#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m1r n LYS 3 N 0.00 1.48 -3.65 -1.24 2.85 -1.26 -4.28 118.16 112.06 3m1r n LYS 3 Ca 0.00 -0.57 -0.27 0.00 -1.05 0.00 0.00 58.31 56.42 3m1r n LYS 3 Cb 0.00 -1.28 -0.11 0.00 -0.65 0.00 0.00 35.03 32.99 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 -0.01 1.33 0.10 5.58 4.02 -1.26 -4.98 117.16 121.95 3m1r n TYR 4 Ca 0.05 -3.85 0.20 0.00 -0.01 0.00 0.00 57.90 54.29 3m1r n TYR 4 Cb 0.22 -0.22 0.76 0.00 -0.02 0.00 0.00 39.34 40.08 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 5.44 0.00 -0.49 -0.72 0.11 -2.08 -1.43 132.00 132.82 3m1r h PRO 5 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3m1r h PRO 5 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 3m1r h PRO 5 CO 0.56 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.54 3m1r n PHE 6 N -3.86 0.77 -3.43 0.65 3.01 -1.26 -4.89 117.46 108.44 3m1r n PHE 6 Ca 0.06 -0.54 -0.38 0.00 1.01 0.00 0.00 57.45 57.60 3m1r n PHE 6 Cb 0.54 -0.07 -0.08 0.00 -0.01 0.00 0.00 39.48 39.86 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 -1.24 4.10 0.37 4.37 2.96 -0.54 -5.09 118.68 123.62 3m1r s LEU 7 Ca 0.36 0.36 0.06 0.00 -0.22 0.00 0.00 54.13 54.68 3m1r s LEU 7 Cb 0.20 -2.41 -0.07 0.00 0.50 0.00 0.00 46.19 44.40 3m1r s LEU 7 CO 0.21 -0.10 0.03 -0.13 -1.32 0.00 0.00 176.35 175.05 3m1r s ARG 8 N 1.57 1.83 0.19 1.98 0.52 -1.26 -4.99 118.95 118.79 3m1r s ARG 8 Ca 0.16 -2.03 -0.30 0.00 -0.52 0.00 0.00 55.73 53.04 3m1r s ARG 8 Cb -0.15 -1.32 -0.09 0.00 0.52 0.00 0.00 34.95 33.91 3m1r s ARG 8 CO 0.08 -0.10 1.30 -1.83 0.02 0.00 0.00 175.30 174.77 3m1r s GLU 9 N -3.78 4.40 -0.09 3.54 -1.05 -1.26 -4.88 118.70 115.57 3m1r s GLU 9 Ca 0.36 2.03 -0.35 0.00 -0.15 0.00 0.00 54.97 56.86 3m1r s GLU 9 Cb 0.09 -3.20 -0.17 0.00 -0.44 0.00 0.00 34.13 30.42 3m1r s GLU 9 CO 0.17 -0.24 0.99 0.00 0.95 0.00 0.00 175.26 177.13 3m1r n ALA 10 N 2.65 -2.71 -0.87 -0.84 0.00 -1.26 -1.64 120.51 115.84 3m1r n ALA 10 Ca 0.06 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.98 3m1r n ALA 10 Cb 0.43 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 1.70 0.54 3.72 0.00 0.00 -1.26 -5.02 105.19 104.87 3m1r n GLY 11 Ca 0.19 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 3m1r n GLY 11 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3m1r n SER 12 N 0.37 2.06 -4.94 1.61 7.64 -0.65 -5.04 113.62 114.68 3m1r n SER 12 Ca 0.00 0.87 -0.19 0.00 1.01 0.00 0.00 58.87 60.55 3m1r n SER 12 Cb 0.00 -1.54 -0.01 0.00 -1.01 0.00 0.00 64.21 61.65 3m1r n SER 12 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3m1r s SER 13 N -1.24 5.27 0.02 6.43 0.15 -1.26 -5.04 113.70 118.02 3m1r s SER 13 Ca 0.79 -0.65 -0.33 0.00 0.70 0.00 0.00 55.95 56.46 3m1r s SER 13 Cb -0.40 -0.48 -0.11 0.00 -1.71 0.00 0.00 66.02 63.32 3m1r s SER 13 CO 0.43 -0.77 1.85 0.33 1.20 0.00 0.00 173.24 176.27 3m1r n PHE 14 N -1.73 2.42 -3.56 3.44 7.35 -1.26 -4.95 117.46 119.16 3m1r n PHE 14 Ca 0.06 -0.07 -0.38 0.00 -0.76 0.00 0.00 57.45 56.30 3m1r n PHE 14 Cb 0.61 -2.69 -0.10 0.00 0.35 0.00 0.00 39.48 37.65 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 3.40 4.02 -0.27 -4.13 2.20 -1.26 -5.05 119.74 118.64 3m1r s LYS 15 Ca 0.88 -0.19 -0.04 0.00 -0.36 0.00 0.00 55.97 56.26 3m1r s LYS 15 Cb -0.60 -3.61 0.02 0.00 -1.51 0.00 0.00 37.83 32.13 3m1r s LYS 15 CO 0.45 -0.11 0.01 0.34 -0.36 0.00 0.00 175.35 175.67 3m1r s ASP 16 N 1.45 4.72 0.45 1.43 -1.08 -1.26 -5.00 116.67 117.39 3m1r s ASP 16 Ca 0.10 -0.86 0.14 0.00 -0.52 0.00 0.00 52.55 51.41 3m1r s ASP 16 Cb -0.15 -1.76 1.05 0.00 -1.46 0.00 0.00 42.92 40.60 3m1r s ASP 16 CO 0.08 -0.17 2.01 0.03 0.52 0.00 0.00 175.17 177.65 3m1r h ARG 17 N 8.10 0.35 -0.16 4.34 3.08 -2.05 -1.45 114.38 126.60 3m1r h ARG 17 Ca -0.31 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.72 3m1r h ARG 17 Cb 1.11 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.08 3m1r h ARG 17 CO 0.58 0.23 0.00 -0.25 -1.07 0.00 0.00 179.97 179.46 3m1r n ASP 18 N -4.47 1.12 -4.28 7.04 9.92 -1.26 -4.85 116.55 119.77 3m1r n ASP 18 Ca 0.07 -1.77 -0.30 0.00 -0.53 0.00 0.00 54.79 52.27 3m1r n ASP 18 Cb 0.30 -0.10 -0.16 0.00 -0.64 0.00 0.00 41.12 40.52 3m1r n ASP 18 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3m1r s VAL 19 N -1.80 1.93 -0.27 2.53 1.01 -0.55 -5.10 120.40 118.15 3m1r s VAL 19 Ca 0.24 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 61.20 3m1r s VAL 19 Cb 0.12 -1.60 0.07 0.00 0.00 0.00 0.00 36.38 34.97 3m1r s VAL 19 CO 0.19 0.55 -0.03 0.28 0.00 0.00 0.00 175.10 176.08 3m1r s THR 20 N -0.55 1.81 0.00 3.92 -1.32 -1.26 -4.83 115.64 113.41 3m1r s THR 20 Ca 0.09 -1.60 0.00 0.00 -1.21 0.00 0.00 61.69 58.96 3m1r s THR 20 Cb -0.10 -2.12 0.00 0.00 -1.51 0.00 0.00 72.50 68.78 3m1r s THR 20 CO -0.01 -0.24 0.00 0.29 -2.21 0.00 0.00 174.62 172.45 3m1r n LYS 21 N 4.53 0.00 0.00 7.08 5.02 -1.26 -2.31 118.16 131.22 3m1r n LYS 21 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 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 0.07 4.39 3.41 -0.78 -3.42 113.62 117.28 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 0.44 0.00 -0.26 0.00 0.00 64.21 64.39 3m1r n SER 23 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3m1r n ASP 24 N 0.00 0.56 -0.00 4.04 8.00 -1.26 -3.95 116.55 123.93 3m1r n ASP 24 Ca 0.00 0.48 0.03 0.00 0.71 0.00 0.00 54.79 56.01 3m1r n ASP 24 Cb 0.00 -0.59 -0.05 0.00 -0.02 0.00 0.00 41.12 40.47 3m1r n ASP 24 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3m1r n LEU 25 N -2.00 0.02 -4.73 0.64 4.77 -1.22 -4.98 117.00 109.50 3m1r n LEU 25 Ca 0.06 -0.04 -0.41 0.00 -0.03 0.00 0.00 56.01 55.59 3m1r n LEU 25 Cb 0.40 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.45 3m1r n LEU 25 CO 0.30 0.00 0.61 -0.63 -1.33 0.00 0.00 177.39 176.35 3m1r s ILE 26 N -2.35 4.68 -0.01 -0.08 1.01 -1.25 -1.04 121.20 122.15 3m1r s ILE 26 Ca -0.02 1.93 0.01 0.00 0.00 0.00 0.00 60.65 62.58 3m1r s ILE 26 Cb 0.04 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.25 3m1r s ILE 26 CO 0.25 0.28 -0.05 0.00 0.00 0.00 0.00 174.94 175.43 3m1r s ALA 27 N 0.29 0.48 0.39 9.38 0.00 -0.54 -4.91 121.76 126.84 3m1r s ALA 27 Ca 0.46 -0.16 -0.27 0.00 0.00 0.00 0.00 51.96 51.99 3m1r s ALA 27 Cb -0.22 -0.19 -0.09 0.00 0.00 0.00 0.00 23.12 22.62 3m1r s ALA 27 CO 0.27 0.07 1.34 -0.08 0.00 0.00 0.00 175.76 177.36 3m1r s THR 28 N 0.18 2.53 0.20 0.00 -1.32 -1.26 -0.76 115.64 115.20 3m1r s THR 28 Ca -0.02 0.49 -0.30 0.00 -1.21 0.00 0.00 61.69 60.65 3m1r s THR 28 Cb -0.06 -3.30 -0.09 0.00 -1.51 0.00 0.00 72.50 67.54 3m1r s THR 28 CO -0.00 0.09 1.40 0.86 -2.21 0.00 0.00 174.62 174.76 3m1r s TRP 29 N -1.21 3.15 -1.64 9.09 -0.00 -0.43 -4.77 118.94 123.13 3m1r s TRP 29 Ca 0.55 1.04 0.14 0.00 -0.00 0.00 0.00 56.10 57.82 3m1r s TRP 29 Cb -0.40 -3.73 0.08 0.00 -0.00 0.00 0.00 33.47 29.42 3m1r s TRP 29 CO 0.52 -2.42 0.90 -0.40 -0.00 0.00 0.00 176.95 175.55 3m1r n ASP 30 N 2.93 1.98 0.00 5.86 3.85 -1.26 -4.96 116.55 124.94 3m1r n ASP 30 Ca 0.08 -1.49 0.00 0.00 -0.71 0.00 0.00 54.79 52.67 3m1r n ASP 30 Cb 0.41 0.15 0.00 0.00 -1.35 0.00 0.00 41.12 40.33 3m1r n ASP 30 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3m1r n GLY 31 N 0.89 0.56 3.60 6.12 0.00 -1.26 -5.08 105.19 110.02 3m1r n GLY 31 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 3m1r n GLY 31 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3m1r s GLN 32 N -0.89 -0.19 0.32 1.61 -0.21 -1.26 -4.96 119.66 114.07 3m1r s GLN 32 Ca 0.00 0.59 -0.29 0.00 0.02 0.00 0.00 55.36 55.68 3m1r s GLN 32 Cb 0.00 -1.66 -0.10 0.00 1.00 0.00 0.00 33.01 32.25 3m1r s GLN 32 CO 0.00 -3.17 1.38 0.34 -2.12 0.00 0.00 175.29 171.71 3m1r s ASP 33 N -3.11 6.66 -0.39 5.90 2.15 -1.26 -4.98 116.67 121.63 3m1r s ASP 33 Ca 0.67 2.76 -0.14 0.00 0.43 0.00 0.00 52.55 56.26 3m1r s ASP 33 Cb -0.21 -2.65 0.01 0.00 -0.30 0.00 0.00 42.92 39.78 3m1r s ASP 33 CO 0.60 -0.64 0.27 -0.63 -0.17 0.00 0.00 175.17 174.60 3m1r s ILE 34 N -0.85 5.15 -0.20 4.11 1.01 -1.26 -5.05 121.20 124.11 3m1r s ILE 34 Ca 0.52 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.58 3m1r s ILE 34 Cb -0.42 -3.81 0.01 0.00 0.01 0.00 0.00 42.46 38.25 3m1r s ILE 34 CO 0.52 -0.22 -0.12 -0.54 0.00 0.00 0.00 174.94 174.58 3m1r s LYS 35 N 1.67 3.13 0.41 2.79 3.01 -1.26 -3.31 119.74 126.18 3m1r s LYS 35 Ca 0.05 -0.76 0.00 0.00 -1.01 0.00 0.00 55.97 54.25 3m1r s LYS 35 Cb -0.19 -2.78 0.00 0.00 -1.01 0.00 0.00 37.83 33.85 3m1r s LYS 35 CO 0.10 -0.22 0.00 0.41 0.51 0.00 0.00 175.35 176.14 3m1r n GLY 36 N 4.70 -1.80 3.75 -3.33 0.00 -0.31 -4.95 105.19 103.24 3m1r n GLY 36 Ca -0.19 -1.84 -0.37 0.00 0.00 0.00 0.00 46.02 43.61 3m1r n GLY 36 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3m1r s PRO 37 N 0.00 2.92 -0.17 1.61 0.04 -1.26 -1.66 135.00 136.48 3m1r s PRO 37 Ca 0.00 2.01 -0.20 0.00 0.04 0.00 0.00 61.00 62.85 3m1r s PRO 37 Cb 0.00 -2.01 0.05 0.00 0.04 0.00 0.00 34.50 32.58 3m1r s PRO 37 CO 0.00 -1.30 0.54 0.00 0.04 0.00 0.00 177.00 176.28 3m1r s ALA 38 N -1.45 -1.33 0.27 8.56 0.00 -1.05 -4.45 121.76 122.30 3m1r s ALA 38 Ca 0.77 1.39 -0.29 0.00 0.00 0.00 0.00 51.96 53.84 3m1r s ALA 38 Cb -0.35 -0.70 -0.09 0.00 0.00 0.00 0.00 23.12 21.97 3m1r s ALA 38 CO 0.39 -0.27 0.95 -0.51 0.00 0.00 0.00 175.76 176.32 3m1r s LEU 39 N -0.02 4.55 -0.01 0.00 1.43 -0.17 -1.79 118.68 122.67 3m1r s LEU 39 Ca -0.02 1.94 0.00 0.00 -1.03 0.00 0.00 54.13 55.02 3m1r s LEU 39 Cb -0.04 -3.73 0.01 0.00 0.03 0.00 0.00 46.19 42.46 3m1r s LEU 39 CO 0.02 0.07 -0.00 -0.51 0.23 0.00 0.00 176.35 176.16 3m1r s ILE 40 N -1.30 0.05 0.02 -0.59 2.07 -0.73 -0.23 121.20 120.48 3m1r s ILE 40 Ca 0.44 0.02 -0.00 0.00 -1.41 0.00 0.00 60.65 59.70 3m1r s ILE 40 Cb -0.24 -0.08 -0.04 0.00 0.13 0.00 0.00 42.46 42.23 3m1r s ILE 40 CO 0.30 0.04 0.13 -0.83 -1.91 0.00 0.00 174.94 172.68 3m1r s GLY 41 N 0.24 2.10 -0.43 1.50 0.00 0.04 -0.86 107.32 109.90 3m1r s GLY 41 Ca -0.02 -0.86 0.07 0.00 0.00 0.00 0.00 44.72 43.91 3m1r s GLY 41 CO -0.01 -0.78 0.50 -0.62 0.00 0.00 0.00 173.10 172.19 3m1r n VAL 42 N 0.80 -0.46 -1.12 1.40 0.31 0.56 -0.98 118.33 118.84 3m1r n VAL 42 Ca -0.10 -4.01 -0.34 0.00 -0.01 0.00 0.00 64.34 59.88 3m1r n VAL 42 Cb 0.52 -1.90 -0.03 0.00 -0.91 0.00 0.00 33.84 31.52 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 1.73 2.45 -4.11 5.55 -0.04 -1.26 -3.49 135.00 135.84 3m1r n PRO 43 Ca 0.24 -1.90 -0.34 0.00 -0.04 0.00 0.00 63.50 61.46 3m1r