#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qni s HIS 11 N 0.00 2.17 -0.28 0.00 0.09 -1.26 -4.55 115.29 111.46 1qni s HIS 11 Ca 0.00 -0.67 0.02 0.00 -0.00 0.00 0.00 55.06 54.42 1qni s HIS 11 Cb 0.00 -1.44 0.06 0.00 -0.00 0.00 0.00 32.58 31.21 1qni s HIS 11 CO 0.00 -0.22 -0.07 0.08 -0.00 0.00 0.00 174.74 174.54 1qni s VAL 12 N -0.03 2.34 0.59 -0.90 1.01 -1.26 -5.00 120.40 117.15 1qni s VAL 12 Ca -0.05 -1.69 -0.07 0.00 0.00 0.00 0.00 61.98 60.16 1qni s VAL 12 Cb -0.13 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 1qni s VAL 12 CO 0.04 -0.12 0.92 0.00 0.00 0.00 0.00 175.10 175.93 1qni s ALA 13 N 1.10 3.23 0.00 5.51 0.00 -1.26 -4.94 121.76 125.40 1qni s ALA 13 Ca -0.06 -0.51 -0.36 0.00 0.00 0.00 0.00 51.96 51.03 1qni s ALA 13 Cb -0.20 -2.73 -0.14 0.00 0.00 0.00 0.00 23.12 20.05 1qni s ALA 13 CO -0.05 -0.73 1.65 -2.30 0.00 0.00 0.00 175.76 174.33 1qni n PRO 14 N -2.60 1.80 0.00 0.00 -0.02 -1.26 -0.88 135.00 132.05 1qni n PRO 14 Ca 0.04 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1qni n PRO 14 Cb 0.56 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1qni n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qni n GLY 15 N 3.65 3.02 3.95 -1.23 0.00 -1.26 -5.06 105.19 108.26 1qni n GLY 15 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 1qni n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qni s GLU 16 N -0.51 3.34 0.20 1.61 2.02 -0.05 -5.11 118.70 120.19 1qni s GLU 16 Ca 0.00 -0.45 0.10 0.00 0.02 0.00 0.00 54.97 54.64 1qni s GLU 16 Cb 0.00 -2.66 -0.04 0.00 0.10 0.00 0.00 34.13 31.53 1qni s GLU 16 CO 0.00 0.04 -0.13 -0.51 0.02 0.00 0.00 175.26 174.68 1qni s LEU 17 N -4.35 2.84 0.78 1.80 1.43 -1.26 -4.78 118.68 115.13 1qni s LEU 17 Ca 0.42 -0.69 -0.11 0.00 -1.03 0.00 0.00 54.13 52.73 1qni s LEU 17 Cb -0.10 -1.51 0.06 0.00 0.03 0.00 0.00 46.19 44.68 1qni s LEU 17 CO 0.36 0.09 1.09 -1.81 0.23 0.00 0.00 176.35 176.31 1qni s ASP 18 N -2.91 4.56 -0.14 2.29 1.11 -1.26 -5.01 116.67 115.31 1qni s ASP 18 Ca 0.25 1.48 0.07 0.00 0.18 0.00 0.00 52.55 54.53 1qni s ASP 18 Cb -0.08 -2.24 -0.23 0.00 1.07 0.00 0.00 42.92 41.43 1qni s ASP 18 CO 0.14 -1.95 0.29 -0.62 1.18 0.00 0.00 175.17 174.21 1qni n GLU 19 N -3.44 0.68 -4.39 8.23 1.02 -0.45 -4.90 120.64 117.40 1qni n GLU 19 Ca 0.07 0.19 -0.23 0.00 -0.02 0.00 0.00 57.16 57.17 1qni n GLU 19 Cb 0.55 -1.66 -0.11 0.00 -0.02 0.00 0.00 31.44 30.20 1qni n GLU 19 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1qni s TYR 20 N -2.55 2.03 0.04 -0.32 1.51 -0.93 -0.75 117.35 116.38 1qni s TYR 20 Ca -0.16 -0.42 -0.08 0.00 -1.01 0.00 0.00 57.07 55.39 1qni s TYR 20 Cb 0.07 -0.97 -0.05 0.00 -0.11 0.00 0.00 41.96 40.90 1qni s TYR 20 CO 0.77 0.46 0.33 0.71 -1.11 0.00 0.00 175.55 176.71 1qni s TYR 21 N -2.16 3.59 -0.26 2.71 2.02 0.20 -1.30 117.35 122.15 1qni s TYR 21 Ca 0.21 0.69 0.03 0.00 -0.37 0.00 0.00 57.07 57.63 1qni s TYR 21 Cb -0.06 -2.08 0.06 0.00 -0.40 0.00 0.00 41.96 39.48 1qni s TYR 21 CO 0.09 0.57 -0.11 0.20 -1.57 0.00 0.00 175.55 174.74 1qni s GLY 22 N -1.68 1.63 -0.64 0.71 0.00 0.42 -1.71 107.32 106.04 1qni s GLY 22 Ca 0.29 -1.72 -0.19 0.00 0.00 0.00 0.00 44.72 43.10 1qni s GLY 22 CO 0.17 0.62 0.77 -1.36 0.00 0.00 0.00 173.10 173.29 1qni s PHE 23 N 1.13 3.02 -0.07 1.90 0.08 -0.19 0.44 117.98 124.29 1qni s PHE 23 Ca -0.08 -1.02 -0.22 0.00 0.12 0.00 0.00 56.93 55.73 1qni s PHE 23 Cb -0.20 -4.05 -0.04 0.00 -0.57 0.00 0.00 43.02 38.16 1qni s PHE 23 CO -0.05 -1.33 0.65 -1.58 -0.10 0.00 0.00 175.22 172.80 1qni s TRP 24 N 2.67 3.58 0.56 0.36 0.51 0.12 -1.86 118.94 124.89 1qni s TRP 24 Ca 0.15 1.18 -0.18 0.00 -2.12 0.00 0.00 56.10 55.13 1qni s TRP 24 Cb -0.21 -2.73 -0.05 0.00 -0.81 0.00 0.00 33.47 29.67 1qni s TRP 24 CO 0.04 0.14 1.08 -1.54 -0.51 0.00 0.00 176.95 176.17 1qni s SER 25 N 0.62 5.78 0.00 2.95 1.04 -1.03 -0.44 113.70 122.62 1qni s SER 25 Ca 0.34 1.98 0.24 0.00 0.48 0.00 0.00 55.95 58.99 1qni s SER 25 Cb -0.17 -2.56 0.18 0.00 0.10 0.00 0.00 66.02 63.57 1qni s SER 25 CO 0.17 -1.17 1.24 0.61 0.98 0.00 0.00 173.24 175.07 1qni n GLY 26 N -0.40 0.67 7.00 7.32 0.00 -0.47 -4.27 105.19 115.04 1qni n GLY 26 Ca 0.10 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1qni n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qni n GLY 27 N 1.36 1.42 0.00 -0.02 0.00 0.53 -2.35 105.19 106.14 1qni n GLY 27 Ca 0.13 -0.66 0.01 0.00 0.00 0.00 0.00 46.02 45.51 1qni n GLY 27 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1qni n HIS 28 N 7.65 0.00 0.14 1.61 1.44 -1.26 -0.84 115.22 123.97 1qni n HIS 28 Ca 0.00 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.78 1qni n HIS 28 Cb 0.00 0.00 0.04 0.00 0.12 0.00 0.00 29.99 30.15 1qni n HIS 28 CO 0.00 0.00 0.00 0.37 -2.81 0.00 0.00 176.34 173.90 1qni h GLN 29 N 0.00 0.00 0.00 -1.40 -0.00 -1.62 -3.41 115.11 108.69 1qni h GLN 29 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1qni h GLN 29 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.48 1qni h GLN 29 CO 0.00 0.22 0.00 0.41 0.00 0.00 0.00 178.83 179.46 1qni n GLY 30 N 1.21 3.17 4.03 2.39 0.00 -0.97 -4.56 105.19 110.46 1qni n GLY 30 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1qni n GLY 30 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1qni s GLU 31 N -0.42 2.10 -0.07 1.61 -1.05 -1.26 -2.13 118.70 117.48 1qni s GLU 31 Ca 0.00 -1.55 0.05 0.00 -0.15 0.00 0.00 54.97 53.32 1qni s GLU 31 Cb 0.00 -2.56 -0.01 0.00 -0.44 0.00 0.00 34.13 31.11 1qni s GLU 31 CO 0.00 -1.05 -0.21 0.08 0.95 0.00 0.00 175.26 175.03 1qni s VAL 32 N -2.81 2.39 -0.14 1.83 1.01 -0.74 -1.37 120.40 120.58 1qni s VAL 32 Ca 0.64 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 1qni s VAL 32 Cb -0.05 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1qni s VAL 32 CO 0.41 0.57 -0.05 -0.13 0.00 0.00 0.00 175.10 175.89 1qni s ARG 33 N -0.18 3.49 -0.40 2.72 0.52 0.41 -0.51 118.95 125.00 1qni s ARG 33 Ca -0.02 -0.54 -0.14 0.00 -0.52 0.00 0.00 55.73 54.50 1qni s ARG 33 Cb -0.14 -2.82 0.02 0.00 0.52 0.00 0.00 34.95 32.53 1qni s ARG 33 CO 0.03 0.31 0.28 0.08 0.02 0.00 0.00 175.30 176.02 1qni s VAL 34 N 0.16 5.15 0.28 3.52 1.01 0.60 0.16 120.40 131.27 1qni s VAL 34 Ca -0.02 -0.64 0.08 0.00 0.00 0.00 0.00 61.98 61.39 1qni s VAL 34 Cb -0.14 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1qni s VAL 34 CO 0.03 -0.26 0.15 -0.76 0.00 0.00 0.00 175.10 174.26 1qni s LEU 35 N 1.66 3.56 -0.16 3.92 1.43 0.17 0.11 118.68 129.38 1qni s LEU 35 Ca 0.05 -0.44 -0.06 0.00 -1.03 0.00 0.00 54.13 52.65 1qni s LEU 35 Cb -0.19 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 1qni s LEU 35 CO 0.09 -0.09 0.03 -0.83 0.23 0.00 0.00 176.35 175.78 1qni s GLY 36 N -3.82 1.86 -0.03 -3.19 0.00 -0.14 0.16 107.32 102.16 1qni s GLY 36 Ca 0.34 -0.77 0.03 0.00 0.00 0.00 0.00 44.72 44.33 1qni s GLY 36 CO 0.24 -0.07 -0.11 0.14 0.00 0.00 0.00 173.10 173.30 1qni s VAL 37 N 0.16 3.37 -2.30 1.40 1.01 -0.42 0.64 120.40 124.26 1qni s VAL 37 Ca 0.03 -0.74 0.26 0.00 0.00 0.00 0.00 61.98 61.53 1qni s VAL 37 Cb -0.13 -2.39 0.59 0.00 0.00 0.00 0.00 36.38 34.45 1qni s VAL 37 CO 0.01 0.50 1.79 -0.81 0.00 0.00 0.00 175.10 176.59 1qni n PRO 38 N 1.95 1.49 -0.02 2.72 -0.04 -1.26 -1.34 135.00 138.50 1qni n PRO 38 Ca -0.17 -0.72 0.03 0.00 -0.04 0.00 0.00 63.50 62.61 1qni n PRO 38 Cb 0.52 -1.44 0.40 0.00 -0.04 0.00 0.00 33.50 32.94 1qni n PRO 38 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1qni h SER 39 N 1.64 0.51 -0.75 3.54 4.64 -1.79 -3.46 113.55 117.88 1qni h SER 39 Ca 0.00 -0.02 -0.17 0.00 -0.47 0.00 0.00 61.79 61.13 1qni h SER 39 Cb 0.35 -0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 62.27 1qni h SER 39 CO 0.00 0.38 -0.18 0.23 -0.87 0.00 0.00 176.83 176.39 1qni n MET 40 N -4.46 -0.63 -3.28 4.77 2.81 0.21 -5.01 117.12 111.52 1qni n MET 40 Ca 0.04 0.63 -0.32 0.00 -1.81 0.00 0.00 57.70 56.24 1qni n MET 40 Cb 0.06 -4.54 -0.05 0.00 -0.71 0.00 0.00 33.22 27.98 1qni n MET 40 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1qni s ARG 41 N -3.45 3.84 -0.20 0.03 0.52 -1.18 -4.82 118.95 113.69 1qni s ARG 41 Ca 0.00 0.37 -0.24 0.00 -0.52 0.00 0.00 55.73 55.35 1qni s ARG 41 Cb 0.00 -2.56 -0.02 0.00 0.52 0.00 0.00 34.95 32.89 1qni s ARG 41 CO 0.00 0.23 0.77 -2.00 0.02 0.00 0.00 175.30 174.32 1qni s GLU 42 N -3.02 4.24 -0.08 3.54 2.12 -1.26 -0.97 118.70 123.26 1qni s GLU 42 Ca 0.49 0.87 0.17 0.00 0.36 0.00 0.00 54.97 56.86 1qni s GLU 42 Cb -0.11 -3.59 -0.23 0.00 0.26 0.00 0.00 34.13 30.46 1qni s GLU 42 CO 0.22 -0.35 0.43 1.28 -0.54 0.00 0.00 175.26 176.30 1qni n LEU 43 N 5.38 0.40 -3.47 2.70 4.77 0.31 -4.95 117.00 122.14 1qni n LEU 43 Ca 0.03 0.18 -0.11 0.00 -0.03 0.00 0.00 56.01 56.09 1qni n LEU 43 Cb 0.49 0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.82 1qni n LEU 43 CO 0.47 0.33 0.55 -0.32 -1.33 0.00 0.00 177.39 177.09 1qni s MET 44 N -2.74 1.02 -0.07 3.23 0.00 -0.95 -5.00 119.30 114.79 1qni s MET 44 Ca -0.07 -0.31 0.04 0.00 0.00 0.00 0.00 55.69 55.35 1qni s MET 44 Cb 0.08 0.47 0.00 0.00 0.00 0.00 0.00 34.83 35.38 1qni s MET 44 CO 0.83 -0.43 -0.19 1.03 0.00 0.00 0.00 175.02 176.26 1qni s ARG 45 N -3.15 2.27 -0.37 4.11 0.52 -1.26 -0.29 118.95 120.77 1qni s ARG 45 Ca 0.02 -0.67 -0.06 0.00 -0.52 0.00 0.00 55.73 54.50 1qni s ARG 45 Cb -0.01 -1.82 0.07 0.00 0.52 0.00 0.00 34.95 33.71 1qni s ARG 45 CO -0.09 0.17 0.16 0.42 0.02 0.00 0.00 175.30 175.98 1qni s ILE 46 N 0.32 3.66 0.48 1.52 1.01 0.33 -4.98 121.20 123.53 1qni s ILE 46 Ca -0.12 -1.47 -0.24 0.00 0.00 0.00 0.00 60.65 58.82 1qni s ILE 46 Cb -0.15 -3.23 -0.07 0.00 0.01 0.00 0.00 42.46 39.02 1qni s ILE 46 CO 0.05 -0.38 1.33 -2.16 0.00 0.00 0.00 174.94 173.77 1qni s PRO 47 N 1.32 3.55 0.01 2.79 0.04 -1.26 -1.79 135.00 139.66 1qni s PRO 47 Ca 0.01 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.23 1qni s PRO 47 Cb -0.21 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.84 1qni s PRO 47 CO 0.00 -0.84 0.00 0.28 0.04 0.00 0.00 177.00 176.48 1qni n VAL 48 N -0.49 0.01 0.53 -0.36 0.31 -1.25 -4.38 118.33 112.70 1qni n VAL 48 Ca 0.07 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.47 1qni n VAL 48 Cb 0.44 -0.29 0.05 0.00 -0.91 0.00 0.00 33.84 33.13 1qni n VAL 48 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1qni n PHE 49 N -2.53 0.00 -2.85 3.52 3.72 -0.91 -4.98 117.46 113.43 1qni n PHE 49 Ca 0.00 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.20 1qni n PHE 49 Cb 0.00 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.59 1qni n PHE 49 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1qni s ASN 50 N -1.09 5.16 -0.29 4.37 6.03 -1.25 -3.66 114.94 124.21 1qni s ASN 50 Ca 0.14 -0.44 -0.03 0.00 -1.03 0.00 0.00 52.86 51.50 1qni s ASN 50 Cb 0.10 -0.31 0.04 0.00 -3.03 0.00 0.00 41.25 38.05 1qni s ASN 50 CO 0.17 -1.22 0.01 -0.69 -2.03 0.00 0.00 177.10 173.34 1qni s VAL 51 N -2.68 3.20 -0.26 3.54 1.01 -1.26 -4.67 120.40 119.28 1qni s VAL 51 Ca 0.60 -1.18 -0.21 0.00 0.00 0.00 0.00 61.98 61.19 1qni s VAL 51 Cb -0.08 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 1qni s VAL 51 CO 0.38 -0.02 0.66 -0.62 0.00 0.00 0.00 175.10 175.50 1qni s ASP 52 N 1.32 6.60 0.47 3.32 2.15 -0.53 -4.93 116.67 125.08 1qni s ASP 52 Ca -0.03 0.72 0.24 0.00 0.43 0.00 0.00 52.55 53.92 1qni s ASP 52 Cb -0.19 -2.35 1.19 0.00 -0.30 0.00 0.00 42.92 41.27 1qni s ASP 52 CO -0.01 -0.41 1.97 -1.28 -0.17 0.00 0.00 175.17 175.27 1qni h SER 53 N 7.90 0.00 0.01 -0.34 0.87 -1.95 -1.17 113.55 118.87 1qni h SER 53 Ca -0.26 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.30 1qni h SER 53 Cb 1.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1qni h SER 53 CO 0.79 0.19 -0.00 0.00 -0.53 0.00 0.00 176.83 177.28 1qni h ALA 54 N 1.81 -0.05 0.00 6.23 0.00 -1.91 -3.37 119.26 121.96 1qni h ALA 54 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qni h ALA 54 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1qni h ALA 54 CO 0.02 -0.05 0.00 1.79 0.00 0.00 0.00 179.25 181.01 1qni h THR 55 N -0.17 0.00 0.00 0.00 1.35 -1.89 -3.35 112.91 108.85 1qni h THR 55 Ca -0.00 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1qni h THR 55 Cb 0.01 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 1qni h THR 55 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1qni n GLY 56 N 0.50 0.44 3.66 5.82 0.00 -0.45 -1.75 105.19 113.40 1qni n GLY 56 Ca 0.03 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 1qni n GLY 56 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1qni s TRP 57 N -2.00 1.91 0.00 1.61 -0.11 -1.17 -0.14 118.94 119.04 1qni s TRP 57 Ca 0.00 0.17 0.00 0.00 1.22 0.00 0.00 56.10 57.49 1qni s TRP 57 Cb 0.00 -3.95 0.00 0.00 -1.50 0.00 0.00 33.47 28.02 1qni s TRP 57 CO 0.00 -3.94 0.00 0.41 -4.62 0.00 0.00 176.95 168.80 1qni n GLY 58 N 4.24 1.20 0.50 5.86 0.00 -1.26 -1.45 105.19 114.27 1qni n GLY 58 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 1qni n GLY 58 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1qni n ILE 59 N -1.29 0.61 -0.99 -0.61 5.41 0.80 -4.82 119.36 118.48 1qni n ILE 59 Ca 0.00 -0.18 -0.33 0.00 1.00 0.00 0.00 62.75 63.25 1qni n ILE 59 Cb 0.00 -1.45 0.14 0.00 -0.71 0.00 0.00 39.64 37.62 1qni n ILE 59 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1qni s THR 60 N -2.21 2.05 0.18 1.39 -4.23 0.58 -4.69 115.64 108.71 1qni s THR 60 Ca -0.15 0.02 -0.07 0.00 -1.18 0.00 0.00 61.69 60.31 1qni s THR 60 Cb 0.05 -2.31 -0.02 0.00 1.34 0.00 0.00 72.50 71.56 1qni s THR 60 CO 0.21 -0.02 1.53 0.78 -0.54 0.00 0.00 174.62 176.58 1qni h ASN 61 N -1.20 0.84 0.02 3.99 -0.26 -1.46 -2.14 115.58 115.36 1qni h ASN 61 Ca -0.45 -0.38 0.01 0.00 -0.56 0.00 0.00 56.30 54.92 1qni h ASN 61 Cb 1.29 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 38.30 1qni h ASN 61 CO 0.45 1.12 -0.06 -0.33 -1.06 0.00 0.00 177.43 177.55 1qni h GLU 62 N 0.65 -0.11 -0.57 0.81 3.07 -1.91 -1.21 114.58 115.31 1qni h GLU 62 Ca 0.05 0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.86 1qni h GLU 62 Cb 0.94 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.85 1qni h GLU 62 CO 0.09 -0.07 0.11 0.66 -1.40 0.00 0.00 179.01 178.39 1qni h SER 63 N -0.11 0.89 0.16 1.42 4.64 -1.90 -2.54 113.55 116.11 1qni h SER 63 Ca 0.02 -0.25 -0.02 0.00 -0.47 0.00 0.00 61.79 61.06 1qni h SER 63 Cb 0.13 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1qni h SER 63 CO -0.05 0.92 -0.10 0.11 -0.87 0.00 0.00 176.83 176.84 1qni h LYS 64 N 0.83 0.00 0.00 4.77 1.57 -1.16 0.44 116.57 123.03 1qni h LYS 64 Ca 0.18 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.80 1qni h LYS 64 Cb 0.39 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1qni h LYS 64 CO 0.01 0.10 -0.72 1.49 -0.57 0.00 0.00 179.45 179.76 1qni h GLU 65 N 0.00 0.00 0.06 3.15 4.81 -0.85 -1.58 114.58 120.18 1qni h GLU 65 Ca -0.00 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 1qni h GLU 65 Cb 0.21 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.61 1qni h GLU 65 CO 0.01 0.72 -1.04 0.82 -0.73 0.00 0.00 179.01 178.79 1qni h ILE 66 N 0.00 1.32 -0.06 2.32 2.04 -0.81 -3.24 117.51 119.08 1qni h ILE 66 Ca -0.01 -2.33 -0.08 0.00 1.00 0.00 0.00 64.86 63.45 1qni h ILE 66 Cb 1.33 2.61 -0.01 0.00 -0.74 0.00 0.00 36.82 40.01 1qni h ILE 66 CO 0.09 0.70 -0.34 -0.07 0.00 0.00 0.00 178.15 178.54 1qni h LEU 67 N 0.21 0.11 0.00 1.44 3.38 -0.93 -3.31 115.31 116.20 1qni h LEU 67 Ca -0.15 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1qni h LEU 67 Cb 1.73 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.45 1qni h LEU 67 CO 0.20 0.44 0.00 0.61 0.09 0.00 0.00 178.44 179.78 1qni n GLY 68 N -0.47 2.04 0.47 0.83 0.00 -0.60 -4.95 105.19 102.52 1qni n GLY 68 Ca -0.02 -0.26 0.06 0.00 0.00 0.00 0.00 46.02 45.80 1qni n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qni n GLY 69 N 0.00 -2.72 1.48 -0.02 0.00 -1.26 -4.64 105.19 98.03 1qni n GLY 69 Ca 0.00 -1.33 0.08 0.00 0.00 0.00 0.00 46.02 44.77 1qni n GLY 69 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qni n ASP 70 N -2.84 4.95 -3.61 1.61 5.68 -1.26 -4.91 116.55 116.17 1qni n ASP 70 Ca -0.03 -2.92 -0.15 0.00 -0.50 0.00 0.00 54.79 51.19 1qni n ASP 70 Cb 0.22 -0.62 -0.07 0.00 -1.14 0.00 0.00 41.12 39.51 1qni n ASP 70 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 1qni s GLN 71 N -2.71 0.87 -0.10 0.11 0.74 -1.26 -5.14 119.66 112.17 1qni s GLN 71 Ca 0.49 0.68 -0.22 0.00 0.05 0.00 0.00 55.36 56.36 1qni s GLN 71 Cb 0.38 0.42 -0.03 0.00 1.10 0.00 0.00 33.01 34.88 1qni s GLN 71 CO 0.14 -0.17 0.67 -1.14 -0.55 0.00 0.00 175.29 174.23 1qni s GLN 72 N -0.21 4.38 -0.21 1.67 0.74 -1.26 -5.04 119.66 119.73 1qni s GLN 72 Ca -0.04 0.79 -0.05 0.00 0.05 0.00 0.00 55.36 56.12 1qni s GLN 72 Cb -0.03 -3.47 -0.02 0.00 1.10 0.00 0.00 33.01 30.59 1qni s GLN 72 CO 0.04 0.01 -0.01 0.71 -0.55 0.00 0.00 175.29 175.48 1qni s TYR 73 N 1.03 3.00 -2.28 1.67 2.02 -1.26 -4.97 117.35 116.55 1qni s TYR 73 Ca 0.35 -0.64 0.21 0.00 -0.37 0.00 0.00 57.07 56.61 1qni s TYR 73 Cb -0.17 -2.10 0.75 0.00 -0.40 0.00 0.00 41.96 40.04 1qni s TYR 73 CO 0.16 -0.37 1.55 1.28 -1.57 0.00 0.00 175.55 176.59 1qni n LEU 74 N 4.51 1.69 -4.24 -1.29 4.77 -1.26 -4.91 117.00 116.27 1qni n LEU 74 Ca -0.17 -0.70 -0.16 0.00 -0.03 0.00 0.00 56.01 54.95 1qni n LEU 74 Cb 0.51 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.41 1qni n LEU 74 CO 0.30 0.35 -0.15 0.54 -1.33 0.00 0.00 177.39 177.10 1qni s ASN 75 N -1.58 0.96 0.11 -1.43 6.03 -1.24 -4.44 114.94 113.36 1qni s ASN 75 Ca 0.32 -1.58 -0.26 0.00 -1.03 0.00 0.00 52.86 50.31 1qni s ASN 75 Cb 0.18 0.48 0.08 0.00 -3.03 0.00 0.00 41.25 38.96 1qni s ASN 75 CO 0.26 -0.98 1.05 -0.83 -2.03 0.00 0.00 177.10 174.58 1qni s GLY 76 N -3.27 -0.28 -0.34 0.45 0.00 -1.25 -4.74 107.32 97.89 1qni s GLY 76 Ca 0.39 0.27 0.01 0.00 0.00 0.00 0.00 44.72 45.40 1qni s GLY 76 CO 0.20 0.03 0.28 -0.35 0.00 0.00 0.00 173.10 173.27 1qni s ASP 77 N -2.95 2.13 -0.19 1.64 2.15 -1.26 -3.93 116.67 114.26 1qni s ASP 77 Ca 0.13 -1.66 -0.08 0.00 0.43 0.00 0.00 52.55 51.37 1qni s ASP 77 Cb 0.00 0.11 -0.04 0.00 -0.30 0.00 0.00 42.92 42.70 1qni s ASP 77 CO 0.01 -0.31 0.07 0.00 -0.17 0.00 0.00 175.17 174.77 1qni n HIS 79 N 3.65 0.00 -3.75 0.00 8.25 -1.26 -0.35 115.22 121.76 1qni n HIS 79 Ca -0.16 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 56.93 1qni n HIS 79 Cb 0.52 -0.19 -0.11 0.00 1.12 0.00 0.00 29.99 31.33 1qni n HIS 79 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1qni s HIS 80 N -2.10 3.51 -0.12 4.41 3.76 -1.26 -2.47 115.29 121.02 1qni s HIS 80 Ca -0.07 -2.55 -0.22 0.00 -0.15 0.00 0.00 55.06 52.08 1qni s HIS 80 Cb 0.02 -3.21 -0.03 0.00 1.11 0.00 0.00 32.58 30.47 1qni s HIS 80 CO 0.11 -0.92 0.64 -1.25 -0.85 0.00 0.00 174.74 172.48 1qni s PRO 81 N 0.63 4.34 0.00 8.40 0.04 -1.26 -4.14 135.00 143.02 1qni s PRO 81 Ca 0.12 0.72 0.02 0.00 0.04 0.00 0.00 61.00 61.90 1qni s PRO 81 Cb -0.22 -3.49 -0.01 0.00 0.04 0.00 0.00 34.50 30.82 1qni s PRO 81 CO -0.04 -0.04 -0.07 -1.01 0.04 0.00 0.00 177.00 175.89 1qni s HIS 82 N 1.19 0.62 -0.12 0.56 3.76 -0.41 -4.52 115.29 116.37 1qni s HIS 82 Ca 0.33 -0.16 -0.10 0.00 -0.15 0.00 0.00 55.06 54.97 1qni s HIS 82 Cb -0.17 -0.39 -0.05 0.00 1.11 0.00 0.00 32.58 33.09 1qni s HIS 82 CO 0.14 -0.02 0.22 -1.50 -0.85 0.00 0.00 174.74 172.74 1qni s ILE 83 N -0.31 5.35 0.62 0.60 2.07 -1.26 -0.54 121.20 127.73 1qni s ILE 83 Ca 0.01 0.40 -0.18 0.00 -1.41 0.00 0.00 60.65 59.48 1qni s ILE 83 Cb -0.04 -3.52 -0.05 0.00 0.13 0.00 0.00 42.46 38.99 1qni s ILE 83 CO -0.00 0.54 0.87 -1.54 -1.91 0.00 0.00 174.94 172.89 1qni n SER 84 N 2.51 0.32 -4.21 4.50 3.41 -0.28 -4.85 113.62 115.02 