.65 57.83 1qay h LYS 267 Cb 0.59 -0.25 -0.04 0.00 -1.00 0.00 0.00 32.23 31.53 1qay h LYS 267 CO 0.04 0.72 0.50 0.78 -2.81 0.00 0.00 179.45 178.69 1qay h GLY 268 N 1.12 1.09 0.91 5.01 0.00 -0.48 -0.86 103.07 109.86 1qay h GLY 268 Ca 0.31 -0.39 0.01 0.00 0.00 0.00 0.00 47.33 47.26 1qay h GLY 268 CO -0.07 0.37 0.16 -2.22 0.00 0.00 0.00 176.54 174.78 1qay h ILE 269 N 1.01 1.02 -0.10 2.60 2.04 -1.07 -2.08 117.51 120.93 1qay h ILE 269 Ca 0.29 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 66.01 1qay h ILE 269 Cb -0.08 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1qay h ILE 269 CO -0.08 0.06 -0.06 0.24 0.00 0.00 0.00 178.15 178.32 1qay h MET 270 N 0.33 0.15 -0.24 2.37 2.86 -0.60 -2.21 114.93 117.59 1qay h MET 270 Ca 0.12 -0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.81 1qay h MET 270 Cb 0.01 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 1qay h MET 270 CO -0.07 0.22 0.28 -0.91 1.06 0.00 0.00 176.91 177.49 1qay h ASN 271 N 0.14 0.00 0.10 1.22 4.21 -0.44 0.25 115.58 121.06 1qay h ASN 271 Ca 0.03 0.00 -0.37 0.00 1.21 0.00 0.00 56.30 57.18 1qay h ASN 271 Cb 0.20 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.35 1qay h ASN 271 CO 0.01 0.00 -2.20 0.61 -1.29 0.00 0.00 177.43 174.55 1qay n GLY 272 N -1.42 -0.59 0.10 2.83 0.00 -0.85 -4.41 105.19 100.86 1qay n GLY 272 Ca 0.03 -0.22 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 1qay n GLY 272 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1qay h ILE 273 N 0.03 1.46 -0.26 -0.61 2.04 -1.16 -3.34 117.51 115.66 1qay h ILE 273 Ca -0.49 -1.64 0.05 0.00 1.00 0.00 0.00 64.86 63.78 1qay h ILE 273 Cb 2.01 2.40 -0.05 0.00 -0.74 0.00 0.00 36.82 40.44 1qay h ILE 273 CO 0.01 0.46 -0.05 0.44 0.00 0.00 0.00 178.15 179.01 1qay h ASP 274 N -0.33 -0.22 -0.94 1.72 5.19 -0.79 -2.53 116.42 118.52 1qay h ASP 274 Ca -0.01 0.07 0.12 0.00 -0.62 0.00 0.00 57.03 56.59 1qay h ASP 274 Cb 0.85 0.15 -0.08 0.00 0.18 0.00 0.00 39.33 40.43 1qay h ASP 274 CO 0.04 -0.07 0.60 -0.65 -3.12 0.00 0.00 179.24 176.04 1qay h PRO 275 N 0.01 0.85 -0.05 3.56 0.11 -1.77 -0.42 132.00 134.31 1qay h PRO 275 Ca 0.13 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.08 1qay h PRO 275 Cb 0.19 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 1qay h PRO 275 CO -0.26 0.56 -0.46 1.25 -0.21 0.00 0.00 178.00 178.89 1qay h LEU 276 N 0.88 0.12 -0.14 2.35 5.85 -1.60 -2.60 115.31 120.17 1qay h LEU 276 Ca 0.46 -0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.99 1qay h LEU 276 Cb 0.54 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1qay h LEU 276 CO -0.22 0.56 -0.46 0.40 -0.34 0.00 0.00 178.44 178.37 1qay h ILE 277 N 0.09 1.35 -0.48 4.05 1.08 -0.72 -2.59 117.51 120.29 1qay h ILE 277 Ca 0.00 -1.75 -0.06 0.00 -0.39 0.00 0.00 64.86 62.66 1qay h ILE 277 Cb 0.84 2.07 -0.02 0.00 -3.07 0.00 0.00 36.82 36.64 1qay h ILE 277 CO 0.06 0.53 0.03 0.58 -0.69 0.00 0.00 178.15 178.67 1qay h VAL 278 N 0.19 1.23 -0.46 1.67 2.07 -1.19 0.41 116.25 120.16 1qay h VAL 278 Ca -0.02 -0.93 -0.11 0.00 0.82 0.00 0.00 66.70 66.46 1qay h VAL 278 Cb 1.09 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 1qay h VAL 278 CO 0.10 0.33 -0.14 0.00 0.02 0.00 0.00 177.57 177.88 1qay h ALA 279 N 1.31 0.88 -0.00 1.67 0.00 -1.49 -2.61 119.26 119.02 1qay h ALA 279 Ca 0.15 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1qay h ALA 279 Cb 0.40 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1qay h ALA 279 CO 0.01 0.64 -0.01 0.25 0.00 0.00 0.00 179.25 180.14 1qay n THR 280 N -4.14 0.00 -1.03 0.00 -2.24 -0.98 -4.04 114.28 101.85 1qay n THR 280 Ca 0.01 -0.02 -0.01 0.00 -2.27 0.00 0.00 64.05 61.76 1qay n THR 280 Cb 0.40 -0.41 -0.00 0.00 -2.10 0.00 0.00 70.33 68.21 1qay n THR 280 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qay n GLY 281 N 1.16 0.46 3.92 3.38 0.00 -0.95 -4.48 105.19 108.68 1qay n GLY 281 Ca 0.19 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.99 1qay n GLY 281 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qay s ASN 282 N -2.90 6.31 -0.55 1.61 0.01 0.09 -3.87 114.94 115.64 1qay s ASN 282 Ca 0.00 0.74 -0.27 0.00 -0.71 0.00 0.00 52.86 52.62 1qay s ASN 282 Cb 0.00 -2.16 -0.01 0.00 0.41 0.00 0.00 41.25 39.49 1qay s ASN 282 CO 0.00 -0.42 1.70 -0.62 -1.51 0.00 0.00 177.10 176.25 1qay s ASP 283 N -3.93 5.65 0.41 -1.22 -1.08 -1.26 -4.37 116.67 110.86 1qay s ASP 283 Ca 0.44 0.46 0.19 0.00 -0.52 0.00 0.00 52.55 53.12 1qay s ASP 283 Cb -0.10 -2.53 0.86 0.00 -1.46 0.00 0.00 42.92 39.69 1qay s ASP 283 CO 0.39 -2.05 1.84 4.11 0.52 0.00 0.00 175.17 179.98 1qay h TRP 284 N 13.32 0.00 -0.14 -5.34 0.09 -1.93 -3.05 115.95 118.90 1qay h TRP 284 Ca -0.28 0.00 -0.12 0.00 0.09 0.00 0.00 58.89 58.58 1qay h TRP 284 Cb 1.