n PRO 43 Cb 0.50 -2.77 -0.15 0.00 -0.04 0.00 0.00 33.50 31.04 3m1r n PRO 43 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3m1r s LEU 44 N 0.70 2.52 0.00 1.53 2.96 -1.26 -4.62 118.68 120.51 3m1r s LEU 44 Ca 0.52 -0.50 0.00 0.00 -0.22 0.00 0.00 54.13 53.92 3m1r s LEU 44 Cb 0.14 -1.61 0.00 0.00 0.50 0.00 0.00 46.19 45.22 3m1r s LEU 44 CO -0.02 0.01 0.10 -1.54 -1.32 0.00 0.00 176.35 173.58 3m1r n SER 45 N 4.58 0.00 0.16 3.68 3.41 -1.26 -0.83 113.62 123.36 3m1r n SER 45 Ca -0.19 -1.00 0.13 0.00 -0.26 0.00 0.00 58.87 57.55 3m1r n SER 45 Cb 0.51 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.91 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 1.57 -1.93 -2.26 116.57 118.28 3m1r h LYS 46 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3m1r h LYS 46 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3m1r h LYS 46 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.75 3m1r n SER 47 N -2.51 0.00 -4.74 0.86 3.41 -1.26 -4.81 113.62 104.56 3m1r n SER 47 Ca 0.03 -0.54 -0.41 0.00 -0.26 0.00 0.00 58.87 57.69 3m1r n SER 47 Cb 0.35 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 64.19 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 -2.13 7.46 0.07 4.04 0.01 -0.85 -1.58 113.70 120.72 3m1r s SER 48 Ca 0.30 1.99 -0.21 0.00 1.31 0.00 0.00 55.95 59.34 3m1r s SER 48 Cb 0.15 -2.61 -0.12 0.00 0.21 0.00 0.00 66.02 63.66 3m1r s SER 48 CO 0.27 -0.04 1.60 0.40 0.41 0.00 0.00 173.24 175.88 3m1r h ILE 49 N 3.51 1.16 -3.35 1.44 2.04 -1.89 -3.43 117.51 116.99 3m1r h ILE 49 Ca -0.45 -0.50 -0.55 0.00 1.00 0.00 0.00 64.86 64.37 3m1r h ILE 49 Cb 1.21 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 38.51 3m1r h ILE 49 CO 0.70 0.15 -0.12 -0.44 0.00 0.00 0.00 178.15 178.43 3m1r s SER 50 N -5.54 6.69 0.15 1.72 0.01 -1.26 -5.02 113.70 110.45 3m1r s SER 50 Ca -0.14 0.95 -0.34 0.00 1.31 0.00 0.00 55.95 57.73 3m1r s SER 50 Cb 0.06 -2.24 -0.14 0.00 0.21 0.00 0.00 66.02 63.91 3m1r s SER 50 CO 0.69 0.02 1.54 1.57 0.41 0.00 0.00 173.24 177.47 3m1r n HIS 51 N 0.31 2.14 -3.77 2.43 -0.00 -1.26 -4.95 115.22 110.11 3m1r n HIS 51 Ca -0.02 0.33 -0.13 0.00 0.46 0.00 0.00 57.72 58.36 3m1r n HIS 51 Cb 0.52 -2.51 -0.11 0.00 -0.12 0.00 0.00 29.99 27.77 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 0.86 -0.28 -0.35 0.26 0.15 -1.26 -4.99 113.70 108.09 3m1r s SER 52 Ca 0.80 0.55 0.08 0.00 0.70 0.00 0.00 55.95 58.08 3m1r s SER 52 Cb -0.73 0.54 0.65 0.00 -1.71 0.00 0.00 66.02 64.77 3m1r s SER 52 CO 0.40 -0.10 1.73 0.61 1.20 0.00 0.00 173.24 177.07 3m1r n GLY 53 N 3.06 4.28 0.16 9.45 0.00 -1.26 -4.62 105.19 116.26 3m1r n GLY 53 Ca -0.14 -1.09 0.11 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.76 1.10 0.33 4.61 0.00 -1.26 -0.77 120.51 123.77 3m1r n ALA 54 Ca 0.44 0.19 0.15 0.00 0.00 0.00 0.00 53.44 54.21 3m1r n ALA 54 Cb 1.36 -1.32 0.62 0.00 0.00 0.00 0.00 19.45 20.11 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 0.40 0.00 4.64 -1.82 0.06 113.55 116.83 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 -0.28 0.49 -0.87 0.00 0.00 176.83 176.17 3m1r n PHE 56 N -2.66 0.00 -0.17 4.77 3.01 0.05 -4.37 117.46 118.09 3m1r n PHE 56 Ca 0.01 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.37 3m1r n PHE 56 Cb 0.25 -0.20 0.03 0.00 -0.01 0.00 0.00 39.48 39.54 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 3.41 0.77 -0.86 4.37 0.00 -1.47 -2.07 119.26 123.41 3m1r h ALA 57 Ca 0.00 -0.36 0.09 0.00 0.00 0.00 0.00 54.91 54.64 3m1r h ALA 57 Cb 0.47 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 3m1r h ALA 57 CO 0.00 0.67 0.51 -1.35 0.00 0.00 0.00 179.25 179.08 3m1r h PRO 58 N 0.88 0.83 0.35 0.00 0.11 -1.75 0.35 132.00 132.79 3m1r h PRO 58 Ca 0.13 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.17 3m1r h PRO 58 Cb 0.70 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.62 3m1r h PRO 58 CO 0.05 0.55 -0.17 0.78 -0.21 0.00 0.00 178.00 179.00 3m1r h GLY 59 N 0.86 -0.50 1.50 -0.55 0.00 -1.79 -1.23 103.07 101.35 3m1r h GLY 59 Ca 0.41 0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.85 3m1r h GLY 59 CO -0.23 -0.18 -0.09 -0.91 0.00 0.00 0.00 176.54 175.13 3m1r h THR 60 N -0.56 1.24 -0.35 4.70 1.35 -0.92 -1.61 112.91 116.76 3m1r h THR 60 Ca -0.05 -1.03 -0.07 0.00 -0.55 0.00 0.00 66.41 64.71 3m1r h THR 60 Cb 0.42 1.06 -0.01 0.00 -1.73 0.00 0.00 68.15 67.89 3m1r h THR 60 CO 0.08 0.35 -0.07 0.40 -0.25 0.00 0.00 175.52 176.03 3m1r h ILE 61 N 0.56 1.28 -0.44 6.82 2.04 -0.32 -1.65 117.51 125.80 3m1r h ILE 61 Ca 0.11 -1.12 0.08 0.00 1.00 0.00 0.00 64.86 64.93 3m1r h ILE 61 Cb 0.49 1.29 -0.07 0.00 -0.74 0.00 0.00 36.82 37.79 3m1r h ILE 61 CO 0.03 0.37 -0.03 0.03 0.00 0.00 0.00 178.15 178.55 3m1r h ARG 62 N 0.45 0.08 -0.15 2.37 3.08 -1.08 0.13 114.38 119.26 3m1r h ARG 62 Ca 0.09 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3m1r h ARG 62 Cb 0.57 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 3m1r h ARG 62 CO 0.03 0.05 0.10 0.37 -1.07 0.00 0.00 179.97 179.45 3m1r h GLN 63 N 0.08 0.20 -0.43 0.04 4.15 -1.12 0.12 115.11 118.15 3m1r h GLN 63 Ca 0.22 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.55 3m1r h GLN 63 Cb 0.32 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 3m1r h GLN 63 CO -0.39 0.15 -0.02 0.00 -1.93 0.00 0.00 178.83 176.64 3m1r h ALA 64 N 1.04 1.16 -0.25 3.38 0.00 -1.10 -2.30 119.26 121.20 3m1r h ALA 64 Ca 0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3m1r h ALA 64 Cb -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3m1r h ALA 64 CO -0.01 0.54 0.06 1.25 0.00 0.00 0.00 179.25 181.09 3m1r h LEU 65 N 0.66 0.38 -1.30 0.00 5.85 -0.34 -3.14 115.31 117.41 3m1r h LEU 65 Ca 0.13 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 3m1r h LEU 65 Cb 0.44 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3m1r h LEU 65 CO 0.02 0.51 -0.09 0.11 -0.34 0.00 0.00 178.44 178.65 3m1r h LYS 66 N 0.22 0.36 -0.00 1.25 1.57 -0.54 -1.53 116.57 117.90 3m1r h LYS 66 Ca 0.08 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3m1r h LYS 66 Cb 0.29 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3m1r h LYS 66 CO 0.00 0.47 -0.02 0.72 -0.57 0.00 0.00 179.45 180.04 3m1r n HIS 67 N -4.26 0.00 -3.04 -1.35 8.25 -0.89 -1.87 115.22 112.06 3m1r n HIS 67 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.15 3m1r n HIS 67 Cb 0.27 -0.06 -0.04 0.00 1.12 0.00 0.00 29.99 31.28 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 -2.15 6.59 0.41 0.41 0.01 -0.58 -5.03 113.70 113.37 3m1r s SER 68 Ca 0.40 1.10 -0.26 0.00 1.31 0.00 0.00 55.95 58.51 3m1r s SER 68 Cb 0.21 -2.31 -0.09 0.00 0.21 0.00 0.00 66.02 64.05 3m1r s SER 68 CO 0.39 -0.29 1.29 -0.55 0.41 0.00 0.00 173.24 174.49 3m1r s SER 69 N -2.84 6.32 0.00 2.44 0.15 -1.26 -4.43 113.70 114.08 3m1r s SER 69 Ca 0.51 2.62 0.26 0.00 0.70 0.00 0.00 55.95 60.05 3m1r s SER 69 Cb -0.10 -2.64 0.75 0.00 -1.71 0.00 0.00 66.02 62.32 3m1r s SER 69 CO 0.26 -0.84 1.56 0.00 1.20 0.00 0.00 173.24 175.42 3m1r n ALA 70 N 0.11 3.14 -2.67 5.45 0.00 -0.98 -4.91 120.51 120.65 3m1r n ALA 70 Ca 0.04 -0.38 -0.40 0.00 0.00 0.00 0.00 53.44 52.70 3m1r n ALA 70 Cb 0.44 -1.15 -0.06 0.00 0.00 0.00 0.00 19.45 18.68 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 -2.60 3.39 -0.39 0.00 5.04 -1.26 -1.34 117.35 120.19 3m1r s TYR 71 Ca 0.22 0.87 -0.16 0.00 -2.44 0.00 0.00 57.07 55.56 3m1r s TYR 71 Cb 0.19 -2.73 0.01 0.00 0.35 0.00 0.00 41.96 39.78 3m1r s TYR 71 CO 0.55 -0.11 0.38 0.45 -1.34 0.00 0.00 175.55 175.48 3m1r s SER 72 N 1.13 6.17 0.44 4.32 0.15 -0.78 -4.94 113.70 120.18 3m1r s SER 72 Ca 0.27 -0.53 0.11 0.00 0.70 0.00 0.00 55.95 56.50 3m1r s SER 72 Cb -0.16 -2.20 1.00 0.00 -1.71 0.00 0.00 66.02 62.95 3m1r s SER 72 CO 0.10 -0.45 2.07 0.00 1.20 0.00 0.00 173.24 176.16 3m1r h ALA 73 N 8.60 1.85 -0.37 5.45 0.00 -1.96 0.29 119.26 133.12 3m1r h ALA 73 Ca -0.28 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 3m1r h ALA 73 Cb 1.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3m1r h ALA 73 CO 0.74 0.12 -0.35 1.49 0.00 0.00 0.00 179.25 181.24 3m1r h GLU 74 N 0.38 0.89 0.00 0.00 4.81 -1.93 -3.10 114.58 115.63 3m1r h GLU 74 Ca 0.14 -0.47 -0.07 0.00 -0.13 0.00 0.00 59.36 58.83 3m1r h GLU 74 Cb 0.07 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 3m1r h GLU 74 CO -0.03 1.11 -0.41 -0.07 -0.73 0.00 0.00 179.01 178.88 3m1r h LEU 75 N 0.70 0.00 0.43 1.64 4.07 -1.85 -3.47 115.31 116.82 3m1r h LEU 75 Ca 0.06 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.84 3m1r h LEU 75 Cb 0.94 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.61 3m1r h LEU 75 CO 0.09 0.32 -0.17 0.61 -1.08 0.00 0.00 178.44 178.21 3m1r n GLY 76 N 1.19 1.04 3.70 0.83 0.00 0.99 -4.96 105.19 107.97 3m1r n GLY 76 Ca 0.02 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.57 1.89 0.22 1.61 -1.05 -1.20 -5.01 118.70 112.60 3m1r s GLU 77 Ca 0.00 -1.36 -0.29 0.00 -0.15 0.00 0.00 54.97 53.17 3m1r s GLU 77 Cb 0.00 0.55 -0.09 0.00 -0.44 0.00 0.00 34.13 34.15 3m1r s GLU 77 CO 0.00 -0.84 0.92 -1.01 0.95 0.00 0.00 175.26 175.27 3m1r s HIS 78 N -3.26 3.96 -0.91 4.83 3.76 -1.26 -1.88 115.29 120.54 3m1r s HIS 78 Ca 0.19 1.86 0.11 0.00 -0.15 0.00 0.00 55.06 57.08 3m1r s HIS 78 Cb -0.03 -2.95 0.48 0.00 1.11 0.00 0.00 32.58 31.19 3m1r s HIS 78 CO 0.12 0.45 1.35 1.33 -0.85 0.00 0.00 174.74 177.13 3m1r n VAL 79 N 1.62 1.32 -3.22 -0.90 0.24 -0.45 -4.00 118.33 112.93 3m1r n VAL 79 Ca -0.02 0.36 0.03 0.00 -2.04 0.00 0.00 64.34 62.67 3m1r n VAL 79 Cb 0.47 -1.22 -0.01 0.00 -1.47 0.00 0.00 33.84 31.61 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 -3.06 -0.96 -1.78 3.34 1.01 -1.26 -4.71 120.40 112.98 3m1r s VAL 80 Ca 0.04 0.00 0.15 0.00 0.00 0.00 0.00 61.98 62.17 3m1r s VAL 80 Cb 0.06 -1.00 0.10 0.00 0.00 0.00 0.00 36.38 35.55 3m1r s VAL 80 CO 0.19 0.00 0.95 -0.24 0.00 0.00 0.00 175.10 175.99 3m1r n SER 81 N 5.43 2.15 0.00 3.32 2.88 -1.26 -4.78 113.62 121.36 3m1r n SER 81 Ca -0.03 -1.57 0.00 0.00 -1.33 0.00 0.00 58.87 55.94 3m1r n SER 81 Cb 0.51 0.05 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 3m1r n SER 81 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 3m1r n GLU 82 N 0.72 0.00 -3.57 -1.46 0.00 -1.26 -5.12 120.64 109.96 3m1r n GLU 82 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 57.13 3m1r n GLU 82 Cb 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.77 3m1r n GLU 82 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.13 176.65 3m1r s LEU 83 N 0.00 -0.04 -0.25 -1.84 0.05 -1.26 -4.92 118.68 110.41 3m1r s LEU 83 Ca 0.00 -0.22 0.00 0.00 0.05 0.00 0.00 54.13 53.97 3m1r s LEU 83 Cb 0.00 2.20 0.07 0.00 -2.05 0.00 0.00 46.19 46.41 3m1r s LEU 83 CO 0.00 -0.93 -0.01 -0.22 -0.55 0.00 0.00 176.35 174.63 3m1r s LEU 84 N -2.79 2.60 0.49 1.48 2.96 -0.20 -5.01 118.68 118.20 3m1r s LEU 84 Ca 0.03 -1.30 -0.23 0.00 -0.22 0.00 0.00 54.13 52.41 3m1r s LEU 84 Cb 0.00 -1.12 -0.07 0.00 0.50 0.00 0.00 46.19 45.51 3m1r s LEU 84 CO -0.11 -0.28 1.25 -0.31 -1.32 0.00 0.00 176.35 175.58 3m1r s TYR 85 N 1.42 2.66 -0.30 5.38 2.02 -1.26 -1.47 117.35 125.79 3m1r s TYR 85 Ca -0.02 1.47 -0.04 0.00 -0.37 0.00 0.00 57.07 58.12 3m1r s TYR 85 Cb -0.18 -3.55 0.04 0.00 -0.40 0.00 0.00 41.96 37.86 3m1r s TYR 85 CO -0.09 -2.06 0.03 0.34 -1.57 0.00 0.00 175.55 172.20 3m1r s ASP 86 N -1.16 4.96 0.39 2.29 -1.08 0.07 -1.00 116.67 121.13 3m1r s ASP 86 Ca 0.66 -1.13 0.28 0.00 -0.52 0.00 0.00 52.55 51.84 3m1r s ASP 86 Cb -0.34 -1.77 1.12 0.00 -1.46 0.00 0.00 42.92 40.48 3m1r s ASP 86 CO 0.40 -0.26 1.83 -0.07 0.52 0.00 0.00 175.17 177.60 3m1r h LEU 87 N 8.08 0.00 0.00 -1.34 4.07 -0.92 -1.15 115.31 124.05 3m1r h LEU 87 Ca -0.24 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.72 3m1r h LEU 87 Cb 1.