#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m1a h GLU 3 N 0.00 0.16 -0.02 4.33 4.57 -2.06 -2.54 114.58 119.02 3m1a h GLU 3 Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3m1a h GLU 3 Cb 0.00 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 3m1a h GLU 3 CO 0.00 0.19 -0.10 -1.13 -1.18 0.00 0.00 179.01 176.79 3m1a n SER 4 N -4.43 2.49 -4.78 1.04 3.41 -1.26 -4.99 113.62 105.11 3m1a n SER 4 Ca -0.01 -1.78 -0.35 0.00 -0.26 0.00 0.00 58.87 56.47 3m1a n SER 4 Cb 0.15 0.09 -0.01 0.00 -0.26 0.00 0.00 64.21 64.18 3m1a n SER 4 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3m1a s ALA 5 N -2.11 2.77 0.08 7.33 0.00 -0.96 -5.03 121.76 123.84 3m1a s ALA 5 Ca 0.28 0.76 0.09 0.00 0.00 0.00 0.00 51.96 53.09 3m1a s ALA 5 Cb 0.20 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 3m1a s ALA 5 CO 0.37 -0.61 -0.23 0.15 0.00 0.00 0.00 175.76 175.43 3m1a s LYS 6 N -3.24 1.75 -0.30 0.00 3.01 -1.26 -4.96 119.74 114.74 3m1a s LYS 6 Ca 0.71 -1.16 -0.19 0.00 -1.01 0.00 0.00 55.97 54.32 3m1a s LYS 6 Cb -0.22 -2.03 -0.01 0.00 -1.01 0.00 0.00 37.83 34.56 3m1a s LYS 6 CO 0.25 0.50 0.57 0.08 0.51 0.00 0.00 175.35 177.26 3m1a s VAL 7 N -0.96 4.99 -0.13 3.17 1.01 -1.26 -1.04 120.40 126.18 3m1a s VAL 7 Ca 0.14 0.76 -0.03 0.00 0.00 0.00 0.00 61.98 62.85 3m1a s VAL 7 Cb -0.10 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 3m1a s VAL 7 CO 0.05 -0.09 -0.03 0.26 0.00 0.00 0.00 175.10 175.29 3m1a s TRP 8 N 2.48 3.04 -0.25 5.22 0.52 0.01 -0.23 118.94 129.73 3m1a s TRP 8 Ca 0.23 -0.16 -0.01 0.00 0.02 0.00 0.00 56.10 56.18 3m1a s TRP 8 Cb -0.15 -1.90 0.03 0.00 -1.15 0.00 0.00 33.47 30.30 3m1a s TRP 8 CO 0.11 0.10 -0.07 -1.17 0.02 0.00 0.00 176.95 175.95 3m1a s LEU 9 N -0.00 3.25 -0.26 2.99 2.96 0.19 -0.61 118.68 127.20 3m1a s LEU 9 Ca 0.01 -1.00 -0.00 0.00 -0.22 0.00 0.00 54.13 52.92 3m1a s LEU 9 Cb -0.13 -1.64 0.04 0.00 0.50 0.00 0.00 46.19 44.96 3m1a s LEU 9 CO 0.03 -0.15 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.15 3m1a s VAL 10 N 1.27 2.64 0.31 1.68 1.01 0.12 -0.21 120.40 127.23 3m1a s VAL 10 Ca -0.02 -1.31 -0.27 0.00 0.00 0.00 0.00 61.98 60.39 3m1a s VAL 10 Cb -0.17 -2.44 -0.10 0.00 0.00 0.00 0.00 36.38 33.67 3m1a s VAL 10 CO -0.05 0.06 0.97 0.42 0.00 0.00 0.00 175.10 176.51 3m1a s THR 11 N 1.23 4.06 -0.74 3.92 -4.23 -0.81 -0.92 115.64 118.15 3m1a s THR 11 Ca -0.04 1.78 -0.04 0.00 -1.18 0.00 0.00 61.69 62.21 3m1a s THR 11 Cb -0.18 -4.02 0.00 0.00 1.34 0.00 0.00 72.50 69.64 3m1a s THR 11 CO -0.04 0.21 0.64 0.61 -0.54 0.00 0.00 174.62 175.50 3m1a n GLY 12 N 0.76 0.11 0.20 3.99 0.00 -0.47 -2.59 105.19 107.19 3m1a n GLY 12 Ca 0.01 -0.16 0.15 0.00 0.00 0.00 0.00 46.02 46.02 3m1a n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m1a n ALA 13 N -3.73 2.69 0.44 4.61 0.00 0.12 -4.18 120.51 120.46 3m1a n ALA 13 Ca -0.02 -0.31 0.12 0.00 0.00 0.00 0.00 53.44 53.24 3m1a n ALA 13 Cb 0.54 -1.33 0.20 0.00 0.00 0.00 0.00 19.45 18.87 3m1a n ALA 13 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3m1a h SER 14 N 0.99 0.00 -5.24 0.00 4.64 -1.87 -3.12 113.55 108.94 3m1a h SER 14 Ca 0.00 -0.08 -0.09 0.00 -0.47 0.00 0.00 61.79 61.15 3m1a h SER 14 Cb 0.30 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.27 3m1a h SER 14 CO 0.00 0.04 -0.27 -0.94 -0.87 0.00 0.00 176.83 174.80 3m1a s SER 15 N -4.86 -0.01 0.99 4.97 1.04 -1.26 -4.85 113.70 109.72 3m1a s SER 15 Ca 0.06 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.66 3m1a s SER 15 Cb 0.11 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.69 3m1a s SER 15 CO 0.69 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 174.59 3m1a n GLY 16 N -0.24 1.54 0.28 7.32 0.00 0.14 -2.70 105.19 111.54 3m1a n GLY 16 Ca -0.07 -0.54 0.01 0.00 0.00 0.00 0.00 46.02 45.42 3m1a n GLY 16 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3m1a h PHE 17 N 0.00 0.73 -0.29 1.61 3.57 -1.90 -1.54 116.94 119.12 3m1a h PHE 17 Ca 0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 3m1a h PHE 17 Cb 0.00 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 3m1a h PHE 17 CO 0.00 0.30 0.19 0.78 -2.23 0.00 0.00 178.31 177.35 3m1a h GLY 18 N 0.70 0.39 1.00 2.40 0.00 -1.75 -0.26 103.07 105.54 3m1a h GLY 18 Ca 0.35 -0.14 -0.13 0.00 0.00 0.00 0.00 47.33 47.41 3m1a h GLY 18 CO -0.23 0.14 -0.31 -0.09 0.00 0.00 0.00 176.54 176.04 3m1a h ARG 19 N 0.37 0.74 -0.77 4.80 9.65 -1.08 -1.62 114.38 126.46 3m1a h ARG 19 Ca 0.11 -0.39 -0.04 0.00 -1.10 0.00 0.00 59.98 58.55 3m1a h ARG 19 Cb -0.02 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.54 3m1a h ARG 19 CO -0.02 1.02 0.32 0.00 2.80 0.00 0.00 179.97 184.09 3m1a h ALA 20 N 0.71 1.11 -0.22 2.80 0.00 -0.76 0.74 119.26 123.65 3m1a h ALA 20 Ca 0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3m1a h ALA 20 Cb 0.89 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3m1a h ALA 20 CO 0.08 0.64 -0.03 0.82 0.00 0.00 0.00 179.25 180.76 3m1a h ILE 21 N 1.12 1.27 -0.29 0.00 2.04 -1.03 0.04 117.51 120.66 3m1a h ILE 21 Ca 0.26 -0.99 0.02 0.00 1.00 0.00 0.00 64.86 65.16 3m1a h ILE 21 Cb 0.18 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 3m1a h ILE 21 CO -0.02 0.30 0.13 0.00 0.00 0.00 0.00 178.15 178.56 3m1a h ALA 22 N 0.76 0.35 -0.61 1.87 0.00 -1.07 -1.12 119.26 119.44 3m1a h ALA 22 Ca 0.06 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3m1a h ALA 22 Cb 0.47 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3m1a h ALA 22 CO 0.02 -0.26 0.20 0.93 0.00 0.00 0.00 179.25 180.13 3m1a h GLU 23 N 0.28 0.94 -0.58 0.00 5.08 -0.74 -2.41 114.58 117.16 3m1a h GLU 23 Ca 0.13 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 3m1a h GLU 23 Cb 0.06 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 3m1a h GLU 23 CO -0.10 0.83 0.24 0.00 -1.00 0.00 0.00 179.01 178.97 3m1a h ALA 24 N 1.06 1.33 -0.19 3.43 0.00 -0.71 -2.10 119.26 122.08 3m1a h ALA 24 Ca 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3m1a h ALA 24 Cb 0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3m1a h ALA 24 CO -0.01 0.50 0.09 0.00 0.00 0.00 0.00 179.25 179.84 3m1a h ALA 25 N 1.44 0.25 -0.68 0.00 0.00 -0.83 -2.20 119.26 117.24 3m1a h ALA 25 Ca 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3m1a h ALA 25 Cb 0.15 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3m1a h ALA 25 CO -0.02 -0.19 0.35 -0.39 0.00 0.00 0.00 179.25 179.01 3m1a h VAL 26 N 0.18 1.22 -0.08 0.00 -1.51 -1.19 -1.45 116.25 113.43 3m1a h VAL 26 Ca 0.07 -0.59 -0.00 0.00 -1.23 0.00 0.00 