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 30.37 1qay h TRP 284 CO 1.03 0.32 -0.45 0.00 0.09 0.00 0.00 178.44 179.43 1qay h ARG 285 N 0.00 0.34 -0.49 0.12 3.08 -2.00 -2.22 114.38 113.21 1qay h ARG 285 Ca -0.00 -0.17 -0.12 0.00 0.07 0.00 0.00 59.98 59.75 1qay h ARG 285 Cb 0.70 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 1qay h ARG 285 CO 0.04 0.72 -0.16 0.00 -1.07 0.00 0.00 179.97 179.50 1qay h ALA 286 N 1.26 0.78 -0.59 0.04 0.00 -1.93 -1.69 119.26 117.12 1qay h ALA 286 Ca 0.02 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 1qay h ALA 286 Cb 0.90 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1qay h ALA 286 CO 0.07 0.66 0.14 0.28 0.00 0.00 0.00 179.25 180.40 1qay h VAL 287 N 0.84 1.25 -0.35 0.00 2.07 -1.55 -1.95 116.25 116.56 1qay h VAL 287 Ca 0.12 -0.92 -0.07 0.00 0.82 0.00 0.00 66.70 66.66 1qay h VAL 287 Cb 0.72 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1qay h VAL 287 CO 0.06 0.34 -0.04 -0.33 0.02 0.00 0.00 177.57 177.62 1qay h GLU 288 N 0.87 0.64 -0.39 1.57 4.39 -1.28 -1.59 114.58 118.79 1qay h GLU 288 Ca 0.19 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 1qay h GLU 288 Cb 0.36 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1qay h GLU 288 CO 0.00 0.78 0.17 0.00 -1.16 0.00 0.00 179.01 178.80 1qay h ALA 289 N 0.84 0.50 0.00 3.43 0.00 -1.25 -1.94 119.26 120.84 1qay h ALA 289 Ca 0.09 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1qay h ALA 289 Cb 0.52 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1qay h ALA 289 CO 0.03 0.09 -0.43 0.78 0.00 0.00 0.00 179.25 179.72 1qay h GLY 290 N 0.48 0.00 0.44 0.00 0.00 -1.37 -2.61 103.07 100.02 1qay h GLY 290 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 1qay h GLY 290 CO -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 176.54 176.36 1qay h ALA 291 N 1.57 -0.47 -0.52 3.60 0.00 -1.13 -3.03 119.26 119.28 1qay h ALA 291 Ca -0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1qay h ALA 291 Cb 0.95 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1qay h ALA 291 CO 0.06 -0.48 0.04 0.45 0.00 0.00 0.00 179.25 179.31 1qay h HIS 292 N -1.04 0.90 -0.43 0.00 3.86 -1.45 -2.37 115.15 114.63 1qay h HIS 292 Ca -0.05 -0.12 -0.07 0.00 -1.16 0.00 0.00 60.37 58.97 1qay h HIS 292 Cb 0.48 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.68 1qay h HIS 292 CO 0.03 0.81 -0.03 0.00 0.86 0.00 0.00 177.93 179.59 1qay h ALA 293 N 1.24 1.14 0.00 2.45 0.00 -1.60 -2.35 119.26 120.14 1qay h ALA 293 Ca 0.16 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1qay h ALA 293 Cb 0.43 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1qay h ALA 293 CO 0.02 0.55 -0.28 -0.92 0.00 0.00 0.00 179.25 178.61 1qay h TYR 294 N 0.67 0.00 0.00 0.00 3.20 -1.38 -3.02 116.97 116.43 1qay h TYR 294 Ca 0.13 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 1qay h TYR 294 Cb 0.46 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.73 1qay h TYR 294 CO 0.02 0.28 -0.02 0.00 -1.64 0.00 0.00 178.16 176.80 1qay h ALA 295 N 1.72 1.00 -0.42 1.82 0.00 -0.89 -3.15 119.26 119.35 1qay h ALA 295 Ca -0.00 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.58 1qay h ALA 295 Cb 0.87 -0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.38 1qay h ALA 295 CO 0.04 0.02 -0.75 0.00 0.00 0.00 0.00 179.25 178.56 1qay h ARG 297 N 1.74 0.00 -0.76 0.00 0.11 -1.52 -3.09 114.38 110.85 1qay h ARG 297 Ca 0.16 0.00 -0.37 0.00 0.10 0.00 0.00 59.98 59.87 1qay h ARG 297 Cb 1.35 0.00 -0.22 0.00 1.11 0.00 0.00 29.97 32.21 1qay h ARG 297 CO 0.41 