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.82 3m1r h LEU 87 CO 0.56 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.53 3m1r n GLY 88 N 0.13 -1.05 3.57 0.83 0.00 -1.26 -4.82 105.19 102.59 3m1r n GLY 88 Ca 0.02 -2.12 -0.30 0.00 0.00 0.00 0.00 46.02 43.62 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 4.35 0.18 1.61 1.01 -1.26 -0.78 116.67 117.78 3m1r s ASP 89 Ca 0.00 -0.39 -0.30 0.00 0.71 0.00 0.00 52.55 52.57 3m1r s ASP 89 Cb 0.00 -0.82 -0.08 0.00 1.01 0.00 0.00 42.92 43.04 3m1r s ASP 89 CO 0.00 0.18 0.97 -0.63 0.21 0.00 0.00 175.17 175.90 3m1r s ILE 90 N -1.19 4.22 0.04 0.77 1.01 -0.15 -4.91 121.20 120.98 3m1r s ILE 90 Ca 0.21 2.02 -0.30 0.00 0.00 0.00 0.00 60.65 62.58 3m1r s ILE 90 Cb -0.11 -4.29 -0.07 0.00 0.01 0.00 0.00 42.46 38.00 3m1r s ILE 90 CO 0.13 0.40 1.53 -0.62 0.00 0.00 0.00 174.94 176.38 3m1r s ASP 91 N -0.57 6.72 -0.22 3.58 2.15 -1.26 -4.56 116.67 122.51 3m1r s ASP 91 Ca 0.44 2.31 -0.03 0.00 0.43 0.00 0.00 52.55 55.70 3m1r s ASP 91 Cb -0.25 -2.56 -0.00 0.00 -0.30 0.00 0.00 42.92 39.80 3m1r s ASP 91 CO 0.32 -0.81 -0.05 -0.63 -0.17 0.00 0.00 175.17 173.83 3m1r s ILE 92 N 2.49 3.23 0.21 4.11 -1.09 -1.26 -4.79 121.20 124.11 3m1r s ILE 92 Ca 0.69 -0.58 -0.31 0.00 -2.23 0.00 0.00 60.65 58.23 3m1r s ILE 92 Cb -0.36 -2.48 -0.10 0.00 -1.58 0.00 0.00 42.46 37.94 3m1r s ILE 92 CO 0.29 0.41 1.48 -2.28 -1.23 0.00 0.00 174.94 173.62 3m1r s HIS 93 N 1.45 3.04 0.42 3.97 2.46 -1.26 -4.88 115.29 120.49 3m1r s HIS 93 Ca 0.05 0.88 0.38 0.00 0.47 0.00 0.00 55.06 56.84 3m1r s HIS 93 Cb -0.14 -3.85 1.89 0.00 -0.13 0.00 0.00 32.58 30.35 3m1r s HIS 93 CO -0.04 -2.92 2.19 -0.24 -2.47 0.00 0.00 174.74 171.25 3m1r h VAL 94 N 3.75 0.10 0.00 0.89 3.04 -2.02 -3.36 116.25 118.66 3m1r h VAL 94 Ca -0.45 -0.27 -0.11 0.00 -1.01 0.00 0.00 66.70 64.87 3m1r h VAL 94 Cb 1.21 1.24 -0.02 0.00 -2.01 0.00 0.00 31.29 31.71 3m1r h VAL 94 CO 0.83 0.02 -1.36 0.41 -1.01 0.00 0.00 177.57 176.46 3m1r n THR 95 N -3.19 0.35 -3.35 3.17 -1.04 -1.26 -5.00 114.28 103.97 3m1r n THR 95 Ca -0.02 -0.10 -0.44 0.00 -2.04 0.00 0.00 64.05 61.46 3m1r n THR 95 Cb 0.18 -1.46 -0.07 0.00 -1.82 0.00 0.00 70.33 67.16 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 -5.44 6.16 0.13 8.00 -1.08 -1.26 -4.93 116.67 118.26 3m1r s ASP 96 Ca -0.09 -1.24 0.09 0.00 -0.52 0.00 0.00 52.55 50.79 3m1r s ASP 96 Cb 0.03 -2.20 -0.16 0.00 -1.46 0.00 0.00 42.92 39.13 3m1r s ASP 96 CO 0.12 -0.68 1.25 0.16 0.52 0.00 0.00 175.17 176.53 3m1r h ILE 97 N 5.77 1.45 -0.90 4.11 3.07 -1.95 -0.13 117.51 128.93 3m1r h ILE 97 Ca -0.28 -3.10 -0.01 0.00 1.55 0.00 0.00 64.86 63.02 3m1r h ILE 97 Cb 1.11 2.71 -0.04 0.00 -0.27 0.00 0.00 36.82 40.32 3m1r h ILE 97 CO 0.89 0.82 0.52 0.58 -1.05 0.00 0.00 178.15 179.91 3m1r h VAL 98 N 0.00 1.26 -0.35 0.16 2.07 -1.97 0.11 116.25 117.52 3m1r h VAL 98 Ca -0.04 -0.60 -0.10 0.00 0.82 0.00 0.00 66.70 66.78 3m1r h VAL 98 Cb 1.71 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 3m1r h VAL 98 CO 0.11 0.28 -0.18 0.50 0.02 0.00 0.00 177.57 178.30 3m1r h LYS 99 N 1.25 0.74 -0.89 1.57 3.64 -1.95 -2.93 116.57 118.01 3m1r h LYS 99 Ca 0.32 -0.33 0.09 0.00 -1.27 0.00 0.00 60.65 59.46 3m1r h LYS 99 Cb -0.01 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.73 3m1r h LYS 99 CO -0.06 0.94 0.57 0.77 -2.27 0.00 0.00 179.45 179.41 3m1r h SER 100 N 0.53 0.81 -0.51 4.20 0.02 -0.41 -1.21 113.55 116.98 3m1r h SER 100 Ca 0.08 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.96 3m1r h SER 100 Cb 0.73 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 3m1r h SER 100 CO 0.05 0.49 0.00 0.45 -1.14 0.00 0.00 176.83 176.68 3m1r h HIS 101 N 0.91 1.02 -0.51 3.45 3.86 -0.67 -2.48 115.15 120.72 3m1r h HIS 101 Ca 0.40 -0.16 -0.07 0.00 -1.16 0.00 0.00 60.37 59.38 3m1r h HIS 101 Cb 0.36 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 3m1r h HIS 101 CO -0.00 0.91 0.05 0.45 0.86 0.00 0.00 177.93 180.20 3m1r h HIS 102 N 0.87 0.94 -0.62 2.45 -0.00 -1.16 -0.64 115.15 116.99 3m1r h HIS 102 Ca 0.16 -0.15 0.13 0.00 -0.00 0.00 0.00 60.37 60.51 3m1r h HIS 102 Cb 0.51 -0.25 -0.11 0.00 -0.00 0.00 0.00 27.41 27.56 3m1r h HIS 102 CO 0.03 0.86 -0.08 0.45 -0.00 0.00 0.00 177.93 179.19 3m1r h HIS 103 N 0.74 -0.18 -0.04 2.45 3.86 -1.12 0.20 115.15 121.06 3m1r h HIS 103 Ca 0.15 0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.41 3m1r h HIS 103 Cb 0.45 0.18 -0.00 0.00 1.06 0.00 0.00 27.41 29.10 3m1r h HIS 103 CO 0.03 -0.22 0.01 0.82 0.86 0.00 0.00 177.93 179.43 3m1r h ILE 104 N 0.05 1.18 0.19 2.45 2.04 -1.00 -1.67 117.51 120.75 3m1r h ILE 104 Ca 0.31 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 3m1r h ILE 104 Cb 0.50 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 3m1r h ILE 104 CO -0.58 0.14 -0.09 0.15 0.00 0.00 0.00 178.15 177.77 3m1r h PHE 105 N -0.14 -0.24 -0.17 1.37 3.04 -0.67 -3.20 116.94 116.93 3m1r h PHE 105 Ca 0.01 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.00 3m1r h PHE 105 Cb 0.22 0.08 -0.04 0.00 2.56 0.00 0.00 35.95 38.76 3m1r h PHE 105 CO -0.00 -0.09 -0.10 1.96 -2.02 0.00 0.00 178.31 178.05 3m1r h GLN 106 N -0.33 -0.10 0.00 1.11 4.20 -0.61 0.68 115.11 120.06 3m1r h GLN 106 Ca -0.03 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3m1r h GLN 106 Cb 0.25 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.06 3m1r h GLN 106 CO 0.04 -0.06 0.00 2.41 -0.67 0.00 0.00 178.83 180.55 3m1r n THR 107 N -5.26 0.00 0.00 -0.54 -1.04 -0.63 -1.34 114.28 105.47 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 0.18 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.60 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 0.30 0.00 -0.19 -1.42 -0.00 0.23 -1.22 115.22 112.92 3m1r n HIS 109 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.62 3m1r n HIS 109 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.00 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 0.74 -0.22 1.57 0.00 -1.45 0.12 119.26 120.01 3m1r h ALA 110 Ca 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3m1r h ALA 110 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3m1r h ALA 110 CO 0.00 0.63 0.10 -0.07 0.00 0.00 0.00 179.25 179.91 3m1r h LEU 111 N 0.88 0.29 -0.58 0.00 3.38 -1.41 0.16 115.31 118.03 3m1r h LEU 111 Ca 0.14 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3m1r h LEU 111 Cb 0.64 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 3m1r h LEU 111 CO 0.04 0.34 0.34 -0.07 0.09 0.00 0.00 178.44 179.19 3m1r h LEU 112 N 0.22 0.70 -0.70 1.67 4.07 -1.78 -0.53 115.31 118.96 3m1r h LEU 112 Ca 0.08 -0.06 -0.13 0.00 0.08 0.00 0.00 57.88 57.84 3m1r h LEU 112 Cb 0.13 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.68 3m1r h LEU 112 CO -0.01 0.55 -0.47 0.28 -1.08 0.00 0.00 178.44 177.72 3m1r h SER 113 N 0.78 0.47 1.67 -0.43 0.02 -0.59 -3.18 113.55 112.29 3m1r h SER 113 Ca 0.21 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3m1r h SER 113 Cb -0.01 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 3m1r h SER 113 CO -0.04 0.87 -0.33 0.44 -1.14 0.00 0.00 176.83 176.63 3m1r h ASP 114 N 0.35 0.00 -2.45 3.07 3.32 -0.51 -3.40 116.42 116.80 3m1r h ASP 114 Ca 0.02 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.48 3m1r h ASP 114 Cb 0.96 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.12 3m1r h ASP 114 CO 0.08 0.03 -0.94 -1.00 -1.72 0.00 0.00 179.24 175.70 3m1r s HIS 115 N -3.24 1.18 0.11 4.55 3.76 -0.22 -5.00 115.29 116.43 3m1r s HIS 115 Ca 0.05 -2.29 0.31 0.00 -0.15 0.00 0.00 55.06 52.98 3m1r s HIS 115 Cb 0.06 -1.03 1.63 0.00 1.11 0.00 0.00 32.58 34.36 3m1r s HIS 115 CO 0.71 -0.81 1.95 -1.35 -0.85 0.00 0.00 174.74 174.39 3m1r h PRO 116 N 5.83 0.00 -0.08 8.40 0.11 -1.79 -1.55 132.00 142.92 3m1r h PRO 116 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 3m1r h PRO 116 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3m1r h PRO 116 CO 0.38 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.92 3m1r n ASP 117 N -2.62 2.97 -4.70 -2.05 9.92 -1.26 -4.93 116.55 113.88 3m1r n ASP 117 Ca -0.02 -1.95 -0.42 0.00 -0.53 0.00 0.00 54.79 51.87 3m1r n ASP 117 Cb 0.09 -0.03 -0.03 0.00 -0.64 0.00 0.00 41.12 40.50 3m1r n ASP 117 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 3m1r s TRP 118 N -1.84 3.10 -0.34 1.24 -0.00 -0.58 -1.16 118.94 119.36 3m1r s TRP 118 Ca 0.28 0.93 -0.06 0.00 -0.00 0.00 0.00 56.10 57.25 3m1r s TRP 118 Cb 0.19 -3.65 0.04 0.00 -0.00 0.00 0.00 33.47 30.05 3m1r s TRP 118 CO 0.29 -2.32 0.09 0.08 -0.00 0.00 0.00 176.95 175.10 3m1r s VAL 119 N 1.63 3.70 0.26 5.86 1.01 -0.67 -4.92 120.40 127.27 3m1r s VAL 119 Ca 0.64 -1.