66.70 64.94 3m1a h VAL 26 Cb 0.12 0.36 -0.00 0.00 -2.13 0.00 0.00 31.29 29.64 3m1a h VAL 26 CO -0.01 0.25 0.03 0.00 -1.23 0.00 0.00 177.57 176.62 3m1a h ALA 27 N 1.17 1.92 -0.09 5.19 0.00 -1.34 -1.70 119.26 124.39 3m1a h ALA 27 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3m1a h ALA 27 Cb 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3m1a h ALA 27 CO -0.03 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.29 3m1a n ALA 28 N -2.53 2.56 -0.58 0.00 0.00 -0.83 -4.88 120.51 114.24 3m1a n ALA 28 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.08 3m1a n ALA 28 Cb 0.10 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3m1a n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m1a n GLY 29 N 0.97 0.74 3.85 0.00 0.00 -0.64 -5.03 105.19 105.08 3m1a n GLY 29 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3m1a n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3m1a s ASP 30 N -2.40 4.62 -0.15 1.61 -0.00 -0.59 -4.68 116.67 115.09 3m1a s ASP 30 Ca 0.00 1.09 -0.05 0.00 -0.00 0.00 0.00 52.55 53.59 3m1a s ASP 30 Cb 0.00 -1.77 -0.03 0.00 -0.00 0.00 0.00 42.92 41.12 3m1a s ASP 30 CO 0.00 -1.86 -0.00 -0.89 -0.00 0.00 0.00 175.17 172.42 3m1a s THR 31 N -3.33 4.23 -0.09 -1.27 2.01 -0.21 -4.29 115.64 112.70 3m1a s THR 31 Ca 0.61 -0.24 0.03 0.00 0.31 0.00 0.00 61.69 62.40 3m1a s THR 31 Cb -0.13 -2.86 0.00 0.00 0.01 0.00 0.00 72.50 69.52 3m1a s THR 31 CO 0.52 0.50 -0.21 -0.69 -0.69 0.00 0.00 174.62 174.05 3m1a s VAL 32 N 0.17 1.83 -0.29 3.82 1.01 0.50 -0.81 120.40 126.64 3m1a s VAL 32 Ca 0.01 -0.89 -0.06 0.00 0.00 0.00 0.00 61.98 61.05 3m1a s VAL 32 Cb -0.13 -1.60 0.02 0.00 0.00 0.00 0.00 36.38 34.66 3m1a s VAL 32 CO 0.02 0.51 0.05 -0.63 0.00 0.00 0.00 175.10 175.05 3m1a s ILE 33 N 0.44 3.70 -0.12 2.22 1.09 0.22 -0.71 121.20 128.04 3m1a s ILE 33 Ca -0.17 -0.82 -0.04 0.00 -1.10 0.00 0.00 60.65 58.51 3m1a s ILE 33 Cb -0.17 -2.92 -0.04 0.00 -1.06 0.00 0.00 42.46 38.27 3m1a s ILE 33 CO 0.07 0.07 0.04 -0.83 -0.10 0.00 0.00 174.94 174.19 3m1a s GLY 34 N 1.45 1.91 0.12 6.18 0.00 0.12 -0.70 107.32 116.40 3m1a s GLY 34 Ca 0.01 -0.76 0.07 0.00 0.00 0.00 0.00 44.72 44.04 3m1a s GLY 34 CO 0.01 -0.36 -0.07 -0.51 0.00 0.00 0.00 173.10 172.17 3m1a s THR 35 N -0.54 3.50 0.28 0.90 -4.23 -0.09 -1.19 115.64 114.26 3m1a s THR 35 Ca 0.10 -1.29 -0.20 0.00 -1.18 0.00 0.00 61.69 59.12 3m1a s THR 35 Cb -0.12 -2.67 0.02 0.00 1.34 0.00 0.00 72.50 71.07 3m1a s THR 35 CO 0.02 0.06 0.69 0.00 -0.54 0.00 0.00 174.62 174.85 3m1a s ALA 36 N -1.35 -1.12 0.05 3.99 0.00 -1.02 -0.71 121.76 121.60 3m1a s ALA 36 Ca 0.23 -0.37 -0.22 0.00 0.00 0.00 0.00 51.96 51.60 3m1a s ALA 36 Cb -0.11 0.87 -0.14 0.00 0.00 0.00 0.00 23.12 23.75 3m1a s ALA 36 CO 0.15 -1.02 1.50 0.00 0.00 0.00 0.00 175.76 176.39 3m1a h ARG 37 N 2.03 0.18 -4.51 0.00 -0.00 -1.89 0.83 114.38 111.02 3m1a h ARG 37 Ca -0.20 -0.05 -0.71 0.00 -0.50 0.00 0.00 59.98 58.52 3m1a h ARG 37 Cb 1.25 -0.02 -0.29 0.00 0.00 0.00 0.00 29.97 30.91 3m1a h ARG 37 CO 0.24 0.40 -0.51 1.03 0.00 0.00 0.00 179.97 181.13 3m1a s ARG 38 N -5.09 2.53 0.39 0.04 0.52 -1.26 -4.60 118.95 111.49 3m1a s ARG 38 Ca -0.14 -1.43 0.10 0.00 -0.52 0.00 0.00 55.73 53.73 3m1a s ARG 38 Cb 0.05 -3.67 0.88 0.00 0.52 0.00 0.00 34.95 32.72 3m1a s ARG 38 CO 0.70 -0.90 1.95 1.79 0.02 0.00 0.00 175.30 178.87 3m1a h THR 39 N 6.14 0.94 -0.15 0.02 1.35 -1.89 -1.95 112.91 117.37 3m1a h THR 39 Ca -0.22 -0.21 0.04 0.00 -0.55 0.00 0.00 66.41 65.48 3m1a h THR 39 Cb 1.08 0.29 -0.01 0.00 -1.73 0.00 0.00 68.15 67.78 3m1a h THR 39 CO 0.71 0.11 0.40 1.05 -0.25 0.00 0.00 175.52 177.55 3m1a h GLU 40 N 0.60 0.00 0.00 4.72 9.09 -1.97 0.19 114.58 127.21 3m1a h GLU 40 Ca 0.32 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.71 3m1a h GLU 40 Cb 0.45 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.55 3m1a h GLU 40 CO -0.11 0.00 -0.08 0.00 0.05 0.00 0.00 179.01 178.87 3m1a h ALA 41 N 1.33 1.80 -0.64 1.06 0.00 -1.76 -2.45 119.26 118.60 3m1a h ALA 41 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3m1a h ALA 41 Cb 0.88 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3m1a h ALA 41 CO -0.00 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.63 3m1a n LEU 42 N -4.35 4.64 -0.13 0.00 4.77 0.65 -4.57 117.00 118.01 3m1a n LEU 42 Ca -0.03 -2.34 -0.04 0.00 -0.03 0.00 0.00 56.01 53.57 3m1a n LEU 42 Cb 0.16 -0.57 0.04 0.00 -2.33 0.00 0.00 43.42 40.72 3m1a n LEU 42 CO 0.34 0.80 0.92 0.44 -1.33 0.00 0.00 177.39 178.56 3m1a h ASP 43 N 4.03 0.06 0.19 -1.43 5.19 -1.51 -2.57 116.42 120.38 3m1a h ASP 43 Ca 0.00 0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.45 3m1a h ASP 43 Cb 1.41 0.08 -0.00 0.00 0.18 0.00 0.00 39.33 40.99 3m1a h ASP 43 CO 0.22 0.07 -0.11 -2.24 -3.12 0.00 0.00 179.24 174.06 3m1a h ASP 44 N 0.25 0.00 0.36 6.45 -0.00 -1.83 -1.35 116.42 120.32 3m1a h ASP 44 Ca 0.21 0.00 -0.32 0.00 -0.00 0.00 0.00 57.03 56.91 3m1a h ASP 44 Cb 0.24 0.00 0.01 0.00 -0.00 0.00 0.00 39.33 39.58 3m1a h ASP 44 CO -0.25 0.11 -1.51 0.25 -0.00 0.00 0.00 179.24 177.84 3m1a h LEU 45 N 0.00 0.60 -0.72 0.15 5.85 -1.84 -3.10 115.31 116.25 3m1a h LEU 45 Ca -0.00 -0.74 -0.10 0.00 0.84 0.00 0.00 57.88 57.88 3m1a h LEU 45 Cb 0.24 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3m1a h LEU 45 CO 0.01 1.60 -0.07 0.58 -0.34 0.00 0.00 178.44 180.23 3m1a h VAL 46 N 0.11 1.26 -0.11 1.05 2.07 -1.07 -2.38 116.25 117.18 3m1a h VAL 46 Ca -0.25 -1.17 -0.10 0.00 0.82 0.00 0.00 66.70 66.00 3m1a h VAL 46 Cb 2.08 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 3m1a h VAL 46 CO 0.21 0.41 -0.37 0.00 0.02 0.00 0.00 177.57 177.84 3m1a h ALA 47 N 1.09 1.17 0.00 1.67 0.00 -1.37 -2.66 119.26 119.16 3m1a h ALA 47 Ca 0.14 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3m1a h ALA 47 Cb 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3m1a h ALA 47 CO 0.04 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.84 3m1a h ALA 48 N 1.42 1.00 -1.89 0.00 0.00 -1.42 -3.38 119.26 114.99 3m1a h ALA 48 Ca 0.02 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.40 3m1a h ALA 48 Cb 0.76 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 18.18 3m1a h ALA 48 CO 0.06 0.00 -1.04 0.66 0.00 0.00 0.00 179.25 178.93 3m1a n TYR 49 N -3.08 -0.72 -0.28 0.00 4.01 -0.92 -5.03 117.16 111.14 3m1a n TYR 49 Ca 0.03 -3.36 0.02 0.00 -0.16 0.00 0.00 57.90 54.43 3m1a n TYR 49 Cb 0.48 -0.09 0.15 0.00 -0.31 0.00 0.00 39.34 39.57 3m1a n TYR 49 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3m1a