0.00 0.38 -1.13 0.10 0.00 0.00 179.97 179.73 1qay n SER 298 N -2.51 3.56 -0.22 0.08 3.41 -1.26 -4.89 113.62 111.78 1qay n SER 298 Ca 0.03 -3.59 -0.03 0.00 -0.26 0.00 0.00 58.87 55.02 1qay n SER 298 Cb 0.31 -0.76 -0.01 0.00 -0.26 0.00 0.00 64.21 63.49 1qay n SER 298 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qay n GLY 299 N -0.98 0.47 2.99 5.00 0.00 -1.17 -4.96 105.19 106.54 1qay n GLY 299 Ca 0.49 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 46.26 1qay n GLY 299 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1qay s HIS 300 N -1.66 -0.38 -0.50 1.61 5.65 -1.26 -5.10 115.29 113.65 1qay s HIS 300 Ca 0.00 0.91 -0.27 0.00 0.25 0.00 0.00 55.06 55.94 1qay s HIS 300 Cb 0.00 -0.05 -0.02 0.00 -1.18 0.00 0.00 32.58 31.33 1qay s HIS 300 CO 0.00 -0.33 1.83 -0.47 -0.65 0.00 0.00 174.74 175.12 1qay s TYR 301 N 2.27 1.73 0.00 3.88 5.04 -1.26 -4.21 117.35 124.80 1qay s TYR 301 Ca 0.00 0.75 0.00 0.00 -2.44 0.00 0.00 57.07 55.39 1qay s TYR 301 Cb -0.12 -4.10 0.00 0.00 0.35 0.00 0.00 41.96 38.09 1qay s TYR 301 CO -0.08 -2.52 0.00 0.41 -1.34 0.00 0.00 175.55 172.02 1qay n GLY 302 N 5.58 4.44 3.77 8.97 0.00 0.04 -4.33 105.19 123.67 1qay n GLY 302 Ca 0.22 -2.18 -0.38 0.00 0.00 0.00 0.00 46.02 43.68 1qay n GLY 302 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qay s SER 303 N -0.74 6.90 0.02 1.61 0.15 -1.25 -4.80 113.70 115.60 1qay s SER 303 Ca 0.00 2.13 0.02 0.00 0.70 0.00 0.00 55.95 58.79 1qay s SER 303 Cb 0.00 -2.60 -0.25 0.00 -1.71 0.00 0.00 66.02 61.46 1qay s SER 303 CO 0.00 -0.40 0.91 -0.07 1.20 0.00 0.00 173.24 174.88 1qay h LEU 304 N 2.92 0.24-10.32 3.45 3.38 -1.92 -3.47 115.31 109.59 1qay h LEU 304 Ca -0.48 -0.34 -0.44 0.00 0.09 0.00 0.00 57.88 56.71 1qay h LEU 304 Cb 1.22 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.89 1qay h LEU 304 CO 0.64 1.28 -0.33 0.42 0.09 0.00 0.00 178.44 180.55 1qay s THR 305 N -2.63 4.15 -0.05 0.22 -4.23 -1.26 -4.07 115.64 107.77 1qay s THR 305 Ca -0.06 -0.95 0.02 0.00 -1.18 0.00 0.00 61.69 59.52 1qay s THR 305 Cb 0.08 -3.45 0.01 0.00 1.34 0.00 0.00 72.50 70.48 1qay s THR 305 CO 0.84 -0.18 -0.10 0.42 -0.54 0.00 0.00 174.62 175.06 1qay s THR 306 N -2.19 0.91 -0.21 3.99 -4.23 -0.95 -4.96 115.64 107.99 1qay s THR 306 Ca 0.45 -0.37 0.02 0.00 -1.18 0.00 0.00 61.69 60.60 1qay s THR 306 Cb -0.10 -0.84 0.04 0.00 1.34 0.00 0.00 72.50 72.94 1qay s THR 306 CO 0.32 0.30 -0.16 0.26 -0.54 0.00 0.00 174.62 174.79 1qay s TRP 307 N 0.56 2.98 0.32 3.99 0.52 -1.26 -1.63 118.94 124.42 1qay s TRP 307 Ca -0.10 -1.91 0.04 0.00 0.02 0.00 0.00 56.10 54.15 1qay s TRP 307 Cb -0.13 -1.93 -0.06 0.00 -1.15 0.00 0.00 33.47 30.19 1qay s TRP 307 CO 0.02 -0.83 0.04 -1.21 0.02 0.00 0.00 176.95 174.99 1qay s GLU 308 N 1.22 1.64 -0.34 4.98 2.02 0.22 -4.91 118.70 123.53 1qay s GLU 308 Ca -0.01 -1.90 0.02 0.00 0.02 0.00 0.00 54.97 53.11 1qay s GLU 308 Cb -0.16 -0.91 0.10 0.00 0.10 0.00 0.00 34.13 33.26 1qay s GLU 308 CO -0.10 -0.15 0.08 0.21 0.02 0.00 0.00 175.26 175.32 1qay s LYS 309 N -3.87 1.26 0.89 1.61 2.20 -1.26 -0.26 119.74 120.32 1qay s LYS 309 Ca 0.35 -1.67 -0.13 0.00 -0.36 0.00 0.00 55.97 54.16 1qay s LYS 309 Cb 0.08 -2.82 0.02 0.00 -1.51 0.00 0.00 37.83 33.61 1qay s LYS 309 CO 0.15 -0.97 0.48 -0.40 -0.36 0.00 0.00 175.35 174.25 1qay n ASP 310 N 4.36 -1.72 0.00 1.43 5.68 -0.69 -4.77 116.55 120.85 1qay n ASP 310 Ca 0.02 0.40 0.01 0.00 -0.50 0.00 0.00 54.79 54.72 1qay n ASP 310 Cb 0.41 -1.23 0.04 0.00 -1.14 0.00 0.00 41.12 39.21 1qay n ASP 310 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1qay n ASN 311 N -1.21 0.00 -0.70 -1.12 0.23 -1.26 -0.43 115.26 110.76 1qay n ASN 311 Ca 0.08 -0.20 0.09 0.00 -0.53 0.00 0.00 54.58 54.02 1qay n ASN 311 Cb 0.53 0.00 0.07 0.00 -2.08 0.00 0.00 39.78 38.30 1qay n ASN 311 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1qay n ASN 312 N -0.67 2.46 0.00 0.53 4.05 -1.26 -4.98 115.26 115.39 1qay n ASN 312 Ca 0.01 -1.73 0.00 0.00 0.45 0.00 0.00 54.58 53.31 1qay n ASN 312 Cb 0.00 0.01 0.00 0.00 1.23 0.00 0.00 39.78 41.02 1qay n ASN 312 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1qay n GLY 313 N 1.00 3.21 