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 3m1r s VAL 119 Cb -0.34 -3.10 -0.10 0.00 0.00 0.00 0.00 36.38 32.84 3m1r s VAL 119 CO 0.29 -0.17 1.37 -2.84 0.00 0.00 0.00 175.10 173.75 3m1r s PRO 120 N 1.38 4.32 -0.47 2.72 0.02 -1.24 -2.54 135.00 139.19 3m1r s PRO 120 Ca -0.02 2.22 -0.02 0.00 0.02 0.00 0.00 61.00 63.20 3m1r s PRO 120 Cb -0.20 -3.12 0.13 0.00 0.02 0.00 0.00 34.50 31.33 3m1r s PRO 120 CO 0.02 -0.32 0.26 -0.51 -0.33 0.00 0.00 177.00 176.12 3m1r s LEU 121 N -0.66 5.14 -0.18 -5.54 1.02 -0.74 -1.17 118.68 116.56 3m1r s LEU 121 Ca 0.56 -2.35 -0.15 0.00 0.02 0.00 0.00 54.13 52.22 3m1r s LEU 121 Cb -0.40 -1.81 -0.04 0.00 0.02 0.00 0.00 46.19 43.96 3m1r s LEU 121 CO 0.44 -0.46 0.33 -0.63 0.02 0.00 0.00 176.35 176.05 3m1r s ILE 122 N 0.67 5.27 -0.33 -0.59 1.01 0.20 -1.78 121.20 125.65 3m1r s ILE 122 Ca 0.12 0.60 -0.06 0.00 0.00 0.00 0.00 60.65 61.31 3m1r s ILE 122 Cb -0.22 -3.67 0.04 0.00 0.01 0.00 0.00 42.46 38.63 3m1r s ILE 122 CO -0.04 0.34 0.09 -0.76 0.00 0.00 0.00 174.94 174.57 3m1r s LEU 123 N 0.79 4.26 0.94 2.97 1.02 -0.04 -0.95 118.68 127.66 3m1r s LEU 123 Ca 0.17 -1.17 -0.15 0.00 0.02 0.00 0.00 54.13 53.00 3m1r s LEU 123 Cb -0.14 -1.84 0.19 0.00 0.02 0.00 0.00 46.19 44.42 3m1r s LEU 123 CO 0.06 -0.32 1.30 -0.83 0.02 0.00 0.00 176.35 176.57 3m1r s GLY 124 N 1.39 1.77 0.00 -3.19 0.00 0.18 -0.32 107.32 107.14 3m1r s GLY 124 Ca -0.02 -1.19 0.00 0.00 0.00 0.00 0.00 44.72 43.50 3m1r s GLY 124 CO 0.02 -0.45 0.00 0.61 0.00 0.00 0.00 173.10 173.28 3m1r n GLY 125 N -3.69 -0.68 3.95 0.20 0.00 -0.07 -3.37 105.19 101.53 3m1r n GLY 125 Ca 0.15 -1.54 -0.26 0.00 0.00 0.00 0.00 46.02 44.37 3m1r n GLY 125 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3m1r s ASP 126 N -1.95 4.38 0.00 1.61 1.47 -0.01 -1.81 116.67 120.36 3m1r s ASP 126 Ca 0.00 0.22 0.09 0.00 1.18 0.00 0.00 52.55 54.04 3m1r s ASP 126 Cb 0.00 -0.69 0.42 0.00 -0.34 0.00 0.00 42.92 42.31 3m1r s ASP 126 CO 0.00 -1.87 1.24 -3.20 0.68 0.00 0.00 175.17 172.02 3m1r n ASN 127 N -3.05 0.00 0.27 2.11 4.05 -1.26 -2.61 115.26 114.77 3m1r n ASN 127 Ca 0.11 0.35 0.17 0.00 0.45 0.00 0.00 54.58 55.66 3m1r n ASN 127 Cb 0.60 -0.41 0.65 0.00 1.23 0.00 0.00 39.78 41.85 3m1r n ASN 127 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 177.26 174.98 3m1r h SER 128 N 0.00 0.00 0.42 1.20 4.64 -1.80 -2.63 113.55 115.38 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 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3m1r h SER 128 CO 0.00 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.26 3m1r n ILE 129 N -3.08 1.05 -0.03 0.95 -5.35 -1.07 -3.42 119.36 108.41 3m1r n ILE 129 Ca 0.01 0.39 -0.02 0.00 -0.27 0.00 0.00 62.75 62.86 3m1r n ILE 129 Cb 0.32 -1.32 0.24 0.00 -1.74 0.00 0.00 39.64 37.14 3m1r n ILE 129 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3m1r h SER 130 N 0.00 0.56 0.01 7.28 0.02 -1.72 -1.34 113.55 118.35 3m1r h SER 130 Ca 0.00 -0.13 0.03 0.00 -0.84 0.00 0.00 61.79 60.85 3m1r h SER 130 Cb 0.21 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 3m1r h SER 130 CO 0.00 0.67 -0.25 0.22 -1.14 0.00 0.00 176.83 176.33 3m1r h TYR 131 N 0.55 -0.66 -0.32 3.45 3.20 -1.78 -0.75 116.97 120.65 3m1r h TYR 131 Ca 0.11 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.84 3m1r h TYR 131 Cb 0.44 0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 3m1r h TYR 131 CO 0.02 -0.34 -0.43 0.77 -1.64 0.00 0.00 178.16 176.53 3m1r h SER 132 N -0.39 0.89 -0.33 -2.11 0.02 -1.68 -0.52 113.55 109.43 3m1r h SER 132 Ca 0.06 -0.43 -0.11 0.00 -0.84 0.00 0.00 61.79 60.47 3m1r h SER 132 Cb 0.47 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 3m1r h SER 132 CO -0.21 1.20 -0.24 0.71 -1.14 0.00 0.00 176.83 177.15 3m1r h THR 133 N 0.66 1.29 -0.10 -2.27 1.35 -1.25 -2.64 112.91 109.96 3m1r h THR 133 Ca 0.04 -1.38 -0.19 0.00 -0.55 0.00 0.00 66.41 64.33 3m1r h THR 133 Cb 1.01 1.46 -0.00 0.00 -1.73 0.00 0.00 68.15 68.89 3m1r h THR 133 CO 0.10 0.45 -0.72 0.40 -0.25 0.00 0.00 175.52 175.50 3m1r h ILE 134 N 0.51 1.35 -0.88 6.82 2.04 -1.09 -1.71 117.51 124.55 3m1r h ILE 134 Ca 0.06 -2.07 0.01 0.00 1.00 0.00 0.00 64.86 63.86 3m1r h ILE 134 Cb 0.79 2.05 -0.04 0.00 -0.74 0.00 0.00 36.82 38.88 3m1r h ILE 134 CO 0.06 0.63 0.58 0.50 0.00 0.00 0.00 178.15 179.93 3m1r h LYS 135 N 0.34 1.15 -0.54 2.37 3.64 -1.13 0.12 116.57 122.52 3m1r h LYS 135 Ca -0.03 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.16 3m1r h LYS 135 Cb 1.30 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 3m1r h LYS 135 CO 0.13 0.76 -0.12 0.00 -2.27 0.00 0.00 179.45 177.96 3m1r h ALA 136 N 1.33 0.76 -0.40 5.00 0.00 -1.16 -0.55 119.26 124.23 3m1r h ALA 136 Ca 0.32 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3m1r h ALA 136 Cb -0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3m1r h ALA 136 CO -0.07 0.68 -0.05 0.82 0.00 0.00 0.00 179.25 180.62 3m1r h ILE 137 N 0.92 1.27 -0.13 0.00 1.08 -0.97 -2.60 117.51 117.08 3m1r h ILE 137 Ca 0.14 -1.10 -0.03 0.00 -0.39 0.00 0.00 64.86 63.48 3m1r h ILE 137 Cb 0.69 1.17 -0.00 0.00 -3.07 0.00 0.00 36.82 35.61 3m1r h ILE 137 CO 0.05 0.37 -0.02 0.00 -0.69 0.00 0.00 178.15 177.87 3m1r h ALA 138 N 0.86 0.18 -0.11 1.87 0.00 -0.69 0.32 119.26 121.70 3m1r h ALA 138 Ca 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3m1r h ALA 138 Cb 0.55 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3m1r h ALA 138 CO 0.03 -0.10 0.00 1.04 0.00 0.00 0.00 179.25 180.22 3m1r n GLN 139 N -4.75 1.43 0.00 0.00 6.02 -0.22 -1.89 117.38 117.97 3m1r n GLN 139 Ca -0.06 -0.46 0.00 0.00 -0.01 0.00 0.00 57.00 56.47 3m1r n GLN 139 Cb 0.23 -1.32 0.00 0.00 1.02 0.00 0.00 30.24 30.17 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 -0.04 0.00 -0.12 5.09 -1.04 -0.98 -4.91 114.28 112.28 3m1r n THR 140 Ca 0.04 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.86 3m1r n THR 140 Cb 0.23 -0.40 -0.12 0.00 -1.82 0.00 0.00 70.33 68.22 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 -1.89 0.65 0.00 -2.82 4.76 0.11 -5.01 118.16 113.97 3m1r n LYS 141 Ca 0.00 0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 3m1r n LYS 141 Cb 0.31 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 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 2.15 0.46 3.67 0.72 0.00 -0.79 -5.00 105.19 106.39 3m1r n GLY 142 Ca -0.46 -1.72 -0.43 0.00 0.00 0.00 0.00 46.02 43.42 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 -2.27 4.27 -0.13 2.61 2.01 -1.26 -4.50 115.64 116.37 3m1r s THR 143 Ca 0.00 1.55 0.02 0.00 0.31 0.00 0.00 61.69 63.58 3m1r s THR 143 Cb 0.00 -4.00 0.00 0.00 0.01 0.00 0.00 72.50 68.51 3m1r s THR 143 CO 0.00 -0.11 -0.20 -0.89 -0.69 0.00 0.00 174.62 172.73 3m1r s THR 144 N 3.23 2.27 0.24 -0.82 2.01 -1.26 -0.93 115.64 120.38 3m1r s THR 144 Ca 0.55 -0.92 -0.30 0.00 0.31 0.00 0.00 61.69 61.33 3m1r s THR 144 Cb -0.22 -1.91 -0.09 0.00 0.01 0.00 0.00 72.50 70.28 3m1r s THR 144 CO 0.16 0.54 0.94 0.00 -0.69 0.00 0.00 174.62 175.57 3m1r s ALA 145 N 0.67 3.34 -0.20 7.40 0.00 0.86 -4.79 121.76 129.03 3m1r s ALA 145 Ca -0.10 0.62 -0.01 0.00 0.00 0.00 0.00 51.96 52.47 3m1r s ALA 145 Cb -0.16 -3.21 0.01 0.00 0.00 0.00 0.00 23.12 19.76 3m1r s ALA 145 CO 0.02 0.20 -0.12 0.08 0.00 0.00 0.00 175.76 175.94 3m1r s VAL 146 N -1.15 2.66 -0.44 0.00 1.01 -0.63 -0.83 120.40 121.02 3m1r s VAL 146 Ca 0.41 -0.78 -0.16 0.00 0.00 0.00 0.00 61.98 61.45 3m1r s VAL 146 Cb -0.26 -2.19 0.05 0.00 0.00 0.00 0.00 36.38 33.98 3m1r s VAL 146 CO 0.32 0.45 0.37 -0.63 0.00 0.00 0.00 175.10 175.61 3m1r s ILE 147 N 1.37 5.22 -0.41 2.22 1.01 -0.22 -0.62 121.20 129.77 3m1r s ILE 147 Ca 0.05 -0.83 -0.08 0.00 0.00 0.00 0.00 60.65 59.79 3m1r s ILE 147 Cb -0.14 -4.05 0.08 0.00 0.01 0.00 0.00 42.46 38.36 3m1r s ILE 147 CO -0.08 -0.47 0.23 -1.58 0.00 0.00 0.00 174.94 173.04 3m1r s GLN 148 N 1.73 2.54 -0.14 2.79 0.74 0.11 -1.34 119.66 126.09 3m1r s GLN 148 Ca 0.05 -1.46 -0.29 0.00 0.05 0.00 0.00 55.36 53.71 3m1r s GLN 148 Cb -0.21 -3.71 -0.01 0.00 1.10 0.00 0.00 33.01 30.17 3m1r s GLN 148 CO 0.09 -0.93 0.98 -0.06 -0.55 0.00 0.00 175.29 174.82 3m1r s PHE 149 N 1.39 3.46 -0.28 1.67 0.08 -0.45 -0.97 117.98 122.88 3m1r s PHE 149 Ca 0.03 1.51 -0.26 0.00 0.12 0.00 0.00 56.93 58.33 3m1r s PHE 149 Cb -0.23 -3.17 0.16 0.00 -0.57 0.00 0.00 43.02 39.21 3m1r s PHE 149 CO 0.01 -0.28 1.25 0.34 -0.10 0.00 0.00 175.22 176.44 3m1r s ASP 150 N 1.13 -0.23 0.45 1.36 -1.08 0.11 -1.82 116.67 116.59 3m1r s ASP 150 Ca 0.46 0.41 0.25 0.00 -0.52 0.00 0.00 52.55 53.15 3m1r s ASP 150 Cb -0.17 0.41 0.75 0.00 -1.46 0.00 0.00 42.92 42.44 3m1r s ASP 150 CO 0.15 -0.10 1.75 0.00 0.52 0.00 0.00 175.17 177.49 3m1r h ALA 151 N 3.40 0.96 -3.59 3.66 0.00 -1.76 -2.30 119.26 119.63 3m1r h ALA 151 Ca -0.25 -0.10 -0.64 0.00 0.00 0.00 0.00 54.91 53.92 3m1r h ALA 151 Cb 1.19 -0.02 -0.21 0.00 0.00 0.00 0.00 17.79 18.75 3m1r h ALA 151 CO 0.17 0.14 -0.84 -1.01 0.00 0.00 0.00 179.25 177.71 3m1r s HIS 152 N -3.41 2.15 0.29 0.00 3.76 -1.26 -2.11 115.29 114.71 3m1r s HIS 152 Ca 0.03 -0.39 0.02 0.00 -0.15 0.00 0.00 55.06 54.58 3m1r s HIS 152 Cb 0.08 -1.13 0.43 0.00 1.11 0.00 0.00 32.58 33.06 3m1r s HIS 152 CO 0.63 0.35 1.75 0.45 -0.85 0.00 0.00 174.74 177.07 3m1r h HIS 153 N 3.69 0.57 -5.83 1.40 3.86 -1.90 -3.48 115.15 113.46 3m1r h HIS 153 Ca -0.48 -0.11 -0.39 0.00 -1.16 0.00 0.00 60.37 58.24 3m1r h HIS 153 Cb 1.19 -0.15 0.13 0.00 1.06 0.00 0.00 27.41 29.64 3m1r h HIS 153 CO 0.63 0.68 -0.72 -0.25 0.86 0.00 0.00 177.93 179.14 3m1r n ASP 154 N -4.15 -4.92 -2.13 2.45 9.92 -1.26 -4.82 116.55 111.64 3m1r n ASP 154 Ca 0.00 -0.59 -0.25 0.00 -0.53 0.00 0.00 54.79 53.43 3m1r n ASP 154 Cb 0.37 -4.96 0.02 0.00 -0.64 0.00 0.00 41.12 35.91 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 -4.73 2.48 -1.99 2.53 0.24 -1.19 -1.92 118.33 113.77 3m1r n VAL 155 Ca -0.08 -4.37 -0.37 0.00 -2.04 0.00 0.00 64.34 57.47 3m1r n VAL 155 Cb 0.59 -1.15 0.02 0.00 -1.47 0.00 0.00 33.84 31.83 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 -3.59 3.33 0.80 7.34 0.52 -0.47 -4.72 118.95 122.17 3m1r s ARG 156 Ca 0.50 2.00 -0.14 0.00 -0.52 0.00 0.00 55.73 57.58 3m1r s ARG 156 Cb 0.41 -2.25 0.07 0.00 0.52 0.00 0.00 34.95 33.70 3m1r s ARG 156 CO -0.01 -0.97 1.17 0.27 0.02 0.00 0.00 175.30 175.78 3m1r n ASN 157 N -0.93 0.95 0.00 0.23 0.23 -1.26 -4.45 115.26 110.03 3m1r n ASN 157 Ca 0.10 0.59 0.10 0.00 -0.53 0.00 0.00 54.58 54.85 3m1r n ASN 157 Cb 0.47 -1.50 -0.09 0.00 -2.08 0.00 0.00 39.78 36.59 3m1r n ASN 157 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 3m1r n THR 158 N -3.21 0.02 -0.10 5.53 5.66 -1.26 -4.41 114.28 116.51 3m1r n THR 158 Ca 0.13 -0.12 -0.09 0.00 -3.05 0.00 0.00 64.05 60.92 3m1r n THR 158 Cb 0.50 0.68 0.05 0.00 -1.55 0.00 0.00 70.33 70.01 3m1r n THR 158 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 3m1r h GLU 159 N 0.00 0.82 0.45 1.09 3.07 -1.92 -1.81 114.58 116.28 3m1r h GLU 159 Ca 