h PRO 50 N 4.25 0.77 -0.01 -0.72 0.13 -1.67 -2.22 132.00 132.52 3m1a h PRO 50 Ca 0.08 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 3m1a h PRO 50 Cb 0.90 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.86 3m1a h PRO 50 CO 0.43 0.51 -0.42 -0.25 -0.23 0.00 0.00 178.00 178.04 3m1a n ASP 51 N -4.74 1.35 0.00 1.44 10.43 -1.26 -4.36 116.55 119.41 3m1a n ASP 51 Ca 0.13 -1.07 0.00 0.00 2.57 0.00 0.00 54.79 56.41 3m1a n ASP 51 Cb 0.25 0.34 0.00 0.00 1.84 0.00 0.00 41.12 43.55 3m1a n ASP 51 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3m1a n ARG 52 N -0.56 1.29 -3.74 -1.24 1.74 -1.04 -5.01 116.66 108.11 3m1a n ARG 52 Ca 0.10 -1.05 -0.15 0.00 -0.77 0.00 0.00 57.85 55.98 3m1a n ARG 52 Cb 0.39 -0.97 -0.15 0.00 -1.02 0.00 0.00 32.46 30.70 3m1a n ARG 52 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3m1a s ALA 53 N -0.56 -0.10 -0.00 7.54 0.00 -0.87 -0.37 121.76 127.40 3m1a s ALA 53 Ca 0.00 0.51 0.04 0.00 0.00 0.00 0.00 51.96 52.51 3m1a s ALA 53 Cb 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 3m1a s ALA 53 CO 0.00 -0.21 -0.13 -2.00 0.00 0.00 0.00 175.76 173.42 3m1a s GLU 54 N 1.35 1.01 -0.22 0.00 2.12 0.11 -4.73 118.70 118.33 3m1a s GLU 54 Ca -0.07 -0.49 -0.09 0.00 0.36 0.00 0.00 54.97 54.68 3m1a s GLU 54 Cb -0.12 -0.98 -0.05 0.00 0.26 0.00 0.00 34.13 33.24 3m1a s GLU 54 CO -0.05 0.27 0.13 0.00 -0.54 0.00 0.00 175.26 175.07 3m1a s ALA 55 N -0.36 3.55 -0.06 6.30 0.00 -1.26 -0.70 121.76 129.23 3m1a s ALA 55 Ca 0.04 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.21 3m1a s ALA 55 Cb -0.05 -2.19 -0.00 0.00 0.00 0.00 0.00 23.12 20.88 3m1a s ALA 55 CO -0.00 -0.06 -0.19 0.42 0.00 0.00 0.00 175.76 175.92 3m1a s ILE 56 N 0.81 1.60 0.02 0.00 1.01 -0.34 -4.98 121.20 119.32 3m1a s ILE 56 Ca 0.06 -0.79 -0.30 0.00 0.00 0.00 0.00 60.65 59.62 3m1a s ILE 56 Cb -0.13 -1.38 -0.06 0.00 0.01 0.00 0.00 42.46 40.91 3m1a s ILE 56 CO 0.02 0.46 1.37 -0.55 0.00 0.00 0.00 174.94 176.23 3m1a s SER 57 N 0.12 6.88 -0.27 3.58 0.15 -1.26 -2.43 113.70 120.47 3m1a s SER 57 Ca -0.07 2.12 -0.12 0.00 0.70 0.00 0.00 55.95 58.58 3m1a s SER 57 Cb -0.13 -2.57 0.10 0.00 -1.71 0.00 0.00 66.02 61.71 3m1a s SER 57 CO 0.04 -0.67 0.62 -0.22 1.20 0.00 0.00 173.24 174.20 3m1a s LEU 58 N 2.03 -0.93 -0.37 3.45 2.96 0.29 -4.88 118.68 121.23 3m1a s LEU 58 Ca 0.63 1.44 -0.14 0.00 -0.22 0.00 0.00 54.13 55.84 3m1a s LEU 58 Cb -0.32 2.16 0.00 0.00 0.50 0.00 0.00 46.19 48.54 3m1a s LEU 58 CO 0.27 -0.23 0.26 -0.62 -1.32 0.00 0.00 176.35 174.71 3m1a s ASP 59 N 2.23 6.04 0.61 3.68 -1.08 -1.26 -3.78 116.67 123.11 3m1a s ASP 59 Ca -0.08 -0.68 0.39 0.00 -0.52 0.00 0.00 52.55 51.67 3m1a s ASP 59 Cb -0.09 -2.13 1.91 0.00 -1.46 0.00 0.00 42.92 41.15 3m1a s ASP 59 CO -0.18 -0.34 2.19 0.58 0.52 0.00 0.00 175.17 177.94 3m1a h VAL 60 N 5.58 0.03 0.00 1.11 2.07 -1.95 0.14 116.25 123.24 3m1a h VAL 60 Ca -0.29 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 3m1a h VAL 60 Cb 1.14 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 3m1a h VAL 60 CO 0.68 0.01 -0.03 0.74 0.02 0.00 0.00 177.57 178.99 3m1a h THR 61 N 0.00 0.40 -3.14 2.57 2.02 -1.91 -3.38 112.91 109.48 3m1a h THR 61 Ca -0.00 -0.14 -0.75 0.00 0.77 0.00 0.00 66.41 66.29 3m1a h THR 61 Cb 0.25 1.10 -0.25 0.00 -1.74 0.00 0.00 68.15 67.50 3m1a h THR 61 CO 0.00 0.03 -0.24 -0.62 0.37 0.00 0.00 175.52 175.06 3m1a s ASP 62 N -5.93 6.12 0.25 4.18 -1.08 0.49 -4.96 116.67 115.74 3m1a s ASP 62 Ca -0.04 -1.83 0.01 0.00 -0.52 0.00 0.00 52.55 50.17 3m1a s ASP 62 Cb 0.14 -2.18 0.30 0.00 -1.46 0.00 0.00 42.92 39.72 3m1a s ASP 62 CO 0.53 -0.83 1.64 1.23 0.52 0.00 0.00 175.17 178.25 3m1a h GLY 63 N 8.80 0.53 0.95 2.66 0.00 -1.83 -1.09 103.07 113.09 3m1a h GLY 63 Ca -0.28 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.54 3m1a h GLY 63 CO 1.01 0.46 0.16 0.83 0.00 0.00 0.00 176.54 178.99 3m1a h GLU 64 N 0.41 0.40 -0.34 4.80 3.07 -1.96 -2.37 114.58 118.59 3m1a h GLU 64 Ca 0.04 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 58.81 3m1a h GLU 64 Cb 0.84 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.66 3m1a h GLU 64 CO 0.07 0.35 0.04 -0.09 -1.40 0.00 0.00 179.01 177.98 3m1a h ARG 65 N 0.35 0.52 0.10 2.33 9.65 -1.84 -2.19 114.38 123.29 3m1a h ARG 65 Ca 0.10 -0.09 0.02 0.00 -1.10 0.00 0.00 59.98 58.91 3m1a h ARG 65 Cb 0.07 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 28.53 3m1a h ARG 65 CO -0.02 0.51 -0.27 0.82 2.80 0.00 0.00 179.97 183.81 3m1a h ILE 66 N 0.50 0.40 -0.73 1.20 2.04 -0.98 -1.02 117.51 118.92 3m1a h ILE 66 Ca 0.11 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.01 3m1a h ILE 66 Cb 0.26 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 3m1a h ILE 66 CO 0.00 0.00 0.46 0.44 0.00 0.00 0.00 178.15 179.05 3m1a h ASP 67 N -0.47 0.75 -0.17 1.72 3.32 -1.01 -0.53 116.42 120.03 3m1a h ASP 67 Ca 0.04 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3m1a h ASP 67 Cb 0.51 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3m1a h ASP 67 CO -0.17 0.51 0.08 0.58 -1.72 0.00 0.00 179.24 178.53 3m1a h VAL 68 N 0.89 1.12 -0.50 -1.35 2.07 -1.33 -1.99 116.25 115.16 3m1a h VAL 68 Ca 0.30 -0.34 -0.07 0.00 0.82 0.00 0.00 66.70 67.41 3m1a h VAL 68 Cb 0.03 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3m1a h VAL 68 CO -0.12 0.11 0.05 0.58 0.02 0.00 0.00 177.57 178.22 3m1a h VAL 69 N 0.15 1.26 -0.49 2.57 2.07 -0.82 -1.16 116.25 119.82 3m1a h VAL 69 Ca 0.06 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 3m1a h VAL 69 Cb 0.11 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3m1a h VAL 69 CO -0.01 0.35 0.23 0.00 0.02 0.00 0.00 177.57 178.16 3m1a h ALA 70 N 0.96 0.63 -0.54 1.67 0.00 -1.11 -1.39 119.26 119.48 3m1a h ALA 70 Ca 0.15 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3m1a h ALA 70 Cb 0.44 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3m1a h ALA 70 CO 0.02 0.19 0.14 0.00 0.00 0.00 0.00 179.25 179.60 3m1a h ALA 71 N 1.07 1.24 -0.05 0.00 0.00 -1.22 -2.19 119.26 118.12 3m1a h ALA 71 Ca 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3m1a h ALA 71 Cb 0.12 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3m1a h ALA 71 CO -0.02 0.53 0.01 0.22 0.00 0.00 0.00 179.25 179.98 3m1a h ASP 72 N 0.79 0.08 -0.58 0.00 3.58 -0.98 -0.21 116.42 119.09 3m1a h ASP 72 Ca 0.18 -0.28 -0.00 0.00 0.42 0.00 0.00 57.03 57.35 3m1a h ASP 72 Cb 0.27 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.27 3m1a h ASP 72 CO -0.00 0.33 0.35 0.58 -2.88 