#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q0r s GLU 3 N 0.00 0.69 0.04 4.33 -1.05 -1.26 -1.98 118.70 119.46 1q0r s GLU 3 Ca 0.00 -0.98 -0.19 0.00 -0.15 0.00 0.00 54.97 53.65 1q0r s GLU 3 Cb 0.00 -0.38 0.04 0.00 -0.44 0.00 0.00 34.13 33.35 1q0r s GLU 3 CO 0.00 0.06 0.42 -0.98 0.95 0.00 0.00 175.26 175.71 1q0r s ARG 4 N -2.32 0.92 -0.22 -4.83 1.70 -0.25 -5.00 118.95 108.95 1q0r s ARG 4 Ca -0.01 -0.32 -0.11 0.00 -0.47 0.00 0.00 55.73 54.81 1q0r s ARG 4 Cb -0.05 0.41 -0.05 0.00 -0.57 0.00 0.00 34.95 34.69 1q0r s ARG 4 CO -0.01 -0.31 0.18 0.42 -1.08 0.00 0.00 175.30 174.51 1q0r s ILE 5 N -2.37 5.36 0.01 4.99 -1.09 -1.26 -1.32 121.20 125.51 1q0r s ILE 5 Ca -0.06 0.26 0.06 0.00 -2.23 0.00 0.00 60.65 58.68 1q0r s ILE 5 Cb -0.01 -3.52 -0.03 0.00 -1.58 0.00 0.00 42.46 37.32 1q0r s ILE 5 CO -0.02 0.37 -0.18 0.68 -1.23 0.00 0.00 174.94 174.57 1q0r s VAL 6 N 0.83 2.79 0.32 2.92 -7.23 0.03 -4.91 120.40 115.15 1q0r s VAL 6 Ca 0.09 -1.03 -0.26 0.00 -1.81 0.00 0.00 61.98 58.97 1q0r s VAL 6 Cb -0.13 -2.13 -0.10 0.00 0.56 0.00 0.00 36.38 34.59 1q0r s VAL 6 CO 0.03 0.45 0.97 -2.16 -0.31 0.00 0.00 175.10 174.07 1q0r s PRO 7 N -1.12 4.57 -0.41 4.82 0.04 -1.26 -0.83 135.00 140.81 1q0r s PRO 7 Ca 0.13 1.40 0.04 0.00 0.04 0.00 0.00 61.00 62.61 1q0r s PRO 7 Cb -0.10 -2.84 0.17 0.00 0.04 0.00 0.00 34.50 31.76 1q0r s PRO 7 CO 0.03 0.25 0.42 0.45 0.04 0.00 0.00 177.00 178.19 1q0r s SER 8 N -1.52 0.81 1.80 6.66 0.15 -0.25 -4.83 113.70 116.52 1q0r s SER 8 Ca 0.50 -2.02 0.00 0.00 0.70 0.00 0.00 55.95 55.13 1q0r s SER 8 Cb -0.21 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 1q0r s SER 8 CO 0.26 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.11 1q0r n GLY 9 N 3.64 3.62 1.17 9.45 0.00 -1.26 -2.06 105.19 119.74 1q0r n GLY 9 Ca 0.17 0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.36 1q0r n GLY 9 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1q0r n ASP 10 N 9.37 3.39 -4.54 1.61 3.85 -1.26 -4.91 116.55 124.05 1q0r n ASP 10 Ca 0.00 -2.00 -0.25 0.00 -0.71 0.00 0.00 54.79 51.83 1q0r n ASP 10 Cb 0.00 -0.42 -0.10 0.00 -1.35 0.00 0.00 41.12 39.25 1q0r n ASP 10 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 1q0r s VAL 11 N -1.15 2.50 -0.07 2.12 -7.23 -0.87 -5.07 120.40 110.63 1q0r s VAL 11 Ca 0.42 -2.21 0.06 0.00 -1.81 0.00 0.00 61.98 58.44 1q0r s VAL 11 Cb 0.22 -2.57 -0.01 0.00 0.56 0.00 0.00 36.38 34.58 1q0r s VAL 11 CO 0.29 -0.28 -0.25 -1.61 -0.31 0.00 0.00 175.10 172.94 1q0r s GLU 12 N -3.60 2.65 -0.14 4.82 2.02 -1.26 -1.09 118.70 122.10 1q0r s GLU 12 Ca 0.32 -0.90 0.01 0.00 0.02 0.00 0.00 54.97 54.43 1q0r s GLU 12 Cb -0.01 -2.18 -0.00 0.00 0.10 0.00 0.00 34.13 32.03 1q0r s GLU 12 CO 0.17 0.33 -0.18 -0.51 0.02 0.00 0.00 175.26 175.09 1q0r s LEU 13 N -0.04 2.38 0.27 1.80 1.43 -0.01 -1.64 118.68 122.87 1q0r s LEU 13 Ca -0.07 -0.49 -0.28 0.00 -1.03 0.00 0.00 54.13 52.26 1q0r s LEU 13 Cb -0.15 -1.52 -0.09 0.00 0.03 0.00 0.00 46.19 44.46 1q0r s LEU 13 CO 0.05 0.11 0.95 0.86 0.23 0.00 0.00 176.35 178.55 1q0r s TRP 14 N 0.65 3.85 -0.02 0.29 -0.00 -1.26 -0.79 118.94 121.66 1q0r s TRP 14 Ca -0.09 1.86 -0.16 0.00 -0.00 0.00 0.00 56.10 57.70 1q0r s TRP 14 Cb -0.16 -2.98 0.03 0.00 -0.00 0.00 0.00 33.47 30.36 1q0r s TRP 14 CO 0.02 0.30 0.35 -1.54 -0.00 0.00 0.00 176.95 176.08 1q0r s SER 15 N -1.33 -0.24 0.24 5.86 1.04 -0.44 -1.10 113.70 117.74 1q0r s SER 15 Ca 0.45 0.16 -0.01 0.00 0.48 0.00 0.00 55.95 57.03 1q0r s SER 15 Cb -0.24 0.34 -0.03 0.00 0.10 0.00 0.00 66.02 66.20 1q0r s SER 15 CO 0.29 -0.46 0.23 1.51 0.98 0.00 0.00 173.24 175.80 1q0r s ASP 16 N -1.28 0.48 0.27 7.02 -4.77 -0.81 -1.09 116.67 116.49 1q0r s ASP 16 Ca -0.13 -1.41 0.02 0.00 -3.30 0.00 0.00 52.55 47.73 1q0r s ASP 16 Cb -0.05 0.46 -0.04 0.00 -1.09 0.00 0.00 42.92 42.20 1q0r s ASP 16 CO 0.05 -0.95 0.16 1.51 0.70 0.00 0.00 175.17 176.63 1q0r s ASP 17 N -3.19 1.03 -0.02 2.11 -4.77 -0.84 -1.63 116.67 109.36 1q0r s ASP 17 Ca 0.37 -1.50 -0.06 0.00 -3.30 0.00 0.00 52.55 48.05 1q0r s ASP 17 Cb 0.05 0.38 0.01 0.00 -1.09 0.00 0.00 42.92 42.26 1q0r s ASP 17 CO 0.15 -0.87 0.14 -0.36 0.70 0.00 0.00 175.17 174.93 1q0r s PHE 18 N -3.79 -0.03 0.00 2.11 0.40 0.01 -4.09 117.98 112.59 1q0r s PHE 18 Ca 0.38 0.05 0.00 0.00 -0.60 0.00 0.00 56.93 56.76 1q0r s PHE 18 Cb 0.06 -0.02 0.00 0.00 0.51 0.00 0.00 43.02 43.57 1q0r s PHE 18 CO 0.17 -0.21 0.00 0.41 0.70 0.00 0.00 175.22 176.28 1q0r n GLY 19 N 2.00 -2.41 3.67 4.36 0.00 -1.26 -1.53 105.19 110.01 1q0r n GLY 19 Ca -0.19 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 43.77 1q0r n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1q0r s ASP 20 N -2.70 7.08 0.65 1.61 -1.08 -1.26 -4.91 116.67 116.06 1q0r s ASP 20 Ca 0.00 1.62 0.32 0.00 -0.52 0.00 0.00 52.55 53.97 1q0r s ASP 20 Cb 0.00 -2.55 1.73 0.00 -1.46 0.00 0.00 42.92 40.64 1q0r s ASP 20 CO 0.00 -0.62 1.97 -0.65 0.52 0.00 0.00 175.17 176.39 1q0r h PRO 21 N 7.56 0.00 0.00 4.34 0.11 -1.93 -1.50 132.00 140.58 1q0r h PRO 21 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1q0r h PRO 21 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1q0r h PRO 21 CO 0.92 0.00 -0.33 0.00 -0.21 0.00 0.00 178.00 178.38 1q0r n ALA 22 N -1.91 2.92 -1.72 -0.75 0.00 -1.26 -4.88 120.51 112.92 1q0r n ALA 22 Ca -0.02 -0.22 -0.31 0.00 0.00 0.00 0.00 53.44 52.89 1q0r n ALA 22 Cb 0.33 -1.27 0.03 0.00 0.00 0.00 0.00 19.45 18.53 1q0r n ALA 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1q0r s ASP 23 N -3.47 5.82 0.33 0.00 1.01 -0.57 -4.99 116.67 114.81 1q0r s ASP 23 Ca 0.11 1.54 -0.29 0.00 0.71 0.00 0.00 52.55 54.62 1q0r s ASP 23 Cb 0.16 -2.49 -0.12 0.00 1.01 0.00 0.00 42.92 41.48 1q0r s ASP 23 CO 0.65 -1.15 1.35 -2.65 0.21 0.00 0.00 175.17 173.58 1q0r n PRO 24 N -2.86 2.21 -2.43 8.23 -0.02 -1.26 -3.93 135.00 134.94 1q0r n PRO 24 Ca 0.07 0.78 -0.41 0.00 -2.02 0.00 0.00 63.50 61.92 1q0r n PRO 24 Cb 0.54 -2.40 -0.04 0.00 -0.02 0.00 0.00 33.50 31.58 1q0r n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q0r s ALA 25 N -0.88 3.41 -0.17 3.55 0.00 -1.26 -0.77 121.76 125.65 1q0r s ALA 25 Ca 0.58 0.90 0.01 0.00 0.00 0.00 0.00 51.96 53.44 1q0r s ALA 25 Cb -0.57 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.20 1q0r s ALA 25 CO 0.60 -0.31 -0.13 -1.17 0.00 0.00 0.00 175.76 174.75 1q0r s LEU 26 N -0.34 1.93 -0.27 0.00 1.98 -0.04 -1.01 118.68 120.93 1q0r s LEU 26 Ca 0.51 -0.65 -0.10 0.00 -2.89 0.00 0.00 54.13 51.00 1q0r s LEU 26 Cb -0.31 -1.20 -0.05 0.00 0.66 0.00 0.00 46.19 45.29 1q0r s LEU 26 CO 0.36 -0.09 0.16 -0.22 -1.89 0.00 0.00 176.35 174.67 1q0r s LEU 27 N 1.45 3.89 -0.10 -0.68 2.96 0.72 -0.40 118.68 126.52 1q0r s LEU 27 Ca 0.02 -0.04 -0.19 0.00 -0.22 0.00 0.00 54.13 53.70 1q0r s LEU 27 Cb -0.14 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 1q0r s LEU 27 CO -0.10 -0.03 0.52 -0.76 -1.32 0.00 0.00 176.35 174.66 1q0r s LEU 28 N 1.64 4.29 -0.25 -0.68 1.43 -0.12 -0.97 118.68 124.03 1q0r s LEU 28 Ca 0.07 0.90 0.03 0.00 -1.03 0.00 0.00 54.13 54.10 1q0r s LEU 28 Cb -0.16 -2.77 0.06 0.00 0.03 0.00 0.00 46.19 43.35 1q0r s LEU 28 CO 0.09 -0.01 -0.11 -0.69 0.23 0.00 0.00 176.35 175.86 1q0r s VAL 29 N 0.59 2.06 0.93 -1.59 1.01 0.37 -4.36 120.40 119.41 1q0r s VAL 29 Ca 0.28 -1.53 -0.12 0.00 0.00 0.00 0.00 61.98 60.61 1q0r s VAL 29 Cb -0.16 -2.17 0.15 0.00 0.00 0.00 0.00 36.38 34.19 1q0r s VAL 29 CO 0.12 -0.01 1.13 -0.04 0.00 0.00 0.00 175.10 176.31 1q0r s MET 30 N 1.16 1.02 0.56 2.72 -1.94 -1.26 -1.84 119.30 119.72 1q0r s MET 30 Ca -0.08 0.31 -0.09 0.00 -1.71 0.00 0.00 55.69 54.11 1q0r s MET 30 Cb -0.19 -1.82 0.14 0.00 2.01 0.00 0.00 34.83 34.96 1q0r s MET 30 CO -0.06 -2.28 0.61 0.41 -0.01 0.00 0.00 175.02 173.69 1q0r n GLY 31 N -2.08 -2.00 3.77 -0.03 0.00 -1.12 -3.29 105.19 100.43 1q0r n GLY 31 Ca 0.06 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.10 1q0r n GLY 31 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1q0r s GLY 32 N -3.96 2.99 -1.91 -0.02 0.00 -1.26 -2.97 107.32 100.20 1q0r s GLY 32 Ca 0.37 1.26 0.00 0.00 0.00 0.00 0.00 44.72 46.35 1q0r s GLY 32 CO 0.27 1.90 0.00 0.70 0.00 0.00 0.00 173.10 175.97 1q0r n ASN 33 N 0.71 -5.31 -4.29 1.64 5.03 -1.26 -4.96 115.26 106.82 1q0r n ASN 33 Ca 0.00 0.45 -0.33 0.00 0.87 0.00 0.00 54.58 55.57 1q0r n ASN 33 Cb 0.42 -4.54 -0.15 0.00 -1.02 0.00 0.00 39.78 34.49 1q0r n ASN 33 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1q0r s LEU 34 N -4.18 2.50 0.00 3.41 1.43 -1.16 -4.30 118.68 116.38 1q0r s LEU 34 Ca 0.00 -0.44 -0.16 0.00 -1.03 0.00 0.00 54.13 52.50 1q0r s LEU 34 Cb 0.00 -1.56 0.23 0.00 0.03 0.00 0.00 46.19 44.89 1q0r s LEU 34 CO 0.00 0.12 1.18 -1.54 0.23 0.00 0.00 176.35 176.35 1q0r n SER 35 N 3.81 -0.43 -0.30 2.29 3.41 -1.26 -4.46 113.62 116.67 1q0r n SER 35 Ca -0.19 -1.37 0.24 0.00 -0.26 0.00 0.00 58.87 57.30 1q0r n SER 35 Cb 0.52 -0.94 0.56 0.00 -0.26 0.00 0.00 64.21 64.08 1q0r n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1q0r h ALA 36 N -2.03 2.40 0.00 7.33 0.00 -1.86 -1.06 119.26 124.03 1q0r h ALA 36 Ca -0.40 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1q0r h ALA 36 Cb 1.12 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1q0r h ALA 36 CO 0.27 -0.77 0.00 1.28 0.00 0.00 0.00 179.25 180.04 1q0r n LEU 37 N -4.52 0.00 0.29 0.00 7.99 -1.26 -1.39 117.00 118.10 1q0r n LEU 37 Ca 0.24 0.22 0.15 0.00 -0.01 0.00 0.00 56.01 56.61 1q0r n LEU 37 Cb 0.91 -0.22 0.86 0.00 -0.11 0.00 0.00 43.42 44.87 1q0r n LEU 37 CO 0.29 -0.05 1.06 1.23 -1.51 0.00 0.00 177.39 178.41 1q0r h GLY 38 N 3.79 0.00 -7.17 -0.72 0.00 -1.52 -3.36 103.07 94.08 1q0r h GLY 38 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.68 1q0r h GLY 38 CO 0.00 0.00 0.20 -0.98 0.00 0.00 0.00 176.54 175.76 1q0r s TRP 39 N -4.36 3.01 0.33 5.60 0.52 -0.49 -5.00 118.94 118.55 1q0r s TRP 39 Ca -0.04 -0.17 -0.28 0.00 0.02 0.00 0.00 56.10 55.63 1q0r s TRP 39 Cb 0.14 -3.55 -0.12 0.00 -1.15 0.00 0.00 33.47 28.78 1q0r s TRP 39 CO 0.55 -1.01 1.31 -2.30 0.02 0.00 0.00 176.95 175.53 1q0r n PRO 40 N 6.48 2.13 -0.31 4.98 -0.02 -1.26 -4.82 135.00 142.18 1q0r n PRO 40 Ca -0.02 0.75 0.08 0.00 -2.02 0.00 0.00 63.50 62.29 1q0r n PRO 40 Cb 0.47 -2.35 0.24 0.00 -0.02 0.00 0.00 33.50 31.85 1q0r n PRO 40 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1q0r h ASP 41 N 2.83 0.62 0.06 2.55 5.19 -1.93 -0.96 116.42 