1qni n SER 84 Ca -0.16 0.76 -0.14 0.00 -0.26 0.00 0.00 58.87 59.06 1qni n SER 84 Cb 0.53 -1.35 -0.10 0.00 -0.26 0.00 0.00 64.21 63.03 1qni n SER 84 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1qni s MET 85 N -2.74 0.95 -0.18 4.33 1.00 -1.26 -1.66 119.30 119.74 1qni s MET 85 Ca 0.75 -1.31 -0.02 0.00 0.00 0.00 0.00 55.69 55.10 1qni s MET 85 Cb -0.41 -0.57 0.06 0.00 0.00 0.00 0.00 34.83 33.91 1qni s MET 85 CO 0.48 0.08 0.02 0.99 0.00 0.00 0.00 175.02 176.59 1qni s THR 86 N -2.92 0.59 -1.17 2.05 2.01 0.41 -1.03 115.64 115.59 1qni s THR 86 Ca 0.11 -0.52 -0.09 0.00 0.31 0.00 0.00 61.69 61.50 1qni s THR 86 Cb 0.00 -1.03 -0.02 0.00 0.01 0.00 0.00 72.50 71.46 1qni s THR 86 CO -0.00 -0.14 0.81 -0.67 -0.69 0.00 0.00 174.62 173.93 1qni n ASP 87 N 5.03 -4.22 -0.98 3.53 2.03 0.24 -2.44 116.55 119.74 1qni n ASP 87 Ca -0.09 -0.84 -0.13 0.00 0.52 0.00 0.00 54.79 54.25 1qni n ASP 87 Cb 0.47 -4.23 -0.05 0.00 -0.72 0.00 0.00 41.12 36.59 1qni n ASP 87 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qni n GLY 88 N -1.48 1.33 3.04 0.27 0.00 -0.40 -4.91 105.19 103.04 1qni n GLY 88 Ca -0.16 -0.26 -0.17 0.00 0.00 0.00 0.00 46.02 45.43 1qni n GLY 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qni s ARG 89 N -3.00 0.66 0.08 1.61 0.52 -1.02 -0.93 118.95 116.87 1qni s ARG 89 Ca 0.00 -0.47 -0.31 0.00 -0.52 0.00 0.00 55.73 54.43 1qni s ARG 89 Cb 0.00 -0.61 -0.09 0.00 0.52 0.00 0.00 34.95 34.77 1qni s ARG 89 CO 0.00 0.16 1.83 0.71 0.02 0.00 0.00 175.30 178.02 1qni s TYR 90 N -0.56 1.94 -1.72 -0.53 2.02 -1.26 -0.44 117.35 116.80 1qni s TYR 90 Ca 0.00 -0.08 0.21 0.00 -0.37 0.00 0.00 57.07 56.82 1qni s TYR 90 Cb -0.05 -4.15 -0.05 0.00 -0.40 0.00 0.00 41.96 37.31 1qni s TYR 90 CO 0.00 -4.87 0.99 -0.40 -1.57 0.00 0.00 175.55 169.71 1qni n ASP 91 N 6.24 1.75 -0.20 2.29 5.68 -0.67 -4.84 116.55 126.80 1qni n ASP 91 Ca 0.18 -1.38 -0.03 0.00 -0.50 0.00 0.00 54.79 53.07 1qni n ASP 91 Cb 0.39 0.57 -0.01 0.00 -1.14 0.00 0.00 41.12 40.94 1qni n ASP 91 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qni n GLY 92 N 1.37 0.37 0.08 6.12 0.00 -1.24 -4.91 105.19 106.99 1qni n GLY 92 Ca 0.08 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1qni n GLY 92 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1qni h LYS 93 N 0.21 -0.05 -5.42 1.61 3.64 -1.86 -3.42 116.57 111.26 1qni h LYS 93 Ca -0.05 0.00 -0.46 0.00 -1.27 0.00 0.00 60.65 58.87 1qni h LYS 93 Cb 0.80 0.01 -0.14 0.00 -0.41 0.00 0.00 32.23 32.49 1qni h LYS 93 CO 0.08 0.56 -0.68 0.71 -2.27 0.00 0.00 179.45 177.84 1qni s TYR 94 N -2.53 1.81 -0.06 1.91 2.02 -1.26 -2.33 117.35 116.92 1qni s TYR 94 Ca -0.13 -0.72 0.00 0.00 -0.37 0.00 0.00 57.07 55.85 1qni s TYR 94 Cb -0.01 -1.00 0.02 0.00 -0.40 0.00 0.00 41.96 40.57 1qni s TYR 94 CO 0.49 0.23 -0.02 -1.17 -1.57 0.00 0.00 175.55 173.50 1qni s LEU 95 N -3.39 1.03 0.09 -1.29 0.20 -0.93 -1.13 118.68 113.27 1qni s LEU 95 Ca 0.28 -0.11 0.06 0.00 0.69 0.00 0.00 54.13 55.05 1qni s LEU 95 Cb 0.03 -0.45 -0.04 0.00 -0.43 0.00 0.00 46.19 45.31 1qni s LEU 95 CO 0.10 -0.11 -0.08 -0.36 -0.29 0.00 0.00 176.35 175.61 1qni s PHE 96 N 1.36 2.80 0.04 5.38 0.40 0.30 0.13 117.98 128.40 1qni s PHE 96 Ca -0.04 -0.12 -0.18 0.00 -0.60 0.00 0.00 56.93 55.98 1qni s PHE 96 Cb -0.13 -1.47 0.04 0.00 0.51 0.00 0.00 43.02 41.97 1qni s PHE 96 CO -0.02 0.43 0.42 -1.50 0.70 0.00 0.00 175.22 175.25 1qni s ILE 97 N -1.22 0.05 0.43 0.64 2.07 -0.69 -1.29 121.20 121.20 1qni s ILE 97 Ca 0.22 -0.44 0.01 0.00 -1.41 0.00 0.00 60.65 59.03 1qni s ILE 97 Cb -0.11 -0.94 -0.01 0.00 0.13 0.00 0.00 42.46 41.53 1qni s ILE 97 CO 0.14 -0.24 0.64 0.54 -1.91 0.00 0.00 174.94 174.11 1qni s ASN 98 N -1.97 5.88 -0.30 4.50 2.20 -1.26 -0.46 114.94 123.53 1qni s ASN 98 Ca -0.06 0.23 -0.01 0.00 -0.94 0.00 0.00 52.86 52.08 1qni s ASN 98 Cb -0.01 -1.52 0.10 0.00 -2.00 0.00 0.00 41.25 37.82 1qni s ASN 98 CO -0.02 -0.64 0.10 -0.62 -2.94 0.00 0.00 177.10 172.98 1qni s ASP 99 N -4.20 3.92 0.30 3.54 2.15 0.62 -3.57 116.67 119.43 1qni s ASP 99 Ca 0.47 -1.56 0.16 0.00 0.43 0.00 0.00 52.55 52.06 1qni s ASP 99 Cb -0.10 -0.78 0.29 0.00 -0.30 0.00 0.00 42.92 42.04 1qni s ASP 99 CO 0.37 -0.41 1.55 0.50 -0.17 0.00 0.00 175.17 177.00 1qni h LYS 100 N 8.14 0.00 -0.19 4.34 3.64 -0.23 -2.64 116.57 129.63 1qni h LYS 100 Ca -0.15 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.03 1qni h LYS 100 Cb 1.02 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.84 1qni h LYS 100 CO 0.46 0.50 -0.69 0.00 -2.27 0.00 0.00 179.45 177.45 1qni h ALA 101 N 1.50 0.34 0.00 5.00 0.00 -1.86 -3.37 119.26 120.88 1qni h ALA 101 Ca -0.01 -0.57 -0.07 0.00 0.00 0.00 0.00 54.91 54.27 1qni h ALA 101 Cb 1.22 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.83 1qni h ALA 101 CO 0.07 0.66 -0.69 0.09 0.00 0.00 0.00 179.25 179.38 1qni n ASN 102 N -3.98 1.42 -3.52 0.00 3.02 -1.25 -4.93 115.26 106.02 1qni n ASN 102 Ca -0.07 -3.11 -0.21 0.00 -0.03 0.00 0.00 54.58 51.17 1qni n ASN 102 Cb 0.70 -0.43 0.03 0.00 -0.61 0.00 0.00 39.78 39.47 1qni n ASN 102 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1qni n THR 103 N -0.49 -6.66 -4.09 3.41 -1.04 -1.03 -4.94 114.28 99.45 1qni n THR 103 Ca 0.13 -0.61 -0.08 0.00 -2.04 0.00 0.00 64.05 61.45 1qni n THR 103 Cb 0.86 -4.86 -0.10 0.00 -1.82 0.00 0.00 70.33 64.42 1qni n THR 103 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1qni s ARG 104 N -4.90 0.78 0.01 -2.82 0.52 -1.03 -2.68 118.95 108.82 1qni s ARG 104 Ca 0.26 -1.28 0.04 0.00 -0.52 0.00 0.00 55.73 54.23 1qni s ARG 104 Cb -0.08 0.24 -0.01 0.00 0.52 0.00 0.00 34.95 35.62 1qni s ARG 104 CO 0.83 -0.20 -0.12 0.08 0.02 0.00 0.00 175.30 175.92 1qni s VAL 105 N -3.97 0.92 0.17 3.52 1.01 -0.52 -0.27 120.40 121.27 1qni s VAL 105 Ca 0.14 -0.63 0.09 0.00 0.00 0.00 0.00 61.98 61.57 1qni s VAL 105 Cb 0.07 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 1qni s VAL 105 CO -0.05 0.16 -0.19 0.00 0.00 0.00 0.00 175.10 175.02 1qni s ALA 106 N -0.46 2.09 -0.07 5.51 0.00 0.39 -0.91 121.76 128.32 1qni s ALA 106 Ca 0.03 -1.53 0.03 0.00 0.00 0.00 0.00 51.96 50.50 1qni s ALA 106 Cb -0.05 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.87 1qni s ALA 106 CO 0.00 0.25 -0.17 0.50 0.00 0.00 0.00 175.76 176.34 1qni s ARG 107 N -2.86 2.09 -0.07 0.00 3.52 0.16 -1.70 118.95 120.10 1qni s ARG 107 Ca 0.17 -0.61 0.01 0.00 -0.13 0.00 0.00 55.73 55.17 1qni s ARG 107 Cb -0.06 -1.70 -0.03 0.00 -1.56 0.00 0.00 34.95 31.60 1qni s ARG 107 CO 0.07 0.15 -0.09 0.42 -0.81 0.00 0.00 175.30 175.04 1qni s ILE 108 N 0.35 3.54 -0.39 4.11 1.01 0.12 0.13 121.20 130.07 1qni s ILE 108 Ca -0.12 -0.54 -0.23 0.00 0.00 0.00 0.00 60.65 59.76 1qni s ILE 108 Cb -0.15 -2.44 0.02 0.00 0.01 0.00 0.00 42.46 39.89 1qni s ILE 108 CO 0.05 0.59 0.80 -0.13 0.00 0.00 0.00 174.94 176.25 1qni s ARG 109 N -0.70 3.65 0.29 2.79 0.52 0.88 -2.19 118.95 124.19 1qni s ARG 109 Ca 0.11 0.20 0.26 0.00 -0.52 0.00 0.00 55.73 55.77 1qni s ARG 109 Cb -0.11 -3.85 0.95 0.00 0.52 0.00 0.00 34.95 32.46 1qni s ARG 109 CO 0.01 -0.96 1.76 -0.07 0.02 0.00 0.00 175.30 176.07 1qni h LEU 110 N 9.93 0.00 -0.85 2.53 3.38 -1.72 0.37 115.31 128.96 1qni h LEU 110 Ca -0.25 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.61 1qni h LEU 110 Cb 1.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1qni h LEU 110 CO 0.94 0.00 -0.54 -2.24 0.09 0.00 0.00 178.44 176.69 1qni h ASP 111 N 0.00 0.00 0.00 -0.43 2.03 -1.80 -3.30 116.42 112.92 1qni h ASP 111 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1qni h ASP 111 Cb 0.52 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.02 1qni h ASP 111 CO 0.00 0.54 0.00 2.30 -1.03 0.00 0.00 179.24 181.05 1qni n ILE 112 N -3.75 0.00 -3.43 4.15 -5.35 -1.17 -1.40 119.36 108.41 1qni n ILE 112 Ca -0.01 -0.40 -0.17 0.00 -0.27 0.00 0.00 62.75 61.89 1qni n ILE 112 Cb 0.57 1.16 0.08 0.00 -1.74 0.00 0.00 39.64 39.71 1qni n ILE 112 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 1qni n MET 113 N -0.12 -5.24 -4.11 6.28 2.81 0.13 -5.03 117.12 111.84 1qni n MET 113 Ca 0.00 0.81 -0.14 0.00 -1.81 0.00 0.00 57.70 56.56 1qni n MET 113 Cb 0.04 -5.72 -0.13 0.00 -0.71 0.00 0.00 33.22 26.70 1qni n MET 113 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1qni s LYS 114 N -5.23 0.45 0.22 0.03 -0.14 -0.97 -4.79 119.74 109.32 1qni s LYS 114 Ca 0.12 -0.42 -0.31 0.00 -1.36 0.00 0.00 55.97 54.00 1qni s LYS 114 Cb -0.02 -0.35 -0.12 0.00 -1.68 0.00 0.00 37.83 35.67 1qni s LYS 114 CO 0.75 0.08 1.68 0.99 -0.76 0.00 0.00 175.35 178.09 1qni s THR 115 N -0.64 2.08 -0.18 2.17 2.01 -1.26 -0.09 115.64 119.73 1qni s THR 115 Ca -0.03 0.06 -0.02 0.00 0.31 0.00 0.00 61.69 62.01 1qni s THR 115 Cb -0.05 -3.04 -0.11 0.00 0.01 0.00 0.00 72.50 69.31 1qni s THR 115 CO 0.00 0.01 -0.18 -0.67 -0.69 0.00 0.00 174.62 173.08 1qni n ASP 116 N 3.56 2.24 -4.02 3.53 2.03 0.34 -4.82 116.55 119.41 1qni n ASP 116 Ca 0.14 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.35 1qni n ASP 116 Cb 0.36 -0.36 -0.11 0.00 -0.72 0.00 0.00 41.12 40.28 1qni n ASP 116 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1qni s LYS 117 N -2.35 0.42 -0.05 -0.67 -0.14 -0.96 -4.95 119.74 111.02 1qni s LYS 117 Ca -0.25 -0.71 -0.02 0.00 -1.36 0.00 0.00 55.97 53.63 1qni s LYS 117 Cb 0.07 -0.05 0.03 0.00 -1.68 0.00 0.00 37.83 36.21 1qni s LYS 117 CO 0.39 -0.01 0.09 0.42 -0.76 0.00 0.00 175.35 175.47 1qni s ILE 118 N -1.59 -0.15 -0.07 2.17 1.01 -1.25 -0.66 121.20 120.67 1qni s ILE 118 Ca -0.12 0.39 0.05 0.00 0.00 0.00 0.00 60.65 60.97 1qni s ILE 118 Cb -0.09 -0.19 -0.01 0.00 0.01 0.00 0.00 42.46 42.18 1qni s ILE 118 CO -0.01 0.16 -0.23 -0.89 0.00 0.00 0.00 174.94 173.97 1qni s THR 119 N 2.11 2.18 -0.29 2.92 2.01 -0.09 -4.86 115.64 119.63 1qni s THR 119 Ca 0.03 -1.01 -0.20 0.00 0.31 0.00 0.00 61.69 60.82 1qni s THR 119 Cb -0.12 -1.81 -0.01 0.00 0.01 0.00 0.00 72.50 70.57 1qni s THR 119 CO -0.04 0.57 0.60 -1.00 -0.69 0.00 0.00 174.62 174.06 1qni s HIS 120 N -0.10 3.24 -0.20 4.92 3.76 -1.26 -1.43 115.29 124.21 1qni s HIS 120 Ca -0.05 0.63 -0.29 0.00 -0.15 0.00 0.00 55.06 55.20 1qni s HIS 120 Cb -0.14 -2.90 0.00 0.00 1.11 0.00 0.00 32.58 30.65 1qni s HIS 120 CO 0.04 -0.41 1.01 0.42 -0.85 0.00 0.00 174.74 174.96 1qni s ILE 121 N 2.52 4.72 0.65 0.60 -1.09 -1.09 -5.01 121.20 122.49 1qni s ILE 121 Ca 0.24 1.99 -0.12 0.00 -2.23 0.00 0.00 60.65 60.54 1qni s ILE 121 Cb -0.15 -4.29 -0.02 0.00 -1.58 0.00 0.00 42.46 36.42 1qni s ILE 121 CO 0.11 -0.13 1.05 -2.16 -1.23 0.00 0.00 174.94 172.58 1qni s PRO 122 N 2.88 3.25 -1.60 2.79 0.04 -1.26 -4.29 135.00 136.80 1qni s PRO 122 Ca 0.44 0.94 -0.19 0.00 0.04 0.00 0.00 61.00 62.23 1qni s PRO 122 Cb -0.16 -2.03 0.19 0.00 0.04 0.00 0.00 34.50 32.54 1qni s PRO 122 CO 0.09 -0.85 0.56 0.09 0.04 0.00 0.00 177.00 176.93 1qni n ASN 123 N -2.74 -2.16 -3.88 6.66 3.02 -1.26 -4.90 115.26 110.00 1qni n ASN 123 Ca 0.07 -0.95 -0.09 0.00 -0.03 0.00 0.00 54.58 53.58 1qni n ASN 123 Cb 0.54 -1.86 -0.06 0.00 -0.61 0.00 0.00 39.78 37.79 1qni n ASN 123 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1qni s VAL 124 N -3.09 0.05 -0.04 2.41 0.11 -1.26 -4.84 120.40 113.73 1qni s VAL 124 Ca 0.70 -1.16 -0.02 0.00 -2.93 0.00 0.00 61.98 58.56 1qni s VAL 124 Cb -0.40 -1.77 0.02 0.00 -1.53 0.00 0.00 36.38 32.70 1qni s VAL 124 CO 0.86 -0.21 0.09 -1.10 -3.33 0.00 0.00 175.10 171.41 1qni s GLN 125 N -3.94 0.08 -0.22 1.54 -0.21 -1.26 -4.97 119.66 110.67 1qni s GLN 125 Ca 0.15 0.20 -0.04 0.00 0.02 0.00 0.00 55.36 55.69 1qni s GLN 125 Cb 0.01 -0.06 0.00 0.00 1.00 0.00 0.00 33.01 33.97 1qni s GLN 125 CO -0.00 -0.08 0.13 0.00 -2.12 0.00 0.00 175.29 173.22 1qni n ALA 126 N 3.53 -3.21 -2.49 6.09 0.00 -1.26 -2.66 120.51 120.52 1qni n ALA 126 Ca -0.19 0.47 -0.43 0.00 0.00 0.00 0.00 53.44 53.30 1qni n ALA 126 Cb 0.56 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.72 1qni n ALA 126 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1qni s ILE 127 N -1.39 4.34 0.00 0.00 -1.09 -1.23 -0.44 121.20 121.39 1qni s ILE 127 Ca 0.06 1.59 0.00 0.00 -2.23 0.00 0.00 60.65 60.07 1qni s ILE 127 Cb -0.02 -4.13 0.00 0.00 -1.58 0.00 0.00 42.46 36.73 1qni s ILE 127 CO 0.50 -0.26 0.00 1.57 -1.23 0.00 0.00 174.94 175.52 1qni n HIS 128 N 6.84 0.00 -1.91 3.97 -0.00 0.24 -2.28 115.22 122.08 1qni n HIS 128 Ca 0.14 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.90 1qni n HIS 128 Cb 0.46 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.30 1qni n HIS 128 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1qni s GLY 129 N -1.46 1.99 -0.16 1.57 0.00 -0.70 -4.68 107.32 103.89 1qni s GLY 129 Ca 0.00 1.42 -0.10 0.00 0.00 0.00 0.00 44.72 46.04 1qni s GLY 129 CO 0.00 2.49 0.39 -2.27 0.00 0.00 0.00 173.10 173.71 1qni s LEU 130 N 0.09 0.13 0.18 0.66 0.20 -1.26 0.11 118.68 118.79 1qni s LEU 130 Ca 0.64 0.83 -0.19 0.00 0.69 0.00 0.00 54.13 56.11 1qni s LEU 130 Cb -0.44 1.30 0.04 0.00 -0.43 0.00 0.00 46.19 46.65 1qni s LEU 130 CO 0.41 -0.17 0.53 -0.13 -0.29 0.00 0.00 176.35 176.70 1qni s ARG 131 N 1.02 1.33 0.26 1.98 0.52 -0.82 -4.88 118.95 118.37 1qni s ARG 131 Ca -0.07 -0.75 0.07 0.00 -0.52 0.00 0.00 55.73 54.46 1qni s ARG 131 Cb -0.07 0.53 -0.03 0.00 0.52 0.00 0.00 34.95 35.90 1qni s ARG 131 CO -0.08 -0.57 0.21 -0.51 0.02 0.00 0.00 175.30 174.37 1qni s LEU 132 N -2.84 3.79 0.33 2.53 1.43 -1.26 -0.86 118.68 121.80 1qni s LEU 132 Ca 0.06 -0.28 -0.28 0.00 -1.03 0.00 0.00 54.13 52.61 1qni s LEU 132 Cb -0.01 -2.33 -0.09 0.00 0.03 0.00 0.00 46.19 43.79 1qni s LEU 132 CO -0.06 -0.07 1.13 -1.58 0.23 0.00 0.00 176.35 176.00 1qni s GLN 133 N -3.86 4.41 -0.18 1.70 0.74 -0.94 -4.50 119.66 117.03 1qni s GLN 133 Ca 0.34 1.82 0.08 0.00 0.05 0.00 0.00 55.36 57.65 1qni s GLN 133 Cb -0.08 -2.97 -0.17 0.00 1.10 0.00 0.00 33.01 30.89 1qni s GLN 133 CO 0.25 -0.00 -0.06 1.63 -0.55 0.00 0.00 175.29 176.56 1qni n LYS 134 N 0.72 0.98 -4.42 1.67 5.02 -1.26 -3.62 118.16 117.24 1qni n LYS 134 Ca 0.01 0.05 -0.19 0.00 -2.02 0.00 0.00 58.31 56.16 1qni n LYS 134 Cb 0.45 -1.41 -0.15 0.00 -0.02 0.00 0.00 35.03 33.90 1qni n LYS 134 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1qni s VAL 135 N -2.40 0.80 0.32 -0.18 1.01 -1.26 -1.28 120.40 117.40 1qni s VAL 135 Ca -0.17 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.43 1qni s VAL 135 Cb 0.06 -0.67 0.08 0.00 0.00 0.00 0.00 36.38 35.85 1qni s VAL 135 CO 0.57 0.22 1.77 -0.65 0.00 0.00 0.00 175.10 177.01 1qni h PRO 136 N 5.87 0.30 0.00 2.72 0.11 -1.95 -3.09 132.00 135.96 1qni h PRO 136 Ca -0.31 -0.11 -0.07 0.00 0.11 0.00 0.00 66.00 65.61 1qni h PRO 136 Cb 1.18 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1qni h PRO 136 CO 0.49 0.57 0.14 0.36 -0.21 0.00 0.00 178.00 179.35 1qni n LYS 137 N -4.12 0.84 -2.63 1.05 2.85 -1.25 0.83 118.16 115.73 1qni n LYS 137 Ca -0.01 -1.91 -0.42 0.00 -1.05 0.00 0.00 58.31 54.92 1qni n LYS 137 Cb 0.40 2.23 -0.03 0.00 -0.65 0.00 0.00 35.03 36.98 1qni n LYS 137 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1qni s THR 138 N -2.39 4.02 -0.18 0.58 2.01 -0.20 -4.36 115.64 115.12 1qni s THR 138 Ca 0.15 -0.55 0.16 0.00 0.31 0.00 0.00 61.69 61.76 1qni s THR 138 Cb -0.03 -4.96 -0.22 0.00 0.01 0.00 0.00 72.50 67.30 1qni s THR 138 CO 0.11 -1.82 0.06 0.59 -0.69 0.00 0.00 174.62 172.87 1qni n ASN 139 N 8.59 0.59 -4.47 3.53 5.03 -1.26 -4.66 115.26 122.61 1qni n ASN 139 Ca 0.21 -0.00 -0.32 0.00 0.87 0.00 0.00 54.58 55.34 1qni n ASN 139 Cb 0.50 0.93 -0.13 0.00 -1.02 0.00 0.00 39.78 40.06 1qni n ASN 139 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1qni s TYR 140 N -2.43 2.65 -0.20 3.10 2.02 -1.26 -0.57 117.35 120.66 1qni s TYR 140 Ca -0.09 -0.19 -0.04 0.00 -0.37 0.00 0.00 57.07 56.38 1qni s TYR 140 Cb 0.05 -1.58 -0.01 0.00 -0.40 0.00 0.00 41.96 40.01 1qni s TYR 140 CO 0.73 0.19 -0.04 0.08 -1.57 0.00 0.00 175.55 174.94 1qni s VAL 141 N -0.77 3.50 -0.22 0.71 1.01 0.57 -2.22 120.40 122.98 1qni s VAL 141 Ca 0.12 -0.46 -0.10 0.00 0.00 0.00 0.00 61.98 61.54 1qni s VAL 141 Cb -0.11 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 1qni s VAL 141 CO 0.02 0.44 0.14 -0.36 0.00 0.00 0.00 175.10 175.34 1qni s PHE 142 N 1.16 3.33 0.01 5.22 0.08 -0.04 -0.52 117.98 127.22 1qni s PHE 142 Ca 0.02 0.23 0.06 0.00 0.12 0.00 0.00 56.93 57.36 1qni s PHE 142 Cb -0.14 -2.22 -0.02 0.00 -0.57 0.00 0.00 43.02 40.07 1qni s PHE 142 CO -0.01 0.13 -0.18 0.00 -0.10 0.00 0.00 175.22 175.07 1qni s ASN 144 N -0.66 5.02 -0.25 0.00 0.02 0.12 -1.19 114.94 117.98 1qni s ASN 144 Ca 0.06 0.02 -0.08 0.00 -1.02 0.00 0.00 52.86 51.84 1qni s ASN 144 Cb -0.07 -1.56 -0.03 0.00 0.02 0.00 0.00 41.25 39.60 1qni s ASN 144 CO 0.00 0.29 0.10 0.00 0.02 0.00 0.00 177.10 177.51 1qni s ALA 145 N -0.36 3.27 0.11 0.60 0.00 -1.22 -0.59 121.76 123.56 1qni s ALA 145 Ca 0.06 -1.10 -0.08 0.00 0.00 0.00 0.00 51.96 50.84 1qni s ALA 145 Cb -0.12 -2.17 -0.15 0.00 0.00 0.00 0.00 23.12 20.67 1qni s ALA 145 CO 0.02 -0.47 1.26 1.49 0.00 0.00 0.00 175.76 178.06 1qni h GLU 146 N 8.20 0.53 -5.41 0.00 4.81 -0.64 -3.30 114.58 118.76 1qni h GLU 146 Ca -0.37 -0.57 -0.63 0.00 -0.13 0.00 0.00 59.36 57.66 1qni h GLU 146 Cb 1.18 0.16 -0.11 0.00 0.63 0.00 0.00 28.75 30.61 1qni h GLU 146 CO 0.58 1.20 -0.50 -0.06 -0.73 0.00 0.00 179.01 179.50 1qni s PHE 147 N -3.28 3.45 0.34 0.92 0.08 -1.09 -4.28 117.98 114.12 1qni s PHE 147 Ca -0.07 0.37 -0.26 0.00 0.12 0.00 0.00 56.93 57.09 1qni s PHE 147 Cb 0.08 -2.07 -0.10 0.00 -0.57 0.00 0.00 43.02 40.36 1qni s PHE 147 CO 0.89 0.43 0.97 0.14 -0.10 0.00 0.00 175.22 177.55 1qni s VAL 148 N -0.13 4.11 0.14 -0.44 -7.23 -1.26 -4.24 120.40 111.34 1qni s VAL 148 Ca 0.10 1.71 -0.11 0.00 -1.81 0.00 0.00 61.98 61.87 1qni s VAL 148 Cb -0.11 -3.94 0.01 0.00 0.56 0.00 0.00 36.38 32.90 1qni s VAL 148 CO 0.00 0.11 0.31 0.27 -0.31 0.00 0.00 175.10 175.48 1qni s ILE 149 N -1.63 0.09 0.82 -0.62 -4.36 -0.25 -4.74 121.20 110.50 1qni s ILE 149 Ca 0.52 -1.09 -0.12 0.00 -0.26 0.00 0.00 60.65 59.70 1qni s ILE 149 Cb -0.19 -1.52 0.09 0.00 1.25 0.00 0.00 42.46 42.08 1qni s ILE 149 CO 0.25 -0.39 1.14 -2.16 0.24 0.00 0.00 174.94 174.02 1qni s PRO 150 N -3.89 1.74 -0.26 0.37 0.04 -1.26 -0.15 135.00 131.58 1qni s PRO 150 Ca 0.10 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.62 1qni s PRO 150 Cb 0.03 -1.81 0.08 0.00 0.04 0.00 0.00 34.50 32.83 1qni s PRO 150 CO -0.06 -2.08 0.01 -0.65 0.04 0.00 0.00 177.00 174.26 1qni s GLN 151 N -4.51 1.24 0.63 4.56 -0.21 -1.25 -2.45 119.66 117.66 1qni s GLN 151 Ca 0.67 -1.07 -0.11 0.00 0.02 0.00 0.00 55.36 54.87 1qni s GLN 151 Cb -0.22 -2.46 -0.03 0.00 1.00 0.00 0.00 33.01 31.30 1qni s GLN 151 CO 0.53 -0.76 1.03 -1.25 -2.12 0.00 0.00 175.29 172.73 1qni s PRO 152 N 1.44 3.42 -1.36 2.91 0.04 -1.26 -5.03 135.00 135.16 1qni s PRO 152 Ca 0.01 0.65 -0.08 0.00 0.04 0.00 0.00 61.00 61.62 1qni s PRO 152 Cb -0.18 -2.08 0.10 0.00 0.04 0.00 0.00 34.50 32.38 1qni s PRO 152 CO -0.12 -0.66 2.25 -1.71 0.04 0.00 0.00 177.00 176.80 1qni n ASN 153 N -2.78 6.53 -1.06 6.66 5.15 -1.03 -4.62 115.26 124.12 1qni n ASN 153 Ca 0.06 -3.02 0.12 0.00 -0.60 0.00 0.00 54.58 51.13 1qni n ASN 153 Cb 0.55 -1.46 0.24 0.00 -0.53 0.00 0.00 39.78 38.57 1qni n ASN 153 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1qni n ASP 154 N 3.27 3.16 -0.02 1.20 5.68 -1.26 -4.97 116.55 123.62 1qni n ASP 154 Ca 0.55 -1.95 -0.00 0.00 -0.50 0.00 0.00 54.79 52.88 1qni n ASP 154 Cb 0.30 -0.22 -0.00 0.00 -1.14 0.00 0.00 41.12 40.07 1qni n ASP 154 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qni n GLY 155 N 1.44 0.44 0.19 6.12 0.00 -1.26 -4.91 105.19 107.22 1qni n GLY 155 Ca 0.19 -0.72 0.11 