0.00 0.00 179.24 177.62 3m1a h VAL 73 N -0.18 1.17 -0.44 2.25 2.07 -1.17 -1.03 116.25 118.92 3m1a h VAL 73 Ca 0.01 -0.40 -0.10 0.00 0.82 0.00 0.00 66.70 67.04 3m1a h VAL 73 Cb 0.29 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3m1a h VAL 73 CO 0.00 0.18 -0.11 -0.07 0.02 0.00 0.00 177.57 177.59 3m1a h LEU 74 N 0.79 0.87 0.20 2.57 3.38 -1.35 0.16 115.31 121.92 3m1a h LEU 74 Ca 0.21 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.82 3m1a h LEU 74 Cb -0.01 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3m1a h LEU 74 CO -0.04 1.03 -0.27 0.00 0.09 0.00 0.00 178.44 179.25 3m1a h ALA 75 N 0.87 -0.52 0.04 1.53 0.00 -0.85 -0.79 119.26 119.55 3m1a h ALA 75 Ca 0.11 -0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 3m1a h ALA 75 Cb 0.65 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3m1a h ALA 75 CO 0.04 -0.83 -1.10 0.00 0.00 0.00 0.00 179.25 177.37 3m1a h ARG 76 N -0.53 0.09 0.00 0.00 3.08 -1.08 -3.32 114.38 112.62 3m1a h ARG 76 Ca 0.01 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3m1a h ARG 76 Cb 0.52 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3m1a h ARG 76 CO -0.10 1.06 -1.48 0.66 -1.07 0.00 0.00 179.97 179.04 3m1a n TYR 77 N -3.40 0.00 0.00 3.04 4.01 0.56 -5.00 117.16 116.37 3m1a n TYR 77 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 3m1a n TYR 77 Cb 0.97 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 39.74 3m1a n TYR 77 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3m1a n GLY 78 N 1.42 2.89 3.65 2.72 0.00 -0.30 -4.93 105.19 110.63 3m1a n GLY 78 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 3m1a n GLY 78 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3m1a s ARG 79 N -0.11 1.37 -0.11 1.61 1.70 -1.26 -4.93 118.95 117.22 3m1a s ARG 79 Ca 0.00 -0.66 0.00 0.00 -0.47 0.00 0.00 55.73 54.61 3m1a s ARG 79 Cb 0.00 0.53 0.02 0.00 -0.57 0.00 0.00 34.95 34.93 3m1a s ARG 79 CO 0.00 -0.62 -0.11 0.08 -1.08 0.00 0.00 175.30 173.58 3m1a s VAL 80 N -3.63 1.21 -0.08 4.99 1.01 -1.26 -4.75 120.40 117.89 3m1a s VAL 80 Ca 0.07 -0.43 -0.17 0.00 0.00 0.00 0.00 61.98 61.44 3m1a s VAL 80 Cb -0.03 -1.17 -0.29 0.00 0.00 0.00 0.00 36.38 34.89 3m1a s VAL 80 CO -0.03 0.39 0.67 0.44 0.00 0.00 0.00 175.10 176.58 3m1a h ASP 81 N 7.84 0.43 -3.28 3.32 3.32 -0.98 -3.46 116.42 123.60 3m1a h ASP 81 Ca -0.32 -0.88 -0.53 0.00 0.02 0.00 0.00 57.03 55.31 3m1a h ASP 81 Cb 1.15 -0.14 -0.35 0.00 0.22 0.00 0.00 39.33 40.21 3m1a h ASP 81 CO 0.45 1.56 -0.81 -0.69 -1.72 0.00 0.00 179.24 178.03 3m1a s VAL 82 N -2.47 1.16 -0.18 -1.35 1.01 -0.36 -1.00 120.40 117.22 3m1a s VAL 82 Ca -0.18 -0.43 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 3m1a s VAL 82 Cb 0.03 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 3m1a s VAL 82 CO 0.79 0.38 0.04 -0.22 0.00 0.00 0.00 175.10 176.09 3m1a s LEU 83 N 1.19 3.67 -0.29 3.92 2.96 -0.38 -0.63 118.68 129.11 3m1a s LEU 83 Ca -0.04 0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 53.86 3m1a s LEU 83 Cb -0.14 -1.92 0.04 0.00 0.50 0.00 0.00 46.19 44.67 3m1a s LEU 83 CO -0.03 0.16 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.46 3m1a s VAL 84 N 0.46 3.01 -1.06 1.68 1.01 0.71 -0.47 120.40 125.74 3m1a s VAL 84 Ca 0.02 -1.24 -0.19 0.00 0.00 0.00 0.00 61.98 60.56 3m1a s VAL 84 Cb -0.13 -2.67 0.11 0.00 0.00 0.00 0.00 36.38 33.69 3m1a s VAL 84 CO 0.01 -0.01 1.37 0.20 0.00 0.00 0.00 175.10 176.67 3m1a s ASN 85 N 1.29 6.70 -0.06 3.32 0.02 0.05 -1.93 114.94 124.33 3m1a s ASN 85 Ca -0.03 -2.10 0.13 0.00 -1.02 0.00 0.00 52.86 49.84 3m1a s ASN 85 Cb -0.19 -2.48 -0.19 0.00 0.02 0.00 0.00 41.25 38.42 3m1a s ASN 85 CO -0.02 -1.15 0.19 -3.20 0.02 0.00 0.00 177.10 172.94 3m1a n ASN 86 N 7.34 1.82 -4.69 -1.22 5.15 -1.23 -1.98 115.26 120.45 3m1a n ASN 86 Ca 0.33 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.87 3m1a n ASN 86 Cb 0.48 1.29 -0.01 0.00 -0.53 0.00 0.00 39.78 41.00 3m1a n ASN 86 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3m1a n ALA 87 N -2.19 1.34 0.00 5.20 0.00 -1.07 -4.84 120.51 118.95 3m1a n ALA 87 Ca -0.10 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.72 3m1a n ALA 87 Cb 0.60 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.77 3m1a n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m1a n GLY 88 N 1.43 -0.21 2.91 0.00 0.00 -1.26 -4.74 105.19 103.31 3m1a n GLY 88 Ca 0.08 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 45.00 3m1a n GLY 88 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3m1a s ARG 89 N -2.00 0.18 0.13 1.61 3.52 -1.26 -4.59 118.95 116.54 3m1a s ARG 89 Ca 0.00 -0.07 -0.30 0.00 -0.13 0.00 0.00 55.73 55.22 3m1a s ARG 89 Cb 0.00 -0.18 -0.07 0.00 -1.56 0.00 0.00 34.95 33.14 3m1a s ARG 89 CO 0.00 0.04 1.15 0.99 -0.81 0.00 0.00 175.30 176.67 3m1a s THR 90 N -0.03 3.91 -0.04 4.11 2.01 -1.06 -5.01 115.64 119.53 3m1a s THR 90 Ca 0.01 1.52 -0.01 0.00 0.31 0.00 0.00 61.69 63.51 3m1a s THR 90 Cb -0.01 -3.97 0.03 0.00 0.01 0.00 0.00 72.50 68.55 3m1a s THR 90 CO -0.00 0.20 0.08 -1.58 -0.69 0.00 0.00 174.62 172.63 3m1a s GLN 91 N 0.20 0.03 0.00 4.92 0.74 -1.26 -1.53 119.66 122.76 3m1a s GLN 91 Ca 0.53 0.23 0.04 0.00 0.05 0.00 0.00 55.36 56.21 3m1a s GLN 91 Cb -0.30 -0.17 -0.01 0.00 1.10 0.00 0.00 33.01 33.63 3m1a s GLN 91 CO 0.33 -0.14 -0.11 0.08 -0.55 0.00 0.00 175.29 174.90 3m1a s VAL 92 N 0.90 0.90 0.00 1.34 1.01 -0.66 -4.55 120.40 119.34 3m1a s VAL 92 Ca -0.07 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.34 3m1a s VAL 92 Cb -0.10 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.51 3m1a s VAL 92 CO -0.03 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.87 3m1a n GLY 93 N 2.63 2.93 3.76 4.51 0.00 0.49 -0.57 105.19 118.94 3m1a n GLY 93 Ca -0.15 -0.64 -0.39 0.00 0.00 0.00 0.00 46.02 44.84 3m1a n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m1a s ALA 94 N -2.00 3.03 0.21 4.61 0.00 -1.26 -4.17 121.76 122.18 3m1a s ALA 94 Ca 0.00 1.40 -0.14 0.00 0.00 0.00 0.00 51.96 53.22 3m1a s ALA 94 Cb 0.00 -3.58 0.22 0.00 0.00 0.00 0.00 23.12 19.76 3m1a s ALA 94 CO 0.00 -1.29 1.62 0.35 0.00 0.00 0.00 175.76 176.44 3m1a h PHE 95 N 1.89 -0.40 0.00 0.00 3.04 -1.95 -0.51 116.94 119.00 3m1a h PHE 95 Ca -0.51 0.06 -0.05 0.00 3.98 0.00 0.00 57.97 61.45 3m1a h PHE 95 Cb 1.28 0.27 -0.01 0.00 2.56 0.00 0.00 35.95 40.06 3m1a h PHE 95 CO 0.48 -0.29 -0.22 1.49 -2.02 0.00 0.00 178.31 177.75 3m1a h GLU 96 N -0.02 0.00 0.00 1.11 4.81 -2.03 -2.68 114.58 115.76 3m1a h GLU 96 Ca 0.30 