0.00 -0.37 -0.02 0.00 -0.50 0.00 0.00 59.36 58.47 3m1r h GLU 159 Cb 0.62 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 3m1r h GLU 159 CO 0.00 1.00 -0.22 -0.44 -1.40 0.00 0.00 179.01 177.95 3m1r h ASP 160 N 0.70 -0.51 -0.01 1.42 3.32 -2.00 -3.37 116.42 115.96 3m1r h ASP 160 Ca 0.08 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3m1r h ASP 160 Cb 0.83 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.51 3m1r h ASP 160 CO 0.07 -0.12 -0.07 0.61 -1.72 0.00 0.00 179.24 178.01 3m1r n GLY 161 N -0.28 -0.27 4.50 2.75 0.00 -1.26 -5.12 105.19 105.51 3m1r n GLY 161 Ca -0.10 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 0.72 -1.69 2.63 -0.02 0.00 -0.68 -4.43 105.19 101.73 3m1r n GLY 162 Ca 0.06 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 3m1r n GLY 162 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3m1r n PRO 163 N 0.00 3.12 -1.18 1.61 -0.04 -1.26 -4.70 135.00 132.55 3m1r n PRO 163 Ca 0.00 -2.57 -0.30 0.00 -0.04 0.00 0.00 63.50 60.59 3m1r n PRO 163 Cb 0.00 -3.14 0.22 0.00 -0.04 0.00 0.00 33.50 30.53 3m1r n PRO 163 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3m1r s THR 164 N 2.73 1.75 -0.72 0.52 -4.23 -1.26 -4.90 115.64 109.53 3m1r s THR 164 Ca 0.52 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 61.19 3m1r s THR 164 Cb 0.15 -2.54 0.16 0.00 1.34 0.00 0.00 72.50 71.60 3m1r s THR 164 CO -0.08 0.00 1.50 -0.46 -0.54 0.00 0.00 174.62 175.04 3m1r n ASN 165 N -4.51 0.30 0.00 3.99 6.94 -0.62 -2.18 115.26 119.19 3m1r n ASN 165 Ca 0.11 0.59 0.12 0.00 -0.02 0.00 0.00 54.58 55.38 3m1r n ASN 165 Cb 0.59 -0.65 0.31 0.00 -2.36 0.00 0.00 39.78 37.67 3m1r n ASN 165 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3m1r n GLY 166 N -0.44 -1.29 0.00 4.83 0.00 -1.26 -3.93 105.19 103.11 3m1r n GLY 166 Ca 0.02 -0.31 0.10 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.50 0.00 -0.33 2.61 -2.24 -0.93 -1.36 114.28 110.53 3m1r n THR 167 Ca 0.06 -0.15 0.13 0.00 -2.27 0.00 0.00 64.05 61.82 3m1r n THR 167 Cb 0.34 0.70 0.35 0.00 -2.10 0.00 0.00 70.33 69.61 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 0.71 0.00 -0.78 0.13 -1.73 -1.38 132.00 128.95 3m1r h PRO 168 Ca 0.00 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 3m1r h PRO 168 Cb 0.65 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.62 3m1r h PRO 168 CO 0.00 0.47 -0.52 0.74 -0.23 0.00 0.00 178.00 178.46 3m1r h PHE 169 N 0.74 0.00 -0.26 1.56 -1.00 -1.69 -1.53 116.94 114.76 3m1r h PHE 169 Ca 0.54 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 61.23 3m1r h PHE 169 Cb 0.87 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.43 3m1r h PHE 169 CO -0.00 0.00 -0.20 -0.09 -1.61 0.00 0.00 178.31 176.41 3m1r h ARG 170 N 0.00 0.59 -0.16 1.51 2.43 -1.31 -1.45 114.38 116.00 3m1r h ARG 170 Ca 0.00 -0.29 -0.00 0.00 -0.81 0.00 0.00 59.98 58.88 3m1r h ARG 170 Cb 0.99 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 3m1r h ARG 170 CO 0.00 0.88 0.09 0.00 -1.51 0.00 0.00 179.97 179.43 3m1r h ARG 171 N 0.32 0.22 -0.09 0.20 3.08 -1.34 0.24 114.38 117.01 3m1r h ARG 171 Ca 0.05 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.10 3m1r h ARG 171 Cb 0.74 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.71 3m1r h ARG 171 CO 0.05 0.22 -0.07 -0.07 -1.07 0.00 0.00 179.97 179.03 3m1r h LEU 172 N 0.17 -0.22 -0.09 3.04 4.07 -1.31 -1.87 115.31 119.11 3m1r h LEU 172 Ca 0.06 0.05 -0.04 0.00 0.08 0.00 0.00 57.88 58.03 3m1r h LEU 172 Cb 0.06 0.11 -0.00 0.00 1.08 0.00 0.00 40.66 41.91 3m1r h LEU 172 CO -0.01 -0.10 -0.09 -0.07 -1.08 0.00 0.00 178.44 177.10 3m1r h LEU 173 N -0.08 0.23 -1.01 1.67 4.07 -1.16 -0.21 115.31 118.81 3m1r h LEU 173 Ca 0.06 -0.48 0.07 0.00 0.08 0.00 0.00 57.88 57.61 3m1r h LEU 173 Cb 0.16 -0.07 -0.07 0.00 1.08 0.00 0.00 40.66 41.77 3m1r h LEU 173 CO -0.14 0.67 0.65 0.44 -1.08 0.00 0.00 178.44 178.98 3m1r h ASP 174 N -0.20 1.03 -0.07 -0.43 5.19 -1.01 -1.90 116.42 119.03 3m1r h ASP 174 Ca 0.01 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 3m1r h ASP 174 Cb 0.60 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.91 3m1r h ASP 174 CO 0.02 0.64 0.00 -0.62 -3.12 0.00 0.00 179.24 176.16 3m1r n GLU 175 N -4.51 1.53 -2.51 3.56 1.02 -0.70 -4.92 120.64 114.11 3m1r n GLU 175 Ca 0.16 -0.79 -0.19 0.00 -0.02 0.00 0.00 57.16 56.32 3m1r n GLU 175 Cb 0.21 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 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 -0.02 -2.26 -0.09 3.49 1.02 -0.71 -4.89 120.64 117.17 3m1r n GLU 176 Ca 0.18 0.88 -0.05 0.00 -0.02 0.00 0.00 57.16 58.16 3m1r n GLU 176 Cb 0.28 -5.46 0.16 0.00 -0.02 0.00 0.00 31.44 26.40 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 -0.33 1.25 -4.14 -3.67 1.08 -1.31 -3.45 117.51 106.93 3m1r h ILE 177 Ca -0.45 -1.08 -0.14 0.00 -0.39 0.00 0.00 64.86 62.81 3m1r h ILE 177 Cb 1.33 0.98 -0.14 0.00 -3.07 0.00 0.00 36.82 35.92 3m1r h ILE 177 CO 0.52 0.37 -0.51 0.27 -0.69 0.00 0.00 178.15 178.12 3m1r s ILE 178 N -4.87 0.11 0.04 -0.67 -4.36 -1.24 -4.89 121.20 105.32 3m1r s ILE 178 Ca -0.09 -1.63 -0.05 0.00 -0.26 0.00 0.00 60.65 58.62 3m1r s ILE 178 Cb 0.14 -1.81 -0.05 0.00 1.25 0.00 0.00 42.46 41.99 3m1r s ILE 178 CO 0.81 -0.51 0.28 -1.61 0.24 0.00 0.00 174.94 174.15 3m1r s GLU 179 N -3.98 3.57 0.27 0.37 2.02 -1.26 -4.49 118.70 115.19 3m1r s GLU 179 Ca 0.17 -0.13 0.00 0.00 0.02 0.00 0.00 54.97 55.03 3m1r s GLU 179 Cb 0.06 -3.03 0.57 0.00 0.10 0.00 0.00 34.13 31.83 3m1r s GLU 179 CO -0.02 0.61 1.76 0.78 0.02 0.00 0.00 175.26 178.41 3m1r h GLY 180 N 3.65 1.46 2.00 -1.39 0.00 -1.88 -0.47 103.07 106.45 3m1r h GLY 180 Ca -0.49 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.57 3m1r h GLY 180 CO 0.69 -0.04 0.00 0.61 0.00 0.00 0.00 176.54 177.79 3m1r n GLN 181 N -4.85 0.19 0.00 4.80 10.64 -1.21 -1.17 117.38 125.77 3m1r n GLN 181 Ca 0.18 0.38 0.13 0.00 -1.83 0.00 0.00 57.00 55.86 3m1r n GLN 181 Cb 0.46 -1.83 0.40 0.00 -0.86 0.00 0.00 30.24 28.41 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 -2.18 0.00 -3.58 2.61 8.25 -0.20 -4.78 115.22 115.35 3m1r n HIS 182 Ca 0.03 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.10 3m1r n HIS 182 Cb 0.25 -0.00 -0.11 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 -2.00 4.15 -0.30 2.41 0.20 -0.32 -1.60 118.68 121.21 3m1r s LEU 183 Ca 0.35 -0.15 -0.09 0.00 0.69 0.00 0.00 54.13 54.93 3m1r s LEU 183 Cb 0.21 -2.11 -0.00 0.00 -0.43 0.00 0.00 46.19 43.85 3m1r s LEU 183 CO 0.33 -0.11 0.13 -0.63 -0.29 0.00 0.00 176.35 175.77 3m1r s ILE 184 N 1.74 4.36 -0.32 6.68 1.01 0.20 -1.40 121.20 133.49 3m1r s ILE 184 Ca 0.07 -0.52 -0.10 0.00 0.00 0.00 0.00 60.65 60.09 3m1r s ILE 184 Cb -0.16 -3.23 -0.01 0.00 0.01 0.00 0.00 42.46 39.07 3m1r s ILE 184 CO 0.10 0.07 0.16 -1.10 0.00 0.00 0.00 174.94 174.18 3m1r s GLN 185 N 1.57 3.34 -0.23 2.79 -0.21 0.01 0.07 119.66 127.00 3m1r s GLN 185 Ca 0.04 -0.72 -0.05 0.00 0.02 0.00 0.00 55.36 54.65 3m1r s GLN 185 Cb -0.17 -3.60 -0.01 0.00 1.00 0.00 0.00 33.01 30.23 3m1r s GLN 185 CO 0.05 -0.43 -0.00 -0.51 -2.12 0.00 0.00 175.29 172.28 3m1r s LEU 186 N 1.62 3.08 0.00 2.90 1.43 -0.14 -1.24 118.68 126.33 3m1r s LEU 186 Ca 0.05 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 3m1r s LEU 186 Cb -0.17 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.25 3m1r s LEU 186 CO 0.07 -0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.23 3m1r n GLY 187 N 4.84 1.02 3.67 -3.19 0.00 -0.68 -0.71 105.19 110.14 3m1r n GLY 187 Ca -0.17 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.34 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 0.27 -4.63 -0.61 2.08 -0.87 -4.11 119.36 109.88 3m1r n ILE 188 Ca 0.00 -0.05 -0.33 0.00 0.56 0.00 0.00 62.75 62.93 3m1r n ILE 188 Cb 0.00 -1.44 -0.11 0.00 -0.75 0.00 0.00 39.64 37.34 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 2.51 2.69 0.29 0.38 3.52 -0.89 -4.30 118.95 123.14 3m1r s ARG 189 Ca 0.89 -0.59 -0.30 0.00 -0.13 0.00 0.00 55.73 55.60 3m1r s ARG 189 Cb -0.83 -2.55 -0.12 0.00 -1.56 0.00 0.00 34.95 29.89 3m1r s ARG 189 CO 0.51 0.65 1.47 -1.91 -0.81 0.00 0.00 175.30 175.20 3m1r n GLU 190 N 2.13 2.35 -0.89 5.12 4.07 -1.26 -1.79 120.64 130.37 3m1r n GLU 190 Ca -0.17 0.83 0.00 0.00 -0.06 0.00 0.00 57.16 57.76 3m1r n GLU 190 Cb 0.53 -2.53 0.00 0.00 -0.06 0.00 0.00 31.44 29.38 3m1r n GLU 190 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 3m1r n PHE 191 N 1.64 0.00 1.17 4.31 3.01 -1.26 -4.85 117.46 121.48 3m1r n PHE 191 Ca 0.09 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.67 3m1r n PHE 191 Cb 0.35 -0.72 0.24 0.00 -0.01 0.00 0.00 39.48 39.33 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 -0.19 1.61 -4.30 4.37 7.64 -0.74 -5.02 113.62 116.99 3m1r n SER 192 Ca 0.00 -1.29 -0.16 0.00 1.01 0.00 0.00 58.87 58.44 3m1r n SER 192 Cb 0.10 0.22 -0.10 0.00 -1.01 0.00 0.00 64.21 63.42 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 1.57 0.07 6.43 0.01 -1.26 -4.82 114.94 114.55 3m1r s ASN 193 Ca 0.24 -1.21 0.00 0.00 -0.71 0.00 0.00 52.86 51.19 3m1r s ASN 193 Cb 0.19 0.06 -0.04 0.00 0.41 0.00 0.00 41.25 41.87 3m1r s ASN 193 CO 0.49 -0.54 0.20 -0.44 -1.51 0.00 0.00 177.10 175.30 3m1r s SER 194 N -3.26 6.28 0.14 -1.22 0.01 -1.26 -5.03 113.70 109.36 3m1r s SER 194 Ca 0.27 0.24 -0.19 0.00 1.31 0.00 0.00 55.95 57.58 3m1r s SER 194 Cb 0.06 -1.91 -0.00 0.00 0.21 0.00 0.00 66.02 64.38 3m1r s SER 194 CO 0.07 0.16 1.70 -0.61 0.41 0.00 0.00 173.24 174.97 3m1r h GLN 195 N 3.05 -0.00 -0.59 12.44 4.15 -2.01 -0.96 115.11 131.18 3m1r h GLN 195 Ca -0.45 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 58.93 3m1r h GLN 195 Cb 1.16 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.83 3m1r h GLN 195 CO 0.75 -0.00 0.23 0.00 -1.93 0.00 0.00 178.83 177.87 3m1r h ALA 196 N 1.23 1.30 0.01 3.38 0.00 -1.99 -0.69 119.26 122.51 3m1r h ALA 196 Ca 0.12 -0.16 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 3m1r h ALA 196 Cb 0.18 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.74 3m1r h ALA 196 CO -0.25 0.52 -1.00 1.88 0.00 0.00 0.00 179.25 180.40 3m1r h TYR 197 N 0.85 0.73 -0.29 0.00 0.05 -1.85 -0.47 116.97 115.99 3m1r h TYR 197 Ca 0.20 -0.41 0.00 0.00 0.05 0.00 0.00 58.73 58.57 3m1r h TYR 197 Cb 0.17 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 3m1r h TYR 197 CO 0.01 1.24 0.18 1.49 -1.05 0.00 0.00 178.16 180.04 3m1r h GLU 198 N 0.27 0.38 -0.58 4.88 4.81 -0.83 -1.92 114.58 