124.77 1q0r h ASP 41 Ca -0.46 0.09 -0.07 0.00 -0.62 0.00 0.00 57.03 55.97 1q0r h ASP 41 Cb 1.28 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.76 1q0r h ASP 41 CO 0.65 0.26 -0.21 -0.33 -3.12 0.00 0.00 179.24 176.49 1q0r h GLU 42 N 0.69 0.27 -0.09 3.56 3.07 -1.99 -0.46 114.58 119.64 1q0r h GLU 42 Ca 0.49 -0.08 -0.04 0.00 -0.50 0.00 0.00 59.36 59.23 1q0r h GLU 42 Cb 0.68 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.56 1q0r h GLU 42 CO -0.35 0.48 -0.11 0.35 -1.40 0.00 0.00 179.01 177.98 1q0r h PHE 43 N 0.25 0.27 -0.98 4.33 3.57 -1.55 -2.29 116.94 120.54 1q0r h PHE 43 Ca 0.04 -0.09 0.08 0.00 3.53 0.00 0.00 57.97 61.54 1q0r h PHE 43 Cb 0.52 -0.06 -0.07 0.00 2.79 0.00 0.00 35.95 39.13 1q0r h PHE 43 CO 0.01 0.68 0.63 0.00 -2.23 0.00 0.00 178.31 177.40 1q0r h ALA 44 N 0.55 1.47 -0.54 2.41 0.00 -1.04 -1.75 119.26 120.35 1q0r h ALA 44 Ca 0.01 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1q0r h ALA 44 Cb 0.64 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1q0r h ALA 44 CO 0.03 0.36 0.06 0.00 0.00 0.00 0.00 179.25 179.70 1q0r h ARG 45 N 1.09 0.91 -0.78 0.00 3.08 -1.09 -0.44 114.38 117.16 1q0r h ARG 45 Ca 0.44 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 1q0r h ARG 45 Cb 0.28 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 1q0r h ARG 45 CO -0.19 0.90 0.42 -0.09 -1.07 0.00 0.00 179.97 179.93 1q0r h ARG 46 N 0.80 1.09 0.11 0.04 9.65 -0.85 0.18 114.38 125.39 1q0r h ARG 46 Ca 0.16 -0.13 -0.01 0.00 -1.10 0.00 0.00 59.98 58.90 1q0r h ARG 46 Cb 0.44 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.81 1q0r h ARG 46 CO 0.02 0.81 -0.05 -0.07 2.80 0.00 0.00 179.97 183.47 1q0r h LEU 47 N 1.08 -0.12 -1.25 3.80 3.38 -1.19 -3.22 115.31 117.79 1q0r h LEU 47 Ca 0.27 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1q0r h LEU 47 Cb 0.04 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1q0r h LEU 47 CO -0.04 0.19 0.52 0.00 0.09 0.00 0.00 178.44 179.19 1q0r h ALA 48 N 0.41 1.50 0.00 1.53 0.00 -0.83 -1.77 119.26 120.10 1q0r h ALA 48 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1q0r h ALA 48 Cb 0.36 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1q0r h ALA 48 CO 0.02 0.43 0.00 -0.25 0.00 0.00 0.00 179.25 179.46 1q0r n ASP 49 N -4.44 0.00 -0.21 0.00 8.00 0.03 -1.16 116.55 118.77 1q0r n ASP 49 Ca 0.10 -0.28 0.14 0.00 0.71 0.00 0.00 54.79 55.46 1q0r n ASP 49 Cb 0.09 -0.15 0.60 0.00 -0.02 0.00 0.00 41.12 41.64 1q0r n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q0r n GLY 50 N 0.27 -0.67 0.00 0.44 0.00 -0.66 -4.92 105.19 99.65 1q0r n GLY 50 Ca 0.12 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1q0r n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q0r n GLY 51 N 1.23 1.16 3.18 -0.02 0.00 -0.31 -5.11 105.19 105.32 1q0r n GLY 51 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 1q0r n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q0r s LEU 52 N 0.00 2.24 -0.70 0.99 1.43 -0.77 -4.19 118.68 117.68 1q0r s LEU 52 Ca 0.00 -0.57 -0.19 0.00 -1.03 0.00 0.00 54.13 52.34 1q0r s LEU 52 Cb 0.00 -0.62 0.12 0.00 0.03 0.00 0.00 46.19 45.72 1q0r s LEU 52 CO 0.00 -0.01 0.84 -2.28 0.23 0.00 0.00 176.35 175.13 1q0r s HIS 53 N -1.10 3.06 -0.16 0.29 5.65 0.05 -4.32 115.29 118.76 1q0r s HIS 53 Ca 0.01 -1.11 -0.21 0.00 0.25 0.00 0.00 55.06 54.00 1q0r s HIS 53 Cb -0.09 -4.09 -0.03 0.00 -1.18 0.00 0.00 32.58 27.19 1q0r s HIS 53 CO 0.02 -1.36 0.62 0.08 -0.65 0.00 0.00 174.74 173.46 1q0r s VAL 54 N 2.61 5.05 -0.08 0.89 1.01 -0.58 -0.86 120.40 128.44 1q0r s VAL 54 Ca 0.18 1.21 0.05 0.00 0.00 0.00 0.00 61.98 63.42 1q0r s VAL 54 Cb -0.17 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 1q0r s VAL 54 CO 0.02 0.17 -0.23 -0.63 0.00 0.00 0.00 175.10 174.43 1q0r s ILE 55 N 1.50 2.20 0.30 2.22 1.01 0.46 -0.81 121.20 128.08 1q0r s ILE 55 Ca 0.30 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 60.00 1q0r s ILE 55 Cb -0.16 -1.83 -0.06 0.00 0.01 0.00 0.00 42.46 40.42 1q0r s ILE 55 CO 0.12 0.56 0.04 0.00 0.00 0.00 0.00 174.94 175.66 1q0r s ARG 56 N 0.06 1.56 0.27 2.79 1.70 -0.65 -0.94 118.95 123.74 1q0r s ARG 56 Ca -0.10 -1.84 -0.20 0.00 -0.47 0.00 0.00 55.73 53.12 1q0r s ARG 56 Cb -0.15 -0.81 0.02 0.00 -0.57 0.00 0.00 34.95 33.43 1q0r s ARG 56 CO 0.06 -0.15 0.68 1.52 -1.08 0.00 0.00 175.30 176.32 1q0r s TYR 57 N -3.32 -0.14 -0.25 5.89 1.13 -1.26 -1.92 117.35 117.48 1q0r s TYR 57 Ca 0.34 -0.29 -0.15 0.00 -1.41 0.00 0.00 57.07 55.57 1q0r s TYR 57 Cb 0.08 0.63 -0.04 0.00 -1.10 0.00 0.00 41.96 41.52 1q0r s TYR 57 CO 0.14 -1.18 0.35 -0.51 -2.51 0.00 0.00 175.55 171.84 1q0r s ASP 58 N -2.92 6.28 0.68 -0.18 1.01 -0.26 -2.58 116.67 118.69 1q0r s ASP 58 Ca 0.12 0.32 -0.17 0.00 0.71 0.00 0.00 52.55 53.53 1q0r s ASP 58 Cb -0.05 -2.20 -0.03 0.00 1.01 0.00 0.00 42.92 41.65 1q0r s ASP 58 CO 0.06 -0.13 0.83 1.41 0.21 0.00 0.00 175.17 177.55 1q0r n HIS 59 N 5.01 0.26 -1.61 4.23 8.25 -1.26 -4.43 115.22 125.66 1q0r n HIS 59 Ca -0.09 0.40 -0.41 0.00 -0.26 0.00 0.00 57.72 57.35 1q0r n HIS 59 Cb 0.51 -2.05 0.01 0.00 1.12 0.00 0.00 29.99 29.58 1q0r n HIS 59 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1q0r n ARG 60 N -1.22 1.34 -1.22 -0.41 1.85 -1.26 -1.65 116.66 114.09 1q0r n ARG 60 Ca 0.13 0.48 -0.08 0.00 -1.00 0.00 0.00 57.85 57.38 1q0r n ARG 60 Cb 0.49 -2.05 -0.03 0.00 -1.05 0.00 0.00 32.46 29.82 1q0r n ARG 60 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1q0r n ASP 61 N 0.48 -4.28 -4.17 2.89 8.00 0.03 -4.98 116.55 114.51 1q0r n ASP 61 Ca 0.09 0.19 -0.11 0.00 0.71 0.00 0.00 54.79 55.67 1q0r n ASP 61 Cb 0.39 -2.46 -0.10 0.00 -0.02 0.00 0.00 41.12 38.93 1q0r n ASP 61 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1q0r s THR 62 N -2.16 0.73 0.00 -3.53 -4.23 -0.66 -4.64 115.64 101.15 1q0r s THR 62 Ca 0.00 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 1q0r s THR 62 Cb 0.00 -1.63 0.00 0.00 1.34 0.00 0.00 72.50 72.21 1q0r s THR 62 CO 0.00 -0.83 0.00 0.61 -0.54 0.00 0.00 174.62 173.86 1q0r n GLY 63 N 0.04 3.40 1.08 3.99 0.00 -1.26 -1.99 105.19 110.44 1q0r n GLY 63 Ca -0.13 0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.07 1q0r n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q0r n ARG 64 N 14.00 3.15 -2.36 1.61 1.74 -1.26 -4.75 116.66 128.78 1q0r n ARG 64 Ca 0.00 -2.54 -0.27 0.00 -0.77 0.00 0.00 57.85 54.27 1q0r n ARG 64 Cb 0.00 -1.61 0.03 0.00 -1.02 0.00 0.00 32.46 29.86 1q0r n ARG 64 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1q0r s SER 65 N -1.15 5.66 0.00 0.55 0.01 -0.84 -4.46 113.70 113.47 1q0r s SER 65 Ca 0.39 0.79 -0.37 0.00 1.31 0.00 0.00 55.95 58.07 1q0r s SER 65 Cb 0.24 -1.80 -0.16 0.00 0.21 0.00 0.00 66.02 64.52 1q0r s SER 65 CO 0.20 -1.03 1.49 0.41 0.41 0.00 0.00 173.24 174.71 1q0r n THR 66 N -2.59 0.10 -4.68 1.44 -1.04 -0.65 -4.40 114.28 102.45 1q0r n THR 66 Ca 0.04 -0.02 -0.25 0.00 -2.04 0.00 0.00 64.05 61.78 1q0r n THR 66 Cb 0.57 -1.05 -0.17 0.00 -1.82 0.00 0.00 70.33 67.87 1q0r n THR 66 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1q0r s THR 67 N 1.41 1.26 0.07 12.58 2.01 -1.26 -0.79 115.64 130.92 1q0r s THR 67 Ca 0.87 -0.56 -0.13 0.00 0.31 0.00 0.00 61.69 62.18 1q0r s THR 67 Cb -0.94 -1.14 0.02 0.00 0.01 0.00 0.00 72.50 70.45 1q0r s THR 67 CO 0.50 0.38 0.29 -0.60 -0.69 0.00 0.00 174.62 174.51 1q0r s ARG 68 N 0.55 0.85 -0.20 4.92 3.52 -1.26 -5.00 118.95 122.34 1q0r s ARG 68 Ca -0.14 -0.64 -0.29 0.00 -0.13 0.00 0.00 55.73 54.54 1q0r s ARG 68 Cb -0.15 0.36 -0.04 0.00 -1.56 0.00 0.00 34.95 33.56 1q0r s ARG 68 CO 0.04 -0.28 1.75 0.34 -0.81 0.00 0.00 175.30 176.34 1q0r s ASP 69 N -2.34 6.23 0.19 -2.12 2.15 -1.26 -4.90 116.67 114.62 1q0r s ASP 69 Ca -0.02 1.76 -0.12 0.00 0.43 0.00 0.00 52.55 54.60 1q0r s ASP 69 Cb 0.01 -2.53 0.12 0.00 -0.30 0.00 0.00 42.92 40.22 1q0r s ASP 69 CO -0.06 -1.36 1.86 0.15 -0.17 0.00 0.00 175.17 175.59 1q0r h PHE 70 N 11.42 0.82 -0.80 -5.34 3.57 -1.95 -2.74 116.94 121.91 1q0r h PHE 70 Ca -0.36 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.26 1q0r h PHE 70 Cb 1.18 -0.28 -0.06 0.00 2.79 0.00 0.00 35.95 39.58 1q0r h PHE 70 CO 0.92 0.51 0.53 0.00 -2.23 0.00 0.00 178.31 178.04 1q0r h ALA 71 N 1.24 1.79 0.00 2.41 0.00 -1.99 -0.99 119.26 121.72 1q0r h ALA 71 Ca 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1q0r h ALA 71 Cb -0.09 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1q0r h ALA 71 CO -0.06 0.04 -0.31 0.00 0.00 0.00 0.00 179.25 178.92 1q0r h ALA 72 N 1.60 0.80 -1.34 0.00 0.00 -1.90 -3.40 119.26 115.03 1q0r h ALA 72 Ca 0.38 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.85 1q0r h ALA 72 Cb 0.50 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 17.98 1q0r h ALA 72 CO -0.15 0.00 -0.91 1.58 0.00 0.00 0.00 179.25 179.77 1q0r n HIS 73 N -2.33 -1.29 -2.19 0.00 -0.00 -0.45 -5.09 115.22 103.86 1q0r n HIS 73 Ca 0.04 -3.00 -0.36 0.00 -0.00 0.00 0.00 57.72 54.40 1q0r n HIS 73 Cb 0.45 0.28 0.01 0.00 -0.00 0.00 0.00 29.99 30.73 1q0r n HIS 73 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1q0r s PRO 74 N -0.68 3.33 0.26 1.57 0.04 -0.74 -4.75 135.00 134.04 1q0r s PRO 74 Ca 0.34 1.70 -0.06 0.00 0.04 0.00 0.00 61.00 63.03 1q0r s PRO 74 Cb 0.21 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 1q0r s PRO 74 CO -0.15 -0.89 0.37 1.52 0.04 0.00 0.00 177.00 177.89 1q0r s TYR 75 N -1.68 0.85 0.00 0.56 1.13 -1.26 -5.12 117.35 111.82 1q0r s TYR 75 Ca 0.72 -1.11 0.00 0.00 -1.41 0.00 0.00 57.07 55.27 1q0r s TYR 75 Cb -0.27 -0.14 0.00 0.00 -1.10 0.00 0.00 41.96 40.45 1q0r s TYR 75 CO 0.30 -0.93 0.00 0.41 -2.51 0.00 0.00 175.55 172.82 1q0r n GLY 76 N -0.41 5.19 0.24 5.49 0.00 -1.26 -4.72 105.19 109.72 1q0r n GLY 76 Ca 0.01 -1.55 0.12 0.00 0.00 0.00 0.00 46.02 44.60 1q0r n GLY 76 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1q0r h PHE 77 N 0.22 0.00 -0.53 1.61 -1.00 -1.97 -2.29 116.94 112.98 1q0r h PHE 77 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1q0r h PHE 77 Cb 0.00 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.54 1q0r h PHE 77 CO 0.00 0.15 0.28 0.78 -1.61 0.00 0.00 178.31 177.91 1q0r h GLY 78 N 1.93 0.80 1.05 -1.45 0.00 -1.96 -0.18 103.07 103.26 1q0r h GLY 78 Ca -0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 47.33 46.85 1q0r h GLY 78 CO 0.02 0.36 -0.09 0.83 0.00 0.00 0.00 176.54 177.66 1q0r h GLU 79 N 0.71 0.95 -0.33 