3.78 8.20 0.00 0.43 -5.04 105.19 116.78 1qay n GLY 313 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1qay n GLY 313 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qay s HIS 314 N -1.97 2.72 -0.33 1.61 3.76 -1.26 -4.75 115.29 115.07 1qay s HIS 314 Ca 0.00 1.54 -0.18 0.00 -0.15 0.00 0.00 55.06 56.27 1qay s HIS 314 Cb 0.00 -3.11 -0.01 0.00 1.11 0.00 0.00 32.58 30.57 1qay s HIS 314 CO 0.00 -1.56 0.49 -1.17 -0.85 0.00 0.00 174.74 171.66 1qay s LEU 315 N -4.92 4.29 -0.17 0.89 2.96 -0.80 -1.70 118.68 119.24 1qay s LEU 315 Ca 0.65 0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 54.61 1qay s LEU 315 Cb -0.19 -2.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.92 1qay s LEU 315 CO 0.42 -0.43 -0.11 0.68 -1.32 0.00 0.00 176.35 175.60 1qay s VAL 316 N 2.34 3.01 0.15 1.68 -7.23 0.64 -0.63 120.40 120.37 1qay s VAL 316 Ca 0.18 -0.65 0.10 0.00 -1.81 0.00 0.00 61.98 59.80 1qay s VAL 316 Cb -0.16 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 1qay s VAL 316 CO 0.12 0.49 -0.22 -0.83 -0.31 0.00 0.00 175.10 174.36 1qay s GLY 317 N 0.84 1.49 0.18 2.32 0.00 -1.08 -0.61 107.32 110.47 1qay s GLY 317 Ca -0.04 -1.48 -0.00 0.00 0.00 0.00 0.00 44.72 43.20 1qay s GLY 317 CO 0.00 -1.50 0.09 -0.51 0.00 0.00 0.00 173.10 171.18 1qay s THR 318 N -1.58 0.16 -0.20 0.90 -4.23 -0.65 -1.65 115.64 108.39 1qay s THR 318 Ca 0.15 -1.97 -0.07 0.00 -1.18 0.00 0.00 61.69 58.62 1qay s THR 318 Cb -0.08 -2.34 0.09 0.00 1.34 0.00 0.00 72.50 71.50 1qay s THR 318 CO 0.07 -0.18 0.43 -0.22 -0.54 0.00 0.00 174.62 174.17 1qay s LEU 319 N -3.15 -0.57 -0.06 4.79 2.96 -0.39 -2.24 118.68 120.01 1qay s LEU 319 Ca 0.33 1.00 -0.01 0.00 -0.22 0.00 0.00 54.13 55.23 1qay s LEU 319 Cb 0.07 1.38 0.03 0.00 0.50 0.00 0.00 46.19 48.17 1qay s LEU 319 CO 0.08 -0.23 -0.00 -0.70 -1.32 0.00 0.00 176.35 174.18 1qay s GLU 320 N 2.42 0.58 0.10 1.98 2.12 -1.26 -1.70 118.70 122.95 1qay s GLU 320 Ca -0.03 0.08 -0.25 0.00 0.36 0.00 0.00 54.97 55.13 1qay s GLU 320 Cb -0.11 -0.89 0.08 0.00 0.26 0.00 0.00 34.13 33.47 1qay s GLU 320 CO -0.13 -0.25 0.74 0.00 -0.54 0.00 0.00 175.26 175.08 1qay s MET 321 N 1.73 1.13 0.25 4.30 0.23 -1.15 -4.95 119.30 120.84 1qay s MET 321 Ca 0.01 -0.45 -0.30 0.00 -1.03 0.00 0.00 55.69 53.92 1qay s MET 321 Cb -0.13 0.50 -0.11 0.00 -1.53 0.00 0.00 34.83 33.57 1qay s MET 321 CO -0.04 -0.50 1.52 -2.14 -2.03 0.00 0.00 175.02 171.83 1qay s PRO 322 N -3.49 4.20 -0.47 3.16 0.02 -1.26 -1.89 135.00 135.27 1qay s PRO 322 Ca 0.04 2.42 0.07 0.00 0.02 0.00 0.00 61.00 63.54 1qay s PRO 322 Cb -0.01 -3.08 0.24 0.00 0.02 0.00 0.00 34.50 31.66 1qay s PRO 322 CO -0.09 -0.53 0.57 -0.12 -0.33 0.00 0.00 177.00 176.49 1qay n MET 323 N 2.58 1.22 -2.56 5.54 1.56 -0.20 -4.65 117.12 120.60 1qay n MET 323 Ca 0.09 -3.67 -0.41 0.00 -0.27 0.00 0.00 57.70 53.43 1qay n MET 323 Cb 0.39 -1.59 -0.02 0.00 2.15 0.00 0.00 33.22 34.15 1qay n MET 323 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1qay s PRO 324 N -1.44 3.70 0.15 2.12 0.04 -1.26 -4.88 135.00 133.42 1qay s PRO 324 Ca 0.36 -1.38 0.07 0.00 0.04 0.00 0.00 61.00 60.09 1qay s PRO 324 Cb 0.14 -5.41 -0.04 0.00 0.04 0.00 0.00 34.50 29.23 1qay s PRO 324 CO -0.09 -2.25 -0.16 0.54 0.04 0.00 0.00 177.00 175.08 1qay s VAL 325 N 4.84 1.59 0.09 -0.36 0.11 -1.26 -4.76 120.40 120.65 1qay s VAL 325 Ca 0.49 -1.83 0.01 0.00 -2.93 0.00 0.00 61.98 57.72 1qay s VAL 325 Cb 0.01 -1.71 -0.00 0.00 -1.53 0.00 0.00 36.38 33.15 1qay s VAL 325 CO -0.04 -0.37 0.04 0.61 -3.33 0.00 0.00 175.10 172.01 1qay n GLY 326 N 0.39 3.86 0.00 6.54 0.00 -1.26 -4.23 105.19 110.48 1qay n GLY 326 Ca -0.14 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 43.98 1qay n GLY 326 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qay n LEU 327 N 0.00 0.00 -0.94 0.99 4.77 0.80 -4.83 117.00 117.79 1qay n LEU 327 Ca -0.01 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.05 1qay n LEU 327 Cb 0.15 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.46 1qay n LEU 327 CO 0.08 0.00 0.69 1.33 -1.33 0.00 0.00 177.39 178.16 1qay n VAL 328 N -0.43 1.09 -0.32 4.08 0.24 -1.19 -4.68 118.33 117.12 1qay n VAL 328 Ca 0.00 -1.04 -0.28 0.00 -2.04 0.00 0.00 64.34 60.97 1qay n VAL 328 Cb 0.03 0.45 0.27 0.00 -1.47 0.00 0.00 33.84 33.12 1qay n VAL 328 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qay n GLY 329 N 0.89 -3.38 0.32 7.63 0.00 -1.26 -4.84 105.19 104.55 1qay n GLY 329 Ca 0.17 -1.47 -0.12 0.00 0.00 0.00 0.00 46.02 44.60 1qay n GLY 329 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1qay h GLY 330 N -3.33 -0.82 2.00 -0.02 0.00 -1.96 -3.17 103.07 95.78 1qay h GLY 330 Ca -0.43 0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.15 1qay h GLY 330 CO 0.28 -0.30 -0.25 0.00 0.00 0.00 0.00 176.54 176.27 1qay h ALA 331 N -1.44 1.03 -0.38 3.60 0.00 -1.94 -3.08 119.26 117.05 1qay h ALA 331 Ca -0.08 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1qay h ALA 331 Cb 0.60 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1qay h ALA 331 CO 0.13 0.31 -0.06 1.15 0.00 0.00 0.00 179.25 180.78 1qay h THR 332 N 0.00 1.23 0.00 0.00 2.02 -1.67 -2.76 112.91 111.74 1qay h THR 332 Ca -0.00 -0.99 -0.14 0.00 0.77 0.00 0.00 66.41 66.04 1qay h THR 332 Cb 0.76 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1qay h THR 332 CO 0.03 0.34 -1.07 0.11 0.37 0.00 0.00 175.52 175.30 1qay h LYS 333 N 0.59 0.00 0.00 6.66 6.56 -1.52 -3.33 116.57 125.54 1qay h LYS 333 Ca 0.11 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.70 1qay h LYS 333 Cb 0.46 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.12 1qay h LYS 333 CO 0.02 0.37 -1.05 0.25 -2.06 0.00 0.00 179.45 176.99 1qay n THR 334 N -3.01 0.53 -3.21 -0.16 -2.24 -1.17 -4.84 114.28 100.18 1qay n THR 334 Ca -0.05 -0.51 -0.41 0.00 -2.27 0.00 0.00 64.05 60.82 1qay n THR 334 Cb 0.80 -0.27 -0.07 0.00 -2.10 0.00 0.00 70.33 68.69 1qay n THR 334 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1qay s HIS 335 N -3.35 3.23 0.40 4.78 5.65 -1.04 -4.95 115.29 120.00 1qay s HIS 335 Ca -0.00 0.49 0.17 0.00 0.25 0.00 0.00 55.06 55.97 1qay s HIS 335 Cb 0.10 -2.84 1.06 0.00 -1.18 0.00 0.00 32.58 29.72 1qay s HIS 335 CO 0.79 -0.40 1.83 -1.35 -0.65 0.00 0.00 174.74 174.96 1qay h PRO 336 N 8.19 0.43 0.04 2.88 0.11 -1.88 -0.70 132.00 141.06 1qay h PRO 336 Ca -0.28 -0.03 -0.24 0.00 0.11 0.00 0.00 66.00 65.56 1qay h PRO 336 Cb 1.13 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1qay h PRO 336 CO 0.75 0.28 -1.18 -0.07 -0.21 0.00 0.00 178.00 177.57 1qay h LEU 337 N 0.44 0.14 -1.04 2.35 3.38 -1.92 -3.02 115.31 115.64 1qay h LEU 337 Ca 0.51 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.34 1qay h LEU 337 Cb 1.24 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.89 1qay h LEU 337 CO -0.22 1.13 0.65 0.00 0.09 0.00 0.00 178.44 180.08 1qay h ALA 338 N 0.85 1.32 -0.24 1.53 0.00 -1.28 0.14 119.26 121.59 1qay h ALA 338 Ca -0.09 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 1qay h ALA 338 Cb 1.87 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1qay h ALA 338 CO 0.15 0.61 -0.46 1.96 0.00 0.00 0.00 179.25 181.51 1qay h GLN 339 N 1.30 0.62 -0.26 0.00 1.08 -1.54 -2.90 115.11 113.41 1qay h GLN 339 Ca 0.37 -0.35 -0.12 0.00 -1.45 0.00 0.00 58.65 57.10 1qay h GLN 339 Cb -0.10 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 1qay h GLN 339 CO -0.09 0.95 -0.34 1.25 -0.95 0.00 0.00 178.83 179.65 1qay h LEU 340 N 0.50 0.59 -0.69 1.46 5.85 -1.20 -2.40 115.31 119.42 1qay h LEU 340 Ca 0.03 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 1qay h LEU 340 Cb 0.99 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 1qay h LEU 340 CO 0.09 0.89 0.31 0.28 -0.34 0.00 0.00 178.44 179.67 1qay h SER 341 N 0.48 0.92 -0.08 1.25 0.02 -0.68 -1.30 113.55 114.16 1qay h SER 341 Ca 0.05 -0.15 -0.09 0.00 -0.84 0.00 0.00 61.79 60.77 1qay h SER 341 Cb 0.82 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1qay h SER 341 CO 0.07 0.81 -0.21 -0.07 -1.14 0.00 0.00 176.83 176.28 1qay h LEU 342 N 0.96 0.48 -0.46 5.07 3.38 -1.41 -2.18 115.31 121.14 1qay h LEU 342 Ca 0.23 -0.15 -0.15 0.00 0.09 0.00 0.00 57.88 57.91 1qay h LEU 342 Cb 0.15 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1qay h LEU 342 CO -0.03 0.70 -0.31 -0.09 0.09 0.00 0.00 178.44 178.80 1qay h ARG 