121.59 3m1r h GLU 198 Ca -0.10 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.04 3m1r h GLU 198 Cb 1.65 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.92 3m1r h GLU 198 CO 0.18 0.27 0.13 0.00 -0.73 0.00 0.00 179.01 178.85 3m1r h ALA 199 N 1.09 1.13 -0.69 2.92 0.00 -1.04 -0.99 119.26 121.68 3m1r h ALA 199 Ca 0.10 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.86 3m1r h ALA 199 Cb -0.03 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.47 3m1r h ALA 199 CO -0.02 0.58 0.37 -0.92 0.00 0.00 0.00 179.25 179.25 3m1r h TYR 200 N 0.86 0.67 -0.15 0.00 3.20 -0.68 -1.08 116.97 119.79 3m1r h TYR 200 Ca 0.18 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 3m1r h TYR 200 Cb 0.33 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 3m1r h TYR 200 CO 0.02 0.29 0.04 0.00 -1.64 0.00 0.00 178.16 176.86 3m1r h ALA 201 N 1.38 0.20 -0.91 1.82 0.00 -0.44 -2.74 119.26 118.57 3m1r h ALA 201 Ca 0.32 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.13 3m1r h ALA 201 Cb 0.26 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 3m1r h ALA 201 CO -0.22 -0.16 0.60 0.87 0.00 0.00 0.00 179.25 180.34 3m1r h LYS 202 N 0.05 1.09 -0.99 0.00 1.57 -1.00 -1.66 116.57 115.63 3m1r h LYS 202 Ca 0.05 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 58.82 3m1r h LYS 202 Cb 0.26 -0.25 -0.06 0.00 0.08 0.00 0.00 32.23 32.26 3m1r h LYS 202 CO 0.00 0.72 0.64 0.87 -0.57 0.00 0.00 179.45 181.12 3m1r h LYS 203 N 1.12 1.15 -0.28 3.15 6.56 -0.95 0.15 116.57 127.48 3m1r h LYS 203 Ca 0.37 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.89 3m1r h LYS 203 Cb 0.05 -0.26 0.00 0.00 -0.57 0.00 0.00 32.23 31.45 3m1r h LYS 203 CO -0.12 0.76 0.00 0.72 -2.06 0.00 0.00 179.45 178.76 3m1r n HIS 204 N -4.48 0.37 -2.27 -1.35 8.25 -0.82 -4.91 115.22 110.01 3m1r n HIS 204 Ca 0.14 -0.18 -0.19 0.00 -0.26 0.00 0.00 57.72 57.23 3m1r n HIS 204 Cb 0.15 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.24 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 0.29 -5.48 -4.75 0.41 3.02 0.04 -3.49 115.26 105.30 3m1r n ASN 205 Ca 0.09 0.04 -0.42 0.00 -0.03 0.00 0.00 54.58 54.26 3m1r n ASN 205 Cb 0.23 -4.54 -0.01 0.00 -0.61 0.00 0.00 39.78 34.85 3m1r n ASN 205 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3m1r n VAL 206 N -3.85 1.60 -2.58 2.41 0.31 -0.69 -3.35 118.33 112.19 3m1r n VAL 206 Ca -0.22 -0.40 -0.41 0.00 -0.01 0.00 0.00 64.34 63.30 3m1r n VAL 206 Cb 0.67 -1.87 -0.03 0.00 -0.91 0.00 0.00 33.84 31.70 3m1r n VAL 206 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3m1r s ASN 207 N 0.08 6.18 -0.29 4.52 0.01 -0.49 -4.77 114.94 120.18 3m1r s ASN 207 Ca 0.58 -0.54 -0.12 0.00 -0.71 0.00 0.00 52.86 52.06 3m1r s ASN 207 Cb -0.51 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 38.56 3m1r s ASN 207 CO 0.57 -1.79 0.25 -0.63 -1.51 0.00 0.00 177.10 173.99 3m1r s ILE 208 N 5.57 5.27 -0.24 0.60 1.01 -1.26 -0.81 121.20 131.33 3m1r s ILE 208 Ca 0.35 0.21 0.02 0.00 0.00 0.00 0.00 60.65 61.23 3m1r s ILE 208 Cb -0.08 -3.61 0.05 0.00 0.01 0.00 0.00 42.46 38.83 3m1r s ILE 208 CO 0.13 0.18 -0.13 -1.00 0.00 0.00 0.00 174.94 174.12 3m1r s HIS 209 N 1.85 3.07 0.00 3.97 3.76 -0.37 -4.99 115.29 122.57 3m1r s HIS 209 Ca 0.09 -2.11 0.00 0.00 -0.15 0.00 0.00 55.06 52.89 3m1r s HIS 209 Cb -0.16 -1.90 0.00 0.00 1.11 0.00 0.00 32.58 31.63 3m1r s HIS 209 CO 0.11 -0.85 0.00 0.25 -0.85 0.00 0.00 174.74 173.40 3m1r n THR 210 N 4.50 0.00 -0.54 1.30 -2.24 -1.26 -1.68 114.28 114.35 3m1r n THR 210 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3m1r n THR 210 Cb 0.44 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 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 -0.03 0.00 3.42 9.92 -1.26 -4.59 116.55 124.01 3m1r n ASP 212 Ca 0.00 0.02 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 3m1r n ASP 212 Cb 0.00 -0.26 0.00 0.00 -0.64 0.00 0.00 41.12 40.22 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 -0.53 0.00 0.29 0.53 5.41 -1.26 -1.38 119.36 122.42 3m1r n ILE 214 Ca 0.00 0.00 0.18 0.00 1.00 0.00 0.00 62.75 63.93 3m1r n ILE 214 Cb 0.02 0.00 0.76 0.00 -0.71 0.00 0.00 39.64 39.70 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 0.13 0.38 2.47 -1.90 0.27 114.38 115.73 3m1r h ARG 215 Ca 0.00 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.42 3m1r h ARG 215 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3m1r h ARG 215 CO 0.00 0.00 -1.40 1.49 0.56 0.00 0.00 179.97 180.62 3m1r h GLU 216 N 0.00 0.28 0.00 0.04 4.57 -1.61 -3.40 114.58 114.46 3m1r h GLU 216 Ca 0.00 -0.49 -0.06 0.00 -1.18 0.00 0.00 59.36 57.63 3m1r h GLU 216 Cb 0.43 0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.19 3m1r h GLU 216 CO 0.00 1.19 -1.64 1.17 -1.18 0.00 0.00 179.01 178.55 3m1r n LYS 217 N -3.51 0.87 0.00 1.92 3.00 -1.09 -5.12 118.16 114.22 3m1r n LYS 217 Ca -0.13 -0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.10 3m1r n LYS 217 Cb 1.04 -1.30 0.00 0.00 0.00 0.00 0.00 35.03 34.77 3m1r n LYS 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3m1r n GLY 218 N 1.92 2.03 0.17 3.14 0.00 0.93 -4.53 105.19 108.85 3m1r n GLY 218 Ca -0.07 -1.68 -0.15 0.00 0.00 0.00 0.00 46.02 44.12 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 0.61 -0.05 0.99 5.85 -1.97 -2.07 115.31 118.67 3m1r h LEU 219 Ca 0.00 -0.59 -0.01 0.00 0.84 0.00 0.00 57.88 58.12 3m1r h LEU 219 Cb 0.00 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 3m1r h LEU 219 CO 0.00 1.09 0.01 0.40 -0.34 0.00 0.00 178.44 179.60 3m1r h ILE 220 N 0.16 1.22 -0.98 4.05 1.08 -1.93 -0.70 117.51 120.40 3m1r h ILE 220 Ca -0.01 -0.66 0.08 0.00 -0.39 0.00 0.00 64.86 63.89 3m1r h ILE 220 Cb 1.03 1.57 -0.07 0.00 -3.07 0.00 0.00 36.82 36.28 3m1r h ILE 220 CO 0.09 0.18 0.62 -0.65 -0.69 0.00 0.00 178.15 177.70 3m1r h PRO 221 N -0.17 1.05 -0.06 2.37 0.11 -1.79 0.19 132.00 133.70 3m1r h PRO 221 Ca 0.01 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.98 3m1r h PRO 221 Cb 0.28 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 3m1r h PRO 221 CO 0.00 0.69 -0.32 0.00 -0.21 0.00 0.00 178.00 178.16 3m1r h THR 222 N 1.08 1.25 -0.28 -1.15 1.03 -1.09 -2.63 112.91 111.12 3m1r h THR 222 Ca 0.44 -1.21 -0.06 0.00 -0.01 0.00 0.00 66.41 65.58 3m1r h THR 222 Cb 0.27 1.57 -0.01 0.00 -1.07 0.00 0.00 68.15 68.91 3m1r h THR 222 CO -0.20 0.35 -0.04 0.40 -0.01 0.00 0.00 175.52 176.02 3m1r h ILE 223 N 0.10 1.27 0.00 0.00 2.04 0.46 -2.53 117.51 118.84 3m1r h ILE 223 Ca 0.01 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 64.84 3m1r h ILE 223 Cb 0.63 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 3m1r h ILE 223 CO 0.05 0.33 0.00 0.11 0.00 0.00 0.00 178.15 178.63 3m1r h LYS 224 N 0.30 0.00 0.10 2.37 1.57 -0.38 -1.53 116.57 118.99 3m1r h LYS 224 Ca 0.08 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.48 3m1r h LYS 224 Cb 0.50 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 3m1r h LYS 224 CO 0.02 0.00 -2.10 -1.91 -0.57 0.00 0.00 179.45 174.89 3m1r n GLU 225 N -2.84 0.74 -0.04 3.15 2.13 -1.02 -4.51 120.64 118.25 3m1r n GLU 225 Ca -0.02 0.24 -0.15 0.00 0.66 0.00 0.00 57.16 57.88 3m1r n GLU 225 Cb 0.08 -1.67 -0.14 0.00 0.27 0.00 0.00 31.44 29.98 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 -3.43 1.63 0.00 6.31 0.13 -0.97 -4.61 119.36 118.41 3m1r n ILE 226 Ca -0.35 -0.72 -0.10 0.00 -1.10 0.00 0.00 62.75 60.49 3m1r n ILE 226 Cb 1.04 -1.28 -0.04 0.00 -0.84 0.00 0.00 39.64 38.52 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 0.03 -0.32 -1.59 9.51 5.85 -1.51 -2.47 115.31 124.80 3m1r h LEU 227 Ca -0.42 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.44 3m1r h LEU 227 Cb 2.04 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 43.19 3m1r h LEU 227 CO 0.05 -0.14 0.39 -0.65 -0.34 0.00 0.00 178.44 177.75 3m1r h PRO 228 N -0.12 0.47 -0.13 5.25 0.11 -1.81 0.88 132.00 136.64 3m1r h PRO 228 Ca 0.08 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 3m1r h PRO 228 Cb 0.23 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 3m1r h PRO 228 CO -0.18 0.31 0.07 0.28 -0.21 0.00 0.00 178.00 178.26 3m1r h VAL 229 N 0.48 1.10 -0.16 3.15 2.07 -1.71 -1.44 116.25 119.75 3m1r h VAL 229 Ca 0.26 -0.28 -0.12 0.00 0.82 0.00 0.00 66.70 67.38 3m1r h VAL 229 Cb 0.40 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3m1r h VAL 229 CO -0.07 0.09 -0.42 0.58 0.02 0.00 0.00 177.57 177.77 3m1r h VAL 230 N 0.10 1.31 -0.20 2.57 2.07 -0.98 -2.70 116.25 118.41 3m1r h VAL 230 Ca 0.04 -1.56 -0.09 0.00 0.82 0.00 0.00 66.70 65.92 3m1r h VAL 230 Cb 0.08 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 3m1r h VAL 230 CO -0.01 0.48 -0.25 1.56 0.02 0.00 0.00 177.57 179.37 3m1r h GLN 231 N 0.30 0.37 0.00 1.57 4.20 -0.76 -2.11 115.11 118.68 3m1r h GLN 231 Ca 0.03 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 3m1r h GLN 231 Cb 0.86 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.61 3m1r h GLN 231 CO 0.07 0.60 -0.04 0.22 -0.67 0.00 0.00 178.83 179.01 3m1r h ASP 232 N 0.33 0.00 -0.33 1.46 3.58 -0.92 -2.63 116.42 117.91 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 0.62 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.67 3m1r h ASP 232 CO 0.04 0.04 0.00 2.29 -2.88 0.00 0.00 179.24 178.73 3m1r n LYS 233 N -4.38 3.02 -4.17 0.28 2.85 -0.83 -5.00 118.16 109.92 3m1r n LYS 233 Ca -0.03 -2.55 -0.11 0.00 -1.05 0.00 0.00 58.31 54.57 3m1r n LYS 233 Cb 0.12 -1.64 -0.10 0.00 -0.65 0.00 0.00 35.03 32.76 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 -2.05 0.27 -0.19 0.58 -4.23 -0.96 -4.96 115.64 104.10 3m1r s THR 234 Ca 0.36 -1.93 0.18 0.00 -1.18 0.00 0.00 61.69 59.12 3m1r s THR 234 Cb 0.26 -2.05 -0.25 0.00 1.34 0.00 0.00 72.50 71.80 3m1r s THR 234 CO 0.13 -0.49 0.10 0.47 -0.54 0.00 0.00 174.62 174.29 3m1r n ASP 235 N -0.13 0.02 -4.09 3.99 8.00 -0.11 -4.84 116.55 119.40 3m1r n ASP 235 Ca -0.06 0.01 -0.11 0.00 0.71 0.00 0.00 54.79 55.34 3m1r n ASP 235 Cb 0.63 1.00 -0.11 0.00 -0.02 0.00 0.00 41.12 42.63 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 -2.53 0.65 -0.09 1.24 0.40 -0.86 -4.81 117.98 111.99 3m1r s PHE 236 Ca -0.10 -0.72 0.01 0.00 -0.60 0.00 0.00 56.93 55.53 3m1r s PHE 236 Cb 0.06 -0.40 -0.02 0.00 0.51 0.00 0.00 43.02 43.17 3m1r s PHE 236 CO 0.83 -0.16 -0.10 0.42 0.70 0.00 0.00 175.22 176.91 3m1r s ILE 237 N -2.45 3.38 -0.08 0.64 1.01 -0.11 -0.10 121.20 123.50 3m1r s ILE 237 Ca -0.02 -0.58 0.04 0.00 0.00 0.00 0.00 