4.80 3.07 -1.85 -1.44 114.58 120.49 1q0r h GLU 79 Ca 0.19 -0.35 -0.07 0.00 -0.50 0.00 0.00 59.36 58.63 1q0r h GLU 79 Cb 0.07 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 1q0r h GLU 79 CO -0.03 1.01 -0.10 -0.07 -1.40 0.00 0.00 179.01 178.42 1q0r h LEU 80 N 0.81 0.53 -0.13 1.33 3.38 -1.16 0.14 115.31 120.20 1q0r h LEU 80 Ca 0.13 -0.14 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 1q0r h LEU 80 Cb 0.64 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.26 1q0r h LEU 80 CO 0.04 0.68 -0.64 0.00 0.09 0.00 0.00 178.44 178.61 1q0r h ALA 81 N 1.38 0.25 -0.25 1.53 0.00 -0.97 -2.73 119.26 118.48 1q0r h ALA 81 Ca 0.10 -0.55 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 1q0r h ALA 81 Cb 0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1q0r h ALA 81 CO 0.03 0.54 -0.21 0.00 0.00 0.00 0.00 179.25 179.61 1q0r h ALA 82 N 0.51 1.18 -0.58 0.00 0.00 -1.03 -2.37 119.26 116.97 1q0r h ALA 82 Ca -0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1q0r h ALA 82 Cb 1.28 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1q0r h ALA 82 CO 0.13 0.52 0.33 -0.44 0.00 0.00 0.00 179.25 179.79 1q0r h ASP 83 N 0.41 0.72 -0.73 0.00 3.32 -0.95 0.90 116.42 120.09 1q0r h ASP 83 Ca 0.07 -0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.06 1q0r h ASP 83 Cb 0.59 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.92 1q0r h ASP 83 CO 0.04 0.60 0.47 0.00 -1.72 0.00 0.00 179.24 178.62 1q0r h ALA 84 N 1.15 0.95 -0.37 3.45 0.00 -1.13 -1.37 119.26 121.94 1q0r h ALA 84 Ca 0.20 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1q0r h ALA 84 Cb 0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1q0r h ALA 84 CO -0.03 0.28 -0.14 0.28 0.00 0.00 0.00 179.25 179.64 1q0r h VAL 85 N 0.93 1.25 -0.22 0.00 2.07 -1.06 -2.32 116.25 116.89 1q0r h VAL 85 Ca 0.29 -1.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 1q0r h VAL 85 Cb -0.02 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1q0r h VAL 85 CO -0.10 0.39 0.07 0.00 0.02 0.00 0.00 177.57 177.95 1q0r h ALA 86 N 1.24 1.71 -0.41 1.67 0.00 -0.09 -0.42 119.26 122.96 1q0r h ALA 86 Ca 0.10 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1q0r h ALA 86 Cb 0.58 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1q0r h ALA 86 CO 0.04 0.23 0.01 0.28 0.00 0.00 0.00 179.25 179.81 1q0r h VAL 87 N 0.31 1.26 -0.35 0.00 2.07 -0.73 0.03 116.25 118.83 1q0r h VAL 87 Ca 0.08 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 66.62 1q0r h VAL 87 Cb 0.10 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1q0r h VAL 87 CO -0.01 0.34 0.20 -0.07 0.02 0.00 0.00 177.57 178.06 1q0r h LEU 88 N 0.56 0.33 -0.70 2.57 3.38 -1.04 -2.00 115.31 118.41 1q0r h LEU 88 Ca 0.12 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.20 1q0r h LEU 88 Cb 0.46 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.07 1q0r h LEU 88 CO 0.02 0.24 0.31 0.44 0.09 0.00 0.00 178.44 179.54 1q0r h ASP 89 N 0.42 0.36 0.80 -0.43 3.32 -0.90 -0.52 116.42 119.47 1q0r h ASP 89 Ca 0.14 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1q0r h ASP 89 Cb 0.00 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1q0r h ASP 89 CO -0.06 0.19 0.00 1.23 -1.72 0.00 0.00 179.24 178.88 1q0r h GLY 90 N 0.52 0.00 -1.63 2.75 0.00 -0.29 -1.64 103.07 102.78 1q0r h GLY 90 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1q0r h GLY 90 CO -0.31 0.00 0.00 0.79 0.00 0.00 0.00 176.54 177.02 1q0r n TRP 91 N -2.95 0.53 -2.07 5.60 7.02 -0.86 -4.99 117.44 119.72 1q0r n TRP 91 Ca 0.00 -0.42 -0.14 0.00 -1.02 0.00 0.00 57.50 55.92 1q0r n TRP 91 Cb 0.25 -0.02 -0.02 0.00 -2.42 0.00 0.00 31.31 29.11 1q0r n TRP 91 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1q0r n GLY 92 N 0.86 0.16 3.66 6.99 0.00 -0.62 -4.99 105.19 111.25 1q0r n GLY 92 Ca 0.14 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 1q0r n GLY 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q0r s VAL 93 N -2.64 5.26 -0.13 1.61 1.01 -0.29 -4.99 120.40 120.23 1q0r s VAL 93 Ca 0.00 0.49 -0.22 0.00 0.00 0.00 0.00 61.98 62.25 1q0r s VAL 93 Cb 0.00 -3.64 -0.20 0.00 0.00 0.00 0.00 36.38 32.54 1q0r s VAL 93 CO 0.00 0.28 0.60 -0.78 0.00 0.00 0.00 175.10 175.19 1q0r h ASP 94 N 7.52 -0.00 -4.12 3.32 3.58 -1.93 -3.39 116.42 121.40 1q0r h ASP 94 Ca -0.36 -0.75 -0.43 0.00 0.42 0.00 0.00 57.03 55.90 1q0r h ASP 94 Cb 1.17 0.00 -0.29 0.00 1.72 0.00 0.00 39.33 41.93 1q0r h ASP 94 CO 0.68 0.87 -0.79 -0.13 -2.88 0.00 0.00 179.24 176.99 1q0r s ARG 95 N -2.11 0.92 0.07 0.28 0.52 -1.26 -4.47 118.95 112.91 1q0r s ARG 95 Ca -0.14 -0.42 0.04 0.00 -0.52 0.00 0.00 55.73 54.69 1q0r s ARG 95 Cb -0.02 -0.89 -0.03 0.00 0.52 0.00 0.00 34.95 34.53 1q0r s ARG 95 CO 0.52 0.24 -0.12 0.00 0.02 0.00 0.00 175.30 175.97 1q0r s ALA 96 N -0.29 1.07 -0.29 2.13 0.00 -0.60 -4.64 121.76 119.15 1q0r s ALA 96 Ca 0.04 -1.01 -0.29 0.00 0.00 0.00 0.00 51.96 50.70 1q0r s ALA 96 Cb -0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 1q0r s ALA 96 CO -0.00 0.09 1.38 -1.01 0.00 0.00 0.00 175.76 176.22 1q0r s HIS 97 N -1.58 2.53 -0.13 0.00 3.76 -0.18 -0.64 115.29 119.05 1q0r s HIS 97 Ca -0.01 0.78 -0.05 0.00 -0.15 0.00 0.00 55.06 55.63 1q0r s HIS 97 Cb -0.08 -3.95 -0.04 0.00 1.11 0.00 0.00 32.58 29.62 1q0r s HIS 97 CO 0.02 -2.03 0.05 0.08 -0.85 0.00 0.00 174.74 172.01 1q0r s VAL 98 N 4.64 4.70 -0.18 -0.90 1.01 -0.61 -0.20 120.40 128.85 1q0r s VAL 98 Ca 0.60 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.51 1q0r s VAL 98 Cb -0.18 -3.04 0.03 0.00 0.00 0.00 0.00 36.38 33.18 1q0r s VAL 98 CO 0.25 0.55 -0.17 -0.69 0.00 0.00 0.00 175.10 175.05 1q0r s VAL 99 N -0.41 1.90 -0.13 2.92 1.01 -0.14 -0.51 120.40 125.05 1q0r s VAL 99 Ca 0.09 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.12 1q0r s VAL 99 Cb -0.12 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 1q0r s VAL 99 CO 0.02 0.42 -0.13 -0.83 0.00 0.00 0.00 175.10 174.58 1q0r s GLY 100 N 1.33 1.55 -0.10 4.51 0.00 0.39 -0.48 107.32 114.52 1q0r s GLY 100 Ca 0.03 -0.88 0.03 0.00 0.00 0.00 0.00 44.72 43.89 1q0r s GLY 100 CO -0.11 -0.20 -0.21 -2.27 0.00 0.00 0.00 173.10 170.31 1q0r s LEU 101 N 0.32 2.25 0.00 0.66 0.20 -0.77 -1.57 118.68 119.79 1q0r s LEU 101 Ca -0.10 -0.49 0.00 0.00 0.69 0.00 0.00 54.13 54.22 1q0r s LEU 101 Cb -0.16 -1.46 0.00 0.00 -0.43 0.00 0.00 46.19 44.14 1q0r s LEU 101 CO 0.05 0.17 0.00 -0.24 -0.29 0.00 0.00 176.35 176.04 1q0r n SER 102 N 3.47 0.00 0.24 3.68 2.88 -0.06 -0.12 113.62 123.71 1q0r n SER 102 Ca -0.19 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.51 1q0r n SER 102 Cb 0.53 0.00 0.83 0.00 -0.75 0.00 0.00 64.21 64.82 1q0r n SER 102 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 1q0r h MET 103 N 0.00 0.00 0.00 -1.46 1.85 -1.86 -0.62 114.93 112.84 1q0r h MET 103 Ca 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.08 1q0r h MET 103 Cb 0.00 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.03 1q0r h MET 103 CO 0.00 0.00 -0.06 0.78 -0.40 0.00 0.00 176.91 177.23 1q0r h GLY 104 N 0.00 0.00 1.59 1.39 0.00 -0.51 -1.88 103.07 103.66 1q0r h GLY 104 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.31 1q0r h GLY 104 CO -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 176.54 176.43 1q0r h ALA 105 N 1.94 1.26 -0.27 3.60 0.00 -1.15 -0.18 119.26 124.46 1q0r h ALA 105 Ca -0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1q0r h ALA 105 Cb 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1q0r h ALA 105 CO 0.01 0.49 0.06 1.15 0.00 0.00 0.00 179.25 180.95 1q0r h THR 106 N 0.47 1.22 -0.63 0.00 2.02 -1.43 -1.36 112.91 113.19 1q0r h THR 106 Ca 0.09 -0.74 0.08 0.00 0.77 0.00 0.00 66.41 66.61 1q0r h THR 106 Cb 0.47 1.19 -0.06 0.00 -1.74 0.00 0.00 68.15 68.01 1q0r h THR 106 CO 0.03 0.24 0.30 0.40 0.37 0.00 0.00 175.52 176.85 1q0r h ILE 107 N 0.26 0.86 0.00 3.11 2.04 -1.13 -2.48 117.51 120.17 1q0r h ILE 107 Ca 0.08 -0.18 -0.09 0.00 1.00 0.00 0.00 64.86 65.66 1q0r h ILE 107 Cb 0.30 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1q0r h ILE 107 CO 0.00 0.10 -0.45 0.71 0.00 0.00 0.00 178.15 178.51 1q0r h THR 108 N 0.54 1.04 -0.74 -0.27 1.35 -0.82 -0.99 112.91 113.02 1q0r h THR 108 Ca 0.30 -1.71 -0.05 0.00 -0.55 0.00 0.00 66.41 64.40 1q0r h THR 108 Cb 0.30 2.00 -0.03 0.00 -1.73 0.00 0.00 68.15 68.69 1q0r h THR 108 CO -0.24 0.44 0.27 1.56 -0.25 0.00 0.00 175.52 177.30 1q0r h GLN 109 N 0.00 1.11 -0.44 4.72 4.20 -0.86 -0.36 115.11 123.48 1q0r h GLN 109 Ca -0.00 -0.21 -0.11 0.00 0.06 0.00 0.00 58.65 58.39 1q0r h GLN 109 Cb 0.97 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.56 1q0r h GLN 109 CO 0.06 0.92 -0.16 0.28 -0.67 0.00 0.00 178.83 179.25 1q0r h VAL 110 N 1.08 1.27 -0.62 -0.54 2.07 -0.94 -1.90 116.25 116.66 1q0r h VAL 110 Ca 0.24 -1.28 0.02 0.00 0.82 0.00 0.00 66.70 66.51 1q0r h VAL 110 Cb 0.24 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 1q0r h VAL 110 CO -0.02 0.43 0.39 0.40 0.02 0.00 0.00 177.57 178.80 1q0r h ILE 111 N 0.75 1.10 -0.17 4.57 2.04 -0.95 -0.69 117.51 124.16 1q0r h ILE 111 Ca 0.11 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 1q0r h ILE 111 Cb 0.68 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1q0r h ILE 111 CO 0.05 0.14 -0.03 0.00 0.00 0.00 0.00 178.15 178.32 1q0r h ALA 112 N 1.26 1.64 0.16 1.87 0.00 -0.66 0.24 119.26 123.77 1q0r h ALA 112 Ca 0.24 -0.13 -0.25 0.00 0.00 0.00 0.00 54.91 54.78 1q0r h ALA 112 Cb -0.01 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.71 1q0r h ALA 112 CO -0.09 0.27 -1.14 -0.07 0.00 0.00 0.00 179.25 178.22 1q0r h LEU 113 N 0.24 0.53 0.00 0.00 3.38 -0.93 -3.34 115.31 115.20 1q0r h LEU 113 Ca 0.06 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.11 1q0r h LEU 113 Cb 0.21 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1q0r h LEU 113 CO 0.01 1.53 -0.50 0.47 0.09 0.00 0.00 178.44 180.04 1q0r n ASP 114 N -3.97 0.55 -2.78 -0.43 8.00 -0.30 -4.55 116.55 113.06 1q0r n ASP 114 Ca -0.18 -0.70 -0.02 0.00 0.71 0.00 0.00 54.79 54.60 1q0r n ASP 114 Cb 0.91 1.02 0.05 0.00 -0.02 0.00 0.00 41.12 43.08 1q0r n ASP 114 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1q0r n HIS 115 N -1.26 1.34 -0.07 1.24 8.25 0.81 -4.93 115.22 120.60 1q0r n HIS 115 Ca 0.02 -2.20 0.01 0.00 -0.26 0.00 0.00 57.72 55.29 1q0r n HIS 115 Cb 0.16 -0.25 0.32 0.00 1.12 0.00 0.00 29.99 31.34 1q0r n HIS 115 