343 N 0.43 0.95 -0.55 1.13 2.43 -1.01 -1.04 114.38 116.72 1qay h ARG 343 Ca 0.07 -0.45 -0.10 0.00 -0.81 0.00 0.00 59.98 58.68 1qay h ARG 343 Cb 0.61 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 1qay h ARG 343 CO 0.04 1.11 -0.06 0.82 -1.51 0.00 0.00 179.97 180.37 1qay h ILE 344 N 0.79 1.27 -0.40 1.20 2.04 -1.11 -3.04 117.51 118.26 1qay h ILE 344 Ca 0.08 -1.21 -0.08 0.00 1.00 0.00 0.00 64.86 64.66 1qay h ILE 344 Cb 0.89 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1qay h ILE 344 CO 0.08 0.43 -0.08 -0.07 0.00 0.00 0.00 178.15 178.51 1qay h LEU 345 N 0.89 0.66 0.00 1.44 3.38 -1.31 -3.39 115.31 116.98 1qay h LEU 345 Ca 0.15 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1qay h LEU 345 Cb 0.62 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1qay h LEU 345 CO 0.04 0.79 0.00 0.61 0.09 0.00 0.00 178.44 179.97 1qay n GLY 346 N -0.57 0.45 3.77 0.83 0.00 -0.40 -4.82 105.19 104.45 1qay n GLY 346 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1qay n GLY 346 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qay s VAL 347 N -1.94 2.62 -0.14 1.61 -7.23 -1.23 -4.94 120.40 109.15 1qay s VAL 347 Ca 0.00 0.59 0.09 0.00 -1.81 0.00 0.00 61.98 60.85 1qay s VAL 347 Cb 0.00 -3.36 -0.13 0.00 0.56 0.00 0.00 36.38 33.45 1qay s VAL 347 CO 0.00 0.12 0.26 0.29 -0.31 0.00 0.00 175.10 175.45 1qay n LYS 348 N 0.45 1.41 -4.25 4.82 4.76 -1.26 -4.94 118.16 119.15 1qay n LYS 348 Ca 0.02 -0.06 -0.14 0.00 -2.87 0.00 0.00 58.31 55.26 1qay n LYS 348 Cb 0.42 -1.13 -0.10 0.00 -1.84 0.00 0.00 35.03 32.38 1qay n LYS 348 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1qay s THR 349 N -2.40 0.68 0.12 -0.18 -4.23 -1.26 -5.06 115.64 103.31 1qay s THR 349 Ca -0.01 -1.98 -0.14 0.00 -1.18 0.00 0.00 61.69 58.37 1qay s THR 349 Cb 0.06 -2.17 -0.05 0.00 1.34 0.00 0.00 72.50 71.69 1qay s THR 349 CO 0.38 -0.43 1.50 0.00 -0.54 0.00 0.00 174.62 175.53 1qay h ALA 350 N 2.66 0.50 0.00 3.99 0.00 -1.82 -2.97 119.26 121.62 1qay h ALA 350 Ca -0.37 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.17 1qay h ALA 350 Cb 1.21 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1qay h ALA 350 CO 0.62 0.39 -0.18 1.96 0.00 0.00 0.00 179.25 182.04 1qay h GLN 351 N 0.51 0.00 -0.54 0.00 1.08 -1.87 0.46 115.11 114.76 1qay h GLN 351 Ca 0.09 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.17 1qay h GLN 351 Cb 0.66 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.07 1qay h GLN 351 CO 0.04 0.18 -0.12 0.00 -0.95 0.00 0.00 178.83 177.99 1qay h ALA 352 N 1.82 0.74 -0.16 3.87 0.00 -1.95 -1.32 119.26 122.26 1qay h ALA 352 Ca -0.00 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.41 1qay h ALA 352 Cb 0.42 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1qay h ALA 352 CO 0.02 0.66 -0.50 1.25 0.00 0.00 0.00 179.25 180.69 1qay h LEU 353 N 0.91 0.46 -0.52 0.00 5.85 -1.19 -2.97 115.31 117.84 1qay h LEU 353 Ca 0.14 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 1qay h LEU 353 Cb 0.69 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1qay h LEU 353 CO 0.05 0.88 0.22 0.00 -0.34 0.00 0.00 178.44 179.25 1qay h ALA 354 N 1.13 0.67 -0.35 1.25 0.00 -0.62 -1.63 119.26 119.71 1qay h ALA 354 Ca 0.01 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1qay h ALA 354 Cb 1.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1qay h ALA 354 CO 0.09 0.27 0.00 0.93 0.00 0.00 0.00 179.25 180.54 1qay h GLU 355 N 0.70 0.54 -0.17 0.00 5.08 -1.21 -2.74 114.58 116.78 1qay h GLU 355 Ca 0.17 -0.12 -0.18 0.00 -1.00 0.00 0.00 59.36 58.24 1qay h GLU 355 Cb 0.18 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1qay h GLU 355 CO -0.02 0.57 -0.64 0.82 -1.00 0.00 0.00 179.01 178.74 1qay h ILE 356 N 0.52 1.32 -0.68 3.13 2.04 -1.33 -2.96 117.51 119.55 1qay h ILE 356 Ca 0.11 -1.91 -0.05 0.00 1.00 0.00 0.00 64.86 64.02 1qay h ILE 356 Cb 0.34 1.88 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 1qay h ILE 356 CO 0.01 0.59 0.24 0.00 0.00 0.00 0.00 178.15 178.99 1qay h ALA 357 N 0.85 0.89 0.00 1.87 0.00 -1.07 -2.18 119.26 119.62 1qay h ALA 357 Ca -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1qay h ALA 