#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m1r n TYR 4 N 0.00 -1.91 0.29 5.64 0.53 -1.26 -4.84 117.16 115.61 3m1r n TYR 4 Ca 0.00 0.72 0.15 0.00 -1.02 0.00 0.00 57.90 57.74 3m1r n TYR 4 Cb 0.00 -3.99 0.89 0.00 -1.03 0.00 0.00 39.34 35.21 3m1r n TYR 4 CO 0.00 0.00 0.00 -1.00 -1.02 0.00 0.00 176.86 174.84 3m1r h PRO 5 N -1.80 0.00 -0.24 -0.72 0.13 -2.11 0.24 132.00 127.50 3m1r h PRO 5 Ca -0.63 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 3m1r h PRO 5 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 3m1r h PRO 5 CO 0.54 0.01 0.00 1.19 -0.23 0.00 0.00 178.00 179.51 3m1r n PHE 6 N -3.86 0.29 -3.63 1.56 3.01 -1.26 -4.89 117.46 108.67 3m1r n PHE 6 Ca -0.03 -0.15 -0.38 0.00 1.01 0.00 0.00 57.45 57.90 3m1r n PHE 6 Cb 0.09 -0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.50 3m1r n PHE 6 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 3m1r s LEU 7 N -1.64 4.44 0.06 4.37 2.96 0.07 -5.08 118.68 123.86 3m1r s LEU 7 Ca 0.33 0.78 -0.01 0.00 -0.22 0.00 0.00 54.13 55.02 3m1r s LEU 7 Cb 0.21 -2.40 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 3m1r s LEU 7 CO 0.30 0.35 -0.04 -0.60 -1.32 0.00 0.00 176.35 175.04 3m1r s ARG 8 N -1.02 0.64 0.31 1.98 3.52 -1.26 -4.99 118.95 118.12 3m1r s ARG 8 Ca 0.21 -1.22 -0.29 0.00 -0.13 0.00 0.00 55.73 54.29 3m1r s ARG 8 Cb -0.15 0.15 -0.10 0.00 -1.56 0.00 0.00 34.95 33.28 3m1r s ARG 8 CO 0.10 -0.10 1.43 -2.00 -0.81 0.00 0.00 175.30 173.92 3m1r s GLU 9 N -3.85 4.24 0.06 5.12 2.12 -1.26 -4.89 118.70 120.25 3m1r s GLU 9 Ca 0.07 2.36 -0.36 0.00 0.36 0.00 0.00 54.97 57.41 3m1r s GLU 9 Cb 0.07 -3.06 -0.15 0.00 0.26 0.00 0.00 34.13 31.25 3m1r s GLU 9 CO -0.09 -0.40 1.52 0.00 -0.54 0.00 0.00 175.26 175.76 3m1r n ALA 10 N 1.43 0.15 0.00 6.30 0.00 -1.26 -1.77 120.51 125.36 3m1r n ALA 10 Ca 0.04 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3m1r n ALA 10 Cb 0.40 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.62 3m1r n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m1r n GLY 11 N 3.21 2.03 3.77 0.00 0.00 -1.26 -5.03 105.19 107.90 3m1r n GLY 11 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 3m1r n GLY 11 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3m1r s SER 12 N -2.76 5.54 0.21 1.61 1.04 -0.73 -5.03 113.70 113.58 3m1r s SER 12 Ca 0.00 2.28 0.02 0.00 0.48 0.00 0.00 55.95 58.74 3m1r s SER 12 Cb 0.00 -2.59 -0.01 0.00 0.10 0.00 0.00 66.02 63.52 3m1r s SER 12 CO 0.00 -1.35 0.09 -1.54 0.98 0.00 0.00 173.24 171.42 3m1r n SER 13 N -1.34 0.86 -2.67 7.02 3.41 -1.26 -5.00 113.62 114.64 3m1r n SER 13 Ca 0.12 -2.15 -0.38 0.00 -0.26 0.00 0.00 58.87 56.19 3m1r n SER 13 Cb 0.50 0.60 -0.06 0.00 -0.26 0.00 0.00 64.21 64.99 3m1r n SER 13 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3m1r n PHE 14 N -0.46 0.95 -4.28 7.33 7.35 -1.26 -4.96 117.46 122.14 3m1r n PHE 14 Ca -0.02 0.62 -0.31 0.00 -0.76 0.00 0.00 57.45 56.98 3m1r n PHE 14 Cb 0.32 -1.28 -0.09 0.00 0.35 0.00 0.00 39.48 38.78 3m1r n PHE 14 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 3m1r s LYS 15 N 1.97 2.50 -0.20 -4.13 2.47 -1.26 -5.11 119.74 115.98 3m1r s LYS 15 Ca 0.61 -0.80 -0.04 0.00 -1.56 0.00 0.00 55.97 54.18 3m1r s LYS 15 Cb -0.86 -2.50 0.07 0.00 -1.46 0.00 0.00 37.83 33.08 3m1r s LYS 15 CO 0.45 0.57 0.07 0.34 0.16 0.00 0.00 175.35 176.95 3m1r s ASP 16 N -1.89 2.81 0.50 1.43 -1.08 -1.26 -5.02 116.67 112.15 3m1r s ASP 16 Ca 0.21 -0.84 0.35 0.00 -0.52 0.00 0.00 52.55 51.76 3m1r s ASP 16 Cb -0.11 -0.43 1.49 0.00 -1.46 0.00 0.00 42.92 42.41 3m1r s ASP 16 CO 0.13 -0.35 1.70 0.03 0.52 0.00 0.00 175.17 177.20 3m1r h ARG 17 N 8.33 0.08 -0.09 4.34 3.08 -2.05 0.80 114.38 128.87 3m1r h ARG 17 Ca -0.16 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.89 3m1r h ARG 17 Cb 1.11 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.14 3m1r h ARG 17 CO 0.34 0.06 0.00 -0.25 -1.07 0.00 0.00 179.97 179.04 3m1r n ASP 18 N -4.33 2.16 -4.51 7.04 10.43 -1.26 -4.84 116.55 121.24 3m1r n ASP 18 Ca 0.33 -1.73 -0.34 0.00 2.57 0.00 0.00 54.79 55.62 3m1r n ASP 18 Cb 1.41 -0.05 -0.12 0.00 1.84 0.00 0.00 41.12 44.20 3m1r n ASP 18 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3m1r s VAL 19 N -1.90 3.82 -0.36 2.53 1.01 0.27 -5.08 120.40 120.69 3m1r s VAL 19 Ca 0.34 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 3m1r s VAL 19 Cb 0.20 -2.65 0.07 0.00 0.00 0.00 0.00 36.38 34.01 3m1r s VAL 19 CO 0.31 0.51 0.13 -0.89 0.00 0.00 0.00 175.10 175.17 3m1r s THR 20 N 0.16 3.44 0.00 3.92 2.01 -1.26 -4.82 115.64 119.09 3m1r s THR 20 Ca -0.02 -1.58 0.00 0.00 0.31 0.00 0.00 61.69 60.40 3m1r s THR 20 Cb -0.14 -3.13 0.00 0.00 0.01 0.00 0.00 72.50 69.24 3m1r s THR 20 CO 0.03 -0.39 0.00 0.29 -0.69 0.00 0.00 174.62 173.86 3m1r n LYS 21 N 4.69 0.00 0.00 4.92 5.02 -1.26 -1.50 118.16 130.03 3m1r n LYS 21 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 3m1r n LYS 21 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.44 3m1r n LYS 21 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3m1r n SER 23 N 0.00 0.00 0.09 4.39 3.41 -0.76 -3.45 113.62 117.29 3m1r n SER 23 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 3m1r n SER 23 Cb 0.00 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.20 3m1r n SER 23 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3m1r h ASP 24 N 0.00 0.00 -0.00 4.04 3.32 -1.94 -3.35 116.42 118.49 3m1r h ASP 24 Ca 0.00 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.94 3m1r h ASP 24 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3m1r h ASP 24 CO 0.00 0.05 -0.18 0.18 -1.72 0.00 0.00 179.24 177.57 3m1r n LEU 25 N -2.26 0.22 -4.71 1.55 4.77 -1.22 -4.98 117.00 110.37 3m1r n LEU 25 Ca 0.04 -0.51 -0.38 0.00 -0.03 0.00 0.00 56.01 55.13 3m1r n LEU 25 Cb 0.45 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.47 3m1r n LEU 25 CO 0.34 0.05 0.17 -0.63 -1.33 0.00 0.00 177.39 175.99 3m1r s ILE 26 N -1.34 5.18 0.00 -0.08 1.01 -1.26 -0.01 121.20 124.70 3m1r s ILE 26 Ca 0.02 0.92 0.08 0.00 0.00 0.00 0.00 60.65 61.66 3m1r s ILE 26 Cb 0.03 -3.81 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 3m1r s ILE 26 CO 0.16 0.30 -0.25 0.00 0.00 0.00 0.00 174.94 175.14 3m1r s ALA 27 N 0.85 2.11 0.16 9.38 0.00 -0.58 -4.91 121.76 128.77 3m1r s ALA 27 Ca 0.25 -1.13 -0.32 0.00 0.00 0.00 0.00 51.96 50.76 3m1r s ALA 27 Cb -0.15 -0.51 -0.10 0.00 0.00 0.00 0.00 23.12 22.36 3m1r s ALA 27 CO 0.10 0.51 1.64 0.99 0.00 0.00 0.00 175.76 178.99 3m1r s THR 28 N -0.65 2.53 0.17 0.00 2.01 -1.26 -0.13 115.64 118.31 3m1r s THR 28 Ca 0.10 0.32 -0.30 0.00 0.31 0.00 0.00 61.69 62.12 3m1r s THR 28 Cb -0.10 -3.20 -0.08 0.00 0.01 0.00 0.00 72.50 69.13 3m1r s THR 28 CO -0.00 0.02 1.32 0.86 -0.69 0.00 0.00 174.62 176.13 3m1r s TRP 29 N 1.47 3.27 -0.20 4.92 -0.00 -0.37 -4.82 118.94 123.21 3m1r s TRP 29 Ca 0.73 1.17 0.05 0.00 -0.00 0.00 0.00 56.10 58.04 3m1r s TRP 29 Cb -0.45 -3.61 0.11 0.00 -0.00 0.00 0.00 33.47 29.53 3m1r s TRP 29 CO 0.32 -1.95 1.08 -3.47 -0.00 0.00 0.00 176.95 172.93 3m1r n ASP 30 N 3.01 2.29 0.00 5.86 4.64 -1.26 -4.96 116.55 126.12 3m1r n ASP 30 Ca 0.07 -2.17 0.00 0.00 -1.38 0.00 0.00 54.79 51.31 3m1r n ASP 30 Cb 0.43 -0.12 0.00 0.00 -1.04 0.00 0.00 41.12 40.39 3m1r n ASP 30 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3m1r n GLY 31 N -0.43 0.31 3.59 0.27 0.00 -1.26 -5.08 105.19 102.60 3m1r n GLY 31 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3m1r n GLY 31 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3m1r n GLN 32 N -1.96 -0.78 -1.99 1.61 3.00 -1.26 -4.91 117.38 111.09 3m1r n GLN 32 Ca 0.00 -0.17 -0.41 0.00 -0.01 0.00 0.00 57.00 56.41 3m1r n GLN 32 Cb 0.00 -2.25 -0.01 0.00 0.00 0.00 0.00 30.24 27.98 3m1r n GLN 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3m1r s ASP 33 N -2.49 6.51 -0.37 1.08 1.11 -1.26 -4.98 116.67 116.27 3m1r s ASP 33 Ca 0.65 2.82 -0.14 0.00 0.18 0.00 0.00 52.55 56.06 3m1r s ASP 33 Cb -0.23 -2.65 -0.00 0.00 1.07 0.00 0.00 42.92 41.11 3m1r s ASP 33 CO 0.61 -0.73 0.27 -0.63 1.18 0.00 0.00 175.17 175.87 3m1r s ILE 34 N -1.16 5.27 -0.25 0.77 1.01 -1.26 -5.05 121.20 120.53 3m1r s ILE 34 Ca 0.52 -0.41 -0.05 0.00 0.00 0.00 0.00 60.65 60.72 3m1r s ILE 34 Cb -0.42 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.23 3m1r s ILE 34 CO 0.56 -0.15 0.00 -1.59 0.00 0.00 0.00 174.94 173.76 3m1r s LYS 35 N 1.72 3.24 1.85 2.79 0.00 -1.26 -3.10 119.74 124.96 3m1r s LYS 35 Ca 0.06 -0.73 0.00 0.00 0.00 0.00 0.00 55.97 55.29 3m1r s LYS 35 Cb -0.18 -3.14 0.00 0.00 0.00 0.00 0.00 37.83 34.51 3m1r s LYS 35 CO 0.10 -0.30 0.00 0.41 0.00 0.00 0.00 175.35 175.56 3m1r n GLY 36 N 4.81 -1.49 3.70 0.59 0.00 0.49 -4.94 105.19 108.34 3m1r n GLY 36 Ca -0.17 -1.37 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 3m1r n GLY 36 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3m1r n PRO 37 N 0.00 2.18 -3.77 1.61 -0.02 -1.25 -1.02 135.00 132.72 3m1r n PRO 37 Ca 0.00 0.77 -0.13 0.00 -2.02 0.00 0.00 63.50 62.12 3m1r n PRO 37 Cb 0.00 -2.40 -0.10 0.00 -0.02 0.00 0.00 33.50 30.97 3m1r n PRO 37 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3m1r s ALA 38 N -0.62 -0.75 0.38 3.55 0.00 -0.79 -4.47 121.76 119.07 3m1r s ALA 38 Ca 0.61 0.69 -0.24 0.00 0.00 0.00 0.00 51.96 53.02 3m1r s ALA 38 Cb -0.58 -0.33 -0.10 0.00 0.00 0.00 0.00 23.12 22.10 3m1r s ALA 38 CO 0.56 -0.18 0.98 -0.51 0.00 0.00 0.00 175.76 176.61 3m1r s LEU 39 N -0.29 4.15 -0.10 0.00 1.43 -0.30 -1.75 118.68 121.82 3m1r s LEU 39 Ca -0.04 1.86 -0.07 0.00 -1.03 0.00 0.00 54.13 54.84 3m1r s LEU 39 Cb -0.03 -4.24 0.04 0.00 0.03 0.00 0.00 46.19 41.99 3m1r s LEU 39 CO 0.01 -0.30 0.26 -0.51 0.23 0.00 0.00 176.35 176.04 3m1r s ILE 40 N -1.81 -0.02 0.04 -0.59 2.07 -0.76 -0.81 121.20 119.31 3m1r s ILE 40 Ca 0.56 0.08 -0.12 0.00 -1.41 0.00 0.00 60.65 59.76 3m1r s ILE 40 Cb -0.17 -0.38 -0.06 0.00 0.13 0.00 0.00 42.46 41.99 3m1r s ILE 40 CO 0.22 0.03 0.39 -0.83 -1.91 0.00 0.00 174.94 172.84 3m1r s GLY 41 N 0.74 2.39 -0.48 1.50 0.00 0.37 -1.08 107.32 110.76 3m1r s GLY 41 Ca -0.05 -0.33 0.05 0.00 0.00 0.00 0.00 44.72 44.40 3m1r s GLY 41 CO -0.05 -0.05 0.45 -0.62 0.00 0.00 0.00 173.10 172.84 3m1r n VAL 42 N 1.32 -0.25 -0.51 1.40 0.31 0.32 -0.83 118.33 120.09 3m1r n VAL 42 Ca -0.11 -4.00 -0.04 0.00 -0.01 0.00 0.00 64.34 60.18 3m1r n VAL 42 Cb 0.52 -1.87 -0.06 0.00 -0.91 0.00 0.00 33.84 31.53 3m1r n VAL 42 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3m1r n PRO 43 N 2.11 1.03 -3.61 5.55 -0.02 -1.26 -3.33 135.00 135.47 3m1r n PRO 43 Ca 0.26 -0.34 -0.37 0.00 -2.02 0.00 0.00 63.50 61.03 3m1r n PRO 43 Cb 0.46 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.36 3m1r n PRO 43 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3m1r s LEU 44 N 0.00 4.14 0.00 2.45 2.96 -1.26 -4.48 118.68 