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1q0r h HIS 116 N 2.62 0.67 0.00 4.41 6.17 -1.63 -1.44 115.15 125.94 1q0r h HIS 116 Ca -0.11 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 60.96 1q0r h HIS 116 Cb 1.28 -0.21 0.00 0.00 2.52 0.00 0.00 27.41 30.99 1q0r h HIS 116 CO 0.52 0.49 0.04 -0.40 0.71 0.00 0.00 177.93 179.29 1q0r n ASP 117 N -4.39 0.33 -1.22 3.26 3.85 -1.26 -2.15 116.55 114.97 1q0r n ASP 117 Ca 0.04 0.63 0.11 0.00 -0.71 0.00 0.00 54.79 54.86 1q0r n ASP 117 Cb 0.12 -0.67 0.27 0.00 -1.35 0.00 0.00 41.12 39.49 1q0r n ASP 117 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1q0r n ARG 118 N -1.94 2.64 -4.50 0.11 5.12 -0.54 -4.78 116.66 112.78 1q0r n ARG 118 Ca -0.01 -2.48 -0.34 0.00 -1.93 0.00 0.00 57.85 53.10 1q0r n ARG 118 Cb 0.06 -1.52 -0.12 0.00 -1.16 0.00 0.00 32.46 29.71 1q0r n ARG 118 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1q0r s LEU 119 N -1.14 3.15 -0.04 0.55 1.43 -0.91 -1.56 118.68 120.16 1q0r s LEU 119 Ca 0.43 -0.14 -0.04 0.00 -1.03 0.00 0.00 54.13 53.35 1q0r s LEU 119 Cb 0.23 -1.74 -0.28 0.00 0.03 0.00 0.00 46.19 44.44 1q0r s LEU 119 CO 0.31 0.20 0.70 0.28 0.23 0.00 0.00 176.35 178.07 1q0r h SER 120 N 6.47 0.40 -5.17 2.29 0.02 -1.15 -3.44 113.55 112.97 1q0r h SER 120 Ca -0.33 -0.65 0.17 0.00 -0.84 0.00 0.00 61.79 60.14 1q0r h SER 120 Cb 1.19 -0.13 -0.10 0.00 0.14 0.00 0.00 62.40 63.50 1q0r h SER 120 CO 0.60 1.56 0.50 -0.94 -1.14 0.00 0.00 176.83 177.40 1q0r s SER 121 N -6.96 -0.22 -0.04 3.07 1.04 -1.23 -4.41 113.70 104.95 1q0r s SER 121 Ca -0.13 -0.29 0.03 0.00 0.48 0.00 0.00 55.95 56.04 1q0r s SER 121 Cb 0.07 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1q0r s SER 121 CO 0.83 -0.81 -0.12 -0.22 0.98 0.00 0.00 173.24 173.91 1q0r s LEU 122 N -2.83 1.79 -0.04 2.42 2.96 -0.13 -1.57 118.68 121.27 1q0r s LEU 122 Ca 0.10 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 1q0r s LEU 122 Cb -0.01 -0.71 0.00 0.00 0.50 0.00 0.00 46.19 45.98 1q0r s LEU 122 CO -0.01 0.08 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.09 1q0r s THR 123 N 0.24 1.08 -0.03 3.68 2.01 0.33 -0.53 115.64 122.42 1q0r s THR 123 Ca -0.05 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.46 1q0r s THR 123 Cb -0.11 -0.95 0.01 0.00 0.01 0.00 0.00 72.50 71.46 1q0r s THR 123 CO 0.01 0.33 -0.08 -0.04 -0.69 0.00 0.00 174.62 174.15 1q0r s MET 124 N 0.25 0.87 0.04 4.92 -1.94 -0.00 -0.46 119.30 122.97 1q0r s MET 124 Ca -0.06 -0.25 -0.02 0.00 -1.71 0.00 0.00 55.69 53.66 1q0r s MET 124 Cb -0.11 -0.82 -0.02 0.00 2.01 0.00 0.00 34.83 35.88 1q0r s MET 124 CO 0.02 0.07 0.00 -0.48 -0.01 0.00 0.00 175.02 174.62 1q0r s LEU 125 N 0.32 2.21 -1.63 -0.03 2.34 -0.61 -0.53 118.68 120.75 1q0r s LEU 125 Ca -0.05 -0.69 0.00 0.00 0.06 0.00 0.00 54.13 53.45 1q0r s LEU 125 Cb -0.09 0.27 0.00 0.00 -0.56 0.00 0.00 46.19 45.81 1q0r s LEU 125 CO 0.00 -0.47 0.00 0.18 -1.06 0.00 0.00 176.35 175.01 1q0r n LEU 126 N 0.83 -1.57 0.00 1.48 4.77 -1.23 -0.88 117.00 120.40 1q0r n LEU 126 Ca -0.19 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1q0r n LEU 126 Cb 0.58 -2.50 0.00 0.00 -2.33 0.00 0.00 43.42 39.17 1q0r n LEU 126 CO 0.24 -0.48 0.00 0.61 -1.33 0.00 0.00 177.39 176.43 1q0r n GLY 127 N -0.95 5.10 3.52 -0.72 0.00 -1.26 -3.58 105.19 107.29 1q0r n GLY 127 Ca -0.19 -1.42 -0.07 0.00 0.00 0.00 0.00 46.02 44.34 1q0r n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q0r n GLY 128 N 0.00 0.97 3.79 -0.02 0.00 -1.26 -4.63 105.19 104.03 1q0r n GLY 128 Ca 0.00 -1.22 -0.32 0.00 0.00 0.00 0.00 46.02 44.48 1q0r n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1q0r s GLY 129 N -3.01 1.86 0.54 -0.02 0.00 -1.26 -4.68 107.32 100.75 1q0r s GLY 129 Ca 0.16 0.32 0.36 0.00 0.00 0.00 0.00 44.72 45.56 1q0r s GLY 129 CO 0.10 0.65 2.09 1.41 0.00 0.00 0.00 173.10 177.35 1q0r h LEU 130 N -0.52 0.00 -0.44 0.66 3.38 -1.94 -1.25 115.31 115.21 1q0r h LEU 130 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1q0r h LEU 130 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1q0r h LEU 130 CO 0.54 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.17 1q0r n ASP 131 N -2.86 0.67 -4.57 -0.43 5.75 -1.26 -4.15 116.55 109.69 1q0r n ASP 131 Ca -0.01 -1.46 -0.41 0.00 -0.01 0.00 0.00 54.79 52.90 1q0r n ASP 131 Cb 0.13 -0.03 -0.08 0.00 -1.03 0.00 0.00 41.12 40.12 1q0r n ASP 131 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1q0r s ILE 132 N -1.93 5.02 -1.37 2.12 -1.09 -0.47 -4.90 121.20 118.56 1q0r s ILE 132 Ca 0.33 0.50 -0.14 0.00 -2.23 0.00 0.00 60.65 59.11 1q0r s ILE 132 Cb 0.16 -3.94 0.08 0.00 -1.58 0.00 0.00 42.46 37.18 1q0r s ILE 132 CO 0.26 -0.15 1.99 -0.67 -1.23 0.00 0.00 174.94 175.15 1q0r n ASP 133 N 5.73 4.44 -0.09 3.58 2.03 -1.26 -4.83 116.55 126.15 1q0r n ASP 133 Ca -0.04 -2.92 -0.09 0.00 0.52 0.00 0.00 54.79 52.25 1q0r n ASP 133 Cb 0.49 -1.64 -0.02 0.00 -0.72 0.00 0.00 41.12 39.23 1q0r n ASP 133 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1q0r h PHE 134 N 6.39 0.40 -0.62 -0.67 3.57 -1.94 0.01 116.94 124.09 1q0r h PHE 134 Ca 0.49 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.93 1q0r h PHE 134 Cb 0.71 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 1q0r h PHE 134 CO 1.39 0.33 0.20 -0.44 -2.23 0.00 0.00 178.31 177.56 1q0r h ASP 135 N 0.36 0.89 -0.33 0.41 3.32 -2.01 -1.66 116.42 117.40 1q0r h ASP 135 Ca 0.10 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 1q0r h ASP 135 Cb 0.06 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1q0r h ASP 135 CO -0.02 0.86 0.09 0.00 -1.72 0.00 0.00 179.24 178.46 1q0r h ALA 136 N 1.07 1.40 -0.02 3.45 0.00 -1.87 -2.69 119.26 120.60 1q0r h ALA 136 Ca 0.20 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1q0r h ALA 136 Cb 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1q0r h ALA 136 CO -0.01 0.43 -0.51 -0.91 0.00 0.00 0.00 179.25 178.25 1q0r h ASN 137 N 0.59 0.06 -0.27 0.00 2.35 -0.30 -0.70 115.58 117.32 1q0r h ASN 137 Ca 0.14 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 1q0r h ASN 137 Cb 0.24 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1q0r h ASN 137 CO -0.00 0.56 0.12 0.40 -1.65 0.00 0.00 177.43 176.86 1q0r h ILE 138 N 0.04 1.16 -0.55 2.81 2.04 -1.00 -0.17 117.51 121.85 1q0r h ILE 138 Ca -0.00 -0.49 0.03 0.00 1.00 0.00 0.00 64.86 65.40 1q0r h ILE 138 Cb 0.92 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 1q0r h ILE 138 CO 0.07 0.17 0.33 -0.08 0.00 0.00 0.00 178.15 178.63 1q0r h GLU 139 N 0.29 0.63 -0.47 2.37 4.81 -1.33 -2.52 114.58 118.36 1q0r h GLU 139 Ca 0.09 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 1q0r h GLU 139 Cb 0.16 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1q0r h GLU 139 CO -0.01 0.42 0.06 0.00 -0.73 0.00 0.00 179.01 178.74 1q0r h ARG 140 N 0.65 0.79 -0.26 1.92 3.08 -0.83 -2.69 114.38 117.04 1q0r h ARG 140 Ca 0.22 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1q0r h ARG 140 Cb 0.03 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1q0r h ARG 140 CO -0.10 0.82 -0.15 -0.39 -1.07 0.00 0.00 179.97 179.07 1q0r h VAL 141 N 0.66 1.23 0.00 2.04 -1.51 -0.91 0.12 116.25 117.88 1q0r h VAL 141 Ca 0.14 -1.04 -0.08 0.00 -1.23 0.00 0.00 66.70 64.48 1q0r h VAL 141 Cb 0.42 1.20 -0.01 0.00 -2.13 0.00 0.00 31.29 30.77 1q0r h VAL 141 CO 0.01 0.34 -0.40 0.24 -1.23 0.00 0.00 177.57 176.53 1q0r h MET 142 N 0.42 0.00 -0.01 5.19 2.86 -1.31 -2.83 114.93 119.24 1q0r h MET 142 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1q0r h MET 142 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1q0r h MET 142 CO 0.03 0.40 -0.28 0.54 1.06 0.00 0.00 176.91 178.66 1q0r n ARG 143 N -3.97 1.14 -1.81 1.72 1.74 -0.88 -4.96 116.66 109.64 1q0r n ARG 143 Ca -0.02 -0.79 -0.06 0.00 -0.77 0.00 0.00 57.85 56.22 1q0r n ARG 143 Cb 0.44 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.39 1q0r n ARG 143 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q0r n GLY 144 N 1.35 0.35 3.91 -0.13 0.00 -0.36 -5.05 105.19 105.26 1q0r n GLY 144 Ca 0.12 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 1q0r n GLY 144 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q0r s GLU 145 N -3.72 3.52 0.56 1.61 0.41 0.27 -5.01 118.70 116.34 1q0r s GLU 145 Ca 0.00 -0.28 -0.18 0.00 -0.41 0.00 0.00 54.97 54.10 1q0r s GLU 145 Cb 0.00 -2.95 -0.05 0.00 -1.78 0.00 0.00 34.13 29.35 1q0r s GLU 145 CO 0.00 0.54 1.09 -1.25 -0.49 0.00 0.00 175.26 175.14 1q0r s PRO 146 N -2.62 3.36 0.53 0.39 0.04 -1.26 -4.08 135.00 131.36 1q0r s PRO 146 Ca 0.38 1.42 -0.20 0.00 0.04 0.00 0.00 61.00 62.64 1q0r s PRO 146 Cb -0.12 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.33 1q0r s PRO 146 CO 0.27 -0.80 1.14 0.95 0.04 0.00 0.00 177.00 178.59 1q0r s THR 147 N -2.08 3.13 -0.77 1.26 -4.23 -1.26 -4.94 115.64 106.75 1q0r s THR 147 Ca 0.68 0.73 0.26 0.00 -1.18 0.00 0.00 61.69 62.19 1q0r s THR 147 Cb -0.20 -3.31 0.28 0.00 1.34 0.00 0.00 72.50 70.61 1q0r s THR 147 CO 0.30 -0.13 1.80 0.18 -0.54 0.00 0.00 174.62 176.23 1q0r n LEU 148 N -1.17 0.66 0.08 4.79 4.77 -1.26 -2.91 117.00 121.97 1q0r n LEU 148 Ca 0.11 0.57 0.12 0.00 -0.03 0.00 0.00 56.01 56.78 1q0r n LEU 148 Cb 0.50 -0.36 0.19 0.00 -2.33 0.00 0.00 43.42 41.42 1q0r n LEU 148 CO 0.43 -0.17 0.43 -2.24 -1.33 0.00 0.00 177.39 174.52 1q0r h ASP 149 N 0.00 0.00 0.00 -1.43 3.04 -1.92 -3.48 116.42 112.63 1q0r h ASP 149 Ca 0.00 -0.14 0.00 0.00 -3.24 0.00 0.00 57.03 53.65 1q0r h ASP 149 Cb 0.68 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.97 1q0r h ASP 149 CO 0.00 0.07 0.00 0.61 -2.04 0.00 0.00 179.24 177.88 1q0r n GLY 150 N 1.30 1.84 3.93 7.15 0.00 -1.15 -5.03 105.19 113.23 1q0r n GLY 150 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1q0r n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q0r s LEU 151 N 0.00 3.71 0.28 0.99 1.43 -1.26 -5.00 118.68 118.83 1q0r s LEU 151 Ca 0.00 0.55 -0.30 0.00 -1.03 0.00 0.00 54.13 53.36 1q0r s LEU 151 Cb 0.00 -3.44 -0.11 0.00 0.03 0.00 0.00 46.19 42.67 1q0r s LEU 151 CO 0.00 -0.59 1.49 -2.84 0.23 0.00 0.00 176.35 174.64 1q0r s PRO 152 N -4.58 4.21 1.00 1.29 0.02 -1.26 -4.68 135.00 131.00 1q0r s PRO 152 Ca 0.46 2.41 -0.17 0.00 0.02 0.00 0.00 61.00 63.72 1q0r s PRO 152 Cb -0.10 -3.07 0.22 0.00 0.02 0.00 0.00 34.50 31.58 1q0r s PRO 152 CO 0.40 -0.48 1.32 0.20 -0.33 0.00 0.00 177.00 178.11 1q0r s GLY 153 N 0.31 1.79 0.52 