357 Cb 1.21 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1qay h ALA 357 CO 0.12 0.54 -0.06 -0.39 0.00 0.00 0.00 179.25 179.47 1qay h VAL 358 N 0.99 0.12 0.04 0.00 -1.51 -1.54 -2.76 116.25 111.58 1qay h VAL 358 Ca 0.22 -0.94 -0.28 0.00 -1.23 0.00 0.00 66.70 64.48 1qay h VAL 358 Cb 0.26 1.84 0.02 0.00 -2.13 0.00 0.00 31.29 31.29 1qay h VAL 358 CO -0.01 0.06 -1.11 0.00 -1.23 0.00 0.00 177.57 175.28 1qay h ALA 359 N 1.94 0.10 -0.47 5.19 0.00 -1.30 -2.15 119.26 122.57 1qay h ALA 359 Ca -0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 54.91 54.10 1qay h ALA 359 Cb 0.84 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1qay h ALA 359 CO 0.01 0.71 -0.05 0.28 0.00 0.00 0.00 179.25 180.19 1qay h VAL 360 N 0.34 1.25 -0.17 0.00 2.07 -1.38 -2.20 116.25 116.16 1qay h VAL 360 Ca -0.15 -1.09 -0.07 0.00 0.82 0.00 0.00 66.70 66.22 1qay h VAL 360 Cb 1.77 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1qay h VAL 360 CO 0.21 0.38 -0.16 1.23 0.02 0.00 0.00 177.57 179.26 1qay h GLY 361 N 0.98 0.43 1.32 2.17 0.00 -1.52 -1.68 103.07 104.78 1qay h GLY 361 Ca 0.14 -0.44 0.02 0.00 0.00 0.00 0.00 47.33 47.05 1qay h GLY 361 CO 0.03 0.40 0.41 -2.00 0.00 0.00 0.00 176.54 175.38 1qay h LEU 362 N 0.05 0.67 -0.12 3.11 5.85 -1.34 -1.22 115.31 122.31 1qay h LEU 362 Ca 0.03 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1qay h LEU 362 Cb 0.69 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 1qay h LEU 362 CO 0.04 0.48 -0.06 0.00 -0.34 0.00 0.00 178.44 178.56 1qay h ALA 363 N 1.62 0.17 -0.15 1.25 0.00 -1.34 -2.79 119.26 118.02 1qay h ALA 363 Ca 0.24 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1qay h ALA 363 Cb -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1qay h ALA 363 CO -0.06 -0.05 -0.00 0.37 0.00 0.00 0.00 179.25 179.51 1qay h GLN 364 N -0.10 0.04 -0.82 0.00 5.75 -0.84 -1.39 115.11 117.75 1qay h GLN 364 Ca 0.03 -0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.57 1qay h GLN 364 Cb 0.52 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.01 1qay h GLN 364 CO 0.02 0.03 0.54 -0.97 -2.65 0.00 0.00 178.83 175.80 1qay h ASN 365 N 0.05 0.84 -0.45 -0.69 -1.24 -1.30 0.14 115.58 112.93 1qay h ASN 365 Ca 0.07 -0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.03 1qay h ASN 365 Cb 0.09 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 38.93 1qay h ASN 365 CO -0.12 0.56 0.08 0.25 -1.29 0.00 0.00 177.43 176.91 1qay h LEU 366 N 0.97 0.71 -0.59 0.34 5.85 -1.14 -2.02 115.31 119.43 1qay h LEU 366 Ca 0.34 -0.25 -0.12 0.00 0.84 0.00 0.00 57.88 58.69 1qay h LEU 366 Cb 0.12 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1qay h LEU 366 CO -0.11 0.78 -0.18 1.23 -0.34 0.00 0.00 178.44 179.83 1qay h GLY 367 N 0.61 1.02 0.96 3.75 0.00 -0.49 -0.68 103.07 108.24 1qay h GLY 367 Ca 0.14 -0.86 -0.01 0.00 0.00 0.00 0.00 47.33 46.59 1qay h GLY 367 CO 0.01 0.79 0.21 0.00 0.00 0.00 0.00 176.54 177.54 1qay h ALA 368 N 0.97 0.54 -0.05 3.60 0.00 -0.89 -2.73 119.26 120.70 1qay h ALA 368 Ca 0.12 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 1qay h ALA 368 Cb 0.73 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1qay h ALA 368 CO 0.06 0.10 -0.84 0.52 0.00 0.00 0.00 179.25 179.08 1qay h MET 369 N 0.54 0.47 -0.35 0.00 2.07 -1.34 -2.73 114.93 113.58 1qay h MET 369 Ca 0.14 -0.44 0.04 0.00 -2.07 0.00 0.00 59.70 57.38 1qay h MET 369 Cb 0.11 0.11 -0.04 0.00 -1.87 0.00 0.00 31.60 29.90 1qay h MET 369 CO -0.02 1.08 0.11 -0.09 1.07 0.00 0.00 176.91 179.06 1qay h ARG 370 N 0.30 0.25 0.04 1.72 2.43 -1.03 -0.95 114.38 117.13 1qay h ARG 370 Ca -0.06 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1qay h ARG 370 Cb 1.45 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.94 1qay h ARG 370 CO 0.15 0.16 -0.02 0.00 -1.51 0.00 0.00 179.97 178.75 1qay h ALA 371 N 1.24 -0.06 -0.54 2.80 0.00 -1.53 0.26 119.26 121.42 1qay h ALA 371 Ca 0.16 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.08 1qay h ALA 371 Cb 0.15 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1qay h ALA 371 CO -0.18 -0.43 0.37 -0.07 0.00 0.00 0.00 179.25 178.95 1qay h LEU 372 N -0.26 0.21 0.01 