#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m1r n ALA 0 N 0.00 5.31 0.00 5.41 0.00 -1.26 -4.67 120.51 125.30 3m1r n ALA 0 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 53.44 52.01 3m1r n ALA 0 Cb 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 17.83 3m1r n ALA 0 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3m1r n ASP 2 N 1.32 0.00 0.14 0.00 8.00 -1.26 -4.71 116.55 120.04 3m1r n ASP 2 Ca 0.27 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.88 3m1r n ASP 2 Cb 0.63 0.00 0.53 0.00 -0.02 0.00 0.00 41.12 42.26 3m1r n ASP 2 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3m1r n LYS 3 N 0.00 0.16 -3.49 -1.24 2.85 -1.26 -3.52 118.16 111.66 3m1r n LYS 3 Ca 0.00 0.54 -0.35 0.00 -1.05 0.00 0.00 58.31 57.45 3m1r n LYS 3 Cb 0.00 -1.90 -0.06 0.00 -0.65 0.00 0.00 35.03 32.42 3m1r n LYS 3 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3m1r n TYR 4 N -2.22 3.72 0.29 5.58 4.02 -1.26 -4.94 117.16 122.35 3m1r n TYR 4 Ca 0.00 -3.87 0.16 0.00 -0.01 0.00 0.00 57.90 54.18 3m1r n TYR 4 Cb 0.11 -1.02 0.87 0.00 -0.02 0.00 0.00 39.34 39.29 3m1r n TYR 4 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3m1r h PRO 5 N 5.46 0.00 -0.72 -0.72 0.11 -2.01 -1.44 132.00 132.68 3m1r h PRO 5 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3m1r h PRO 5 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 3m1r h PRO 5 CO 0.94 0.05 0.00 1.19 -0.21 0.00 0.00 178.00 179.97 3m1r n PHE 6 N -3.55 0.95 -3.74 0.65 0.99 -1.26 -4.89 117.46 106.61 3m1r n PHE 6 Ca -0.02 -0.48 -0.37 0.00 -0.00 0.00 0.00 57.45 56.58 3m1r n PHE 6 Cb 0.17 -0.00 -0.11 0.00 -1.00 0.00 0.00 39.48 38.53 3m1r n PHE 6 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 3m1r s LEU 7 N -1.04 3.76 0.43 4.37 2.96 -0.54 -5.08 118.68 123.53 3m1r s LEU 7 Ca 0.49 -0.06 0.06 0.00 -0.22 0.00 0.00 54.13 54.39 3m1r s LEU 7 Cb 0.26 -2.01 -0.06 0.00 0.50 0.00 0.00 46.19 44.87 3m1r s LEU 7 CO 0.34 0.00 0.02 -0.13 -1.32 0.00 0.00 176.35 175.26 3m1r s ARG 8 N 1.40 2.03 0.37 1.98 0.52 -1.26 -4.99 118.95 119.00 3m1r s ARG 8 Ca 0.06 -2.16 -0.27 0.00 -0.52 0.00 0.00 55.73 52.85 3m1r s ARG 8 Cb -0.15 -1.64 -0.09 0.00 0.52 0.00 0.00 34.95 33.59 3m1r s ARG 8 CO 0.06 -0.13 1.20 -1.21 0.02 0.00 0.00 175.30 175.23 3m1r s GLU 9 N -3.76 4.21 -0.13 3.54 2.02 -1.26 -4.89 118.70 118.42 3m1r s GLU 9 Ca 0.29 1.93 -0.40 0.00 0.02 0.00 0.00 54.97 56.81 3m1r s GLU 9 Cb 0.08 -2.85 -0.18 0.00 0.10 0.00 0.00 34.13 31.28 3m1r s GLU 9 CO 0.15 -0.21 1.42 0.00 0.02 0.00 0.00 175.26 176.63 3m1r n ALA 10 N 0.41 -1.54 -1.03 5.21 0.00 -1.26 -1.23 120.51 121.07 3m1r n ALA 10 Ca 0.02 0.50 -0.01 0.00 0.00 0.00 0.00 53.44 53.96 3m1r n ALA 10 Cb 0.45 -2.00 -0.00 0.00 0.00 0.00 0.00 19.45 17.89 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 2.93 0.47 3.75 0.00 0.00 -1.26 -5.01 105.19 106.06 3m1r n GLY 11 Ca 0.23 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.21 7.22 0.00 1.61 1.04 -0.37 -5.05 113.70 115.94 3m1r s SER 12 Ca 0.00 1.45 0.00 0.00 0.48 0.00 0.00 55.95 57.88 3m1r s SER 12 Cb 0.00 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.65 3m1r s SER 12 CO 0.00 0.03 0.00 -1.54 0.98 0.00 0.00 173.24 172.71 3m1r n SER 13 N 2.74 1.11 -4.42 7.02 3.41 -1.26 -4.93 113.62 117.29 3m1r n SER 13 Ca -0.03 -0.66 -0.54 0.00 -0.26 0.00 0.00 58.87 57.38 3m1r n SER 13 Cb 0.50 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.29 1.53 -3.40 7.33 7.35 -1.26 -4.93 117.46 123.79 3m1r n PHE 14 Ca 0.00 0.45 -0.39 0.00 -0.76 0.00 0.00 57.45 56.75 3m1r n PHE 14 Cb 0.00 -2.45 -0.08 0.00 0.35 0.00 0.00 39.48 37.29 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 5.83 4.08 -0.21 -4.13 2.47 -1.26 -5.06 119.74 121.47 3m1r s LYS 15 Ca 1.11 0.09 -0.04 0.00 -1.56 0.00 0.00 55.97 55.57 3m1r s LYS 15 Cb -1.06 -3.60 -0.02 0.00 -1.46 0.00 0.00 37.83 31.69 3m1r s LYS 15 CO 0.56 -0.16 -0.02 0.34 0.16 0.00 0.00 175.35 176.23 3m1r s ASP 16 N 1.36 4.60 0.41 1.43 -1.08 -1.26 -5.00 116.67 117.12 3m1r s ASP 16 Ca 0.16 -0.28 0.17 0.00 -0.52 0.00 0.00 52.55 52.08 3m1r s ASP 16 Cb -0.15 -1.79 0.89 0.00 -1.46 0.00 0.00 42.92 40.41 3m1r s ASP 16 CO 0.09 0.03 1.87 0.03 0.52 0.00 0.00 175.17 177.71 3m1r h ARG 17 N 7.71 0.00 -0.31 4.34 3.08 -2.05 -2.72 114.38 124.44 3m1r h ARG 17 Ca -0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.68 3m1r h ARG 17 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 3m1r h ARG 17 CO 0.60 0.31 0.00 -0.25 -1.07 0.00 0.00 179.97 179.56 3m1r n ASP 18 N -3.91 2.76 -4.49 7.04 10.43 -1.26 -4.89 116.55 122.22 3m1r n ASP 18 Ca -0.02 -1.89 -0.33 0.00 2.57 0.00 0.00 54.79 55.12 3m1r n ASP 18 Cb 0.38 -0.20 -0.13 0.00 1.84 0.00 0.00 41.12 43.01 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 -1.61 3.31 -0.28 2.53 1.01 -1.03 -5.10 120.40 119.23 3m1r s VAL 19 Ca 0.36 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.75 3m1r s VAL 19 Cb 0.20 -2.34 0.07 0.00 0.00 0.00 0.00 36.38 34.31 3m1r s VAL 19 CO 0.29 0.58 -0.06 -0.89 0.00 0.00 0.00 175.10 175.02 3m1r s THR 20 N -0.50 2.29 0.00 3.92 2.01 -1.26 -4.87 115.64 117.23 3m1r s THR 20 Ca 0.07 -1.77 0.00 0.00 0.31 0.00 0.00 61.69 60.30 3m1r s THR 20 Cb -0.12 -2.42 0.00 0.00 0.01 0.00 0.00 72.50 69.97 3m1r s THR 20 CO 0.02 -0.16 0.00 0.29 -0.69 0.00 0.00 174.62 174.07 3m1r n LYS 21 N 4.42 0.00 0.00 4.92 5.02 -1.26 -1.75 118.16 129.50 3m1r n LYS 21 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 3m1r n LYS 21 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.43 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 0.13 4.39 3.41 -0.48 -3.64 113.62 117.43 3m1r n SER 23 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 3m1r n SER 23 Cb 0.00 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.40 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 -3.30 116.42 118.54 3m1r h ASP 24 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 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 0.00 -0.30 0.18 -1.72 0.00 0.00 179.24 177.40 3m1r n LEU 25 N -2.32 0.15 -4.62 1.55 4.77 -1.24 -4.94 117.00 110.34 3m1r n LEU 25 Ca 0.04 -0.44 -0.41 0.00 -0.03 0.00 0.00 56.01 55.17 3m1r n LEU 25 Cb 0.33 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.37 3m1r n LEU 25 CO 0.25 0.04 0.45 -0.63 -1.33 0.00 0.00 177.39 176.17 3m1r s ILE 26 N -1.46 4.93 -0.06 -0.08 1.01 -1.25 -0.84 121.20 123.45 3m1r s ILE 26 Ca 0.01 1.14 0.02 0.00 0.00 0.00 0.00 60.65 61.81 3m1r s ILE 26 Cb 0.03 -4.00 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 3m1r s ILE 26 CO 0.15 -0.06 -0.09 0.00 0.00 0.00 0.00 174.94 174.93 3m1r s ALA 27 N 2.64 2.88 0.11 9.38 0.00 -0.95 -4.95 121.76 130.87 3m1r s ALA 27 Ca 0.28 -0.92 -0.31 0.00 0.00 0.00 0.00 51.96 51.01 3m1r s ALA 27 Cb -0.15 -1.15 -0.11 0.00 0.00 0.00 0.00 23.12 21.72 3m1r s ALA 27 CO 0.10 0.56 1.85 2.41 0.00 0.00 0.00 175.76 180.68 3m1r n THR 28 N 2.27 0.41 -2.51 0.00 -1.04 -1.26 -1.13 114.28 111.01 3m1r n THR 28 Ca -0.18 -0.07 -0.40 0.00 -2.04 0.00 0.00 64.05 61.36 3m1r n THR 28 Cb 0.53 -2.14 -0.05 0.00 -1.82 0.00 0.00 70.33 66.85 3m1r n THR 28 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 3m1r s TRP 29 N 2.91 3.63 -0.41 -1.42 -0.00 -0.93 -4.87 118.94 117.84 3m1r s TRP 29 Ca 0.83 1.73 0.11 0.00 -0.00 0.00 0.00 56.10 58.77 3m1r s TRP 29 Cb -0.48 -3.24 0.40 0.00 -0.00 0.00 0.00 33.47 30.14 3m1r s TRP 29 CO 0.38 -0.42 0.92 -3.47 -0.00 0.00 0.00 176.95 174.35 3m1r n ASP 30 N 1.20 2.51 0.00 5.86 4.64 -1.26 -4.96 116.55 124.54 3m1r n ASP 30 Ca -0.01 -3.19 0.00 0.00 -1.38 0.00 0.00 54.79 50.21 3m1r n ASP 30 Cb 0.45 -0.55 0.00 0.00 -1.04 0.00 0.00 41.12 39.98 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 -0.08 2.48 3.49 0.27 0.00 -1.26 -4.98 105.19 105.11 3m1r n GLY 31 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.95 -0.07 -1.68 1.61 3.00 -1.26 -4.87 117.38 112.16 3m1r n GLN 32 Ca 0.00 0.03 -0.41 0.00 -0.01 0.00 0.00 57.00 56.61 3m1r n GLN 32 Cb 0.00 -1.98 0.01 0.00 0.00 0.00 0.00 30.24 28.27 3m1r n GLN 32 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 3m1r n ASP 33 N -1.56 2.22 -4.32 1.08 2.03 -1.26 -4.97 116.55 109.78 3m1r n ASP 33 Ca 0.09 1.10 -0.37 0.00 0.52 0.00 0.00 54.79 56.13 3m1r n ASP 33 Cb 0.52 -1.46 -0.13 0.00 -0.72 0.00 0.00 41.12 39.33 3m1r n ASP 33 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3m1r s ILE 34 N -1.20 3.78 -0.30 5.18 1.01 -1.26 -5.08 121.20 123.33 3m1r s ILE 34 Ca 0.61 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 60.37 3m1r s ILE 34 Cb -0.53 -2.97 -0.02 0.00 0.01 0.00 0.00 42.46 38.95 3m1r s ILE 34 CO 0.58 0.07 0.18 -1.59 0.00 0.00 0.00 174.94 174.18 3m1r s LYS 35 N 1.46 3.57 4.14 2.79 -2.85 -1.26 -3.75 119.74 123.84 3m1r s LYS 35 Ca 0.02 -0.57 0.00 0.00 -1.00 0.00 0.00 55.97 54.42 3m1r s LYS 35 Cb -0.17 -3.62 0.00 0.00 -2.06 0.00 0.00 37.83 31.97 3m1r s LYS 35 CO 0.01 -0.34 0.00 0.41 0.10 0.00 0.00 175.35 175.54 3m1r n GLY 36 N 5.03 0.67 3.75 0.59 0.00 0.27 -4.90 105.19 110.60 3m1r n GLY 36 Ca -0.14 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 3m1r n GLY 36 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3m1r s PRO 37 N 0.00 4.38 -0.14 1.61 0.02 -1.25 -0.74 135.00 138.88 3m1r s PRO 37 Ca 0.00 2.11 -0.10 0.00 0.02 0.00 0.00 61.00 63.04 3m1r s PRO 37 Cb 0.00 -3.15 0.04 0.00 0.02 0.00 0.00 34.50 31.42 3m1r s PRO 37 CO 0.00 -0.22 0.34 0.00 -0.33 0.00 0.00 177.00 176.80 3m1r s ALA 38 N -0.37 -0.85 0.29 -1.55 0.00 -1.01 -4.31 121.76 113.96 3m1r s ALA 38 Ca 0.54 1.12 -0.29 0.00 0.00 0.00 0.00 51.96 53.33 3m1r s ALA 38 Cb -0.38 -0.67 -0.10 0.00 0.00 0.00 0.00 23.12 21.97 3m1r s ALA 38 CO 0.43 -0.20 1.21 -0.51 0.00 0.00 0.00 175.76 176.69 3m1r s LEU 39 N 0.70 4.49 -0.04 0.00 1.43 0.17 -1.80 118.68 123.63 3m1r s LEU 39 Ca -0.04 2.46 -0.03 0.00 -1.03 0.00 0.00 54.13 55.49 3m1r s LEU 39 Cb -0.05 -3.63 0.02 0.00 0.03 0.00 0.00 46.19 42.55 3m1r s LEU 39 CO -0.05 -0.34 0.10 -0.51 0.23 0.00 0.00 176.35 175.78 3m1r s ILE 40 N -1.03 -0.03 0.01 -0.59 2.07 -0.39 -0.91 121.20 120.34 3m1r s ILE 40 Ca 0.47 0.10 -0.10 0.00 -1.41 0.00 0.00 60.65 59.71 3m1r s ILE 40 Cb -0.36 -0.16 -0.05 0.00 0.13 0.00 0.00 42.46 42.02 3m1r s ILE 40 CO 0.46 0.04 0.33 -0.83 -1.91 0.00 0.00 174.94 173.03 3m1r s GLY 41 N 0.60 2.33 -0.50 1.50 0.00 0.73 -0.98 107.32 110.99 3m1r s GLY 41 Ca -0.05 -0.42 0.04 0.00 0.00 0.00 0.00 44.72 44.30 3m1r s GLY 41 CO -0.02 -0.17 0.39 -0.62 0.00 0.00 0.00 173.10 172.68 3m1r n VAL 42 N 1.33 -0.36 -1.02 1.40 0.31 0.41 -0.26 118.33 120.14 3m1r n VAL 