0.52 0.00 -1.26 -4.60 107.32 104.60 1q0r s GLY 153 Ca 0.59 -1.26 -0.22 0.00 0.00 0.00 0.00 44.72 43.84 1q0r s GLY 153 CO 0.47 -0.44 1.22 -1.05 0.00 0.00 0.00 173.10 173.30 1q0r n PRO 154 N -3.92 1.51 -3.57 2.90 -0.02 -1.25 -4.72 135.00 125.93 1q0r n PRO 154 Ca 0.16 0.56 -0.24 0.00 -2.02 0.00 0.00 63.50 61.95 1q0r n PRO 154 Cb 0.59 -2.39 0.03 0.00 -0.02 0.00 0.00 33.50 31.71 1q0r n PRO 154 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1q0r s GLN 155 N -2.64 2.23 0.24 -0.52 -1.52 0.55 -4.96 119.66 113.04 1q0r s GLN 155 Ca 0.70 -1.93 -0.05 0.00 -1.95 0.00 0.00 55.36 52.13 1q0r s GLN 155 Cb -0.45 -2.29 0.36 0.00 -0.22 0.00 0.00 33.01 30.41 1q0r s GLN 155 CO 0.51 -0.78 1.81 0.37 -0.25 0.00 0.00 175.29 176.95 1q0r h GLN 156 N 0.47 0.77 -0.39 2.91 5.75 -1.95 -1.38 115.11 121.28 1q0r h GLN 156 Ca -0.33 -0.05 0.06 0.00 -0.15 0.00 0.00 58.65 58.18 1q0r h GLN 156 Cb 1.30 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 29.66 1q0r h GLN 156 CO 0.50 0.51 0.27 -1.35 -2.65 0.00 0.00 178.83 176.11 1q0r h PRO 157 N 0.79 0.27 -0.20 -2.39 0.11 -1.91 0.77 132.00 129.45 1q0r h PRO 157 Ca 0.37 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.46 1q0r h PRO 157 Cb 0.30 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 1q0r h PRO 157 CO -0.23 0.18 0.08 0.35 -0.21 0.00 0.00 178.00 178.18 1q0r h PHE 158 N 0.28 0.29 -0.78 0.65 3.57 -1.47 -1.22 116.94 118.25 1q0r h PHE 158 Ca 0.17 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 1q0r h PHE 158 Cb 0.33 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 1q0r h PHE 158 CO -0.00 0.32 0.34 -0.07 -2.23 0.00 0.00 178.31 176.68 1q0r h LEU 159 N 0.17 1.04 -0.80 0.59 3.38 -1.13 -1.92 115.31 116.64 1q0r h LEU 159 Ca 0.07 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1q0r h LEU 159 Cb 0.15 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 1q0r h LEU 159 CO -0.01 0.90 0.39 0.44 0.09 0.00 0.00 178.44 180.25 1q0r h ASP 160 N 1.12 1.04 -0.22 -0.43 3.32 -0.78 -1.70 116.42 118.77 1q0r h ASP 160 Ca 0.27 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 1q0r h ASP 160 Cb 0.16 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1q0r h ASP 160 CO -0.03 0.88 -0.17 0.00 -1.72 0.00 0.00 179.24 178.20 1q0r h ALA 161 N 1.20 1.04 -0.37 3.45 0.00 -0.80 -1.65 119.26 122.12 1q0r h ALA 161 Ca 0.27 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1q0r h ALA 161 Cb 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1q0r h ALA 161 CO -0.04 0.58 -0.17 -0.07 0.00 0.00 0.00 179.25 179.56 1q0r h LEU 162 N 0.58 0.69 -0.60 0.00 3.38 -1.03 -1.66 115.31 116.67 1q0r h LEU 162 Ca 0.09 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 1q0r h LEU 162 Cb 0.63 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1q0r h LEU 162 CO 0.04 0.87 -0.23 0.00 0.09 0.00 0.00 178.44 179.21 1q0r h ALA 163 N 1.19 0.79 -0.50 1.53 0.00 -0.88 -2.70 119.26 118.70 1q0r h ALA 163 Ca 0.10 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 1q0r h ALA 163 Cb 0.63 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1q0r h ALA 163 CO 0.04 0.65 -0.15 -0.07 0.00 0.00 0.00 179.25 179.73 1q0r h LEU 164 N 0.74 0.97 -2.32 0.00 3.38 -1.21 -2.80 115.31 114.08 1q0r h LEU 164 Ca 0.10 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1q0r h LEU 164 Cb 0.77 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1q0r h LEU 164 CO 0.06 1.11 -0.04 0.24 0.09 0.00 0.00 178.44 179.90 1q0r h MET 165 N 0.85 0.00 0.00 1.13 2.86 -1.09 -2.01 114.93 116.67 1q0r h MET 165 Ca 0.13 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.61 1q0r h MET 165 Cb 0.70 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 1q0r h MET 165 CO 0.05 0.04 -0.76 -0.91 1.06 0.00 0.00 176.91 176.39 1q0r h ASN 166 N 0.00 0.00 -3.90 1.22 2.35 -1.21 -3.46 115.58 110.58 1q0r h ASN 166 Ca -0.00 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.24 1q0r h ASN 166 Cb 0.18 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.59 1q0r h ASN 166 CO 0.01 0.76 0.50 -1.10 -1.65 0.00 0.00 177.43 175.95 1q0r s GLN 167 N -2.89 4.26 0.35 0.81 -0.21 -0.76 -5.00 119.66 116.23 1q0r s GLN 167 Ca 0.02 1.83 -0.25 0.00 0.02 0.00 0.00 55.36 56.98 1q0r s GLN 167 Cb 0.09 -2.84 -0.10 0.00 1.00 0.00 0.00 33.01 31.17 1q0r s GLN 167 CO 0.78 -0.14 0.99 -1.25 -2.12 0.00 0.00 175.29 173.55 1q0r s PRO 168 N -2.04 4.42 -0.09 2.91 0.04 -1.26 -5.03 135.00 133.94 1q0r s PRO 168 Ca 0.53 1.40 -0.00 0.00 0.04 0.00 0.00 61.00 62.96 1q0r s PRO 168 Cb -0.31 -2.68 0.02 0.00 0.04 0.00 0.00 34.50 31.57 1q0r s PRO 168 CO 0.39 0.11 -0.05 0.00 0.04 0.00 0.00 177.00 177.49 1q0r s ALA 169 N -1.65 1.04 -0.32 8.56 0.00 -1.26 -5.07 121.76 123.05 1q0r s ALA 169 Ca 0.53 -0.34 -0.11 0.00 0.00 0.00 0.00 51.96 52.05 1q0r s ALA 169 Cb -0.20 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 1q0r s ALA 169 CO 0.25 -0.33 0.18 -1.21 0.00 0.00 0.00 175.76 174.65 1q0r s GLU 170 N 1.59 3.36 0.00 0.00 2.02 -1.26 -4.75 118.70 119.66 1q0r s GLU 170 Ca 0.01 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 54.29 1q0r s GLU 170 Cb -0.13 -3.64 0.00 0.00 0.10 0.00 0.00 34.13 30.46 1q0r s GLU 170 CO -0.05 -0.44 0.00 0.41 0.02 0.00 0.00 175.26 175.20 1q0r n GLY 171 N 5.02 0.70 0.19 -1.39 0.00 -1.26 -4.41 105.19 104.04 1q0r n GLY 171 Ca -0.13 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 43.95 1q0r n GLY 171 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1q0r h ARG 172 N 0.00 0.60 -0.61 1.61 2.43 -1.97 -1.32 114.38 115.12 1q0r h ARG 172 Ca 0.00 -0.20 0.01 0.00 -0.81 0.00 0.00 59.98 58.98 1q0r h ARG 172 Cb 0.00 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 1q0r h ARG 172 CO 0.00 0.74 0.40 0.00 -1.51 0.00 0.00 179.97 179.60 1q0r h ALA 173 N 0.84 0.77 -0.32 2.80 0.00 -2.00 -0.68 119.26 120.67 1q0r h ALA 173 Ca 0.09 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1q0r h ALA 173 Cb 0.48 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1q0r h ALA 173 CO 0.02 0.21 -0.27 0.00 0.00 0.00 0.00 179.25 179.21 1q0r h ALA 174 N 1.22 0.92 -0.25 0.00 0.00 -1.73 -1.63 119.26 117.79 1q0r h ALA 174 Ca 0.22 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1q0r h ALA 174 Cb -0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1q0r h ALA 174 CO -0.05 0.62 -0.03 1.49 0.00 0.00 0.00 179.25 181.28 1q0r h GLU 175 N 0.57 0.47 -0.22 0.00 4.57 -0.82 -0.99 114.58 118.15 1q0r h GLU 175 Ca 0.07 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1q0r h GLU 175 Cb 0.76 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.30 1q0r h GLU 175 CO 0.06 0.67 0.15 0.28 -1.18 0.00 0.00 179.01 178.99 1q0r h VAL 176 N 0.23 1.06 -0.92 0.32 2.07 -1.05 -0.95 116.25 117.02 1q0r h VAL 176 Ca 0.07 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1q0r h VAL 176 Cb 0.48 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 1q0r h VAL 176 CO 0.02 0.06 0.61 0.00 0.02 0.00 0.00 177.57 178.28 1q0r h ALA 177 N 1.08 1.17 -0.21 1.67 0.00 -1.22 -0.52 119.26 121.23 1q0r h ALA 177 Ca 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1q0r h ALA 177 Cb -0.03 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1q0r h ALA 177 CO -0.02 0.55 0.10 -0.22 0.00 0.00 0.00 179.25 179.66 1q0r h LYS 178 N 1.23 0.30 -0.52 0.00 3.64 -0.88 -0.65 116.57 119.70 1q0r h LYS 178 Ca 0.34 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.65 1q0r h LYS 178 Cb -0.12 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 1q0r h LYS 178 CO -0.08 0.33 0.22 0.00 -2.27 0.00 0.00 179.45 177.65 1q0r h ARG 179 N 0.20 0.78 -0.87 1.90 3.08 -0.76 -1.75 114.38 116.96 1q0r h ARG 179 Ca 0.07 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1q0r h ARG 179 Cb 0.13 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 1q0r h ARG 179 CO -0.01 0.67 0.51 0.28 -1.07 0.00 0.00 179.97 180.36 1q0r h VAL 180 N 0.70 1.24 -0.56 2.04 2.07 -0.95 -1.63 116.25 119.17 1q0r h VAL 180 Ca 0.18 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1q0r h VAL 180 Cb 0.18 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 29.96 1q0r h VAL 180 CO -0.02 0.26 0.24 0.77 0.02 0.00 0.00 177.57 178.84 1q0r h SER 181 N 1.19 0.72 -0.17 0.57 4.64 -0.64 -0.55 113.55 119.31 1q0r h SER 181 Ca 0.31 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.54 1q0r h SER 181 Cb -0.04 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 1q0r h SER 181 CO -0.06 0.64 0.07 0.50 -0.87 0.00 0.00 176.83 177.11 1q0r h LYS 182 N 0.79 0.26 -0.28 4.77 3.64 -0.61 -2.29 116.57 122.85 1q0r h LYS 182 Ca 0.19 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 1q0r h LYS 182 Cb 0.13 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1q0r h LYS 182 CO -0.02 0.35 -0.15 -1.49 -2.27 0.00 0.00 179.45 175.87 1q0r h TRP 183 N 0.12 0.52 -0.53 1.91 4.06 -0.81 -1.85 115.95 119.37 1q0r h TRP 183 Ca 0.06 -0.08 -0.05 0.00 2.06 0.00 0.00 58.89 60.88 1q0r h TRP 183 Cb 0.18 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 28.18 1q0r h TRP 183 CO -0.01 0.61 0.14 -0.09 -3.56 0.00 0.00 178.44 175.53 1q0r h ARG 184 N 0.44 0.84 -0.19 0.49 2.43 -0.99 0.17 114.38 117.56 1q0r h ARG 184 Ca 0.08 -0.19 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1q0r h ARG 184 Cb 0.52 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1q0r h ARG 184 CO 0.03 0.79 0.12 0.82 -1.51 0.00 0.00 179.97 180.22 1q0r h ILE 185 N 0.74 1.08 -0.12 1.20 2.04 -1.11 -2.51 117.51 118.84 1q0r h ILE 185 Ca 0.17 -0.19 -0.14 0.00 1.00 0.00 0.00 64.86 65.69 1q0r h ILE 185 Cb 0.31 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1q0r h ILE 185 CO -0.00 0.08 -0.54 -0.07 0.00 0.00 0.00 178.15 177.61 1q0r h LEU 186 N 0.23 0.38 -0.71 1.44 3.38 -1.11 -3.12 115.31 115.81 1q0r h LEU 186 Ca 0.07 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.71 1q0r h LEU 186 Cb 0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1q0r h LEU 186 CO -0.01 0.85 -0.44 -1.28 0.09 0.00 0.00 178.44 177.65 1q0r h SER 187 N 0.27 0.50 -0.60 -0.43 0.87 -0.63 -0.52 113.55 113.00 1q0r h SER 187 Ca 0.00 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1q0r h SER 187 Cb 1.04 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 1q0r h SER 187 CO 0.09 0.87 0.00 0.61 -0.53 0.00 0.00 176.83 177.87 1q0r n GLY 188 N -0.00 -1.15 0.19 5.77 0.00 -0.95 -2.83 105.19 106.22 1q0r n GLY 188 Ca -0.02 -1.23 0.02 0.00 0.00 0.00 0.00 46.02 44.79 1q0r n