0.00 0.00 0.00 0.00 46.02 45.60 1qni n GLY 155 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qni n THR 156 N -2.99 0.00 -3.15 2.61 -2.24 -1.26 -4.79 114.28 102.46 1qni n THR 156 Ca -0.00 -0.10 0.04 0.00 -2.27 0.00 0.00 64.05 61.71 1qni n THR 156 Cb 0.01 0.84 -0.00 0.00 -2.10 0.00 0.00 70.33 69.08 1qni n THR 156 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qni s ASP 157 N -2.76 -1.56 0.06 3.42 -1.08 -1.26 -5.03 116.67 108.46 1qni s ASP 157 Ca 0.14 0.06 0.27 0.00 -0.52 0.00 0.00 52.55 52.51 1qni s ASP 157 Cb 0.17 1.98 0.93 0.00 -1.46 0.00 0.00 42.92 44.55 1qni s ASP 157 CO 0.69 -0.27 1.75 0.49 0.52 0.00 0.00 175.17 178.35 1qni n PHE 158 N 5.27 0.29 -1.60 -5.34 3.72 -1.26 -4.71 117.46 113.82 1qni n PHE 158 Ca 0.06 0.08 -0.47 0.00 -0.05 0.00 0.00 57.45 57.07 1qni n PHE 158 Cb 0.55 -0.59 -0.03 0.00 -0.94 0.00 0.00 39.48 38.47 1qni n PHE 158 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1qni n SER 159 N -1.75 1.60 0.28 4.37 3.41 -1.26 -4.87 113.62 115.40 1qni n SER 159 Ca 0.06 1.15 0.17 0.00 -0.26 0.00 0.00 58.87 59.99 1qni n SER 159 Cb 0.37 -1.27 0.71 0.00 -0.26 0.00 0.00 64.21 63.77 1qni n SER 159 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1qni h LEU 160 N 3.30 0.00 -1.07 1.04 3.38 -1.92 -2.88 115.31 117.16 1qni h LEU 160 Ca -0.43 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 1qni h LEU 160 Cb 1.33 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.04 1qni h LEU 160 CO 0.70 0.02 0.52 0.44 0.09 0.00 0.00 178.44 180.20 1qni h ASP 161 N 0.00 1.02 -0.52 -0.43 5.19 -1.89 -2.30 116.42 117.48 1qni h ASP 161 Ca -0.00 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 1qni h ASP 161 Cb 0.48 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.74 1qni h ASP 161 CO 0.00 0.78 0.00 0.59 -3.12 0.00 0.00 179.24 177.49 1qni n ASN 162 N -4.37 5.12 -4.72 6.45 3.02 -1.09 -4.93 115.26 114.73 1qni n ASN 162 Ca 0.09 -2.84 -0.36 0.00 -0.03 0.00 0.00 54.58 51.45 1qni n ASN 162 Cb 0.06 -0.63 -0.08 0.00 -0.61 0.00 0.00 39.78 38.53 1qni n ASN 162 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1qni s SER 163 N -1.06 6.28 0.28 6.41 0.01 -0.87 -3.96 113.70 120.80 1qni s SER 163 Ca 0.51 0.32 0.02 0.00 1.31 0.00 0.00 55.95 58.11 1qni s SER 163 Cb 0.38 -2.12 -0.04 0.00 0.21 0.00 0.00 66.02 64.44 1qni s SER 163 CO 0.16 0.14 0.15 -0.31 0.41 0.00 0.00 173.24 173.79 1qni s TYR 164 N 0.47 1.51 0.33 2.43 1.51 0.79 -4.57 117.35 119.83 1qni s TYR 164 Ca 0.11 -1.36 0.03 0.00 -1.01 0.00 0.00 57.07 54.84 1qni s TYR 164 Cb -0.12 -0.80 -0.04 0.00 -0.11 0.00 0.00 41.96 40.89 1qni s TYR 164 CO 0.01 -0.53 0.11 -0.08 -1.11 0.00 0.00 175.55 173.94 1qni s THR 165 N -3.73 0.68 0.06 -0.71 -1.32 -1.26 -1.09 115.64 108.26 1qni s THR 165 Ca 0.37 -2.00 -0.02 0.00 -1.21 0.00 0.00 61.69 58.83 1qni s THR 165 Cb 0.06 -2.56 -0.04 0.00 -1.51 0.00 0.00 72.50 68.45 1qni s THR 165 CO 0.16 0.00 -0.01 -0.04 -2.21 0.00 0.00 174.62 172.52 1qni s MET 166 N -3.85 0.64 -0.21 7.08 1.00 -1.26 -3.04 119.30 119.66 1qni s MET 166 Ca 0.33 -1.20 -0.11 0.00 0.00 0.00 0.00 55.69 54.71 1qni s MET 166 Cb 0.06 0.22 -0.05 0.00 0.00 0.00 0.00 34.83 35.06 1qni s MET 166 CO 0.15 -0.13 0.15 0.12 0.00 0.00 0.00 175.02 175.32 1qni s PHE 167 N -3.92 3.39 -0.07 -0.03 5.36 0.15 -3.46 117.98 119.41 1qni s PHE 167 Ca 0.07 0.33 0.05 0.00 -0.96 0.00 0.00 56.93 56.42 1qni s PHE 167 Cb 0.08 -2.20 -0.01 0.00 -0.34 0.00 0.00 43.02 40.54 1qni s PHE 167 CO -0.10 0.23 -0.21 0.99 -1.46 0.00 0.00 175.22 174.67 1qni s THR 168 N 0.54 2.38 -0.18 0.12 2.01 -0.34 0.05 115.64 120.23 1qni s THR 168 Ca 0.09 -0.94 -0.03 0.00 0.31 0.00 0.00 61.69 61.12 1qni s THR 168 Cb -0.12 -1.90 -0.01 0.00 0.01 0.00 0.00 72.50 70.48 1qni s THR 168 CO 0.00 0.57 -0.07 0.00 -0.69 0.00 0.00 174.62 174.42 1qni s ALA 169 N -0.17 2.79 -0.07 7.40 0.00 -0.28 -0.35 121.76 131.07 1qni s ALA 169 Ca -0.02 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 50.95 1qni s ALA 169 Cb -0.14 -1.50 -0.03 0.00 0.00 0.00 0.00 23.12 21.45 1qni s ALA 169 CO 0.04 -0.07 -0.10 0.42 0.00 0.00 0.00 175.76 176.05 1qni s ILE 170 N 0.86 3.44 -0.17 0.00 1.01 0.32 -0.22 121.20 126.44 1qni s ILE 170 Ca -0.02 -0.57 -0.29 0.00 0.00 0.00 0.00 60.65 59.76 1qni s ILE 170 Cb -0.15 -2.39 -0.02 0.00 0.01 0.00 0.00 42.46 39.91 1qni s ILE 170 CO 0.01 0.59 1.44 -0.62 0.00 0.00 0.00 174.94 176.36 1qni s ASP 171 N -0.70 6.70 0.24 3.58 2.15 -0.37 -0.32 116.67 127.96 1qni s ASP 171 Ca 0.11 1.72 -0.05 0.00 0.43 0.00 0.00 52.55 54.76 1qni s ASP 171 Cb -0.11 -2.54 0.38 0.00 -0.30 0.00 0.00 42.92 40.35 1qni s ASP 171 CO 0.01 -0.97 1.81 0.00 -0.17 0.00 0.00 175.17 175.85 1qni h ALA 172 N 9.29 1.15 0.00 3.66 0.00 -1.10 0.64 119.26 132.89 1qni h ALA 172 Ca -0.31 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1qni h ALA 172 Cb 1.13 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1qni h ALA 172 CO 0.98 0.09 -0.41 0.93 0.00 0.00 0.00 179.25 180.84 1qni h GLU 173 N 0.78 0.00 0.00 0.00 4.39 -1.85 -3.34 114.58 114.56 1qni h GLU 173 Ca 0.39 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.99 1qni h GLU 173 Cb 0.34 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1qni h GLU 173 CO -0.24 0.41 -1.79 2.41 -1.16 0.00 0.00 179.01 178.64 1qni n THR 174 N -3.22 0.38 -1.60 1.13 -1.04 -1.13 -4.99 114.28 103.81 1qni n THR 174 Ca 0.02 -0.44 -0.14 0.00 -2.04 0.00 0.00 64.05 61.45 1qni n THR 174 Cb 0.69 -0.16 -0.05 0.00 -1.82 0.00 0.00 70.33 68.99 1qni n THR 174 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 1qni n MET 175 N -2.22 -1.01 -3.99 -2.82 2.81 0.22 -5.00 117.12 105.12 1qni n MET 175 Ca -0.11 0.92 -0.35 0.00 -1.81 0.00 0.00 57.70 56.36 1qni n MET 175 Cb 0.62 -5.06 -0.06 0.00 -0.71 0.00 0.00 33.22 28.00 1qni n MET 175 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1qni s ASP 176 N -2.74 6.12 0.23 7.83 1.01 -1.25 -4.75 116.67 123.12 1qni s ASP 176 Ca 0.00 0.34 -0.31 0.00 0.71 0.00 0.00 52.55 53.29 1qni s ASP 176 Cb 0.00 -1.90 -0.11 0.00 1.01 0.00 0.00 42.92 41.92 1qni s ASP 176 CO 0.00 0.34 1.61 -0.69 0.21 0.00 0.00 175.17 176.64 1qni s VAL 177 N -1.13 2.26 -0.19 -1.27 1.01 -1.26 -1.24 120.40 118.58 1qni s VAL 177 Ca 0.20 0.20 -0.15 0.00 0.00 0.00 0.00 61.98 62.23 1qni s VAL 177 Cb -0.12 -3.13 -0.20 0.00 0.00 0.00 0.00 36.38 32.93 1qni s VAL 177 CO 0.10 0.02 0.17 0.00 0.00 0.00 0.00 175.10 175.39 1qni n ALA 178 N 3.16 0.90 -3.61 5.51 0.00 0.70 -4.82 120.51 122.35 1qni n ALA 178 Ca 0.12 -0.63 -0.05 0.00 0.00 0.00 0.00 53.44 52.88 1qni n ALA 178 Cb 0.37 -0.49 -0.02 0.00 0.00 0.00 0.00 19.45 19.32 1qni n ALA 178 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 1qni s TRP 179 N -2.45 -0.19 0.04 0.00 1.48 -1.10 -4.27 118.94 112.45 1qni s TRP 179 Ca -0.28 0.03 0.04 0.00 -1.06 0.00 0.00 56.10 54.82 1qni s TRP 179 Cb 0.07 0.57 -0.02 0.00 -1.16 0.00 0.00 33.47 32.93 1qni s TRP 179 CO 0.64 -0.52 -0.12 -0.65 -4.06 0.00 0.00 176.95 172.24 1qni s GLN 180 N -2.93 0.75 -0.21 3.25 -0.21 -0.05 -1.13 119.66 119.13 1qni s GLN 180 Ca 0.09 -0.75 0.02 0.00 0.02 0.00 0.00 55.36 54.74 1qni s GLN 180 Cb -0.00 -0.69 0.04 0.00 1.00 0.00 0.00 33.01 33.36 1qni s GLN 180 CO -0.04 0.16 -0.14 0.08 -2.12 0.00 0.00 175.29 173.24 1qni s VAL 181 N -1.02 1.95 0.23 1.09 1.01 0.11 -1.44 120.40 122.33 1qni s VAL 181 Ca -0.02 -1.20 -0.30 0.00 0.00 0.00 0.00 61.98 60.46 1qni s VAL 181 Cb -0.08 -1.95 -0.09 0.00 0.00 0.00 0.00 36.38 34.26 1qni s VAL 181 CO 0.01 0.22 1.20 -0.63 0.00 0.00 0.00 175.10 175.90 1qni s ILE 182 N 1.26 3.37 0.39 2.22 1.01 -0.33 -0.67 121.20 128.45 1qni s ILE 182 Ca -0.02 1.24 0.04 0.00 0.00 0.00 0.00 60.65 61.91 1qni s ILE 182 Cb -0.16 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 1qni s ILE 182 CO -0.09 0.24 0.15 0.68 0.00 0.00 0.00 174.94 175.92 1qni s VAL 183 N -0.50 0.49 0.47 2.92 -7.23 -1.17 0.49 120.40 115.86 1qni s VAL 183 Ca 0.50 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.70 1qni s VAL 183 Cb -0.34 -2.39 0.01 0.00 0.56 0.00 0.00 36.38 34.22 1qni s VAL 183 CO 0.40 0.00 0.66 -1.81 -0.31 0.00 0.00 175.10 174.05 1qni s ASP 184 N -3.55 5.61 0.75 4.85 1.01 -1.26 -4.47 116.67 119.61 1qni s ASP 184 Ca 0.28 -0.03 0.00 0.00 0.71 0.00 0.00 52.55 53.51 1qni s ASP 184 Cb 0.03 -1.08 0.00 0.00 1.01 0.00 0.00 42.92 42.88 1qni s ASP 184 CO 0.17 -0.84 0.00 0.61 0.21 0.00 0.00 175.17 175.32 1qni n GLY 185 N -2.07 2.48 0.00 0.21 0.00 -1.26 -4.85 105.19 99.69 1qni n GLY 185 Ca 0.05 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1qni n GLY 185 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qni n ASN 186 N 0.05 0.52 -3.94 1.61 2.04 -1.21 -4.48 115.26 109.84 1qni n ASN 186 Ca 0.00 -0.70 -0.20 0.00 -0.44 0.00 0.00 54.58 53.24 1qni n ASN 186 Cb 0.00 0.00 -0.16 0.00 -2.53 0.00 0.00 39.78 37.09 1qni n ASN 186 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1qni s LEU 187 N 0.00 1.58 0.00 -4.53 1.43 -1.24 -4.49 118.68 111.43 1qni s LEU 187 Ca 0.00 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1qni s LEU 187 Cb 0.00 -0.48 0.00 0.00 0.03 0.00 0.00 46.19 45.74 1qni s LEU 187 CO 0.00 0.00 0.00 -0.67 0.23 0.00 0.00 176.35 175.91 1qni n ASP 188 N 3.65 0.00 -4.86 2.29 -0.08 -0.29 -3.81 116.55 113.45 1qni n ASP 188 Ca -0.22 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 52.85 1qni n ASP 188 Cb 0.53 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.95 1qni n ASP 188 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 1qni s ASN 189 N -0.14 5.13 0.12 1.67 -0.87 -1.25 -1.72 114.94 117.87 1qni s ASN 189 Ca 0.00 -0.64 -0.10 0.00 -1.57 0.00 0.00 52.86 50.55 1qni s ASN 189 Cb 0.00 -0.76 0.00 0.00 -0.02 0.00 0.00 41.25 40.48 1qni s ASN 189 CO 0.00 -0.50 0.26 0.28 -2.57 0.00 0.00 177.10 174.57 1qni s THR 190 N -2.40 0.11 0.20 1.60 -1.32 -1.26 -1.27 115.64 111.30 1qni s THR 190 Ca 0.44 -1.12 -0.22 0.00 -1.21 0.00 0.00 61.69 59.58 1qni s THR 190 Cb -0.04 -1.44 0.05 0.00 -1.51 0.00 0.00 72.50 69.56 1qni s THR 190 CO 0.27 -0.49 0.64 -0.62 -2.21 0.00 0.00 174.62 172.20 1qni s ASP 191 N -2.88 -0.46 0.39 8.08 -1.08 -0.24 -4.55 116.67 115.93 1qni s ASP 191 Ca 0.08 -0.21 0.08 0.00 -0.52 0.00 0.00 52.55 51.97 1qni s ASP 191 Cb 0.04 0.64 -0.08 0.00 -1.46 0.00 0.00 42.92 42.06 1qni s ASP 191 CO -0.08 -1.10 -0.01 0.00 0.52 0.00 0.00 175.17 174.50 1qni s ALA 192 N -3.81 3.13 0.39 3.66 0.00 -1.26 -0.27 121.76 123.60 1qni s ALA 192 Ca 0.04 -2.26 0.00 0.00 0.00 0.00 0.00 51.96 49.75 1qni s ALA 192 Cb -0.03 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.20 1qni s ALA 192 CO -0.06 -0.07 0.00 -0.40 0.00 0.00 0.00 175.76 175.22 1qni n ASP 193 N -0.93 0.00 -2.15 0.00 5.75 -0.93 -4.76 116.55 113.53 1qni n ASP 193 Ca -0.05 -0.66 -0.29 0.00 -0.01 0.00 0.00 54.79 53.79 1qni n ASP 193 Cb 0.66 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.80 1qni n ASP 193 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1qni n TYR 194 N -0.92 2.95 0.00 2.11 4.02 -1.26 -4.25 117.16 119.82 1qni n TYR 194 Ca 0.00 -2.56 0.00 0.00 -0.01 0.00 0.00 57.90 55.33 1qni n TYR 194 Cb 0.00 -0.80 0.00 0.00 -0.02 0.00 0.00 39.34 38.52 1qni n TYR 194 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1qni n THR 195 N -0.80 0.00 0.00 -0.72 -2.24 -1.26 -4.78 114.28 104.49 1qni n THR 195 Ca 0.52 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.30 1qni n THR 195 Cb 0.84 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 1qni n THR 195 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qni n GLY 196 N 1.29 0.37 0.13 3.38 0.00 -1.17 -4.34 105.19 104.85 1qni n GLY 196 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1qni n GLY 196 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1qni h LYS 197 N 3.28 0.39 -6.62 1.61 3.64 -1.93 -3.43 116.57 113.51 1qni h LYS 197 Ca 0.00 -0.66 -0.66 0.00 -1.27 0.00 0.00 60.65 58.06 1qni h LYS 197 Cb 0.00 0.25 -0.17 0.00 -0.41 0.00 0.00 32.23 31.89 1qni h LYS 197 CO 0.00 1.31 -0.78 0.71 -2.27 0.00 0.00 179.45 178.41 1qni s TYR 198 N -2.63 2.50 0.00 1.91 2.02 -1.26 -0.49 117.35 119.41 1qni s TYR 198 Ca -0.07 -0.28 -0.10 0.00 -0.37 0.00 0.00 57.07 56.26 1qni s TYR 198 Cb 0.06 -1.28 0.01 0.00 -0.40 0.00 0.00 41.96 40.35 1qni s TYR 198 CO 0.91 0.45 0.19 0.00 -1.57 0.00 0.00 175.55 175.53 1qni s ALA 199 N -1.44 -0.47 0.02 3.71 0.00 -1.12 -2.18 121.76 120.28 1qni s ALA 199 Ca 0.21 -0.00 -0.07 0.00 0.00 0.00 0.00 51.96 52.09 1qni s ALA 199 Cb -0.09 0.11 -0.00 0.00 0.00 0.00 0.00 23.12 23.14 1qni s ALA 199 CO 0.11 -0.23 0.14 0.95 0.00 0.00 0.00 175.76 176.73 1qni s THR 200 N -1.44 0.10 0.03 0.00 -4.23 0.63 -0.42 115.64 110.31 1qni s THR 200 Ca -0.14 -0.84 0.01 0.00 -1.18 0.00 0.00 61.69 59.54 1qni s THR 200 Cb -0.07 -0.66 -0.02 0.00 1.34 0.00 0.00 72.50 73.10 1qni s THR 200 CO 0.02 -0.46 -0.05 -0.44 -0.54 0.00 0.00 174.62 173.14 1qni s SER 201 N -1.73 0.54 0.51 3.99 0.01 -0.36 -1.08 113.70 115.58 1qni s SER 201 Ca -0.10 -0.52 -0.04 0.00 1.31 0.00 0.00 55.95 56.60 1qni s SER 201 Cb -0.05 0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.25 1qni s SER 201 CO -0.01 -0.25 0.79 0.42 0.41 0.00 0.00 173.24 174.60 1qni s THR 202 N -1.41 4.09 -0.00 1.44 -4.23 -0.40 0.33 115.64 115.46 1qni s THR 202 Ca -0.13 -0.13 -0.00 0.00 -1.18 0.00 0.00 61.69 60.25 1qni s THR 202 Cb -0.10 -3.57 0.00 0.00 1.34 0.00 0.00 72.50 70.18 1qni s THR 202 CO -0.00 -0.51 0.01 0.00 -0.54 0.00 0.00 174.62 173.58 1qni n TYR 204 N 3.22 0.00 -3.08 0.00 0.18 -1.26 -3.72 117.16 112.50 1qni n TYR 204 Ca -0.14 0.00 -0.24 0.00 1.88 0.00 0.00 57.90 59.40 1qni n TYR 204 Cb 0.59 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.50 1qni n TYR 204 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07 1qni n ASN 205 N -0.51 3.01 0.28 9.48 5.15 -1.26 -4.58 115.26 126.83 1qni n ASN 205 Ca 0.00 -3.39 0.18 0.00 -0.60 0.00 0.00 54.58 50.77 1qni n ASN 205 Cb 0.02 -0.59 0.74 0.00 -0.53 0.00 0.00 39.78 39.42 1qni n ASN 205 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1qni h SER 206 N 3.16 0.00 1.30 1.20 4.64 -1.89 -1.75 113.55 120.20 1qni h SER 206 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1qni h SER 206 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1qni h SER 206 CO 0.70 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 176.04 1qni n GLU 207 N -3.10 0.20 -4.03 4.77 4.71 -1.26 -4.36 120.64 117.57 1qni n GLU 207 Ca 0.00 0.19 -0.27 0.00 -0.01 0.00 0.00 57.16 57.07 1qni n GLU 207 Cb 0.28 -1.74 -0.03 0.00 -1.01 0.00 0.00 31.44 28.94 1qni n GLU 207 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1qni n ARG 208 N -2.09 -2.99 -3.78 3.49 1.74 -0.66 -4.97 116.66 107.41 1qni n ARG 208 Ca 0.06 0.36 -0.25 0.00 -0.77 0.00 0.00 57.85 57.25 1qni n ARG 208 Cb 0.39 -4.47 -0.00 0.00 -1.02 0.00 0.00 32.46 27.36 1qni n ARG 208 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qni s ALA 209 N -3.95 4.39 -0.06 7.54 0.00 -1.26 -4.85 121.76 123.57 1qni s ALA 209 Ca 0.08 -1.44 -0.02 0.00 0.00 0.00 0.00 51.96 50.58 1qni s ALA 209 Cb -0.04 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.23 1qni s ALA 209 CO 0.91 -0.45 -0.07 1.55 0.00 0.00 0.00 175.76 177.69 1qni n VAL 210 N -1.77 0.32 -1.99 0.00 3.14 -1.26 -4.84 118.33 111.93 1qni n VAL 210 Ca 0.01 -0.09 -0.38 0.00 -2.96 0.00 0.00 64.34 60.91 1qni n VAL 210 Cb 0.64 -1.32 0.02 0.00 -1.06 0.00 0.00 33.84 32.11 1qni n VAL 210 CO 0.00 0.00 0.00 1.51 -6.46 0.00 0.00 176.83 171.88 1qni s ASP 211 N -5.24 5.73 0.10 6.55 -4.77 -1.26 -4.89 116.67 112.90 1qni s ASP 211 Ca -0.08 2.58 -0.28 0.00 -3.30 0.00 0.00 52.55 51.48 1qni s ASP 211 Cb 0.03 -2.62 -0.10 0.00 -1.09 0.00 0.00 42.92 39.13 1qni s ASP 211 CO 0.11 -1.24 1.46 0.25 0.70 0.00 0.00 175.17 176.45 1qni h LEU 212 N 1.83 -1.51 -1.01 2.11 6.46 -1.99 -2.06 115.31 119.14 1qni h LEU 212 Ca -0.50 0.19 0.37 0.00 -0.12 0.00 0.00 57.88 57.81 1qni h LEU 212 Cb 1.27 0.60 -0.16 0.00 -0.73 0.00 0.00 40.66 41.64 1qni h LEU 212 CO 0.59 -0.37 0.56 0.00 -0.62 0.00 0.00 178.44 178.60 1qni h ALA 213 N -0.37 2.06 0.00 1.25 0.00 -1.98 0.21 119.26 120.44 1qni h ALA 213 Ca 0.04 0.22 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 1qni h ALA 213 Cb 0.53 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1qni h ALA 213 CO -0.43 -0.76 -0.57 0.78 0.00 0.00 0.00 179.25 178.27 1qni h GLY 214 N 0.18 0.00 0.98 0.00 0.00 -1.75 -2.89 103.07 99.58 1qni h GLY 214 Ca 0.79 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.12 1qni h GLY 214 CO -0.68 0.00 -0.11 -1.30 0.00 0.00 0.00 176.54 174.45 1qni n THR 215 N -3.49 0.00 0.18 4.70 -2.24 0.71 -3.26 114.28 110.87 1qni n THR 215 Ca 0.00 -0.05 0.03 0.00 -2.27 0.00 0.00 64.05 61.76 1qni n THR 215 Cb 0.66 -0.12 0.04 0.00 -2.10 0.00 0.00 70.33 68.81 1qni n THR 215 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1qni n MET 216 N -1.01 0.68 0.00 -0.78 2.00 -1.04 -4.71 117.12 112.26 1qni n MET 216 Ca 0.14 -1.13 0.00 0.00 0.00 0.00 0.00 57.70 56.71 1qni n MET 216 Cb 0.28 -1.13 0.00 0.00 0.00 0.00 0.00 33.22 32.36 1qni n MET 216 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 1qni n ARG 217 N 0.30 0.00 -1.73 0.03 0.63 -1.10 -4.72 116.66 110.07 1qni n ARG 217 Ca 0.05 0.53 -0.41 0.00 -0.92 0.00 0.00 57.85 57.09 1qni n ARG 217 Cb 0.21 -1.28 0.01 0.00 0.45 0.00 0.00 32.46 31.86 1qni n ARG 217 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1qni n ASN 218 N -1.72 2.93 0.22 6.15 3.02 -1.26 -4.89 115.26 119.72 1qni n ASN 218 Ca 0.00 1.13 0.07 0.00 -0.03 0.00 0.00 54.58 55.75 1qni n ASN 218 Cb 0.00 -1.55 0.50 0.00 -0.61 0.00 0.00 39.78 38.12 1qni n ASN 218 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1qni h ASP 219 N 2.25 0.00 -4.54 6.41 3.32 -1.98 -3.44 116.42 118.44 1qni h ASP 219 Ca -0.49 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.32 1qni h ASP 219 Cb 1.28 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.60 1qni h ASP 219 CO 0.61 0.26 -0.72 -0.13 -1.72 0.00 0.00 179.24 177.54 1qni s ARG 220 N -4.10 0.34 0.00 3.56 0.52 -1.26 -1.55 118.95 116.46 1qni s ARG 220 Ca -0.02 -0.49 0.00 0.00 -0.52 0.00 0.00 55.73 54.70 1qni s ARG 220 Cb 0.13 -0.11 0.00 0.00 0.52 0.00 0.00 34.95 35.49 1qni s ARG 220 CO 0.66 0.01 0.00 -0.25 0.02 0.00 0.00 175.30 175.75 1qni n ASP 221 N 2.01 0.00 -2.97 0.23 8.00 0.04 -4.85 116.55 119.00 1qni n ASP 221 Ca -0.20 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.29 1qni n ASP 221 Cb 0.56 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.68 1qni n ASP 221 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 1qni n TRP 222 N 0.00 -0.99 -4.05 1.24 2.14 -1.25 -1.96 117.44 112.57 1qni n TRP 222 Ca 0.00 -0.92 -0.29 0.00 2.07 0.00 0.00 57.50 58.37 1qni n TRP 222 Cb 0.00 0.44 -0.17 0.00 -0.81 0.00 0.00 31.31 30.77 1qni n TRP 222 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 1qni s VAL 223 N -2.13 1.36 -0.14 -1.67 1.01 0.34 -1.68 120.40 117.50 1qni s VAL 223 Ca 0.20 -0.51 -0.19 0.00 0.00 0.00 0.00 61.98 61.48 1qni s VAL 223 Cb -0.02 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 1qni s VAL 223 CO 0.03 0.42 0.53 -0.69 0.00 0.00 0.00 175.10 175.39 1qni s VAL 224 N 1.47 5.14 -0.16 2.92 1.01 0.15 -1.84 120.40 129.10 1qni s VAL 224 Ca 0.03 1.