42 Ca -0.12 -3.86 -0.20 0.00 -0.01 0.00 0.00 64.34 60.14 3m1r n VAL 42 Cb 0.53 -1.81 -0.11 0.00 -0.91 0.00 0.00 33.84 31.54 3m1r n VAL 42 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3m1r n PRO 43 N 2.54 2.42 -3.77 5.55 -0.05 -1.26 -3.14 135.00 137.28 3m1r n PRO 43 Ca 0.27 -1.35 -0.36 0.00 -0.05 0.00 0.00 63.50 62.02 3m1r n PRO 43 Cb 0.44 -2.25 -0.10 0.00 -0.05 0.00 0.00 33.50 31.54 3m1r n PRO 43 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 175.50 174.28 3m1r s LEU 44 N 0.06 3.99 0.00 1.53 2.96 -1.26 -4.54 118.68 121.41 3m1r s LEU 44 Ca 0.62 0.09 0.00 0.00 -0.22 0.00 0.00 54.13 54.62 3m1r s LEU 44 Cb 0.24 -2.05 0.00 0.00 0.50 0.00 0.00 46.19 44.88 3m1r s LEU 44 CO -0.02 0.10 0.00 -1.54 -1.32 0.00 0.00 176.35 173.57 3m1r n SER 45 N 4.03 0.00 0.26 3.68 3.41 -1.26 0.13 113.62 123.86 3m1r n SER 45 Ca -0.16 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.57 3m1r n SER 45 Cb 0.52 0.00 0.71 0.00 -0.26 0.00 0.00 64.21 65.18 3m1r n SER 45 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3m1r h LYS 46 N 0.00 0.00 0.00 4.33 6.56 -1.90 -0.81 116.57 124.75 3m1r h LYS 46 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3m1r h LYS 46 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 3m1r h LYS 46 CO 0.00 0.12 0.00 -1.13 -2.06 0.00 0.00 179.45 176.38 3m1r n SER 47 N -3.80 0.21 -4.73 0.86 3.41 -1.26 -4.77 113.62 103.54 3m1r n SER 47 Ca -0.02 0.57 -0.42 0.00 -0.26 0.00 0.00 58.87 58.74 3m1r n SER 47 Cb 0.22 -0.61 -0.03 0.00 -0.26 0.00 0.00 64.21 63.53 3m1r n SER 47 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3m1r s SER 48 N -3.40 6.61 0.16 4.04 0.01 -0.31 -3.11 113.70 117.70 3m1r s SER 48 Ca 0.03 2.66 -0.15 0.00 1.31 0.00 0.00 55.95 59.79 3m1r s SER 48 Cb 0.06 -2.61 0.08 0.00 0.21 0.00 0.00 66.02 63.76 3m1r s SER 48 CO 0.20 -0.77 1.75 0.40 0.41 0.00 0.00 173.24 175.23 3m1r h ILE 49 N 3.76 0.89 -2.39 1.44 2.04 -1.89 -3.42 117.51 117.94 3m1r h ILE 49 Ca -0.44 -0.10 -0.46 0.00 1.00 0.00 0.00 64.86 64.85 3m1r h ILE 49 Cb 1.21 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.85 3m1r h ILE 49 CO 0.84 0.06 -0.33 -0.94 0.00 0.00 0.00 178.15 177.78 3m1r s SER 50 N -5.37 6.26 0.26 1.72 1.04 -1.26 -5.05 113.70 111.29 3m1r s SER 50 Ca -0.13 0.19 -0.31 0.00 0.48 0.00 0.00 55.95 56.18 3m1r s SER 50 Cb 0.12 -1.85 -0.13 0.00 0.10 0.00 0.00 66.02 64.26 3m1r s SER 50 CO 0.72 -0.20 1.44 1.57 0.98 0.00 0.00 173.24 177.74 3m1r n HIS 51 N -1.59 2.31 -3.68 5.02 -0.00 -1.26 -4.98 115.22 111.04 3m1r n HIS 51 Ca -0.06 0.41 -0.10 0.00 0.46 0.00 0.00 57.72 58.42 3m1r n HIS 51 Cb 0.57 -2.48 -0.11 0.00 -0.12 0.00 0.00 29.99 27.85 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 0.29 -0.36 -0.12 0.26 0.15 -1.26 -4.99 113.70 107.66 3m1r s SER 52 Ca 0.66 0.88 0.05 0.00 0.70 0.00 0.00 55.95 58.24 3m1r s SER 52 Cb -0.61 0.91 0.33 0.00 -1.71 0.00 0.00 66.02 64.94 3m1r s SER 52 CO 0.50 -0.21 1.13 0.61 1.20 0.00 0.00 173.24 176.47 3m1r n GLY 53 N 4.67 2.38 0.32 9.45 0.00 -1.26 -4.51 105.19 116.24 3m1r n GLY 53 Ca -0.18 -0.41 0.14 0.00 0.00 0.00 0.00 46.02 45.57 3m1r n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m1r h ALA 54 N 2.51 2.22 0.00 4.61 0.00 -1.89 0.11 119.26 126.82 3m1r h ALA 54 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3m1r h ALA 54 Cb 1.31 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3m1r h ALA 54 CO 0.28 -0.32 0.05 -1.13 0.00 0.00 0.00 179.25 178.12 3m1r n SER 55 N -4.42 0.16 0.05 0.00 3.41 -1.26 -0.76 113.62 110.79 3m1r n SER 55 Ca 0.03 0.54 0.11 0.00 -0.26 0.00 0.00 58.87 59.29 3m1r n SER 55 Cb 0.35 -0.55 -0.03 0.00 -0.26 0.00 0.00 64.21 63.72 3m1r n SER 55 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3m1r n PHE 56 N -1.69 0.49 -0.18 7.33 3.01 0.38 -4.45 117.46 122.35 3m1r n PHE 56 Ca -0.00 0.14 0.04 0.00 1.01 0.00 0.00 57.45 58.64 3m1r n PHE 56 Cb 0.06 -0.66 0.31 0.00 -0.01 0.00 0.00 39.48 39.18 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 2.21 1.60 -0.96 4.37 0.00 -1.06 -2.33 119.26 123.09 3m1r h ALA 57 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3m1r h ALA 57 Cb 0.90 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 3m1r h ALA 57 CO 0.00 0.33 0.62 -1.35 0.00 0.00 0.00 179.25 178.84 3m1r h PRO 58 N 0.86 1.28 0.12 0.00 0.11 -1.75 0.39 132.00 133.00 3m1r h PRO 58 Ca 0.29 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3m1r h PRO 58 Cb 0.07 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 30.89 3m1r h PRO 58 CO -0.08 0.87 -0.12 0.78 -0.21 0.00 0.00 178.00 179.24 3m1r h GLY 59 N 1.32 -0.24 1.41 -0.55 0.00 -1.72 -1.52 103.07 101.76 3m1r h GLY 59 Ca 0.35 0.14 -0.23 0.00 0.00 0.00 0.00 47.33 47.58 3m1r h GLY 59 CO -0.07 -0.12 -0.93 -0.91 0.00 0.00 0.00 176.54 174.50 3m1r h THR 60 N -0.26 1.35 -0.46 4.70 1.35 -1.10 -2.40 112.91 116.09 3m1r h THR 60 Ca 0.01 -2.31 0.00 0.00 -0.55 0.00 0.00 66.41 63.56 3m1r h THR 60 Cb 0.25 2.33 -0.02 0.00 -1.73 0.00 0.00 68.15 68.98 3m1r h THR 60 CO -0.03 0.70 0.31 0.40 -0.25 0.00 0.00 175.52 176.64 3m1r h ILE 61 N 0.32 1.12 -0.27 6.82 2.04 -0.32 -1.37 117.51 125.84 3m1r h ILE 61 Ca -0.09 -0.22 0.07 0.00 1.00 0.00 0.00 64.86 65.62 3m1r h ILE 61 Cb 1.57 0.44 -0.07 0.00 -0.74 0.00 0.00 36.82 38.02 3m1r h ILE 61 CO 0.17 0.12 -0.22 0.03 0.00 0.00 0.00 178.15 178.24 3m1r h ARG 62 N 0.63 -0.21 -0.87 2.37 3.08 -1.25 0.15 114.38 118.28 3m1r h ARG 62 Ca 0.17 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 3m1r h ARG 62 Cb -0.07 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 3m1r h ARG 62 CO -0.04 -0.14 0.47 0.37 -1.07 0.00 0.00 179.97 179.57 3m1r h GLN 63 N -0.21 1.21 -0.31 0.04 4.15 -1.25 0.72 115.11 119.46 3m1r h GLN 63 Ca 0.15 -0.14 -0.13 0.00 0.77 0.00 0.00 58.65 59.30 3m1r h GLN 63 Cb 0.44 -0.24 -0.00 0.00 0.21 0.00 0.00 27.48 27.89 3m1r h GLN 63 CO -0.40 0.89 -0.30 0.00 -1.93 0.00 0.00 178.83 177.09 3m1r h ALA 64 N 1.30 0.46 0.27 3.38 0.00 -0.85 -2.43 119.26 121.40 3m1r h ALA 64 Ca 0.31 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3m1r h ALA 64 Cb 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3m1r h ALA 64 CO -0.05 0.49 -0.23 1.25 0.00 0.00 0.00 179.25 180.71 3m1r h LEU 65 N 0.53 -0.60 -1.28 0.00 5.85 -0.28 -2.75 115.31 116.77 3m1r h LEU 65 Ca 0.05 0.05 0.17 0.00 0.84 0.00 0.00 57.88 58.99 3m1r h LEU 65 Cb 0.88 0.20 -0.08 0.00 0.37 0.00 0.00 40.66 42.03 3m1r h LEU 65 CO 0.08 -0.35 0.59 0.11 -0.34 0.00 0.00 178.44 178.53 3m1r h LYS 66 N -0.52 0.62 0.00 1.25 1.57 -0.86 0.15 116.57 118.79 3m1r h LYS 66 Ca -0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3m1r h LYS 66 Cb 0.46 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3m1r h LYS 66 CO -0.02 0.41 0.00 0.72 -0.57 0.00 0.00 179.45 179.99 3m1r n HIS 67 N -4.59 0.73 -2.70 -1.35 8.25 -0.92 -1.38 115.22 113.27 3m1r n HIS 67 Ca 0.19 0.22 -0.35 0.00 -0.26 0.00 0.00 57.72 57.53 3m1r n HIS 67 Cb 0.55 -0.86 -0.06 0.00 1.12 0.00 0.00 29.99 30.74 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 -4.19 6.86 0.45 0.41 0.01 0.04 -4.99 113.70 112.30 3m1r s SER 68 Ca 0.10 1.84 -0.24 0.00 1.31 0.00 0.00 55.95 58.96 3m1r s SER 68 Cb 0.13 -2.56 -0.07 0.00 0.21 0.00 0.00 66.02 63.72 3m1r s SER 68 CO 0.55 -0.41 1.30 -0.55 0.41 0.00 0.00 173.24 174.54 3m1r s SER 69 N -1.89 5.98 0.00 2.44 0.15 -1.26 -4.52 113.70 114.61 3m1r s SER 69 Ca 0.60 2.64 0.28 0.00 0.70 0.00 0.00 55.95 60.17 3m1r s SER 69 Cb -0.15 -2.63 1.11 0.00 -1.71 0.00 0.00 66.02 62.63 3m1r s SER 69 CO 0.20 -1.07 1.78 0.00 1.20 0.00 0.00 173.24 175.35 3m1r n ALA 70 N -0.31 2.82 -2.64 5.45 0.00 -0.72 -4.89 120.51 120.23 3m1r n ALA 70 Ca 0.06 -0.32 -0.41 0.00 0.00 0.00 0.00 53.44 52.77 3m1r n ALA 70 Cb 0.45 -1.27 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 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 -2.41 3.33 -0.24 0.00 5.04 -1.26 -0.87 117.35 120.95 3m1r s TYR 71 Ca 0.29 0.92 -0.10 0.00 -2.44 0.00 0.00 57.07 55.74 3m1r s TYR 71 Cb 0.20 -2.86 -0.05 0.00 0.35 0.00 0.00 41.96 39.61 3m1r s TYR 71 CO 0.47 -0.27 0.15 0.45 -1.34 0.00 0.00 175.55 175.00 3m1r s SER 72 N 1.33 6.02 0.15 4.32 0.15 -0.96 -4.97 113.70 119.75 3m1r s SER 72 Ca 0.29 0.09 0.01 0.00 0.70 0.00 0.00 55.95 57.04 3m1r s SER 72 Cb -0.16 -2.08 -0.04 0.00 -1.71 0.00 0.00 66.02 62.03 3m1r s SER 72 CO 0.09 0.07 1.35 0.00 1.20 0.00 0.00 173.24 175.95 3m1r h ALA 73 N 7.49 0.47 0.00 5.45 0.00 -1.97 -1.24 119.26 129.46 3m1r h ALA 73 Ca -0.38 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 53.80 3m1r h ALA 73 Cb 1.17 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3m1r h ALA 73 CO 0.65 0.91 0.00 1.49 0.00 0.00 0.00 179.25 182.31 3m1r h GLU 74 N 0.12 0.00 0.00 0.00 4.81 -1.94 -2.82 114.58 114.74 3m1r h GLU 74 Ca -0.05 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 3m1r h GLU 74 Cb 1.54 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.91 3m1r h GLU 74 CO 0.14 0.00 -1.87 1.28 -0.73 0.00 0.00 179.01 177.83 3m1r n LEU 75 N -2.75 0.00 -0.88 1.64 4.32 -1.09 -4.98 117.00 113.26 3m1r n LEU 75 Ca -0.01 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.87 3m1r n LEU 75 Cb 0.16 0.12 -0.05 0.00 -1.62 0.00 0.00 43.42 42.03 3m1r n LEU 75 CO 0.20 0.12 -0.11 0.61 -1.22 0.00 0.00 177.39 176.99 3m1r n GLY 76 N 1.69 1.21 3.68 -0.72 0.00 -0.49 -4.96 105.19 105.61 3m1r n GLY 76 Ca -0.10 -0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.84 1.62 0.53 1.61 -1.05 -1.17 -5.03 118.70 112.37 3m1r s GLU 77 Ca 0.00 -1.13 -0.20 0.00 -0.15 0.00 0.00 54.97 53.49 3m1r s GLU 77 Cb 0.00 0.52 -0.06 0.00 -0.44 0.00 0.00 34.13 34.15 3m1r s GLU 77 CO 0.00 -0.70 1.14 -1.01 0.95 0.00 0.00 175.26 175.64 3m1r s HIS 78 N -3.97 2.71 -0.76 4.83 3.76 -1.26 -2.26 115.29 118.34 3m1r s HIS 78 Ca 0.17 1.54 0.26 0.00 -0.15 0.00 0.00 55.06 56.89 3m1r s HIS 78 Cb -0.03 -3.31 0.86 0.00 1.11 0.00 0.00 32.58 31.21 3m1r s HIS 78 CO 0.07 -1.58 1.79 1.33 -0.85 0.00 0.00 174.74 175.51 3m1r n VAL 79 N -1.13 0.53 -4.64 -0.90 0.24 -0.05 -4.47 118.33 107.92 3m1r n VAL 79 Ca 0.11 -0.25 -0.23 0.00 -2.04 0.00 0.00 64.34 61.92 3m1r n VAL 79 Cb 0.50 -0.58 -0.16 0.00 -1.47 0.00 0.00 33.84 32.14 3m1r n VAL 79 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3m1r s VAL 80 N -3.09 1.14 -0.07 3.34 0.11 -1.26 -4.69 120.40 115.88 3m1r s VAL 80 Ca 0.11 -0.56 -0.04 0.00 -2.93 0.00 0.00 61.98 58.56 3m1r s VAL 80 Cb 0.13 -0.99 -0.01 0.00 -1.53 0.00 0.00 36.38 33.98 3m1r s VAL 80 CO 0.59 0.34 -0.07 0.77 -3.33 0.00 0.00 175.10 173.39 3m1r h SER 81 N 6.24 0.00 0.00 3.54 4.64 -1.99 -3.46 113.55 122.52 3m1r h SER 81 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3m1r h SER 81 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3m1r h SER 81 CO 0.48 0.37 0.00 -0.62 -0.87 0.00 0.00 176.83 176.19 3m1r n GLU 82 N -3.48 0.00 -3.63 4.77 4.71 -1.26 -5.06 120.64 116.69 3m1r n GLU 82 Ca -0.03 0.06 -0.10 0.00 -0.01 0.00 0.00 57.16 57.07 3m1r n GLU 82 Cb 0.11 -0.57 -0.03 0.00 -1.01 0.00 0.00 31.44 29.94 3m1r n GLU 82 CO 0.00 0.00 0.00 -0.48 0.09 0.00 0.00 177.13 176.74 3m1r s LEU 83 N -1.34 -0.05 -0.24 -4.62 0.05 -1.26 -4.90 118.68 106.32 3m1r s LEU 83 Ca 0.00 -0.31 -0.00 0.00 0.05 0.00 0.00 54.13 53.87 3m1r s LEU 83 Cb 0.00 2.23 0.07 0.00 -2.05 0.00 0.00 46.19 46.44 3m1r s LEU 83 CO 0.00 -1.00 -0.01 -0.22 -0.55 0.00 0.00 176.35 174.57 3m1r s LEU 84 N -2.82 2.25 0.47 1.48 2.96 -0.02 -5.01 118.68 117.99 3m1r s LEU 84 Ca 0.05 -1.16 -0.23 0.00 -0.22 0.00 0.00 54.13 52.57 3m1r s LEU 84 Cb -0.01 -1.01 -0.07 0.00 0.50 0.00 0.00 46.19 45.61 3m1r s LEU 84 CO -0.07 -0.28 1.27 -0.31 -1.32 0.00 0.00 176.35 175.64 3m1r s TYR 85 N 1.52 2.66 -0.39 5.38 2.02 -1.26 -2.25 117.35 125.02 3m1r s TYR 85 Ca -0.02 1.44 -0.05 0.00 -0.37 0.00 0.00 57.07 58.07 3m1r s TYR 85 Cb -0.18 -3.61 0.09 0.00 -0.40 0.00 0.00 41.96 37.86 3m1r s TYR 85 CO -0.09 -2.15 0.18 0.34 -1.57 0.00 0.00 175.55 172.27 3m1r s ASP 86 N -1.04 5.32 0.51 2.29 -1.08 -0.28 -0.66 116.67 121.73 3m1r s ASP 86 Ca 0.64 -1.71 0.33 0.00 -0.52 0.00 0.00 52.55 51.30 3m1r s ASP 86 Cb -0.35 -1.86 1.50 0.00 -1.46 0.00 0.00 42.92 40.74 3m1r s ASP 86 CO 0.43 -0.49 2.00 -0.07 0.52 0.00 0.00 175.17 177.56 3m1r h LEU 87 N 8.16 0.00 0.00 -1.34 4.07 -1.33 -2.48 115.31 122.40 3m1r h LEU 87 Ca -0.18 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.78 3m1r h LEU 87 Cb 1.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.80 3m1r h LEU 87 CO 0.69 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.66 3m1r n GLY 88 N -0.26 -0.71 3.48 0.83 0.00 -1.26 -4.87 105.19 102.40 3m1r n GLY 88 Ca 0.00 -2.13 -0.32 0.00 0.00 0.00 0.00 46.02 43.58 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 3.97 -0.07 1.61 1.01 -1.26 -0.20 116.67 117.73 3m1r s ASP 89 Ca 0.00 -0.30 -0.30 0.00 0.71 0.00 0.00 52.55 52.66 3m1r s ASP 89 Cb 0.00 -0.75 -0.03 0.00 1.01 0.00 0.00 42.92 43.15 3m1r s ASP 89 CO 0.00 0.29 1.19 -0.63 0.21 0.00 0.00 175.17 176.23 3m1r s ILE 90 N -0.85 4.31 0.14 0.77 1.01 0.64 -4.92 121.20 122.28 3m1r s ILE 90 Ca 0.14 1.62 -0.32 0.00 0.00 0.00 0.00 60.65 62.09 3m1r s ILE 90 Cb -0.11 -4.04 -0.11 0.00 0.01 0.00 0.00 42.46 38.21 3m1r s ILE 90 CO 0.04 -0.02 1.79 -0.67 0.00 0.00 0.00 174.94 176.08 3m1r n ASP 91 N 5.34 3.90 -4.23 3.58 4.64 -1.26 -4.52 116.55 124.00 3m1r n ASP 91 Ca 0.11 1.01 -0.30 0.00 -1.38 0.00 0.00 54.79 54.23 3m1r n ASP 91 Cb 0.46 -1.53 -0.16 0.00 -1.04 0.00 0.00 41.12 38.85 3m1r n ASP 91 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 3m1r s ILE 92 N 2.25 1.89 0.33 5.18 -0.00 -1.26 -4.78 121.20 124.80 3m1r s ILE 92 Ca 0.81 -0.97 -0.29 0.00 -0.00 0.00 0.00 60.65 60.20 3m1r s ILE 92 Cb -0.52 -1.60 -0.10 0.00 -0.00 0.00 0.00 42.46 40.23 3m1r s ILE 92 CO 0.37 0.53 1.39 -2.28 -0.00 0.00 0.00 174.94 174.94 3m1r s HIS 93 N -0.05 2.91 0.19 1.37 5.65 -1.26 -4.87 115.29 119.23 3m1r s HIS 93 Ca -0.05 1.26 0.35 0.00 0.25 0.00 0.00 55.06 56.87 3m1r s HIS 93 Cb -0.14 -3.81 1.62 0.00 -1.18 0.00 0.00 32.58 29.07 3m1r s HIS 93 CO 0.04 -2.36 2.06 -0.39 -0.65 0.00 0.00 174.74 173.44 3m1r h VAL 94 N 3.12 0.00 0.00 0.89 -1.51 -2.01 -3.35 116.25 113.38 3m1r h VAL 94 Ca -0.49 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 64.65 3m1r h VAL 94 Cb 1.23 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 31.68 3m1r h VAL 94 CO 0.68 0.00 -0.36 0.41 -1.23 0.00 0.00 177.57 177.06 3m1r n THR 95 N -2.99 0.00 -3.64 7.19 -1.04 -1.26 -5.02 114.28 107.52 3m1r n THR 95 Ca -0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.62 3m1r n THR 95 Cb 0.23 -0.35 -0.12 0.00 -1.82 0.00 0.00 70.33 68.27 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 -1.83 5.61 -0.11 8.00 -1.08 -1.26 -4.97 116.67 121.03 3m1r s ASP 96 Ca 0.00 -0.51 0.06 0.00 -0.52 0.00 0.00 52.55 51.57 3m1r s ASP 96 Cb 0.00 -2.02 -0.24 0.00 -1.46 0.00 0.00 42.92 39.21 3m1r s ASP 96 CO 0.00 -0.20 0.39 -0.38 0.52 0.00 0.00 175.17 175.50 3m1r n ILE 97 N 4.99 1.63 -0.03 4.11 -0.00 -1.26 -2.59 119.36 126.21 3m1r n ILE 97 Ca -0.14 -0.73 -0.11 0.00 -0.00 0.00 0.00 62.75 61.77 3m1r n ILE 97 Cb 0.49 -1.24 -0.05 0.00 -0.00 0.00 0.00 39.64 38.84 3m1r n ILE 97 CO 0.00 0.00 0.00 -0.37 -0.00 0.00 0.00 176.55 176.18 3m1r h VAL 98 N 0.03 1.09 -0.75 1.39 -1.51 -1.99 -1.91 116.25 112.60 3m1r h VAL 98 Ca -0.40 -0.25 0.16 0.00 -1.23 0.00 0.00 66.70 64.98 3m1r h VAL 98 Cb 2.04 0.97 -0.11 0.00 -2.13 0.00 0.00 31.29 32.06 3m1r h VAL 98 CO 0.06 0.09 0.24 0.50 -1.23 0.00 0.00 177.57 177.23 3m1r h LYS 99 N 0.17 0.33 -0.95 5.19 3.64 -1.99 -1.41 116.57 121.54 3m1r h LYS 99 Ca 0.06 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3m1r h LYS 99 Cb 0.06 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 3m1r h LYS 99 CO -0.01 0.22 0.60 0.77 -2.27 0.00 0.00 179.45 178.75 3m1r h SER 100 N 0.34 1.12 0.65 4.20 0.02 -1.17 -0.38 113.55 118.33 3m1r h SER 100 Ca 0.43 -0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 61.24 3m1r h SER 100 Cb 0.71 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 3m1r h SER 100 CO -0.47 0.84 -0.42 0.45 -1.14 0.00 0.00 176.83 176.09 3m1r h HIS 101 N 1.30 0.00 -0.09 3.45 3.86 -0.53 -1.79 115.15 121.35 3m1r h HIS 101 Ca 0.34 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.34 3m1r h HIS 101 Cb -0.09 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.38 3m1r h HIS 101 CO 0.00 0.42 -0.82 0.45 0.86 0.00 0.00 177.93 178.84 3m1r h HIS 102 N 0.00 0.85 -0.45 2.45 -0.00 -0.51 -2.42 115.15 115.07 3m1r h HIS 102 Ca -0.00 -0.40 -0.01 0.00 -0.00 0.00 0.00 60.37 59.96 3m1r h HIS 102 Cb 0.86 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 28.12 3m1r h HIS 102 CO 0.00 1.21 0.25 0.45 -0.00 0.00 0.00 177.93 179.83 3m1r h HIS 103 N 0.40 0.63 -0.24 2.45 3.86 -0.91 -0.19 115.15 121.15 3m1r h HIS 103 Ca -0.06 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.13 3m1r h HIS 103 Cb 1.44 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.70 3m1r h HIS 103 CO 0.07 0.48 0.13 0.82 0.86 0.00 0.00 177.93 180.29 3m1r h ILE 104 N 0.60 1.12 0.20 2.45 2.04 -1.33 0.50 117.51 123.08 3m1r h ILE 104 Ca 0.16 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 3m1r h ILE 104 Cb 0.06 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 3m1r h ILE 104 CO -0.02 0.12 -0.10 0.15 0.00 0.00 0.00 178.15 178.29 3m1r h PHE 105 N 0.28 -0.25 -0.47 1.37 3.04 -1.34 -3.16 116.94 116.40 3m1r h PHE 105 Ca 0.08 -0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.10 3m1r h PHE 105 Cb 0.07 0.08 -0.06 0.00 2.56 0.00 0.00 35.95 38.60 3m1r h PHE 105 CO -0.03 0.00 0.11 1.96 -2.02 0.00 0.00 178.31 178.33 3m1r h GLN 106 N -0.48 0.24 -0.27 1.11 4.20 -0.94 0.40 115.11 119.37 3m1r h GLN 106 Ca -0.03 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3m1r h GLN 106 Cb 0.36 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3m1r h GLN 106 CO 0.05 0.16 0.00 2.41 -0.67 0.00 0.00 178.83 180.78 3m1r n THR 107 N -5.09 0.00 0.00 -0.54 -1.04 0.16 -1.42 114.28 106.35 3m1r n THR 107 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 3m1r n THR 107 Cb 0.22 -0.14 0.00 0.00 -1.82 0.00 0.00 70.33 68.58 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 0.34 0.00 -0.18 -1.42 -0.00 0.13 -1.69 115.22 112.40 3m1r n HIS 109 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.66 3m1r n HIS 109 Cb 0.07 0.00 0.10 0.00 -0.00 0.00 0.00 29.99 30.16 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 1.01 -0.22 1.57 0.00 -1.47 0.20 119.26 120.34 3m1r h ALA 110 Ca 0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 3m1r h ALA 110 Cb 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3m1r h ALA 110 CO 0.00 0.62 -0.26 -0.07 0.00 0.00 0.00 179.25 179.54 3m1r h LEU 111 N 0.91 0.61 -0.66 0.00 3.38 -1.59 -1.20 115.31 116.77 3m1r h LEU 111 Ca 0.18 -0.49 -0.09 0.00 0.09 0.00 0.00 57.88 57.57 3m1r h LEU 111 Cb 0.43 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3m1r h LEU 111 CO 0.01 0.98 0.04 -0.07 0.09 0.00 0.00 178.44 179.50 3m1r h LEU 112 N 0.26 1.05 0.82 1.67 3.38 -1.78 0.39 115.31 121.10 3m1r h LEU 112 Ca 0.03 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 3m1r h LEU 112 Cb 0.83 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 41.30 3m1r h LEU 112 CO 0.06 1.08 -0.40 0.28 0.09 0.00 0.00 178.44 179.56 3m1r h SER 113 N 1.00 -0.94 0.66 -0.43 0.02 -0.96 -3.26 113.55 109.64 3m1r h SER 113 Ca 0.18 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.13 3m1r h SER 113 Cb 0.52 0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.30 3m1r h SER 113 CO 0.02 -0.62 -0.12 0.44 -1.14 0.00 0.00 176.83 175.41 3m1r h ASP 114 N -1.19 0.00 -2.54 3.07 3.32 -1.14 -3.36 116.42 114.57 3m1r h ASP 114 Ca -0.11 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.34 3m1r h ASP 114 Cb 0.86 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.01 3m1r h ASP 114 CO 0.19 0.12 -0.83 1.41 -1.72 0.00 0.00 179.24 178.41 3m1r n HIS 115 N -3.40 0.87 0.25 4.55 8.25 0.14 -4.97 115.22 120.90 3m1r n HIS 115 Ca -0.01 -3.73 0.16 0.00 -0.26 0.00 0.00 57.72 53.88 3m1r n HIS 115 Cb 0.31 -0.16 0.81 0.00 1.12 0.00 0.00 29.99 32.07 3m1r n HIS 115 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3m1r h PRO 116 N 5.25 0.00 -0.71 -0.41 0.11 -1.71 0.12 132.00 134.64 3m1r h PRO 116 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3m1r h PRO 116 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3m1r h PRO 116 CO 0.53 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.07 3m1r n ASP 117 N -2.59 3.85 -4.69 -2.05 10.43 -1.26 -4.94 116.55 115.30 3m1r n ASP 117 Ca -0.02 -2.00 -0.42 0.00 2.57 0.00 0.00 54.79 54.92 3m1r n ASP 117 Cb 0.07 -0.48 -0.03 0.00 1.84 0.00 0.00 41.12 42.53 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 -1.05 3.47 -0.40 1.24 -0.00 0.41 0.94 118.94 123.56 3m1r s TRP 118 Ca 0.48 1.54 -0.08 0.00 -0.00 0.00 0.00 56.10 58.04 3m1r s TRP 118 Cb 0.25 -3.22 0.07 0.00 -0.00 0.00 0.00 33.47 30.57 3m1r s TRP 118 CO 0.33 -0.39 0.21 0.08 -0.00 0.00 0.00 176.95 177.18 3m1r s VAL 119 N 1.98 3.98 0.13 5.86 1.01 0.08 -4.91 120.40 128.52 3m1r s VAL 119 Ca 0.50 -1.42 -0.31 0.00 0.00 0.00 