GLY 188 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1q0r n THR 189 N -0.07 0.58 0.23 2.61 -2.24 -1.26 -4.70 114.28 109.43 1q0r n THR 189 Ca 0.00 -0.79 0.12 0.00 -2.27 0.00 0.00 64.05 61.11 1q0r n THR 189 Cb 0.00 0.74 0.43 0.00 -2.10 0.00 0.00 70.33 69.40 1q0r n THR 189 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1q0r h GLY 190 N 0.71 0.00 -3.56 3.38 0.00 -1.79 -3.43 103.07 98.37 1q0r h GLY 190 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 1q0r h GLY 190 CO 0.00 0.00 -0.74 -1.34 0.00 0.00 0.00 176.54 174.46 1q0r s VAL 191 N -3.50 1.18 0.20 4.60 -7.23 -1.16 -4.51 120.40 109.97 1q0r s VAL 191 Ca 0.02 -1.72 -0.33 0.00 -1.81 0.00 0.00 61.98 58.15 1q0r s VAL 191 Cb 0.09 -1.50 -0.13 0.00 0.56 0.00 0.00 36.38 35.40 1q0r s VAL 191 CO 0.62 -0.50 1.65 -2.65 -0.31 0.00 0.00 175.10 173.92 1q0r n PRO 192 N 0.47 2.52 -4.52 4.82 -0.02 -1.26 -4.96 135.00 132.05 1q0r n PRO 192 Ca -0.15 0.91 -0.33 0.00 -2.02 0.00 0.00 63.50 61.90 1q0r n PRO 192 Cb 0.58 -2.71 -0.15 0.00 -0.02 0.00 0.00 33.50 31.20 1q0r n PRO 192 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1q0r s PHE 193 N 0.94 2.83 -0.25 6.00 2.19 -1.26 -4.47 117.98 123.95 1q0r s PHE 193 Ca 0.75 -0.86 -0.05 0.00 0.33 0.00 0.00 56.93 57.11 1q0r s PHE 193 Cb -0.57 -1.91 -0.00 0.00 -1.31 0.00 0.00 43.02 39.23 1q0r s PHE 193 CO 0.36 -0.37 0.01 0.34 1.83 0.00 0.00 175.22 177.39 1q0r s ASP 194 N 0.73 4.67 0.23 6.13 -1.08 -1.26 -5.00 116.67 121.09 1q0r s ASP 194 Ca -0.06 -0.53 -0.02 0.00 -0.52 0.00 0.00 52.55 51.43 1q0r s ASP 194 Cb -0.15 -1.80 0.23 0.00 -1.46 0.00 0.00 42.92 39.74 1q0r s ASP 194 CO 0.02 -0.09 1.63 0.44 0.52 0.00 0.00 175.17 177.68 1q0r h ASP 195 N 8.15 0.67 -0.65 -0.34 3.32 -1.99 -2.80 116.42 122.79 1q0r h ASP 195 Ca -0.37 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 56.38 1q0r h ASP 195 Cb 1.14 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.48 1q0r h ASP 195 CO 0.60 0.93 0.24 0.00 -1.72 0.00 0.00 179.24 179.29 1q0r h ALA 196 N 1.11 0.84 -0.44 3.45 0.00 -1.99 0.13 119.26 122.37 1q0r h ALA 196 Ca 0.07 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1q0r h ALA 196 Cb 0.79 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1q0r h ALA 196 CO 0.07 0.47 -0.17 1.05 0.00 0.00 0.00 179.25 180.67 1q0r h GLU 197 N 0.92 0.89 -0.18 0.00 4.11 -1.97 -1.69 114.58 116.66 1q0r h GLU 197 Ca 0.21 -0.37 -0.11 0.00 0.07 0.00 0.00 59.36 59.16 1q0r h GLU 197 Cb 0.23 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1q0r h GLU 197 CO -0.01 1.02 -0.38 1.88 0.07 0.00 0.00 179.01 181.59 1q0r h TYR 198 N 0.72 0.45 -0.38 2.06 -1.99 -1.29 -1.19 116.97 115.35 1q0r h TYR 198 Ca 0.10 -0.12 -0.00 0.00 2.00 0.00 0.00 58.73 60.71 1q0r h TYR 198 Cb 0.73 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 39.34 1q0r h TYR 198 CO 0.05 0.72 0.23 0.00 -0.00 0.00 0.00 178.16 179.16 1q0r h ALA 199 N 1.27 0.48 -0.74 3.88 0.00 -0.80 -1.09 119.26 122.26 1q0r h ALA 199 Ca 0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1q0r h ALA 199 Cb 0.82 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1q0r h ALA 199 CO 0.07 -0.03 0.40 -0.09 0.00 0.00 0.00 179.25 179.59 1q0r h ARG 200 N 0.49 1.03 -0.70 0.00 9.65 -0.97 0.26 114.38 124.15 1q0r h ARG 200 Ca 0.14 -0.13 -0.03 0.00 -1.10 0.00 0.00 59.98 58.86 1q0r h ARG 200 Cb -0.00 -0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 28.34 1q0r h ARG 200 CO -0.03 0.77 0.31 -1.49 2.80 0.00 0.00 179.97 182.33 1q0r h TRP 201 N 1.02 1.02 -0.06 2.20 6.55 -0.91 -1.28 115.95 124.49 1q0r h TRP 201 Ca 0.26 -0.05 -0.18 0.00 0.95 0.00 0.00 58.89 59.86 1q0r h TRP 201 Cb 0.05 -0.31 -0.01 0.00 -0.86 0.00 0.00 29.16 28.03 1q0r h TRP 201 CO 0.00 0.76 -0.75 0.93 -1.05 0.00 0.00 178.44 178.33 1q0r h GLU 202 N 1.00 0.34 -0.61 0.49 4.39 -0.87 -1.71 114.58 117.62 1q0r h GLU 202 Ca 0.24 -0.29 0.02 0.00 0.34 0.00 0.00 59.36 59.66 1q0r h GLU 202 Cb 0.15 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 1q0r h GLU 202 CO -0.03 0.95 0.39 0.93 -1.16 0.00 0.00 179.01 180.09 1q0r h GLU 203 N 0.23 0.77 -0.76 2.33 5.08 -0.54 -0.16 114.58 121.52 1q0r h GLU 203 Ca -0.03 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 1q0r h GLU 203 Cb 1.33 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 1q0r h GLU 203 CO 0.12 0.51 0.26 0.00 -1.00 0.00 0.00 179.01 178.91 1q0r h ARG 204 N 0.79 1.16 -0.64 2.33 3.08 -1.13 -0.75 114.38 119.23 1q0r h ARG 204 Ca 0.24 -0.23 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1q0r h ARG 204 Cb -0.04 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.80 1q0r h ARG 204 CO -0.07 0.97 0.17 0.00 -1.07 0.00 0.00 179.97 179.97 1q0r h ALA 205 N 1.16 1.09 -0.17 0.04 0.00 -0.85 -0.16 119.26 120.38 1q0r h ALA 205 Ca 0.25 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1q0r h ALA 205 Cb 0.27 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1q0r h ALA 205 CO -0.01 0.61 -0.30 0.82 0.00 0.00 0.00 179.25 180.37 1q0r h ILE 206 N 0.96 1.35 -0.72 0.00 2.04 -0.80 -2.38 117.51 117.95 1q0r h ILE 206 Ca 0.21 -1.54 0.07 0.00 1.00 0.00 0.00 64.86 64.60 1q0r h ILE 206 Cb 0.32 1.93 -0.06 0.00 -0.74 0.00 0.00 36.82 38.27 1q0r h ILE 206 CO -0.00 0.46 0.41 0.44 0.00 0.00 0.00 178.15 179.46 1q0r h ASP 207 N 0.13 0.60 -0.20 1.72 3.32 -1.04 0.94 116.42 121.90 1q0r h ASP 207 Ca 0.01 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1q0r h ASP 207 Cb 0.89 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 1q0r h ASP 207 CO 0.07 0.38 0.08 -0.74 -1.72 0.00 0.00 179.24 177.31 1q0r h HIS 208 N 0.73 0.35 -0.23 4.55 2.76 -0.91 -1.26 115.15 121.13 1q0r h HIS 208 Ca 0.33 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.43 1q0r h HIS 208 Cb 0.23 -0.11 -0.04 0.00 1.55 0.00 0.00 27.41 29.04 1q0r h HIS 208 CO -0.07 0.30 0.08 0.00 -1.30 0.00 0.00 177.93 176.93 1q0r n ALA 209 N -2.49 3.15 -1.77 5.26 0.00 -0.65 -4.50 120.51 119.51 1q0r n ALA 209 Ca 0.01 -0.73 -0.12 0.00 0.00 0.00 0.00 53.44 52.60 1q0r n ALA 209 Cb 0.14 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.48 1q0r n ALA 209 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q0r n GLY 210 N 0.12 0.59 2.80 0.00 0.00 -0.48 -2.93 105.19 105.29 1q0r n GLY 210 Ca 0.13 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1q0r n GLY 210 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q0r n GLY 211 N -1.29 1.03 3.74 -0.02 0.00 0.23 -4.99 105.19 103.89 1q0r n GLY 211 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 1q0r n GLY 211 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q0r s VAL 212 N -3.83 2.77 -0.14 1.61 1.01 -1.15 -4.91 120.40 115.76 1q0r s VAL 212 Ca 0.00 0.65 0.20 0.00 0.00 0.00 0.00 61.98 62.83 1q0r s VAL 212 Cb 0.00 -3.41 -0.16 0.00 0.00 0.00 0.00 36.38 32.80 1q0r s VAL 212 CO 0.00 0.10 0.70 0.18 0.00 0.00 0.00 175.10 176.09 1q0r n LEU 213 N 2.31 0.54 -4.74 3.92 4.77 -1.26 -4.81 117.00 117.73 1q0r n LEU 213 Ca 0.06 0.23 -0.41 0.00 -0.03 0.00 0.00 56.01 55.86 1q0r n LEU 213 Cb 0.41 0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 1q0r n LEU 213 CO 0.60 0.07 0.92 0.00 -1.33 0.00 0.00 177.39 177.64 1q0r s ALA 214 N -3.13 3.47 0.57 -1.18 0.00 -1.26 -5.01 121.76 115.21 1q0r s ALA 214 Ca -0.04 1.02 -0.18 0.00 0.00 0.00 0.00 51.96 52.76 1q0r s ALA 214 Cb 0.10 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 1q0r s ALA 214 CO 0.83 -0.43 1.10 -1.21 0.00 0.00 0.00 175.76 176.05 1q0r s GLU 215 N -0.38 3.30 0.63 0.00 2.02 -1.26 -5.01 118.70 118.00 1q0r s GLU 215 Ca 0.53 1.46 -0.18 0.00 0.02 0.00 0.00 54.97 56.80 1q0r s GLU 215 Cb -0.34 -2.01 -0.02 0.00 0.10 0.00 0.00 34.13 31.85 1q0r s GLU 215 CO 0.38 -0.87 1.15 -2.30 0.02 0.00 0.00 175.26 173.65 1q0r n PRO 216 N -1.60 1.00 0.00 0.39 -0.02 -1.26 -4.96 135.00 128.55 1q0r n PRO 216 Ca 0.11 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1q0r n PRO 216 Cb 0.52 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 1q0r n PRO 216 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 1q0r n TYR 217 N -1.88 0.00 -0.16 6.00 0.18 -1.26 -4.84 117.16 115.20 1q0r n TYR 217 Ca 0.15 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.94 1q0r n TYR 217 Cb 0.48 0.00 0.26 0.00 -0.38 0.00 0.00 39.34 39.70 1q0r n TYR 217 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1q0r h ALA 218 N 0.00 1.45 0.00 -3.48 0.00 -1.93 -2.80 119.26 112.50 1q0r h ALA 218 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1q0r h ALA 218 Cb 0.45 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1q0r h ALA 218 CO 0.00 0.47 0.00 0.72 0.00 0.00 0.00 179.25 180.44 1q0r n HIS 219 N -4.40 0.53 0.30 0.00 8.25 -1.26 -1.33 115.22 117.31 1q0r n HIS 219 Ca 0.06 0.21 0.17 0.00 -0.26 0.00 0.00 57.72 57.90 1q0r n HIS 219 Cb 0.08 -0.84 0.78 0.00 1.12 0.00 0.00 29.99 31.13 1q0r n HIS 219 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 1q0r h TYR 220 N 0.00 0.00 -0.01 4.41 0.05 -1.88 -2.74 116.97 116.80 1q0r h TYR 220 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1q0r h TYR 220 Cb 0.31 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.05 1q0r h TYR 220 CO 0.00 0.00 -0.17 0.43 -1.05 0.00 0.00 178.16 177.37 1q0r n SER 221 N -2.76 1.28 -4.77 3.88 7.64 -0.44 -4.95 113.62 113.50 1q0r n SER 221 Ca -0.00 -1.15 -0.34 0.00 1.01 0.00 0.00 58.87 58.38 1q0r n SER 221 Cb 0.17 0.10 0.02 0.00 -1.01 0.00 0.00 64.21 63.49 1q0r n SER 221 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1q0r s LEU 222 N -2.32 3.62 -0.10 -3.43 1.43 -1.04 -5.03 118.68 111.82 1q0r s LEU 222 Ca 0.29 2.11 -0.00 0.00 -1.03 0.00 0.00 54.13 55.49 1q0r s LEU 222 Cb 0.20 -4.57 -0.03 0.00 0.03 0.00 0.00 46.19 41.82 1q0r s LEU 222 CO 0.45 -1.36 -0.08 -0.89 0.23 0.00 0.00 176.35 174.71 1q0r s THR 223 N -1.98 3.59 0.60 5.49 2.01 -1.26 -5.12 115.64 118.97 1q0r s THR 223 Ca 0.71 -0.50 -0.16 0.00 0.31 0.00 0.00 61.69 62.04 1q0r s THR 223 Cb -0.23 -2.49 -0.03 0.00 0.01 0.00 0.00 72.50 69.76 1q0r s THR 223 CO 0.32 0.56 1.08 -0.76 -0.69 0.00 0.00 174.62 175.13 1q0r s LEU 224 N -0.36 3.51 0.65 4.42 1.43 -1.26 -4.48 118.68 122.58 1q0r s LEU 224 Ca 0.05 1.92 -0.17 0.00 -1.03 0.00 0.00 54.13 54.89 1q0r s LEU 224 Cb -0.12 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.53 1q0r s LEU 224 CO 0.02 -1.30 1.03 -2.65 0.23 0.00 0.00 176.35 173.68 1q0r n PRO 225 N -2.02 0.82 -1.89 1.29 -0.02 -1.26 -4.95 135.00 126.97 1q0r n PRO 225 Ca 0.10 0.33 -0.35 0.00 -2.02 0.00 0.00 63.50 61.56 1q0r n PRO 225 Cb 0.52 -2.26 0.04 0.00 -0.02 0.00 0.00 33.50 31.79 1q0r n PRO 225 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1q0r s PRO 226 N -3.05 2.85 0.50 0.52 0.04 -1.26 -4.91 135.00 129.69 1q0r s PRO 226 Ca 0.77 1.68 0.34 0.00 0.04 0.00 0.00 61.00 63.83 1q0r s PRO 226 Cb -0.39 -1.93 1.68 0.00 0.04 0.00 0.00 34.50 33.90 1q0r s PRO 226 CO 0.46 -1.27 2.02 -1.00 0.04 0.00 0.00 177.00 177.25 1q0r h PRO 227 N 0.54 0.00 -0.65 0.56 0.13 -1.93 -2.64 132.00 128.01 1q0r h PRO 227 Ca -0.49 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.83 1q0r h PRO 227 Cb 1.28 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.38 1q0r h PRO 227 CO 0.54 0.00 0.49 0.66 -0.23 0.00 0.00 178.00 179.46 1q0r h SER 228 N 0.00 0.00 0.79 1.44 4.64 -1.91 -2.22 113.55 116.30 1q0r h SER 228 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1q0r h SER 228 Cb 0.