122.49 3m1r s LEU 44 Ca 0.23 0.23 0.00 0.00 -0.22 0.00 0.00 54.13 54.37 3m1r s LEU 44 Cb 0.11 -2.20 0.00 0.00 0.50 0.00 0.00 46.19 44.60 3m1r s LEU 44 CO 0.00 0.05 0.14 -1.54 -1.32 0.00 0.00 176.35 173.68 3m1r n SER 45 N 4.20 0.00 0.00 3.68 3.41 -1.26 -0.89 113.62 122.75 3m1r n SER 45 Ca -0.14 -1.00 0.13 0.00 -0.26 0.00 0.00 58.87 57.61 3m1r n SER 45 Cb 0.52 0.00 0.61 0.00 -0.26 0.00 0.00 64.21 65.08 3m1r n SER 45 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3m1r n LYS 46 N 0.00 0.07 0.13 4.33 5.02 -1.26 -2.37 118.16 124.08 3m1r n LYS 46 Ca 0.00 0.03 0.11 0.00 -2.02 0.00 0.00 58.31 56.42 3m1r n LYS 46 Cb 0.34 -1.50 0.49 0.00 -0.02 0.00 0.00 35.03 34.34 3m1r n LYS 46 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3m1r n SER 47 N -1.46 0.56 -4.77 4.39 7.64 -1.26 -4.83 113.62 113.90 3m1r n SER 47 Ca 0.08 0.68 -0.39 0.00 1.01 0.00 0.00 58.87 60.26 3m1r n SER 47 Cb 0.30 -0.79 -0.04 0.00 -1.01 0.00 0.00 64.21 62.68 3m1r n SER 47 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3m1r s SER 48 N -4.04 6.91 0.02 6.43 0.01 -1.00 -1.66 113.70 120.37 3m1r s SER 48 Ca 0.02 2.23 -0.20 0.00 1.31 0.00 0.00 55.95 59.30 3m1r s SER 48 Cb 0.08 -2.61 -0.18 0.00 0.21 0.00 0.00 66.02 63.51 3m1r s SER 48 CO 0.30 -0.39 1.21 0.40 0.41 0.00 0.00 173.24 175.16 3m1r h ILE 49 N 2.62 1.40 -3.95 1.44 2.04 -1.90 -3.44 117.51 115.72 3m1r h ILE 49 Ca -0.48 -1.72 -0.47 0.00 1.00 0.00 0.00 64.86 63.20 3m1r h ILE 49 Cb 1.22 2.25 -0.01 0.00 -0.74 0.00 0.00 36.82 39.54 3m1r h ILE 49 CO 0.64 0.50 0.36 -0.44 0.00 0.00 0.00 178.15 179.22 3m1r s SER 50 N -6.44 7.06 -0.05 1.72 0.01 -1.26 -4.98 113.70 109.75 3m1r s SER 50 Ca -0.14 1.86 -0.32 0.00 1.31 0.00 0.00 55.95 58.67 3m1r s SER 50 Cb 0.04 -2.57 -0.10 0.00 0.21 0.00 0.00 66.02 63.60 3m1r s SER 50 CO 0.79 -0.27 1.97 1.57 0.41 0.00 0.00 173.24 177.70 3m1r n HIS 51 N 0.06 2.36 -4.52 2.43 -0.00 -1.26 -4.95 115.22 109.35 3m1r n HIS 51 Ca 0.04 -0.19 -0.21 0.00 0.46 0.00 0.00 57.72 57.83 3m1r n HIS 51 Cb 0.51 -2.73 -0.15 0.00 -0.12 0.00 0.00 29.99 27.49 3m1r n HIS 51 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 3m1r s SER 52 N 4.76 1.39 -0.26 0.26 0.15 -1.26 -5.00 113.70 113.74 3m1r s SER 52 Ca 0.92 -0.22 0.13 0.00 0.70 0.00 0.00 55.95 57.49 3m1r s SER 52 Cb -0.55 -0.20 0.71 0.00 -1.71 0.00 0.00 66.02 64.27 3m1r s SER 52 CO 0.46 0.13 1.68 0.61 1.20 0.00 0.00 173.24 177.32 3m1r n GLY 53 N 2.89 3.64 0.14 9.45 0.00 -1.26 -4.62 105.19 115.44 3m1r n GLY 53 Ca -0.15 -1.01 0.10 0.00 0.00 0.00 0.00 46.02 44.97 3m1r n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m1r n ALA 54 N -0.08 1.10 0.37 4.61 0.00 -1.26 -1.46 120.51 123.80 3m1r n ALA 54 Ca 0.32 0.17 0.12 0.00 0.00 0.00 0.00 53.44 54.06 3m1r n ALA 54 Cb 1.20 -1.29 0.52 0.00 0.00 0.00 0.00 19.45 19.87 3m1r n ALA 54 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3m1r h SER 55 N 0.00 0.00 0.82 0.00 4.64 -1.78 -0.32 113.55 116.91 3m1r h SER 55 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m1r h SER 55 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3m1r h SER 55 CO 0.00 0.00 -0.48 0.49 -0.87 0.00 0.00 176.83 175.97 3m1r n PHE 56 N -2.32 0.37 -0.19 4.77 3.01 -0.53 -4.31 117.46 118.26 3m1r n PHE 56 Ca 0.02 0.11 -0.04 0.00 1.01 0.00 0.00 57.45 58.55 3m1r n PHE 56 Cb 0.23 -0.55 0.06 0.00 -0.01 0.00 0.00 39.48 39.21 3m1r n PHE 56 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3m1r h ALA 57 N 2.70 0.72 -0.67 4.37 0.00 -1.56 -2.48 119.26 122.34 3m1r h ALA 57 Ca 0.00 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.06 3m1r h ALA 57 Cb 0.65 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.26 3m1r h ALA 57 CO 0.00 -0.04 0.19 -1.35 0.00 0.00 0.00 179.25 178.05 3m1r h PRO 58 N 0.56 0.31 -0.02 0.00 0.11 -1.74 0.29 132.00 131.52 3m1r h PRO 58 Ca 0.25 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.34 3m1r h PRO 58 Cb 0.14 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 3m1r h PRO 58 CO -0.16 0.21 -0.01 0.78 -0.21 0.00 0.00 178.00 178.60 3m1r h GLY 59 N 0.32 0.00 1.32 -0.55 0.00 -1.77 -2.15 103.07 100.25 3m1r h GLY 59 Ca 0.36 0.02 -0.14 0.00 0.00 0.00 0.00 47.33 47.57 3m1r h GLY 59 CO -0.42 -0.02 -0.35 -0.91 0.00 0.00 0.00 176.54 174.84 3m1r h THR 60 N -0.02 1.28 -0.29 4.70 1.35 -0.87 -0.82 112.91 118.24 3m1r h THR 60 Ca 0.01 -1.51 -0.06 0.00 -0.55 0.00 0.00 66.41 64.31 3m1r h THR 60 Cb 0.03 1.40 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 3m1r h THR 60 CO -0.03 0.49 -0.04 0.40 -0.25 0.00 0.00 175.52 176.09 3m1r h ILE 61 N 0.63 1.27 -0.34 6.82 2.04 -0.54 -0.95 117.51 126.44 3m1r h ILE 61 Ca 0.06 -1.04 0.06 0.00 1.00 0.00 0.00 64.86 64.94 3m1r h ILE 61 Cb 0.89 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 38.28 3m1r h ILE 61 CO 0.08 0.33 -0.00 0.03 0.00 0.00 0.00 178.15 178.59 3m1r h ARG 62 N 0.32 0.09 -0.27 2.37 3.08 -1.23 0.21 114.38 118.94 3m1r h ARG 62 Ca 0.08 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.13 3m1r h ARG 62 Cb 0.51 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 3m1r h ARG 62 CO 0.02 0.06 0.16 0.37 -1.07 0.00 0.00 179.97 179.51 3m1r h GLN 63 N 0.09 0.32 -0.68 0.04 4.15 -0.95 0.90 115.11 118.98 3m1r h GLN 63 Ca 0.16 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.52 3m1r h GLN 63 Cb 0.22 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.81 3m1r h GLN 63 CO -0.28 0.21 0.25 0.00 -1.93 0.00 0.00 178.83 177.09 3m1r h ALA 64 N 1.12 0.89 -0.58 3.38 0.00 -0.79 -2.50 119.26 120.78 3m1r h ALA 64 Ca 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3m1r h ALA 64 Cb -0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3m1r h ALA 64 CO -0.04 0.53 0.25 1.25 0.00 0.00 0.00 179.25 181.23 3m1r h LEU 65 N 0.98 0.78 -1.46 0.00 5.85 -0.18 -3.01 115.31 118.27 3m1r h LEU 65 Ca 0.22 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 3m1r h LEU 65 Cb 0.24 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3m1r h LEU 65 CO -0.01 0.72 -0.27 0.11 -0.34 0.00 0.00 178.44 178.65 3m1r h LYS 66 N 0.79 0.00 -0.10 1.25 1.57 -0.58 -1.81 116.57 117.69 3m1r h LYS 66 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3m1r h LYS 66 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3m1r h LYS 66 CO -0.02 0.27 0.00 0.72 -0.57 0.00 0.00 179.45 179.85 3m1r n HIS 67 N -3.91 0.11 -3.48 -1.35 8.25 -0.96 -1.83 115.22 112.04 3m1r n HIS 67 Ca -0.02 -0.06 -0.33 0.00 -0.26 0.00 0.00 57.72 57.06 3m1r n HIS 67 Cb 0.35 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.40 3m1r n HIS 67 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3m1r s SER 68 N -1.76 6.63 0.44 0.41 0.01 -0.68 -5.04 113.70 113.71 3m1r s SER 68 Ca 0.35 0.86 -0.24 0.00 1.31 0.00 0.00 55.95 58.23 3m1r s SER 68 Cb 0.19 -2.20 -0.08 0.00 0.21 0.00 0.00 66.02 64.14 3m1r s SER 68 CO 0.30 0.00 1.26 -0.55 0.41 0.00 0.00 173.24 174.66 3m1r s SER 69 N -2.21 6.11 0.00 2.44 0.15 -1.26 -4.48 113.70 114.44 3m1r s SER 69 Ca 0.43 2.55 0.26 0.00 0.70 0.00 0.00 55.95 59.89 3m1r s SER 69 Cb -0.12 -2.63 0.72 0.00 -1.71 0.00 0.00 66.02 62.29 3m1r s SER 69 CO 0.21 -0.98 1.55 0.00 1.20 0.00 0.00 173.24 175.22 3m1r n ALA 70 N -0.25 3.17 -2.69 5.45 0.00 -0.56 -4.91 120.51 120.71 3m1r n ALA 70 Ca 0.06 -0.38 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 3m1r n ALA 70 Cb 0.45 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 3m1r n ALA 70 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3m1r s TYR 71 N -2.62 3.51 -0.20 0.00 5.04 -1.26 -0.92 117.35 120.90 3m1r s TYR 71 Ca 0.21 1.55 -0.07 0.00 -2.44 0.00 0.00 57.07 56.32 3m1r s TYR 71 Cb 0.19 -3.15 -0.04 0.00 0.35 0.00 0.00 41.96 39.31 3m1r s TYR 71 CO 0.56 -0.21 0.06 0.45 -1.34 0.00 0.00 175.55 175.07 3m1r s SER 72 N 1.09 5.37 0.12 4.32 0.15 -0.82 -4.96 113.70 118.97 3m1r s SER 72 Ca 0.47 -0.04 -0.01 0.00 0.70 0.00 0.00 55.95 57.06 3m1r s SER 72 Cb -0.18 -1.93 -0.15 0.00 -1.71 0.00 0.00 66.02 62.05 3m1r s SER 72 CO 0.18 0.10 1.27 0.00 1.20 0.00 0.00 173.24 175.98 3m1r h ALA 73 N 7.25 0.31 -0.29 5.45 0.00 -1.96 -0.58 119.26 129.43 3m1r h ALA 73 Ca -0.36 -0.79 -0.00 0.00 0.00 0.00 0.00 54.91 53.75 3m1r h ALA 73 Cb 1.17 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3m1r h ALA 73 CO 0.65 0.94 0.16 0.93 0.00 0.00 0.00 179.25 181.93 3m1r h GLU 74 N 0.11 0.40 0.00 0.00 5.08 -1.95 -2.97 114.58 115.26 3m1r h GLU 74 Ca -0.08 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3m1r h GLU 74 Cb 1.71 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.88 3m1r h GLU 74 CO 0.17 0.29 -1.51 1.28 -1.00 0.00 0.00 179.01 178.23 3m1r n LEU 75 N -4.46 0.41 -1.60 1.33 4.32 -1.17 -4.97 117.00 110.86 3m1r n LEU 75 Ca 0.01 -0.10 -0.20 0.00 -0.02 0.00 0.00 56.01 55.71 3m1r n LEU 75 Cb 0.09 -0.02 -0.07 0.00 -1.62 0.00 0.00 43.42 41.80 3m1r n LEU 75 CO 0.35 0.05 -0.19 0.61 -1.22 0.00 0.00 177.39 176.99 3m1r n GLY 76 N 1.33 1.59 3.51 -0.72 0.00 -0.24 -4.96 105.19 105.70 3m1r n GLY 76 Ca -0.01 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 3m1r n GLY 76 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3m1r s GLU 77 N -3.83 1.41 0.53 1.61 -1.05 -1.13 -5.00 118.70 111.24 3m1r s GLU 77 Ca 0.00 -1.13 -0.18 0.00 -0.15 0.00 0.00 54.97 53.51 3m1r s GLU 77 Cb 0.00 0.46 -0.07 0.00 -0.44 0.00 0.00 34.13 34.09 3m1r s GLU 77 CO 0.00 -0.58 1.04 -1.01 0.95 0.00 0.00 175.26 175.66 3m1r s HIS 78 N -3.97 3.05 -1.03 4.83 3.76 -1.26 -1.95 115.29 118.73 3m1r s HIS 78 Ca 0.18 1.54 0.28 0.00 -0.15 0.00 0.00 55.06 56.91 3m1r s HIS 78 Cb 0.00 -3.00 1.09 0.00 1.11 0.00 0.00 32.58 31.78 3m1r s HIS 78 CO 0.04 -0.87 1.82 1.33 -0.85 0.00 0.00 174.74 176.21 3m1r n VAL 79 N -1.45 0.00 -3.96 -0.90 0.24 -0.10 -4.52 118.33 107.65 3m1r n VAL 79 Ca 0.09 -0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.10 3m1r n VAL 79 Cb 0.53 -0.33 -0.17 0.00 -1.47 0.00 0.00 33.84 32.40 3m1r n VAL 79 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3m1r s VAL 80 N -2.97 1.26 -0.02 3.34 1.01 -1.26 -4.64 120.40 117.11 3m1r s VAL 80 Ca 0.14 -0.44 -0.19 0.00 0.00 0.00 0.00 61.98 61.49 3m1r s VAL 80 Cb 0.19 -1.23 -0.11 0.00 0.00 0.00 0.00 36.38 35.23 3m1r s VAL 80 CO 0.56 0.41 0.81 0.28 0.00 0.00 0.00 175.10 177.17 3m1r h SER 81 N 8.12 -0.53 0.00 3.32 0.02 -2.00 -3.45 113.55 119.02 3m1r h SER 81 Ca -0.33 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 3m1r h SER 81 Cb 1.13 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.81 3m1r h SER 81 CO 0.46 -0.11 0.00 1.21 -1.14 0.00 0.00 176.83 177.25 3m1r n GLU 82 N -5.20 0.00 -4.04 3.45 4.07 -1.26 -5.08 120.64 112.58 3m1r n GLU 82 Ca -0.08 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 56.92 3m1r n GLU 82 Cb 0.27 -0.04 -0.07 0.00 -0.06 0.00 0.00 31.44 31.54 3m1r n GLU 82 CO 0.00 0.00 0.00 -0.48 -0.06 0.00 0.00 177.13 176.59 3m1r s LEU 83 