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.99 1qni s VAL 224 Cb -0.13 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 1qni s VAL 224 CO -0.08 0.26 0.01 -0.69 0.00 0.00 0.00 175.10 174.61 1qni s VAL 225 N 0.99 4.37 -0.12 2.92 1.01 -0.30 -1.22 120.40 128.05 1qni s VAL 225 Ca 0.27 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.02 1qni s VAL 225 Cb -0.16 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 1qni s VAL 225 CO 0.11 0.49 0.01 -0.36 0.00 0.00 0.00 175.10 175.36 1qni s PHE 226 N 0.19 3.17 -0.94 5.22 0.40 0.44 -2.32 117.98 124.14 1qni s PHE 226 Ca 0.01 0.08 -0.14 0.00 -0.60 0.00 0.00 56.93 56.28 1qni s PHE 226 Cb -0.13 -1.89 0.20 0.00 0.51 0.00 0.00 43.02 41.71 1qni s PHE 226 CO 0.02 0.31 0.97 1.21 0.70 0.00 0.00 175.22 178.43 1qni s ASN 227 N -0.37 6.86 0.33 1.36 3.84 -0.44 -2.80 114.94 123.71 1qni s ASN 227 Ca 0.08 -2.72 0.06 0.00 0.21 0.00 0.00 52.86 50.49 1qni s ASN 227 Cb -0.12 -2.27 0.71 0.00 -0.55 0.00 0.00 41.25 39.02 1qni s ASN 227 CO 0.02 -0.66 1.87 0.58 -2.79 0.00 0.00 177.10 176.13 1qni h VAL 228 N 4.84 0.90 0.15 -5.21 2.07 -1.09 -0.62 116.25 117.29 1qni h VAL 228 Ca 0.15 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.40 1qni h VAL 228 Cb 0.99 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1qni h VAL 228 CO 0.93 0.15 -0.19 -0.08 0.02 0.00 0.00 177.57 178.40 1qni h GLU 229 N 0.81 -0.37 -0.29 1.57 4.81 -1.82 0.46 114.58 119.74 1qni h GLU 229 Ca 0.44 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.68 1qni h GLU 229 Cb 0.56 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 1qni h GLU 229 CO -0.20 -0.25 0.11 0.00 -0.73 0.00 0.00 179.01 177.94 1qni h ARG 230 N -0.39 0.44 -0.61 1.92 3.08 -1.73 -2.11 114.38 114.98 1qni h ARG 230 Ca 0.01 -0.08 0.04 0.00 0.07 0.00 0.00 59.98 60.02 1qni h ARG 230 Cb 0.38 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.32 1qni h ARG 230 CO -0.07 0.47 0.35 0.82 -1.07 0.00 0.00 179.97 180.46 1qni h ILE 231 N 0.32 1.01 -0.62 2.04 2.04 -0.96 -0.30 117.51 121.04 1qni h ILE 231 Ca 0.10 -0.23 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 1qni h ILE 231 Cb 0.19 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 1qni h ILE 231 CO -0.01 0.12 0.11 0.00 0.00 0.00 0.00 178.15 178.38 1qni h ALA 232 N 1.30 0.83 -0.25 1.87 0.00 -0.81 -2.03 119.26 120.17 1qni h ALA 232 Ca 0.26 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1qni h ALA 232 Cb 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1qni h ALA 232 CO -0.14 0.57 0.14 0.00 0.00 0.00 0.00 179.25 179.82 1qni h ALA 233 N 1.03 0.32 -0.96 0.00 0.00 -0.81 -0.94 119.26 117.89 1qni h ALA 233 Ca 0.19 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1qni h ALA 233 Cb 0.41 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1qni h ALA 233 CO 0.01 -0.14 0.63 0.00 0.00 0.00 0.00 179.25 179.75 1qni h ALA 234 N 1.01 1.36 -0.19 0.00 0.00 -0.91 -0.25 119.26 120.28 1qni h ALA 234 Ca 0.09 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 1qni h ALA 234 Cb 0.07 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1qni h ALA 234 CO -0.01 0.56 -0.55 0.28 0.00 0.00 0.00 179.25 179.53 1qni h VAL 235 N 1.24 1.32 -0.38 0.00 2.07 -1.05 -1.75 116.25 117.70 1qni h VAL 235 Ca 0.37 -1.79 -0.10 0.00 0.82 0.00 0.00 66.70 66.00 1qni h VAL 235 Cb -0.04 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1qni h VAL 235 CO -0.11 0.56 -0.18 0.50 0.02 0.00 0.00 177.57 178.36 1qni h LYS 236 N 0.44 0.71 0.00 1.57 3.64 -0.50 -2.39 116.57 120.04 1qni h LYS 236 Ca 0.01 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1qni h LYS 236 Cb 1.09 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1qni h LYS 236 CO 0.10 0.85 0.00 0.00 -2.27 0.00 0.00 179.45 178.13 1qni n ALA 237 N -2.49 2.46 -0.99 5.00 0.00 -0.17 -4.88 120.51 119.44 1qni n ALA 237 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1qni n ALA 237 Cb 0.40 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1qni n ALA 237 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qni n GLY 238 N 0.61 0.69 3.49 0.00 0.00 -0.90 -4.97 105.19 104.11 1qni n GLY 238 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 1qni n GLY 238 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qni s ASN 239 N -2.41 7.00 0.31 1.61 0.01 -0.67 -4.90 114.94 115.89 1qni s ASN 239 Ca 0.00 -2.83 -0.19 0.00 -0.71 0.00 0.00 52.86 49.13 1qni s ASN 239 Cb 0.00 -2.44 0.03 0.00 0.41 0.00 0.00 41.25 39.25 1qni s ASN 239 CO 0.00 -0.86 0.73 0.72 -1.51 0.00 0.00 177.10 176.19 1qni s PHE 240 N 2.22 -0.07 0.45 2.20 -0.12 -1.26 -4.58 117.98 116.82 1qni s PHE 240 Ca 0.45 -0.45 0.03 0.00 -0.05 0.00 0.00 56.93 56.91 1qni s PHE 240 Cb -0.01 0.73 -0.02 0.00 -0.63 0.00 0.00 43.02 43.09 1qni s PHE 240 CO 0.01 -1.33 0.11 0.15 -0.05 0.00 0.00 175.22 174.11 1qni s LYS 241 N -3.43 2.04 -0.01 1.99 1.02 -0.52 -4.88 119.74 115.96 1qni s LYS 241 Ca 0.13 -2.27 0.04 0.00 0.02 0.00 0.00 55.97 53.88 1qni s LYS 241 Cb -0.06 -0.79 -0.01 0.00 -0.52 0.00 0.00 37.83 36.46 1qni s LYS 241 CO 0.09 -0.50 -0.13 0.95 -0.92 0.00 0.00 175.35 174.84 1qni s THR 242 N -3.11 0.99 -0.13 2.17 -4.23 -1.26 -0.93 115.64 109.13 1qni s THR 242 Ca 0.18 -0.56 -0.02 0.00 -1.18 0.00 0.00 61.69 60.11 1qni s THR 242 Cb 0.01 -0.83 -0.03 0.00 1.34 0.00 0.00 72.50 73.00 1qni s THR 242 CO 0.12 0.26 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.77 1qni s ILE 243 N -0.32 3.69 0.00 2.99 1.01 -1.26 -5.02 121.20 122.28 1qni s ILE 243 Ca 0.05 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.25 1qni s ILE 243 Cb -0.05 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 39.84 1qni s ILE 243 CO -0.00 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.07 1qni n GLY 244 N 3.29 2.83 0.81 6.18 0.00 -1.26 -2.75 105.19 114.29 1qni n GLY 244 Ca -0.18 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.64 1qni n GLY 244 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qni n ASP 245 N 3.61 2.46 -4.82 1.61 8.00 -1.26 -4.93 116.55 121.22 1qni n ASP 245 Ca 0.00 -1.82 -0.37 0.00 0.71 0.00 0.00 54.79 53.31 1qni n ASP 245 Cb 0.00 -0.11 -0.06 0.00 -0.02 0.00 0.00 41.12 40.94 1qni n ASP 245 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1qni s SER 246 N -1.72 7.01 0.00 -2.24 0.15 -1.11 -4.98 113.70 110.81 1qni s SER 246 Ca 0.34 1.25 0.25 0.00 0.70 0.00 0.00 55.95 58.50 1qni s SER 246 Cb 0.20 -2.35 0.50 0.00 -1.71 0.00 0.00 66.02 62.66 1qni s SER 246 CO 0.30 0.18 1.43 0.29 1.20 0.00 0.00 173.24 176.64 1qni n LYS 247 N 1.28 1.78 -1.69 5.44 4.76 -1.26 -4.08 118.16 124.39 1qni n LYS 247 Ca -0.07 -1.32 -0.44 0.00 -2.87 0.00 0.00 58.31 53.61 1qni n LYS 247 Cb 0.51 -1.47 -0.04 0.00 -1.84 0.00 0.00 35.03 32.19 1qni n LYS 247 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1qni n VAL 248 N 0.54 0.00 -1.95 -0.18 0.31 -1.26 -4.92 118.33 110.87 1qni n VAL 248 Ca 0.15 -0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.06 1qni n VAL 248 Cb 0.47 -1.74 -0.03 0.00 -0.91 0.00 0.00 33.84 31.63 1qni n VAL 248 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1qni s PRO 249 N 1.03 4.23 -0.08 5.55 0.02 -1.26 -4.60 135.00 139.89 1qni s PRO 249 Ca 0.77 2.35 0.04 0.00 0.02 0.00 0.00 61.00 64.18 1qni s PRO 249 Cb -0.60 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 30.79 1qni s PRO 249 CO 0.35 -0.55 -0.19 0.08 -0.33 0.00 0.00 177.00 176.36 1qni s VAL 250 N 0.72 1.65 0.14 3.83 1.01 -0.11 -0.87 120.40 126.76 1qni s VAL 250 Ca 0.66 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 61.95 1qni s VAL 250 Cb -0.43 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 1qni s VAL 250 CO 0.36 0.47 -0.21 0.68 0.00 0.00 0.00 175.10 176.40 1qni s VAL 251 N 0.37 2.61 -0.25 2.92 -7.23 -0.52 -1.43 120.40 116.87 1qni s VAL 251 Ca -0.14 -1.69 -0.19 0.00 -1.81 0.00 0.00 61.98 58.15 1qni s VAL 251 Cb -0.16 -2.21 -0.03 0.00 0.56 0.00 0.00 36.38 34.55 1qni s VAL 251 CO 0.06 0.04 0.56 -0.62 -0.31 0.00 0.00 175.10 174.82 1qni s ASP 252 N -2.28 6.51 -0.17 4.85 -1.08 -1.26 -1.18 116.67 122.05 1qni s ASP 252 Ca 0.18 0.61 0.17 0.00 -0.52 0.00 0.00 52.55 52.99 1qni s ASP 252 Cb -0.10 -2.30 0.40 0.00 -1.46 0.00 0.00 42.92 39.46 1qni s ASP 252 CO 0.09 -0.30 1.27 0.61 0.52 0.00 0.00 175.17 177.37 1qni n GLY 253 N 4.22 4.63 3.86 2.66 0.00 0.18 -4.79 105.19 115.95 1qni n GLY 253 Ca -0.03 -1.13 -0.31 0.00 0.00 0.00 0.00 46.02 44.55 1qni n GLY 253 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qni s ARG 254 N -2.93 3.90 2.49 1.61 0.52 -1.17 -4.58 118.95 118.79 1qni s ARG 254 Ca 0.37 0.63 0.00 0.00 -0.52 0.00 0.00 55.73 56.21 1qni s ARG 254 Cb 0.32 -2.36 0.00 0.00 0.52 0.00 0.00 34.95 33.43 1qni s ARG 254 CO 0.04 0.01 0.00 0.41 0.02 0.00 0.00 175.30 175.77 1qni n GLY 255 N -0.96 1.66 3.56 -3.53 0.00 -1.26 -4.02 105.19 100.63 1qni n GLY 255 Ca 0.04 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 1qni n GLY 255 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qni s GLU 256 N 0.00 2.95 0.06 1.61 2.02 -1.26 -4.94 118.70 119.15 1qni s GLU 256 Ca 0.00 0.46 0.04 0.00 0.02 0.00 0.00 54.97 55.49 1qni s GLU 256 Cb 0.00 -4.27 -0.03 0.00 0.10 0.00 0.00 34.13 29.93 1qni s GLU 256 CO 0.00 -2.36 -0.13 0.45 0.02 0.00 0.00 175.26 173.24 1qni s SER 257 N 6.20 1.46 0.29 -0.19 0.15 -1.26 -5.02 113.70 115.33 1qni s SER 257 Ca 0.58 -0.60 0.26 0.00 0.70 0.00 0.00 55.95 56.89 1qni s SER 257 Cb -0.12 -0.03 0.86 0.00 -1.71 0.00 0.00 66.02 65.02 1qni s SER 257 CO 0.21 -0.11 1.76 1.05 1.20 0.00 0.00 173.24 177.35 1qni h GLU 258 N 4.35 0.00 0.00 5.44 4.11 -1.92 -3.23 114.58 123.34 1qni h GLU 258 Ca -0.40 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 58.78 1qni h GLU 258 Cb 1.19 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 1qni h GLU 258 CO 0.40 0.00 -1.41 0.74 0.07 0.00 0.00 179.01 178.81 1qni h PHE 259 N 0.00 0.00 -2.76 2.06 0.04 -1.92 -3.45 116.94 110.91 1qni h PHE 259 Ca 0.00 0.00 -0.47 0.00 2.80 0.00 0.00 57.97 60.30 1qni h PHE 259 Cb 0.63 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 38.64 1qni h PHE 259 CO 0.00 1.00 -0.70 0.95 -0.60 0.00 0.00 178.31 178.96 1qni s THR 260 N -2.65 1.68 -0.06 -1.55 -4.23 -1.22 -1.33 115.64 106.27 1qni s THR 260 Ca -0.02 -2.17 -0.03 0.00 -1.18 0.00 0.00 61.69 58.30 1qni s THR 260 Cb 0.09 -2.27 0.04 0.00 1.34 0.00 0.00 72.50 71.70 1qni s THR 260 CO 0.82 -0.43 0.13 -0.13 -0.54 0.00 0.00 174.62 174.48 1qni s ARG 261 N -3.69 0.05 -0.44 3.99 3.00 -0.98 -4.47 118.95 116.40 1qni s ARG 261 Ca 0.26 0.40 -0.10 0.00 0.00 0.00 0.00 55.73 56.30 1qni s ARG 261 Cb 0.02 -0.23 0.09 0.00 0.00 0.00 0.00 34.95 34.83 1qni s ARG 261 CO 0.10 -0.21 0.31 0.71 0.00 0.00 0.00 175.30 176.20 1qni s TYR 262 N 1.51 3.36 -0.35 -0.53 1.51 -1.26 -1.15 117.35 120.43 1qni s TYR 262 Ca -0.05 -1.60 -0.19 0.00 -1.01 0.00 0.00 57.07 54.22 1qni s TYR 262 Cb -0.12 -3.19 0.00 0.00 -0.11 0.00 0.00 41.96 38.54 1qni s TYR 262 CO -0.05 -0.90 0.59 0.42 -1.11 0.00 0.00 175.55 174.49 1qni s ILE 263 N 1.42 4.94 0.24 2.71 1.01 -0.77 -4.89 121.20 125.87 1qni s ILE 263 Ca 0.04 0.48 -0.31 0.00 0.00 0.00 0.00 60.65 60.85 1qni s ILE 263 Cb -0.24 -4.03 -0.12 0.00 0.01 0.00 0.00 42.46 38.07 1qni s ILE 263 CO 0.01 -0.28 1.66 -2.65 0.00 0.00 0.00 174.94 173.68 1qni n PRO 264 N 5.92 2.68 -4.05 2.79 -0.02 -1.26 -0.50 135.00 140.55 1qni n PRO 264 Ca -0.03 0.96 -0.15 0.00 -2.02 0.00 0.00 63.50 62.26 1qni n PRO 264 Cb 0.49 -2.77 -0.15 0.00 -0.02 0.00 0.00 33.50 31.05 1qni n PRO 264 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1qni s VAL 265 N 0.68 0.28 -0.35 -1.45 1.01 -0.83 -4.87 120.40 114.87 1qni s VAL 265 Ca 0.71 -0.12 -0.41 0.00 0.00 0.00 0.00 61.98 62.16 1qni s VAL 265 Cb -0.52 -0.25 -0.16 0.00 0.00 0.00 0.00 36.38 35.44 1qni s VAL 265 CO 0.39 0.09 1.79 -2.65 0.00 0.00 0.00 175.10 174.73 1qni n PRO 266 N 3.16 0.81 0.00 2.72 -0.02 -1.26 -0.78 135.00 139.63 1qni n PRO 266 Ca -0.15 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1qni n PRO 266 Cb 0.57 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 1qni n PRO 266 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1qni n LYS 267 N 5.57 0.00 -3.92 -0.52 5.02 -0.60 -4.00 118.16 119.71 1qni n LYS 267 Ca 0.31 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.27 1qni n LYS 267 Cb 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.10 1qni n LYS 267 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1qni n ASN 268 N 1.15 -2.89 -4.72 4.39 4.13 -1.26 -2.79 115.26 113.26 1qni n ASN 268 Ca 0.00 -1.11 -0.39 0.00 1.68 0.00 0.00 54.58 54.76 1qni n ASN 268 Cb 0.00 -2.70 0.03 0.00 -1.54 0.00 0.00 39.78 35.57 1qni n ASN 268 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1qni n PRO 269 N -4.50 1.78 0.00 3.52 -0.04 -1.24 -4.45 135.00 130.07 1qni n PRO 269 Ca -0.19 0.65 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 1qni n PRO 269 Cb 0.62 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 1qni n PRO 269 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1qni n HIS 270 N -0.72 0.00 -1.36 0.54 -0.00 0.01 -4.32 115.22 109.37 1qni n HIS 270 Ca 0.09 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.93 1qni n HIS 270 Cb 0.43 0.00 0.10 0.00 -0.12 0.00 0.00 29.99 30.40 1qni n HIS 270 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1qni s GLY 271 N -0.45 2.23 -0.17 1.57 0.00 0.33 -3.97 107.32 106.85 1qni s GLY 271 Ca 0.00 0.80 -0.04 0.00 0.00 0.00 0.00 44.72 45.47 1qni s GLY 271 CO 0.00 1.20 0.18 -2.27 0.00 0.00 0.00 173.10 172.21 1qni s LEU 272 N -5.33 -0.01 -0.02 0.66 0.20 -1.25 -0.82 118.68 112.11 1qni s LEU 272 Ca 0.72 -0.20 0.05 0.00 0.69 0.00 0.00 54.13 55.40 1qni s LEU 272 Cb -0.27 0.23 -0.01 0.00 -0.43 0.00 0.00 46.19 45.71 1qni s LEU 272 CO 0.47 -0.32 -0.18 0.20 -0.29 0.00 0.00 176.35 176.23 1qni s ASN 273 N 2.28 2.15 -0.05 3.68 -0.87 0.08 -4.35 114.94 117.87 1qni s ASN 273 Ca 0.05 -0.34 -0.15 0.00 -1.57 0.00 0.00 52.86 50.86 1qni s ASN 273 Cb -0.15 -0.30 -0.05 0.00 -0.02 0.00 0.00 41.25 40.73 1qni s ASN 273 CO -0.10 0.21 0.40 -0.89 -2.57 0.00 0.00 177.10 174.15 1qni s THR 274 N -0.36 5.11 0.56 1.60 2.01 -1.26 0.24 115.64 123.54 1qni s THR 274 Ca 0.05 0.81 -0.16 0.00 0.31 0.00 0.00 61.69 62.70 1qni s THR 274 Cb -0.08 -3.71 -0.06 0.00 0.01 0.00 0.00 72.50 68.66 1qni s THR 274 CO -0.00 0.51 1.02 -0.94 -0.69 0.00 0.00 174.62 174.51 1qni s SER 275 N -0.56 6.26 0.33 3.53 1.04 -0.47 -4.91 113.70 118.93 1qni s SER 275 Ca 0.23 1.64 0.01 0.00 0.48 0.00 0.00 55.95 58.32 1qni s SER 275 Cb -0.16 -2.51 0.58 0.00 0.10 0.00 0.00 66.02 64.02 1qni s SER 275 CO 0.11 -0.84 1.97 -0.65 0.98 0.00 0.00 173.24 174.82 1qni h PRO 276 N 0.60 0.92 0.00 4.02 0.11 -1.83 -1.29 132.00 134.53 1qni h PRO 276 Ca -0.46 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1qni h PRO 276 Cb 1.20 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 1qni h PRO 276 CO 0.60 0.61 -0.03 0.38 -0.21 0.00 0.00 178.00 179.35 1qni h ASP 277 N 0.95 0.00 0.00 -2.05 3.04 -1.91 -3.41 116.42 113.04 1qni h ASP 277 Ca 0.29 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.08 1qni h ASP 277 Cb -0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1qni h ASP 277 CO -0.08 0.03 0.00 0.61 -2.04 0.00 0.00 179.24 177.76 1qni n GLY 278 N -0.55 0.55 0.13 7.15 0.00 -0.49 -4.97 105.19 107.01 1qni n GLY 278 Ca -0.01 -0.74 0.02 0.00 0.00 0.00 0.00 46.02 45.29 1qni n GLY 278 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1qni n LYS 279 N -2.75 1.27 -4.38 1.61 2.85 -1.26 -4.54 118.16 110.97 1qni n LYS 279 Ca 0.00 -0.55 -0.21 0.00 -1.05 0.00 0.00 58.31 56.50 1qni n LYS 279 Cb 0.00 -0.97 -0.16 0.00 -0.65 0.00 0.00 35.03 33.25 1qni n LYS 279 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1qni s TYR 280 N -0.64 0.97 -0.25 5.58 2.02 -1.26 -1.36 117.35 122.42 1qni s TYR 280 Ca 0.04 -0.26 -0.07 0.00 -0.37 0.00 0.00 57.07 56.41 1qni s TYR 280 Cb 0.03 -0.72 -0.02 0.00 -0.40 0.00 0.00 41.96 40.86 1qni s TYR 280 CO 0.08 -0.13 0.05 -0.06 -1.57 0.00 0.00 175.55 173.92 1qni s PHE 281 N 0.36 3.07 -0.25 2.71 0.08 -0.49 -1.37 117.98 122.08 1qni s PHE 281 Ca -0.06 -0.61 -0.05 0.00 0.12 0.00 0.00 56.93 56.33 1qni s PHE 281 Cb -0.10 -2.21 -0.00 0.00 -0.57 0.00 0.00 43.02 40.13 1qni s PHE 281 CO 0.01 -0.43 0.01 0.42 -0.10 0.00 0.00 175.22 175.13 1qni s ILE 282 N 1.57 3.61 0.01 0.64 1.01 0.14 -0.51 121.20 127.67 1qni s ILE 282 Ca 0.06 -0.60 -0.13 0.00 0.00 0.00 0.00 60.65 59.99 1qni s ILE 282 Cb -0.15 -2.75 -0.06 0.00 0.01 0.00 0.00 42.46 39.51 1qni s ILE 282 CO 0.02 0.27 0.38 0.00 0.00 0.00 0.00 174.94 175.60 1qni s ALA 283 N 1.48 3.73 -0.21 9.38 0.00 0.48 -0.74 121.76 135.89 1qni s ALA 283 Ca 0.04 -0.30 -0.12 0.00 0.00 0.00 0.00 51.96 51.58 1qni s ALA 283 Cb -0.16 -2.31 -0.05 0.00 0.00 0.00 0.00 23.12 20.60 1qni s ALA 283 CO -0.01 0.52 0.23 -0.80 0.00 0.00 0.00 175.76 175.70 1qni s ASN 284 N -1.24 6.27 0.31 0.00 0.01 0.00 0.06 114.94 120.35 1qni s ASN 284 Ca 0.25 0.30 -0.01 0.00 -0.71 0.00 0.00 52.86 52.70 1qni s ASN 284 Cb -0.16 -2.14 0.49 0.00 0.41 0.00 0.00 41.25 39.85 1qni s ASN 284 CO 0.13 0.07 1.95 1.23 -1.51 0.00 0.00 177.10 178.98 1qni h GLY 285 N 7.14 1.03 0.00 0.66 0.00 -1.15 0.07 103.07 110.83 1qni h GLY 285 Ca -0.39 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.52 1qni h GLY 285 CO 0.72 0.41 0.00 1.17 0.00 0.00 0.00 176.54 178.84 1qni n LYS 286 N -4.39 0.00 0.21 4.80 4.81 0.23 -1.77 118.16 122.04 1qni n LYS 286 Ca 0.07 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.58 1qni n LYS 286 Cb 0.07 0.00 0.44 0.00 0.02 0.00 0.00 35.03 35.56 1qni n LYS 286 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1qni h LEU 287 N 0.00 0.00 -9.39 3.14 3.38 -1.74 -3.22 115.31 107.49 1qni h LEU 287 Ca 0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 1qni h LEU 287 Cb 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.65 1qni h LEU 287 CO 0.00 0.31 -0.46 -0.55 0.09 0.00 0.00 178.44 177.83 1qni s SER 288 N -6.53 6.30 0.00 -0.43 0.15 -0.73 -4.94 113.70 107.52 1qni s SER 288 Ca -0.02 0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.98 1qni s SER 288 Cb 0.13 -2.10 0.00 0.00 -1.71 0.00 0.00 66.02 62.34 1qni s SER 288 CO 0.67 0.24 0.73 -0.81 1.20 0.00 0.00 173.24 175.27 1qni n PRO 289 N 3.06 0.74 -3.19 5.44 -0.04 -1.26 -4.25 135.00 135.49 1qni n PRO 289 Ca -0.17 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.15 1qni n PRO 289 Cb 0.53 -1.14 -0.03 0.00 -0.04 0.00 0.00 33.50 32.82 1qni n PRO 289 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1qni n THR 290 N 0.62 0.00 -3.83 0.52 -2.24 -1.26 -0.59 114.28 107.50 1qni n THR 290 Ca 0.00 -1.08 -0.12 0.00 -2.27 0.00 0.00 64.05 60.58 1qni n THR 290 Cb 0.36 0.24 -0.12 0.00 -2.10 0.00 0.00 70.33 68.71 1qni n THR 290 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1qni s VAL 291 N -1.87 0.01 -0.23 2.28 1.01 -1.11 -1.04 120.40 119.45 1qni s VAL 291 Ca 0.01 -0.10 -0.05 0.00 0.00 0.00 0.00 61.98 61.84 1qni s VAL 291 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 36.38 36.13 1qni s VAL 291 CO 0.01 -0.06 -0.01 -0.44 0.00 0.00 0.00 175.10 174.60 1qni s SER 292 N -0.13 4.53 -0.46 3.32 0.01 0.11 -3.68 113.70 117.40 1qni s SER 292 Ca -0.02 -0.34 -0.16 0.00 1.31 0.00 0.00 55.95 56.74 1qni s SER 292 Cb -0.02 -1.79 0.06 0.00 0.21 0.00 0.00 66.02 64.48 1qni s SER 292 CO 0.00 -0.02 0.42 -0.69 0.41 0.00 0.00 173.24 173.37 1qni s VAL 293 N 1.50 5.16 -0.07 3.43 1.01 -0.32 -0.38 120.40 130.73 1qni s VAL 293 Ca 0.06 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 61.05 1qni s VAL 293 Cb -0.14 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 1qni s VAL 293 CO -0.01 -0.57 0.38 -0.63 0.00 0.00 0.00 175.10 174.28 1qni s ILE 294 N 1.86 5.16 -0.38 2.22 1.01 0.34 -0.63 121.20 130.77 1qni s ILE 294 Ca 0.07 0.77 -0.21 0.00 0.00 0.00 0.00 60.65 61.27 1qni s ILE 294 Cb -0.22 -3.70 0.01 0.00 0.01 0.00 0.00 42.46 38.56 1qni s ILE 294 CO 0.09 0.47 0.67 0.00 0.00 0.00 0.00 174.94 176.17 1qni s ALA 295 N -0.28 3.41 0.34 9.38 0.00 0.24 -1.40 121.76 133.45 1qni s ALA 295 Ca 0.22 -0.92 0.35 0.00 0.00 0.00 0.00 51.96 51.61 1qni s ALA 295 