0.00 61.98 60.74 3m1r s VAL 119 Cb -0.19 -3.43 -0.09 0.00 0.00 0.00 0.00 36.38 32.66 3m1r s VAL 119 CO 0.19 -0.45 1.59 -2.84 0.00 0.00 0.00 175.10 173.60 3m1r s PRO 120 N 1.38 4.21 -0.56 2.72 0.02 -1.25 -2.41 135.00 139.12 3m1r s PRO 120 Ca 0.02 2.34 -0.13 0.00 0.02 0.00 0.00 61.00 63.26 3m1r s PRO 120 Cb -0.22 -3.33 0.14 0.00 0.02 0.00 0.00 34.50 31.11 3m1r s PRO 120 CO 0.01 -0.65 0.48 -0.51 -0.33 0.00 0.00 177.00 176.00 3m1r s LEU 121 N 1.73 6.05 -0.20 -5.54 1.02 -0.75 -1.42 118.68 119.57 3m1r s LEU 121 Ca 0.71 -2.01 -0.15 0.00 0.02 0.00 0.00 54.13 52.71 3m1r s LEU 121 Cb -0.42 -2.12 -0.04 0.00 0.02 0.00 0.00 46.19 43.63 3m1r s LEU 121 CO 0.32 -0.74 0.36 -0.63 0.02 0.00 0.00 176.35 175.67 3m1r s ILE 122 N 1.25 5.23 -0.42 -0.59 1.01 0.21 -1.26 121.20 126.63 3m1r s ILE 122 Ca 0.07 0.62 -0.09 0.00 0.00 0.00 0.00 60.65 61.25 3m1r s ILE 122 Cb -0.26 -3.69 0.08 0.00 0.01 0.00 0.00 42.46 38.61 3m1r s ILE 122 CO -0.00 0.28 0.27 -0.76 0.00 0.00 0.00 174.94 174.72 3m1r s LEU 123 N 1.19 5.22 1.03 2.97 1.02 -0.16 -1.50 118.68 128.44 3m1r s LEU 123 Ca 0.17 -1.57 -0.15 0.00 0.02 0.00 0.00 54.13 52.60 3m1r s LEU 123 Cb -0.14 -1.99 0.20 0.00 0.02 0.00 0.00 46.19 44.29 3m1r s LEU 123 CO 0.07 -0.56 1.16 -0.83 0.02 0.00 0.00 176.35 176.22 3m1r s GLY 124 N 2.18 1.62 0.00 -3.19 0.00 -0.02 -0.45 107.32 107.46 3m1r s GLY 124 Ca 0.03 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 43.96 3m1r s GLY 124 CO 0.02 -0.07 0.00 0.61 0.00 0.00 0.00 173.10 173.65 3m1r n GLY 125 N -2.01 -0.71 3.87 0.20 0.00 -0.85 -3.39 105.19 102.29 3m1r n GLY 125 Ca 0.10 -1.58 -0.23 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.09 1.33 -0.30 1.61 3.85 0.12 -2.57 116.55 119.50 3m1r n ASP 126 Ca 0.00 -2.13 0.14 0.00 -0.71 0.00 0.00 54.79 52.10 3m1r n ASP 126 Cb 0.00 -0.65 0.39 0.00 -1.35 0.00 0.00 41.12 39.51 3m1r n ASP 126 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.20 176.97 3m1r h ASN 127 N -0.61 0.64 0.31 -1.12 -0.26 -1.90 -2.86 115.58 109.78 3m1r h ASN 127 Ca -0.33 0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.47 3m1r h ASN 127 Cb 1.22 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 38.42 3m1r h ASN 127 CO 0.35 0.27 0.00 0.77 -1.06 0.00 0.00 177.43 177.76 3m1r h SER 128 N 0.65 0.00 0.57 5.81 4.64 -1.81 -1.29 113.55 122.11 3m1r h SER 128 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 3m1r h SER 128 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3m1r h SER 128 CO -0.26 0.00 0.00 0.16 -0.87 0.00 0.00 176.83 175.86 3m1r h ILE 129 N 0.00 0.00 -0.30 0.95 3.07 -1.87 -3.10 117.51 116.26 3m1r h ILE 129 Ca 0.00 -0.28 -0.01 0.00 1.55 0.00 0.00 64.86 66.13 3m1r h ILE 129 Cb 0.15 1.26 -0.02 0.00 -0.27 0.00 0.00 36.82 37.95 3m1r h ILE 129 CO 0.00 0.00 0.16 0.28 -1.05 0.00 0.00 178.15 177.54 3m1r h SER 130 N 0.00 0.36 0.09 2.16 0.02 -1.48 -1.32 113.55 113.38 3m1r h SER 130 Ca 0.00 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3m1r h SER 130 Cb 0.28 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.73 3m1r h SER 130 CO 0.00 0.29 -0.04 0.22 -1.14 0.00 0.00 176.83 176.16 3m1r h TYR 131 N 0.41 -0.11 -0.39 3.45 3.20 -1.77 -1.44 116.97 120.32 3m1r h TYR 131 Ca 0.11 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.85 3m1r h TYR 131 Cb 0.01 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 3m1r h TYR 131 CO 0.00 -0.04 -0.27 0.77 -1.64 0.00 0.00 178.16 176.98 3m1r h SER 132 N -0.15 0.85 -0.14 -2.11 0.02 -1.62 -2.33 113.55 108.07 3m1r h SER 132 Ca -0.01 -0.33 -0.22 0.00 -0.84 0.00 0.00 61.79 60.39 3m1r h SER 132 Cb 0.12 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 62.43 3m1r h SER 132 CO 0.02 1.07 -0.76 0.71 -1.14 0.00 0.00 176.83 176.72 3m1r h THR 133 N 0.70 1.28 0.01 -2.27 1.35 -1.24 -2.84 112.91 109.90 3m1r h THR 133 Ca 0.08 -1.97 -0.22 0.00 -0.55 0.00 0.00 66.41 63.76 3m1r h THR 133 Cb 0.81 2.02 -0.00 0.00 -1.73 0.00 0.00 68.15 69.25 3m1r h THR 133 CO 0.07 0.62 -0.93 0.40 -0.25 0.00 0.00 175.52 175.43 3m1r h ILE 134 N 0.49 1.44 -0.38 6.82 2.04 -1.33 -2.54 117.51 124.06 3m1r h ILE 134 Ca -0.06 -2.55 -0.02 0.00 1.00 0.00 0.00 64.86 63.24 3m1r h ILE 134 Cb 1.40 2.46 -0.02 0.00 -0.74 0.00 0.00 36.82 39.92 3m1r h ILE 134 CO 0.16 0.75 0.18 0.50 0.00 0.00 0.00 178.15 179.74 3m1r h LYS 135 N 0.17 0.55 -0.38 2.37 3.64 -1.48 0.59 116.57 122.04 3m1r h LYS 135 Ca -0.07 -0.08 0.08 0.00 -1.27 0.00 0.00 60.65 59.30 3m1r h LYS 135 Cb 1.56 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 33.22 3m1r h LYS 135 CO 0.15 0.50 -0.07 0.00 -2.27 0.00 0.00 179.45 177.76 3m1r h ALA 136 N 1.03 0.28 0.16 5.00 0.00 -1.49 -1.68 119.26 122.56 3m1r h ALA 136 Ca 0.13 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3m1r h ALA 136 Cb 0.13 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3m1r h ALA 136 CO -0.02 -0.44 -0.15 0.82 0.00 0.00 0.00 179.25 179.46 3m1r h ILE 137 N 0.03 0.66 -0.77 0.00 1.08 -0.94 -1.74 117.51 115.82 3m1r h ILE 137 Ca 0.19 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.63 3m1r h ILE 137 Cb 0.28 0.66 -0.04 0.00 -3.07 0.00 0.00 36.82 34.66 3m1r h ILE 137 CO -0.37 0.00 0.39 0.00 -0.69 0.00 0.00 178.15 177.48 3m1r h ALA 138 N 0.48 1.24 0.00 1.87 0.00 -0.74 0.75 119.26 122.86 3m1r h ALA 138 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3m1r h ALA 138 Cb 0.31 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3m1r h ALA 138 CO -0.04 0.60 -0.31 1.04 0.00 0.00 0.00 179.25 180.54 3m1r n GLN 139 N -4.33 0.22 -0.05 0.00 6.02 -0.65 -1.48 117.38 117.11 3m1r n GLN 139 Ca 0.08 0.12 -0.05 0.00 -0.01 0.00 0.00 57.00 57.13 3m1r n GLN 139 Cb 0.12 -1.69 -0.08 0.00 1.02 0.00 0.00 30.24 29.61 3m1r n GLN 139 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3m1r n THR 140 N -2.04 0.70 -0.10 5.09 -1.04 -0.66 -4.75 114.28 111.48 3m1r n THR 140 Ca 0.05 -0.42 -0.13 0.00 -2.04 0.00 0.00 64.05 61.50 3m1r n THR 140 Cb 0.41 -0.74 -0.12 0.00 -1.82 0.00 0.00 70.33 68.07 3m1r n THR 140 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3m1r n LYS 141 N -2.40 0.78 0.00 -2.82 4.76 0.26 -4.97 118.16 113.77 3m1r n LYS 141 Ca -0.17 0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 3m1r n LYS 141 Cb 0.83 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.57 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 2.25 0.39 3.59 0.72 0.00 -0.55 -4.96 105.19 106.63 3m1r n GLY 142 Ca -0.35 -2.27 -0.63 0.00 0.00 0.00 0.00 46.02 42.77 3m1r n GLY 142 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3m1r n THR 143 N 0.67 0.06 -4.76 2.61 -1.04 -1.26 -4.42 114.28 106.14 3m1r n THR 143 Ca 0.00 -0.03 -0.28 0.00 -2.04 0.00 0.00 64.05 61.70 3m1r n THR 143 Cb 0.00 -0.69 -0.17 0.00 -1.82 0.00 0.00 70.33 67.65 3m1r n THR 143 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3m1r s THR 144 N 4.17 1.54 0.10 12.58 2.01 -1.26 -1.38 115.64 133.40 3m1r s THR 144 Ca 1.08 -0.70 -0.17 0.00 0.31 0.00 0.00 61.69 62.21 3m1r s THR 144 Cb -1.39 -1.37 -0.07 0.00 0.01 0.00 0.00 72.50 69.68 3m1r s THR 144 CO 0.73 0.45 0.55 0.00 -0.69 0.00 0.00 174.62 175.66 3m1r s ALA 145 N 0.64 3.59 -0.12 7.40 0.00 0.22 -4.75 121.76 128.73 3m1r s ALA 145 Ca -0.14 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 51.79 3m1r s ALA 145 Cb -0.16 -2.58 -0.01 0.00 0.00 0.00 0.00 23.12 20.37 3m1r s ALA 145 CO 0.04 0.42 -0.17 0.08 0.00 0.00 0.00 175.76 176.14 3m1r s VAL 146 N -1.24 2.68 -0.45 0.00 1.01 -0.61 0.12 120.40 121.91 3m1r s VAL 146 Ca 0.32 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 3m1r s VAL 146 Cb -0.18 -2.10 0.10 0.00 0.00 0.00 0.00 36.38 34.20 3m1r s VAL 146 CO 0.19 0.54 0.31 -0.63 0.00 0.00 0.00 175.10 175.50 3m1r s ILE 147 N 0.39 4.27 -0.29 2.22 1.01 0.60 -1.05 121.20 128.36 3m1r s ILE 147 Ca -0.13 -1.56 -0.09 0.00 0.00 0.00 0.00 60.65 58.87 3m1r s ILE 147 Cb -0.17 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.58 3m1r s ILE 147 CO 0.06 -0.63 0.14 0.00 0.00 0.00 0.00 174.94 174.51 3m1r s GLN 148 N 1.41 3.51 -0.07 2.79 -2.07 -0.37 -0.47 119.66 124.40 3m1r s GLN 148 Ca 0.04 -0.60 -0.26 0.00 -1.82 0.00 0.00 55.36 52.73 3m1r s GLN 148 Cb -0.25 -3.52 -0.03 0.00 -1.09 0.00 0.00 33.01 28.12 3m1r s GLN 148 CO 0.01 -0.32 0.82 -0.06 -1.32 0.00 0.00 175.29 174.41 3m1r s PHE 149 N 1.64 3.57 -0.29 9.60 0.08 0.01 -0.80 117.98 131.79 3m1r s PHE 149 Ca 0.05 1.40 -0.25 0.00 0.12 0.00 0.00 56.93 58.25 3m1r s PHE 149 Cb -0.16 -2.95 0.18 0.00 -0.57 0.00 0.00 43.02 39.52 3m1r s PHE 149 CO 0.06 -0.01 1.40 0.34 -0.10 0.00 0.00 175.22 176.91 3m1r s ASP 150 N 0.93 -0.09 0.31 1.36 -1.08 -0.48 -1.18 116.67 116.45 3m1r s ASP 150 Ca 0.42 0.17 0.16 0.00 -0.52 0.00 0.00 52.55 52.78 3m1r s ASP 150 Cb -0.19 0.17 0.30 0.00 -1.46 0.00 0.00 42.92 41.74 3m1r s ASP 150 CO 0.20 -0.03 1.55 0.00 0.52 0.00 0.00 175.17 177.41 3m1r h ALA 151 N 3.13 0.78 -3.50 3.66 0.00 -1.76 -2.12 119.26 119.45 3m1r h ALA 151 Ca -0.25 -0.43 -0.66 0.00 0.00 0.00 0.00 54.91 53.56 3m1r h ALA 151 Cb 1.19 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.76 3m1r h ALA 151 CO 0.18 0.59 -0.72 -1.01 0.00 0.00 0.00 179.25 178.29 3m1r s HIS 152 N -3.20 2.80 0.35 0.00 3.76 -1.26 -1.83 115.29 115.91 3m1r s HIS 152 Ca 0.02 -0.12 0.10 0.00 -0.15 0.00 0.00 55.06 54.91 3m1r s HIS 152 Cb 0.09 -1.46 0.65 0.00 1.11 0.00 0.00 32.58 32.97 3m1r s HIS 152 CO 0.72 0.44 1.80 0.45 -0.85 0.00 0.00 174.74 177.31 3m1r h HIS 153 N 3.55 0.12 -5.91 1.40 3.86 -1.90 -3.47 115.15 112.80 3m1r h HIS 153 Ca -0.49 -0.03 -0.39 0.00 -1.16 0.00 0.00 60.37 58.31 3m1r h HIS 153 Cb 1.17 -0.03 0.10 0.00 1.06 0.00 0.00 27.41 29.71 3m1r h HIS 153 CO 0.60 0.44 -0.77 -0.25 0.86 0.00 0.00 177.93 178.82 3m1r n ASP 154 N -4.11 -3.04 -1.22 2.45 9.92 -1.26 -4.84 116.55 114.45 3m1r n ASP 154 Ca -0.02 -0.68 -0.06 0.00 -0.53 0.00 0.00 54.79 53.50 3m1r n ASP 154 Cb 0.40 -4.63 0.13 0.00 -0.64 0.00 0.00 41.12 36.38 3m1r n ASP 154 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 3m1r n VAL 155 N -4.43 2.25 -1.60 2.53 0.24 -1.08 -2.20 118.33 114.03 3m1r n VAL 155 Ca -0.19 -3.55 -0.36 0.00 -2.04 0.00 0.00 64.34 58.20 3m1r n VAL 155 Cb 0.63 -0.52 0.08 0.00 -1.47 0.00 0.00 33.84 32.56 3m1r n VAL 155 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3m1r s ARG 156 N -3.29 2.34 0.38 7.34 0.52 0.13 -4.69 118.95 121.68 3m1r s ARG 156 Ca 0.43 2.02 -0.25 0.00 -0.52 0.00 0.00 55.73 57.40 3m1r s ARG 156 Cb 0.39 -1.83 -0.12 0.00 0.52 0.00 0.00 34.95 33.91 3m1r s ARG 156 CO -0.03 -1.74 0.97 0.09 0.02 0.00 0.00 175.30 174.60 3m1r n ASN 157 N -2.20 1.08 0.09 0.23 3.02 -1.26 -4.41 115.26 111.81 3m1r n ASN 157 Ca 0.16 1.07 0.06 0.00 -0.03 0.00 0.00 54.58 55.84 3m1r n ASN 157 Cb 0.48 -1.31 -0.01 0.00 -0.61 0.00 0.00 39.78 38.34 3m1r n ASN 157 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3m1r h THR 158 N 1.63 0.27 0.00 3.41 1.03 -1.94 -3.43 112.91 113.87 3m1r h THR 158 Ca -0.42 -1.48 0.00 0.00 -0.01 0.00 0.00 66.41 64.49 3m1r h THR 158 Cb 1.34 1.84 0.00 0.00 -1.07 0.00 0.00 68.15 70.26 3m1r h THR 158 CO 0.58 0.15 -0.01 1.21 -0.01 0.00 0.00 175.52 177.43 3m1r n GLU 159 N -2.85 0.01 -0.20 0.00 4.07 -1.26 -4.75 120.64 115.65 3m1r n GLU 159 Ca -0.03 0.00 0.04 0.00 -0.06 0.00 0.00 57.16 57.12 3m1r n GLU 159 Cb 0.67 -0.26 0.10 0.00 -0.06 0.00 0.00 31.44 31.89 3m1r n GLU 159 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 3m1r n ASP 160 N -2.54 -0.18 0.00 4.31 8.00 -1.26 -5.13 116.55 119.75 3m1r n ASP 160 Ca -0.00 0.97 0.00 0.00 0.71 0.00 0.00 54.79 56.47 3m1r n ASP 160 Cb 0.01 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 3m1r n ASP 160 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3m1r n GLY 161 N -1.34 4.41 2.15 0.44 0.00 -1.26 -5.22 105.19 104.37 3m1r n GLY 161 Ca 0.10 -0.77 0.02 0.00 0.00 0.00 0.00 46.02 45.36 3m1r n GLY 161 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3m1r n THR 164 N 0.00 0.65 -0.11 2.61 -2.24 -1.24 -5.07 114.28 108.89 3m1r n THR 164 Ca 0.00 -1.98 -0.11 0.00 -2.27 0.00 0.00 64.05 59.69 3m1r n THR 164 Cb 0.00 1.13 -0.03 0.00 -2.10 0.00 0.00 70.33 69.32 3m1r n THR 164 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 3m1r h ASN 165 N 1.79 0.59 -0.85 3.42 -1.24 -1.89 -3.21 115.58 114.19 3m1r h ASN 165 Ca -0.18 -0.36 -0.39 0.00 0.71 0.00 0.00 56.30 56.08 3m1r h ASN 165 Cb 1.58 -0.16 -0.23 0.00 0.73 0.00 0.00 38.32 40.24 3m1r h ASN 165 CO 0.14 0.82 0.49 0.61 -1.29 0.00 0.00 177.43 178.20 3m1r n GLY 166 N -0.18 4.04 0.01 1.57 0.00 -1.26 -3.74 105.19 105.63 3m1r n GLY 166 Ca -0.03 -0.98 0.11 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.72 0.02 -0.27 2.61 -2.24 -1.21 0.22 114.28 112.69 3m1r n THR 167 Ca 0.50 -0.37 0.07 0.00 -2.27 0.00 0.00 64.05 61.98 3m1r n THR 167 Cb 1.51 0.25 0.21 0.00 -2.10 0.00 0.00 70.33 70.20 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 0.00 0.37 0.00 -0.78 0.13 -1.77 0.60 132.00 130.54 3m1r h PRO 168 Ca 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3m1r h PRO 168 Cb 0.87 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3m1r h PRO 168 CO 0.00 0.24 0.00 1.19 -0.23 0.00 0.00 178.00 179.20 3m1r n PHE 169 N -5.06 0.62 -0.04 1.56 3.01 -0.94 -1.12 117.46 115.49 3m1r n PHE 169 Ca 0.16 0.19 -0.12 0.00 1.01 0.00 0.00 57.45 58.68 3m1r n PHE 169 Cb 0.48 -0.81 -0.11 0.00 -0.01 0.00 0.00 39.48 39.04 3m1r n PHE 169 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 3m1r h ARG 170 N 0.00 -0.03 -0.77 -1.08 2.43 -0.97 -2.08 114.38 111.88 3m1r h ARG 170 Ca 0.00 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.31 3m1r h ARG 170 Cb 0.61 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 30.08 3m1r h ARG 170 CO 0.00 0.68 0.34 0.00 -1.51 0.00 0.00 179.97 179.49 3m1r h ARG 171 N -0.85 0.49 0.29 0.20 3.08 -1.37 0.21 114.38 116.43 3m1r h ARG 171 Ca -0.00 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3m1r h ARG 171 Cb 0.73 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3m1r h ARG 171 CO 0.01 0.32 -0.14 1.25 -1.07 0.00 0.00 179.97 180.34 3m1r h LEU 172 N 0.51 -0.33 0.19 3.04 5.85 -1.19 -2.08 115.31 121.31 3m1r h LEU 172 Ca 0.42 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.14 3m1r h LEU 172 Cb 0.61 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.72 3m1r h LEU 172 CO -0.38 -0.23 -0.09 -0.07 -0.34 0.00 0.00 178.44 177.33 3m1r h LEU 173 N -0.38 -0.22 -0.88 2.25 4.07 -1.04 -2.60 115.31 116.50 3m1r h LEU 173 Ca -0.04 -0.22 0.18 0.00 0.08 0.00 0.00 57.88 57.88 3m1r h LEU 173 Cb 0.29 0.06 -0.11 0.00 1.08 0.00 0.00 40.66 41.99 3m1r h LEU 173 CO 0.06 0.11 0.44 0.44 -1.08 0.00 0.00 178.44 178.41 3m1r h ASP 174 N -0.58 0.48 -0.09 -0.43 3.32 -0.62 0.58 116.42 119.09 3m1r h ASP 174 Ca -0.03 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3m1r h ASP 174 Cb 0.43 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3m1r h ASP 174 CO 0.04 0.14 0.00 -0.62 -1.72 0.00 0.00 179.24 177.09 3m1r n GLU 175 N -4.93 1.34 -1.34 3.56 1.02 -0.78 -4.91 120.64 114.60 3m1r n GLU 175 Ca 0.19 -0.51 -0.13 0.00 -0.02 0.00 0.00 57.16 56.69 3m1r n GLU 175 Cb 0.53 -1.30 -0.06 0.00 -0.02 0.00 0.00 31.44 30.59 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 -0.24 -1.55 0.32 3.49 1.02 0.20 -4.79 120.64 119.08 3m1r n GLU 176 Ca 0.13 0.89 0.20 0.00 -0.02 0.00 0.00 57.16 58.36 3m1r n GLU 176 Cb 0.18 -5.19 1.07 0.00 -0.02 0.00 0.00 31.44 27.47 3m1r n GLU 176 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3m1r h ILE 177 N 0.00 0.11 -3.03 -3.67 2.04 -1.69 -3.43 117.51 107.84 3m1r h ILE 177 Ca -0.27 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.47 3m1r h ILE 177 Cb 1.09 0.91 -0.20 0.00 -0.74 0.00 0.00 36.82 37.88 3m1r h ILE 177 CO 0.40 0.00 -0.27 -0.63 0.00 0.00 0.00 178.15 177.65 3m1r s ILE 178 N -4.25 0.06 -0.16 -0.67 1.01 -1.23 -4.83 121.20 111.14 3m1r s ILE 178 Ca -0.05 -0.48 -0.09 0.00 0.00 0.00 0.00 60.65 60.04 3m1r s ILE 178 Cb 0.13 -0.63 -0.04 0.00 0.01 0.00 0.00 42.46 41.92 3m1r s ILE 178 CO 0.41 -0.26 0.14 -1.61 0.00 0.00 0.00 174.94 173.62 3m1r s GLU 179 N -1.37 3.81 0.35 2.79 2.02 -1.26 -4.54 118.70 120.49 3m1r s GLU 179 Ca -0.13 -0.16 0.11 0.00 0.02 0.00 0.00 54.97 54.81 3m1r s GLU 179 Cb -0.05 -3.30 0.89 0.00 0.10 0.00 0.00 34.13 31.77 3m1r s GLU 179 CO 0.04 0.55 1.79 0.78 0.02 0.00 0.00 175.26 178.44 3m1r h GLY 180 N 5.79 1.47 2.00 -1.39 0.00 -1.86 0.21 103.07 109.28 3m1r h GLY 180 Ca -0.48 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.56 3m1r h GLY 180 CO 0.67 -0.07 0.00 0.61 0.00 0.00 0.00 176.54 177.75 3m1r n GLN 181 N -4.68 0.10 -0.13 4.80 10.64 -1.11 -0.68 117.38 126.31 3m1r n GLN 181 Ca 0.23 0.29 0.12 0.00 -1.83 0.00 0.00 57.00 55.81 3m1r n GLN 181 Cb 0.67 -1.67 0.25 0.00 -0.86 0.00 0.00 30.24 28.63 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 -1.86 0.35 -3.74 2.61 8.25 0.72 -4.79 115.22 116.76 3m1r n HIS 182 Ca 0.03 -0.18 -0.36 0.00 -0.26 0.00 0.00 57.72 56.96 3m1r n HIS 182 Cb 0.23 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.25 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 -1.58 4.02 -0.27 2.41 2.96 0.14 -1.58 118.68 124.79 3m1r s LEU 183 Ca 0.36 0.09 0.01 0.00 -0.22 0.00 0.00 54.13 54.37 3m1r s LEU 183 Cb 0.21 -2.06 0.05 0.00 0.50 0.00 0.00 46.19 44.89 3m1r s LEU 183 CO 0.30 0.09 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.72 3m1r s ILE 184 N 0.89 2.47 -0.31 6.68 1.01 -0.21 -1.14 121.20 130.59 3m1r s ILE 184 Ca 0.07 -1.48 -0.14 0.00 0.00 0.00 0.00 60.65 59.09 3m1r s ILE 184 Cb -0.13 -2.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.90 3m1r s ILE 184 CO 0.03 -0.01 0.33 -1.10 0.00 0.00 0.00 174.94 174.19 3m1r s GLN 185 N 1.17 3.74 -0.22 2.79 -0.21 0.24 -1.23 119.66 125.95 3m1r s GLN 185 Ca -0.06 -0.29 -0.03 0.00 0.02 0.00 0.00 55.36 54.99 3m1r s GLN 185 Cb -0.19 -3.74 0.00 0.00 1.00 0.00 0.00 33.01 30.08 3m1r s GLN 185 CO -0.04 -0.40 -0.06 -0.51 -2.12 0.00 0.00 175.29 172.15 3m1r s LEU 186 N 1.97 2.85 0.00 2.90 1.43 0.02 -0.54 118.68 127.32 3m1r s LEU 186 Ca 0.11 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 3m1r s LEU 186 Cb -0.16 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.36 3m1r s LEU 186 CO 0.11 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.26 3m1r n GLY 187 N 4.75 0.84 3.64 -3.19 0.00 -0.26 -1.38 105.19 109.60 3m1r n GLY 187 Ca -0.18 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.60 0.12 -4.72 -0.61 2.08 -0.80 -4.17 119.36 109.66 3m1r n ILE 188 Ca 0.00 -0.02 -0.33 0.00 0.56 0.00 0.00 62.75 62.95 3m1r n ILE 188 Cb 0.00 -0.87 -0.12 0.00 -0.75 0.00 0.00 39.64 37.90 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 1.83 2.74 0.00 0.38 3.52 -0.76 -4.19 118.95 122.46 3m1r s ARG 189 Ca 0.92 -0.61 -0.37 0.00 -0.13 0.00 0.00 55.73 55.54 3m1r s ARG 189 Cb -1.07 -2.53 -0.16 0.00 -1.56 0.00 0.00 34.95 29.63 3m1r s ARG 189 CO 0.58 0.60 1.45 0.39 -0.81 0.00 0.00 175.30 177.51 3m1r n GLU 190 N 2.39 1.19 -1.04 5.12 -0.58 -1.26 -1.69 120.64 124.77 3m1r n GLU 190 Ca -0.18 0.43 -0.01 0.00 -0.42 0.00 0.00 57.16 56.98 3m1r n GLU 190 Cb 0.53 -2.09 -0.01 0.00 -0.57 0.00 0.00 31.44 29.30 3m1r n GLU 190 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3m1r n PHE 191 N 3.27 0.00 1.04 -0.32 3.01 -1.26 -4.87 117.46 118.33 3m1r n PHE 191 Ca 0.20 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.78 3m1r n PHE 191 Cb 0.18 -0.82 0.08 0.00 -0.01 0.00 0.00 39.48 38.91 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 -0.12 2.30 -4.18 4.37 7.64 -0.68 -5.03 113.62 117.91 3m1r n SER 192 Ca -0.01 -1.65 -0.18 0.00 1.01 0.00 0.00 58.87 58.03 3m1r n SER 192 Cb 0.18 0.26 -0.10 0.00 -1.01 0.00 0.00 64.21 63.55 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 -2.29 1.53 -0.05 6.43 0.01 -1.26 -4.77 114.94 114.54 3m1r s ASN 193 Ca 0.23 -1.48 0.05 0.00 -0.71 0.00 0.00 52.86 50.95 3m1r s ASN 193 Cb 0.19 0.26 -0.02 0.00 0.41 0.00 0.00 41.25 42.09 3m1r s ASN 193 CO 0.46 -0.80 -0.19 -0.44 -1.51 0.00 0.00 177.10 174.62 3m1r s SER 194 N -3.37 3.63 0.33 -1.22 0.01 -1.26 -5.02 113.70 106.80 3m1r s SER 194 Ca 0.36 -0.32 0.11 0.00 1.31 0.00 0.00 55.95 57.41 3m1r s SER 194 Cb 0.06 -0.78 1.01 0.00 0.21 0.00 0.00 66.02 66.53 3m1r s SER 194 CO 0.15 0.31 1.63 -0.61 0.41 0.00 0.00 173.24 175.13 3m1r h GLN 195 N 5.60 0.17 -0.16 12.44 4.15 -2.02 -0.39 115.11 134.91 3m1r h GLN 195 Ca -0.42 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 58.97 3m1r h GLN 195 Cb 1.15 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.80 3m1r h GLN 195 CO 0.49 0.12 0.02 0.00 -1.93 0.00 0.00 178.83 177.53 3m1r h ALA 196 N 1.89 0.21 -0.12 3.38 0.00 -1.99 -1.00 119.26 121.63 3m1r h ALA 196 Ca 0.70 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 55.33 3m1r h ALA 196 Cb 1.61 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 3m1r h ALA 196 CO -0.70 -0.11 -0.40 1.88 0.00 0.00 0.00 179.25 179.92 3m1r h TYR 197 N 0.03 0.30 -0.50 0.00 0.05 -1.48 0.20 116.97 115.57 3m1r h TYR 197 Ca 0.05 -0.08 -0.10 0.00 0.05 0.00 0.00 58.73 58.65 3m1r h TYR 197 Cb 0.33 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.99 3m1r h TYR 197 CO 0.02 0.62 -0.08 1.49 -1.05 