60.65 60.09 3m1r s ILE 237 Cb -0.03 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 40.06 3m1r s ILE 237 CO -0.03 0.56 -0.19 0.12 0.00 0.00 0.00 174.94 175.41 3m1r s PHE 238 N -0.35 2.04 -0.30 3.97 5.36 -0.01 0.87 117.98 129.56 3m1r s PHE 238 Ca 0.04 -0.77 -0.10 0.00 -0.96 0.00 0.00 56.93 55.15 3m1r s PHE 238 Cb -0.12 -1.40 -0.02 0.00 -0.34 0.00 0.00 43.02 41.14 3m1r s PHE 238 CO 0.02 -0.32 0.16 0.42 -1.46 0.00 0.00 175.22 174.05 3m1r s ILE 239 N 0.38 4.84 -0.41 3.12 1.01 -0.50 -1.06 121.20 128.57 3m1r s ILE 239 Ca -0.14 -0.21 -0.06 0.00 0.00 0.00 0.00 60.65 60.24 3m1r s ILE 239 Cb -0.16 -3.40 0.10 0.00 0.01 0.00 0.00 42.46 39.01 3m1r s ILE 239 CO 0.06 0.14 0.22 -0.55 0.00 0.00 0.00 174.94 174.81 3m1r s SER 240 N 1.67 5.40 -0.41 3.58 0.15 -0.45 -1.11 113.70 122.53 3m1r s SER 240 Ca 0.06 -1.79 -0.19 0.00 0.70 0.00 0.00 55.95 54.73 3m1r s SER 240 Cb -0.17 -1.89 0.02 0.00 -1.71 0.00 0.00 66.02 62.27 3m1r s SER 240 CO 0.08 -0.54 0.54 -0.69 1.20 0.00 0.00 173.24 173.82 3m1r s VAL 241 N 1.27 4.97 0.00 4.45 1.01 -0.08 -1.34 120.40 130.67 3m1r s VAL 241 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.02 3m1r s VAL 241 Cb -0.23 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.06 3m1r s VAL 241 CO -0.02 -0.44 0.00 -0.67 0.00 0.00 0.00 175.10 173.97 3m1r n ASP 242 N 5.89 0.00 0.00 3.32 -0.08 -0.75 -1.19 116.55 123.74 3m1r n ASP 242 Ca -0.04 -0.36 0.00 0.00 -1.51 0.00 0.00 54.79 52.87 3m1r n ASP 242 Cb 0.48 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.94 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 -1.09 0.00 0.27 1.67 5.68 -1.26 -4.50 116.55 117.31 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 -0.04 0.67 0.00 -1.14 0.00 0.00 41.12 40.61 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 0.18 -3.98 2.12 3.04 -1.88 -3.39 116.25 112.34 3m1r h VAL 245 Ca 0.00 -0.63 -0.46 0.00 -1.01 0.00 0.00 66.70 64.61 3m1r h VAL 245 Cb 0.00 1.53 -0.02 0.00 -2.01 0.00 0.00 31.29 30.79 3m1r h VAL 245 CO 0.00 0.06 0.35 -0.76 -1.01 0.00 0.00 177.57 176.21 3m1r s LEU 246 N -6.42 4.13 0.46 3.16 1.43 -1.26 -1.25 118.68 118.93 3m1r s LEU 246 Ca 0.00 1.77 -0.23 0.00 -1.03 0.00 0.00 54.13 54.65 3m1r s LEU 246 Cb 0.10 -4.29 -0.09 0.00 0.03 0.00 0.00 46.19 41.94 3m1r s LEU 246 CO 0.56 -0.24 1.02 -0.67 0.23 0.00 0.00 176.35 177.25 3m1r n ASP 247 N -0.07 1.26 0.02 2.29 2.03 0.13 -4.64 116.55 117.56 3m1r n ASP 247 Ca 0.05 0.99 0.13 0.00 0.52 0.00 0.00 54.79 56.48 3m1r n ASP 247 Cb 0.52 -1.37 0.58 0.00 -0.72 0.00 0.00 41.12 40.13 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 1.38 0.21 0.00 -0.67 3.07 -1.72 0.76 115.11 118.13 3m1r h GLN 248 Ca -0.46 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.27 3m1r h GLN 248 Cb 1.34 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.85 3m1r h GLN 248 CO 0.56 0.14 0.00 0.66 0.09 0.00 0.00 178.83 180.28 3m1r h SER 249 N 0.21 0.00 0.00 0.06 4.64 -1.89 -2.42 113.55 114.15 3m1r h SER 249 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3m1r h SER 249 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3m1r h SER 249 CO -0.04 0.00 -1.64 1.41 -0.87 0.00 0.00 176.83 175.70 3m1r n HIS 250 N -2.98 0.00 -3.15 4.77 8.25 0.13 -4.72 115.22 117.52 3m1r n HIS 250 Ca 0.01 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.25 3m1r n HIS 250 Cb 0.31 -0.33 -0.06 0.00 1.12 0.00 0.00 29.99 31.03 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 -1.99 1.97 0.25 -1.41 0.00 -0.46 -4.75 120.51 114.12 3m1r n ALA 251 Ca -0.02 -3.12 0.10 0.00 0.00 0.00 0.00 53.44 50.40 3m1r n ALA 251 Cb 0.44 -0.87 0.67 0.00 0.00 0.00 0.00 19.45 19.68 3m1r n ALA 251 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3m1r h PRO 252 N 4.15 0.00 -0.94 0.00 0.11 -1.70 -3.15 132.00 130.47 3m1r h PRO 252 Ca 0.06 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.12 3m1r h PRO 252 Cb 0.90 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.98 3m1r h PRO 252 CO 0.43 0.11 0.06 0.41 -0.21 0.00 0.00 178.00 178.81 3m1r n GLY 253 N -1.00 2.14 3.88 -0.55 0.00 -1.26 -4.64 105.19 103.76 3m1r n GLY 253 Ca -0.02 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 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 4.68 0.96 -4.07 0.00 0.11 -1.89 -3.33 132.00 128.45 3m1r h PRO 255 Ca -0.53 -0.06 -0.75 0.00 0.11 0.00 0.00 66.00 64.77 3m1r h PRO 255 Cb 1.22 -0.22 -0.27 0.00 0.11 0.00 0.00 31.00 31.85 3m1r h PRO 255 CO 0.61 0.63 -0.22 0.00 -0.21 0.00 0.00 178.00 178.81 3m1r s ALA 256 N -6.06 3.65 0.10 -0.75 0.00 -1.26 -5.03 121.76 112.41 3m1r s ALA 256 Ca -0.13 -2.73 0.06 0.00 0.00 0.00 0.00 51.96 49.16 3m1r s ALA 256 Cb 0.19 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 3m1r s ALA 256 CO 0.79 -2.04 -0.03 0.96 0.00 0.00 0.00 175.76 175.44 3m1r s ILE 257 N 1.15 3.84 0.09 0.00 -4.36 -1.25 -4.79 121.20 115.88 3m1r s ILE 257 Ca 0.08 -1.08 -0.27 0.00 -0.26 0.00 0.00 60.65 59.12 3m1r s ILE 257 Cb -0.24 -2.82 0.08 0.00 1.25 0.00 0.00 42.46 40.73 3m1r s ILE 257 CO -0.01 0.11 1.06 -0.83 0.24 0.00 0.00 174.94 175.51 3m1r s GLY 258 N -2.31 -0.30 0.70 6.27 0.00 -1.26 -4.99 107.32 105.44 3m1r s GLY 258 Ca 0.25 0.36 -0.11 0.00 0.00 0.00 0.00 44.72 45.21 3m1r s GLY 258 CO 0.17 0.06 1.09 2.56 0.00 0.00 0.00 173.10 176.98 3m1r s PRO 259 N -3.00 2.90 0.00 2.90 0.04 -1.26 -2.22 135.00 134.36 3m1r s PRO 259 Ca 0.12 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.62 3m1r s PRO 259 Cb 0.01 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.51 3m1r s PRO 259 CO -0.00 -1.00 0.00 0.41 0.04 0.00 0.00 177.00 176.45 3m1r n GLY 260 N -2.98 0.74 0.28 0.56 0.00 -1.26 -4.92 105.19 97.60 3m1r n GLY 260 Ca 0.07 -0.69 -0.02 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.22 2.61 3.75 -0.02 0.00 -1.26 -4.94 105.19 104.11 3m1r n GLY 261 Ca 0.00 -2.16 -0.33 0.00 0.00 0.00 0.00 46.02 43.53 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 3.27 0.06 0.99 1.43 -0.38 -4.13 118.68 119.92 3m1r s LEU 262 Ca 0.03 2.12 -0.00 0.00 -1.03 0.00 0.00 54.13 55.24 3m1r s LEU 262 Cb -0.00 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.62 3m1r s LEU 262 CO 0.02 -2.02 0.21 -0.31 0.23 0.00 0.00 176.35 174.48 3m1r s TYR 263 N -2.31 3.52 0.27 0.29 1.51 -1.26 0.19 117.35 119.55 3m1r s TYR 263 Ca 0.69 0.26 -0.04 0.00 -1.01 0.00 0.00 57.07 56.97 3m1r s TYR 263 Cb -0.23 -1.77 0.33 0.00 -0.11 0.00 0.00 41.96 40.18 3m1r s TYR 263 CO 0.46 0.59 1.90 1.15 -1.11 0.00 0.00 175.55 178.54 3m1r h THR 264 N 2.11 1.24 -0.65 -0.71 2.02 -1.97 -2.06 112.91 112.88 3m1r h THR 264 Ca -0.45 -0.55 -0.06 0.00 0.77 0.00 0.00 66.41 66.11 3m1r h THR 264 Cb 1.16 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 3m1r h THR 264 CO 0.76 0.26 0.16 -2.24 0.37 0.00 0.00 175.52 174.83 3m1r h ASP 265 N 1.15 0.96 -0.13 4.18 3.04 -1.99 0.53 116.42 124.16 3m1r h ASP 265 Ca 0.29 -0.19 0.04 0.00 -3.24 0.00 0.00 57.03 53.94 3m1r h ASP 265 Cb -0.01 -0.25 -0.05 0.00 -1.04 0.00 0.00 39.33 37.98 3m1r h ASP 265 CO -0.05 0.93 -0.19 -0.33 -2.04 0.00 0.00 179.24 177.55 3m1r h GLU 266 N 0.98 -0.24 -0.36 4.15 5.08 -1.81 -1.68 114.58 120.70 3m1r h GLU 266 Ca 0.21 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 3m1r h GLU 266 Cb 0.34 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3m1r h GLU 266 CO -0.00 -0.16 0.20 1.25 -1.00 0.00 0.00 179.01 179.31 3m1r h LEU 267 N -0.25 0.45 -0.32 1.33 5.85 -0.90 -1.94 115.31 119.52 3m1r h LEU 267 Ca 0.10 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.78 3m1r h LEU 267 Cb 0.39 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 3m1r h LEU 267 CO -0.27 0.40 0.11 -0.07 -0.34 0.00 0.00 178.44 178.26 3m1r h LEU 268 N 0.46 0.11 -0.55 2.25 4.07 -0.73 0.28 115.31 121.20 3m1r h LEU 268 Ca 0.13 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 58.11 3m1r h LEU 268 Cb 0.04 0.03 -0.03 0.00 1.08 0.00 0.00 40.66 41.78 3m1r h LEU 268 CO -0.02 0.10 0.27 -0.08 -1.08 0.00 0.00 178.44 177.63 3m1r h GLU 269 N 0.25 0.79 -0.69 1.13 4.81 -1.16 -1.38 114.58 118.32 3m1r h GLU 269 Ca 0.15 -0.11 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3m1r h GLU 269 Cb 0.12 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 3m1r h GLU 269 CO -0.15 0.64 0.46 0.00 -0.73 0.00 0.00 179.01 179.22 3m1r h ALA 270 N 1.11 0.88 -0.33 2.92 0.00 -0.87 -0.69 119.26 122.28 3m1r h ALA 270 Ca 0.19 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 3m1r h ALA 270 Cb 0.11 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3m1r h ALA 270 CO -0.03 0.29 -0.47 0.28 0.00 0.00 0.00 179.25 179.32 3m1r h VAL 271 N 0.93 1.27 -0.75 0.00 2.07 -0.68 -1.70 116.25 117.39 3m1r h VAL 271 Ca 0.26 -1.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.07 3m1r h VAL 271 Cb -0.09 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 3m1r h VAL 271 CO -0.06 0.55 0.27 0.07 0.02 0.00 0.00 177.57 178.41 3m1r h LYS 272 N 0.70 1.15 -0.40 1.57 5.09 -1.07 -0.55 116.57 123.06 3m1r h LYS 272 Ca 0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 60.65 60.54 3m1r h LYS 272 Cb 1.07 -0.18 -0.02 0.00 0.10 0.00 0.00 32.23 33.21 3m1r h LYS 272 CO 0.11 0.96 0.22 -0.92 -2.09 0.00 0.00 179.45 177.72 3m1r h TYR 273 N 1.10 0.55 -0.51 0.07 3.20 -0.88 -2.55 116.97 117.96 3m1r h TYR 273 Ca 0.25 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.01 3m1r h TYR 273 Cb 0.27 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 3m1r h TYR 273 CO 0.02 0.43 -0.06 0.82 -1.64 0.00 0.00 178.16 177.73 3m1r h ILE 274 N 0.51 1.27 0.00 1.81 2.04 -1.22 -3.00 117.51 118.92 3m1r h ILE 274 Ca 0.14 -1.18 0.00 0.00 1.00 0.00 0.00 64.86 64.82 3m1r h ILE 274 Cb 0.06 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 3m1r h ILE 274 CO -0.02 0.41 0.00 0.00 0.00 0.00 0.00 178.15 178.54 3m1r h ALA 275 N 0.92 1.00 0.00 1.87 0.00 -0.87 -1.01 119.26 121.17 3m1r h ALA 275 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3m1r h ALA 275 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3m1r h ALA 275 CO 0.04 0.00 0.00 1.96 0.00 0.00 0.00 179.25 181.25 3m1r h GLN 276 N 0.00 0.00 -7.32 0.00 4.20 -1.31 -3.45 115.11 107.23 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 0.15 0.00 0.14 0.00 0.30 0.00 0.00 27.48 28.07 3m1r h GLN 276 CO 0.00 0.00 0.30 -0.65 -0.67 0.00 0.00 178.83 177.81 3m1r s GLN 277 N -3.35 1.93 0.40 1.46 -1.52 -0.39 -4.41 119.66 113.79 3m1r s GLN 277 Ca 0.05 1.07 -0.27 0.00 -1.95 0.00 0.00 55.36 54.27 3m1r s GLN 277 Cb 0.09 -1.87 -0.09 0.00 -0.22 0.00 0.00 33.01 30.92 3m1r s GLN 277 CO 0.55 -1.84 1.37 -2.14 -0.25 0.00 0.00 175.29 172.98 3m1r s PRO 278 N -4.91 4.00 -1.14 2.91 0.02 -1.26 -3.98 135.00 130.65 3m1r s PRO 278 Ca 0.62 2.32 -0.05 0.00 0.02 0.00 0.00 61.00 63.91 3m1r s PRO 278 Cb -0.17 -2.83 0.01 0.00 0.02 0.00 0.00 34.50 31.52 3m1r s PRO 278 CO 0.56 -0.52 0.61 0.09 -0.33 0.00 0.00 177.00 177.41 3m1r n ASN 279 N 0.24 -5.16 -4.63 2.53 5.03 -1.26 -4.69 115.26 107.32 3m1r n ASN 279 Ca 0.03 -0.28 -0.43 0.00 0.87 0.00 0.00 54.58 54.77 3m1r n ASN 279 Cb 0.42 -3.93 -0.03 0.00 -1.02 0.00 0.00 39.78 35.23 3m1r n ASN 279 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3m1r s VAL 280 N -3.10 3.71 -0.31 2.41 1.01 -1.26 -0.93 120.40 121.94 3m1r s VAL 280 Ca 0.30 0.81 0.23 0.00 0.00 0.00 0.00 61.98 63.32 3m1r s VAL 280 Cb -0.13 -3.72 0.05 0.00 0.00 0.00 0.00 36.38 32.57 3m1r s VAL 280 CO 0.38 -0.29 1.15 0.00 0.00 0.00 0.00 175.10 176.33 3m1r h ALA 281 N 10.62 0.57 0.00 5.51 0.00 0.11 -3.47 119.26 132.61 3m1r h ALA 281 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3m1r h ALA 281 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3m1r h ALA 281 CO 1.