0.00 3.38 -1.30 -2.10 115.31 115.25 1qay h LEU 372 Ca -0.01 0.01 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 1qay h LEU 372 Cb 0.24 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 1qay h LEU 372 CO 0.01 0.12 -1.80 0.00 0.09 0.00 0.00 178.44 176.86 1qay n ALA 373 N -2.56 1.43 0.13 1.53 0.00 -0.38 -4.40 120.51 116.25 1qay n ALA 373 Ca 0.09 -0.80 -0.05 0.00 0.00 0.00 0.00 53.44 52.68 1qay n ALA 373 Cb 0.45 -0.77 -0.02 0.00 0.00 0.00 0.00 19.45 19.10 1qay n ALA 373 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1qay h THR 374 N 0.01 0.00 0.00 0.00 2.02 0.13 -3.46 112.91 111.61 1qay h THR 374 Ca -0.33 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 66.76 1qay h THR 374 Cb 2.04 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 1qay h THR 374 CO 0.07 0.00 0.00 1.21 0.37 0.00 0.00 175.52 177.17 1qay n GLU 375 N -3.15 0.00 -1.11 6.66 4.07 -0.85 -4.90 120.64 121.36 1qay n GLU 375 Ca -0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 1qay n GLU 375 Cb 0.13 -0.11 0.00 0.00 -0.06 0.00 0.00 31.44 31.40 1qay n GLU 375 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1qay n GLY 376 N 2.95 1.08 0.03 8.31 0.00 -0.96 -4.96 105.19 111.65 1qay n GLY 376 Ca 0.00 -0.79 0.04 0.00 0.00 0.00 0.00 46.02 45.27 1qay n GLY 376 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1qay n ILE 377 N 0.00 0.39 -0.15 -0.61 0.13 -1.26 -3.67 119.36 114.19 1qay n ILE 377 Ca 0.00 -0.54 -0.12 0.00 -1.10 0.00 0.00 62.75 60.99 1qay n ILE 377 Cb 0.00 -0.13 -0.01 0.00 -0.84 0.00 0.00 39.64 38.67 1qay n ILE 377 CO 0.00 0.00 0.00 1.56 2.80 0.00 0.00 176.55 180.91 1qay h GLN 378 N 0.00 0.99 -0.52 9.51 1.08 -1.96 -2.97 115.11 121.23 1qay h GLN 378 Ca -0.15 -0.44 0.10 0.00 -1.45 0.00 0.00 58.65 56.70 1qay h GLN 378 Cb 1.27 -0.02 -0.11 0.00 -0.05 0.00 0.00 27.48 28.57 1qay h GLN 378 CO 0.01 1.12 -0.24 0.07 -0.95 0.00 0.00 178.83 178.83 1qay h ARG 379 N 0.84 -0.12 0.00 1.46 -0.00 -1.99 -1.80 114.38 112.77 1qay h ARG 379 Ca 0.10 0.01 0.00 0.00 -0.00 0.00 0.00 59.98 60.09 1qay h ARG 379 Cb 0.84 0.03 0.00 0.00 -0.00 0.00 0.00 29.97 30.83 1qay h ARG 379 CO 0.07 -0.08 -0.05 0.78 -0.00 0.00 0.00 179.97 180.69 1qay h GLY 380 N -0.12 0.00 0.03 0.08 0.00 -1.86 -3.22 103.07 97.97 1qay h GLY 380 Ca 0.24 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.62 1qay h GLY 380 CO -0.60 0.00 -0.38 0.84 0.00 0.00 0.00 176.54 176.41 1qay h HIS 381 N -0.71 -1.07 -0.99 5.60 6.17 -1.61 -1.26 115.15 121.28 1qay h HIS 381 Ca 0.00 0.05 0.05 0.00 0.71 0.00 0.00 60.37 61.18 1qay h HIS 381 Cb 0.05 0.49 -0.06 0.00 2.52 0.00 0.00 27.41 30.41 1qay h HIS 381 CO -0.02 -0.44 0.65 0.52 0.71 0.00 0.00 177.93 179.34 1qay h MET 382 N -0.43 1.17 -0.31 5.26 2.86 -1.52 0.77 114.93 122.74 1qay h MET 382 Ca 0.10 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1qay h MET 382 Cb 0.59 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 1qay h MET 382 CO -0.41 0.77 0.20 0.00 1.06 0.00 0.00 176.91 178.54 1qay h ALA 383 N 1.44 0.39 0.00 6.32 0.00 -1.45 -0.55 119.26 125.42 1qay h ALA 383 Ca 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1qay h ALA 383 Cb 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1qay h ALA 383 CO -0.15 -0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.24 1qay n LEU 384 N -4.87 0.41 -3.23 0.00 4.77 -0.52 -3.59 117.00 109.97 1qay n LEU 384 Ca -0.01 0.58 -0.39 0.00 -0.03 0.00 0.00 56.01 56.15 1qay n LEU 384 Cb 0.03 -0.50 0.02 0.00 -2.33 0.00 0.00 43.42 40.64 1qay n LEU 384 CO 0.34 -0.33 1.56 1.57 -1.33 0.00 0.00 177.39 179.21 1qay n HIS 385 N -1.93 2.76 -2.85 -1.77 -0.00 0.26 -4.73 115.22 106.97 1qay n HIS 385 Ca 0.04 -2.43 -0.39 0.00 0.46 0.00 0.00 57.72 55.40 1qay n HIS 385 Cb 0.26 -1.25 -0.06 0.00 -0.12 0.00 0.00 29.99 28.82 1qay n HIS 385 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1qay s ALA 386 N -3.82 3.36 0.00 1.57 0.00 -1.24 -4.87 121.76 116.76 1qay s ALA 386 Ca 0.47 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.92 1qay s ALA 386 Cb 0.31 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.33 1qay s ALA 386 CO -0.26 0.24 0.00 0.54 0.00 0.00 0.00 175.76 176.28