Cb -0.15 -3.25 1.65 0.00 0.00 0.00 0.00 23.12 21.37 1qni s ALA 295 CO 0.10 -1.51 2.10 0.82 0.00 0.00 0.00 175.76 177.27 1qni h ILE 296 N 5.76 0.17 -0.02 0.00 2.04 -1.55 -2.02 117.51 121.89 1qni h ILE 296 Ca -0.26 -0.42 -0.10 0.00 1.00 0.00 0.00 64.86 65.09 1qni h ILE 296 Cb 1.10 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 1qni h ILE 296 CO 0.87 0.04 -0.44 -0.78 0.00 0.00 0.00 178.15 177.84 1qni h ASP 297 N 0.00 0.04 0.14 1.72 1.82 -1.91 -2.83 116.42 115.41 1qni h ASP 297 Ca -0.00 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.62 1qni h ASP 297 Cb 0.34 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.34 1qni h ASP 297 CO 0.01 0.48 -0.12 0.29 -1.61 0.00 0.00 179.24 178.28 1qni n LYS 298 N -4.01 1.16 -0.05 0.28 5.02 -0.76 -4.24 118.16 115.55 1qni n LYS 298 Ca -0.02 -0.63 -0.03 0.00 -2.02 0.00 0.00 58.31 55.61 1qni n LYS 298 Cb 0.47 -1.49 0.20 0.00 -0.02 0.00 0.00 35.03 34.19 1qni n LYS 298 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1qni h LEU 299 N 1.54 0.62 -0.42 -0.35 3.38 -1.51 -2.61 115.31 115.97 1qni h LEU 299 Ca 0.00 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1qni h LEU 299 Cb 0.47 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1qni h LEU 299 CO 0.00 0.75 0.26 0.44 0.09 0.00 0.00 178.44 179.98 1qni h ASP 300 N 0.60 0.44 -0.51 -0.43 3.32 -1.78 -2.02 116.42 116.04 1qni h ASP 300 Ca 0.11 -0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 1qni h ASP 300 Cb 0.50 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1qni h ASP 300 CO 0.03 0.32 -0.02 0.44 -1.72 0.00 0.00 179.24 178.29 1qni h ASP 301 N 0.53 0.93 -0.62 6.45 3.32 -1.82 -2.77 116.42 122.44 1qni h ASP 301 Ca 0.16 -0.26 0.04 0.00 0.02 0.00 0.00 57.03 56.99 1qni h ASP 301 Cb -0.03 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.24 1qni h ASP 301 CO -0.05 1.00 0.41 0.25 -1.72 0.00 0.00 179.24 179.12 1qni h LEU 302 N 0.87 0.61 -0.42 1.55 5.85 -1.05 0.37 115.31 123.09 1qni h LEU 302 Ca 0.16 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1qni h LEU 302 Cb 0.54 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1qni h LEU 302 CO 0.03 0.42 0.00 0.49 -0.34 0.00 0.00 178.44 179.03 1qni n PHE 303 N -4.47 0.06 0.29 1.25 3.01 -0.80 -2.47 117.46 114.33 1qni n PHE 303 Ca 0.08 -0.03 0.03 0.00 1.01 0.00 0.00 57.45 58.54 1qni n PHE 303 Cb 0.15 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.65 1qni n PHE 303 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1qni n GLU 304 N -0.40 0.05 -2.29 -1.08 4.07 0.11 -4.99 120.64 116.11 1qni n GLU 304 Ca 0.17 -0.90 -0.20 0.00 -0.06 0.00 0.00 57.16 56.17 1qni n GLU 304 Cb 0.18 -1.13 -0.02 0.00 -0.06 0.00 0.00 31.44 30.41 1qni n GLU 304 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1qni n ASP 305 N 0.37 -5.71 0.11 4.31 8.00 -0.20 -4.87 116.55 118.56 1qni n ASP 305 Ca 0.04 0.04 0.10 0.00 0.71 0.00 0.00 54.79 55.68 1qni n ASP 305 Cb 0.17 -4.76 0.02 0.00 -0.02 0.00 0.00 41.12 36.53 1qni n ASP 305 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1qni h LYS 306 N 0.00 0.00 -5.04 -1.24 1.57 -1.66 -3.47 116.57 106.73 1qni h LYS 306 Ca -0.47 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 57.84 1qni h LYS 306 Cb 1.35 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.52 1qni h LYS 306 CO 0.57 0.06 -0.57 0.96 -0.57 0.00 0.00 179.45 179.90 1qni s ILE 307 N -3.27 0.72 0.33 1.86 -4.36 -1.26 -5.03 121.20 110.20 1qni s ILE 307 Ca 0.01 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.29 1qni s ILE 307 Cb 0.09 -2.57 -0.07 0.00 1.25 0.00 0.00 42.46 41.16 1qni s ILE 307 CO 0.77 0.00 0.67 -0.70 0.24 0.00 0.00 174.94 175.93 1qni s GLU 308 N -3.84 3.80 0.13 0.37 2.56 -1.26 -4.79 118.70 115.66 1qni s GLU 308 Ca 0.32 0.38 -0.33 0.00 0.00 0.00 0.00 54.97 55.34 1qni s GLU 308 Cb 0.06 -2.50 -0.10 0.00 2.00 0.00 0.00 34.13 33.58 1qni s GLU 308 CO 0.15 0.13 1.56 -0.07 -0.56 0.00 0.00 175.26 176.47 1qni h LEU 309 N 1.82 -1.68 0.00 2.70 3.38 -1.95 -0.43 115.31 119.15 1qni h LEU 309 Ca -0.47 0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1qni h LEU 309 Cb 1.18 0.67 0.00 0.00 0.09 0.00 0.00 40.66 42.60 1qni h LEU 309 CO 0.66 -0.45 0.00 0.54 0.09 0.00 0.00 178.44 179.27 1qni n ARG 310 N -5.42 0.30 0.16 1.13 5.12 -1.26 -2.41 116.66 114.28 1qni n ARG 310 Ca -0.05 0.07 0.13 0.00 -1.93 0.00 0.00 57.85 56.08 1qni n ARG 310 Cb 0.37 -1.50 0.48 0.00 -1.16 0.00 0.00 32.46 30.65 1qni n ARG 310 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1qni h ASP 311 N 0.00 0.00 1.49 0.55 3.32 -1.45 -2.55 116.42 117.78 1qni h ASP 311 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1qni h ASP 311 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1qni h ASP 311 CO 0.00 0.00 0.00 0.71 -1.72 0.00 0.00 179.24 178.23 1qni h THR 312 N 0.00 0.00 -2.90 0.35 1.35 -1.60 -3.43 112.91 106.68 1qni h THR 312 Ca 0.00 -0.65 -0.57 0.00 -0.55 0.00 0.00 66.41 64.64 1qni h THR 312 Cb 0.53 1.61 -0.04 0.00 -1.73 0.00 0.00 68.15 68.53 1qni h THR 312 CO 0.00 0.00 0.91 -0.63 -0.25 0.00 0.00 175.52 175.55 1qni s ILE 313 N -3.28 4.24 -0.39 6.82 -1.09 -0.96 -0.59 121.20 125.95 1qni s ILE 313 Ca 0.07 1.50 0.17 0.00 -2.23 0.00 0.00 60.65 60.16 1qni s ILE 313 Cb 0.08 -3.97 -0.23 0.00 -1.58 0.00 0.00 42.46 36.76 1qni s ILE 313 CO 0.59 -0.13 0.55 0.52 -1.23 0.00 0.00 174.94 175.23 1qni n VAL 314 N 5.36 0.00 -3.53 2.92 0.31 0.20 -4.96 118.33 118.63 1qni n VAL 314 Ca 0.14 -0.26 -0.11 0.00 -0.01 0.00 0.00 64.34 64.10 1qni n VAL 314 Cb 0.45 0.51 -0.04 0.00 -0.91 0.00 0.00 33.84 33.85 1qni n VAL 314 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1qni s ALA 315 N -2.95 -1.85 -0.44 3.52 0.00 -1.22 -4.55 121.76 114.27 1qni s ALA 315 Ca -0.00 1.26 0.07 0.00 0.00 0.00 0.00 51.96 53.28 1qni s ALA 315 Cb 0.12 -0.07 0.33 0.00 0.00 0.00 0.00 23.12 23.51 1qni s ALA 315 CO 0.72 -0.50 1.11 -1.91 0.00 0.00 0.00 175.76 175.19 1qni n GLU 316 N 0.30 1.04 -2.15 0.00 2.13 -1.26 -1.18 120.64 119.52 1qni n GLU 316 Ca -0.11 -2.06 -0.38 0.00 0.66 0.00 0.00 57.16 55.27 1qni n GLU 316 Cb 0.60 -0.98 0.00 0.00 0.27 0.00 0.00 31.44 31.32 1qni n GLU 316 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1qni s PRO 317 N -0.01 3.66 -0.04 5.31 0.04 -1.24 -4.68 135.00 138.03 1qni s PRO 317 Ca 0.24 1.90 -0.23 0.00 0.04 0.00 0.00 61.00 62.95 1qni s PRO 317 Cb 0.31 -2.41 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 1qni s PRO 317 CO -0.06 -0.67 0.67 -2.00 0.04 0.00 0.00 177.00 174.98 1qni s GLU 318 N -2.69 4.41 -0.01 4.56 2.12 -1.26 -2.75 118.70 123.08 1qni s GLU 318 Ca 0.64 0.83 0.00 0.00 0.36 0.00 0.00 54.97 56.81 1qni s GLU 318 Cb -0.32 -3.41 -0.01 0.00 0.26 0.00 0.00 34.13 30.65 1qni s GLU 318 CO 0.39 0.17 -0.01 1.28 -0.54 0.00 0.00 175.26 176.55 1qni n LEU 319 N 3.40 2.77 0.00 2.70 4.77 0.24 -4.98 117.00 125.90 1qni n LEU 319 Ca -0.03 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1qni n LEU 319 Cb 0.51 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1qni n LEU 319 CO 0.46 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 1qni n GLY 320 N 3.42 -1.47 3.65 -0.72 0.00 -1.15 -5.06 105.19 103.86 1qni n GLY 320 Ca -0.02 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 1qni n GLY 320 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qni s LEU 321 N 0.00 4.09 0.00 0.99 1.43 -1.26 -4.21 118.68 119.72 1qni s LEU 321 Ca 0.00 1.15 0.00 0.00 -1.03 0.00 0.00 54.13 54.25 1qni s LEU 321 Cb 0.00 -3.30 0.00 0.00 0.03 0.00 0.00 46.19 42.92 1qni s LEU 321 CO 0.00 -0.56 0.00 0.61 0.23 0.00 0.00 176.35 176.63 1qni n GLY 322 N 3.61 0.54 3.68 -3.19 0.00 -1.21 -2.19 105.19 106.42 1qni n GLY 322 Ca 0.08 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 1qni n GLY 322 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qni s PRO 323 N -4.15 4.27 -0.12 1.61 0.04 -1.25 0.34 135.00 135.74 1qni s PRO 323 Ca 0.00 1.80 0.01 0.00 0.04 0.00 0.00 61.00 62.85 1qni s PRO 323 Cb 0.00 -3.68 -0.08 0.00 0.04 0.00 0.00 34.50 30.78 1qni s PRO 323 CO 0.00 -0.61 -0.11 1.28 0.04 0.00 0.00 177.00 177.59 1qni n LEU 324 N 5.93 2.89 -3.97 -3.56 4.77 -0.86 -0.60 117.00 121.59 1qni n LEU 324 Ca 0.13 -0.06 -0.09 0.00 -0.03 0.00 0.00 56.01 55.97 1qni n LEU 324 Cb 0.45 -0.43 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 1qni n LEU 324 CO 0.57 0.69 -0.28 -1.00 -1.33 0.00 0.00 177.39 176.04 1qni s HIS 325 N -2.25 0.27 0.01 -1.77 3.76 -1.26 -0.51 115.29 113.53 1qni s HIS 325 Ca -0.17 -0.60 0.02 0.00 -0.15 0.00 0.00 55.06 54.17 1qni s HIS 325 Cb 0.04 -0.20 -0.01 0.00 1.11 0.00 0.00 32.58 33.53 1qni s HIS 325 CO 0.28 -0.32 -0.07 0.99 -0.85 0.00 0.00 174.74 174.77 1qni s THR 326 N -2.47 0.57 0.21 1.30 2.01 -1.26 -1.56 115.64 114.44 1qni s THR 326 Ca -0.06 -0.51 0.02 0.00 0.31 0.00 0.00 61.69 61.45 1qni s THR 326 Cb -0.02 -0.52 -0.05 0.00 0.01 0.00 0.00 72.50 71.92 1qni s THR 326 CO -0.04 0.02 0.02 0.28 -0.69 0.00 0.00 174.62 174.20 1qni s THR 327 N -0.48 0.80 0.10 -0.82 -1.32 0.45 -4.77 115.64 109.61 1qni s THR 327 Ca -0.00 -2.01 0.07 0.00 -1.21 0.00 0.00 61.69 58.54 1qni s THR 327 Cb -0.05 -2.32 -0.03 0.00 -1.51 0.00 0.00 72.50 68.59 1qni s THR 327 CO 0.00 -0.32 -0.16 -0.36 -2.21 0.00 0.00 174.62 171.57 1qni s PHE 328 N -3.58 1.49 -2.69 9.09 0.40 -1.26 -0.41 117.98 121.02 1qni s PHE 328 Ca 0.29 -0.48 0.25 0.00 -0.60 0.00 0.00 56.93 56.39 1qni s PHE 328 Cb 0.06 -0.80 0.51 0.00 0.51 0.00 0.00 43.02 43.30 1qni s PHE 328 CO 0.08 0.15 1.44 -0.40 0.70 0.00 0.00 175.22 177.18 1qni n ASP 329 N 0.92 2.30 0.00 1.36 5.68 -1.20 -4.61 116.55 121.00 1qni n ASP 329 Ca -0.18 -1.73 0.00 0.00 -0.50 0.00 0.00 54.79 52.37 1qni n ASP 329 Cb 0.55 0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 1qni n ASP 329 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qni n GLY 330 N 1.29 0.73 0.73 6.12 0.00 -1.26 -2.15 105.19 110.66 1qni n GLY 330 Ca 0.15 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.26 1qni n GLY 330 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qni n ARG 331 N -2.20 2.69 -0.24 1.61 1.74 -1.26 -4.95 116.66 114.05 1qni n ARG 331 Ca 0.00 -2.70 0.00 0.00 -0.77 0.00 0.00 57.85 54.38 1qni n ARG 331 Cb 0.02 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 29.74 1qni n ARG 331 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qni n GLY 332 N -0.54 1.01 3.94 -0.13 0.00 -1.26 -5.05 105.19 103.15 1qni n GLY 332 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 1qni n GLY 332 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qni s ASN 333 N -2.95 6.36 0.20 1.61 0.01 -1.26 -2.46 114.94 116.45 1qni s ASN 333 Ca 0.00 0.24 0.11 0.00 -0.71 0.00 0.00 52.86 52.51 1qni s ASN 333 Cb 0.00 -1.94 -0.04 0.00 0.41 0.00 0.00 41.25 39.67 1qni s ASN 333 CO 0.00 0.06 -0.24 0.00 -1.51 0.00 0.00 177.10 175.41 1qni s ALA 334 N -1.72 2.54 -0.10 0.60 0.00 0.13 -3.21 121.76 120.00 1qni s ALA 334 Ca 0.36 -1.66 -0.00 0.00 0.00 0.00 0.00 51.96 50.65 1qni s ALA 334 Cb -0.11 -0.32 0.02 0.00 0.00 0.00 0.00 23.12 22.71 1qni s ALA 334 CO 0.28 0.41 -0.06 0.71 0.00 0.00 0.00 175.76 177.10 1qni s TYR 335 N -1.74 1.32 -0.01 0.00 1.51 0.45 -0.86 117.35 118.02 1qni s TYR 335 Ca 0.21 -0.62 0.07 0.00 -1.01 0.00 0.00 57.07 55.73 1qni s TYR 335 Cb -0.08 -1.13 -0.02 0.00 -0.11 0.00 0.00 41.96 40.62 1qni s TYR 335 CO 0.10 -0.46 -0.22 0.99 -1.11 0.00 0.00 175.55 174.85 1qni s THR 336 N 1.67 1.73 0.13 -0.71 2.01 0.09 -0.41 115.64 120.15 1qni s THR 336 Ca 0.03 -0.98 -0.22 0.00 0.31 0.00 0.00 61.69 60.83 1qni s THR 336 Cb -0.13 -1.45 -0.07 0.00 0.01 0.00 0.00 72.50 70.86 1qni s THR 336 CO -0.07 0.45 0.68 0.42 -0.69 0.00 0.00 174.62 175.42 1qni s THR 337 N -0.56 4.54 -0.44 -0.82 -4.23 -0.60 0.71 115.64 114.24 1qni s THR 337 Ca 0.08 1.46 0.00 0.00 -1.18 0.00 0.00 61.69 62.06 1qni s THR 337 Cb -0.08 -4.02 0.12 0.00 1.34 0.00 0.00 72.50 69.86 1qni s THR 337 CO -0.00 0.52 0.20 -0.76 -0.54 0.00 0.00 174.62 174.04 1qni s LEU 338 N -1.19 4.99 0.10 4.79 1.43 0.18 -2.04 118.68 126.95 1qni s LEU 338 Ca 0.33 -2.33 -0.33 0.00 -1.03 0.00 0.00 54.13 50.78 1qni s LEU 338 Cb -0.21 -1.75 -0.13 0.00 0.03 0.00 0.00 46.19 44.13 1qni s LEU 338 CO 0.23 -0.43 1.58 0.15 0.23 0.00 0.00 176.35 178.11 1qni h PHE 339 N 7.56 -1.30 -0.42 0.29 3.57 -0.13 0.28 116.94 126.79 1qni h PHE 339 Ca -0.08 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.36 1qni h PHE 339 Cb 1.00 0.54 -0.01 0.00 2.79 0.00 0.00 35.95 40.27 1qni h PHE 339 CO 0.55 -0.57 -0.07 0.82 -2.23 0.00 0.00 178.31 176.80 1qni h ILE 340 N -0.76 1.27 0.00 1.41 2.04 -1.63 -2.66 117.51 117.18 1qni h ILE 340 Ca -0.01 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.70 1qni h ILE 340 Cb 0.74 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1qni h ILE 340 CO -0.21 0.39 0.00 0.47 0.00 0.00 0.00 178.15 178.81 1qni n ASP 341 N -4.34 0.00 -3.61 1.72 8.00 -1.05 -4.95 116.55 112.32 1qni n ASP 341 Ca -0.01 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.22 1qni n ASP 341 Cb 0.35 -0.33 0.05 0.00 -0.02 0.00 0.00 41.12 41.16 1qni n ASP 341 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1qni n SER 342 N -1.33 -5.00 -3.75 -2.24 2.88 0.93 -4.91 113.62 100.19 1qni n SER 342 Ca 0.13 -0.94 -0.08 0.00 -1.33 0.00 0.00 58.87 56.64 1qni n SER 342 Cb 0.26 -3.78 -0.02 0.00 -0.75 0.00 0.00 64.21 59.92 1qni n SER 342 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qni s GLN 343 N -5.70 1.66 -0.10 -1.46 -2.07 -0.86 -1.56 119.66 109.58 1qni s GLN 343 Ca 0.41 -0.86 -0.00 0.00 -1.82 0.00 0.00 55.36 53.09 1qni s GLN 343 Cb -0.13 0.60 -0.02 0.00 -1.09 0.00 0.00 33.01 32.37 1qni s GLN 343 CO 0.83 -0.75 -0.09 0.08 -1.32 0.00 0.00 175.29 174.04 1qni s VAL 344 N -3.88 3.51 -0.19 3.63 1.01 -0.45 0.49 120.40 124.52 1qni s VAL 344 Ca 0.09 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 1qni s VAL 344 Cb -0.05 -2.46 -0.00 0.00 0.00 0.00 0.00 36.38 33.86 1qni s VAL 344 CO 0.02 0.55 -0.09 0.00 0.00 0.00 0.00 175.10 175.58 1qni s LYS 346 N 1.21 4.17 0.05 0.00 2.20 -0.05 -0.73 119.74 126.58 1qni s LYS 346 Ca 0.02 0.21 0.01 0.00 -0.36 0.00 0.00 55.97 55.85 1qni s LYS 346 Cb -0.14 -3.55 -0.03 0.00 -1.51 0.00 0.00 37.83 32.60 1qni s LYS 346 CO -0.03 -0.06 -0.05 1.67 -0.36 0.00 0.00 175.35 176.51 1qni s TRP 347 N 1.39 0.58 -0.20 4.03 1.48 -0.04 -0.60 118.94 125.58 1qni s TRP 347 Ca 0.19 -0.74 -0.18 0.00 -1.06 0.00 0.00 56.10 54.31 1qni s TRP 347 Cb -0.15 -0.37 -0.03 0.00 -1.16 0.00 0.00 33.47 31.76 1qni s TRP 347 CO 0.08 -0.20 0.50 1.21 -4.06 0.00 0.00 176.95 174.49 1qni s ASN 348 N -2.21 6.55 0.06 -2.66 3.84 0.26 0.18 114.94 120.96 1qni s ASN 348 Ca -0.02 0.66 -0.22 0.00 0.21 0.00 0.00 52.86 53.48 1qni s ASN 348 Cb -0.02 -2.29 -0.14 0.00 -0.55 0.00 0.00 41.25 38.25 1qni s ASN 348 CO -0.04 -0.16 1.56 0.40 -2.79 0.00 0.00 177.10 176.08 1qni h ILE 349 N 5.09 1.17 -0.50 -5.21 2.04 -1.82 -2.20 117.51 116.09 1qni h ILE 349 Ca -0.34 -0.52 0.07 0.00 1.00 0.00 0.00 64.86 65.07 1qni h ILE 349 Cb 1.16 1.37 -0.06 0.00 -0.74 0.00 0.00 36.82 38.55 1qni h ILE 349 CO 0.74 0.15 0.17 0.00 0.00 0.00 0.00 178.15 179.20 1qni h ALA 350 N 0.83 0.61 -0.12 1.87 0.00 -1.94 0.60 119.26 121.10 1qni h ALA 350 Ca 0.03 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1qni h ALA 350 Cb 0.21 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1qni h ALA 350 CO -0.00 -0.23 -0.06 -0.44 0.00 0.00 0.00 179.25 178.52 1qni h ASP 351 N 0.34 0.16 0.15 0.00 3.32 -1.90 -1.30 116.42 117.19 1qni h ASP 351 Ca 0.24 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 57.11 1qni h ASP 351 Cb 0.27 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1qni h ASP 351 CO -0.26 0.26 -0.60 0.00 -1.72 0.00 0.00 179.24 176.91 1qni h ALA 352 N 1.77 0.71 -0.31 3.45 0.00 -0.42 -0.29 119.26 124.17 1qni h ALA 352 Ca 0.04 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1qni h ALA 352 Cb 0.23 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1qni h ALA 352 CO 0.01 0.71 0.09 0.82 0.00 0.00 0.00 179.25 180.88 1qni h ILE 353 N 0.34 1.21 0.04 0.00 2.04 0.04 -1.77 117.51 119.39 1qni h ILE 353 Ca -0.00 -0.67 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 1qni h ILE 353 Cb 1.14 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 1qni h ILE 353 CO 0.11 0.22 -0.02 0.11 0.00 0.00 0.00 178.15 178.57 1qni h LYS 354 N 0.34 -0.05 -0.71 2.37 1.57 -1.16 -2.58 116.57 116.35 1qni h LYS 354 Ca 0.10 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.96 1qni h LYS 354 Cb 0.25 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 1qni h LYS 354 CO -0.00 0.17 0.47 1.25 -0.57 0.00 0.00 179.45 180.77 1qni h HIS 355 N -0.26 0.71 -0.20 -1.35 2.76 -1.04 0.15 115.15 115.92 1qni h HIS 355 Ca -0.00 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.10 1qni h HIS 355 Cb 0.24 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 1qni h HIS 355 CO -0.00 0.36 -0.26 -0.92 -1.30 0.00 0.00 177.93 175.81 1qni h TYR 356 N 0.69 0.41 0.00 5.26 3.20 -1.13 -2.87 116.97 122.53 1qni h TYR 356 Ca 0.32 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 62.10 1qni h TYR 356 Cb 0.34 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.51 1qni h TYR 356 CO -0.00 0.60 0.00 0.09 -1.64 0.00 0.00 178.16 177.21 1qni n ASN 357 N -4.13 0.32 0.00 -2.11 3.02 -0.01 -4.88 115.26 107.47 1qni n ASN 357 Ca -0.01 0.53 0.00 0.00 -0.03 0.00 0.00 54.58 55.08 1qni n ASN 357 Cb 0.39 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 1qni n ASN 357 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qni n GLY 358 N 1.33 0.86 3.35 7.41 0.00 -1.00 -5.10 105.19 112.03 1qni n GLY 358 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1qni n GLY 358 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qni n ASP 359 N 0.00 -2.77 0.00 1.61 8.00 -0.90 -4.98 116.55 117.50 1qni n ASP 359 Ca 0.00 -1.07 0.00 0.00 0.71 0.00 0.00 54.79 54.43 1qni n ASP 359 Cb 0.00 -0.99 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 1qni n ASP 359 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1qni n ARG 360 N -5.13 0.16 -1.54 -1.24 1.74 -1.26 -4.62 116.66 104.78 1qni n ARG 360 Ca 0.15 -0.39 -0.44 0.00 -0.77 0.00 0.00 57.85 56.40 1qni n ARG 360 Cb 0.59 -0.89 -0.01 0.00 -1.02 0.00 0.00 32.46 31.13 1qni n ARG 360 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1qni n VAL 361 N -0.14 2.03 -2.94 1.55 0.31 -1.26 -4.92 118.33 112.96 1qni n VAL 361 Ca 0.00 -0.50 -0.41 0.00 -0.01 0.00 0.00 64.34 63.42 1qni n VAL 361 Cb 0.02 -0.80 -0.04 0.00 -0.91 0.00 0.00 33.84 32.10 1qni n VAL 361 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1qni s ASN 362 N -0.74 7.07 -0.08 4.52 0.02 -1.26 -4.74 114.94 119.72 1qni s ASN 362 Ca 0.61 1.29 0.16 0.00 -1.02 0.00 0.00 52.86 53.91 1qni s ASN 362 Cb -0.67 -2.46 -0.24 0.00 0.02 0.00 0.00 41.25 37.90 1qni s ASN 362 CO 0.58 -0.20 0.24 0.00 0.02 0.00 0.00 177.10 177.74 1qni n TYR 363 N 4.08 0.00 -2.63 2.20 0.18 -1.26 -4.91 117.16 114.82 1qni n TYR 363 Ca 0.01 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.37 1qni n TYR 363 Cb 0.51 -0.56 -0.02 0.00 -0.38 0.00 0.00 39.34 38.88 1qni n TYR 363 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1qni s ILE 364 N -2.85 4.64 -0.21 -3.48 1.01 -1.26 -0.58 121.20 118.47 1qni s ILE 364 Ca -0.07 1.94 0.12 0.00 0.00 0.00 0.00 60.65 62.64 1qni s ILE 364 Cb 0.08 -4.25 -0.22 0.00 0.01 0.00 0.00 42.46 38.08 1qni s ILE 364 CO 0.69 -0.08 -0.01 0.54 0.00 0.00 0.00 174.94 176.08 1qni n ARG 365 N 5.68 0.68 -3.54 2.79 5.12 0.23 -4.97 116.66 122.65 1qni n ARG 365 Ca 0.11 0.06 -0.13 0.00 -1.93 0.00 0.00 57.85 55.96 1qni n ARG 365 Cb 0.47 -1.53 -0.05 0.00 -1.16 0.00 0.00 32.46 30.19 1qni n ARG 365 