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.39 3m1a h GLU 96 Cb 0.48 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 3m1a h GLU 96 CO -0.65 0.22 -0.64 0.93 -0.73 0.00 0.00 179.01 178.13 3m1a h GLU 97 N 0.00 0.00 -6.35 1.92 5.08 -1.50 -3.46 114.58 110.27 3m1a h GLU 97 Ca -0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.81 3m1a h GLU 97 Cb 0.39 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 3m1a h GLU 97 CO 0.03 0.64 0.87 0.99 -1.00 0.00 0.00 179.01 180.54 3m1a s THR 98 N -2.93 3.69 0.58 1.13 2.01 -0.53 -4.96 115.64 114.61 3m1a s THR 98 Ca 0.03 1.04 -0.15 0.00 0.31 0.00 0.00 61.69 62.93 3m1a s THR 98 Cb 0.09 -3.67 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 3m1a s THR 98 CO 0.76 -0.02 1.02 0.42 -0.69 0.00 0.00 174.62 176.12 3m1a s THR 99 N 2.64 4.33 0.48 -0.82 -4.23 -1.26 -4.91 115.64 111.86 3m1a s THR 99 Ca 0.65 1.00 0.13 0.00 -1.18 0.00 0.00 61.69 62.29 3m1a s THR 99 Cb -0.32 -3.63 0.27 0.00 1.34 0.00 0.00 72.50 70.17 3m1a s THR 99 CO 0.26 -0.75 2.12 -0.08 -0.54 0.00 0.00 174.62 175.63 3m1a h GLU 100 N 0.36 0.17 0.08 3.99 4.81 -1.98 -1.82 114.58 120.19 3m1a h GLU 100 Ca -0.46 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3m1a h GLU 100 Cb 1.20 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3m1a h GLU 100 CO 0.60 0.11 -0.04 -0.09 -0.73 0.00 0.00 179.01 178.87 3m1a h ARG 101 N 0.17 -0.10 -0.93 1.92 9.65 -1.99 -1.07 114.38 122.03 3m1a h ARG 101 Ca 0.05 0.01 0.03 0.00 -1.10 0.00 0.00 59.98 58.96 3m1a h ARG 101 Cb -0.02 0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 28.54 3m1a h ARG 101 CO -0.01 0.17 0.61 0.93 2.80 0.00 0.00 179.97 184.48 3m1a h GLU 102 N -0.38 1.16 -0.19 0.20 5.08 -1.85 -0.81 114.58 117.80 3m1a h GLU 102 Ca -0.01 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3m1a h GLU 102 Cb 0.32 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3m1a h GLU 102 CO 0.02 0.77 0.02 1.25 -1.00 0.00 0.00 179.01 180.07 3m1a h LEU 103 N 1.19 0.31 -0.77 1.33 5.85 -1.23 -2.05 115.31 119.93 3m1a h LEU 103 Ca 0.37 -0.27 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 3m1a h LEU 103 Cb -0.02 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3m1a h LEU 103 CO -0.11 0.50 0.20 0.03 -0.34 0.00 0.00 178.44 178.73 3m1a h ARG 104 N 0.10 1.12 -0.54 1.25 3.08 -0.85 -1.24 114.38 117.30 3m1a h ARG 104 Ca 0.06 -0.25 0.03 0.00 0.07 0.00 0.00 59.98 59.88 3m1a h ARG 104 Cb 0.33 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 3m1a h ARG 104 CO 0.01 0.97 0.32 -0.44 -1.07 0.00 0.00 179.97 179.75 3m1a h ASP 105 N 1.07 0.51 -0.42 7.04 3.32 -1.12 -0.52 116.42 126.30 3m1a h ASP 105 Ca 0.23 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.15 3m1a h ASP 105 Cb 0.33 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3m1a h ASP 105 CO -0.00 0.36 -0.27 0.25 -1.72 0.00 0.00 179.24 177.85 3m1a h LEU 106 N 0.63 0.97 -1.19 1.55 5.85 -1.04 -2.19 115.31 119.88 3m1a h LEU 106 Ca 0.22 -0.43 0.11 0.00 0.84 0.00 0.00 57.88 58.62 3m1a h LEU 106 Cb 0.03 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 40.73 3m1a h LEU 106 CO -0.10 1.18 0.58 -0.26 -0.34 0.00 0.00 178.44 179.50 3m1a h PHE 107 N 0.75 0.95 -0.34 1.25 0.04 -1.03 -0.88 116.94 117.69 3m1a h PHE 107 Ca 0.09 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.88 3m1a h PHE 107 Cb 0.85 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.68 3m1a h PHE 107 CO 0.06 0.41 0.21 0.93 -0.60 0.00 0.00 178.31 179.32 3m1a h GLU 108 N 0.86 0.46 0.30 1.51 4.39 -0.50 -0.91 114.58 120.69 3m1a h GLU 108 Ca 0.43 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.08 3m1a h GLU 108 Cb 0.48 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3m1a h GLU 108 CO -0.19 0.34 -0.14 -0.07 -1.16 0.00 0.00 179.01 177.79 3m1a h LEU 109 N 0.45 -0.34 0.00 1.33 3.38 -1.19 -0.45 115.31 118.49 3m1a h LEU 109 Ca 0.12 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3m1a h LEU 109 Cb -0.00 0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3m1a h LEU 109 CO -0.02 0.02 -0.53 0.45 0.09 0.00 0.00 178.44 178.44 3m1a h HIS 110 N -0.73 0.00 0.00 1.13 3.86 -1.20 -3.38 115.15 114.82 3m1a h HIS 110 Ca -0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 3m1a h HIS 110 Cb 0.49 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.96 3m1a h HIS 110 CO 0.02 0.00 0.00 0.28 0.86 0.00 0.00 177.93 179.09 3m1a n VAL 111 N -2.58 0.16 -0.18 2.45 0.31 -0.46 -4.65 118.33 113.38 3m1a n VAL 111 Ca 0.03 0.05 -0.09 0.00 -0.01 0.00 0.00 64.34 64.32 3m1a n VAL 111 Cb 0.50 -0.72 0.01 0.00 -0.91 0.00 0.00 33.84 32.72 3m1a n VAL 111 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3m1a h PHE 112 N 0.00 0.97 0.37 3.52 0.04 -1.33 -1.50 116.94 119.00 3m1a h PHE 112 Ca 0.00 -0.15 -0.01 0.00 2.80 0.00 0.00 57.97 60.61 3m1a h PHE 112 Cb 0.00 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 37.87 3m1a h PHE 112 CO 0.00 0.88 -0.44 0.78 -0.60 0.00 0.00 178.31 178.93 3m1a h GLY 113 N 0.77 -1.19 1.07 -1.45 0.00 -1.25 -1.39 103.07 99.64 3m1a h GLY 113 Ca 0.15 0.57 0.05 0.00 0.00 0.00 0.00 47.33 48.10 3m1a h GLY 113 CO 0.02 -0.35 0.50 -2.55 0.00 0.00 0.00 176.54 174.16 3m1a h PRO 114 N -0.82 0.85 -0.30 4.80 0.11 -1.73 -1.16 132.00 133.75 3m1a h PRO 114 Ca -0.05 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.01 3m1a h PRO 114 Cb 0.73 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 3m1a h PRO 114 CO -0.09 0.57 0.18 0.00 -0.21 0.00 0.00 178.00 178.45 3m1a h ALA 115 N 1.57 0.39 -0.23 -0.75 0.00 -1.14 0.19 119.26 119.27 3m1a h ALA 115 Ca 0.32 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3m1a h ALA 115 Cb 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3m1a h ALA 115 CO -0.10 -0.12 0.02 -0.09 0.00 0.00 0.00 179.25 178.97 3m1a h ARG 116 N 0.39 0.40 0.09 0.00 2.43 -0.65 -1.12 114.38 115.92 3m1a h ARG 116 Ca 0.11 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3m1a h ARG 116 Cb 0.01 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3m1a h ARG 116 CO -0.02 0.56 -0.05 1.25 -1.51 0.00 0.00 179.97 180.20 3m1a h LEU 117 N 0.19 -0.11 -0.44 3.80 6.46 -1.07 -1.30 115.31 122.85 3m1a h LEU 117 Ca 0.07 -0.03 0.09 0.00 -0.12 0.00 0.00 57.88 57.89 3m1a h LEU 117 Cb 0.36 0.03 -0.09 0.00 -0.73 0.00 0.00 40.66 40.23 3m1a h LEU 117 CO 0.01 -0.04 -0.18 0.74 -0.62 0.00 0.00 178.44 178.34 3m1a h THR 118 N -0.16 0.42 -0.79 1.05 2.02 -0.63 -2.16 112.91 112.66 3m1a h THR 118 Ca -0.01 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.23 3m1a h THR 118 Cb 0.13 0.42 -0.05 0.00 -1.74 0.00 0.00 68.15 66.91 3m1a h THR 118 CO 0.02 0.00 0.52 0.03 0.37 0.00 0.00 175.52 176.46 3m1a h ARG 119 N -0.09 0.85 -0.00 6.66 3.08 -0.86 -0.60 114.38 123.41 3m1a h ARG 119 Ca 0.21 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 60.10 3m1a h ARG 119 Cb 0.42 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 3m1a h ARG 119 CO -0.50 0.56 -0.52 0.00 -1.07 0.00 0.00 179.97 178.44 3m1a h ALA 120 N 1.57 1.13 0.00 0.04 0.00 -0.68 -3.30 119.26 118.02 3m1a h ALA 120 Ca 0.34 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3m1a h ALA 120 Cb 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3m1a h ALA 120 CO -0.11 0.65 -1.44 1.28 0.00 0.00 0.00 179.25 179.63 3m1a n LEU 121 N -3.92 0.56 -0.36 0.00 4.77 -0.55 -4.55 117.00 112.95 3m1a n LEU 121 Ca -0.01 -0.28 -0.02 0.00 -0.03 0.00 0.00 56.01 55.67 3m1a n LEU 121 Cb 0.54 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.73 3m1a n LEU 121 CO 0.41 0.14 1.27 0.25 -1.33 0.00 0.00 177.39 178.13 3m1a h LEU 122 N 0.00 1.08 -0.76 2.23 5.85 -1.23 -3.15 115.31 119.33 3m1a h LEU 122 Ca 0.00 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 3m1a h LEU 122 Cb 0.72 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 3m1a h LEU 122 CO 0.00 0.77 0.27 -0.65 -0.34 0.00 0.00 178.44 178.49 3m1a h PRO 123 N 1.27 1.15 -1.83 5.25 0.11 -1.80 -0.49 132.00 135.65 3m1a h PRO 123 Ca 0.36 -0.23 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3m1a h PRO 123 Cb -0.10 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 30.83 3m1a h PRO 123 CO -0.09 0.96 0.00 0.00 -0.21 0.00 0.00 178.00 178.66 3m1a n GLN 124 N -4.28 0.29 0.00 1.05 -0.00 -1.19 -1.35 117.38 111.90 3m1a n GLN 124 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.06 3m1a n GLN 124 Cb 0.21 -1.35 0.00 0.00 -0.00 0.00 0.00 30.24 29.09 3m1a n GLN 124 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 3m1a n ARG 126 N 1.28 0.00 -0.23 2.61 0.63 -0.20 -2.17 116.66 118.58 3m1a n ARG 126 Ca 0.00 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.87 3m1a n ARG 126 Cb 0.15 0.00 0.04 0.00 0.45 0.00 0.00 32.46 33.10 3m1a n ARG 126 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 3m1a h GLU 127 N 0.00 0.88 -0.01 -0.14 5.08 -1.48 -2.22 114.58 116.68 3m1a h GLU 127 Ca 0.00 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.14 3m1a h GLU 127 Cb 0.00 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 3m1a h GLU 127 CO 0.00 0.61 -0.67 -0.09 -1.00 0.00 0.00 179.01 177.86 3m1a h ARG 128 N 0.89 0.05 -0.29 2.33 2.43 -1.69 -3.48 114.38 114.62 3m1a h ARG 128 Ca 0.24 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.32 3m1a h ARG 128 Cb -0.05 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3m1a h ARG 128 CO -0.05 0.70 -0.06 0.41 -1.51 0.00 0.00 179.97 179.47 3m1a n GLY 129 N 0.40 0.35 3.51 2.80 0.00 -0.84 -5.04 105.19 106.37 3m1a n GLY 129 Ca -0.01 -0.83 -0.17 0.00 0.00 0.00 0.00 46.02 45.00 3m1a n GLY 129 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3m1a s SER 130 N -2.91 -0.63 0.00 1.61 1.04 -1.25 -4.44 113.70 107.11 3m1a s SER 130 Ca 0.00 0.73 0.00 0.00 0.48 0.00 0.00 55.95 57.16 3m1a s SER 130 Cb 0.00 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.72 3m1a s SER 130 CO 0.00 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.26 3m1a n GLY 131 N 1.08 2.73 2.94 7.32 0.00 -1.26 -4.75 105.19 113.25 3m1a n GLY 131 Ca -0.19 -1.08 -0.17 0.00 0.00 0.00 0.00 46.02 44.58 3m1a n GLY 131 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3m1a s SER 132 N 0.00 0.76 -0.23 1.61 0.01 -0.17 -0.74 113.70 114.94 3m1a s SER 132 Ca 0.00 -0.11 -0.04 0.00 1.31 0.00 0.00 55.95 57.11 3m1a s SER 132 Cb 0.00 -0.19 -0.00 0.00 0.21 0.00 0.00 66.02 66.04 3m1a s SER 132 CO 0.00 0.03 -0.03 -0.69 0.41 0.00 0.00 173.24 172.96 3m1a s VAL 133 N 0.23 3.37 -0.28 3.43 1.01 0.53 -1.25 120.40 127.43 3m1a s VAL 133 Ca -0.03 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 3m1a s VAL 133 Cb -0.07 -2.59 0.03 0.00 0.00 0.00 0.00 36.38 33.76 3m1a s VAL 133 CO -0.00 0.34 -0.00 -0.69 0.00 0.00 0.00 175.10 174.75 3m1a s VAL 134 N 1.46 3.20 -0.29 2.92 1.01 0.38 -1.08 120.40 127.99 3m1a s VAL 134 Ca 0.04 -1.09 -0.08 0.00 0.00 0.00 0.00 61.98 60.86 3m1a s VAL 134 Cb -0.15 -2.72 -0.00 0.00 0.00 0.00 0.00 36.38 33.51 3m1a s VAL 134 CO -0.03 0.04 0.11 0.20 0.00 0.00 0.00 175.10 175.42 3m1a s ASN 135 N 1.34 5.28 -0.68 3.32 0.02 0.05 -0.77 114.94 123.51 3m1a s ASN 135 Ca -0.01 -0.55 -0.27 0.00 -1.02 0.00 0.00 52.86 51.01 3m1a s ASN 135 Cb -0.18 -1.93 0.03 0.00 0.02 0.00 0.00 41.25 39.19 3m1a s ASN 135 CO -0.01 -0.16 1.22 -0.63 0.02 0.00 0.00 177.10 177.53 3m1a s ILE 136 N 1.56 3.88 0.00 0.60 -1.09 -0.84 -0.95 121.20 124.37 3m1a s ILE 136 Ca 0.04 0.48 0.00 0.00 -2.23 0.00 0.00 60.65 58.94 3m1a s ILE 136 Cb -0.17 -4.83 0.00 0.00 -1.58 0.00 0.00 42.46 35.88 3m1a s ILE 136 CO 0.04 -1.65 0.00 -0.24 -1.23 0.00 0.00 174.94 171.86 3m1a n SER 137 N 8.90 0.00 -3.66 3.58 2.88 0.46 -4.88 113.62 120.90 3m1a n SER 137 Ca 0.04 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.55 3m1a n SER 137 Cb 0.49 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.93 3m1a n SER 137 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3m1a s SER 138 N -0.92 -0.18 0.62 -3.46 0.15 -1.21 -4.48 113.70 104.21 3m1a s SER 138 Ca 0.00 -0.24 0.36 0.00 0.70 0.00 0.00 55.95 56.77 3m1a s SER 138 Cb 0.00 0.36 2.04 0.00 -1.71 0.00 0.00 66.02 66.71 3m1a s SER 138 CO 0.00 -0.65 2.29 2.19 1.20 0.00 0.00 173.24 178.26 3m1a h PHE 139 N 2.00 0.00 0.00 3.44 -5.15 -1.74 -0.82 116.94 114.66 3m1a h PHE 139 Ca -0.24 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.53 3m1a h PHE 139 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.39 3m1a h PHE 139 CO 0.34 0.01 0.00 0.78 -2.00 0.00 0.00 178.31 177.44 3m1a h GLY 140 N 0.11 0.00 2.00 6.09 0.00 -1.89 -2.47 103.07 106.91 3m1a h GLY 140 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3m1a h GLY 140 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 175.21 3m1a h GLY 141 N 1.21 0.00 -0.00 4.60 0.00 -1.40 -3.11 103.07 104.37 3m1a h GLY 141 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3m1a h GLY 141 CO 0.00 0.00 -0.00 -1.06 0.00 0.00 0.00 176.54 175.48 3m1a n GLN 142 N -2.55 1.30 -3.48 4.80 6.02 -0.93 -3.71 117.38 118.83 3m1a n GLN 142 Ca -0.00 -0.36 -0.12 0.00 -0.01 0.00 0.00 57.00 56.51 3m1a n GLN 142 Cb 0.15 -0.86 -0.03 0.00 1.02 0.00 0.00 30.24 30.52 3m1a n GLN 142 