0.00 0.00 178.16 179.16 3m1r h GLU 198 N 0.22 0.94 -0.22 4.88 4.81 -1.18 -1.39 114.58 122.64 3m1r h GLU 198 Ca 0.02 -0.34 -0.02 0.00 -0.13 0.00 0.00 59.36 58.89 3m1r h GLU 198 Cb 0.80 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 3m1r h GLU 198 CO 0.06 1.00 0.07 0.00 -0.73 0.00 0.00 179.01 179.42 3m1r h ALA 199 N 0.91 0.28 -0.90 2.92 0.00 -0.61 0.38 119.26 122.24 3m1r h ALA 199 Ca 0.13 -0.13 0.16 0.00 0.00 0.00 0.00 54.91 55.07 3m1r h ALA 199 Cb 0.63 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.24 3m1r h ALA 199 CO 0.04 -0.10 0.50 -0.92 0.00 0.00 0.00 179.25 178.77 3m1r h TYR 200 N 0.18 0.87 0.12 0.00 3.20 -0.59 0.32 116.97 121.08 3m1r h TYR 200 Ca 0.07 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 3m1r h TYR 200 Cb 0.22 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.24 3m1r h TYR 200 CO -0.00 0.21 -0.06 0.00 -1.64 0.00 0.00 178.16 176.67 3m1r h ALA 201 N 1.58 -0.16 0.00 1.82 0.00 -0.47 -2.82 119.26 119.22 3m1r h ALA 201 Ca 0.50 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3m1r h ALA 201 Cb 0.72 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3m1r h ALA 201 CO -0.37 -0.37 -0.03 0.87 0.00 0.00 0.00 179.25 179.35 3m1r h LYS 202 N -0.60 0.00 -0.04 0.00 1.57 0.00 -1.50 116.57 116.01 3m1r h LYS 202 Ca -0.02 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 3m1r h LYS 202 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3m1r h LYS 202 CO 0.03 0.03 -0.36 -0.22 -0.57 0.00 0.00 179.45 178.36 3m1r h LYS 203 N 0.00 0.07 -0.64 3.15 1.63 -0.26 -2.39 116.57 118.14 3m1r h LYS 203 Ca -0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3m1r h LYS 203 Cb 0.06 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 3m1r h LYS 203 CO 0.00 0.43 0.00 0.72 -3.45 0.00 0.00 179.45 177.15 3m1r n HIS 204 N -4.09 1.23 -3.89 1.91 8.25 -0.59 -4.94 115.22 113.09 3m1r n HIS 204 Ca -0.02 -0.50 -0.29 0.00 -0.26 0.00 0.00 57.72 56.66 3m1r n HIS 204 Cb 0.41 -0.19 0.02 0.00 1.12 0.00 0.00 29.99 31.36 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 1.00 -3.93 -4.80 0.41 4.13 -0.90 -3.56 115.26 107.61 3m1r n ASN 205 Ca 0.22 -0.80 -0.35 0.00 1.68 0.00 0.00 54.58 55.33 3m1r n ASN 205 Cb 0.75 -3.86 -0.05 0.00 -1.54 0.00 0.00 39.78 35.08 3m1r n ASN 205 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 3m1r s VAL 206 N -3.39 3.98 -0.71 2.41 -7.23 -1.06 -2.74 120.40 111.66 3m1r s VAL 206 Ca 0.52 1.34 -0.26 0.00 -1.81 0.00 0.00 61.98 61.77 3m1r s VAL 206 Cb -0.26 -3.61 0.04 0.00 0.56 0.00 0.00 36.38 33.11 3m1r s VAL 206 CO 0.83 -0.16 1.20 0.20 -0.31 0.00 0.00 175.10 176.87 3m1r s ASN 207 N -1.89 6.18 -0.23 4.85 0.01 -0.30 -4.81 114.94 118.75 3m1r s ASN 207 Ca 0.62 -0.53 -0.13 0.00 -0.71 0.00 0.00 52.86 52.11 3m1r s ASN 207 Cb -0.16 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 38.93 3m1r s ASN 207 CO 0.20 -1.73 0.27 -0.63 -1.51 0.00 0.00 177.10 173.71 3m1r s ILE 208 N 5.32 5.28 -0.24 0.60 1.01 -1.26 -0.59 121.20 131.32 3m1r s ILE 208 Ca 0.33 0.42 0.02 0.00 0.00 0.00 0.00 60.65 61.41 3m1r s ILE 208 Cb -0.10 -3.61 0.06 0.00 0.01 0.00 0.00 42.46 38.82 3m1r s ILE 208 CO 0.15 0.29 -0.10 -1.00 0.00 0.00 0.00 174.94 174.28 3m1r s HIS 209 N 1.26 2.90 0.00 3.97 3.76 0.30 -4.97 115.29 122.51 3m1r s HIS 209 Ca 0.13 -2.05 0.00 0.00 -0.15 0.00 0.00 55.06 52.98 3m1r s HIS 209 Cb -0.14 -1.79 0.00 0.00 1.11 0.00 0.00 32.58 31.75 3m1r s HIS 209 CO 0.06 -0.83 0.00 0.25 -0.85 0.00 0.00 174.74 173.37 3m1r n THR 210 N 4.54 0.00 -0.61 1.30 -2.24 -1.26 -1.10 114.28 114.91 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 0.43 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 3m1r n THR 210 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3m1r n ASP 212 N 0.00 0.00 0.00 3.42 2.03 -1.26 -4.58 116.55 116.16 3m1r n ASP 212 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3m1r n ASP 212 Cb 0.00 -0.32 0.00 0.00 -0.72 0.00 0.00 41.12 40.08 3m1r n ASP 212 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 3m1r n ILE 214 N -0.61 0.00 0.36 5.18 5.41 -1.26 -1.79 119.36 126.65 3m1r n ILE 214 Ca 0.00 0.00 0.14 0.00 1.00 0.00 0.00 62.75 63.89 3m1r n ILE 214 Cb 0.00 0.00 0.52 0.00 -0.71 0.00 0.00 39.64 39.45 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 0.00 0.05 0.38 2.47 -1.90 0.42 114.38 115.80 3m1r h ARG 215 Ca 0.00 0.00 -0.31 0.00 -1.26 0.00 0.00 59.98 58.41 3m1r h ARG 215 Cb 0.00 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.29 3m1r h ARG 215 CO 0.00 0.00 -1.68 -1.91 0.56 0.00 0.00 179.97 176.94 3m1r n GLU 216 N -2.65 0.65 -0.00 0.04 2.13 -0.74 -4.47 120.64 115.60 3m1r n GLU 216 Ca 0.02 0.42 -0.07 0.00 0.66 0.00 0.00 57.16 58.19 3m1r n GLU 216 Cb 0.31 -1.71 -0.13 0.00 0.27 0.00 0.00 31.44 30.18 3m1r n GLU 216 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 3m1r h LYS 217 N -0.53 0.00 0.00 5.31 3.64 -1.82 -3.51 116.57 119.66 3m1r h LYS 217 Ca -0.41 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 3m1r h LYS 217 Cb 1.64 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.46 3m1r h LYS 217 CO -0.10 0.53 0.00 0.41 -2.27 0.00 0.00 179.45 178.03 3m1r n GLY 218 N 1.50 1.00 0.07 5.01 0.00 0.15 -4.60 105.19 108.32 3m1r n GLY 218 Ca -0.13 -1.61 -0.14 0.00 0.00 0.00 0.00 46.02 44.13 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 0.05 0.20 0.99 5.85 -1.97 -1.57 115.31 118.87 3m1r h LEU 219 Ca 0.00 -0.68 -0.01 0.00 0.84 0.00 0.00 57.88 58.03 3m1r h LEU 219 Cb 0.00 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 3m1r h LEU 219 CO 0.00 0.72 -0.11 0.40 -0.34 0.00 0.00 178.44 179.12 3m1r h ILE 220 N -0.61 0.78 -0.80 4.05 1.08 -1.92 -1.39 117.51 118.69 3m1r h ILE 220 Ca -0.00 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.65 3m1r h ILE 220 Cb 0.72 0.78 -0.12 0.00 -3.07 0.00 0.00 36.82 35.13 3m1r h ILE 220 CO 0.01 0.00 0.24 -0.65 -0.69 0.00 0.00 178.15 177.05 3m1r h PRO 221 N -0.29 0.29 -0.34 2.37 0.11 -1.81 0.68 132.00 133.01 3m1r h PRO 221 Ca -0.02 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.10 3m1r h PRO 221 Cb 0.23 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.24 3m1r h PRO 221 CO 0.03 0.19 0.15 1.15 -0.21 0.00 0.00 178.00 179.31 3m1r h THR 222 N 0.30 0.95 -0.12 -1.15 2.02 -0.81 -2.69 112.91 111.40 3m1r h THR 222 Ca 0.47 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.53 3m1r h THR 222 Cb 0.83 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 3m1r h THR 222 CO -0.53 0.06 0.04 0.40 0.37 0.00 0.00 175.52 175.85 3m1r h ILE 223 N 0.32 1.18 -0.23 3.11 2.04 -0.07 -2.31 117.51 121.53 3m1r h ILE 223 Ca 0.15 -0.55 0.07 0.00 1.00 0.00 0.00 64.86 65.53 3m1r h ILE 223 Cb 0.09 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3m1r h ILE 223 CO -0.12 0.16 0.21 0.11 0.00 0.00 0.00 178.15 178.51 3m1r h LYS 224 N 0.01 0.00 0.08 2.37 1.57 -0.84 0.24 116.57 120.00 3m1r h LYS 224 Ca 0.04 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.53 3m1r h LYS 224 Cb 0.22 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3m1r h LYS 224 CO -0.00 0.00 -1.47 1.49 -0.57 0.00 0.00 179.45 178.90 3m1r h GLU 225 N 0.00 0.16 0.00 3.15 4.81 -1.12 -3.40 114.58 118.18 3m1r h GLU 225 Ca 0.11 -0.27 -0.27 0.00 -0.13 0.00 0.00 59.36 58.80 3m1r h GLU 225 Cb 0.53 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.96 3m1r h GLU 225 CO -0.00 0.99 -2.02 1.51 -0.73 0.00 0.00 179.01 178.76 3m1r n ILE 226 N -3.36 1.00 0.14 2.32 0.13 -0.86 -4.64 119.36 114.09 3m1r n ILE 226 Ca -0.14 -0.63 -0.14 0.00 -1.10 0.00 0.00 62.75 60.75 3m1r n ILE 226 Cb 1.03 -0.58 -0.08 0.00 -0.84 0.00 0.00 39.64 39.16 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 -0.28 -1.21 9.51 5.85 -0.74 -2.75 115.31 125.69 3m1r h LEU 227 Ca -0.39 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.25 3m1r h LEU 227 Cb 1.89 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.93 3m1r h LEU 227 CO 0.02 -0.02 0.56 -0.65 -0.34 0.00 0.00 178.44 178.02 3m1r h PRO 228 N -0.54 0.93 -0.97 5.25 0.11 -1.78 0.29 132.00 135.28 3m1r h PRO 228 Ca -0.03 -0.06 0.06 0.00 0.11 0.00 0.00 66.00 66.08 3m1r h PRO 228 Cb 0.40 -0.21 -0.06 0.00 0.11 0.00 0.00 31.00 31.24 3m1r h PRO 228 CO 0.05 0.61 0.62 0.28 -0.21 0.00 0.00 178.00 179.36 3m1r h VAL 229 N 0.95 1.10 -0.04 3.15 2.07 -1.79 -1.51 116.25 120.18 3m1r h VAL 229 Ca 0.37 -0.40 -0.23 0.00 0.82 0.00 0.00 66.70 67.26 3m1r h VAL 229 Cb 0.22 -0.16 0.01 0.00 -1.52 0.00 0.00 31.29 29.85 3m1r h VAL 229 CO -0.14 0.21 -0.91 0.58 0.02 0.00 0.00 177.57 177.33 3m1r h VAL 230 N 1.16 1.34 -0.13 2.57 2.07 -0.73 -3.14 116.25 119.39 3m1r h VAL 230 Ca 0.41 -2.27 0.01 0.00 0.82 0.00 0.00 66.70 65.67 3m1r h VAL 230 Cb 0.12 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 3m1r h VAL 230 CO -0.16 0.69 0.09 1.56 0.02 0.00 0.00 177.57 179.77 3m1r h GLN 231 N 0.33 0.13 0.00 1.57 4.20 -0.78 -0.92 115.11 119.64 3m1r h GLN 231 Ca -0.08 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 3m1r h GLN 231 Cb 1.54 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 29.29 3m1r h GLN 231 CO 0.17 0.09 -0.15 0.22 -0.67 0.00 0.00 178.83 178.49 3m1r h ASP 232 N 0.14 0.00 0.01 1.46 3.58 -1.23 -2.84 116.42 117.54 3m1r h ASP 232 Ca 0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.50 3m1r h ASP 232 Cb 0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.10 3m1r h ASP 232 CO -0.01 0.15 -0.34 0.29 -2.88 0.00 0.00 179.24 176.46 3m1r n LYS 233 N -4.29 1.42 -4.43 0.28 5.02 -0.38 -4.98 118.16 110.80 3m1r n LYS 233 Ca -0.02 -1.14 -0.21 0.00 -2.02 0.00 0.00 58.31 54.92 3m1r n LYS 233 Cb 0.22 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 33.66 3m1r n LYS 233 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3m1r s THR 234 N -2.36 0.73 -0.15 -0.18 -4.23 -1.01 -5.01 115.64 103.42 3m1r s THR 234 Ca 0.22 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.87 3m1r s THR 234 Cb 0.19 -2.57 -0.20 0.00 1.34 0.00 0.00 72.50 71.25 3m1r s THR 234 CO 0.50 0.00 0.07 0.47 -0.54 0.00 0.00 174.62 175.12 3m1r n ASP 235 N -0.89 1.00 -4.07 3.99 8.00 -0.48 -4.86 116.55 119.24 3m1r n ASP 235 Ca -0.02 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.40 3m1r n ASP 235 Cb 0.66 0.94 -0.10 0.00 -0.02 0.00 0.00 41.12 42.60 3m1r n ASP 235 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3m1r s PHE 236 N -2.43 0.49 0.01 1.24 0.40 -0.82 -4.85 117.98 112.01 3m1r s PHE 236 Ca -0.08 -1.02 0.06 0.00 -0.60 0.00 0.00 56.93 55.29 3m1r s PHE 236 Cb 0.05 -0.36 -0.02 0.00 0.51 0.00 0.00 43.02 43.20 3m1r s PHE 236 CO 0.67 -0.39 -0.17 0.96 0.70 0.00 