N -3.08 0.62 -0.21 4.31 0.05 -1.26 -4.92 118.68 114.19 3m1r s LEU 83 Ca 0.00 -1.03 -0.03 0.00 0.05 0.00 0.00 54.13 53.13 3m1r s LEU 83 Cb 0.00 1.34 0.06 0.00 -2.05 0.00 0.00 46.19 45.54 3m1r s LEU 83 CO 0.00 -1.03 0.04 -0.22 -0.55 0.00 0.00 176.35 174.60 3m1r s LEU 84 N -3.04 1.23 0.37 1.48 2.96 0.99 -5.00 118.68 117.66 3m1r s LEU 84 Ca 0.25 -0.90 -0.27 0.00 -0.22 0.00 0.00 54.13 52.99 3m1r s LEU 84 Cb 0.02 -0.60 -0.10 0.00 0.50 0.00 0.00 46.19 46.01 3m1r s LEU 84 CO 0.08 -0.32 1.32 -0.31 -1.32 0.00 0.00 176.35 175.80 3m1r s TYR 85 N 1.85 2.91 -0.31 5.38 2.02 -1.26 -1.52 117.35 126.42 3m1r s TYR 85 Ca 0.00 1.40 -0.08 0.00 -0.37 0.00 0.00 57.07 58.02 3m1r s TYR 85 Cb -0.17 -3.70 0.01 0.00 -0.40 0.00 0.00 41.96 37.70 3m1r s TYR 85 CO -0.10 -2.04 0.10 0.34 -1.57 0.00 0.00 175.55 172.28 3m1r s ASP 86 N -0.58 5.25 0.21 2.29 -1.08 0.82 -1.15 116.67 122.44 3m1r s ASP 86 Ca 0.53 -0.73 0.26 0.00 -0.52 0.00 0.00 52.55 52.09 3m1r s ASP 86 Cb -0.39 -1.91 0.72 0.00 -1.46 0.00 0.00 42.92 39.87 3m1r s ASP 86 CO 0.52 -0.21 1.71 -0.07 0.52 0.00 0.00 175.17 177.63 3m1r h LEU 87 N 8.27 0.00 0.00 -1.34 3.38 -1.27 -0.98 115.31 123.36 3m1r h LEU 87 Ca -0.31 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.64 3m1r h LEU 87 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3m1r h LEU 87 CO 0.61 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.76 3m1r n GLY 88 N 1.30 -0.34 3.58 0.83 0.00 -1.26 -4.82 105.19 104.48 3m1r n GLY 88 Ca 0.05 -2.22 -0.33 0.00 0.00 0.00 0.00 46.02 43.52 3m1r n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3m1r s ASP 89 N -4.00 4.59 0.20 1.61 1.01 -1.26 -0.48 116.67 118.35 3m1r s ASP 89 Ca 0.00 -0.09 -0.30 0.00 0.71 0.00 0.00 52.55 52.87 3m1r s ASP 89 Cb 0.00 -1.11 -0.09 0.00 1.01 0.00 0.00 42.92 42.73 3m1r s ASP 89 CO 0.00 0.33 1.41 -0.63 0.21 0.00 0.00 175.17 176.49 3m1r s ILE 90 N -0.88 2.91 -0.01 0.77 1.01 -0.01 -4.93 121.20 120.07 3m1r s ILE 90 Ca 0.14 0.73 -0.30 0.00 0.00 0.00 0.00 60.65 61.22 3m1r s ILE 90 Cb -0.11 -3.47 -0.06 0.00 0.01 0.00 0.00 42.46 38.83 3m1r s ILE 90 CO 0.04 0.10 1.61 -0.62 0.00 0.00 0.00 174.94 176.07 3m1r s ASP 91 N 0.55 6.68 -0.16 3.58 2.15 -1.26 -4.55 116.67 123.66 3m1r s ASP 91 Ca 0.60 2.30 -0.04 0.00 0.43 0.00 0.00 52.55 55.84 3m1r s ASP 91 Cb -0.40 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 39.65 3m1r s ASP 91 CO 0.38 -0.88 -0.03 -0.63 -0.17 0.00 0.00 175.17 173.85 3m1r s ILE 92 N 3.32 3.97 0.66 4.11 -1.09 -1.26 -4.81 121.20 126.11 3m1r s ILE 92 Ca 0.72 -0.33 -0.15 0.00 -2.23 0.00 0.00 60.65 58.66 3m1r s ILE 92 Cb -0.35 -2.74 0.00 0.00 -1.58 0.00 0.00 42.46 37.79 3m1r s ILE 92 CO 0.30 0.49 1.13 -2.28 -1.23 0.00 0.00 174.94 173.35 3m1r s HIS 93 N 0.34 2.52 0.15 3.97 2.46 -1.26 -4.93 115.29 118.54 3m1r s HIS 93 Ca -0.03 1.56 0.10 0.00 0.47 0.00 0.00 55.06 57.16 3m1r s HIS 93 Cb -0.14 -3.23 0.09 0.00 -0.13 0.00 0.00 32.58 29.17 3m1r s HIS 93 CO 0.03 -1.84 1.45 0.28 -2.47 0.00 0.00 174.74 172.19 3m1r h VAL 94 N 0.04 1.47 0.00 0.89 2.07 -2.03 -3.42 116.25 115.26 3m1r h VAL 94 Ca -0.47 -2.70 0.00 0.00 0.82 0.00 0.00 66.70 64.35 3m1r h VAL 94 Cb 1.26 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 33.51 3m1r h VAL 94 CO 0.53 0.75 -0.51 0.41 0.02 0.00 0.00 177.57 178.77 3m1r n THR 95 N -3.51 0.00 -3.44 2.57 -1.04 -1.26 -5.01 114.28 102.59 3m1r n THR 95 Ca -0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 3m1r n THR 95 Cb 0.77 -0.45 -0.10 0.00 -1.82 0.00 0.00 70.33 68.74 3m1r n THR 95 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3m1r s ASP 96 N -3.88 6.12 0.24 8.00 -1.08 -1.26 -4.96 116.67 119.85 3m1r s ASP 96 Ca 0.00 -0.90 0.07 0.00 -0.52 0.00 0.00 52.55 51.20 3m1r s ASP 96 Cb 0.00 -2.17 0.25 0.00 -1.46 0.00 0.00 42.92 39.54 3m1r s ASP 96 CO 0.00 -0.47 1.55 -0.29 0.52 0.00 0.00 175.17 176.48 3m1r h ILE 97 N 5.64 1.45 -0.27 4.11 6.09 -1.95 -2.58 117.51 130.00 3m1r h ILE 97 Ca -0.27 -2.21 -0.14 0.00 -1.37 0.00 0.00 64.86 60.87 3m1r h ILE 97 Cb 1.12 2.18 -0.01 0.00 0.47 0.00 0.00 36.82 40.58 3m1r h ILE 97 CO 0.74 0.64 -0.41 0.58 -3.07 0.00 0.00 178.15 176.63 3m1r h VAL 98 N 0.07 1.29 0.02 2.19 2.07 -1.98 -1.49 116.25 118.42 3m1r h VAL 98 Ca -0.01 -1.59 0.03 0.00 0.82 0.00 0.00 66.70 65.95 3m1r h VAL 98 Cb 1.18 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 32.45 3m1r h VAL 98 CO 0.09 0.51 -0.21 0.11 0.02 0.00 0.00 177.57 178.09 3m1r h LYS 99 N 0.54 -0.33 -0.95 1.57 1.57 -1.95 -2.36 116.57 114.66 3m1r h LYS 99 Ca 0.04 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 58.98 3m1r h LYS 99 Cb 0.94 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 33.25 3m1r h LYS 99 CO 0.09 -0.22 0.60 0.77 -0.57 0.00 0.00 179.45 180.12 3m1r h SER 100 N -0.34 0.79 -0.23 0.86 0.02 -1.03 -0.38 113.55 113.23 3m1r h SER 100 Ca 0.05 0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 60.95 3m1r h SER 100 Cb 0.41 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 3m1r h SER 100 CO -0.18 0.39 -0.22 0.45 -1.14 0.00 0.00 176.83 176.13 3m1r h HIS 101 N 0.83 0.77 -0.33 3.45 3.86 -0.90 -2.05 115.15 120.78 3m1r h HIS 101 Ca 0.48 -0.17 -0.03 0.00 -1.16 0.00 0.00 60.37 59.50 3m1r h HIS 101 Cb 0.64 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 3m1r h HIS 101 CO -0.00 0.85 0.10 1.25 0.86 0.00 0.00 177.93 180.98 3m1r h HIS 102 N 0.60 0.54 -0.75 2.45 6.17 -0.65 -1.26 115.15 122.26 3m1r h HIS 102 Ca 0.09 -0.06 0.12 0.00 0.71 0.00 0.00 60.37 61.23 3m1r h HIS 102 Cb 0.70 -0.16 -0.08 0.00 2.52 0.00 0.00 27.41 30.39 3m1r h HIS 102 CO 0.03 0.55 0.36 0.45 0.71 0.00 0.00 177.93 180.02 3m1r h HIS 103 N 0.38 0.63 0.38 5.26 3.86 -0.95 0.03 115.15 124.73 3m1r h HIS 103 Ca 0.11 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.33 3m1r h HIS 103 Cb 0.27 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.57 3m1r h HIS 103 CO 0.01 0.17 -0.18 0.82 0.86 0.00 0.00 177.93 179.61 3m1r h ILE 104 N 0.56 0.59 -0.51 2.45 2.04 -1.01 -0.65 117.51 120.98 3m1r h ILE 104 Ca 0.39 -0.47 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 3m1r h ILE 104 Cb 0.50 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3m1r h ILE 104 CO -0.33 0.08 0.22 0.15 0.00 0.00 0.00 178.15 178.28 3m1r h PHE 105 N -0.79 0.77 -0.28 1.37 3.04 -1.06 -2.91 116.94 117.08 3m1r h PHE 105 Ca -0.05 -0.05 -0.14 0.00 3.98 0.00 0.00 57.97 61.70 3m1r h PHE 105 Cb 0.53 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.79 3m1r h PHE 105 CO 0.01 0.63 -0.40 -0.56 -2.02 0.00 0.00 178.31 175.97 3m1r h GLN 106 N 0.69 0.67 -0.64 1.11 -0.00 -1.04 0.22 115.11 116.11 3m1r h GLN 106 Ca 0.17 -0.35 0.00 0.00 -0.00 0.00 0.00 58.65 58.47 3m1r h GLN 106 Cb 0.17 0.01 0.00 0.00 -0.00 0.00 0.00 27.48 27.66 3m1r h GLN 106 CO -0.02 0.96 0.00 2.41 -0.00 0.00 0.00 178.83 182.18 3m1r n THR 107 N -4.03 0.08 0.00 1.86 -1.04 -0.25 -2.09 114.28 108.80 3m1r n THR 107 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 3m1r n THR 107 Cb 0.53 -0.30 0.00 0.00 -1.82 0.00 0.00 70.33 68.74 3m1r n THR 107 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 3m1r n HIS 109 N 0.40 0.00 -0.11 -1.42 -0.00 0.75 -2.04 115.22 112.80 3m1r n HIS 109 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.59 3m1r n HIS 109 Cb 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.09 3m1r n HIS 109 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3m1r h ALA 110 N 0.00 0.56 -0.18 1.57 0.00 -1.66 -2.36 119.26 117.20 3m1r h ALA 110 Ca 0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 3m1r h ALA 110 Cb 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3m1r h ALA 110 CO 0.00 0.68 -0.07 -0.07 0.00 0.00 0.00 179.25 179.79 3m1r h LEU 111 N 0.74 0.37 -0.96 0.00 3.38 -1.68 0.38 115.31 117.54 3m1r h LEU 111 Ca 0.05 -0.40 0.06 0.00 0.09 0.00 0.00 57.88 57.68 3m1r h LEU 111 Cb 1.02 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.60 3m1r h LEU 111 CO 0.10 0.68 0.62 -0.07 0.09 0.00 0.00 178.44 179.86 3m1r h LEU 112 N 0.05 1.00 0.23 1.67 -0.00 -1.82 -0.10 115.31 116.34 3m1r h LEU 112 Ca 0.04 0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.92 3m1r h LEU 112 Cb 0.54 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 40.99 3m1r h LEU 112 CO 0.02 0.65 -0.11 0.28 -0.00 0.00 0.00 178.44 179.28 3m1r h SER 113 N 1.14 -0.26 0.52 -0.43 0.02 -1.19 -2.98 113.55 110.38 3m1r h SER 113 Ca 0.41 -0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 3m1r h SER 113 Cb 0.12 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 3m1r h SER 113 CO -0.16 0.05 -0.16 0.44 -1.14 0.00 0.00 176.83 175.86 3m1r h ASP 114 N -0.58 0.00 -2.28 3.07 3.45 0.01 -3.36 116.42 116.73 3m1r h ASP 114 Ca -0.03 0.00 -0.58 0.00 0.43 0.00 0.00 57.03 56.85 3m1r h ASP 114 Cb 0.42 0.00 -0.39 0.00 -0.56 0.00 0.00 39.33 38.81 3m1r h ASP 114 CO 0.05 0.16 -0.99 1.41 -1.57 0.00 0.00 179.24 178.30 3m1r n HIS 115 N -3.57 -0.41 0.28 4.55 8.25 -0.07 -4.98 115.22 119.28 3m1r n HIS 115 Ca -0.01 -3.46 0.03 0.00 -0.26 0.00 0.00 57.72 54.01 3m1r n HIS 115 Cb 0.30 0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.56 3m1r n HIS 115 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3m1r n PRO 116 N 2.29 0.11 -0.00 -0.41 -0.04 -1.13 -0.97 135.00 134.85 3m1r n PRO 116 Ca 0.27 0.17 0.09 0.00 -0.04 0.00 0.00 63.50 63.98 3m1r n PRO 116 Cb 0.49 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.52 3m1r n PRO 116 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3m1r n ASP 117 N -1.20 2.46 -4.71 3.54 10.43 -1.26 -4.97 116.55 120.84 3m1r n ASP 117 Ca 0.03 -1.73 -0.42 0.00 2.57 0.00 0.00 54.79 55.24 3m1r n ASP 117 Cb 0.04 -0.00 -0.03 0.00 1.84 0.00 0.00 41.12 42.97 3m1r n ASP 117 CO 0.00 0.00 0.00 0.86 -1.07 0.00 0.00 177.20 176.99 3m1r s TRP 118 N -1.45 3.06 -0.40 1.24 -0.00 -0.14 -0.38 118.94 120.87 3m1r s TRP 118 Ca 0.20 0.81 -0.06 0.00 -0.00 0.00 0.00 56.10 57.06 3m1r s TRP 118 Cb 0.15 -3.75 0.08 0.00 -0.00 0.00 0.00 33.47 29.95 3m1r s TRP 118 CO 0.22 -2.72 0.20 0.08 -0.00 0.00 0.00 176.95 174.72 3m1r s VAL 119 N 1.49 3.70 0.16 5.86 1.01 -0.19 -4.89 120.40 127.53 3m1r s VAL 119 Ca 0.66 -1.62 -0.31 0.00 0.00 0.00 0.00 61.98 60.71 3m1r s VAL 119 Cb -0.37 -3.33 -0.10 0.00 0.00 0.00 0.00 36.38 32.57 3m1r s VAL 119 CO 0.30 -0.50 1.57 -2.84 0.00 0.00 0.00 175.10 173.63 3m1r s PRO 120 N 1.30 4.22 -0.49 2.72 0.02 -1.24 -1.88 135.00 139.64 3m1r s PRO 120 Ca 0.03 2.36 -0.07 0.00 0.02 0.00 0.00 61.00 63.34 3m1r s PRO 120 Cb -0.22 -3.19 0.13 0.00 0.02 0.00 0.00 34.50 31.23 3m1r s PRO 120 CO -0.01 -0.61 0.33 -0.51 -0.33 0.00 0.00 177.00 175.87 3m1r s LEU 121 N 1.25 5.57 -0.12 -5.54 1.02 -0.72 -1.53 118.68 118.62 3m1r s LEU 121 Ca 0.70 -2.08 -0.19 0.00 0.02 0.00 0.00 54.13 52.58 3m1r s LEU 121 Cb -0.43 -1.95 -0.04 0.00 0.02 0.00 0.00 46.19 43.79 3m1r s LEU 121 CO 0.31 -0.61 