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1qni s GLN 366 N -2.51 0.82 -0.13 5.56 0.74 -1.00 -5.00 119.66 118.13 1qni s GLN 366 Ca -0.19 0.12 -0.01 0.00 0.05 0.00 0.00 55.36 55.33 1qni s GLN 366 Cb 0.07 0.38 0.04 0.00 1.10 0.00 0.00 33.01 34.60 1qni s GLN 366 CO 0.75 -0.27 -0.03 0.15 -0.55 0.00 0.00 175.29 175.33 1qni s LYS 367 N -1.44 1.13 -0.18 1.67 1.02 -1.26 -0.87 119.74 119.81 1qni s LYS 367 Ca -0.04 -0.28 -0.04 0.00 0.02 0.00 0.00 55.97 55.63 1qni s LYS 367 Cb -0.00 -1.65 -0.02 0.00 -0.52 0.00 0.00 37.83 35.64 1qni s LYS 367 CO 0.03 -0.39 -0.04 -1.17 -0.92 0.00 0.00 175.35 172.87 1qni s LEU 368 N 1.77 3.10 -0.20 3.17 0.20 -0.72 -4.96 118.68 121.05 1qni s LEU 368 Ca 0.03 -0.24 -0.29 0.00 0.69 0.00 0.00 54.13 54.32 1qni s LEU 368 Cb -0.14 -1.76 -0.04 0.00 -0.43 0.00 0.00 46.19 43.82 1qni s LEU 368 CO -0.07 0.09 1.73 -1.81 -0.29 0.00 0.00 176.35 176.00 1qni s ASP 369 N 0.84 6.26 0.10 3.68 1.01 -1.26 -1.34 116.67 125.95 1qni s ASP 369 Ca -0.01 1.76 -0.14 0.00 0.71 0.00 0.00 52.55 54.87 1qni s ASP 369 Cb -0.15 -2.53 -0.06 0.00 1.01 0.00 0.00 42.92 41.19 1qni s ASP 369 CO 0.02 -1.34 0.50 -0.69 0.21 0.00 0.00 175.17 173.87 1qni s VAL 370 N 5.55 4.92 -1.15 -1.27 1.01 -0.60 -4.94 120.40 123.91 1qni s VAL 370 Ca 0.77 0.80 -0.21 0.00 0.00 0.00 0.00 61.98 63.34 1qni s VAL 370 Cb -0.28 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.39 1qni s VAL 370 CO 0.31 0.35 1.71 -1.10 0.00 0.00 0.00 175.10 176.37 1qni s GLN 371 N -1.68 3.47 -0.04 2.72 1.11 -1.26 -4.54 119.66 119.44 1qni s GLN 371 Ca 0.33 -1.42 -0.03 0.00 0.01 0.00 0.00 55.36 54.26 1qni s GLN 371 Cb -0.16 -5.39 0.01 0.00 -1.01 0.00 0.00 33.01 26.47 1qni s GLN 371 CO 0.18 -2.64 0.06 0.66 0.01 0.00 0.00 175.29 173.55 1qni n TYR 372 N 10.12 -1.14 -3.01 0.91 4.01 -1.26 -4.70 117.16 122.09 1qni n TYR 372 Ca 0.43 0.66 -0.00 0.00 -0.16 0.00 0.00 57.90 58.82 1qni n TYR 372 Cb 0.48 -2.15 0.00 0.00 -0.31 0.00 0.00 39.34 37.36 1qni n TYR 372 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1qni n GLN 373 N 0.43 -1.52 -2.49 -0.72 3.00 -1.26 -2.81 117.38 112.01 1qni n GLN 373 Ca -0.10 1.55 -0.38 0.00 -0.01 0.00 0.00 57.00 58.07 1qni n GLN 373 Cb 0.15 -2.69 -0.04 0.00 0.00 0.00 0.00 30.24 27.66 1qni n GLN 373 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.06 174.92 1qni s PRO 374 N -1.26 4.34 0.00 -1.09 0.02 -1.26 0.15 135.00 135.89 1qni s PRO 374 Ca 0.00 1.66 0.00 0.00 0.02 0.00 0.00 61.00 62.68 1qni s PRO 374 Cb -0.00 -2.81 0.00 0.00 0.02 0.00 0.00 34.50 31.71 1qni s PRO 374 CO 0.31 -0.02 0.00 0.41 -0.33 0.00 0.00 177.00 177.37 1qni n GLY 375 N 0.72 0.96 3.78 0.52 0.00 -0.13 -4.23 105.19 106.80 1qni n GLY 375 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1qni n GLY 375 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qni s HIS 376 N 1.78 2.67 -0.02 1.61 3.76 -1.25 -4.29 115.29 119.54 1qni s HIS 376 Ca 0.00 1.54 0.03 0.00 -0.15 0.00 0.00 55.06 56.49 1qni s HIS 376 Cb 0.00 -3.13 -0.00 0.00 1.11 0.00 0.00 32.58 30.55 1qni s HIS 376 CO 0.00 -1.62 -0.12 1.21 -0.85 0.00 0.00 174.74 173.36 1qni s ASN 377 N -2.71 1.48 -0.16 1.40 2.47 -1.26 -2.05 114.94 114.11 1qni s ASN 377 Ca 0.66 -0.23 -0.07 0.00 0.42 0.00 0.00 52.86 53.63 1qni s ASN 377 Cb -0.19 -0.29 0.06 0.00 -1.45 0.00 0.00 41.25 39.37 1qni s ASN 377 CO 0.43 0.12 0.36 -2.28 -3.72 0.00 0.00 177.10 172.01 1qni s HIS 378 N -0.05 -0.57 -0.06 0.43 2.46 -0.47 -4.65 115.29 112.37 1qni s HIS 378 Ca 0.00 1.21 0.01 0.00 0.47 0.00 0.00 55.06 56.75 1qni s HIS 378 Cb -0.07 0.19 -0.03 0.00 -0.13 0.00 0.00 32.58 32.54 1qni s HIS 378 CO 0.00 -0.36 -0.06 0.00 -2.47 0.00 0.00 174.74 171.86 1qni s ALA 379 N 1.78 3.02 -0.10 1.58 0.00 -1.26 0.55 121.76 127.34 1qni s ALA 379 Ca -0.06 -0.89 -0.38 0.00 0.00 0.00 0.00 51.96 50.62 1qni s ALA 379 Cb -0.10 -1.25 -0.16 0.00 0.00 0.00 0.00 23.12 21.61 1qni s ALA 379 CO -0.11 0.58 1.58 -1.13 0.00 0.00 0.00 175.76 176.67 1qni n SER 380 N 2.15 2.16 -0.26 0.00 3.41 -0.02 -1.07 113.62 119.99 1qni n SER 380 Ca -0.18 1.09 -0.03 0.00 -0.26 0.00 0.00 58.87 59.49 1qni n SER 380 Cb 0.53 -1.18 -0.01 0.00 -0.26 0.00 0.00 64.21 63.28 1qni n SER 380 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1qni n LEU 381 N 4.17 0.30 -0.21 1.04 4.77 -1.26 -2.71 117.00 123.11 1qni n LEU 381 Ca 0.22 0.08 0.26 0.00 -0.03 0.00 0.00 56.01 56.55 1qni n LEU 381 Cb 0.17 -1.97 0.67 0.00 -2.33 0.00 0.00 43.42 39.95 1qni n LEU 381 CO 0.72 -0.72 1.25 0.00 -1.33 0.00 0.00 177.39 177.31 1qni h THR 382 N 0.00 0.57 -0.13 -5.08 1.03 -1.35 -0.31 112.91 107.64 1qni h THR 382 Ca -0.07 -0.04 0.00 0.00 -0.01 0.00 0.00 66.41 66.29 1qni h THR 382 Cb 0.77 0.45 0.00 0.00 -1.07 0.00 0.00 68.15 68.30 1qni h THR 382 CO 0.10 0.02 0.00 -0.62 -0.01 0.00 0.00 175.52 175.01 1qni n GLU 383 N -4.34 1.43 -4.53 0.00 1.02 -1.26 -4.35 120.64 108.61 1qni n GLU 383 Ca 0.19 -0.66 -0.25 0.00 -0.02 0.00 0.00 57.16 56.43 1qni n GLU 383 Cb 0.91 -1.28 -0.10 0.00 -0.02 0.00 0.00 31.44 30.95 1qni n GLU 383 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1qni s SER 384 N -1.36 3.01 0.48 1.62 1.04 -0.14 -4.91 113.70 113.45 1qni s SER 384 Ca 0.24 -1.42 0.20 0.00 0.48 0.00 0.00 55.95 55.45 1qni s SER 384 Cb 0.12 -0.09 1.20 0.00 0.10 0.00 0.00 66.02 67.36 1qni s SER 384 CO 0.18 -0.60 2.02 0.03 0.98 0.00 0.00 173.24 175.86 1qni h ARG 385 N 1.92 0.00 -0.63 4.02 3.08 -1.27 -2.93 114.38 118.57 1qni h ARG 385 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.63 1qni h ARG 385 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 1qni h ARG 385 CO 0.72 0.16 0.00 -0.25 -1.07 0.00 0.00 179.97 179.54 1qni n ASP 386 N -4.00 1.93 -4.43 7.04 8.00 -1.26 -4.93 116.55 118.91 1qni n ASP 386 Ca -0.02 -2.17 -0.60 0.00 0.71 0.00 0.00 54.79 52.71 1qni n ASP 386 Cb 0.25 -0.40 -0.10 0.00 -0.02 0.00 0.00 41.12 40.84 1qni n ASP 386 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qni n ALA 387 N 0.17 -0.03 1.24 2.24 0.00 -1.11 -4.80 120.51 118.22 1qni n ALA 387 Ca 0.08 0.24 0.13 0.00 0.00 0.00 0.00 53.44 53.88 1qni n ALA 387 Cb 0.40 -2.13 0.38 0.00 0.00 0.00 0.00 19.45 18.11 1qni n ALA 387 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1qni n ASP 388 N 6.91 0.99 -4.07 0.00 5.68 -1.10 -4.31 116.55 120.65 1qni n ASP 388 Ca 0.45 -0.86 -0.31 0.00 -0.50 0.00 0.00 54.79 53.58 1qni n ASP 388 Cb 0.01 0.13 -0.02 0.00 -1.14 0.00 0.00 41.12 40.10 1qni n ASP 388 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qni n GLY 389 N 1.34 -0.35 0.17 6.12 0.00 -0.91 -4.88 105.19 106.68 1qni n GLY 389 Ca 0.12 0.15 -0.14 0.00 0.00 0.00 0.00 46.02 46.15 1qni n GLY 389 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qni n LYS 390 N -4.43 0.42 -4.46 1.61 4.01 -1.26 -3.61 118.16 110.45 1qni n LYS 390 Ca -0.10 0.12 -0.24 0.00 -0.51 0.00 0.00 58.31 57.58 1qni n LYS 390 Cb 0.58 -1.30 -0.13 0.00 -0.51 0.00 0.00 35.03 33.67 1qni n LYS 390 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 1qni s TRP 391 N -2.35 1.67 -0.06 2.13 0.52 -1.26 -2.64 118.94 116.96 1qni s TRP 391 Ca -0.24 -0.39 0.01 0.00 0.02 0.00 0.00 56.10 55.50 1qni s TRP 391 Cb 0.07 -0.97 0.02 0.00 -1.15 0.00 0.00 33.47 31.44 1qni s TRP 391 CO 0.38 0.12 -0.05 -1.17 0.02 0.00 0.00 176.95 176.25 1qni s LEU 392 N -1.42 1.22 -0.11 2.99 2.96 -0.41 -0.84 118.68 123.07 1qni s LEU 392 Ca 0.06 -0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 53.80 1qni s LEU 392 Cb -0.09 -0.51 -0.03 0.00 0.50 0.00 0.00 46.19 46.06 1qni s LEU 392 CO 0.02 -0.07 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.24 1qni s VAL 393 N 1.13 3.78 -0.19 1.68 1.01 0.19 -0.08 120.40 127.92 1qni s VAL 393 Ca -0.07 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1qni s VAL 393 Cb -0.14 -2.60 0.02 0.00 0.00 0.00 0.00 36.38 33.66 1qni s VAL 393 CO -0.01 0.55 -0.19 -0.69 0.00 0.00 0.00 175.10 174.76 1qni s VAL 394 N -0.20 2.09 -0.50 2.92 1.01 -0.52 -1.37 120.40 123.83 1qni s VAL 394 Ca 0.03 -1.00 -0.14 0.00 0.00 0.00 0.00 61.98 60.88 1qni s VAL 394 Cb -0.13 -1.91 0.11 0.00 0.00 0.00 0.00 36.38 34.46 1qni s VAL 394 CO 0.03 0.49 0.42 -0.76 0.00 0.00 0.00 175.10 175.27 1qni s LEU 395 N 1.28 5.88 0.45 3.92 1.02 -0.87 -0.50 118.68 129.85 1qni s LEU 395 Ca 0.04 -1.72 -0.09 0.00 0.02 0.00 0.00 54.13 52.37 1qni s LEU 395 Cb -0.14 -2.13 -0.05 0.00 0.02 0.00 0.00 46.19 43.88 1qni s LEU 395 CO -0.12 -0.75 0.80 -0.44 0.02 0.00 0.00 176.35 175.86 1qni s SER 396 N 3.06 6.43 0.00 2.29 0.01 -0.13 -0.96 113.70 124.40 1qni s SER 396 Ca 0.04 1.12 0.23 0.00 1.31 0.00 0.00 55.95 58.65 1qni s SER 396 Cb -0.27 -2.32 0.15 0.00 0.21 0.00 0.00 66.02 63.78 1qni s SER 396 CO 0.03 -0.49 1.18 0.29 0.41 0.00 0.00 173.24 174.65 1qni n LYS 397 N -1.69 1.02 -4.28 12.44 4.76 0.12 -3.02 118.16 127.51 1qni n LYS 397 Ca 0.02 -0.80 -0.17 0.00 -2.87 0.00 0.00 58.31 54.49 1qni n LYS 397 Cb 0.54 -1.48 -0.14 0.00 -1.84 0.00 0.00 35.03 32.11 1qni n LYS 397 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1qni s PHE 398 N -2.53 0.73 -0.10 2.13 0.08 -1.12 -4.88 117.98 112.29 1qni s PHE 398 Ca 0.19 -0.18 0.02 0.00 0.12 0.00 0.00 56.93 57.08 1qni s PHE 398 Cb 0.18 -0.46 -0.03 0.00 -0.57 0.00 0.00 43.02 42.14 1qni s PHE 398 CO 0.59 -0.01 0.10 -1.13 -0.10 0.00 0.00 175.22 174.66 1qni n SER 399 N 2.68 0.66 0.00 1.36 3.41 -1.24 -4.46 113.62 116.03 1qni n SER 399 Ca -0.14 -0.49 0.00 0.00 -0.26 0.00 0.00 58.87 57.98 1qni n SER 399 Cb 0.57 1.01 0.00 0.00 -0.26 0.00 0.00 64.21 65.53 1qni n SER 399 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1qni n LYS 400 N -1.12 0.00 -0.16 4.33 5.02 -1.26 0.35 118.16 125.31 1qni n LYS 400 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 1qni n LYS 400 Cb 0.04 0.00 0.23 0.00 -0.02 0.00 0.00 35.03 35.28 1qni n LYS 400 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1qni n ASP 401 N 2.56 3.22 0.05 4.39 5.75 -1.26 -4.56 116.55 126.70 1qni n ASP 401 Ca 0.00 -1.96 0.08 0.00 -0.01 0.00 0.00 54.79 52.90 1qni n ASP 401 Cb 0.00 -0.21 0.52 0.00 -1.03 0.00 0.00 41.12 40.40 1qni n ASP 401 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1qni h ARG 402 N 4.24 0.32 -4.90 0.11 2.47 -0.52 -3.45 114.38 112.66 1qni h ARG 402 Ca 0.00 -0.02 -0.33 0.00 -1.26 0.00 0.00 59.98 58.37 1qni h ARG 402 Cb 0.93 -0.07 -0.14 0.00 -1.65 0.00 0.00 29.97 29.03 1qni h ARG 402 CO 0.00 0.21 -0.64 -0.06 0.56 0.00 0.00 179.97 180.04 1qni s PHE 403 N -5.32 1.42 0.44 3.04 0.08 -1.26 -5.12 117.98 111.25 1qni s PHE 403 Ca -0.07 -1.05 -0.22 0.00 0.12 0.00 0.00 56.93 55.70 1qni s PHE 403 Cb 0.18 -0.82 -0.12 0.00 -0.57 0.00 0.00 43.02 41.69 1qni s PHE 403 CO 0.72 -0.21 0.62 1.28 -0.10 0.00 0.00 175.22 177.52 1qni n LEU 404 N -0.37 0.49 -4.76 -0.37 4.77 -1.26 -4.86 117.00 110.63 1qni n LEU 404 Ca -0.04 0.91 -0.41 0.00 -0.03 0.00 0.00 56.01 56.44 1qni n LEU 404 Cb 0.64 -1.16 -0.03 0.00 -2.33 0.00 0.00 43.42 40.55 1qni n LEU 404 CO 0.36 -2.69 0.92 -2.16 -1.33 0.00 0.00 177.39 172.49 1qni s PRO 405 N -1.71 4.45 -0.03 3.23 0.04 -1.26 -4.93 135.00 134.79 1qni s PRO 405 Ca 0.64 2.08 0.11 0.00 0.04 0.00 0.00 61.00 63.87 1qni s PRO 405 Cb -0.58 -3.11 0.19 0.00 0.04 0.00 0.00 34.50 31.04 1qni s PRO 405 CO 0.57 -0.07 1.08 1.33 0.04 0.00 0.00 177.00 179.96 1qni n VAL 406 N 1.01 0.38 0.00 -0.36 0.24 -1.26 -5.14 118.33 113.20 1qni n VAL 406 Ca -0.00 -0.79 0.00 0.00 -2.04 0.00 0.00 64.34 61.51 1qni n VAL 406 Cb 0.43 0.51 0.00 0.00 -1.47 0.00 0.00 33.84 33.30 1qni n VAL 406 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qni n GLY 407 N -0.10 -1.37 0.26 7.63 0.00 -1.26 -4.66 105.19 105.68 1qni n GLY 407 Ca 0.05 -2.22 0.07 0.00 0.00 0.00 0.00 46.02 43.92 1qni n GLY 407 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1qni h PRO 408 N 4.64 0.08 -5.96 1.61 0.11 -2.04 -3.39 132.00 127.05 1qni h PRO 408 Ca 0.00 -0.01 -0.60 0.00 0.11 0.00 0.00 66.00 65.50 1qni h PRO 408 Cb 0.00 -0.02 -0.10 0.00 0.11 0.00 0.00 31.00 31.00 1qni h PRO 408 CO 0.00 0.10 0.52 -1.17 -0.21 0.00 0.00 178.00 177.23 1qni s LEU 409 N -9.03 4.05 0.19 2.35 0.20 -1.26 -5.04 118.68 110.14 1qni s LEU 409 Ca -0.05 0.57 0.04 0.00 0.69 0.00 0.00 54.13 55.38 1qni s LEU 409 Cb 0.17 -3.18 -0.03 0.00 -0.43 0.00 0.00 46.19 42.71 1qni s LEU 409 CO 0.69 -0.78 0.27 -1.00 -0.29 0.00 0.00 176.35 175.24 1qni s HIS 410 N 3.28 3.37 0.78 5.38 3.76 -1.26 -4.75 115.29 125.85 1qni s HIS 410 Ca 0.36 0.03 -0.11 0.00 -0.15 0.00 0.00 55.06 55.19 1qni s HIS 410 Cb -0.13 -1.58 0.08 0.00 1.11 0.00 0.00 32.58 32.06 1qni s HIS 410 CO 0.17 0.50 1.14 -1.25 -0.85 0.00 0.00 174.74 174.44 1qni s PRO 411 N -3.49 2.01 0.70 8.40 0.04 -1.26 -4.94 135.00 136.46 1qni s PRO 411 Ca 0.34 0.01 -0.02 0.00 0.04 0.00 0.00 61.00 61.36 1qni s PRO 411 Cb -0.10 -2.01 0.10 0.00 0.04 0.00 0.00 34.50 32.53 1qni s PRO 411 CO 0.27 -1.51 0.97 -1.21 0.04 0.00 0.00 177.00 175.57 1qni s GLU 412 N -5.49 1.87 -0.20 4.56 0.41 0.10 -3.64 118.70 116.31 1qni s GLU 412 Ca 0.62 -0.86 -0.04 0.00 -0.41 0.00 0.00 54.97 54.28 1qni s GLU 412 Cb -0.11 -2.31 0.07 0.00 -1.78 0.00 0.00 34.13 30.00 1qni s GLU 412 CO 0.48 -1.33 0.07 1.21 -0.49 0.00 0.00 175.26 175.20 1qni s ASN 413 N -4.65 2.82 -0.35 -0.19 2.47 -1.17 -2.00 114.94 111.88 1qni s ASN 413 Ca 0.64 -0.83 -0.12 0.00 0.42 0.00 0.00 52.86 52.97 1qni s ASN 413 Cb -0.07 -0.46 0.00 0.00 -1.45 0.00 0.00 41.25 39.28 1qni s ASN 413 CO 0.44 -0.34 0.21 -1.81 -3.72 0.00 0.00 177.10 171.87 1qni s ASP 414 N 1.97 5.81 -0.15 -4.21 1.01 -0.35 -0.96 116.67 119.79 1qni s ASP 414 Ca 0.02 -0.65 -0.08 0.00 0.71 0.00 0.00 52.55 52.54 1qni s ASP 414 Cb -0.17 -2.07 -0.04 0.00 1.01 0.00 0.00 42.92 41.66 1qni s ASP 414 CO -0.12 -0.28 0.12 -1.10 0.21 0.00 0.00 175.17 174.00 1qni s GLN 415 N 1.64 3.75 -0.25 8.23 -0.21 0.34 -0.90 119.66 132.25 1qni s GLN 415 Ca 0.04 -0.21 -0.19 0.00 0.02 0.00 0.00 55.36 55.03 1qni s GLN 415 Cb -0.18 -3.25 -0.02 0.00 1.00 0.00 0.00 33.01 30.56 1qni s GLN 415 CO 0.08 0.54 0.56 -1.17 -2.12 0.00 0.00 175.29 173.19 1qni s LEU 416 N -0.35 4.06 -0.09 2.90 2.96 0.19 -1.44 118.68 126.91 1qni s LEU 416 Ca 0.11 0.62 0.03 0.00 -0.22 0.00 0.00 54.13 54.67 1qni s LEU 416 Cb -0.12 -2.75 -0.01 0.00 0.50 0.00 0.00 46.19 43.81 1qni s LEU 416 CO 0.01 -0.31 -0.19 -0.63 -1.32 0.00 0.00 176.35 173.91 1qni s ILE 417 N 2.33 2.55 -0.25 6.68 1.01 0.88 -0.10 121.20 134.31 1qni s ILE 417 Ca 0.24 -0.86 -0.27 0.00 0.00 0.00 0.00 60.65 59.76 1qni s ILE 417 Cb -0.16 -2.01 0.00 0.00 0.01 0.00 0.00 42.46 40.31 1qni s ILE 417 CO 0.09 0.55 0.93 -0.62 0.00 0.00 0.00 174.94 175.89 1qni s ASP 418 N 0.06 6.93 -0.10 3.58 -1.08 0.63 -1.29 116.67 125.41 1qni s ASP 418 Ca -0.08 1.15 0.14 0.00 -0.52 0.00 0.00 52.55 53.25 1qni s ASP 418 Cb -0.15 -2.48 0.23 0.00 -1.46 0.00 0.00 42.92 39.06 1qni s ASP 418 CO 0.05 -0.61 1.12 2.30 0.52 0.00 0.00 175.17 178.56 1qni n ILE 419 N 5.34 1.44 0.33 4.11 -5.35 -1.08 -1.84 119.36 122.31 1qni n ILE 419 Ca 0.08 -1.77 0.15 0.00 -0.27 0.00 0.00 62.75 60.94 1qni n ILE 419 Cb 0.47 -0.05 0.55 0.00 -1.74 0.00 0.00 39.64 38.87 1qni n ILE 419 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1qni h SER 420 N 0.05 0.00 -2.79 7.28 4.64 -1.61 -3.43 113.55 117.68 1qni h SER 420 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qni h SER 420 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1qni h SER 420 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1qni n GLY 421 N 0.23 2.98 0.15 -0.77 0.00 -1.26 -5.00 105.19 101.52 1qni n GLY 421 Ca 0.02 -2.10 -0.11 0.00 0.00 0.00 0.00 46.02 43.83 1qni n GLY 421 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1qni h GLU 422 N 0.00 0.31 -6.23 1.61 4.81 -1.96 -3.45 114.58 109.67 1qni h GLU 422 Ca 0.00 -0.33 -0.66 0.00 -0.13 0.00 0.00 59.36 58.24 1qni h GLU 422 Cb 0.00 0.09 -0.14 0.00 0.63 0.00 0.00 28.75 29.33 1qni h GLU 422 CO 0.00 1.02 -0.66 -1.21 -0.73 0.00 0.00 179.01 177.43 1qni s GLU 423 N -3.28 2.67 0.04 1.92 2.02 -1.26 -5.02 118.70 115.79 1qni s GLU 423 Ca -0.04 -0.69 -0.30 0.00 0.02 0.00 0.00 54.97 53.95 1qni s GLU 423 Cb 0.10 -2.60 -0.04 0.00 0.10 0.00 0.00 34.13 31.68 1qni s GLU 423 CO 0.85 0.60 1.01 -1.64 0.02 0.00 0.00 175.26 176.10 1qni s MET 424 N -1.71 4.57 -0.09 1.61 -1.94 -1.26 -4.69 119.30 115.79 1qni s MET 424 Ca 0.20 1.49 0.00 0.00 -1.71 0.00 0.00 55.69 55.68 1qni s MET 424 Cb -0.11 -3.41 0.02 0.00 2.01 0.00 0.00 34.83 33.33 1qni s MET 424 CO 0.12 -0.02 -0.08 0.15 -0.01 0.00 0.00 175.02 175.18 1qni s LYS 425 N 0.72 1.43 0.21 2.03 1.02 -0.77 -4.97 119.74 119.40 1qni s LYS 425 Ca 0.52 -0.25 -0.30 0.00 0.02 0.00 0.00 55.97 55.96 1qni s LYS 425 Cb -0.23 -1.43 -0.09 0.00 -0.52 0.00 0.00 37.83 35.55 1qni s LYS 425 CO 0.29 -0.19 1.43 -1.17 -0.92 0.00 0.00 175.35 174.78 1qni s LEU 426 N 1.44 4.39 -0.02 3.17 2.96 -1.26 -0.27 118.68 129.09 1qni s LEU 426 Ca -0.01 2.55 0.01 0.00 -0.22 0.00 0.00 54.13 56.47 1qni s LEU 426 Cb -0.13 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 42.93 1qni s LEU 426 CO -0.05 -0.68 -0.01 0.52 -1.32 0.00 0.00 176.35 174.82 1qni n VAL 427 N 2.88 0.10 -3.70 1.68 0.31 0.85 -4.88 118.33 115.57 1qni n VAL 427 Ca 0.08 -0.05 -0.14 0.00 -0.01 0.00 0.00 64.34 64.22 1qni n VAL 427 Cb 0.41 -0.78 -0.09 0.00 -0.91 0.00 0.00 33.84 32.47 1qni n VAL 427 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1qni s HIS 428 N -2.04 -0.42 -0.31 3.52 5.65 -1.00 -4.97 115.29 115.73 1qni s HIS 428 Ca -0.02 0.89 -0.07 0.00 0.25 0.00 0.00 55.06 56.12 1qni s HIS 428 Cb 0.01 0.18 0.02 0.00 -1.18 0.00 0.00 32.58 31.61 1qni s HIS 428 CO 0.05 -0.35 0.09 -0.51 -0.65 0.00 0.00 174.74 173.38 1qni s ASP 429 N -0.50 5.19 -0.35 9.88 1.11 -1.26 -0.64 116.67 130.11 1qni s ASP 429 Ca -0.06 -0.87 -0.07 0.00 0.18 0.00 0.00 52.55 51.73 1qni s ASP 429 Cb -0.03 -1.88 0.05 0.00 1.07 0.00 0.00 42.92 42.13 1qni s ASP 429 CO 0.03 -0.24 0.13 -0.83 1.18 0.00 0.00 175.17 175.44 1qni s GLY 430 N 1.46 1.87 0.23 0.21 0.00 -0.08 -4.98 107.32 106.03 1qni s GLY 430 Ca 0.01 -1.83 -0.30 0.00 0.00 0.00 0.00 44.72 42.60 1qni s GLY 430 CO 0.03 0.81 1.30 2.56 0.00 0.00 0.00 173.10 177.80 1qni s PRO 431 N 1.40 4.39 0.05 2.90 0.04 -1.26 -1.21 135.00 141.31 1qni s PRO 431 Ca -0.01 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.11 1qni s PRO 431 Cb -0.20 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 31.14 1qni s PRO 431 CO 0.02 -0.22 -0.04 0.99 0.04 0.00 0.00 177.00 177.79 1qni s THR 432 N -0.17 0.28 0.52 1.26 2.01 -0.85 -4.94 115.64 113.76 1qni s THR 432 Ca 0.55 -1.46 0.05 0.00 0.31 0.00 0.00 61.69 61.14 1qni s THR 432 Cb -0.37 -1.04 0.04 0.00 0.01 0.00 0.00 72.50 71.15 1qni s THR 432 CO 0.41 -0.76 0.72 -0.47 -0.69 0.00 0.00 174.62 173.84 1qni s TYR 433 N -2.82 2.46 -0.10 4.92 5.04 -1.26 0.02 117.35 125.61 1qni s TYR 433 Ca -0.02 -0.31 -0.01 0.00 -2.44 0.00 0.00 57.07 54.30 1qni s TYR 433 Cb -0.00 -2.55 0.00 0.00 0.35 0.00 0.00 41.96 39.76 1qni s TYR 433 CO -0.05 -0.84 0.07 0.00 -1.34 0.00 0.00 175.55 173.39 1qni n ALA 434 N -2.19 -1.21 -0.37 3.97 0.00 -1.26 -4.06 120.51 115.38 1qni n ALA 434 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1qni n ALA 434 Cb 0.60 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1qni n ALA 434 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1qni n GLU 435 N -0.87 0.00 -1.80 0.00 2.13 -1.26 -4.12 120.64 114.72 1qni n GLU 435 Ca -0.03 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.48 1qni n GLU 435 Cb 0.08 0.00 0.02 0.00 0.27 0.00 0.00 31.44 31.81 1qni n GLU 435 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1qni s PRO 436 N 0.00 3.41 0.00 5.31 0.04 -1.26 -3.46 135.00 139.05 1qni s PRO 436 Ca 0.00 0.79 0.00 0.00 0.04 0.00 0.00 61.00 61.83 1qni s PRO 