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.66 3m1r n GLY 282 N 1.19 0.65 2.97 0.00 0.00 -1.23 -3.61 105.19 105.15 3m1r n GLY 282 Ca 0.01 -0.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.96 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 0.04 0.09 -0.61 2.07 -0.32 -1.41 121.20 119.06 3m1r s ILE 283 Ca 0.00 -0.37 0.06 0.00 -1.41 0.00 0.00 60.65 58.93 3m1r s ILE 283 Cb 0.00 -0.19 -0.03 0.00 0.13 0.00 0.00 42.46 42.37 3m1r s ILE 283 CO 0.00 -0.20 -0.16 -1.83 -1.91 0.00 0.00 174.94 170.84 3m1r s GLU 284 N -0.62 0.94 -0.14 3.50 -1.05 -0.26 0.62 118.70 121.69 3m1r s GLU 284 Ca -0.07 -1.07 0.01 0.00 -0.15 0.00 0.00 54.97 53.69 3m1r s GLU 284 Cb -0.04 -0.99 0.02 0.00 -0.44 0.00 0.00 34.13 32.68 3m1r s GLU 284 CO -0.00 0.22 -0.14 0.42 0.95 0.00 0.00 175.26 176.70 3m1r s ILE 285 N -1.43 1.55 0.21 1.83 1.01 -0.13 -0.90 121.20 123.33 3m1r s ILE 285 Ca 0.03 -0.63 0.07 0.00 0.00 0.00 0.00 60.65 60.12 3m1r s ILE 285 Cb -0.09 -1.44 -0.05 0.00 0.01 0.00 0.00 42.46 40.89 3m1r s ILE 285 CO 0.03 0.45 -0.13 0.68 0.00 0.00 0.00 174.94 175.97 3m1r s VAL 286 N 1.35 1.69 -0.59 2.92 -7.23 -0.33 -0.65 120.40 117.56 3m1r s VAL 286 Ca 0.02 -2.19 0.00 0.00 -1.81 0.00 0.00 61.98 57.99 3m1r s VAL 286 Cb -0.13 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.72 3m1r s VAL 286 CO -0.08 -0.56 0.00 -0.62 -0.31 0.00 0.00 175.10 173.53 3m1r n GLU 287 N -0.40 -0.48 -2.57 4.82 -0.58 -0.75 -4.52 120.64 116.17 3m1r n GLU 287 Ca -0.08 0.65 -0.42 0.00 -0.42 0.00 0.00 57.16 56.89 3m1r n GLU 287 Cb 0.61 -4.38 -0.03 0.00 -0.57 0.00 0.00 31.44 27.07 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 -2.16 4.50 -0.37 2.62 1.01 -1.26 -4.24 120.40 120.50 3m1r s VAL 288 Ca 0.00 1.80 0.03 0.00 0.00 0.00 0.00 61.98 63.80 3m1r s VAL 288 Cb 0.00 -4.16 0.11 0.00 0.00 0.00 0.00 36.38 32.33 3m1r s VAL 288 CO 0.00 0.01 0.12 -0.62 0.00 0.00 0.00 175.10 174.61 3m1r s ASP 289 N 1.28 4.40 0.53 3.32 -1.08 0.15 -4.07 116.67 121.21 3m1r s ASP 289 Ca 0.52 -2.23 0.18 0.00 -0.52 0.00 0.00 52.55 50.50 3m1r s ASP 289 Cb -0.22 -1.39 1.33 0.00 -1.46 0.00 0.00 42.92 41.18 3m1r s ASP 289 CO 0.21 -0.35 2.16 -0.65 0.52 0.00 0.00 175.17 177.05 3m1r h PRO 290 N 7.44 0.00 0.00 4.34 0.11 -1.79 -0.42 132.00 141.69 3m1r h PRO 290 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3m1r h PRO 290 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3m1r h PRO 290 CO 0.53 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.57 3m1r n THR 291 N -4.46 0.78 0.50 -1.15 -2.24 -1.26 -2.39 114.28 104.05 3m1r n THR 291 Ca -0.03 0.15 0.06 0.00 -2.27 0.00 0.00 64.05 61.96 3m1r n THR 291 Cb 0.10 -0.98 0.04 0.00 -2.10 0.00 0.00 70.33 67.39 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 -1.96 1.88 -4.88 3.22 4.77 -0.18 -5.05 117.00 114.80 3m1r n LEU 292 Ca 0.03 -0.96 -0.30 0.00 -0.03 0.00 0.00 56.01 54.75 3m1r n LEU 292 Cb 0.25 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.38 3m1r n LEU 292 CO 0.20 0.36 0.74 -0.62 -1.33 0.00 0.00 177.39 176.73 3m1r s ASP 293 N -1.07 5.49 -0.28 -1.43 -1.08 -1.00 -4.22 116.67 113.09 3m1r s ASP 293 Ca 0.13 1.12 -0.15 0.00 -0.52 0.00 0.00 52.55 53.13 3m1r s ASP 293 Cb 0.10 -1.94 -0.03 0.00 -1.46 0.00 0.00 42.92 39.58 3m1r s ASP 293 CO 0.17 -1.30 0.38 0.12 0.52 0.00 0.00 175.17 175.06 3m1r s PHE 294 N -3.33 3.24 0.00 -5.34 2.19 -1.26 -4.91 117.98 108.57 3m1r s PHE 294 Ca 0.58 0.38 0.00 0.00 0.33 0.00 0.00 56.93 58.22 3m1r s PHE 294 Cb -0.11 -2.59 0.00 0.00 -1.31 0.00 0.00 43.02 39.01 3m1r s PHE 294 CO 0.51 -0.25 0.00 0.54 1.83 0.00 0.00 175.22 177.85 3m1r n ARG 295 N 5.35 0.00 -4.08 10.12 1.74 -1.26 -4.63 116.66 123.90 3m1r n ARG 295 Ca -0.08 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.67 3m1r n ARG 295 Cb 0.51 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.79 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 4.04 0.00 0.55 -4.77 -1.26 -4.99 116.67 106.24 3m1r s ASP 296 Ca 0.00 -1.17 0.00 0.00 -3.30 0.00 0.00 52.55 48.08 3m1r s ASP 296 Cb 0.00 -1.53 0.00 0.00 -1.09 0.00 0.00 42.92 40.30 3m1r s ASP 296 CO 0.00 -0.13 0.00 0.41 0.70 0.00 0.00 175.17 176.15 3m1r n THR 298 N 4.49 0.00 0.12 2.11 -1.04 -1.26 0.05 114.28 118.74 3m1r n THR 298 Ca -0.16 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.84 3m1r n THR 298 Cb 0.44 0.00 0.26 0.00 -1.82 0.00 0.00 70.33 69.21 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 0.19 -0.08 8.00 0.02 -1.94 -0.79 113.55 118.96 3m1r h SER 299 Ca 0.00 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 3m1r h SER 299 Cb 0.00 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 3m1r h SER 299 CO 0.00 0.57 -0.01 0.03 -1.14 0.00 0.00 176.83 176.28 3m1r h ARG 300 N 0.16 0.14 -0.65 3.45 3.08 -0.72 -1.01 114.38 118.82 3m1r h ARG 300 Ca 0.02 -0.05 0.13 0.00 0.07 0.00 0.00 59.98 60.15 3m1r h ARG 300 Cb 0.76 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.71 3m1r h ARG 300 CO 0.06 0.42 0.16 0.00 -1.07 0.00 0.00 179.97 179.54 3m1r h ALA 301 N 0.71 0.81 -0.59 0.04 0.00 -1.76 -1.03 119.26 117.43 3m1r h ALA 301 Ca 0.02 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3m1r h ALA 301 Cb 0.37 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3m1r h ALA 301 CO 0.00 -0.30 0.16 0.00 0.00 0.00 0.00 179.25 179.12 3m1r h ALA 302 N 1.52 1.17 -0.79 0.00 0.00 -1.00 -1.48 119.26 118.68 3m1r h ALA 302 Ca 0.35 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3m1r h ALA 302 Cb 0.54 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3m1r h ALA 302 CO -0.43 0.57 0.34 0.00 0.00 0.00 0.00 179.25 179.74 3m1r h ALA 303 N 1.30 1.12 -0.09 0.00 0.00 -0.11 -2.44 119.26 119.03 3m1r h ALA 303 Ca 0.19 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3m1r h ALA 303 Cb 0.29 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3m1r h ALA 303 CO -0.00 0.64 -0.47 0.45 0.00 0.00 0.00 179.25 179.86 3m1r h HIS 304 N 1.13 0.28 -0.56 0.00 3.86 -0.77 -1.59 115.15 117.51 3m1r h HIS 304 Ca 0.27 -0.09 0.08 0.00 -1.16 0.00 0.00 60.37 59.47 3m1r h HIS 304 Cb 0.16 -0.06 -0.06 0.00 1.06 0.00 0.00 27.41 28.51 3m1r h HIS 304 CO 0.02 0.67 0.22 0.28 0.86 0.00 0.00 177.93 179.97 3m1r h VAL 305 N 0.19 0.82 -0.53 2.45 2.07 -0.81 0.84 116.25 121.29 3m1r h VAL 305 Ca 0.01 -0.14 -0.11 0.00 0.82 0.00 0.00 66.70 67.28 3m1r h VAL 305 Cb 0.91 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3m1r h VAL 305 CO 0.07 0.08 -0.09 -0.07 0.02 0.00 0.00 177.57 177.58 3m1r h LEU 306 N 0.41 0.98 -0.51 2.57 3.38 -1.30 -0.47 115.31 120.36 3m1r h LEU 306 Ca 0.27 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3m1r h LEU 306 Cb 0.29 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3m1r h LEU 306 CO -0.26 1.08 0.25 -0.07 0.09 0.00 0.00 178.44 179.53 3m1r h LEU 307 N 0.88 0.67 -0.62 1.67 3.38 -0.69 -0.79 115.31 119.81 3m1r h LEU 307 Ca 0.14 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 3m1r h LEU 307 Cb 0.64 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3m1r h LEU 307 CO 0.04 0.61 -0.58 0.45 0.09 0.00 0.00 178.44 179.06 3m1r h HIS 308 N 0.69 0.45 0.09 1.13 3.86 -0.70 -0.47 115.15 120.19 3m1r h HIS 308 Ca 0.18 -0.16 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3m1r h HIS 308 Cb 0.11 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.50 3m1r h HIS 308 CO -0.01 0.85 -0.06 0.00 0.86 0.00 0.00 177.93 179.57 3m1r h ALA 309 N 1.12 -0.13 -0.91 2.45 0.00 -0.90 -1.36 119.26 119.52 3m1r h ALA 309 Ca -0.00 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.98 3m1r h ALA 309 Cb 1.09 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 3m1r h ALA 309 CO 0.10 -0.58 0.56 -0.07 0.00 0.00 0.00 179.25 179.25 3m1r h LEU 310 N -0.14 0.83 -0.19 0.00 4.07 -1.01 -1.99 115.31 116.89 3m1r h LEU 310 Ca -0.01 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.99 3m1r h LEU 310 Cb 0.12 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 3m1r h LEU 310 CO 0.00 0.48 0.12 0.50 -1.08 0.00 0.00 178.44 178.46 3m1r h LYS 311 N 0.94 0.25 -1.80 1.13 3.64 -0.85 -1.44 116.57 118.45 3m1r h LYS 311 Ca 0.43 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 3m1r h LYS 311 Cb 0.35 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3m1r h LYS 311 CO -0.23 0.19 0.00 0.41 -2.27 0.00 0.00 179.45 177.55 3m1r n GLY 312 N -1.07 0.59 1.06 5.01 0.00 -0.53 -1.81 105.19 108.45 3m1r n GLY 312 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 1.07 0.00 0.02 1.61 3.00 -0.54 -2.09 118.16 121.22 3m1r n LYS 314 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.44 3m1r n LYS 314 Cb 0.12 0.00 0.48 0.00 0.00 0.00 0.00 35.03 35.63 3m1r n LYS 314 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3m1r n LEU 315 N 0.00 0.27 -4.70 3.14 4.32 -0.75 -4.90 117.00 114.39 3m1r n LEU 315 Ca 0.00 0.39 -0.42 0.00 -0.02 0.00 0.00 56.01 55.96 3m1r n LEU 315 Cb 0.00 -0.40 -0.03 0.00 -1.62 0.00 0.00 43.42 41.37 3m1r n LEU 315 CO 0.00 -0.00 0.84 -0.94 -1.22 0.00 0.00 177.39 176.07 3m1r s SER 316 N -3.31 7.17 0.00 -1.43 1.04 -0.89 -5.05 113.70 111.23 3m1r s SER 316 Ca 0.12 1.76 0.00 0.00 0.48 0.00 0.00 55.95 58.32 3m1r s SER 316 Cb 0.17 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.73 3m1r s SER 316 CO 0.59 -0.46 0.38 -2.65 0.98 0.00 0.00 173.24 172.08