0.53 -0.63 0.02 0.00 0.00 176.35 175.97 3m1r s ILE 122 N 1.09 5.15 -0.37 -0.59 1.01 0.42 -1.84 121.20 126.07 3m1r s ILE 122 Ca 0.08 1.05 -0.04 0.00 0.00 0.00 0.00 60.65 61.74 3m1r s ILE 122 Cb -0.24 -3.86 0.08 0.00 0.01 0.00 0.00 42.46 38.44 3m1r s ILE 122 CO -0.02 0.29 0.15 -0.76 0.00 0.00 0.00 174.94 174.60 3m1r s LEU 123 N 0.77 4.77 1.04 2.97 1.02 -0.24 -1.58 118.68 127.43 3m1r s LEU 123 Ca 0.28 -1.60 -0.16 0.00 0.02 0.00 0.00 54.13 52.67 3m1r s LEU 123 Cb -0.16 -1.84 0.21 0.00 0.02 0.00 0.00 46.19 44.42 3m1r s LEU 123 CO 0.12 -0.44 1.18 -0.83 0.02 0.00 0.00 176.35 176.39 3m1r s GLY 124 N 1.70 1.63 0.00 -3.19 0.00 -0.42 -0.52 107.32 106.52 3m1r s GLY 124 Ca 0.02 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.88 3m1r s GLY 124 CO -0.01 -0.12 0.00 0.61 0.00 0.00 0.00 173.10 173.58 3m1r n GLY 125 N -2.13 -1.06 3.87 0.20 0.00 -0.18 -3.39 105.19 102.50 3m1r n GLY 125 Ca 0.11 -1.52 -0.24 0.00 0.00 0.00 0.00 46.02 44.38 3m1r n GLY 125 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3m1r n ASP 126 N -1.16 1.24 0.17 1.61 5.68 -0.07 -2.26 116.55 121.77 3m1r n ASP 126 Ca 0.00 -2.08 0.13 0.00 -0.50 0.00 0.00 54.79 52.34 3m1r n ASP 126 Cb 0.00 -0.68 0.59 0.00 -1.14 0.00 0.00 41.12 39.89 3m1r n ASP 126 CO 0.00 0.00 0.00 -1.13 -1.33 0.00 0.00 177.20 174.74 3m1r h ASN 127 N -0.69 0.00 0.49 -1.12 -0.00 -1.91 -2.89 115.58 109.46 3m1r h ASN 127 Ca -0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 55.95 3m1r h ASN 127 Cb 1.22 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.54 3m1r h ASN 127 CO 0.35 0.00 -0.04 0.77 -0.00 0.00 0.00 177.43 178.51 3m1r h SER 128 N 0.00 0.00 0.64 1.15 4.64 -1.82 -2.70 113.55 115.46 3m1r h SER 128 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m1r h SER 128 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3m1r h SER 128 CO 0.00 0.04 0.00 0.16 -0.87 0.00 0.00 176.83 176.16 3m1r h ILE 129 N 0.00 0.00 -0.25 0.95 3.07 -1.88 -3.07 117.51 116.32 3m1r h ILE 129 Ca -0.00 -0.25 -0.04 0.00 1.55 0.00 0.00 64.86 66.11 3m1r h ILE 129 Cb 0.30 1.04 -0.01 0.00 -0.27 0.00 0.00 36.82 37.88 3m1r h ILE 129 CO 0.01 0.00 -0.03 0.28 -1.05 0.00 0.00 178.15 177.36 3m1r h SER 130 N 0.00 0.35 -0.24 2.16 0.02 -1.73 -1.91 113.55 112.20 3m1r h SER 130 Ca 0.00 -0.06 0.05 0.00 -0.84 0.00 0.00 61.79 60.94 3m1r h SER 130 Cb 0.32 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.72 3m1r h SER 130 CO 0.00 0.44 -0.10 0.22 -1.14 0.00 0.00 176.83 176.25 3m1r h TYR 131 N 0.37 -0.23 0.08 3.45 3.20 -1.78 -0.58 116.97 121.47 3m1r h TYR 131 Ca 0.08 0.02 -0.25 0.00 3.14 0.00 0.00 58.73 61.73 3m1r h TYR 131 Cb 0.29 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 3m1r h TYR 131 CO 0.01 -0.16 -1.14 0.77 -1.64 0.00 0.00 178.16 176.00 3m1r h SER 132 N -0.06 0.29 -0.18 -2.11 0.02 -1.68 -1.43 113.55 108.40 3m1r h SER 132 Ca 0.12 -0.30 -0.07 0.00 -0.84 0.00 0.00 61.79 60.70 3m1r h SER 132 Cb 0.25 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 3m1r h SER 132 CO -0.28 1.23 -0.18 0.71 -1.14 0.00 0.00 176.83 177.17 3m1r h THR 133 N 0.06 1.34 -0.51 -2.27 1.35 -1.29 -2.35 112.91 109.23 3m1r h THR 133 Ca -0.09 -1.34 -0.13 0.00 -0.55 0.00 0.00 66.41 64.30 3m1r h THR 133 Cb 1.88 1.81 -0.01 0.00 -1.73 0.00 0.00 68.15 70.10 3m1r h THR 133 CO 0.18 0.40 -0.18 0.40 -0.25 0.00 0.00 175.52 176.07 3m1r h ILE 134 N 0.09 1.27 -0.36 6.82 2.04 -1.14 -2.02 117.51 124.20 3m1r h ILE 134 Ca 0.03 -1.35 0.06 0.00 1.00 0.00 0.00 64.86 64.60 3m1r h ILE 134 Cb 0.72 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.81 3m1r h ILE 134 CO 0.04 0.47 0.05 0.50 0.00 0.00 0.00 178.15 179.21 3m1r h LYS 135 N 0.89 0.16 -0.96 2.37 3.64 -1.29 0.21 116.57 121.58 3m1r h LYS 135 Ca 0.12 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.54 3m1r h LYS 135 Cb 0.76 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.48 3m1r h LYS 135 CO 0.06 0.10 0.62 0.00 -2.27 0.00 0.00 179.45 177.97 3m1r h ALA 136 N 1.29 1.31 0.40 5.00 0.00 -1.29 -0.79 119.26 125.17 3m1r h ALA 136 Ca 0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3m1r h ALA 136 Cb 0.22 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3m1r h ALA 136 CO -0.25 0.45 -0.19 0.82 0.00 0.00 0.00 179.25 180.08 3m1r h ILE 137 N 1.17 0.58 -0.88 0.00 1.08 -0.49 -2.21 117.51 116.76 3m1r h ILE 137 Ca 0.40 -0.39 0.09 0.00 -0.39 0.00 0.00 64.86 64.57 3m1r h ILE 137 Cb 0.09 0.77 -0.06 0.00 -3.07 0.00 0.00 36.82 34.54 3m1r h ILE 137 CO -0.15 0.07 0.57 0.00 -0.69 0.00 0.00 178.15 177.95 3m1r h ALA 138 N -0.28 1.61 -0.00 1.87 0.00 -0.46 0.24 119.26 122.24 3m1r h ALA 138 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3m1r h ALA 138 Cb 0.52 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3m1r h ALA 138 CO 0.09 0.22 -0.39 1.04 0.00 0.00 0.00 179.25 180.20 3m1r n GLN 139 N -4.52 0.37 -0.03 0.00 6.02 -0.32 -2.09 117.38 116.82 3m1r n GLN 139 Ca 0.15 -0.22 -0.01 0.00 -0.01 0.00 0.00 57.00 56.91 3m1r n GLN 139 Cb 0.28 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.98 3m1r n GLN 139 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3m1r n THR 140 N -1.12 0.35 0.08 5.09 -2.24 -0.83 -4.78 114.28 110.83 3m1r n THR 140 Ca 0.08 -0.27 0.08 0.00 -2.27 0.00 0.00 64.05 61.67 3m1r n THR 140 Cb 0.34 -0.45 -0.12 0.00 -2.10 0.00 0.00 70.33 68.00 3m1r n THR 140 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3m1r n LYS 141 N -2.12 0.66 0.00 -0.78 4.76 0.79 -5.02 118.16 116.45 3m1r n LYS 141 Ca -0.09 -0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.23 3m1r n LYS 141 Cb 0.57 -1.36 0.00 0.00 -1.84 0.00 0.00 35.03 32.40 3m1r n LYS 141 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3m1r n GLY 142 N 1.57 -0.07 3.68 0.72 0.00 -0.89 -4.85 105.19 105.34 3m1r n GLY 142 Ca -0.02 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 3m1r n GLY 142 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3m1r s THR 143 N 0.00 3.19 -0.06 2.61 2.01 -1.26 -4.41 115.64 117.71 3m1r s THR 143 Ca 0.00 0.47 0.05 0.00 0.31 0.00 0.00 61.69 62.52 3m1r s THR 143 Cb 0.00 -3.31 -0.00 0.00 0.01 0.00 0.00 72.50 69.20 3m1r s THR 143 CO 0.00 -0.02 -0.21 -0.89 -0.69 0.00 0.00 174.62 172.81 3m1r s THR 144 N 3.33 1.78 -0.05 -0.82 2.01 -1.26 -1.16 115.64 119.47 3m1r s THR 144 Ca 0.76 -0.90 -0.08 0.00 0.31 0.00 0.00 61.69 61.78 3m1r s THR 144 Cb -0.38 -1.53 -0.05 0.00 0.01 0.00 0.00 72.50 70.55 3m1r s THR 144 CO 0.33 0.50 0.23 0.00 -0.69 0.00 0.00 174.62 174.99 3m1r s ALA 145 N 0.05 3.84 -0.11 7.40 0.00 0.14 -4.75 121.76 128.33 3m1r s ALA 145 Ca -0.07 -0.55 0.03 0.00 0.00 0.00 0.00 51.96 51.37 3m1r s ALA 145 Cb -0.14 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 20.91 3m1r s ALA 145 CO 0.04 0.61 -0.23 0.08 0.00 0.00 0.00 175.76 176.26 3m1r s VAL 146 N -1.14 2.07 -0.36 0.00 1.01 -0.66 -0.71 120.40 120.61 3m1r s VAL 146 Ca 0.21 -1.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.08 3m1r s VAL 146 Cb -0.13 -1.80 0.01 0.00 0.00 0.00 0.00 36.38 34.46 3m1r s VAL 146 CO 0.10 0.56 0.22 -0.63 0.00 0.00 0.00 175.10 175.35 3m1r s ILE 147 N 0.51 4.84 -0.47 2.22 1.01 -0.50 -0.39 121.20 128.43 3m1r s ILE 147 Ca -0.15 -0.60 -0.07 0.00 0.00 0.00 0.00 60.65 59.83 3m1r s ILE 147 Cb -0.17 -3.61 0.12 0.00 0.01 0.00 0.00 42.46 38.81 3m1r s ILE 147 CO 0.05 -0.14 0.32 -1.58 0.00 0.00 0.00 174.94 173.59 3m1r s GLN 148 N 1.62 2.37 -0.22 2.79 0.74 0.18 -1.02 119.66 126.12 3m1r s GLN 148 Ca 0.04 -1.83 -0.29 0.00 0.05 0.00 0.00 55.36 53.33 3m1r s GLN 148 Cb -0.18 -3.83 0.00 0.00 1.10 0.00 0.00 33.01 30.09 3m1r s GLN 148 CO 0.08 -1.16 1.15 -0.06 -0.55 0.00 0.00 175.29 174.75 3m1r s PHE 149 N 1.22 3.07 -0.20 1.67 0.08 -0.28 -1.13 117.98 122.40 3m1r s PHE 149 Ca 0.07 1.21 -0.28 0.00 0.12 0.00 0.00 56.93 58.05 3m1r s PHE 149 Cb -0.25 -3.46 0.12 0.00 -0.57 0.00 0.00 43.02 38.86 3m1r s PHE 149 CO -0.02 -1.10 0.96 0.34 -0.10 0.00 0.00 175.22 175.30 3m1r s ASP 150 N 1.69 -0.45 0.40 1.36 -1.08 -0.54 -1.48 116.67 116.58 3m1r s ASP 150 Ca 0.49 0.69 0.23 0.00 -0.52 0.00 0.00 52.55 53.44 3m1r s ASP 150 Cb -0.17 0.63 0.36 0.00 -1.46 0.00 0.00 42.92 42.28 3m1r s ASP 150 CO 0.12 -0.29 1.58 0.00 0.52 0.00 0.00 175.17 177.11 3m1r h ALA 151 N 3.42 0.96 -3.70 3.66 0.00 -1.76 -2.51 119.26 119.33 3m1r h ALA 151 Ca -0.24 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.00 3m1r h ALA 151 Cb 1.17 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.77 3m1r h ALA 151 CO 0.22 0.00 -0.79 -1.01 0.00 0.00 0.00 179.25 177.67 3m1r s HIS 152 N -3.21 2.58 0.23 0.00 3.76 -1.26 -1.66 115.29 115.73 3m1r s HIS 152 Ca 0.07 -0.24 -0.05 0.00 -0.15 0.00 0.00 55.06 54.69 3m1r s HIS 152 Cb 0.06 -1.37 0.24 0.00 1.11 0.00 0.00 32.58 32.62 3m1r s HIS 152 CO 0.67 0.39 1.74 0.45 -0.85 0.00 0.00 174.74 177.14 3m1r h HIS 153 N 3.73 1.00 -5.09 1.40 3.86 -1.90 -3.48 115.15 114.67 3m1r h HIS 153 Ca -0.50 -0.13 -0.29 0.00 -1.16 0.00 0.00 60.37 58.29 3m1r h HIS 153 Cb 1.17 -0.28 0.14 0.00 1.06 0.00 0.00 27.41 29.50 3m1r h HIS 153 CO 0.60 0.87 -0.64 -0.25 0.86 0.00 0.00 177.93 179.37 3m1r n ASP 154 N -4.22 -2.84 -1.77 2.45 8.00 -1.26 -4.85 116.55 112.05 3m1r n ASP 154 Ca 0.04 -0.51 -0.11 0.00 0.71 0.00 0.00 54.79 54.92 3m1r n ASP 154 Cb 0.29 -4.40 0.07 0.00 -0.02 0.00 0.00 41.12 37.05 3m1r n ASP 154 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3m1r n VAL 155 N -3.86 2.04 -1.28 2.53 0.24 -1.19 -2.01 118.33 114.79 3m1r n VAL 155 Ca -0.19 -3.51 -0.32 0.00 -2.04 0.00 0.00 64.34 58.28 3m1r n VAL 155 Cb 0.62 -0.34 0.10 0.00 -1.47 0.00 0.00 33.84 32.75 3m1r n VAL 155 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3m1r s ARG 156 N -3.26 2.11 0.63 7.34 3.52 -0.67 -4.70 118.95 123.92 3m1r s ARG 156 Ca 0.42 1.38 -0.15 0.00 -0.13 0.00 0.00 55.73 57.26 3m1r s ARG 156 Cb 0.38 -1.86 -0.02 0.00 -1.56 0.00 0.00 34.95 31.89 3m1r s ARG 156 CO -0.02 -1.79 1.07 0.54 -0.81 0.00 0.00 175.30 174.30 3m1r s ASN 157 N -2.87 5.48 -0.00 -2.12 2.20 -1.26 -4.49 114.94 111.88 3m1r s ASN 157 Ca 0.65 1.84 0.21 0.00 -0.94 0.00 0.00 52.86 54.63 3m1r s ASN 157 Cb -0.21 -2.53 -0.21 0.00 -2.00 0.00 0.00 41.25 36.30 3m1r s ASN 157 CO 0.52 -1.38 0.84 0.35 -2.94 0.00 0.00 177.10 174.49 3m1r n THR 158 N -2.36 0.01 -0.18 0.54 -2.24 -1.26 -4.48 114.28 104.30 3m1r n THR 158 Ca 0.09 -0.11 -0.06 0.00 -2.27 0.00 0.00 64.05 61.71 3m1r n THR 158 Cb 0.53 0.75 0.11 0.00 -2.10 0.00 0.00 70.33 69.62 3m1r n THR 158 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3m1r h GLU 159 N 0.00 0.97 0.13 -0.78 3.07 -1.95 -2.37 114.58 113.64 3m1r h GLU 159 Ca 0.00 -0.24 -0.28 0.00 -0.50 0.00 0.00 59.36 58.34 3m1r h GLU 159 Cb 0.60 -0.12 0.01 0.00 -0.84 0.00 0.00 28.75 28.40 3m1r h GLU 159 CO 0.00 0.90 -1.24 -0.44 -1.40 0.00 0.00 179.01 176.83 3m1r h ASP 160 N 0.91 0.47 0.00 1.42 3.32 -2.02 -3.39 116.42 