436 Cb 0.00 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1qni s PRO 436 CO 0.00 -0.72 0.00 0.72 0.04 0.00 0.00 177.00 177.04 1qni n HIS 437 N -2.85 0.00 -3.35 0.56 8.25 -1.26 -4.90 115.22 111.66 1qni n HIS 437 Ca 0.06 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.33 1qni n HIS 437 Cb 0.54 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.63 1qni n HIS 437 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1qni s ASP 438 N 0.20 5.29 0.20 0.41 2.15 -1.03 -4.07 116.67 119.83 1qni s ASP 438 Ca 0.00 -0.61 -0.17 0.00 0.43 0.00 0.00 52.55 52.20 1qni s ASP 438 Cb 0.00 -0.61 0.02 0.00 -0.30 0.00 0.00 42.92 42.03 1qni s ASP 438 CO 0.00 -0.69 0.51 0.00 -0.17 0.00 0.00 175.17 174.82 1qni s ILE 440 N -3.89 -0.05 -0.08 0.00 2.07 -0.78 -4.89 121.20 113.59 1qni s ILE 440 Ca 0.11 0.17 -0.05 0.00 -1.41 0.00 0.00 60.65 59.47 1qni s ILE 440 Cb -0.01 -0.14 -0.04 0.00 0.13 0.00 0.00 42.46 42.40 1qni s ILE 440 CO -0.01 0.07 0.14 -0.76 -1.91 0.00 0.00 174.94 172.47 1qni s LEU 441 N 0.95 4.30 0.05 8.50 1.43 -1.26 -1.03 118.68 131.62 1qni s LEU 441 Ca -0.08 0.39 0.03 0.00 -1.03 0.00 0.00 54.13 53.45 1qni s LEU 441 Cb -0.10 -2.24 -0.02 0.00 0.03 0.00 0.00 46.19 43.86 1qni s LEU 441 CO -0.04 0.35 -0.10 0.68 0.23 0.00 0.00 176.35 177.48 1qni s VAL 442 N -1.12 0.71 0.41 -1.59 -7.23 -0.69 -4.05 120.40 106.83 1qni s VAL 442 Ca 0.19 -1.08 -0.26 0.00 -1.81 0.00 0.00 61.98 59.03 1qni s VAL 442 Cb -0.12 -0.73 -0.08 0.00 0.56 0.00 0.00 36.38 36.00 1qni s VAL 442 CO 0.09 -0.29 1.27 -0.13 -0.31 0.00 0.00 175.10 175.73 1qni s ARG 443 N -1.50 3.95 0.37 4.82 0.52 -1.26 -0.63 118.95 125.22 1qni s ARG 443 Ca -0.06 2.08 0.19 0.00 -0.52 0.00 0.00 55.73 57.41 1qni s ARG 443 Cb -0.09 -2.71 1.16 0.00 0.52 0.00 0.00 34.95 33.83 1qni s ARG 443 CO 0.01 -0.48 1.68 -0.09 0.02 0.00 0.00 175.30 176.43 1qni h ARG 444 N 2.60 0.28 -0.07 3.54 2.43 -1.28 0.15 114.38 122.04 1qni h ARG 444 Ca -0.49 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1qni h ARG 444 Cb 1.25 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1qni h ARG 444 CO 0.62 0.19 0.00 -0.40 -1.51 0.00 0.00 179.97 178.87 1qni n ASP 445 N -4.88 0.85 -0.69 -3.80 5.68 -1.26 -3.62 116.55 108.81 1qni n ASP 445 Ca 0.32 -1.52 0.13 0.00 -0.50 0.00 0.00 54.79 53.22 1qni n ASP 445 Cb 1.06 -0.05 0.34 0.00 -1.14 0.00 0.00 41.12 41.34 1qni n ASP 445 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1qni n GLN 446 N -0.24 1.95 -5.15 0.11 6.02 0.54 -4.83 117.38 115.78 1qni n GLN 446 Ca 0.16 -1.39 -0.30 0.00 -0.01 0.00 0.00 57.00 55.46 1qni n GLN 446 Cb 0.21 -1.47 -0.16 0.00 1.02 0.00 0.00 30.24 29.84 1qni n GLN 446 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1qni s ILE 447 N -1.96 1.87 -0.58 5.09 -1.09 -1.24 -3.61 121.20 119.69 1qni s ILE 447 Ca 0.34 -0.98 0.03 0.00 -2.23 0.00 0.00 60.65 57.82 1qni s ILE 447 Cb 0.20 -1.58 0.14 0.00 -1.58 0.00 0.00 42.46 39.65 1qni s ILE 447 CO 0.32 0.53 0.34 -0.54 -1.23 0.00 0.00 174.94 174.35 1qni s LYS 448 N -0.21 2.17 0.44 2.79 1.02 -1.26 -5.04 119.74 119.65 1qni s LYS 448 Ca -0.01 -2.78 -0.21 0.00 0.02 0.00 0.00 55.97 52.99 1qni s LYS 448 Cb -0.12 -3.40 -0.10 0.00 -0.52 0.00 0.00 37.83 33.69 1qni s LYS 448 CO 0.02 -1.16 0.98 0.99 -0.92 0.00 0.00 175.35 175.26 1qni s THR 449 N -0.54 4.19 0.23 2.17 2.01 -1.26 -4.53 115.64 117.91 1qni s THR 449 Ca 0.19 1.38 0.07 0.00 0.31 0.00 0.00 61.69 63.64 1qni s THR 449 Cb -0.21 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 1qni s THR 449 CO -0.04 -0.28 0.11 -0.54 -0.69 0.00 0.00 174.62 173.18 1qni s LYS 450 N -3.16 2.70 -0.12 4.92 1.02 -0.49 -5.05 119.74 119.56 1qni s LYS 450 Ca 0.63 -1.11 0.09 0.00 0.02 0.00 0.00 55.97 55.60 1qni s LYS 450 Cb -0.12 -2.46 -0.13 0.00 -0.52 0.00 0.00 37.83 34.60 1qni s LYS 450 CO 0.16 0.42 0.01 1.17 -0.92 0.00 0.00 175.35 176.18 1qni n LYS 451 N -0.81 1.80 -4.10 1.68 3.00 -1.26 -4.87 118.16 113.61 1qni n LYS 451 Ca -0.08 0.01 -0.14 0.00 -0.00 0.00 0.00 58.31 58.10 1qni n LYS 451 Cb 0.57 -1.30 -0.12 0.00 0.00 0.00 0.00 35.03 34.19 1qni n LYS 451 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1qni s ILE 452 N -2.28 0.65 0.42 3.15 -5.25 -1.26 -4.75 121.20 111.87 1qni s ILE 452 Ca -0.08 -1.06 -0.23 0.00 -0.99 0.00 0.00 60.65 58.29 1qni s ILE 452 Cb 0.04 -0.69 -0.09 0.00 2.95 0.00 0.00 42.46 44.67 1qni s ILE 452 CO 0.45 -0.31 1.05 -0.31 -1.79 0.00 0.00 174.94 174.03 1qni s TYR 453 N -1.26 3.20 0.10 1.37 1.51 -0.62 -5.04 117.35 116.60 1qni s TYR 453 Ca -0.07 1.63 -0.17 0.00 -1.01 0.00 0.00 57.07 57.44 1qni s TYR 453 Cb -0.09 -3.12 -0.07 0.00 -0.11 0.00 0.00 41.96 38.57 1qni s TYR 453 CO 0.01 -0.69 0.56 -1.21 -1.11 0.00 0.00 175.55 173.10 1qni s GLU 454 N -2.66 4.11 0.12 -0.62 2.02 -1.26 -4.74 118.70 115.66 1qni s GLU 454 Ca 0.60 0.64 0.14 0.00 0.02 0.00 0.00 54.97 56.36 1qni s GLU 454 Cb -0.21 -3.12 0.64 0.00 0.10 0.00 0.00 34.13 31.54 1qni s GLU 454 CO 0.26 0.58 1.43 0.54 0.02 0.00 0.00 175.26 178.09 1qni n ARG 455 N 1.39 0.07 -0.60 1.61 5.12 -1.26 -1.72 116.66 121.27 1qni n ARG 455 Ca -0.09 0.43 0.08 0.00 -1.93 0.00 0.00 57.85 56.34 1qni n ARG 455 Cb 0.51 -1.67 0.32 0.00 -1.16 0.00 0.00 32.46 30.46 1qni n ARG 455 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1qni n ASN 456 N -1.81 4.59 -4.77 0.55 2.04 -1.26 -5.01 115.26 109.59 1qni n ASN 456 Ca 0.01 -2.70 -0.41 0.00 -0.44 0.00 0.00 54.58 51.04 1qni n ASN 456 Cb 0.11 -0.56 -0.02 0.00 -2.53 0.00 0.00 39.78 36.78 1qni n ASN 456 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1qni s ASP 457 N -1.19 6.63 0.35 0.53 -1.08 -0.70 -4.91 116.67 116.30 1qni s ASP 457 Ca 0.47 2.79 0.07 0.00 -0.52 0.00 0.00 52.55 55.36 1qni s ASP 457 Cb 0.34 -2.65 0.75 0.00 -1.46 0.00 0.00 42.92 39.90 1qni s ASP 457 CO 0.17 -0.66 1.92 -0.65 0.52 0.00 0.00 175.17 176.46 1qni h PRO 458 N 3.51 0.73 0.00 4.34 0.11 -1.95 -2.77 132.00 135.97 1qni h PRO 458 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1qni h PRO 458 Cb 1.23 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1qni h PRO 458 CO 0.67 0.49 0.17 0.98 -0.21 0.00 0.00 178.00 180.10 1qni n TYR 459 N -4.51 0.00 -2.29 0.65 9.36 -1.26 -1.75 117.16 117.36 1qni n TYR 459 Ca 0.14 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.35 1qni n TYR 459 Cb 0.33 -0.32 -0.02 0.00 -0.63 0.00 0.00 39.34 38.70 1qni n TYR 459 CO 0.00 0.00 0.00 1.97 0.22 0.00 0.00 176.86 179.05 1qni n PHE 460 N -1.32 -0.02 0.15 2.98 1.16 -1.05 -4.90 117.46 114.46 1qni n PHE 460 Ca 0.00 -0.59 0.06 0.00 -1.87 0.00 0.00 57.45 55.05 1qni n PHE 460 Cb 0.17 0.19 0.52 0.00 -1.61 0.00 0.00 39.48 38.75 1qni n PHE 460 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1qni h ALA 461 N 0.61 1.81 -0.06 1.98 0.00 -1.32 -1.22 119.26 121.06 1qni h ALA 461 Ca -0.38 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.34 1qni h ALA 461 Cb 1.64 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1qni h ALA 461 CO -0.08 0.16 -0.55 0.66 0.00 0.00 0.00 179.25 179.43 1qni h SER 462 N 0.21 0.19 -0.13 0.00 4.64 -1.91 -1.98 113.55 114.58 1qni h SER 462 Ca 0.05 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 1qni h SER 462 Cb 0.06 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1qni h SER 462 CO -0.00 0.70 0.03 0.00 -0.87 0.00 0.00 176.83 176.69 1qni h ARG 464 N 0.00 0.00 -0.46 0.00 0.11 -1.50 -1.18 114.38 111.35 1qni h ARG 464 Ca 0.04 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.08 1qni h ARG 464 Cb 0.25 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.31 1qni h ARG 464 CO 0.00 0.28 0.15 0.00 0.10 0.00 0.00 179.97 180.50 1qni h ALA 465 N 1.72 0.61 0.00 0.08 0.00 -1.00 0.82 119.26 121.49 1qni h ALA 465 Ca -0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1qni h ALA 465 Cb 0.84 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1qni h ALA 465 CO 0.04 0.25 -0.59 0.37 0.00 0.00 0.00 179.25 179.32 1qni h GLN 466 N 0.61 0.00 -0.28 0.00 5.75 -1.14 -2.95 115.11 117.10 1qni h GLN 466 Ca 0.15 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.58 1qni h GLN 466 Cb 0.26 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 1qni h GLN 466 CO -0.01 0.59 -0.08 0.00 -2.65 0.00 0.00 178.83 176.68 1qni h ALA 467 N 1.41 0.39 -0.70 3.38 0.00 -0.66 -2.15 119.26 120.93 1qni h ALA 467 Ca -0.01 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.68 1qni h ALA 467 Cb 1.09 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 1qni h ALA 467 CO 0.08 0.22 0.40 1.49 0.00 0.00 0.00 179.25 181.44 1qni h GLU 468 N 0.31 0.71 -0.80 0.00 4.57 -0.78 0.14 114.58 118.73 1qni h GLU 468 Ca 0.07 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.16 1qni h GLU 468 Cb 0.57 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.97 1qni h GLU 468 CO 0.03 0.47 0.32 0.87 -1.18 0.00 0.00 179.01 179.52 1qni h LYS 469 N 0.73 1.19 -0.03 1.92 1.57 -1.36 -1.66 116.57 118.94 1qni h LYS 469 Ca 0.32 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1qni h LYS 469 Cb 0.20 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1qni h LYS 469 CO -0.19 0.96 0.00 -0.25 -0.57 0.00 0.00 179.45 179.40 1qni n ASP 470 N -4.29 0.62 -2.69 0.86 8.00 -0.64 -4.91 116.55 113.50 1qni n ASP 470 Ca 0.07 -1.32 -0.17 0.00 0.71 0.00 0.00 54.79 54.08 1qni n ASP 470 Cb 0.18 -0.01 0.05 0.00 -0.02 0.00 0.00 41.12 41.32 1qni n ASP 470 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qni n GLY 471 N 1.02 -0.15 3.54 0.44 0.00 0.26 -5.02 105.19 105.28 1qni n GLY 471 Ca 0.20 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1qni n GLY 471 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qni s VAL 472 N -3.20 3.23 -0.45 1.61 -7.23 0.09 -5.01 120.40 109.44 1qni s VAL 472 Ca 0.40 -1.15 -0.08 0.00 -1.81 0.00 0.00 61.98 59.33 1qni s VAL 472 Cb -0.18 -2.45 0.11 0.00 0.56 0.00 0.00 36.38 34.42 1qni s VAL 472 CO 0.50 0.24 0.30 -0.89 -0.31 0.00 0.00 175.10 174.93 1qni s THR 473 N -1.08 4.08 0.38 5.32 2.01 -1.26 -4.33 115.64 120.76 1qni s THR 473 Ca 0.18 -1.73 0.19 0.00 0.31 0.00 0.00 61.69 60.65 1qni s THR 473 Cb -0.11 -3.66 0.38 0.00 0.01 0.00 0.00 72.50 69.13 1qni s THR 473 CO 0.10 -0.70 1.67 -0.07 -0.69 0.00 0.00 174.62 174.93 1qni h LEU 474 N 8.39 0.43 0.00 4.42 3.38 -1.96 0.62 115.31 130.59 1qni h LEU 474 Ca -0.20 0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1qni h LEU 474 Cb 1.07 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1qni h LEU 474 CO 0.81 -0.11 0.00 -0.62 0.09 0.00 0.00 178.44 178.62 1qni n GLU 475 N -4.88 0.59 0.00 1.13 4.71 -1.26 -4.29 120.64 116.64 1qni n GLU 475 Ca 0.32 0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.49 1qni n GLU 475 Cb 1.09 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 30.02 1qni n GLU 475 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1qni n SER 476 N -1.15 0.00 -4.86 1.62 3.41 -0.36 -5.02 113.62 107.26 1qni n SER 476 Ca 0.16 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.46 1qni n SER 476 Cb 0.15 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.06 1qni n SER 476 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1qni s ASP 477 N 0.00 6.62 -0.44 4.04 1.01 0.07 -5.00 116.67 122.97 1qni s ASP 477 Ca 0.00 1.34 0.05 0.00 0.71 0.00 0.00 52.55 54.65 1qni s ASP 477 Cb 0.00 -2.41 0.18 0.00 1.01 0.00 0.00 42.92 41.70 1qni s ASP 477 CO 0.00 -0.44 0.44 0.59 0.21 0.00 0.00 175.17 175.97 1qni n ASN 478 N -1.22 -1.24 -4.42 0.27 3.02 -1.25 -4.17 115.26 106.24 1qni n ASN 478 Ca 0.04 -2.51 -0.22 0.00 -0.03 0.00 0.00 54.58 51.86 1qni n ASN 478 Cb 0.54 0.03 -0.10 0.00 -0.61 0.00 0.00 39.78 39.64 1qni n ASN 478 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1qni s LYS 479 N 0.25 1.54 -0.14 3.52 1.02 -1.03 -4.98 119.74 119.93 1qni s LYS 479 Ca 0.32 -1.70 0.02 0.00 0.02 0.00 0.00 55.97 54.63 1qni s LYS 479 Cb 0.03 -1.50 0.00 0.00 -0.52 0.00 0.00 37.83 35.84 1qni s LYS 479 CO -0.16 0.27 -0.20 0.08 -0.92 0.00 0.00 175.35 174.42 1qni s VAL 480 N -2.70 2.33 -0.16 3.17 1.01 -1.26 -1.06 120.40 121.73 1qni s VAL 480 Ca 0.27 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1qni s VAL 480 Cb -0.03 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.41 1qni s VAL 480 CO 0.12 0.54 -0.16 -0.63 0.00 0.00 0.00 175.10 174.97 1qni s ILE 481 N 0.69 2.57 -0.17 2.22 1.01 0.11 -4.99 121.20 122.64 1qni s ILE 481 Ca -0.09 -0.80 -0.09 0.00 0.00 0.00 0.00 60.65 59.67 1qni s ILE 481 Cb -0.16 -2.08 -0.05 0.00 0.01 0.00 0.00 42.46 40.18 1qni s ILE 481 CO 0.01 0.52 0.12 -0.13 0.00 0.00 0.00 174.94 175.47 1qni s ARG 482 N 0.88 3.91 -0.38 2.79 0.52 -1.26 -0.73 118.95 124.68 1qni s ARG 482 Ca -0.04 -0.21 0.10 0.00 -0.52 0.00 0.00 55.73 55.06 1qni s ARG 482 Cb -0.15 -3.32 0.29 0.00 0.52 0.00 0.00 34.95 32.29 1qni s ARG 482 CO -0.01 0.46 0.61 -3.47 0.02 0.00 0.00 175.30 172.90 1qni n ASP 483 N 3.01 0.45 0.00 0.23 2.03 0.14 -5.02 116.55 117.39 1qni n ASP 483 Ca -0.17 -2.83 0.00 0.00 0.52 0.00 0.00 54.79 52.31 1qni n ASP 483 Cb 0.53 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 1qni n ASP 483 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qni n GLY 484 N 0.93 1.89 0.14 0.27 0.00 -1.26 -2.51 105.19 104.64 1qni n GLY 484 Ca 0.23 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 45.98 1qni n GLY 484 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qni n ASN 485 N 9.17 0.89 -4.87 1.61 3.02 -1.26 -4.87 115.26 118.95 1qni n ASN 485 Ca 0.00 -0.69 -0.35 0.00 -0.03 0.00 0.00 54.58 53.51 1qni n ASN 485 Cb 0.00 0.30 -0.05 0.00 -0.61 0.00 0.00 39.78 39.42 1qni n ASN 485 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1qni s LYS 486 N -2.76 3.69 -0.05 3.52 1.02 -1.05 -0.07 119.74 124.03 1qni s LYS 486 Ca 0.17 0.09 -0.01 0.00 0.02 0.00 0.00 55.97 56.23 1qni s LYS 486 Cb 0.18 -3.07 0.03 0.00 -0.52 0.00 0.00 37.83 34.45 1qni s LYS 486 CO 0.64 0.62 0.03 0.08 -0.92 0.00 0.00 175.35 175.80 1qni s VAL 487 N -1.30 0.16 -0.22 3.17 1.01 -0.38 -0.69 120.40 122.15 1qni s VAL 487 Ca 0.29 0.25 -0.05 0.00 0.00 0.00 0.00 61.98 62.47 1qni s VAL 487 Cb -0.14 -0.35 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 1qni s VAL 487 CO 0.16 0.22 -0.01 -0.13 0.00 0.00 0.00 175.10 175.33 1qni s ARG 488 N 1.97 3.47 -0.19 2.72 0.52 0.09 -0.78 118.95 126.74 1qni s ARG 488 Ca 0.04 -0.58 -0.04 0.00 -0.52 0.00 0.00 55.73 54.63 1qni s ARG 488 Cb -0.12 -3.08 -0.02 0.00 0.52 0.00 0.00 34.95 32.24 1qni s ARG 488 CO -0.04 -0.17 -0.03 0.08 0.02 0.00 0.00 175.30 175.16 1qni s VAL 489 N 1.44 3.68 -0.20 3.52 1.01 0.60 0.08 120.40 130.53 1qni s VAL 489 Ca 0.05 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 1qni s VAL 489 Cb -0.14 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 1qni s VAL 489 CO -0.01 0.45 -0.06 -0.31 0.00 0.00 0.00 175.10 175.17 1qni s TYR 490 N 0.90 2.94 0.28 5.22 1.51 -0.22 -0.01 117.35 127.97 1qni s TYR 490 Ca -0.00 -0.90 0.09 0.00 -1.01 0.00 0.00 57.07 55.25 1qni s TYR 490 Cb -0.15 -2.06 -0.05 0.00 -0.11 0.00 0.00 41.96 39.59 1qni s TYR 490 CO 0.01 -0.49 -0.13 -1.64 -1.11 0.00 0.00 175.55 172.19 1qni s MET 491 N 1.28 1.60 0.19 -0.62 -1.94 0.75 -2.46 119.30 118.09 1qni s MET 491 Ca 0.03 -1.77 0.11 0.00 -1.71 0.00 0.00 55.69 52.35 1qni s MET 491 Cb -0.14 -1.46 -0.04 0.00 2.01 0.00 0.00 34.83 35.19 1qni s MET 491 CO -0.02 0.19 -0.21 -0.08 -0.01 0.00 0.00 175.02 174.88 1qni s THR 492 N -2.76 2.53 -0.02 2.05 -1.32 -1.26 -1.92 115.64 112.95 1qni s THR 492 Ca 0.29 -1.94 0.00 0.00 -1.21 0.00 0.00 61.69 58.83 1qni s THR 492 Cb -0.00 -2.22 0.02 0.00 -1.51 0.00 0.00 72.50 68.79 1qni s THR 492 CO 0.13 -0.10 0.02 -0.94 -2.21 0.00 0.00 174.62 171.51 1qni s SER 493 N -2.67 0.12 0.15 8.08 1.04 0.01 0.94 113.70 121.36 1qni s SER 493 Ca 0.21 0.02 -0.18 0.00 0.48 0.00 0.00 55.95 56.48 1qni s SER 493 Cb -0.08 -0.08 0.04 0.00 0.10 0.00 0.00 66.02 66.00 1qni s SER 493 CO 0.11 -0.09 0.47 0.68 0.98 0.00 0.00 173.24 175.38 1qni s VAL 494 N 0.82 0.04 0.00 5.02 -7.23 -0.92 -1.11 120.40 117.02 1qni s VAL 494 Ca -0.07 -0.51 0.00 0.00 -1.81 0.00 0.00 61.98 59.59 1qni s VAL 494 Cb -0.10 -1.24 0.00 0.00 0.56 0.00 0.00 36.38 35.60 1qni s VAL 494 CO -0.02 -0.20 0.00 0.00 -0.31 0.00 0.00 175.10 174.57 1qni n ALA 495 N -0.29 0.00 -0.88 1.32 0.00 -1.26 -0.54 120.51 118.86 1qni n ALA 495 Ca -0.15 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.11 1qni n ALA 495 Cb 0.64 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.14 1qni n ALA 495 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1qni n PRO 496 N 0.00 1.90 -3.99 0.00 -0.04 -1.26 -4.90 135.00 126.71 1qni n PRO 496 Ca 0.00 -1.78 -0.09 0.00 -0.04 0.00 0.00 63.50 61.59 1qni n PRO 496 Cb 0.00 -1.70 -0.11 0.00 -0.04 0.00 0.00 33.50 31.65 1qni n PRO 496 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1qni s GLN 497 N -2.07 0.33 0.14 0.54 -0.21 0.30 -3.92 119.66 114.77 1qni s GLN 497 Ca 0.35 -0.63 -0.05 0.00 0.02 0.00 0.00 55.36 55.04 1qni s GLN 497 Cb 0.28 0.10 -0.06 0.00 1.00 0.00 0.00 33.01 34.33 1qni s GLN 497 CO 0.00 -0.05 0.38 0.71 -2.12 0.00 0.00 175.29 174.22 1qni s TYR 498 N -1.53 3.48 -1.44 0.91 2.02 -1.26 -2.16 117.35 117.37 1qni s TYR 498 Ca -0.15 0.58 0.11 0.00 -0.37 0.00 0.00 57.07 57.25 1qni s TYR 498 Cb -0.09 -2.03 0.58 0.00 -0.40 0.00 0.00 41.96 40.02 1qni s TYR 498 CO -0.01 0.43 1.26 0.41 -1.57 0.00 0.00 175.55 176.07 1qni n GLY 499 N 0.13 -0.66 2.91 0.71 0.00 0.27 -4.53 105.19 104.02 1qni n GLY 499 Ca -0.03 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 1qni n GLY 499 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1qni s MET 500 N -2.56 0.08 -0.05 1.61 -2.45 -1.26 -4.88 119.30 109.78 1qni s MET 500 Ca 0.11 0.30 0.08 0.00 -1.25 0.00 0.00 55.69 54.93 1qni s MET 500 Cb 0.08 -0.14 0.16 0.00 1.25 0.00 0.00 34.83 36.17 1qni s MET 500 CO 0.17 -0.14 1.10 0.25 1.05 0.00 0.00 175.02 177.46 1qni n THR 501 N 3.96 1.37 -3.64 10.11 -2.24 -1.26 -4.85 114.28 117.73 1qni n THR 501 Ca -0.24 -1.46 -0.06 0.00 -2.27 0.00 0.00 64.05 60.02 1qni n THR 501 Cb 0.53 0.21 -0.07 0.00 -2.10 0.00 0.00 70.33 68.91 1qni n THR 501 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qni s ASP 502 N -1.66 -0.43 -0.04 3.42 -1.08 -1.26 -1.93 116.67 113.69 1qni s ASP 502 Ca 0.15 0.77 -0.29 0.00 -0.52 0.00 0.00 52.55 52.66 1qni s ASP 502 Cb 0.12 0.94 0.07 0.00 -1.46 0.00 0.00 42.92 42.59 1qni s ASP 502 CO 0.03 -0.13 0.64 0.72 0.52 0.00 0.00 175.17 176.96 1qni s PHE 503 N 0.66 -0.61 0.01 -5.34 -0.71 -1.01 -4.99 117.98 106.00 1qni s PHE 503 Ca -0.01 1.01 0.06 0.00 -1.04 0.00 0.00 56.93 56.94 1qni s PHE 503 Cb -0.04 0.39 -0.03 0.00 -1.21 0.00 0.00 43.02 42.12 1qni s PHE 503 CO -0.11 -0.60 -0.15 0.15 -1.34 0.00 0.00 175.22 173.18 1qni s LYS 504 N -1.32 2.27 0.18 1.99 1.02 -1.26 -0.75 119.74 121.86 1qni s LYS 504 Ca -0.11 -0.87 -0.09 0.00 0.02 0.00 0.00 55.97 54.93 1qni s LYS 504 Cb -0.00 -2.29 -0.01 0.00 -0.52 0.00 0.00 37.83 35.00 1qni s LYS 504 CO 0.08 0.57 0.29 0.14 -0.92 0.00 0.00 175.35 175.52 1qni s VAL 505 N -0.90 0.05 -0.07 3.17 -7.23 -0.42 -4.96 120.40 110.04 1qni s VAL 505 Ca 0.15 -1.45 -0.05 0.00 -1.81 0.00 0.00 61.98 58.82 1qni s VAL 505 Cb -0.11 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.84 1qni s VAL 505 CO 0.05 -0.24 0.16 -0.54 -0.31 0.00 0.00 175.10 174.22 1qni s LYS 506 N -3.99 3.43 0.09 4.82 1.02 -1.26 -1.86 119.74 121.99 1qni s LYS 506 Ca 0.20 -0.22 -0.36 0.00 0.02 0.00 0.00 55.97 55.60 1qni s LYS 506 Cb 0.03 -3.14 -0.17 0.00 -0.52 0.00 0.00 37.83 34.03 1qni s LYS 506 CO 0.02 0.73 1.17 -1.91 -0.92 0.00 0.00 175.35 174.44 1qni n GLU 507 N 1.50 0.75 0.00 1.68 2.13 -0.29 -0.63 120.64 125.78 1qni n GLU 507 Ca -0.16 0.27 0.00 0.00 0.66 0.00 0.00 57.16 57.93 1qni n GLU 