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 3m1a s LEU 143 N -0.58 -0.50 0.26 1.08 0.05 -1.18 -5.04 118.68 112.78 3m1a s LEU 143 Ca 0.00 0.19 -0.04 0.00 0.05 0.00 0.00 54.13 54.33 3m1a s LEU 143 Cb 0.00 2.33 -0.02 0.00 -2.05 0.00 0.00 46.19 46.45 3m1a s LEU 143 CO 0.00 -0.72 0.33 -0.55 -0.55 0.00 0.00 176.35 174.86 3m1a s SER 144 N -2.18 0.42 0.24 1.48 0.15 -1.26 -4.31 113.70 108.24 3m1a s SER 144 Ca -0.00 -1.31 -0.21 0.00 0.70 0.00 0.00 55.95 55.13 3m1a s SER 144 Cb -0.01 0.53 0.07 0.00 -1.71 0.00 0.00 66.02 64.90 3m1a s SER 144 CO -0.06 -1.06 0.95 0.72 1.20 0.00 0.00 173.24 175.00 3m1a s PHE 145 N -3.79 0.06 0.15 3.44 -0.71 -1.26 -5.08 117.98 110.79 3m1a s PHE 145 Ca 0.32 -0.53 -0.34 0.00 -1.04 0.00 0.00 56.93 55.34 3m1a s PHE 145 Cb 0.03 0.74 -0.16 0.00 -1.21 0.00 0.00 43.02 42.41 3m1a s PHE 145 CO 0.15 -1.11 1.11 0.00 -1.34 0.00 0.00 175.22 174.03 3m1a n ALA 146 N -0.63 -1.32 -0.41 1.99 0.00 -1.26 -1.34 120.51 117.54 3m1a n ALA 146 Ca -0.05 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3m1a n ALA 146 Cb 0.60 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 18.08 3m1a n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m1a n GLY 147 N 1.98 1.95 0.17 0.00 0.00 -1.26 -4.71 105.19 103.32 3m1a n GLY 147 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.21 3m1a n GLY 147 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3m1a n PHE 148 N -2.00 0.13 -0.16 1.61 -0.00 -0.45 -0.38 117.46 116.21 3m1a n PHE 148 Ca 0.00 -0.60 -0.11 0.00 -0.00 0.00 0.00 57.45 56.74 3m1a n PHE 148 Cb 0.00 -0.07 -0.00 0.00 -0.00 0.00 0.00 39.48 39.40 3m1a n PHE 148 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 3m1a h SER 149 N 0.44 0.97 -0.30 -2.13 4.64 -1.79 -1.13 113.55 114.26 3m1a h SER 149 Ca 0.00 -0.39 -0.07 0.00 -0.47 0.00 0.00 61.79 60.86 3m1a h SER 149 Cb 0.66 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 3m1a h SER 149 CO 0.01 1.14 -0.10 0.00 -0.87 0.00 0.00 176.83 177.01 3m1a h ALA 150 N 0.86 0.41 -0.03 5.18 0.00 -1.86 -0.80 119.26 123.03 3m1a h ALA 150 Ca 0.11 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3m1a h ALA 150 Cb 0.76 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3m1a h ALA 150 CO 0.06 0.26 0.01 -0.92 0.00 0.00 0.00 179.25 178.66 3m1a h TYR 151 N 0.35 0.04 -0.71 0.00 3.20 -1.76 -2.50 116.97 115.59 3m1a h TYR 151 Ca 0.07 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.96 3m1a h TYR 151 Cb 0.60 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.82 3m1a h TYR 151 CO 0.05 0.24 0.45 0.77 -1.64 0.00 0.00 178.16 178.04 3m1a h SER 152 N -0.17 0.75 -0.65 -2.11 0.02 -1.23 -1.62 113.55 108.55 3m1a h SER 152 Ca 0.01 -0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.02 3m1a h SER 152 Cb 0.22 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 62.53 3m1a h SER 152 CO -0.00 0.52 0.33 0.00 -1.14 0.00 0.00 176.83 176.54 3m1a h ALA 153 N 1.29 0.86 -0.36 3.77 0.00 -1.00 0.71 119.26 124.54 3m1a h ALA 153 Ca 0.28 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 55.06 3m1a h ALA 153 Cb -0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3m1a h ALA 153 CO -0.10 -0.03 -0.42 1.79 0.00 0.00 0.00 179.25 180.49 3m1a h THR 154 N 0.59 1.27 -0.36 0.00 1.35 -1.09 -2.15 112.91 112.53 3m1a h THR 154 Ca 0.30 -1.60 -0.17 0.00 -0.55 0.00 0.00 66.41 64.39 3m1a h THR 154 Cb 0.25 1.45 -0.00 0.00 -1.73 0.00 0.00 68.15 68.11 3m1a h THR 154 CO -0.22 0.53 -0.43 0.11 -0.25 0.00 0.00 175.52 175.26 3m1a h LYS 155 N 0.74 0.93 -0.71 4.72 1.79 -0.98 -2.13 116.57 120.93 3m1a h LYS 155 Ca 0.05 -0.52 -0.01 0.00 -2.18 0.00 0.00 60.65 57.99 3m1a h LYS 155 Cb 1.02 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.67 3m1a h LYS 155 CO 0.10 1.17 0.40 0.00 -1.08 0.00 0.00 179.45 180.04 3m1a h ALA 156 N 0.75 1.37 -0.22 3.86 0.00 -0.87 -0.25 119.26 123.90 3m1a h ALA 156 Ca 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3m1a h ALA 156 Cb 1.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3m1a h ALA 156 CO 0.10 0.53 0.10 0.00 0.00 0.00 0.00 179.25 179.98 3m1a h ALA 157 N 1.45 0.28 -0.98 0.00 0.00 -1.17 -1.93 119.26 116.91 3m1a h ALA 157 Ca 0.25 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.12 3m1a h ALA 157 Cb 0.01 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 3m1a h ALA 157 CO -0.04 -0.15 0.64 1.25 0.00 0.00 0.00 179.25 180.94 3m1a h LEU 158 N 0.21 1.05 -0.46 0.00 6.46 -1.01 -1.53 115.31 120.03 3m1a h LEU 158 Ca 0.07 -0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.78 3m1a h LEU 158 Cb 0.13 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 39.81 3m1a h LEU 158 CO -0.01 0.70 0.08 -0.33 -0.62 0.00 0.00 178.44 178.26 3m1a h GLU 159 N 1.20 0.75 -0.04 1.25 5.08 -0.78 -1.75 114.58 120.31 3m1a h GLU 159 Ca 0.40 -0.20 -0.21 0.00 -1.00 0.00 0.00 59.36 58.35 3m1a h GLU 159 Cb 0.06 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 3m1a h GLU 159 CO -0.13 0.77 -0.85 1.96 -1.00 0.00 0.00 179.01 179.76 3m1a h GLN 160 N 0.62 0.41 -0.49 2.33 1.08 -1.17 0.19 115.11 118.07 3m1a h GLN 160 Ca 0.14 -0.39 0.09 0.00 -1.45 0.00 0.00 58.65 57.04 3m1a h GLN 160 Cb 0.38 0.10 -0.08 0.00 -0.05 0.00 0.00 27.48 27.83 3m1a h GLN 160 CO 0.01 1.05 0.05 -0.07 -0.95 0.00 0.00 178.83 178.91 3m1a h LEU 161 N 0.25 -0.11 -0.43 1.46 4.07 -1.26 -1.64 115.31 117.66 3m1a h LEU 161 Ca -0.06 0.10 -0.03 0.00 0.08 0.00 0.00 57.88 57.98 3m1a h LEU 161 Cb 1.46 0.17 -0.02 0.00 1.08 0.00 0.00 40.66 43.35 3m1a h LEU 161 CO 0.15 -0.03 0.15 0.28 -1.08 0.00 0.00 178.44 177.90 3m1a h SER 162 N 0.17 0.61 -0.26 -0.43 0.02 -0.78 -1.11 113.55 111.77 3m1a h SER 162 Ca 0.25 -0.19 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 3m1a h SER 162 Cb 0.36 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 3m1a h SER 162 CO -0.37 0.64 0.09 -0.33 -1.14 0.00 0.00 176.83 175.72 3m1a h GLU 163 N 0.55 0.21 0.24 3.45 5.08 -0.45 0.15 114.58 123.81 3m1a h GLU 163 Ca 0.14 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3m1a h GLU 163 Cb 0.24 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3m1a h GLU 163 CO -0.01 0.14 -0.12 0.78 -1.00 0.00 0.00 179.01 178.80 3m1a h GLY 164 N 0.21 -0.34 0.52 -3.84 0.00 -1.20 -2.91 103.07 95.51 3m1a h GLY 164 Ca 0.11 0.13 0.09 0.00 0.00 0.00 0.00 47.33 47.66 3m1a h GLY 164 CO -0.12 -0.12 0.38 -2.00 0.00 0.00 0.00 176.54 174.68 3m1a h LEU 165 N -0.49 0.52 -0.68 3.11 5.85 -1.14 -2.67 115.31 119.80 3m1a h LEU 165 Ca -0.03 0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.83 3m1a h LEU 