117.13 3m1r h ASP 160 Ca 0.18 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 56.75 3m1r h ASP 160 Cb 0.40 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3m1r h ASP 160 CO 0.01 1.37 -0.11 0.61 -1.72 0.00 0.00 179.24 179.40 3m1r n GLY 161 N 1.50 -0.11 7.00 2.75 0.00 -1.25 -5.14 105.19 109.94 3m1r n GLY 161 Ca -0.09 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3m1r n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m1r n GLY 162 N -0.26 -0.99 2.87 -0.02 0.00 -0.89 -4.25 105.19 101.65 3m1r n GLY 162 Ca 0.02 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 3m1r n GLY 162 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3m1r n PRO 163 N -0.02 2.28 -1.36 1.61 -0.02 -1.26 -4.65 135.00 131.58 3m1r n PRO 163 Ca 0.00 -2.25 -0.29 0.00 -2.02 0.00 0.00 63.50 58.93 3m1r n PRO 163 Cb 0.00 -3.11 0.14 0.00 -0.02 0.00 0.00 33.50 30.51 3m1r n PRO 163 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3m1r s THR 164 N 3.94 2.44 0.56 3.45 -4.23 -1.26 -4.90 115.64 115.65 3m1r s THR 164 Ca 0.52 0.14 0.35 0.00 -1.18 0.00 0.00 61.69 61.52 3m1r s THR 164 Cb 0.14 -2.76 0.38 0.00 1.34 0.00 0.00 72.50 71.60 3m1r s THR 164 CO -0.00 -0.19 2.25 -0.55 -0.54 0.00 0.00 174.62 175.60 3m1r h ASN 165 N -1.52 0.00 0.63 3.99 -1.07 -1.66 -2.24 115.58 113.71 3m1r h ASN 165 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.87 3m1r h ASN 165 Cb 1.30 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.55 3m1r h ASN 165 CO 0.58 0.02 0.00 0.61 0.07 0.00 0.00 177.43 178.71 3m1r n GLY 166 N -1.05 -1.13 0.46 9.14 0.00 -1.26 -3.97 105.19 107.38 3m1r n GLY 166 Ca -0.03 -0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.03 3m1r n GLY 166 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3m1r n THR 167 N -1.66 0.00 -0.10 2.61 -2.24 -0.84 -1.66 114.28 110.39 3m1r n THR 167 Ca 0.04 -0.46 0.02 0.00 -2.27 0.00 0.00 64.05 61.38 3m1r n THR 167 Cb 0.21 1.24 0.34 0.00 -2.10 0.00 0.00 70.33 70.02 3m1r n THR 167 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3m1r h PRO 168 N 2.28 0.75 0.00 -0.78 0.13 -1.74 -2.22 132.00 130.43 3m1r h PRO 168 Ca 0.00 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.08 3m1r h PRO 168 Cb 0.52 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 31.48 3m1r h PRO 168 CO 0.00 0.50 -0.32 0.74 -0.23 0.00 0.00 178.00 178.70 3m1r h PHE 169 N 0.77 0.00 0.48 1.56 -1.00 -1.71 -1.87 116.94 115.17 3m1r h PHE 169 Ca 0.21 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.96 3m1r h PHE 169 Cb -0.08 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.49 3m1r h PHE 169 CO 0.00 0.01 -0.23 -0.09 -1.61 0.00 0.00 178.31 176.39 3m1r h ARG 170 N 0.00 -0.62 -0.20 1.51 9.65 -1.39 -1.43 114.38 121.90 3m1r h ARG 170 Ca -0.00 0.04 0.05 0.00 -1.10 0.00 0.00 59.98 58.97 3m1r h ARG 170 Cb 1.01 0.14 -0.06 0.00 -1.39 0.00 0.00 29.97 29.68 3m1r h ARG 170 CO 0.00 -0.36 -0.15 0.00 2.80 0.00 0.00 179.97 182.26 3m1r h ARG 171 N -0.76 -0.15 -0.97 0.20 3.08 -1.43 0.04 114.38 114.38 3m1r h ARG 171 Ca -0.07 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.04 3m1r h ARG 171 Cb 0.55 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.57 3m1r h ARG 171 CO 0.11 -0.10 0.63 -0.07 -1.07 0.00 0.00 179.97 179.47 3m1r h LEU 172 N -0.16 1.03 0.29 3.04 3.38 -1.33 -0.50 115.31 121.05 3m1r h LEU 172 Ca 0.12 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3m1r h LEU 172 Cb 0.34 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3m1r h LEU 172 CO -0.30 0.69 -0.14 -0.07 0.09 0.00 0.00 178.44 178.72 3m1r h LEU 173 N 1.18 -0.32 -1.09 1.67 4.07 -0.75 -1.97 115.31 118.10 3m1r h LEU 173 Ca 0.40 -0.10 0.34 0.00 0.08 0.00 0.00 57.88 58.60 3m1r h LEU 173 Cb 0.07 0.08 -0.14 0.00 1.08 0.00 0.00 40.66 41.75 3m1r h LEU 173 CO -0.13 0.16 0.61 0.44 -1.08 0.00 0.00 178.44 178.44 3m1r h ASP 174 N -1.05 0.46 -0.42 -0.43 3.45 -0.94 0.31 116.42 117.81 3m1r h ASP 174 Ca -0.04 0.18 0.00 0.00 0.43 0.00 0.00 57.03 57.60 3m1r h ASP 174 Cb 0.41 0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.31 3m1r h ASP 174 CO 0.06 -0.15 0.00 -0.62 -1.57 0.00 0.00 179.24 176.97 3m1r n GLU 175 N -4.98 2.03 -1.86 3.56 1.02 -0.20 -4.89 120.64 115.31 3m1r n GLU 175 Ca 0.33 -1.59 -0.15 0.00 -0.02 0.00 0.00 57.16 55.72 3m1r n GLU 175 Cb 1.06 -1.36 -0.04 0.00 -0.02 0.00 0.00 31.44 31.08 3m1r n GLU 175 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3m1r n GLU 176 N 0.79 -1.64 0.15 3.49 1.02 0.11 -4.79 120.64 119.78 3m1r n GLU 176 Ca 0.15 0.83 0.03 0.00 -0.02 0.00 0.00 57.16 58.15 3m1r n GLU 176 Cb 0.38 -5.25 0.14 0.00 -0.02 0.00 0.00 31.44 26.69 3m1r n GLU 176 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3m1r h ILE 177 N 0.00 0.93 -3.53 -3.67 2.10 -1.58 -3.44 117.51 108.32 3m1r h ILE 177 Ca -0.33 -2.03 -0.31 0.00 1.08 0.00 0.00 64.86 63.27 3m1r h ILE 177 Cb 1.11 2.26 -0.15 0.00 -1.09 0.00 0.00 36.82 38.95 3m1r h ILE 177 CO 0.44 0.48 -0.69 0.27 -1.08 0.00 0.00 178.15 177.57 3m1r s ILE 178 N -3.20 0.96 -0.06 2.19 -4.36 -1.19 -4.86 121.20 110.68 3m1r s ILE 178 Ca 0.02 -2.02 -0.11 0.00 -0.26 0.00 0.00 60.65 58.28 3m1r s ILE 178 Cb 0.09 -1.94 -0.05 0.00 1.25 0.00 0.00 42.46 41.81 3m1r s ILE 178 CO 0.73 -0.66 0.28 -1.61 0.24 0.00 0.00 174.94 173.91 3m1r s GLU 179 N -3.81 3.71 0.25 0.37 2.02 -1.26 -4.56 118.70 115.42 3m1r s GLU 179 Ca 0.19 0.14 -0.07 0.00 0.02 0.00 0.00 54.97 55.25 3m1r s GLU 179 Cb 0.04 -3.22 0.44 0.00 0.10 0.00 0.00 34.13 31.49 3m1r s GLU 179 CO 0.01 0.71 1.62 0.78 0.02 0.00 0.00 175.26 178.40 3m1r h GLY 180 N 4.94 0.81 2.00 -1.39 0.00 -1.88 0.52 103.07 108.08 3m1r h GLY 180 Ca -0.53 0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3m1r h GLY 180 CO 0.61 -0.30 0.00 0.61 0.00 0.00 0.00 176.54 177.45 3m1r n GLN 181 N -5.39 0.06 -0.21 4.80 10.64 -1.18 0.20 117.38 126.30 3m1r n GLN 181 Ca 0.14 0.42 0.12 0.00 -1.83 0.00 0.00 57.00 55.85 3m1r n GLN 181 Cb 0.48 -1.64 0.23 0.00 -0.86 0.00 0.00 30.24 28.44 3m1r n GLN 181 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 3m1r n HIS 182 N -1.76 0.55 -3.36 2.61 8.25 0.16 -4.79 115.22 116.89 3m1r n HIS 182 Ca 0.01 -0.28 -0.39 0.00 -0.26 0.00 0.00 57.72 56.80 3m1r n HIS 182 Cb 0.11 -0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.13 3m1r n HIS 182 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3m1r s LEU 183 N -1.42 4.08 -0.28 2.41 0.20 0.13 -1.65 118.68 122.16 3m1r s LEU 183 Ca 0.40 0.27 -0.07 0.00 0.69 0.00 0.00 54.13 55.42 3m1r s LEU 183 Cb 0.23 -2.46 0.00 0.00 -0.43 0.00 0.00 46.19 43.53 3m1r s LEU 183 CO 0.32 -0.23 0.07 -0.63 -0.29 0.00 0.00 176.35 175.59 3m1r s ILE 184 N 2.12 3.98 -0.35 6.68 1.01 0.48 -1.57 121.20 133.56 3m1r s ILE 184 Ca 0.16 -0.58 -0.10 0.00 0.00 0.00 0.00 60.65 60.13 3m1r s ILE 184 Cb -0.16 -3.00 0.01 0.00 0.01 0.00 0.00 42.46 39.33 3m1r s ILE 184 CO 0.10 0.16 0.18 -1.10 0.00 0.00 0.00 174.94 174.28 3m1r s GLN 185 N 1.52 3.02 -0.24 2.79 -0.21 0.15 0.50 119.66 127.19 3m1r s GLN 185 Ca 0.04 -0.94 -0.06 0.00 0.02 0.00 0.00 55.36 54.42 3m1r s GLN 185 Cb -0.17 -3.65 -0.02 0.00 1.00 0.00 0.00 33.01 30.17 3m1r s GLN 185 CO 0.02 -0.59 0.02 -0.51 -2.12 0.00 0.00 175.29 172.11 3m1r s LEU 186 N 1.57 3.22 0.00 2.90 1.43 -0.28 -0.84 118.68 126.68 3m1r s LEU 186 Ca 0.03 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 3m1r s LEU 186 Cb -0.18 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.20 3m1r s LEU 186 CO 0.06 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.21 3m1r n GLY 187 N 4.86 1.18 3.63 -3.19 0.00 -0.42 -1.46 105.19 109.79 3m1r n GLY 187 Ca -0.17 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.33 3m1r n GLY 187 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3m1r n ILE 188 N -1.09 0.37 -4.23 -0.61 2.08 -0.94 -3.92 119.36 111.02 3m1r n ILE 188 Ca 0.00 -0.13 -0.34 0.00 0.56 0.00 0.00 62.75 62.84 3m1r n ILE 188 Cb 0.00 -1.57 -0.11 0.00 -0.75 0.00 0.00 39.64 37.21 3m1r n ILE 188 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 3m1r s ARG 189 N 4.48 3.71 0.26 0.38 3.52 -0.66 -4.35 118.95 126.29 3m1r s ARG 189 Ca 1.00 -0.43 -0.30 0.00 -0.13 0.00 0.00 55.73 55.86 3m1r s ARG 189 Cb -0.88 -3.02 -0.13 0.00 -1.56 0.00 0.00 34.95 29.35 3m1r s ARG 189 CO 0.56 0.32 1.33 -1.91 -0.81 0.00 0.00 175.30 174.80 3m1r n GLU 190 N 3.33 1.93 -0.87 5.12 2.13 -1.26 -1.25 120.64 129.77 3m1r n GLU 190 Ca -0.17 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.33 3m1r n GLU 190 Cb 0.53 -2.29 0.00 0.00 0.27 0.00 0.00 31.44 29.94 3m1r n GLU 190 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 3m1r n PHE 191 N 1.42 0.00 1.15 4.31 3.01 -1.26 -4.86 117.46 121.23 3m1r n PHE 191 Ca 0.10 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.68 3m1r n PHE 191 Cb 0.32 -0.57 0.21 0.00 -0.01 0.00 0.00 39.48 39.42 3m1r n PHE 191 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3m1r n SER 192 N -0.09 1.72 -4.08 4.37 7.64 -0.38 -5.02 113.62 117.78 3m1r n SER 192 Ca 0.00 -1.34 -0.22 0.00 1.01 0.00 0.00 58.87 58.32 3m1r n SER 192 Cb 0.04 0.25 -0.09 0.00 -1.01 0.00 0.00 64.21 63.40 3m1r n SER 192 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3m1r s ASN 193 N -2.38 2.14 -0.02 6.43 0.01 -1.26 -4.77 114.94 115.09 3m1r s ASN 193 Ca 0.24 -1.59 0.05 0.00 -0.71 0.00 0.00 52.86 50.85 3m1r s ASN 193 Cb 0.19 0.37 -0.03 0.00 0.41 0.00 0.00 41.25 42.20 3m1r s ASN 193 CO 0.50 -0.87 -0.16 -0.44 -1.51 0.00 0.00 177.10 174.61 3m1r s SER 194 N -3.48 3.89 0.15 -1.22 0.01 -1.26 -5.04 113.70 106.75 3m1r s SER 194 Ca 0.31 -0.29 -0.20 0.00 1.31 0.00 0.00 55.95 57.09 3m1r s SER 194 Cb 0.04 -0.74 0.04 0.00 0.21 0.00 0.00 66.02 65.58 3m1r s SER 194 CO 0.16 0.31 1.66 -0.61 0.41 0.00 0.00 173.24 175.18 3m1r h GLN 195 N 5.08 -0.11 0.00 12.44 4.15 -2.01 0.11 115.11 134.76 3m1r h GLN 195 Ca -0.47 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 58.92 3m1r h GLN 195 Cb 1.15 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.86 3m1r h GLN 195 CO 0.49 -0.07 -0.21 0.00 -1.93 0.00 0.00 178.83 177.11 3m1r h ALA 196 N 1.10 1.35 0.18 3.38 0.00 -1.98 -0.23 119.26 123.05 3m1r h ALA 196 Ca 0.15 -0.19 -0.31 0.00 0.00 0.00 0.00 54.91 54.56 3m1r h ALA 196 Cb 0.34 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.11 3m1r h ALA 196 CO -0.35 0.26 -1.38 1.88 0.00 0.00 0.00 179.25 179.66 3m1r h TYR 197 N 0.00 0.69 -0.15 0.00 0.05 -1.61 -2.00 116.97 113.95 3m1r h TYR 197 Ca -0.00 -0.51 -0.04 0.00 0.05 0.00 0.00 58.73 58.23 3m1r h TYR 197 Cb 0.47 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.17 3m1r h TYR 197 CO 0.00 1.42 -0.10 1.49 -1.05 0.00 0.00 178.16 179.92 3m1r h GLU 198 N 0.10 0.24 -0.18 4.88 4.81 -0.57 -2.20 114.58 121.66 3m1r h GLU 198 Ca -0.20 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.97 3m1r h GLU 198 Cb 2.06 