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1q0r h SER 228 CO 0.00 0.00 -0.12 0.03 -0.87 0.00 0.00 176.83 175.87 1q0r h ARG 229 N 0.00 0.00 -0.91 4.77 3.08 -1.81 -3.09 114.38 116.42 1q0r h ARG 229 Ca 0.31 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.44 1q0r h ARG 229 Cb 1.28 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.27 1q0r h ARG 229 CO -0.00 0.12 0.59 0.00 -1.07 0.00 0.00 179.97 179.60 1q0r h ALA 230 N 1.88 1.56 -0.05 0.04 0.00 -1.63 -2.06 119.26 119.01 1q0r h ALA 230 Ca -0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1q0r h ALA 230 Cb 0.54 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1q0r h ALA 230 CO 0.02 0.27 -0.15 0.00 0.00 0.00 0.00 179.25 179.39 1q0r h ALA 231 N 1.53 1.66 0.00 0.00 0.00 -1.74 -2.25 119.26 118.45 1q0r h ALA 231 Ca 0.41 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1q0r h ALA 231 Cb 0.31 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1q0r h ALA 231 CO -0.17 0.25 -0.05 0.93 0.00 0.00 0.00 179.25 180.21 1q0r h GLU 232 N 0.08 0.00 0.00 0.00 5.08 -1.54 -2.96 114.58 115.25 1q0r h GLU 232 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1q0r h GLU 232 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1q0r h GLU 232 CO 0.02 0.05 0.00 1.28 -1.00 0.00 0.00 179.01 179.36 1q0r n LEU 233 N -3.29 0.63 0.32 1.33 4.77 -0.85 -1.99 117.00 117.92 1q0r n LEU 233 Ca -0.01 0.70 0.21 0.00 -0.03 0.00 0.00 56.01 56.87 1q0r n LEU 233 Cb 0.23 -0.66 1.04 0.00 -2.33 0.00 0.00 43.42 41.70 1q0r n LEU 233 CO 0.27 -0.69 1.12 0.03 -1.33 0.00 0.00 177.39 176.78 1q0r h ARG 234 N 0.00 0.00 -0.00 3.23 3.08 -1.46 -2.19 114.38 117.04 1q0r h ARG 234 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1q0r h ARG 234 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1q0r h ARG 234 CO 0.00 0.01 -0.25 0.39 -1.07 0.00 0.00 179.97 179.05 1q0r n GLU 235 N -3.13 0.55 -2.19 0.04 -0.58 -0.84 -4.62 120.64 109.86 1q0r n GLU 235 Ca -0.02 -0.27 -0.41 0.00 -0.42 0.00 0.00 57.16 56.04 1q0r n GLU 235 Cb 0.15 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.49 1q0r n GLU 235 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1q0r s VAL 236 N -2.64 3.07 0.00 2.62 1.01 -0.82 -4.94 120.40 118.70 1q0r s VAL 236 Ca 0.22 0.93 0.00 0.00 0.00 0.00 0.00 61.98 63.13 1q0r s VAL 236 Cb 0.19 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1q0r s VAL 236 CO 0.55 0.16 0.00 0.35 0.00 0.00 0.00 175.10 176.16 1q0r n THR 237 N 2.12 0.00 -2.39 3.92 -2.24 -1.26 -4.44 114.28 109.99 1q0r n THR 237 Ca 0.04 -0.36 -0.36 0.00 -2.27 0.00 0.00 64.05 61.10 1q0r n THR 237 Cb 0.42 1.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.63 1q0r n THR 237 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1q0r s VAL 238 N -0.72 3.42 0.14 2.28 -7.23 -1.26 -4.92 120.40 112.11 1q0r s VAL 238 Ca 0.00 1.00 -0.35 0.00 -1.81 0.00 0.00 61.98 60.83 1q0r s VAL 238 Cb 0.00 -3.48 -0.15 0.00 0.56 0.00 0.00 36.38 33.31 1q0r s VAL 238 CO 0.00 -0.08 1.47 -2.65 -0.31 0.00 0.00 175.10 173.53 1q0r n PRO 239 N -0.60 1.76 -4.81 4.82 -0.02 -1.26 -4.75 135.00 130.14 1q0r n PRO 239 Ca 0.08 0.63 -0.26 0.00 -2.02 0.00 0.00 63.50 61.93 1q0r n PRO 239 Cb 0.50 -2.34 -0.16 0.00 -0.02 0.00 0.00 33.50 31.48 1q0r n PRO 239 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1q0r s THR 240 N 0.64 1.42 -0.13 3.45 2.01 -0.94 -0.96 115.64 121.13 1q0r s THR 240 Ca 0.80 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 62.13 1q0r s THR 240 Cb -0.78 -1.23 0.00 0.00 0.01 0.00 0.00 72.50 70.50 1q0r s THR 240 CO 0.42 0.41 -0.21 -0.22 -0.69 0.00 0.00 174.62 174.33 1q0r s LEU 241 N 0.20 2.18 -0.17 4.42 2.96 0.31 -0.93 118.68 127.65 1q0r s LEU 241 Ca -0.08 -0.56 -0.02 0.00 -0.22 0.00 0.00 54.13 53.25 1q0r s LEU 241 Cb -0.13 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.09 1q0r s LEU 241 CO 0.03 0.11 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.41 1q0r s VAL 242 N 0.63 3.38 -0.21 1.68 1.01 0.00 -0.82 120.40 126.07 1q0r s VAL 242 Ca -0.11 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 1q0r s VAL 242 Cb -0.16 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 1q0r s VAL 242 CO 0.02 0.48 -0.02 -0.63 0.00 0.00 0.00 175.10 174.95 1q0r s ILE 243 N 0.80 3.64 -0.27 2.22 1.01 0.31 -0.93 121.20 127.99 1q0r s ILE 243 Ca -0.03 -0.41 -0.13 0.00 0.00 0.00 0.00 60.65 60.08 1q0r s ILE 243 Cb -0.15 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 1q0r s ILE 243 CO 0.01 0.42 0.30 -1.58 0.00 0.00 0.00 174.94 174.10 1q0r s GLN 244 N 1.32 4.01 -0.01 2.79 2.00 -0.02 -3.55 119.66 126.20 1q0r s GLN 244 Ca 0.04 -0.08 -0.30 0.00 -2.00 0.00 0.00 55.36 53.02 1q0r s GLN 244 Cb -0.14 -3.64 -0.05 0.00 0.80 0.00 0.00 33.01 29.97 1q0r s GLN 244 CO -0.01 -0.21 1.34 0.00 -0.50 0.00 0.00 175.29 175.91 1q0r s ALA 245 N 1.87 3.55 0.25 1.58 0.00 -1.26 -1.44 121.76 126.31 1q0r s ALA 245 Ca 0.12 0.81 -0.03 0.00 0.00 0.00 0.00 51.96 52.86 1q0r s ALA 245 Cb -0.16 -3.57 0.42 0.00 0.00 0.00 0.00 23.12 19.82 1q0r s ALA 245 CO 0.10 -0.84 1.82 1.49 0.00 0.00 0.00 175.76 178.32 1q0r h GLU 246 N 7.65 0.83 -0.85 0.00 4.81 -1.28 -2.71 114.58 123.04 1q0r h GLU 246 Ca -0.37 -0.05 -0.59 0.00 -0.13 0.00 0.00 59.36 58.21 1q0r h GLU 246 Cb 1.18 -0.19 -0.38 0.00 0.63 0.00 0.00 28.75 29.99 1q0r h GLU 246 CO 0.89 0.55 -0.24 0.72 -0.73 0.00 0.00 179.01 180.20 1q0r n HIS 247 N -4.70 2.92 -1.96 0.92 8.25 0.33 -4.67 115.22 116.30 1q0r n HIS 247 Ca 0.15 -2.50 -0.43 0.00 -0.26 0.00 0.00 57.72 54.68 1q0r n HIS 247 Cb 0.28 -0.72 -0.03 0.00 1.12 0.00 0.00 29.99 30.65 1q0r n HIS 247 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1q0r s ASP 248 N -3.00 6.17 0.04 0.41 -1.08 -1.02 -4.47 116.67 113.72 1q0r s ASP 248 Ca 0.56 1.75 0.27 0.00 -0.52 0.00 0.00 52.55 54.60 1q0r s ASP 248 Cb 0.44 -2.53 1.08 0.00 -1.46 0.00 0.00 42.92 40.46 1q0r s ASP 248 CO 0.02 -1.41 1.84 -0.81 0.52 0.00 0.00 175.17 175.33 1q0r n PRO 249 N 7.94 0.05 -0.13 4.34 -0.04 -1.26 -2.94 135.00 142.95 1q0r n PRO 249 Ca 0.21 0.08 -0.23 0.00 -0.04 0.00 0.00 63.50 63.53 1q0r n PRO 249 Cb 0.45 -1.56 -0.11 0.00 -0.04 0.00 0.00 33.50 32.23 1q0r n PRO 249 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1q0r n ILE 250 N -1.65 1.51 -3.49 0.52 5.41 -1.26 -0.33 119.36 120.07 1q0r n ILE 250 Ca 0.06 -0.50 -0.27 0.00 1.00 0.00 0.00 62.75 63.05 1q0r n ILE 250 Cb 0.33 -1.61 -0.09 0.00 -0.71 0.00 0.00 39.64 37.56 1q0r n ILE 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1q0r n ALA 251 N -3.63 3.42 -1.31 -1.39 0.00 -1.26 -3.80 120.51 112.54 1q0r n ALA 251 Ca -0.49 -4.22 -0.33 0.00 0.00 0.00 0.00 53.44 48.40 1q0r n ALA 251 Cb 0.95 -0.89 0.09 0.00 0.00 0.00 0.00 19.45 19.59 1q0r n ALA 251 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1q0r s PRO 252 N -1.65 2.22 0.36 0.00 0.02 -1.15 -4.62 135.00 130.18 1q0r s PRO 252 Ca 0.34 1.53 -0.27 0.00 0.02 0.00 0.00 61.00 62.62 1q0r s PRO 252 Cb 0.09 -1.87 -0.12 0.00 0.02 0.00 0.00 34.50 32.63 1q0r s PRO 252 CO -0.09 -1.72 1.24 0.00 -0.33 0.00 0.00 177.00 176.10 1q0r n ALA 253 N -2.93 1.09 -1.21 -1.55 0.00 -1.26 -1.05 120.51 113.60 1q0r n ALA 253 Ca 0.12 0.34 -0.30 0.00 0.00 0.00 0.00 53.44 53.59 1q0r n ALA 253 Cb 0.51 -2.22 0.07 0.00 0.00 0.00 0.00 19.45 17.81 1q0r n ALA 253 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1q0r n PRO 254 N 0.45 2.45 -0.11 0.00 -0.04 -1.26 -4.78 135.00 131.71 1q0r n PRO 254 Ca 0.06 -2.82 0.22 0.00 -0.04 0.00 0.00 63.50 60.92 1q0r n PRO 254 Cb 0.37 -2.10 0.66 0.00 -0.04 0.00 0.00 33.50 32.38 1q0r n PRO 254 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1q0r h HIS 255 N 1.85 0.12 0.00 0.54 3.86 -1.35 -0.55 115.15 119.62 1q0r h HIS 255 Ca 0.52 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.69 1q0r h HIS 255 Cb 0.85 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.29 1q0r h HIS 255 CO 1.27 0.04 -0.19 0.78 0.86 0.00 0.00 177.93 180.68 1q0r h GLY 256 N 0.10 0.14 0.93 2.45 0.00 -1.82 -0.70 103.07 104.17 1q0r h GLY 256 Ca 0.35 -0.25 0.02 0.00 0.00 0.00 0.00 47.33 47.45 1q0r h GLY 256 CO -0.04 0.22 0.54 1.70 0.00 0.00 0.00 176.54 178.97 1q0r h LYS 257 N -0.60 1.04 -0.40 4.80 3.64 -1.84 -0.77 116.57 122.44 1q0r h LYS 257 Ca -0.03 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.24 1q0r h LYS 257 Cb 0.98 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 1q0r h LYS 257 CO 0.04 0.69 0.06 1.25 -2.27 0.00 0.00 179.45 179.22 1q0r h HIS 258 N 1.08 0.71 -0.50 1.91 2.76 -0.95 -1.27 115.15 118.90 1q0r h HIS 258 Ca 0.32 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 1q0r h HIS 258 Cb -0.05 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 28.69 1q0r h HIS 258 CO -0.02 0.70 0.32 1.25 -1.30 0.00 0.00 177.93 178.89 1q0r h LEU 259 N 0.52 0.58 -1.15 0.26 5.85 -0.79 -2.03 115.31 118.55 1q0r h LEU 259 Ca 0.12 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.87 1q0r h LEU 259 Cb 0.37 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1q0r h LEU 259 CO 0.01 0.43 0.58 0.00 -0.34 0.00 0.00 178.44 179.12 1q0r h ALA 260 N 1.17 1.48 0.00 1.25 0.00 -0.97 -1.97 119.26 120.22 1q0r h ALA 260 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1q0r h ALA 260 Cb -0.06 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.44 1q0r h ALA 260 CO -0.04 0.41 0.00 0.41 0.00 0.00 0.00 179.25 180.03 1q0r n GLY 261 N -1.40 -1.14 0.20 0.00 0.00 -0.49 -2.21 105.19 100.15 1q0r n GLY 261 Ca 