0.00 175.22 176.98 3m1r s ILE 237 N -3.87 1.38 -0.09 0.64 -4.36 -1.00 0.69 121.20 114.59 3m1r s ILE 237 Ca 0.06 -0.88 0.04 0.00 -0.26 0.00 0.00 60.65 59.61 3m1r s ILE 237 Cb 0.07 -1.18 -0.01 0.00 1.25 0.00 0.00 42.46 42.60 3m1r s ILE 237 CO -0.10 0.28 -0.20 0.12 0.24 0.00 0.00 174.94 175.27 3m1r s PHE 238 N -0.57 2.60 -0.38 1.37 5.36 0.12 -1.61 117.98 124.86 3m1r s PHE 238 Ca 0.06 -0.72 -0.15 0.00 -0.96 0.00 0.00 56.93 55.16 3m1r s PHE 238 Cb -0.07 -1.69 0.01 0.00 -0.34 0.00 0.00 43.02 40.92 3m1r s PHE 238 CO 0.00 -0.22 0.33 0.42 -1.46 0.00 0.00 175.22 174.29 3m1r s ILE 239 N 0.03 5.21 -0.36 3.12 1.01 -0.75 -0.29 121.20 129.16 3m1r s ILE 239 Ca -0.08 -0.35 -0.12 0.00 0.00 0.00 0.00 60.65 60.10 3m1r s ILE 239 Cb -0.15 -3.88 0.01 0.00 0.01 0.00 0.00 42.46 38.45 3m1r s ILE 239 CO 0.05 -0.22 0.21 -0.55 0.00 0.00 0.00 174.94 174.43 3m1r s SER 240 N 1.73 5.79 -0.47 3.58 0.15 0.38 -0.93 113.70 123.93 3m1r s SER 240 Ca 0.08 -0.80 -0.13 0.00 0.70 0.00 0.00 55.95 55.80 3m1r s SER 240 Cb -0.18 -2.05 0.10 0.00 -1.71 0.00 0.00 66.02 62.18 3m1r s SER 240 CO 0.11 -0.33 0.37 -0.69 1.20 0.00 0.00 173.24 173.90 3m1r s VAL 241 N 1.61 4.74 0.00 4.45 1.01 0.87 -0.81 120.40 132.26 3m1r s VAL 241 Ca 0.04 -1.41 0.00 0.00 0.00 0.00 0.00 61.98 60.60 3m1r s VAL 241 Cb -0.18 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.24 3m1r s VAL 241 CO 0.08 -0.67 0.00 -0.67 0.00 0.00 0.00 175.10 173.83 3m1r n ASP 242 N 5.07 0.00 0.00 3.32 -0.08 -0.33 -1.08 116.55 123.46 3m1r n ASP 242 Ca -0.11 -0.61 0.00 0.00 -1.51 0.00 0.00 54.79 52.55 3m1r n ASP 242 Cb 0.42 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.88 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 -1.84 0.00 0.28 1.67 5.68 -1.26 -4.41 116.55 116.66 3m1r n ASP 244 Ca 0.00 0.00 0.16 0.00 -0.50 0.00 0.00 54.79 54.45 3m1r n ASP 244 Cb 0.00 -0.07 0.76 0.00 -1.14 0.00 0.00 41.12 40.67 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 0.26 -3.91 2.12 3.04 -1.89 -3.39 116.25 112.49 3m1r h VAL 245 Ca 0.00 -0.53 -0.47 0.00 -1.01 0.00 0.00 66.70 64.69 3m1r h VAL 245 Cb 0.00 1.41 -0.02 0.00 -2.01 0.00 0.00 31.29 30.68 3m1r h VAL 245 CO 0.00 0.07 0.35 -0.76 -1.01 0.00 0.00 177.57 176.23 3m1r s LEU 246 N -6.60 4.29 0.45 3.16 1.43 -1.26 -1.72 118.68 118.42 3m1r s LEU 246 Ca -0.01 1.85 -0.22 0.00 -1.03 0.00 0.00 54.13 54.72 3m1r s LEU 246 Cb 0.11 -4.08 -0.11 0.00 0.03 0.00 0.00 46.19 42.15 3m1r s LEU 246 CO 0.55 -0.14 0.77 -0.67 0.23 0.00 0.00 176.35 177.08 3m1r n ASP 247 N 0.39 0.11 0.03 2.29 2.03 0.08 -4.64 116.55 116.84 3m1r n ASP 247 Ca 0.03 0.93 0.11 0.00 0.52 0.00 0.00 54.79 56.38 3m1r n ASP 247 Cb 0.50 -1.24 0.56 0.00 -0.72 0.00 0.00 41.12 40.22 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 1.01 0.25 0.00 -0.67 3.07 -1.60 0.11 115.11 117.29 3m1r h GLN 248 Ca -0.43 -0.02 -0.04 0.00 0.09 0.00 0.00 58.65 58.26 3m1r h GLN 248 Cb 1.37 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 28.87 3m1r h GLN 248 CO 0.53 0.17 -0.17 0.66 0.09 0.00 0.00 178.83 180.11 3m1r h SER 249 N 0.26 0.00 0.47 0.06 4.64 -1.88 -2.83 113.55 114.27 3m1r h SER 249 Ca 0.18 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.46 3m1r h SER 249 Cb 0.39 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 3m1r h SER 249 CO -0.04 0.17 -1.56 1.41 -0.87 0.00 0.00 176.83 175.94 3m1r n HIS 250 N -4.15 0.49 -3.27 4.77 8.25 0.27 -4.66 115.22 116.92 3m1r n HIS 250 Ca -0.02 0.15 -0.25 0.00 -0.26 0.00 0.00 57.72 57.33 3m1r n HIS 250 Cb 0.24 -0.77 -0.08 0.00 1.12 0.00 0.00 29.99 30.50 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 -2.27 2.52 0.37 -1.41 0.00 -0.59 -4.78 120.51 114.34 3m1r n ALA 251 Ca -0.05 -3.20 0.14 0.00 0.00 0.00 0.00 53.44 50.33 3m1r n ALA 251 Cb 0.62 -0.80 0.55 0.00 0.00 0.00 0.00 19.45 19.82 3m1r n ALA 251 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3m1r h PRO 252 N 4.77 0.00 -0.82 0.00 0.13 -1.77 -3.18 132.00 131.13 3m1r h PRO 252 Ca 0.16 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.20 3m1r h PRO 252 Cb 0.90 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.97 3m1r h PRO 252 CO 0.41 0.00 0.12 0.41 -0.23 0.00 0.00 178.00 178.71 3m1r n GLY 253 N 0.09 2.74 3.84 1.56 0.00 -1.26 -4.64 105.19 107.52 3m1r n GLY 253 Ca 0.02 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 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 5.36 0.05 -4.44 0.00 0.11 -1.90 -3.28 132.00 127.90 3m1r h PRO 255 Ca -0.51 -0.00 -0.74 0.00 0.11 0.00 0.00 66.00 64.85 3m1r h PRO 255 Cb 1.21 -0.01 -0.21 0.00 0.11 0.00 0.00 31.00 32.10 3m1r h PRO 255 CO 0.63 0.03 0.70 0.00 -0.21 0.00 0.00 178.00 179.15 3m1r s ALA 256 N -6.20 3.90 0.14 -0.75 0.00 -1.26 -5.03 121.76 112.57 3m1r s ALA 256 Ca -0.14 -3.21 0.03 0.00 0.00 0.00 0.00 51.96 48.64 3m1r s ALA 256 Cb 0.16 -3.86 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 3m1r s ALA 256 CO 0.72 -2.64 0.23 0.96 0.00 0.00 0.00 175.76 175.04 3m1r s ILE 257 N 1.18 5.10 -0.09 0.00 -4.36 -1.24 -4.82 121.20 116.97 3m1r s ILE 257 Ca 0.31 -0.75 -0.32 0.00 -0.26 0.00 0.00 60.65 59.63 3m1r s ILE 257 Cb -0.06 -3.60 0.13 0.00 1.25 0.00 0.00 42.46 40.17 3m1r s ILE 257 CO -0.07 -0.06 1.40 -0.83 0.24 0.00 0.00 174.94 175.62 3m1r s GLY 258 N -3.09 -0.38 0.44 6.27 0.00 -1.26 -5.00 107.32 104.30 3m1r s GLY 258 Ca 0.33 0.61 -0.07 0.00 0.00 0.00 0.00 44.72 45.59 3m1r s GLY 258 CO 0.27 2.98 0.76 2.56 0.00 0.00 0.00 173.10 179.67 3m1r s PRO 259 N -2.03 3.65 0.00 2.90 0.05 -1.26 -1.68 135.00 136.63 3m1r s PRO 259 Ca 0.22 0.30 0.00 0.00 0.05 0.00 0.00 61.00 61.58 3m1r s PRO 259 Cb 0.04 -2.40 0.00 0.00 0.05 0.00 0.00 34.50 32.20 3m1r s PRO 259 CO -0.05 -0.11 0.00 0.41 0.05 0.00 0.00 177.00 177.30 3m1r n GLY 260 N -1.77 1.44 0.00 0.56 0.00 -1.26 -4.92 105.19 99.25 3m1r n GLY 260 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.91 1.98 3.87 -0.02 0.00 -1.26 -4.90 105.19 103.96 3m1r n GLY 261 Ca 0.00 -2.11 -0.31 0.00 0.00 0.00 0.00 46.02 43.61 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 3.31 0.32 0.99 1.43 -0.70 -4.23 118.68 119.80 3m1r s LEU 262 Ca 0.00 1.37 -0.02 0.00 -1.03 0.00 0.00 54.13 54.46 3m1r s LEU 262 Cb 0.00 -4.40 -0.04 0.00 0.03 0.00 0.00 46.19 41.78 3m1r s LEU 262 CO 0.00 -0.81 0.54 -0.31 0.23 0.00 0.00 176.35 176.00 3m1r s TYR 263 N -3.08 3.49 0.17 0.29 1.51 -1.26 -0.75 117.35 117.73 3m1r s TYR 263 Ca 0.54 0.47 -0.09 0.00 -1.01 0.00 0.00 57.07 56.98 3m1r s TYR 263 Cb -0.11 -1.98 0.04 0.00 -0.11 0.00 0.00 41.96 39.80 3m1r s TYR 263 CO 0.51 0.15 1.59 1.15 -1.11 0.00 0.00 175.55 177.84 3m1r h THR 264 N 1.02 1.27 -0.27 -0.71 2.02 -1.97 -2.03 112.91 112.24 3m1r h THR 264 Ca -0.49 -1.30 -0.05 0.00 0.77 0.00 0.00 66.41 65.35 3m1r h THR 264 Cb 1.20 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 3m1r h THR 264 CO 0.64 0.46 -0.04 -2.24 0.37 0.00 0.00 175.52 174.70 3m1r h ASP 265 N 0.91 0.39 -0.18 4.18 3.04 -1.99 0.33 116.42 123.09 3m1r h ASP 265 Ca 0.14 -0.07 -0.10 0.00 -3.24 0.00 0.00 57.03 53.75 3m1r h ASP 265 Cb 0.71 -0.10 -0.01 0.00 -1.04 0.00 0.00 39.33 38.88 3m1r h ASP 265 CO 0.05 0.48 -0.21 -0.08 -2.04 0.00 0.00 179.24 177.44 3m1r h GLU 266 N 0.40 0.63 0.16 4.15 4.81 -1.88 -2.19 114.58 120.66 3m1r h GLU 266 Ca 0.09 -0.24 -0.30 0.00 -0.13 0.00 0.00 59.36 58.78 3m1r h GLU 266 Cb 0.33 -0.04 0.02 0.00 0.63 0.00 0.00 28.75 29.69 3m1r h GLU 266 CO 0.01 0.80 -1.30 1.25 -0.73 0.00 0.00 179.01 179.04 3m1r h LEU 267 N 0.56 0.64 -0.53 1.64 5.85 -0.76 -3.02 115.31 119.69 3m1r h LEU 267 Ca 0.08 -0.65 0.01 0.00 0.84 0.00 0.00 57.88 58.16 3m1r h LEU 267 Cb 0.67 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 3m1r h LEU 267 CO 0.05 1.50 0.35 -0.07 -0.34 0.00 0.00 178.44 179.93 3m1r h LEU 268 N 0.14 0.60 -0.10 2.25 3.38 -0.87 -0.45 115.31 120.26 3m1r h LEU 268 Ca -0.18 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 3m1r h LEU 268 Cb 2.00 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.60 3m1r h LEU 268 CO 0.23 0.43 0.06 -0.08 0.09 0.00 0.00 178.44 179.17 3m1r h GLU 269 N 0.71 0.15 -0.97 1.13 4.81 -1.48 -0.59 114.58 118.33 3m1r h GLU 269 Ca 0.20 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 3m1r h GLU 269 Cb -0.07 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.23 3m1r h GLU 269 CO -0.05 0.18 0.64 0.00 -0.73 0.00 0.00 179.01 179.05 3m1r h ALA 270 N 0.96 1.31 -0.40 2.92 0.00 -1.37 -0.48 119.26 122.20 3m1r h ALA 270 Ca 0.04 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 3m1r h ALA 270 Cb 0.08 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3m1r h ALA 270 CO -0.01 0.64 -0.25 0.28 0.00 0.00 0.00 179.25 179.91 3m1r h VAL 271 N 1.31 1.28 -0.71 0.00 2.07 -0.74 -0.84 116.25 118.62 3m1r h VAL 271 Ca 0.36 -1.40 0.03 0.00 0.82 0.00 0.00 66.70 66.51 3m1r h VAL 271 Cb -0.14 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 3m1r h VAL 271 CO -0.08 0.47 0.44 0.50 0.02 0.00 0.00 177.57 178.92 3m1r h LYS 272 N 0.69 0.83 -0.42 1.57 3.64 -0.69 -1.13 116.57 121.06 3m1r h LYS 272 Ca 0.08 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.33 3m1r h LYS 272 Cb 0.82 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 3m1r h LYS 272 CO 0.07 0.55 -0.07 -0.92 -2.27 0.00 0.00 179.45 176.81 3m1r h TYR 273 N 0.85 0.88 -0.40 1.91 3.20 -0.70 -2.67 116.97 120.05 3m1r h TYR 273 Ca 0.29 -0.18 -0.08 0.00 3.14 0.00 0.00 58.73 61.90 3m1r h TYR 273 Cb 0.04 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 3m1r h TYR 273 CO -0.04 0.89 -0.07 0.82 -1.64 0.00 0.00 178.16 178.12 3m1r h ILE 274 N 0.61 1.24 0.00 1.81 2.04 -1.06 -3.15 117.51 119.00 3m1r h ILE 274 Ca 0.11 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 64.92 3m1r h ILE 274 Cb 0.59 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 3m1r h ILE 274 CO 0.04 0.36 0.00 0.00 0.00 0.00 0.00 178.15 178.54 3m1r n ALA 275 N -2.48 1.96 0.35 1.87 0.00 -0.44 -1.61 120.51 120.16 3m1r n ALA 275 Ca 0.02 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.50 3m1r n ALA 275 Cb 0.32 -1.32 0.13 0.00 0.00 0.00 0.00 19.45 18.59 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 -7.28 0.00 4.20 -1.48 -3.44 115.11 107.10 3m1r h GLN 276 Ca 0.00 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.24 3m1r h GLN 276 Cb 0.28 0.00 0.17 0.00 0.30 0.00 0.00 27.48 28.23 3m1r h GLN 276 CO 0.00 0.00 0.18 -0.65 -0.67 0.00 0.00 178.83 177.69 3m1r s GLN 277 N -3.24 0.59 0.18 1.46 -1.52 -0.64 -4.21 119.66 112.29 3m1r s GLN 277 Ca 0.04 0.89 -0.30 0.00 -1.95 0.00 0.00 55.36 54.04 3m1r s GLN 277 Cb 0.10 -1.73 -0.09 0.00 -0.22 