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 31.40 3m1r h GLU 198 CO 0.23 0.35 0.06 0.00 -0.73 0.00 0.00 179.01 178.92 3m1r h ALA 199 N 1.68 0.23 -0.78 2.92 0.00 -0.82 -0.97 119.26 121.52 3m1r h ALA 199 Ca 0.05 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.91 3m1r h ALA 199 Cb 0.32 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 3m1r h ALA 199 CO 0.02 -0.16 0.45 -0.92 0.00 0.00 0.00 179.25 178.64 3m1r h TYR 200 N 0.12 0.83 -0.26 0.00 3.20 -1.09 0.16 116.97 119.92 3m1r h TYR 200 Ca 0.06 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 3m1r h TYR 200 Cb 0.20 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3m1r h TYR 200 CO -0.01 0.38 -0.06 0.00 -1.64 0.00 0.00 178.16 176.83 3m1r h ALA 201 N 1.41 0.36 -0.34 1.82 0.00 -1.05 -2.59 119.26 118.86 3m1r h ALA 201 Ca 0.36 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3m1r h ALA 201 Cb 0.25 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3m1r h ALA 201 CO -0.21 0.16 0.21 0.87 0.00 0.00 0.00 179.25 180.29 3m1r h LYS 202 N 0.25 0.46 0.00 0.00 1.57 -0.82 -1.91 116.57 116.11 3m1r h LYS 202 Ca 0.07 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3m1r h LYS 202 Cb 0.53 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3m1r h LYS 202 CO 0.03 0.33 0.00 0.87 -0.57 0.00 0.00 179.45 180.11 3m1r h LYS 203 N 0.45 0.00 -0.26 3.15 1.57 -0.48 0.34 116.57 121.34 3m1r h LYS 203 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3m1r h LYS 203 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3m1r h LYS 203 CO -0.02 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.58 3m1r n HIS 204 N -2.86 0.33 -3.12 -1.35 8.25 -1.00 -4.98 115.22 110.50 3m1r n HIS 204 Ca -0.03 -0.18 -0.20 0.00 -0.26 0.00 0.00 57.72 57.05 3m1r n HIS 204 Cb 0.06 -0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.22 3m1r n HIS 204 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3m1r n ASN 205 N 1.33 -5.73 -4.77 0.41 3.02 0.12 -3.52 115.26 106.12 3m1r n ASN 205 Ca 0.16 -0.33 -0.41 0.00 -0.03 0.00 0.00 54.58 53.97 3m1r n ASN 205 Cb 0.57 -4.49 -0.02 0.00 -0.61 0.00 0.00 39.78 35.23 3m1r n ASN 205 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3m1r s VAL 206 N -3.17 2.56 -0.80 2.41 1.01 -0.75 -3.09 120.40 118.58 3m1r s VAL 206 Ca 0.36 0.55 -0.26 0.00 0.00 0.00 0.00 61.98 62.62 3m1r s VAL 206 Cb -0.16 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 32.91 3m1r s VAL 206 CO 0.44 0.12 1.36 0.20 0.00 0.00 0.00 175.10 177.22 3m1r s ASN 207 N -0.23 6.17 -0.38 3.32 0.01 -0.61 -4.82 114.94 118.41 3m1r s ASN 207 Ca 0.52 -0.63 -0.15 0.00 -0.71 0.00 0.00 52.86 51.89 3m1r s ASN 207 Cb -0.42 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 38.69 3m1r s ASN 207 CO 0.53 -1.81 0.31 -0.63 -1.51 0.00 0.00 177.10 173.99 3m1r s ILE 208 N 5.81 5.23 -0.29 0.60 1.01 -1.26 -0.68 121.20 131.63 3m1r s ILE 208 Ca 0.40 -0.35 -0.03 0.00 0.00 0.00 0.00 60.65 60.67 3m1r s ILE 208 Cb -0.06 -3.85 0.04 0.00 0.01 0.00 0.00 42.46 38.59 3m1r s ILE 208 CO 0.10 -0.18 0.01 -1.00 0.00 0.00 0.00 174.94 173.86 3m1r s HIS 209 N 1.81 3.18 0.00 3.97 3.76 -0.02 -5.00 115.29 122.99 3m1r s HIS 209 Ca 0.07 -1.59 0.00 0.00 -0.15 0.00 0.00 55.06 53.39 3m1r s HIS 209 Cb -0.18 -2.13 0.00 0.00 1.11 0.00 0.00 32.58 31.38 3m1r s HIS 209 CO 0.11 -0.74 0.00 0.25 -0.85 0.00 0.00 174.74 173.51 3m1r n THR 210 N 4.70 0.00 -0.44 1.30 -2.24 -1.26 -1.29 114.28 115.04 3m1r n THR 210 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3m1r n THR 210 Cb 0.45 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 3m1r n THR 210 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3m1r n ASP 212 N 0.00 0.00 0.00 3.42 9.92 -1.26 -4.60 116.55 124.03 3m1r n ASP 212 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3m1r n ASP 212 Cb 0.00 -0.44 0.00 0.00 -0.64 0.00 0.00 41.12 40.04 3m1r n ASP 212 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 3m1r n ILE 214 N -0.44 0.00 -0.03 0.53 5.41 -1.26 -1.51 119.36 122.07 3m1r n ILE 214 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.73 3m1r n ILE 214 Cb 0.00 0.00 0.25 0.00 -0.71 0.00 0.00 39.64 39.18 3m1r n ILE 214 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3m1r h ARG 215 N 0.00 0.59 0.11 0.38 2.47 -1.91 1.44 114.38 117.46 3m1r h ARG 215 Ca 0.00 -0.14 -0.01 0.00 -1.26 0.00 0.00 59.98 58.57 3m1r h ARG 215 Cb 0.00 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.24 3m1r h ARG 215 CO 0.00 0.63 -0.05 0.93 0.56 0.00 0.00 179.97 182.04 3m1r h GLU 216 N 0.56 -0.14 0.00 0.04 5.08 -1.67 -3.39 114.58 115.07 3m1r h GLU 216 Ca 0.12 0.01 -0.25 0.00 -1.00 0.00 0.00 59.36 58.24 3m1r h GLU 216 Cb 0.39 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 3m1r h GLU 216 CO 0.02 0.35 -1.48 0.87 -1.00 0.00 0.00 179.01 177.77 3m1r h LYS 217 N -0.75 0.00 0.00 2.33 1.57 -1.79 -3.51 116.57 114.42 3m1r h LYS 217 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3m1r h LYS 217 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3m1r h LYS 217 CO 0.02 0.56 0.00 0.41 -0.57 0.00 0.00 179.45 179.87 3m1r n GLY 218 N 1.48 1.00 0.12 3.86 0.00 0.49 -4.61 105.19 107.52 3m1r n GLY 218 Ca -0.12 -1.54 -0.13 0.00 0.00 0.00 0.00 46.02 44.23 3m1r n GLY 218 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3m1r h LEU 219 N 0.00 -0.16 -0.07 0.99 5.85 -1.97 -1.22 115.31 118.73 3m1r h LEU 219 Ca 0.00 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 3m1r h LEU 219 Cb 0.00 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 3m1r h LEU 219 CO 0.00 0.14 0.03 0.40 -0.34 0.00 0.00 178.44 178.67 3m1r h ILE 220 N -0.47 1.11 -0.71 4.05 1.08 -1.93 -0.68 117.51 119.96 3m1r h ILE 220 Ca -0.02 -0.33 0.06 0.00 -0.39 0.00 0.00 64.86 64.19 3m1r h ILE 220 Cb 0.37 1.20 -0.04 0.00 -3.07 0.00 0.00 36.82 35.28 3m1r h ILE 220 CO 0.03 0.09 0.46 -0.65 -0.69 0.00 0.00 178.15 177.40 3m1r h PRO 221 N -0.01 0.71 -0.62 2.37 0.11 -1.81 0.41 132.00 133.16 3m1r h PRO 221 Ca 0.02 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 3m1r h PRO 221 Cb 0.12 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.05 3m1r h PRO 221 CO -0.00 0.47 0.29 1.15 -0.21 0.00 0.00 178.00 179.70 3m1r h THR 222 N 0.73 1.22 -0.40 -1.15 2.02 -0.79 -2.34 112.91 112.20 3m1r h THR 222 Ca 0.30 -0.61 -0.02 0.00 0.77 0.00 0.00 66.41 66.85 3m1r h THR 222 Cb 0.26 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 3m1r h THR 222 CO -0.10 0.25 0.17 0.40 0.37 0.00 0.00 175.52 176.61 3m1r h ILE 223 N 0.84 1.19 0.00 3.11 2.04 0.23 -2.89 117.51 122.03 3m1r h ILE 223 Ca 0.21 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3m1r h ILE 223 Cb 0.12 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3m1r h ILE 223 CO -0.03 0.20 0.00 0.29 0.00 0.00 0.00 178.15 178.62 3m1r n LYS 224 N -4.67 0.10 -0.01 2.37 5.02 0.13 -1.52 118.16 119.58 3m1r n LYS 224 Ca -0.00 0.45 -0.14 0.00 -2.02 0.00 0.00 58.31 56.60 3m1r n LYS 224 Cb 0.13 -1.74 -0.14 0.00 -0.02 0.00 0.00 35.03 33.26 3m1r n LYS 224 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3m1r n GLU 225 N -1.94 0.69 -0.06 1.97 2.13 -0.92 -4.54 120.64 117.97 3m1r n GLU 225 Ca 0.01 0.28 -0.07 0.00 0.66 0.00 0.00 57.16 58.04 3m1r n GLU 225 Cb 0.13 -1.75 -0.08 0.00 0.27 0.00 0.00 31.44 30.00 3m1r n GLU 225 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 3m1r n ILE 226 N -3.23 0.82 0.19 6.31 0.13 -1.05 -4.54 119.36 117.99 3m1r n ILE 226 Ca -0.24 -0.44 -0.15 0.00 -1.10 0.00 0.00 62.75 60.82 3m1r n ILE 226 Cb 1.05 -0.80 -0.07 0.00 -0.84 0.00 0.00 39.64 38.98 3m1r n ILE 226 CO 0.00 0.00 0.00 0.25 2.80 0.00 0.00 176.55 179.60 3m1r h LEU 227 N 0.00 -0.98 -0.77 9.51 5.85 -1.54 -2.04 115.31 125.33 3m1r h LEU 227 Ca -0.32 0.09 0.17 0.00 0.84 0.00 0.00 57.88 58.66 3m1r h LEU 227 Cb 1.65 0.35 -0.14 0.00 0.37 0.00 0.00 40.66 42.89 3m1r h LEU 227 CO -0.01 -0.48 -0.05 -0.65 -0.34 0.00 0.00 178.44 176.92 3m1r h PRO 228 N -0.69 0.06 0.00 5.25 0.11 -1.80 0.86 132.00 135.80 3m1r h PRO 228 Ca -0.01 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3m1r h PRO 228 Cb 0.65 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.74 3m1r h PRO 228 CO -0.11 0.04 0.00 0.28 -0.21 0.00 0.00 178.00 178.00 3m1r n VAL 229 N -5.40 0.00 -0.34 3.15 0.31 -0.94 -2.28 118.33 112.83 3m1r n VAL 229 Ca 0.13 1.34 0.21 0.00 -0.01 0.00 0.00 64.34 66.01 3m1r n VAL 229 Cb 0.47 -2.15 0.47 0.00 -0.91 0.00 0.00 33.84 31.71 3m1r n VAL 229 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3m1r h VAL 230 N 0.00 0.51 -0.62 2.52 2.07 -0.85 -1.41 116.25 118.47 3m1r h VAL 230 Ca 0.00 -0.15 0.07 0.00 0.82 0.00 0.00 66.70 67.44 3m1r h VAL 230 Cb 0.00 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 29.75 3m1r h VAL 230 CO 0.00 0.08 0.41 -0.61 0.02 0.00 0.00 177.57 177.47 3m1r h GLN 231 N 0.45 0.54 -0.01 1.57 4.15 0.11 -2.14 115.11 119.78 3m1r h GLN 231 Ca 0.63 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 60.01 3m1r h GLN 231 Cb 1.45 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 29.02 3m1r h GLN 231 CO -0.38 0.36 -0.28 -0.25 -1.93 0.00 0.00 178.83 176.35 3m1r n ASP 232 N -4.48 0.79 -0.98 -0.69 10.43 -0.53 -3.42 116.55 117.67 3m1r n ASP 232 Ca 0.09 -0.66 0.07 0.00 2.57 0.00 0.00 54.79 56.86 3m1r n ASP 232 Cb 0.28 0.11 0.26 0.00 1.84 0.00 0.00 41.12 43.61 3m1r n ASP 232 CO 0.00 0.00 0.00 2.29 -1.07 0.00 0.00 177.20 178.42 3m1r n LYS 233 N -0.91 2.88 -4.04 -1.24 2.85 -0.81 -5.01 118.16 111.89 3m1r n LYS 233 Ca 0.11 -2.90 -0.08 0.00 -1.05 0.00 0.00 58.31 54.40 3m1r n LYS 233 Cb 0.33 -1.87 -0.09 0.00 -0.65 0.00 0.00 35.03 32.75 3m1r n LYS 233 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 3m1r s THR 234 N -2.88 0.18 -0.08 0.58 -4.23 -1.19 -4.98 115.64 103.04 3m1r s THR 234 Ca 0.43 -1.66 -0.01 0.00 -1.18 0.00 0.00 61.69 59.27 3m1r s THR 234 Cb 0.35 -1.55 -0.26 0.00 1.34 0.00 0.00 72.50 72.38 3m1r s THR 234 CO 0.08 -0.83 0.52 0.44 -0.54 0.00 0.00 174.62 174.29 3m1r h ASP 235 N 3.00 0.31 -5.18 3.99 3.32 -1.43 -3.48 116.42 116.96 3m1r h ASP 235 Ca -0.34 -0.65 -0.12 0.00 0.02 0.00 0.00 57.03 55.95 3m1r h ASP 235 Cb 1.16 -0.10 -0.16 0.00 0.22 0.00 0.00 39.33 40.46 3m1r h ASP 235 CO 0.62 1.58 -0.58 -0.36 -1.72 0.00 0.00 179.24 178.78 3m1r s PHE 236 N -2.58 0.36 0.02 4.55 0.40 -0.61 -4.87 117.98 115.26 3m1r s PHE 236 Ca -0.16 -0.83 0.08 0.00 -0.60 0.00 0.00 56.93 55.43 3m1r s PHE 236 Cb 0.07 -0.26 -0.02 0.00 0.51 0.00 0.00 43.02 43.32 3m1r s PHE 236 CO 0.80 -0.40 -0.25 0.96 0.70 0.00 0.00 175.22 177.02 3m1r s ILE 237 N -3.53 2.02 -0.02 0.64 -4.36 -0.72 0.25 121.20 115.49 3m1r s ILE 237 Ca 0.03 -1.25 0.06 0.00 -0.26 0.00 0.00 60.65 59.23 3m1r s ILE 237 Cb 0.05 -1.71 -0.01 0.00 1.25 0.00 0.00 42.46 42.03 3m1r s ILE 237 CO -0.09 0.42 -0.19 0.12 0.24 0.00 0.00 174.94 175.45 3m1r s PHE 238 N -0.72 1.70 -0.29 1.37 5.36 0.11 -0.32 117.98 125.18 3m1r s PHE 238 Ca 0.10 -0.34 -0.07 0.00 -0.96 0.00 0.00 56.93 55.67 3m1r s PHE 238 Cb -0.10 -1.10 0.00 0.00 -0.34 0.00 0.00 43.02 41.49 3m1r s PHE 238 CO 0.01 -0.04 0.08 0.42 -1.46 0.00 0.00 175.22 174.23 3m1r s ILE 239 N -0.39 4.06 -0.36 3.12 1.01 -0.41 -1.41 121.20 126.82 3m1r s ILE 239 Ca 0.06 -0.58 -0.10 0.00 0.00 0.00 0.00 60.65 60.03 3m1r s ILE 239 Cb -0.08 -3.05 0.02 0.00 0.01 0.00 0.00 42.46 39.37 3m1r s ILE 239 CO -0.00 0.13 0.18 -0.55 0.00 0.00 0.00 174.94 174.70 3m1r s SER 240 N 1.53 5.63 -0.42 3.58 0.15 -0.19 -1.34 113.70 122.64 3m1r s SER 240 Ca 0.03 -0.95 -0.11 0.00 0.70 0.00 0.00 55.95 55.63 3m1r s SER 240 Cb -0.17 -1.99 0.07 0.00 -1.71 0.00 0.00 66.02 62.22 3m1r s SER 240 CO 0.03 -0.35 0.28 -0.69 1.20 0.00 0.00 173.24 173.71 3m1r s VAL 241 N 1.54 4.52 0.00 4.45 1.01 -0.27 -1.13 120.40 130.51 3m1r s VAL 241 Ca 0.02 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 60.79 3m1r s VAL 241 Cb -0.19 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.50 3m1r s VAL 241 CO 0.06 -0.46 0.00 -0.67 0.00 0.00 0.00 175.10 174.03 3m1r n ASP 242 N 5.00 0.00 0.00 3.32 -0.08 -0.55 -1.16 116.55 123.08 3m1r n ASP 242 Ca -0.11 -0.38 0.00 0.00 -1.51 0.00 0.00 54.79 52.79 3m1r n ASP 242 Cb 0.44 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.90 3m1r n ASP 242 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 3m1r n ASP 244 N -1.13 0.00 0.20 1.67 5.68 -1.26 -4.52 116.55 117.19 3m1r n ASP 244 Ca 0.00 0.00 0.06 0.00 -0.50 0.00 0.00 54.79 54.35 3m1r n ASP 244 Cb 0.00 -0.13 0.44 0.00 -1.14 0.00 0.00 41.12 40.28 3m1r n ASP 244 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 3m1r h VAL 245 N 0.00 0.99 -3.99 2.12 3.04 -1.89 -3.39 116.25 113.13 3m1r h VAL 245 Ca 0.00 -1.17 -0.48 0.00 -1.01 0.00 0.00 66.70 64.03 3m1r h VAL 245 Cb 0.00 1.68 0.03 0.00 -2.01 0.00 0.00 31.29 30.99 3m1r h VAL 245 CO 0.00 0.31 0.42 -0.76 -1.01 0.00 0.00 177.57 176.53 3m1r s LEU 246 N -7.65 4.05 0.37 3.16 1.43 -1.26 -1.78 118.68 117.00 3m1r s LEU 246 Ca -0.02 2.07 -0.26 0.00 -1.03 0.00 0.00 54.13 54.89 3m1r s LEU 246 Cb 0.13 -4.28 -0.12 0.00 0.03 0.00 0.00 46.19 41.95 3m1r s LEU 246 CO 0.68 -0.65 1.13 -0.67 0.23 0.00 0.00 176.35 177.08 3m1r n ASP 247 N -0.36 1.90 -0.13 2.29 2.03 0.81 -4.66 116.55 118.42 3m1r n ASP 247 Ca 0.06 1.12 0.20 0.00 0.52 0.00 0.00 54.79 56.70 3m1r n ASP 247 Cb 0.50 -1.40 0.60 0.00 -0.72 0.00 0.00 41.12 40.10 3m1r n ASP 247 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 3m1r h GLN 248 N 1.99 0.21 0.00 -0.67 3.07 -1.62 0.21 115.11 118.31 3m1r h GLN 248 Ca -0.45 -0.01 -0.03 0.00 0.09 0.00 0.00 58.65 58.26 3m1r h GLN 248 Cb 1.32 -0.05 -0.00 0.00 0.08 0.00 0.00 27.48 28.83 3m1r h GLN 248 CO 0.60 0.14 -0.12 0.66 0.09 0.00 0.00 178.83 180.19 3m1r h SER 249 N 0.21 0.00 0.00 0.06 4.64 -1.89 -2.74 113.55 113.83 3m1r h SER 249 Ca 0.36 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.54 3m1r h SER 249 Cb 1.12 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.18 3m1r h SER 249 CO -0.07 0.12 -2.15 1.41 -0.87 0.00 0.00 176.83 175.27 3m1r n HIS 250 N -3.37 0.00 -3.34 4.77 8.25 0.60 -4.66 115.22 117.48 3m1r n HIS 250 Ca -0.01 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 3m1r n HIS 250 Cb 0.31 -0.69 -0.08 0.00 1.12 0.00 0.00 29.99 30.65 3m1r n HIS 250 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m1r n ALA 251 N -2.45 2.93 0.78 -1.41 0.00 -0.34 -4.76 120.51 115.27 3m1r n ALA 251 Ca -0.15 -3.69 0.09 0.00 0.00 0.00 0.00 53.44 49.68 3m1r n ALA 251 Cb 0.79 -0.83 0.43 0.00 0.00 0.00 0.00 19.45 19.84 3m1r n ALA 251 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3m1r n PRO 252 N 1.67 0.19 -0.45 0.00 -0.05 -1.04 -3.22 135.00 132.10 3m1r n PRO 252 Ca 0.25 0.14 0.09 0.00 -0.05 0.00 0.00 63.50 63.93 3m1r n PRO 252 Cb 0.48 -1.50 0.30 0.00 -0.05 0.00 0.00 33.50 32.73 3m1r n PRO 252 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3m1r n GLY 253 N 0.25 2.81 3.87 0.55 0.00 -1.26 -4.57 105.19 106.84 3m1r n GLY 253 Ca 0.07 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 3m1r n GLY 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m1r h PRO 255 N 3.15 0.21 -4.00 0.00 0.11 -1.93 -3.31 132.00 126.23 3m1r h PRO 255 Ca -0.48 -0.01 -0.78 0.00 0.11 0.00 0.00 66.00 64.84 3m1r h PRO 255 Cb 1.18 -0.05 -0.24 0.00 0.11 0.00 0.00 31.00 32.00 3m1r h PRO 255 CO 0.68 0.14 0.72 0.00 -0.21 0.00 0.00 178.00 179.33 3m1r s ALA 256 N -6.16 4.42 0.12 -0.75 0.00 -1.26 -5.02 121.76 113.10 3m1r s ALA 256 Ca -0.13 -3.62 -0.10 0.00 0.00 0.00 0.00 51.96 48.10 3m1r s ALA 256 Cb 0.12 -3.75 -0.06 0.00 0.00 0.00 0.00 23.12 19.43 3m1r s ALA 256 CO 0.71 -2.41 0.44 0.96 0.00 0.00 0.00 175.76 175.46 3m1r s ILE 257 N -0.15 5.04 0.20 0.00 -4.36 -1.25 -4.90 121.20 115.78 3m1r s ILE 257 Ca 0.34 0.49 -0.23 0.00 -0.26 0.00 0.00 60.65 60.98 3m1r s ILE 257 Cb -0.08 -3.66 0.05 0.00 1.25 0.00 0.00 42.46 40.02 3m1r s ILE 257 CO -0.06 0.21 0.88 -0.83 0.24 0.00 0.00 174.94 175.38 3m1r s GLY 258 N -1.89 -0.17 0.55 6.27 0.00 -1.26 -4.99 107.32 105.84 3m1r s GLY 258 Ca 0.36 -0.05 -0.17 0.00 0.00 0.00 0.00 44.72 44.87 3m1r s GLY 258 CO 0.19 0.00 1.04 2.56 0.00 0.00 0.00 173.10 176.89 3m1r s PRO 259 N -3.47 3.56 0.00 2.90 0.04 -1.26 -1.77 135.00 135.00 3m1r s PRO 259 Ca 0.12 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.34 3m1r s PRO 259 Cb -0.03 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.44 3m1r s PRO 259 CO 0.04 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 176.88 3m1r n GLY 260 N -0.96 1.29 1.42 0.56 0.00 -1.26 -4.92 105.19 101.32 3m1r n GLY 260 Ca 0.08 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 3m1r n GLY 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m1r n GLY 261 N -0.56 2.62 3.74 -0.02 0.00 -1.26 -4.91 105.19 104.80 3m1r n GLY 261 Ca 0.00 -2.20 -0.32 0.00 0.00 0.00 0.00 46.02 43.50 3m1r n GLY 261 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m1r s LEU 262 N 0.00 3.08 0.17 0.99 1.43 -0.73 -4.19 118.68 119.43 3m1r s LEU 262 Ca 0.15 1.97 0.05 0.00 -1.03 0.00 0.00 54.13 55.27 3m1r s LEU 262 Cb -0.01 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.63 3m1r s LEU 262 CO 0.10 -2.21 0.19 -0.31 0.23 0.00 0.00 176.35 174.35 3m1r s TYR 263 N -2.68 3.25 0.12 0.29 1.51 -1.26 -0.13 117.35 118.44 3m1r s TYR 263 Ca 0.64 0.01 -0.18 0.00 -1.01 0.00 0.00 57.07 56.53 3m1r s TYR 263 Cb -0.20 -1.54 -0.05 0.00 -0.11 0.00 0.00 41.96 40.06 3m1r s TYR 263 CO 0.53 0.51 1.70 1.15 -1.11 0.00 0.00 175.55 178.33 3m1r h THR 264 N 1.83 1.14 -0.08 -0.71 2.02 -1.97 -2.28 112.91 112.86 3m1r h THR 264 Ca -0.48 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.31 3m1r h THR 264 Cb 1.20 0.89 -0.00 0.00 -1.74 0.00 0.00 68.15 68.50 3m1r h THR 264 CO 0.64 0.14 0.03 -2.24 0.37 0.00 0.00 175.52 174.46 3m1r h ASP 265 N 0.32 0.09 -0.00 4.18 3.04 -1.98 0.14 116.42 122.20 3m1r h ASP 265 Ca 0.10 -0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.88 3m1r h ASP 265 Cb 0.10 -0.02 -0.00 0.00 -1.04 0.00 0.00 39.33 38.36 3m1r h ASP 265 CO -0.01 0.09 0.00 -0.08 -2.04 0.00 0.00 179.24 177.19 3m1r h GLU 266 N 0.11 0.01 -0.69 4.15 4.81 -1.88 -1.91 114.58 119.17 3m1r h GLU 266 Ca 0.03 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 3m1r h GLU 266 Cb 0.02 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 3m1r h GLU 266 CO -0.00 0.20 0.20 1.25 -0.73 0.00 0.00 179.01 179.93 3m1r h LEU 267 N -0.19 1.00 -0.68 1.64 5.85 -0.63 -2.14 115.31 120.17 3m1r h LEU 267 Ca 0.00 -0.19 -0.10 0.00 0.84 0.00 0.00 57.88 58.44 3m1r h LEU 267 Cb 0.20 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 3m1r h LEU 267 CO -0.00 0.94 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.93 3m1r h LEU 268 N 1.03 0.97 -0.51 2.25 3.38 -0.71 -1.53 115.31 120.19 3m1r h LEU 268 Ca 0.22 -0.28 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 3m1r h LEU 268 Cb 0.30 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3m1r h LEU 268 CO -0.01 1.05 -0.12 -0.08 0.09 0.00 0.00 178.44 179.37 3m1r h GLU 269 N 0.90 0.98 -0.42 1.13 4.57 -1.15 -2.53 114.58 118.05 3m1r h GLU 269 Ca 0.15 -0.37 -0.07 0.00 -1.18 0.00 0.00 59.36 57.89 3m1r h GLU 269 Cb 0.58 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.09 3m1r h GLU 269 CO 0.03 1.05 -0.01 0.00 -1.18 0.00 0.00 179.01 178.90 3m1r h ALA 270 N 0.90 1.19 -0.25 2.92 0.00 -0.84 -1.86 119.26 121.32 3m1r h ALA 270 Ca 0.13 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 3m1r h ALA 270 Cb 0.68 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3m1r h ALA 270 CO 0.05 0.53 -0.33 0.28 0.00 0.00 0.00 179.25 179.78 3m1r h VAL 271 N 0.65 1.31 -0.95 0.00 2.07 -1.19 -1.99 116.25 116.15 3m1r h VAL 271 Ca 0.13 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 66.13 3m1r h VAL 271 Cb 0.42 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.83 3m1r h VAL 271 CO 0.02 0.48 0.60 0.50 0.02 0.00 0.00 177.57 179.18 3m1r h LYS 272 N 0.39 1.28 -0.48 1.57 3.64 -1.30 0.48 116.57 122.14 3m1r h LYS 272 Ca 0.03 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 3m1r h LYS 272 Cb 0.91 -0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 3m1r h LYS 272 CO 0.08 0.88 0.07 -0.92 -2.27 0.00 0.00 179.45 177.29 3m1r h TYR 273 N 1.30 0.85 -0.22 1.91 3.20 -1.17 -2.59 116.97 120.25 3m1r h TYR 273 Ca 0.34 -0.12 -0.13 0.00 3.14 0.00 0.00 58.73 61.96 3m1r h TYR 273 Cb -0.09 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 37.95 3m1r h TYR 273 CO 0.00 0.78 -0.39 0.82 -1.64 0.00 0.00 178.16 177.74 3m1r h ILE 274 N 0.66 1.32 0.00 1.81 2.04 -1.12 -2.95 117.51 119.27 3m1r h ILE 274 Ca 0.14 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 64.40 3m1r h ILE 274 Cb 0.40 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 3m1r h ILE 274 CO 0.01 0.50 0.00 0.00 0.00 0.00 0.00 178.15 178.66 3m1r n ALA 275 N -2.52 1.46 0.13 1.87 0.00 0.14 -0.81 120.51 120.78 3m1r n ALA 275 Ca -0.05 -0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.44 3m1r n ALA 275 Cb 0.53 -1.11 0.03 0.00 0.00 0.00 0.00 19.45 18.90 3m1r n ALA 275 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3m1r h GLN 276 N 0.00 0.00 -7.26 0.00 4.20 -1.27 -3.43 115.11 107.35 3m1r h GLN 276 Ca 0.00 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.20 3m1r h GLN 276 Cb 0.07 0.00 0.11 0.00 0.30 0.00 0.00 27.48 27.96 3m1r h GLN 276 CO 0.00 0.10 0.35 -0.65 -0.67 0.00 0.00 178.83 177.96 3m1r s GLN 277 N -3.21 2.61 0.46 1.46 -1.52 0.01 -4.50 119.66 114.98 3m1r s GLN 277 Ca 0.01 1.26 -0.23 0.00 -1.95 0.00 0.00 55.36 54.46 3m1r s GLN 277 Cb 0.08 -1.94 -0.07 0.00 -0.22 0.00 0.00 33.01 30.86 3m1r s GLN 277 CO 0.76 -1.38 1.18 -1.25 -0.25 0.00 0.00 175.29 174.35 3m1r s PRO 278 N -4.49 3.72 -1.07 2.91 0.04 -1.26 -3.87 135.00 130.98 3m1r s PRO 278 Ca 0.64 1.81 -0.01 0.00 0.04 0.00 0.00 61.00 63.47 3m1r s PRO 278 Cb -0.18 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 31.96 3m1r s PRO 278 CO 0.48 -0.59 0.19 0.09 0.04 0.00 0.00 177.00 177.20 3m1r n ASN 279 N -0.51 -4.31 -4.61 6.66 4.13 -1.26 -4.77 115.26 110.60 3m1r n ASN 279 Ca 0.07 -0.09 -0.43 0.00 1.68 0.00 0.00 54.58 55.81 3m1r n ASN 279 Cb 0.48 -3.34 -0.02 0.00 -1.54 0.00 0.00 39.78 35.35 3m1r n ASN 279 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3m1r s VAL 280 N -2.80 3.78 -0.64 2.41 1.01 -1.25 -1.75 120.40 121.15 3m1r s VAL 280 Ca 0.09 0.81 0.25 0.00 0.00 0.00 0.00 61.98 63.14 3m1r s VAL 280 Cb -0.04 -3.97 0.24 0.00 0.00 0.00 0.00 36.38 32.60 3m1r s VAL 280 CO 0.11 -0.57 1.62 0.00 0.00 0.00 0.00 175.10 176.27 3m1r h ALA 281 N 11.17 0.89 0.00 5.51 0.00 -1.04 -3.48 119.26 132.31 3m1r h ALA 281 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3m1r h ALA 281 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3m1r h ALA 281 CO 1.