0.13 0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.39 1q0r n GLY 261 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1q0r h LEU 262 N 0.00 0.00 -8.02 0.99 3.38 -1.16 -3.45 115.31 107.05 1q0r h LEU 262 Ca 0.00 -0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 1q0r h LEU 262 Cb 0.24 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 40.64 1q0r h LEU 262 CO 0.00 0.00 -0.85 -0.63 0.09 0.00 0.00 178.44 177.05 1q0r s ILE 263 N -3.22 1.92 0.53 1.22 1.01 -0.94 -3.11 121.20 118.61 1q0r s ILE 263 Ca 0.06 -0.86 0.22 0.00 0.00 0.00 0.00 60.65 60.08 1q0r s ILE 263 Cb 0.06 -1.75 0.29 0.00 0.01 0.00 0.00 42.46 41.08 1q0r s ILE 263 CO 0.68 0.52 2.17 -0.65 0.00 0.00 0.00 174.94 177.66 1q0r h PRO 264 N 7.93 0.00 -0.59 2.79 0.11 -1.78 -2.03 132.00 138.43 1q0r h PRO 264 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1q0r h PRO 264 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1q0r h PRO 264 CO 0.60 0.03 0.00 0.25 -0.21 0.00 0.00 178.00 178.68 1q0r n THR 265 N -4.17 1.16 -3.23 -1.15 -2.24 -1.26 -4.97 114.28 98.43 1q0r n THR 265 Ca -0.03 -0.82 -0.39 0.00 -2.27 0.00 0.00 64.05 60.54 1q0r n THR 265 Cb 0.12 0.12 -0.06 0.00 -2.10 0.00 0.00 70.33 68.41 1q0r n THR 265 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1q0r s ALA 266 N -1.62 3.56 0.09 6.98 0.00 -0.77 -2.22 121.76 127.79 1q0r s ALA 266 Ca 0.37 0.08 0.10 0.00 0.00 0.00 0.00 51.96 52.51 1q0r s ALA 266 Cb 0.23 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.62 1q0r s ALA 266 CO 0.20 0.37 -0.25 1.03 0.00 0.00 0.00 175.76 177.11 1q0r s ARG 267 N -1.06 1.44 -0.13 0.00 0.52 -0.10 -4.96 118.95 114.66 1q0r s ARG 267 Ca 0.30 -1.21 -0.03 0.00 -0.52 0.00 0.00 55.73 54.28 1q0r s ARG 267 Cb -0.20 -1.77 -0.03 0.00 0.52 0.00 0.00 34.95 33.47 1q0r s ARG 267 CO 0.20 0.43 -0.02 -1.17 0.02 0.00 0.00 175.30 174.76 1q0r s LEU 268 N -1.72 3.41 0.18 2.53 2.96 -1.26 -0.82 118.68 123.96 1q0r s LEU 268 Ca 0.11 -0.01 0.09 0.00 -0.22 0.00 0.00 54.13 54.11 1q0r s LEU 268 Cb -0.10 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1q0r s LEU 268 CO 0.04 0.26 -0.19 0.00 -1.32 0.00 0.00 176.35 175.14 1q0r s ALA 269 N -0.16 2.13 -0.05 5.97 0.00 -0.10 -4.97 121.76 124.59 1q0r s ALA 269 Ca 0.04 -1.55 0.02 0.00 0.00 0.00 0.00 51.96 50.47 1q0r s ALA 269 Cb -0.13 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.80 1q0r s ALA 269 CO 0.02 0.25 -0.11 -2.00 0.00 0.00 0.00 175.76 173.93 1q0r s GLU 270 N -2.89 1.43 -0.40 0.00 2.12 -1.26 -0.84 118.70 116.85 1q0r s GLU 270 Ca 0.18 -0.35 -0.19 0.00 0.36 0.00 0.00 54.97 54.97 1q0r s GLU 270 Cb -0.06 -1.23 0.01 0.00 0.26 0.00 0.00 34.13 33.12 1q0r s GLU 270 CO 0.08 0.04 0.55 0.42 -0.54 0.00 0.00 175.26 175.80 1q0r s ILE 271 N 0.58 4.96 0.31 -3.70 -1.09 -0.52 -4.96 121.20 116.77 1q0r s ILE 271 Ca -0.11 0.10 -0.29 0.00 -2.23 0.00 0.00 60.65 58.11 1q0r s ILE 271 Cb -0.14 -4.07 -0.12 0.00 -1.58 0.00 0.00 42.46 36.54 1q0r s ILE 271 CO 0.02 -0.41 1.41 -2.65 -1.23 0.00 0.00 174.94 172.09 1q0r n PRO 272 N 5.91 2.29 0.00 2.79 -0.02 -1.26 -2.04 135.00 142.67 1q0r n PRO 272 Ca -0.04 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1q0r n PRO 272 Cb 0.48 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1q0r n PRO 272 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1q0r n GLY 273 N 1.42 2.87 3.77 -1.23 0.00 -1.26 -4.85 105.19 105.90 1q0r n GLY 273 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1q0r n GLY 273 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1q0r s MET 274 N 0.00 4.33 0.00 1.61 0.00 -1.16 -2.99 119.30 121.09 1q0r s MET 274 Ca 0.00 1.75 0.00 0.00 0.00 0.00 0.00 55.69 57.44 1q0r s MET 274 Cb 0.00 -2.86 0.00 0.00 0.00 0.00 0.00 34.83 31.97 1q0r s MET 274 CO 0.00 -0.05 0.00 0.41 0.00 0.00 0.00 175.02 175.38 1q0r n GLY 275 N 0.79 3.27 2.74 2.11 0.00 -1.13 -0.52 105.19 112.45 1q0r n GLY 275 Ca 0.02 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 1q0r n GLY 275 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1q0r n HIS 276 N 0.00 2.60 -3.67 1.61 -0.00 -0.20 -4.74 115.22 110.81 1q0r n HIS 276 Ca 0.00 -2.64 -0.02 0.00 0.46 0.00 0.00 57.72 55.52 1q0r n HIS 276 Cb 0.00 -1.43 -0.01 0.00 -0.12 0.00 0.00 29.99 28.43 1q0r n HIS 276 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1q0r s ALA 277 N -2.70 -1.90 -0.54 1.57 0.00 -1.26 -4.41 121.76 112.52 1q0r s ALA 277 Ca 0.40 0.50 0.06 0.00 0.00 0.00 0.00 51.96 52.92 1q0r s ALA 277 Cb 0.14 0.47 0.35 0.00 0.00 0.00 0.00 23.12 24.08 1q0r s ALA 277 CO -0.04 -0.99 0.93 1.28 0.00 0.00 0.00 175.76 176.94 1q0r n LEU 278 N -0.43 3.95 -4.73 0.00 4.77 -1.26 -4.97 117.00 114.32 1q0r n LEU 278 Ca -0.07 -5.53 -0.34 0.00 -0.03 0.00 0.00 56.01 50.04 1q0r n LEU 278 Cb 0.61 -0.36 0.08 0.00 -2.33 0.00 0.00 43.42 41.43 1q0r n LEU 278 CO 0.12 2.33 0.78 -2.16 -1.33 0.00 0.00 177.39 177.14 1q0r s PRO 279 N -3.33 2.33 0.62 3.23 0.04 -1.26 -4.88 135.00 131.75 1q0r s PRO 279 Ca 0.47 1.66 0.38 0.00 0.04 0.00 0.00 61.00 63.56 1q0r s PRO 279 Cb 0.30 -1.87 2.02 0.00 0.04 0.00 0.00 34.50 34.99 1q0r s PRO 279 CO -0.13 -1.67 2.25 0.66 0.04 0.00 0.00 177.00 178.15 1q0r h SER 280 N -0.18 0.00 -0.24 6.66 4.64 -1.96 -2.13 113.55 120.34 1q0r h SER 280 Ca -0.47 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 60.91 1q0r h SER 280 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 1q0r h SER 280 CO 0.51 0.02 0.30 0.77 -0.87 0.00 0.00 176.83 177.56 1q0r h SER 281 N 0.00 0.00 -0.08 4.97 4.64 -1.90 -1.85 113.55 119.34 1q0r h SER 281 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1q0r h SER 281 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1q0r h SER 281 CO 0.00 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.29 1q0r n VAL 282 N -3.61 0.14 -0.19 0.95 0.24 -0.80 -4.65 118.33 110.41 1q0r n VAL 282 Ca 0.03 -0.57 -0.08 0.00 -2.04 0.00 0.00 64.34 61.68 1q0r n VAL 282 Cb 0.43 1.18 0.02 0.00 -1.47 0.00 0.00 33.84 34.00 1q0r n VAL 282 CO 0.00 0.00 0.00 0.45 -2.14 0.00 0.00 176.83 175.14 1q0r h HIS 283 N 2.74 0.83 0.74 6.34 3.86 -1.41 -1.18 115.15 127.07 1q0r h HIS 283 Ca 0.00 -0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 59.11 1q0r h HIS 283 Cb 0.62 -0.25 0.01 0.00 1.06 0.00 0.00 27.41 28.85 1q0r h HIS 283 CO 0.04 0.67 -0.35 0.78 0.86 0.00 0.00 177.93 179.93 1q0r h GLY 284 N 0.74 -1.04 0.37 2.45 0.00 -1.83 0.00 103.07 103.78 1q0r h GLY 284 Ca 0.18 0.38 0.11 0.00 0.00 0.00 0.00 47.33 48.01 1q0r h GLY 284 CO -0.02 -0.38 0.36 -2.55 0.00 0.00 0.00 176.54 173.96 1q0r h PRO 285 N -1.08 0.57 -0.21 4.80 0.11 -1.84 -0.12 132.00 134.23 1q0r h PRO 285 Ca -0.10 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.95 1q0r h PRO 285 Cb 0.78 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 1q0r h PRO 285 CO 0.17 0.38 0.05 -0.07 -0.21 0.00 0.00 178.00 178.31 1q0r h LEU 286 N 0.59 0.31 -1.05 2.35 3.38 -1.17 -2.70 115.31 117.03 1q0r h LEU 286 Ca 0.38 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1q0r h LEU 286 Cb 0.46 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 1q0r h LEU 286 CO -0.31 0.46 0.40 0.00 0.09 0.00 0.00 178.44 179.08 1q0r h ALA 287 N 0.86 1.27 -0.37 1.53 0.00 -0.71 -1.77 119.26 120.06 1q0r h ALA 287 Ca 0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1q0r h ALA 287 Cb 0.27 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1q0r h ALA 287 CO 0.00 0.58 0.17 1.49 0.00 0.00 0.00 179.25 181.49 1q0r h GLU 288 N 1.07 0.54 -0.03 0.00 4.81 -0.90 0.39 114.58 120.47 1q0r h GLU 288 Ca 0.27 -0.09 -0.21 0.00 -0.13 0.00 0.00 59.36 59.20 1q0r h GLU 288 Cb 0.06 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1q0r h GLU 288 CO -0.04 0.50 -0.88 -0.24 -0.73 0.00 0.00 179.01 177.62 1q0r h VAL 289 N 0.46 1.39 -0.41 0.32 3.04 -1.29 -1.82 116.25 117.93 1q0r h VAL 289 Ca 0.13 -2.34 -0.06 0.00 -1.01 0.00 0.00 66.70 63.42 1q0r h VAL 289 Cb 0.14 2.31 -0.02 0.00 -2.01 0.00 0.00 31.29 31.72 1q0r h VAL 289 CO -0.01 0.70 0.02 0.40 -1.01 0.00 0.00 177.57 177.67 1q0r h ILE 290 N 0.26 1.25 -0.47 3.17 2.04 -1.22 -2.15 117.51 120.39 1q0r h ILE 290 Ca -0.06 -0.97 -0.10 0.00 1.00 0.00 0.00 64.86 64.73 1q0r h ILE 290 Cb 1.50 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 38.64 1q0r h ILE 290 CO 0.15 0.33 -0.09 -0.07 0.00 0.00 0.00 178.15 178.47 1q0r h LEU 291 N 0.54 0.84 -0.92 1.44 3.38 -0.86 -0.46 115.31 119.27 1q0r h LEU 291 Ca 0.12 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1q0r h LEU 291 Cb 0.44 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1q0r h LEU 291 CO 0.02 0.96 0.27 0.00 0.09 0.00 0.00 178.44 179.78 1q0r h ALA 292 N 1.12 1.14 0.04 1.53 0.00 -1.29 -1.72 119.26 120.09 1q0r h ALA 292 Ca 0.13 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1q0r h ALA 292 Cb 0.59 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1q0r h ALA 292 CO 0.04 0.61 -0.02 1.25 0.00 0.00 0.00 179.25 181.13 1q0r h HIS 293 N 1.03 -0.06 -0.39 0.00 -0.00 -0.88 -2.72 115.15 112.15 1q0r h HIS 293 Ca 0.24 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.57 1q0r h HIS 293 Cb 0.21 0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.62 1q0r h HIS 293 CO 0.02 0.33 0.09 1.79 -0.00 0.00 0.00 177.93 180.16 1q0r h THR 294 N -0.45 1.18 -0.81 6.26 1.35 -1.05 -2.21 112.91 117.17 1q0r h THR 294 Ca -0.01 -0.63 -0.03 0.00 -0.55 0.00 0.00 66.41 65.20 1q0r h THR 294 Cb 0.41 0.79 -0.04 0.00 -1.73 0.00 0.00 68.15 67.58 1q0r h THR 294 CO 0.01 0.23 0.39 -0.09 -0.25 0.00 0.00 175.52 175.81 1q0r h ARG 295 N 0.56 1.17 0.00 4.72 2.43 -1.28 -2.54 114.38 119.44 1q0r h ARG 295 Ca 0.13 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1q0r h ARG 295 Cb 0.22 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1q0r h ARG 295 CO -0.00 0.91 0.00 0.66 -1.51 0.00 0.00 179.97 180.02 1q0r h SER 296 N 1.16 0.00 -0.38 -3.80 4.64 -1.08 -2.93 113.55 111.15 1q0r h SER 296 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1q0r h SER 296 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1q0r h SER 296 CO -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.93 1q0r n ALA 297 N -2.09 2.90 -1.29 5.18 0.00 -0.96 -5.10 120.51 119.15 1q0r n ALA 297 Ca 0.02 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.52 1q0r n ALA 297 Cb 0.37 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1q0r n ALA 297 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50