0.00 0.00 33.01 31.08 3m1r s GLN 277 CO 0.72 -2.72 1.34 -2.14 -0.25 0.00 0.00 175.29 172.24 3m1r s PRO 278 N -4.78 4.36 -0.97 2.91 0.02 -1.26 -4.06 135.00 131.23 3m1r s PRO 278 Ca 0.65 2.07 -0.04 0.00 0.02 0.00 0.00 61.00 63.71 3m1r s PRO 278 Cb -0.20 -3.20 0.00 0.00 0.02 0.00 0.00 34.50 31.12 3m1r s PRO 278 CO 0.59 -0.31 0.83 0.09 -0.33 0.00 0.00 177.00 177.87 3m1r n ASN 279 N 2.93 -3.79 -4.62 2.53 4.13 -1.26 -4.66 115.26 110.52 3m1r n ASN 279 Ca 0.07 -0.43 -0.43 0.00 1.68 0.00 0.00 54.58 55.47 3m1r n ASN 279 Cb 0.43 -3.95 -0.02 0.00 -1.54 0.00 0.00 39.78 34.70 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 -3.25 3.82 -0.99 2.41 1.01 -1.26 -2.38 120.40 119.75 3m1r s VAL 280 Ca 0.24 0.89 0.25 0.00 0.00 0.00 0.00 61.98 63.36 3m1r s VAL 280 Cb -0.10 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.38 3m1r s VAL 280 CO 0.55 -0.47 1.47 0.00 0.00 0.00 0.00 175.10 176.65 3m1r n ALA 281 N 8.62 3.40 0.00 5.51 0.00 -0.63 -4.96 120.51 132.46 3m1r n ALA 281 Ca 0.18 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3m1r n ALA 281 Cb 0.46 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3m1r n ALA 281 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m1r n GLY 282 N 1.50 1.95 3.01 0.00 0.00 -1.26 -3.78 105.19 106.60 3m1r n GLY 282 Ca 0.06 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 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 0.11 -0.61 2.07 -0.51 -1.82 121.20 118.47 3m1r s ILE 283 Ca 0.00 -0.20 0.05 0.00 -1.41 0.00 0.00 60.65 59.09 3m1r s ILE 283 Cb 0.00 -0.22 -0.04 0.00 0.13 0.00 0.00 42.46 42.34 3m1r s ILE 283 CO 0.00 -0.11 -0.12 -1.83 -1.91 0.00 0.00 174.94 170.97 3m1r s GLU 284 N -0.32 0.94 -0.14 3.50 -1.05 -0.11 -0.62 118.70 120.91 3m1r s GLU 284 Ca -0.04 -1.19 -0.00 0.00 -0.15 0.00 0.00 54.97 53.59 3m1r s GLU 284 Cb -0.03 -0.73 0.03 0.00 -0.44 0.00 0.00 34.13 32.96 3m1r s GLU 284 CO 0.00 0.13 -0.10 0.42 0.95 0.00 0.00 175.26 176.67 3m1r s ILE 285 N -2.25 1.26 0.38 1.83 1.01 -0.56 -0.09 121.20 122.76 3m1r s ILE 285 Ca 0.07 -0.49 0.07 0.00 0.00 0.00 0.00 60.65 60.30 3m1r s ILE 285 Cb -0.04 -1.26 -0.07 0.00 0.01 0.00 0.00 42.46 41.10 3m1r s ILE 285 CO 0.02 0.36 -0.02 0.68 0.00 0.00 0.00 174.94 175.98 3m1r s VAL 286 N 1.61 1.95 -1.44 2.92 -7.23 -0.24 -0.84 120.40 117.13 3m1r s VAL 286 Ca 0.04 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 3m1r s VAL 286 Cb -0.13 -2.85 0.00 0.00 0.56 0.00 0.00 36.38 33.95 3m1r s VAL 286 CO -0.09 -0.07 0.00 -0.62 -0.31 0.00 0.00 175.10 174.01 3m1r n GLU 287 N -0.87 -1.14 -3.11 4.82 -0.58 -1.06 -4.58 120.64 114.11 3m1r n GLU 287 Ca -0.05 0.87 -0.39 0.00 -0.42 0.00 0.00 57.16 57.17 3m1r n GLU 287 Cb 0.66 -5.12 -0.05 0.00 -0.57 0.00 0.00 31.44 26.35 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 -2.67 5.07 -0.37 2.62 1.01 -1.26 -4.28 120.40 120.51 3m1r s VAL 288 Ca 0.00 1.29 0.01 0.00 0.00 0.00 0.00 61.98 63.28 3m1r s VAL 288 Cb 0.00 -3.98 0.11 0.00 0.00 0.00 0.00 36.38 32.52 3m1r s VAL 288 CO 0.00 0.23 0.14 -0.62 0.00 0.00 0.00 175.10 174.85 3m1r s ASP 289 N 0.86 4.07 0.63 3.32 -1.08 0.06 -4.29 116.67 120.23 3m1r s ASP 289 Ca 0.33 -2.15 0.35 0.00 -0.52 0.00 0.00 52.55 50.56 3m1r s ASP 289 Cb -0.17 -1.12 1.98 0.00 -1.46 0.00 0.00 42.92 42.15 3m1r s ASP 289 CO 0.14 -0.35 2.22 -0.65 0.52 0.00 0.00 175.17 177.05 3m1r h PRO 290 N 7.46 0.00 0.00 4.34 0.11 -1.81 0.06 132.00 142.15 3m1r h PRO 290 Ca -0.07 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 0.50 0.00 -0.01 1.79 -0.21 0.00 0.00 178.00 180.07 3m1r h THR 291 N 0.00 0.03 -0.24 -1.15 1.35 -1.92 -3.00 112.91 107.99 3m1r h THR 291 Ca 0.02 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 3m1r h THR 291 Cb 0.21 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 3m1r h THR 291 CO -0.00 0.01 0.00 0.18 -0.25 0.00 0.00 175.52 175.46 3m1r n LEU 292 N -3.11 3.08 -4.92 3.87 4.77 0.00 -5.02 117.00 115.66 3m1r n LEU 292 Ca 0.01 -1.33 -0.26 0.00 -0.03 0.00 0.00 56.01 54.40 3m1r n LEU 292 Cb 0.35 -0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.32 3m1r n LEU 292 CO 0.29 0.62 0.47 -0.62 -1.33 0.00 0.00 177.39 176.82 3m1r s ASP 293 N -1.49 5.70 -0.23 -1.43 -1.08 -1.13 -4.21 116.67 112.80 3m1r s ASP 293 Ca 0.31 0.63 -0.10 0.00 -0.52 0.00 0.00 52.55 52.87 3m1r s ASP 293 Cb 0.19 -1.71 -0.05 0.00 -1.46 0.00 0.00 42.92 39.90 3m1r s ASP 293 CO 0.27 -0.94 0.13 0.12 0.52 0.00 0.00 175.17 175.28 3m1r s PHE 294 N -2.87 3.28 0.00 -5.34 2.19 -1.26 -4.90 117.98 109.08 3m1r s PHE 294 Ca 0.52 0.14 0.00 0.00 0.33 0.00 0.00 56.93 57.92 3m1r s PHE 294 Cb -0.10 -2.23 0.00 0.00 -1.31 0.00 0.00 43.02 39.37 3m1r s PHE 294 CO 0.43 0.05 0.00 0.54 1.83 0.00 0.00 175.22 178.07 3m1r n ARG 295 N 4.20 0.00 -3.92 10.12 1.74 -1.26 -4.69 116.66 122.85 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 3.72 0.00 0.55 -4.77 -1.26 -5.02 116.67 105.89 3m1r s ASP 296 Ca 0.00 -1.12 0.00 0.00 -3.30 0.00 0.00 52.55 48.13 3m1r s ASP 296 Cb 0.00 -1.12 0.00 0.00 -1.09 0.00 0.00 42.92 40.71 3m1r s ASP 296 CO 0.00 -0.24 0.00 0.41 0.70 0.00 0.00 175.17 176.04 3m1r n THR 298 N 4.71 0.00 -0.24 2.11 -1.04 -1.26 -0.99 114.28 117.57 3m1r n THR 298 Ca -0.12 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.83 3m1r n THR 298 Cb 0.44 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 69.02 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 1.05 -0.28 8.00 0.02 -1.95 0.19 113.55 120.58 3m1r h SER 299 Ca 0.00 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 3m1r h SER 299 Cb 0.00 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 3m1r h SER 299 CO 0.00 1.00 0.09 0.03 -1.14 0.00 0.00 176.83 176.82 3m1r h ARG 300 N 1.06 0.43 -0.31 3.45 3.08 -1.39 0.10 114.38 120.80 3m1r h ARG 300 Ca 0.22 -0.09 0.07 0.00 0.07 0.00 0.00 59.98 60.25 3m1r h ARG 300 Cb 0.36 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.27 3m1r h ARG 300 CO 0.00 0.48 -0.19 0.00 -1.07 0.00 0.00 179.97 179.19 3m1r h ALA 301 N 0.93 0.01 -0.96 0.04 0.00 -1.75 -0.80 119.26 116.73 3m1r h ALA 301 Ca 0.09 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.13 3m1r h ALA 301 Cb 0.23 0.44 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 3m1r h ALA 301 CO -0.00 -0.59 0.63 0.00 0.00 0.00 0.00 179.25 179.29 3m1r h ALA 302 N 1.02 1.24 -0.47 0.00 0.00 -0.71 -1.12 119.26 119.22 3m1r h ALA 302 Ca 0.16 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3m1r h ALA 302 Cb 0.41 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3m1r h ALA 302 CO -0.40 0.56 0.16 0.00 0.00 0.00 0.00 179.25 179.57 3m1r h ALA 303 N 1.37 1.40 0.00 0.00 0.00 0.01 -1.64 119.26 120.40 3m1r h ALA 303 Ca 0.37 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 3m1r h ALA 303 Cb -0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3m1r h ALA 303 CO -0.10 0.45 -0.51 0.45 0.00 0.00 0.00 179.25 179.54 3m1r h HIS 304 N 0.67 0.00 -1.01 0.00 3.86 -0.29 -2.00 115.15 116.39 3m1r h HIS 304 Ca 0.16 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.40 3m1r h HIS 304 Cb 0.18 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.60 3m1r h HIS 304 CO 0.01 0.51 0.66 0.28 0.86 0.00 0.00 177.93 180.25 3m1r h VAL 305 N 0.00 1.20 0.13 2.45 2.07 -0.28 -1.07 116.25 120.75 3m1r h VAL 305 Ca -0.01 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 3m1r h VAL 305 Cb 0.98 -0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3m1r h VAL 305 CO 0.07 0.24 -0.06 -0.07 0.02 0.00 0.00 177.57 177.76 3m1r h LEU 306 N 1.30 -0.15 -0.67 2.57 4.07 -1.06 -1.00 115.31 120.37 3m1r h LEU 306 Ca 0.39 -0.30 0.13 0.00 0.08 0.00 0.00 57.88 58.18 3m1r h LEU 306 Cb -0.04 0.04 -0.10 0.00 1.08 0.00 0.00 40.66 41.64 3m1r h LEU 306 CO -0.11 0.24 0.15 -0.07 -1.08 0.00 0.00 178.44 177.57 3m1r h LEU 307 N -0.57 0.01 -0.86 1.67 3.38 -1.23 0.30 115.31 118.02 3m1r h LEU 307 Ca -0.02 0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 3m1r h LEU 307 Cb 0.44 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3m1r h LEU 307 CO 0.03 -0.01 -0.54 0.45 0.09 0.00 0.00 178.44 178.46 3m1r h HIS 308 N 0.27 0.11 0.14 1.13 3.86 -1.18 0.43 115.15 119.91 3m1r h HIS 308 Ca 0.36 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.53 3m1r h HIS 308 Cb 0.58 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.03 3m1r h HIS 308 CO -0.26 0.61 -0.07 0.00 0.86 0.00 0.00 177.93 179.07 3m1r h ALA 309 N 1.39 -0.19 -0.66 2.45 0.00 -0.04 -1.18 119.26 121.04 3m1r h ALA 309 Ca -0.00 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.88 3m1r h ALA 309 Cb 0.98 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 3m1r h ALA 309 CO 0.07 -0.55 0.36 -0.07 0.00 0.00 0.00 179.25 179.06 3m1r h LEU 310 N -0.30 0.52 -0.45 0.00 4.07 -0.25 -2.55 115.31 116.35 3m1r h LEU 310 Ca -0.02 0.03 0.02 0.00 0.08 0.00 0.00 57.88 58.00 3m1r h LEU 310 Cb 0.24 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 41.88 3m1r h LEU 310 CO 0.03 0.33 0.26 0.50 -1.08 0.00 0.00 178.44 178.49 3m1r h LYS 311 N 0.66 0.51 -1.82 1.13 3.64 -0.84 -1.76 116.57 118.08 3m1r h LYS 311 Ca 0.30 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3m1r h LYS 311 Cb 0.20 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3m1r h LYS 311 CO -0.19 0.34 0.00 0.41 -2.27 0.00 0.00 179.45 177.73 3m1r n GLY 312 N -1.23 0.35 0.00 5.01 0.00 -0.45 -2.04 105.19 106.84 3m1r n GLY 312 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.91 0.00 0.11 1.61 4.81 -0.66 -0.57 118.16 124.37 3m1r n LYS 314 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.49 3m1r n LYS 314 Cb 0.09 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.15 3m1r n LYS 314 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 3m1r h LEU 315 N 0.00 0.00 -9.44 3.14 4.07 -1.68 -3.48 115.31 107.92 3m1r h LEU 315 Ca 0.00 0.00 -0.61 0.00 0.08 0.00 0.00 57.88 57.35 3m1r h LEU 315 Cb 0.00 0.00 0.05 0.00 1.08 0.00 0.00 40.66 41.79 3m1r h LEU 315 CO 0.00 0.34 0.74 -1.54 -1.08 0.00 0.00 178.44 176.89 3m1r n SER 316 N -2.98 2.78 -1.05 -0.43 3.41 0.27 -4.83 113.62 110.78 3m1r n SER 316 Ca -0.02 1.09 0.00 0.00 -0.26 0.00 0.00 58.87 59.68 3m1r n SER 316 Cb 0.70 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 3m1r n SER 316 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 3m1r n PRO 317 N 3.38 0.84 0.00 4.33 -0.04 -1.26 -5.10 135.00 137.16 3m1r n PRO 317 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 3m1r n PRO 317 Cb 0.26 -1.08 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 3m1r n PRO 317 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65