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.71 3m1r n GLY 282 N 1.27 0.14 3.29 0.00 0.00 -1.25 -3.67 105.19 104.97 3m1r n GLY 282 Ca 0.05 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 3m1r n GLY 282 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3m1r s ILE 283 N -2.00 0.02 0.05 -0.61 2.07 -0.58 -1.28 121.20 118.87 3m1r s ILE 283 Ca 0.00 -0.17 0.04 0.00 -1.41 0.00 0.00 60.65 59.10 3m1r s ILE 283 Cb 0.00 -0.61 -0.03 0.00 0.13 0.00 0.00 42.46 41.96 3m1r s ILE 283 CO 0.00 -0.10 -0.11 -1.83 -1.91 0.00 0.00 174.94 170.99 3m1r s GLU 284 N -0.44 0.69 -0.14 3.50 -1.05 -0.45 -0.44 118.70 120.38 3m1r s GLU 284 Ca -0.06 -0.82 0.01 0.00 -0.15 0.00 0.00 54.97 53.96 3m1r s GLU 284 Cb -0.03 -0.60 0.02 0.00 -0.44 0.00 0.00 34.13 33.07 3m1r s GLU 284 CO 0.02 0.13 -0.18 0.42 0.95 0.00 0.00 175.26 176.61 3m1r s ILE 285 N -1.23 1.77 0.21 1.83 1.01 -0.61 -1.12 121.20 123.07 3m1r s ILE 285 Ca -0.05 -0.79 0.08 0.00 0.00 0.00 0.00 60.65 59.89 3m1r s ILE 285 Cb -0.09 -1.61 -0.05 0.00 0.01 0.00 0.00 42.46 40.72 3m1r s ILE 285 CO 0.01 0.49 -0.14 0.68 0.00 0.00 0.00 174.94 175.99 3m1r s VAL 286 N 1.14 1.73 -0.48 2.92 -7.23 -0.31 -1.30 120.40 116.87 3m1r s VAL 286 Ca -0.01 -2.21 0.00 0.00 -1.81 0.00 0.00 61.98 57.95 3m1r s VAL 286 Cb -0.14 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.71 3m1r s VAL 286 CO -0.06 -0.57 0.00 -0.62 -0.31 0.00 0.00 175.10 173.54 3m1r n GLU 287 N -0.40 -0.34 -2.92 4.82 -0.58 -0.96 -4.51 120.64 115.75 3m1r n GLU 287 Ca -0.08 0.58 -0.41 0.00 -0.42 0.00 0.00 57.16 56.84 3m1r n GLU 287 Cb 0.61 -4.29 -0.04 0.00 -0.57 0.00 0.00 31.44 27.14 3m1r n GLU 287 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3m1r s VAL 288 N -2.19 4.98 -0.37 2.62 1.01 -1.26 -4.19 120.40 121.00 3m1r s VAL 288 Ca 0.00 1.67 0.01 0.00 0.00 0.00 0.00 61.98 63.66 3m1r s VAL 288 Cb 0.00 -4.14 0.11 0.00 0.00 0.00 0.00 36.38 32.35 3m1r s VAL 288 CO 0.00 0.21 0.14 -0.62 0.00 0.00 0.00 175.10 174.83 3m1r s ASP 289 N 0.89 4.04 0.65 3.32 -1.08 -0.49 -4.24 116.67 119.75 3m1r s ASP 289 Ca 0.43 -2.11 0.39 0.00 -0.52 0.00 0.00 52.55 50.74 3m1r s ASP 289 Cb -0.19 -1.08 2.19 0.00 -1.46 0.00 0.00 42.92 42.38 3m1r s ASP 289 CO 0.21 -0.35 2.30 -0.65 0.52 0.00 0.00 175.17 177.20 3m1r h PRO 290 N 7.49 0.00 0.00 4.34 0.11 -1.80 0.18 132.00 142.32 3m1r h PRO 290 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3m1r h PRO 290 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3m1r h PRO 290 CO 0.49 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.53 3m1r n THR 291 N -3.29 0.67 0.49 -1.15 -2.24 -1.26 -2.87 114.28 104.62 3m1r n THR 291 Ca -0.03 -0.05 0.09 0.00 -2.27 0.00 0.00 64.05 61.80 3m1r n THR 291 Cb 0.11 -0.83 0.12 0.00 -2.10 0.00 0.00 70.33 67.64 3m1r n THR 291 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3m1r n LEU 292 N -2.19 2.79 -4.92 3.22 4.77 0.60 -5.04 117.00 116.23 3m1r n LEU 292 Ca 0.04 -1.26 -0.26 0.00 -0.03 0.00 0.00 56.01 54.50 3m1r n LEU 292 Cb 0.34 -0.10 0.03 0.00 -2.33 0.00 0.00 43.42 41.35 3m1r n LEU 292 CO 0.25 0.56 0.50 -0.62 -1.33 0.00 0.00 177.39 176.75 3m1r s ASP 293 N -1.39 5.67 -0.23 -1.43 -1.08 -1.14 -4.31 116.67 112.77 3m1r s ASP 293 Ca 0.26 0.69 -0.10 0.00 -0.52 0.00 0.00 52.55 52.87 3m1r s ASP 293 Cb 0.16 -1.73 -0.05 0.00 -1.46 0.00 0.00 42.92 39.84 3m1r s ASP 293 CO 0.24 -0.98 0.16 0.12 0.52 0.00 0.00 175.17 175.22 3m1r s PHE 294 N -2.92 3.34 0.00 -5.34 2.19 -1.26 -4.92 117.98 109.06 3m1r s PHE 294 Ca 0.53 0.26 0.00 0.00 0.33 0.00 0.00 56.93 58.04 3m1r s PHE 294 Cb -0.10 -2.25 0.00 0.00 -1.31 0.00 0.00 43.02 39.35 3m1r s PHE 294 CO 0.44 0.11 0.00 0.54 1.83 0.00 0.00 175.22 178.15 3m1r n ARG 295 N 4.12 0.00 -3.97 10.12 1.74 -1.26 -4.59 116.66 122.82 3m1r n ARG 295 Ca -0.15 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.63 3m1r n ARG 295 Cb 0.52 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.80 3m1r n ARG 295 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 3m1r s ASP 296 N -4.00 3.58 0.00 0.55 3.84 -1.26 -5.00 116.67 114.39 3m1r s ASP 296 Ca 0.00 -1.00 0.00 0.00 -0.00 0.00 0.00 52.55 51.55 3m1r s ASP 296 Cb 0.00 -1.22 0.00 0.00 -1.38 0.00 0.00 42.92 40.32 3m1r s ASP 296 CO 0.00 -0.18 0.00 0.41 -0.00 0.00 0.00 175.17 175.40 3m1r n THR 298 N 4.67 0.00 -0.05 2.11 -1.04 -1.26 -0.71 114.28 118.00 3m1r n THR 298 Ca -0.14 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.74 3m1r n THR 298 Cb 0.45 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.95 3m1r n THR 298 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3m1r h SER 299 N 0.00 0.88 -0.47 8.00 0.02 -1.94 -2.27 113.55 117.77 3m1r h SER 299 Ca 0.00 -0.49 -0.02 0.00 -0.84 0.00 0.00 61.79 60.45 3m1r h SER 299 Cb 0.00 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 3m1r h SER 299 CO 0.00 1.26 0.23 0.03 -1.14 0.00 0.00 176.83 177.22 3m1r h ARG 300 N 0.59 0.71 -0.22 3.45 3.08 -1.24 0.81 114.38 121.55 3m1r h ARG 300 Ca 0.00 -0.09 -0.12 0.00 0.07 0.00 0.00 59.98 59.85 3m1r h ARG 300 Cb 1.17 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 3m1r h ARG 300 CO 0.12 0.56 -0.38 0.00 -1.07 0.00 0.00 179.97 179.20 3m1r h ALA 301 N 1.55 0.94 -0.17 0.04 0.00 -1.78 -1.82 119.26 118.02 3m1r h ALA 301 Ca 0.18 -0.42 -0.21 0.00 0.00 0.00 0.00 54.91 54.45 3m1r h ALA 301 Cb 0.09 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.78 3m1r h ALA 301 CO -0.02 0.62 -0.72 0.00 0.00 0.00 0.00 179.25 179.13 3m1r h ALA 302 N 1.18 0.32 -1.01 0.00 0.00 -0.90 -1.67 119.26 117.18 3m1r h ALA 302 Ca 0.04 -0.58 0.14 0.00 0.00 0.00 0.00 54.91 54.51 3m1r h ALA 302 Cb 0.85 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.53 3m1r h ALA 302 CO 0.07 0.65 0.63 0.00 0.00 0.00 0.00 179.25 180.60 3m1r h ALA 303 N 0.56 1.57 -0.03 0.00 0.00 -0.65 -1.85 119.26 118.86 3m1r h ALA 303 Ca -0.04 0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 3m1r h ALA 303 Cb 1.35 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3m1r h ALA 303 CO 0.15 0.14 -0.84 0.45 0.00 0.00 0.00 179.25 179.15 3m1r h HIS 304 N 0.92 0.49 -0.85 0.00 3.86 -1.12 -0.71 115.15 117.75 3m1r h HIS 304 Ca 0.53 -0.25 0.14 0.00 -1.16 0.00 0.00 60.37 59.63 3m1r h HIS 304 Cb 0.63 -0.06 -0.09 0.00 1.06 0.00 0.00 27.41 28.94 3m1r h HIS 304 CO -0.00 1.04 0.45 0.28 0.86 0.00 0.00 177.93 180.55 3m1r h VAL 305 N 0.21 0.75 -0.20 2.45 2.07 -0.72 -0.78 116.25 120.03 3m1r h VAL 305 Ca -0.05 -0.22 -0.10 0.00 0.82 0.00 0.00 66.70 67.14 3m1r h VAL 305 Cb 1.44 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3m1r h VAL 305 CO 0.14 0.12 -0.28 -0.07 0.02 0.00 0.00 177.57 177.50 3m1r h LEU 306 N 0.65 0.59 -1.06 2.57 3.38 -0.76 -1.57 115.31 119.10 3m1r h LEU 306 Ca 0.46 -0.52 0.05 0.00 0.09 0.00 0.00 57.88 57.97 3m1r h LEU 306 Cb 0.63 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 3m1r h LEU 306 CO -0.35 0.99 0.63 -0.07 0.09 0.00 0.00 178.44 179.73 3m1r h LEU 307 N 0.20 1.02 -0.40 1.67 3.38 -0.73 0.16 115.31 120.61 3m1r h LEU 307 Ca 0.02 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 3m1r h LEU 307 Cb 0.86 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3m1r h LEU 307 CO 0.07 0.67 -0.78 0.45 0.09 0.00 0.00 178.44 178.93 3m1r h HIS 308 N 1.17 0.33 -0.55 1.13 3.86 -1.09 -0.64 115.15 119.36 3m1r h HIS 308 Ca 0.40 -0.16 -0.02 0.00 -1.16 0.00 0.00 60.37 59.43 3m1r h HIS 308 Cb 0.11 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.51 3m1r h HIS 308 CO -0.00 0.93 0.27 0.00 0.86 0.00 0.00 177.93 179.98 3m1r h ALA 309 N 1.03 0.71 -0.54 2.45 0.00 -0.37 -1.03 119.26 121.50 3m1r h ALA 309 Ca -0.03 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3m1r h ALA 309 Cb 1.37 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3m1r h ALA 309 CO 0.12 0.27 0.09 -0.07 0.00 0.00 0.00 179.25 179.66 3m1r h LEU 310 N 0.74 0.86 -0.58 0.00 3.38 -0.85 -2.68 115.31 116.18 3m1r h LEU 310 Ca 0.19 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 57.95 3m1r h LEU 310 Cb 0.12 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 3m1r h LEU 310 CO -0.02 0.90 0.31 0.50 0.09 0.00 0.00 178.44 180.22 3m1r h LYS 311 N 0.79 0.58 -1.37 1.13 3.64 -0.93 -0.74 116.57 119.67 3m1r h LYS 311 Ca 0.17 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3m1r h LYS 311 Cb 0.40 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3m1r h LYS 311 CO 0.01 0.38 0.00 0.41 -2.27 0.00 0.00 179.45 177.98 3m1r n GLY 312 N -1.27 0.31 1.42 5.01 0.00 -0.41 -2.00 105.19 108.25 3m1r n GLY 312 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3m1r n GLY 312 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3m1r n LYS 314 N 0.78 0.00 0.13 1.61 3.00 -0.28 -1.90 118.16 121.49 3m1r n LYS 314 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.32 3m1r n LYS 314 Cb 0.07 0.00 0.05 0.00 0.00 0.00 0.00 35.03 35.15 3m1r n LYS 314 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 3m1r h LEU 315 N 0.00 0.00 -0.61 3.14 7.12 -1.66 -3.38 115.31 119.92 3m1r h LEU 315 Ca 0.00 0.00 0.11 0.00 0.13 0.00 0.00 57.88 58.12 3m1r h LEU 315 Cb 0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 40.05 3m1r h LEU 315 CO 0.00 0.60 0.16 0.77 -0.13 0.00 0.00 178.44 179.84 3m1r h SER 316 N 0.00 0.07 -0.67 1.25 4.64 -1.61 -2.37 113.55 114.87 3m1r h SER 316 Ca -0.01 0.10 0.11 0.00 -0.47 0.00 0.00 61.79 61.52 3m1r h SER 316 Cb 1.38 0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 63.55 3m1r h SER 316 CO 0.08 0.04 0.45 -0.65 -0.87 0.00 0.00 176.83 175.88 3m1r h PRO 317 N 0.30 0.46 0.00 4.77 0.11 -1.91 -3.50 132.00 132.24 3m1r h PRO 317 Ca 0.32 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.40 3m1r h PRO 317 Cb 0.45 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.46 3m1r h PRO 317 CO -0.38 0.30 0.00 1.19 -0.21 0.00 0.00 178.00 178.91