507 Cb 0.54 -1.79 0.00 0.00 0.27 0.00 0.00 31.44 30.45 1qni n GLU 507 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1qni n GLY 508 N 2.07 1.53 3.76 8.31 0.00 -0.92 -4.64 105.19 115.29 1qni n GLY 508 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1qni n GLY 508 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qni s ASP 509 N -2.93 5.52 -0.57 1.61 1.01 0.20 -4.67 116.67 116.84 1qni s ASP 509 Ca 0.00 2.61 -0.20 0.00 0.71 0.00 0.00 52.55 55.68 1qni s ASP 509 Cb 0.00 -2.62 0.08 0.00 1.01 0.00 0.00 42.92 41.39 1qni s ASP 509 CO 0.00 -1.39 0.73 -0.70 0.21 0.00 0.00 175.17 174.02 1qni s GLU 510 N -2.87 3.09 -0.14 8.23 2.12 0.89 -1.65 118.70 128.37 1qni s GLU 510 Ca 0.70 -1.06 -0.16 0.00 0.36 0.00 0.00 54.97 54.81 1qni s GLU 510 Cb -0.36 -4.20 -0.04 0.00 0.26 0.00 0.00 34.13 29.79 1qni s GLU 510 CO 0.43 -1.47 0.38 0.08 -0.54 0.00 0.00 175.26 174.14 1qni s VAL 511 N 2.93 5.25 -0.09 3.70 1.01 0.77 -1.25 120.40 132.72 1qni s VAL 511 Ca 0.15 0.74 0.05 0.00 0.00 0.00 0.00 61.98 62.92 1qni s VAL 511 Cb -0.21 -3.72 -0.00 0.00 0.00 0.00 0.00 36.38 32.45 1qni s VAL 511 CO 0.09 0.36 -0.24 -0.89 0.00 0.00 0.00 175.10 174.42 1qni s THR 512 N 0.56 2.01 -0.14 3.92 2.01 0.04 -0.03 115.64 124.01 1qni s THR 512 Ca 0.21 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 61.21 1qni s THR 512 Cb -0.14 -1.73 -0.01 0.00 0.01 0.00 0.00 72.50 70.64 1qni s THR 512 CO 0.07 0.55 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.71 1qni s VAL 513 N 0.21 2.82 -0.24 3.82 1.01 0.00 -0.29 120.40 127.73 1qni s VAL 513 Ca -0.14 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.06 1qni s VAL 513 Cb -0.17 -2.18 -0.00 0.00 0.00 0.00 0.00 36.38 34.03 1qni s VAL 513 CO 0.07 0.52 -0.02 -0.31 0.00 0.00 0.00 175.10 175.36 1qni s TYR 514 N 0.51 3.00 -0.17 5.22 1.51 0.99 -2.04 117.35 126.37 1qni s TYR 514 Ca -0.10 -1.00 -0.02 0.00 -1.01 0.00 0.00 57.07 54.94 1qni s TYR 514 Cb -0.16 -2.13 -0.01 0.00 -0.11 0.00 0.00 41.96 39.55 1qni s TYR 514 CO 0.04 -0.57 -0.09 0.42 -1.11 0.00 0.00 175.55 174.25 1qni s ILE 515 N 1.47 3.26 -0.19 2.71 -1.09 -0.51 -0.18 121.20 126.68 1qni s ILE 515 Ca 0.05 -0.56 -0.02 0.00 -2.23 0.00 0.00 60.65 57.89 1qni s ILE 515 Cb -0.15 -2.43 -0.00 0.00 -1.58 0.00 0.00 42.46 38.30 1qni s ILE 515 CO -0.02 0.48 -0.11 -0.89 -1.23 0.00 0.00 174.94 173.17 1qni s THR 516 N 0.82 2.92 -0.48 2.92 2.01 -0.81 -1.96 115.64 121.07 1qni s THR 516 Ca -0.03 -0.66 -0.22 0.00 0.31 0.00 0.00 61.69 61.09 1qni s THR 516 Cb -0.15 -2.28 0.03 0.00 0.01 0.00 0.00 72.50 70.11 1qni s THR 516 CO 0.01 0.48 0.78 0.21 -0.69 0.00 0.00 174.62 175.41 1qni s ASN 517 N 1.18 6.36 0.20 3.53 2.47 -0.48 -0.81 114.94 127.38 1qni s ASN 517 Ca 0.02 -0.31 0.25 0.00 0.42 0.00 0.00 52.86 53.24 1qni s ASN 517 Cb -0.14 -2.37 0.66 0.00 -1.45 0.00 0.00 41.25 37.94 1qni s ASN 517 CO -0.04 -0.96 1.64 -0.07 -3.72 0.00 0.00 177.10 173.95 1qni h LEU 518 N 10.20 0.00-10.02 3.21 3.38 -1.45 0.43 115.31 121.05 1qni h LEU 518 Ca -0.25 -0.06 -0.56 0.00 0.09 0.00 0.00 57.88 57.10 1qni h LEU 518 Cb 1.09 0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.98 1qni h LEU 518 CO 0.98 0.03 0.51 0.47 0.09 0.00 0.00 178.44 180.52 1qni n ASP 519 N -2.26 2.24 0.00 -0.43 8.00 -1.25 -4.80 116.55 118.05 1qni n ASP 519 Ca 0.05 0.92 0.00 0.00 0.71 0.00 0.00 54.79 56.46 1qni n ASP 519 Cb 0.44 -1.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.00 1qni n ASP 519 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1qni n MET 520 N -1.24 2.19 -2.91 -1.24 2.81 -1.26 -3.52 117.12 111.94 1qni n MET 520 Ca 0.12 -1.23 -0.40 0.00 -1.81 0.00 0.00 57.70 54.38 1qni n MET 520 Cb 0.46 -0.87 -0.05 0.00 -0.71 0.00 0.00 33.22 32.04 1qni n MET 520 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1qni s VAL 521 N -0.73 4.49 0.40 2.03 1.01 -1.26 -5.01 120.40 121.32 1qni s VAL 521 Ca 0.00 1.78 -0.27 0.00 0.00 0.00 0.00 61.98 63.50 1qni s VAL 521 Cb 0.00 -4.18 -0.10 0.00 0.00 0.00 0.00 36.38 32.09 1qni s VAL 521 CO 0.00 0.43 1.41 -0.62 0.00 0.00 0.00 175.10 176.32 1qni n GLU 522 N 2.22 2.37 -0.93 2.72 1.02 -1.26 -2.59 120.64 124.19 1qni n GLU 522 Ca -0.03 0.84 0.00 0.00 -0.02 0.00 0.00 57.16 57.95 1qni n GLU 522 Cb 0.49 -2.56 0.00 0.00 -0.02 0.00 0.00 31.44 29.35 1qni n GLU 522 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1qni n ASP 523 N 0.31 -2.51 -4.32 1.62 -0.08 -1.26 -4.94 116.55 105.36 1qni n ASP 523 Ca 0.04 0.00 -0.44 0.00 -1.51 0.00 0.00 54.79 52.88 1qni n ASP 523 Cb 0.39 -1.37 0.00 0.00 2.34 0.00 0.00 41.12 42.48 1qni n ASP 523 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1qni n VAL 524 N -2.38 4.42 -3.56 5.18 0.31 -1.07 -4.99 118.33 116.25 1qni n VAL 524 Ca 0.00 -4.93 -0.35 0.00 -0.01 0.00 0.00 64.34 59.05 1qni n VAL 524 Cb 0.12 -2.46 -0.06 0.00 -0.91 0.00 0.00 33.84 30.53 1qni n VAL 524 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1qni s THR 525 N 0.40 5.08 0.42 2.52 2.01 -1.26 -4.05 115.64 120.76 1qni s THR 525 Ca 0.39 0.53 0.07 0.00 0.31 0.00 0.00 61.69 62.98 1qni s THR 525 Cb -0.02 -3.66 -0.07 0.00 0.01 0.00 0.00 72.50 68.76 1qni s THR 525 CO -0.01 0.34 0.05 -1.00 -0.69 0.00 0.00 174.62 173.30 1qni s HIS 526 N -1.35 2.49 0.28 4.92 3.76 -0.61 -4.56 115.29 120.22 1qni s HIS 526 Ca 0.32 -0.67 0.01 0.00 -0.15 0.00 0.00 55.06 54.56 1qni s HIS 526 Cb -0.14 -1.81 -0.03 0.00 1.11 0.00 0.00 32.58 31.71 1qni s HIS 526 CO 0.17 0.37 0.27 0.20 -0.85 0.00 0.00 174.74 174.90 1qni s GLY 527 N -3.77 1.74 -0.07 -2.22 0.00 -1.26 -1.16 107.32 100.58 1qni s GLY 527 Ca 0.34 -1.76 -0.03 0.00 0.00 0.00 0.00 44.72 43.27 1qni s GLY 527 CO 0.18 -1.31 0.16 -0.12 0.00 0.00 0.00 173.10 172.01 1qni s PHE 528 N -3.69 -0.19 -0.13 1.90 5.36 -1.00 -4.08 117.98 116.15 1qni s PHE 528 Ca 0.37 0.54 -0.04 0.00 -0.96 0.00 0.00 56.93 56.84 1qni s PHE 528 Cb 0.03 -0.08 0.06 0.00 -0.34 0.00 0.00 43.02 42.70 1qni s PHE 528 CO 0.19 -0.19 0.17 0.00 -1.46 0.00 0.00 175.22 173.94 1qni s MET 530 N 2.28 3.51 0.18 0.00 1.75 -1.22 -1.59 119.30 124.22 1qni s MET 530 Ca 0.04 -0.11 -0.33 0.00 -1.25 0.00 0.00 55.69 54.04 1qni s MET 530 Cb -0.14 -3.87 -0.15 0.00 2.84 0.00 0.00 34.83 33.52 1qni s MET 530 CO -0.08 -0.87 1.35 0.28 -0.65 0.00 0.00 175.02 175.05 1qni n VAL 531 N 5.73 0.61 -1.86 10.11 0.31 -0.49 -2.36 118.33 130.39 1qni n VAL 531 Ca -0.01 -0.15 -0.20 0.00 -0.01 0.00 0.00 64.34 63.97 1qni n VAL 531 Cb 0.48 -1.18 -0.06 0.00 -0.91 0.00 0.00 33.84 32.17 1qni n VAL 531 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1qni n ASN 532 N 2.39 -5.48 0.00 4.52 3.02 -1.26 -4.79 115.26 113.66 1qni n ASN 532 Ca 0.15 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 55.00 1qni n ASN 532 Cb 0.27 -4.64 0.00 0.00 -0.61 0.00 0.00 39.78 34.80 1qni n ASN 532 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1qni n HIS 533 N -3.00 0.00 -3.77 3.10 8.25 -0.99 -4.99 115.22 113.82 1qni n HIS 533 Ca -0.21 -0.27 -0.25 0.00 -0.26 0.00 0.00 57.72 56.73 1qni n HIS 533 Cb 0.66 -0.03 0.04 0.00 1.12 0.00 0.00 29.99 31.78 1qni n HIS 533 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1qni n GLY 534 N -0.27 -0.39 3.06 -1.41 0.00 -1.26 -4.95 105.19 99.97 1qni n GLY 534 Ca 0.00 0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 1qni n GLY 534 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qni s VAL 535 N -3.48 1.06 -0.21 1.61 1.01 -1.26 -5.08 120.40 114.04 1qni s VAL 535 Ca 0.31 -0.51 -0.27 0.00 0.00 0.00 0.00 61.98 61.51 1qni s VAL 535 Cb -0.15 -0.92 0.07 0.00 0.00 0.00 0.00 36.38 35.38 1qni s VAL 535 CO 0.81 0.32 0.73 -0.55 0.00 0.00 0.00 175.10 176.41 1qni s SER 536 N 0.11 -0.70 0.06 3.32 0.15 -1.26 -3.37 113.70 112.01 1qni s SER 536 Ca -0.03 1.20 -0.24 0.00 0.70 0.00 0.00 55.95 57.58 1qni s SER 536 Cb -0.10 1.16 0.06 0.00 -1.71 0.00 0.00 66.02 65.44 1qni s SER 536 CO 0.01 -0.34 0.56 0.00 1.20 0.00 0.00 173.24 174.67 1qni s MET 537 N -0.08 1.11 0.11 5.44 0.23 -0.93 -3.79 119.30 121.39 1qni s MET 537 Ca -0.03 -0.24 -0.09 0.00 -1.03 0.00 0.00 55.69 54.30 1qni s MET 537 Cb -0.04 0.51 -0.06 0.00 -1.53 0.00 0.00 34.83 33.71 1qni s MET 537 CO 0.03 -0.42 0.43 -2.00 -2.03 0.00 0.00 175.02 171.03 1qni s GLU 538 N -2.65 3.76 -0.41 3.16 2.12 -0.72 -2.36 118.70 121.60 1qni s GLU 538 Ca -0.04 0.18 0.04 0.00 0.36 0.00 0.00 54.97 55.50 1qni s GLU 538 Cb -0.00 -2.92 0.17 0.00 0.26 0.00 0.00 34.13 31.63 1qni s GLU 538 CO -0.03 0.51 0.40 0.42 -0.54 0.00 0.00 175.26 176.02 1qni s ILE 539 N -1.50 -0.07 1.08 -3.70 1.01 -0.31 -4.65 121.20 113.06 1qni s ILE 539 Ca 0.37 -1.88 -0.17 0.00 0.00 0.00 0.00 60.65 58.97 1qni s ILE 539 Cb -0.13 -0.88 0.24 0.00 0.01 0.00 0.00 42.46 41.69 1qni s ILE 539 CO 0.20 -0.85 1.17 -0.44 0.00 0.00 0.00 174.94 175.02 1qni s SER 540 N 0.62 1.99 -0.30 3.58 0.01 -1.26 -1.57 113.70 116.77 1qni s SER 540 Ca 0.27 0.61 -0.40 0.00 1.31 0.00 0.00 55.95 57.74 1qni s SER 540 Cb -0.04 -0.86 -0.15 0.00 0.21 0.00 0.00 66.02 65.17 1qni s SER 540 CO -0.11 -3.46 1.80 -2.65 0.41 0.00 0.00 173.24 169.23 1qni n PRO 541 N -4.31 1.10 -1.60 12.44 -0.02 -1.26 -1.78 135.00 139.57 1qni n PRO 541 Ca 0.12 0.40 -0.13 0.00 -2.02 0.00 0.00 63.50 61.87 1qni n PRO 541 Cb 0.59 -2.11 -0.04 0.00 -0.02 0.00 0.00 33.50 31.92 1qni n PRO 541 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1qni n GLN 542 N 5.71 -0.91 -4.05 -0.52 1.13 0.14 -1.59 117.38 117.28 1qni n GLN 542 Ca 0.29 0.86 -0.22 0.00 -1.94 0.00 0.00 57.00 55.98 1qni n GLN 542 Cb 0.13 -4.94 -0.04 0.00 0.11 0.00 0.00 30.24 25.51 1qni n GLN 542 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1qni s GLN 543 N -3.48 3.14 -0.10 -1.09 0.74 -0.74 -4.62 119.66 113.51 1qni s GLN 543 Ca 0.00 -0.91 0.01 0.00 0.05 0.00 0.00 55.36 54.51 1qni s GLN 543 Cb 0.00 -2.71 0.02 0.00 1.10 0.00 0.00 33.01 31.42 1qni s GLN 543 CO 0.00 0.43 -0.11 0.99 -0.55 0.00 0.00 175.29 176.05 1qni s THR 544 N -2.02 1.20 0.15 -0.34 2.01 -1.26 -1.38 115.64 114.00 1qni s THR 544 Ca 0.33 -0.44 0.08 0.00 0.31 0.00 0.00 61.69 61.97 1qni s THR 544 Cb -0.09 -1.15 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 1qni s THR 544 CO 0.26 0.39 -0.17 0.00 -0.69 0.00 0.00 174.62 174.41 1qni s ALA 545 N 1.26 1.86 0.00 7.40 0.00 -0.83 -4.73 121.76 126.73 1qni s ALA 545 Ca -0.03 -1.43 -0.03 0.00 0.00 0.00 0.00 51.96 50.48 1qni s ALA 545 Cb -0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 1qni s ALA 545 CO -0.04 0.20 0.04 -1.54 0.00 0.00 0.00 175.76 174.42 1qni s SER 546 N -2.59 0.10 -0.01 0.00 1.04 -1.26 -1.42 113.70 109.56 1qni s SER 546 Ca 0.14 -0.25 -0.01 0.00 0.48 0.00 0.00 55.95 56.31 1qni s SER 546 Cb -0.06 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.21 1qni s SER 546 CO 0.05 -0.25 0.02 0.54 0.98 0.00 0.00 173.24 174.58 1qni s VAL 547 N -1.06 -0.00 0.04 5.02 0.11 -0.87 -1.10 120.40 122.54 1qni s VAL 547 Ca -0.12 0.02 0.09 0.00 -2.93 0.00 0.00 61.98 59.04 1qni s VAL 547 Cb -0.07 -0.04 -0.03 0.00 -1.53 0.00 0.00 36.38 34.72 1qni s VAL 547 CO 0.00 0.01 -0.25 0.42 -3.33 0.00 0.00 175.10 171.94 1qni s THR 548 N 0.09 2.23 0.27 5.04 -4.23 -1.26 -0.82 115.64 116.96 1qni s THR 548 Ca -0.01 -1.34 -0.11 0.00 -1.18 0.00 0.00 61.69 59.05 1qni s THR 548 Cb -0.01 -1.87 0.00 0.00 1.34 0.00 0.00 72.50 71.96 1qni s THR 548 CO -0.00 0.38 0.49 0.72 -0.54 0.00 0.00 174.62 175.67 1qni s PHE 549 N -0.81 0.48 -0.21 3.99 -0.12 0.96 -4.98 117.98 117.28 1qni s PHE 549 Ca 0.12 -0.83 -0.07 0.00 -0.05 0.00 0.00 56.93 56.09 1qni s PHE 549 Cb -0.10 0.18 -0.04 0.00 -0.63 0.00 0.00 43.02 42.43 1qni s PHE 549 CO 0.02 -1.05 0.07 0.99 -0.05 0.00 0.00 175.22 175.19 1qni s THR 550 N -3.74 4.58 0.25 -4.49 2.01 -1.26 -0.17 115.64 112.83 1qni s THR 550 Ca 0.24 -0.10 -0.31 0.00 0.31 0.00 0.00 61.69 61.83 1qni s THR 550 Cb -0.01 -3.10 -0.11 0.00 0.01 0.00 0.00 72.50 69.29 1qni s THR 550 CO 0.11 0.40 1.63 0.00 -0.69 0.00 0.00 174.62 176.07 1qni s ALA 551 N 0.93 3.81 1.00 7.40 0.00 -0.66 -4.90 121.76 129.33 1qni s ALA 551 Ca 0.04 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1qni s ALA 551 Cb -0.14 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.32 1qni s ALA 551 CO 0.03 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.26 1qni n GLY 552 N 2.89 -1.63 3.76 0.00 0.00 -1.26 -2.16 105.19 106.79 1qni n GLY 552 Ca 0.11 -1.48 -0.38 0.00 0.00 0.00 0.00 46.02 44.27 1qni n GLY 552 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qni s LYS 553 N 0.00 3.34 0.21 1.61 -2.85 -1.26 -4.30 119.74 116.49 1qni s LYS 553 Ca 0.00 2.18 -0.30 0.00 -1.00 0.00 0.00 55.97 56.84 1qni s LYS 553 Cb 0.00 -2.35 -0.16 0.00 -2.06 0.00 0.00 37.83 33.27 1qni s LYS 553 CO 0.00 -1.01 0.94 -0.35 0.10 0.00 0.00 175.35 175.02 1qni n PRO 554 N -0.80 0.85 -2.60 1.78 -0.04 -1.26 -4.88 135.00 128.05 1qni n PRO 554 Ca 0.09 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1qni n PRO 554 Cb 0.45 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 1qni n PRO 554 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qni n GLY 555 N 1.70 -0.83 3.73 0.55 0.00 0.73 -4.99 105.19 106.08 1qni n GLY 555 Ca 0.14 -1.49 -0.37 0.00 0.00 0.00 0.00 46.02 44.30 1qni n GLY 555 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qni s VAL 556 N -2.38 5.24 -0.13 1.61 1.01 -1.26 -1.28 120.40 123.21 1qni s VAL 556 Ca 0.00 0.75 -0.01 0.00 0.00 0.00 0.00 61.98 62.72 1qni s VAL 556 Cb 0.00 -3.72 0.03 0.00 0.00 0.00 0.00 36.38 32.69 1qni s VAL 556 CO 0.00 0.37 -0.04 -0.31 0.00 0.00 0.00 175.10 175.12 1qni s TYR 557 N 0.45 1.34 0.52 5.22 2.02 -0.50 -4.99 117.35 121.41 1qni s TYR 557 Ca 0.21 -0.74 -0.15 0.00 -0.37 0.00 0.00 57.07 56.03 1qni s TYR 557 Cb -0.14 -1.15 -0.07 0.00 -0.40 0.00 0.00 41.96 40.20 1qni s TYR 557 CO 0.07 -0.52 0.97 -1.58 -1.57 0.00 0.00 175.55 172.92 1qni s TRP 558 N 1.75 3.48 0.02 2.71 0.52 -1.26 -0.07 118.94 126.10 1qni s TRP 558 Ca 0.03 1.38 0.04 0.00 0.02 0.00 0.00 56.10 57.57 1qni s TRP 558 Cb -0.14 -2.73 -0.02 0.00 -1.15 0.00 0.00 33.47 29.43 1qni s TRP 558 CO -0.07 -0.39 -0.11 1.52 0.02 0.00 0.00 176.95 177.91 1qni s TYR 559 N -2.69 0.99 0.14 -1.98 -0.85 -0.20 -1.39 117.35 111.36 1qni s TYR 559 Ca 0.57 -0.30 -0.11 0.00 -0.52 0.00 0.00 57.07 56.72 1qni s TYR 559 Cb -0.10 -0.60 0.00 0.00 0.38 0.00 0.00 41.96 41.64 1qni s TYR 559 CO 0.35 -0.00 0.29 1.52 -1.52 0.00 0.00 175.55 176.19 1qni s TYR 560 N -0.68 0.18 0.02 -3.49 1.13 -0.62 -1.57 117.35 112.32 1qni s TYR 560 Ca 0.01 -0.56 -0.30 0.00 -1.41 0.00 0.00 57.07 54.81 1qni s TYR 560 Cb -0.06 0.03 -0.03 0.00 -1.10 0.00 0.00 41.96 40.79 1qni s TYR 560 CO 0.00 -0.68 0.99 0.00 -2.51 0.00 0.00 175.55 173.35 1qni n ASN 562 N 3.77 3.65 -4.15 0.00 2.04 -1.26 -4.82 115.26 114.49 1qni n ASN 562 Ca 0.06 -2.18 -0.35 0.00 -0.44 0.00 0.00 54.58 51.67 1qni n ASN 562 Cb 0.51 -0.40 -0.13 0.00 -2.53 0.00 0.00 39.78 37.23 1qni n ASN 562 CO 0.00 0.00 0.00 0.86 -0.44 0.00 0.00 177.26 177.68 1qni s TRP 563 N -1.32 3.41 -0.23 -2.53 -0.11 -1.26 -4.91 118.94 111.99 1qni s TRP 563 Ca 0.38 -2.12 -0.36 0.00 1.22 0.00 0.00 56.10 55.22 1qni s TRP 563 Cb 0.22 -2.57 -0.12 0.00 -1.50 0.00 0.00 33.47 29.49 1qni s TRP 563 CO 0.22 -0.87 1.96 0.34 -4.62 0.00 0.00 176.95 173.98 1qni n PHE 564 N 4.60 2.01 0.00 5.86 -0.00 -1.26 -4.63 117.46 124.04 1qni n PHE 564 Ca -0.08 0.22 0.00 0.00 -0.00 0.00 0.00 57.45 57.59 1qni n PHE 564 Cb 0.43 -2.57 0.00 0.00 -0.00 0.00 0.00 39.48 37.33 1qni n PHE 564 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1qni s HIS 566 N -0.51 -0.24 0.49 0.00 5.65 -1.26 -4.98 115.29 114.43 1qni s HIS 566 Ca 0.00 0.04 0.38 0.00 0.25 0.00 0.00 55.06 55.73 1qni s HIS 566 Cb 0.00 0.58 1.98 0.00 -1.18 0.00 0.00 32.58 33.95 1qni s HIS 566 CO 0.00 -0.64 2.23 0.00 -0.65 0.00 0.00 174.74 175.68 1qni h ALA 567 N 2.00 1.10 -0.72 1.58 0.00 -2.00 -1.58 119.26 119.64 1qni h ALA 567 Ca -0.23 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.32 1qni h ALA 567 Cb 1.23 -0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.82 1qni h ALA 567 CO 0.28 0.03 0.33 1.28 0.00 0.00 0.00 179.25 181.17 1qni n LEU 568 N -3.26 5.68 -0.08 0.00 4.77 -1.26 -4.67 117.00 118.19 1qni n LEU 568 Ca -0.02 -3.58 -0.07 0.00 -0.03 0.00 0.00 56.01 52.32 1qni n LEU 568 Cb 0.15 -0.75 -0.01 0.00 -2.33 0.00 0.00 43.42 40.49 1qni n LEU 568 CO 0.24 1.06 0.83 -0.74 -1.33 0.00 0.00 177.39 177.46 1qni h HIS 569 N 1.31 -0.09 -0.34 -1.77 2.76 -1.63 -1.44 115.15 113.95 1qni h HIS 569 Ca 0.42 0.02 0.10 0.00 -2.20 0.00 0.00 60.37 58.71 1qni h HIS 569 Cb 2.34 0.08 -0.01 0.00 1.55 0.00 0.00 27.41 31.37 1qni h HIS 569 CO 1.32 -0.09 0.37 0.52 -1.30 0.00 0.00 177.93 178.75 1qni h MET 570 N 0.04 0.00 -0.00 5.26 2.86 -1.85 -0.19 114.93 121.05 1qni h MET 570 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1qni h MET 570 Cb 0.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1qni h MET 570 CO -0.27 0.00 -0.41 0.39 1.06 0.00 0.00 176.91 177.69 1qni n GLU 571 N -3.74 0.37 -2.32 1.72 4.71 -0.56 -4.69 120.64 116.13 1qni n GLU 571 Ca 0.05 -0.22 -0.35 0.00 -0.01 0.00 0.00 57.16 56.64 1qni n GLU 571 Cb 0.53 -1.50 -0.04 0.00 -1.01 0.00 0.00 31.44 29.42 1qni n GLU 571 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 177.13 178.63 1qni s MET 572 N -2.78 3.16 0.24 3.49 1.75 -0.09 -4.85 119.30 120.22 1qni s MET 572 Ca 0.17 -1.10 0.04 0.00 -1.25 0.00 0.00 55.69 53.55 1qni s MET 572 Cb 0.18 -5.29 -0.01 0.00 2.84 0.00 0.00 34.83 32.55 1qni s MET 572 CO 0.63 -2.92 0.13 1.33 -0.65 0.00 0.00 175.02 173.54 1qni n VAL 573 N 7.25 0.00 -3.61 10.11 0.24 -1.26 -2.22 118.33 128.84 1qni n VAL 573 Ca 0.41 -1.52 0.01 0.00 -2.04 0.00 0.00 64.34 61.19 1qni n VAL 573 Cb 0.48 0.65 -0.01 0.00 -1.47 0.00 0.00 33.84 33.49 1qni n VAL 573 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1qni s GLY 574 N -2.53 -0.39 -0.02 7.63 0.00 -0.61 -4.73 107.32 106.66 1qni s GLY 574 Ca 0.19 1.00 0.05 0.00 0.00 0.00 0.00 44.72 45.96 1qni s GLY 574 CO 0.13 0.25 -0.18 0.50 0.00 0.00 0.00 173.10 173.80 1qni s ARG 575 N -2.33 1.59 -0.22 2.90 0.52 -0.81 -1.04 118.95 119.55 1qni s ARG 575 Ca 0.13 -0.65 -0.06 0.00 -0.52 0.00 0.00 55.73 54.63 1qni s ARG 575 Cb 0.04 -1.48 -0.02 0.00 0.52 0.00 0.00 34.95 34.00 1qni s ARG 575 CO -0.04 0.36 0.02 1.41 0.02 0.00 0.00 175.30 177.06 1qni s MET 576 N -0.31 3.59 -0.31 3.54 -2.45 0.90 -2.41 119.30 121.86 1qni s MET 576 Ca 0.04 -0.52 -0.11 0.00 -1.25 0.00 0.00 55.69 53.85 1qni s MET 576 Cb -0.08 -3.16 -0.02 0.00 1.25 0.00 0.00 34.83 32.81 1qni s MET 576 CO 0.00 -0.10 0.20 -0.51 1.05 0.00 0.00 175.02 175.66 1qni s LEU 577 N 1.31 4.25 -0.24 4.11 1.43 0.07 -1.41 118.68 128.20 1qni s LEU 577 Ca 0.04 -0.32 -0.06 0.00 -1.03 0.00 0.00 54.13 52.76 1qni s LEU 577 Cb -0.15 -2.10 -0.02 0.00 0.03 0.00 0.00 46.19 43.96 1qni s LEU 577 CO 0.01 -0.17 0.02 -0.69 0.23 0.00 0.00 176.35 175.76 1qni s VAL 578 N 1.71 3.88 0.26 -1.59 1.01 -0.40 -1.30 120.40 123.96 1qni s VAL 578 Ca 0.06 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 61.75 1qni s VAL 578 Cb -0.17 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1qni s VAL 578 CO 0.09 0.34 0.20 -1.83 0.00 0.00 0.00 175.10 173.91 1qni s GLU 579 N 1.55 2.88 0.18 2.72 -1.05 -0.78 -0.20 118.70 124.01 1qni s GLU 579 Ca 0.06 -1.09 -0.32 0.00 -0.15 0.00 0.00 54.97 53.47 1qni s GLU 579 Cb -0.15 -2.54 -0.11 0.00 -0.44 0.00 0.00 34.13 30.89 1qni s GLU 579 CO 0.01 0.37 1.64 0.00 0.95 0.00 0.00 175.26 178.23 1qni s ALA 580 N -2.16 3.85 -2.00 -0.84 0.00 -1.26 -1.14 121.76 118.21 1qni s ALA 580 Ca 0.34 1.47 0.09 0.00 0.00 0.00 0.00 51.96 53.86 1qni s ALA 580 Cb -0.08 -3.66 0.57 0.00 0.00 0.00 0.00 23.12 19.95 1qni s ALA 580 CO 0.25 -0.85 1.01 0.00 0.00 0.00 0.00 175.76 176.17