165 Cb 0.37 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.29 3m1a h LEU 165 CO 0.06 0.30 0.31 0.00 -0.34 0.00 0.00 178.44 178.77 3m1a h ALA 166 N 1.42 0.92 -0.61 1.25 0.00 -0.61 -0.89 119.26 120.73 3m1a h ALA 166 Ca 0.35 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.27 3m1a h ALA 166 Cb 0.33 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3m1a h ALA 166 CO -0.25 -0.09 0.18 0.22 0.00 0.00 0.00 179.25 179.30 3m1a h ASP 167 N 0.54 0.87 0.54 0.00 3.58 -1.29 -2.34 116.42 118.32 3m1a h ASP 167 Ca 0.34 -0.15 -0.14 0.00 0.42 0.00 0.00 57.03 57.49 3m1a h ASP 167 Cb 0.37 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 3m1a h ASP 167 CO -0.28 0.83 -0.64 -0.33 -2.88 0.00 0.00 179.24 175.94 3m1a h GLU 168 N 0.91 0.10 -0.01 0.28 5.08 -0.89 -3.35 114.58 116.69 3m1a h GLU 168 Ca 0.20 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3m1a h GLU 168 Cb 0.28 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3m1a h GLU 168 CO -0.01 0.71 -0.28 1.55 -1.00 0.00 0.00 179.01 179.98 3m1a n VAL 169 N -3.80 0.00 -0.34 3.13 3.14 -0.54 -4.40 118.33 115.52 3m1a n VAL 169 Ca -0.02 -0.36 0.06 0.00 -2.96 0.00 0.00 64.34 61.07 3m1a n VAL 169 Cb 0.64 1.10 0.22 0.00 -1.06 0.00 0.00 33.84 34.74 3m1a n VAL 169 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3m1a h ALA 170 N 1.76 1.43 -0.08 1.55 0.00 -1.56 -0.89 119.26 121.47 3m1a h ALA 170 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3m1a h ALA 170 Cb 0.34 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3m1a h ALA 170 CO 0.00 0.18 0.12 -1.35 0.00 0.00 0.00 179.25 178.20 3m1a h PRO 171 N 0.93 0.00 -0.25 0.00 0.11 -1.83 -0.87 132.00 130.10 3m1a h PRO 171 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 3m1a h PRO 171 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 3m1a h PRO 171 CO -0.27 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.71 3m1a n PHE 172 N -3.57 0.31 -0.99 0.65 3.01 -0.35 -4.92 117.46 111.60 3m1a n PHE 172 Ca -0.01 -0.16 0.00 0.00 1.01 0.00 0.00 57.45 58.30 3m1a n PHE 172 Cb 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 3m1a n PHE 172 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3m1a n GLY 173 N 1.29 0.56 3.73 1.37 0.00 -0.33 -3.90 105.19 107.90 3m1a n GLY 173 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3m1a n GLY 173 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3m1a s ILE 174 N -2.30 4.78 -0.14 -0.61 1.01 -1.16 -4.24 121.20 118.54 3m1a s ILE 174 Ca 0.00 1.82 -0.09 0.00 0.00 0.00 0.00 60.65 62.38 3m1a s ILE 174 Cb 0.00 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 3m1a s ILE 174 CO 0.00 0.27 0.17 -0.54 0.00 0.00 0.00 174.94 174.85 3m1a s LYS 175 N 0.43 3.77 -0.15 2.79 1.02 0.08 -4.15 119.74 123.53 3m1a s LYS 175 Ca 0.44 -0.09 0.00 0.00 0.02 0.00 0.00 55.97 56.34 3m1a s LYS 175 Cb -0.21 -3.28 0.03 0.00 -0.52 0.00 0.00 37.83 33.85 3m1a s LYS 175 CO 0.25 0.59 -0.11 0.08 -0.92 0.00 0.00 175.35 175.24 3m1a s VAL 176 N -0.50 1.35 -0.11 3.17 1.01 -1.26 -0.35 120.40 123.72 3m1a s VAL 176 Ca 0.14 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.57 3m1a s VAL 176 Cb -0.12 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 34.92 3m1a s VAL 176 CO 0.03 0.35 -0.20 -0.22 0.00 0.00 0.00 175.10 175.07 3m1a s LEU 177 N 1.56 1.94 -0.32 3.92 2.96 -0.24 -4.61 118.68 123.89 3m1a s LEU 177 Ca 0.04 -0.50 -0.10 0.00 -0.22 0.00 0.00 54.13 53.34 3m1a s LEU 177 Cb -0.13 -1.25 -0.01 0.00 0.50 0.00 0.00 46.19 45.30 3m1a s LEU 177 CO -0.09 0.09 0.17 -0.63 -1.32 0.00 0.00 176.35 174.57 3m1a s ILE 178 N 0.67 4.75 -0.13 6.68 1.01 0.18 -0.77 121.20 133.58 3m1a s ILE 178 Ca -0.12 -0.41 -0.15 0.00 0.00 0.00 0.00 60.65 59.97 3m1a s ILE 178 Cb -0.16 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 3m1a s ILE 178 CO 0.03 0.03 0.36 -0.69 0.00 0.00 0.00 174.94 174.67 3m1a s VAL 179 N 1.63 5.25 -0.61 2.92 1.01 -0.12 -0.85 120.40 129.62 3m1a s VAL 179 Ca 0.05 0.70 0.05 0.00 0.00 0.00 0.00 61.98 62.78 3m1a s VAL 179 Cb -0.17 -3.69 0.19 0.00 0.00 0.00 0.00 36.38 32.70 3m1a s VAL 179 CO 0.07 0.39 0.52 -0.62 0.00 0.00 0.00 175.10 175.46 3m1a n GLU 180 N 3.41 1.58 -2.12 2.72 1.02 0.28 -0.40 120.64 127.13 3m1a n GLU 180 Ca -0.11 -4.18 -0.28 0.00 -0.02 0.00 0.00 57.16 52.57 3m1a n GLU 180 Cb 0.52 -2.08 0.04 0.00 -0.02 0.00 0.00 31.44 29.90 3m1a n GLU 180 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3m1a s PRO 181 N -1.37 2.78 0.00 3.49 0.04 -1.26 -0.92 135.00 137.77 3m1a s PRO 181 Ca 0.30 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.54 3m1a s PRO 181 Cb 0.03 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.44 3m1a s PRO 181 CO -0.14 -0.94 0.00 0.41 0.04 0.00 0.00 177.00 176.37 3m1a n GLY 182 N -2.84 1.40 3.82 0.56 0.00 -0.92 -3.37 105.19 103.83 3m1a n GLY 182 Ca 0.06 -1.84 -0.33 0.00 0.00 0.00 0.00 46.02 43.91 3m1a n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m1a s ALA 183 N -2.98 3.01 0.16 4.61 0.00 -1.26 -4.90 121.76 120.40 3m1a s ALA 183 Ca 0.00 0.40 0.08 0.00 0.00 0.00 0.00 51.96 52.44 3m1a s ALA 183 Cb 0.00 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 3m1a s ALA 183 CO 0.00 -0.03 -0.08 -0.06 0.00 0.00 0.00 175.76 175.59 3m1a s PHE 184 N -2.23 2.69 0.43 0.00 0.08 -1.26 -0.01 117.98 117.67 3m1a s PHE 184 Ca 0.62 -0.19 -0.26 0.00 0.12 0.00 0.00 56.93 57.22 3m1a s PHE 184 Cb -0.10 -1.34 -0.09 0.00 -0.57 0.00 0.00 43.02 40.91 3m1a s PHE 184 CO 0.18 0.49 1.36 2.89 -0.10 0.00 0.00 175.22 180.04 3m1a n ARG 185 N 0.19 2.14 0.00 0.44 1.85 0.11 -4.68 116.66 116.71 3m1a n ARG 185 Ca -0.11 0.76 0.01 0.00 -1.00 0.00 0.00 57.85 57.51 3m1a n ARG 185 Cb 0.55 -2.51 -0.02 0.00 -1.05 0.00 0.00 32.46 29.43 3m1a n ARG 185 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3m1a n THR 186 N -0.14 0.00 -0.29 8.89 -2.24 -1.26 -4.69 114.28 114.55 3m1a n THR 186 Ca 0.05 -0.43 0.07 0.00 -2.27 0.00 0.00 64.05 61.47 3m1a n THR 186 Cb 0.40 1.00 0.23 0.00 -2.10 0.00 0.00 70.33 69.86 3m1a n THR 186 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3m1a h ASN 187 N 0.02 0.50 0.09 3.42 4.21 -1.92 0.47 115.58 122.37 3m1a h ASN 187 Ca 0.00 0.10 -0.35 0.00 1.21 0.00 0.00 56.30 57.25 3m1a h ASN 187 Cb 0.07 0.02 -0.03 0.00 -1.12 0.00 0.00 38.32 37.26 3m1a h ASN 187 CO 0.00 0.20 -1.99 0.00 -1.29 0.00 0.00 177.43 174.35 3m1a n LEU 188 N -4.89 2.56 -0.06 1.61 -0.00 -1.26 -4.63 117.00 110.32 3m1a n LEU 188 Ca 0.17 0.19 0.09 0.00 -0.00 0.00 0.00 56.01 56.47 3m1a n LEU 188 Cb 0.44 -1.06 -0.10 0.00 -0.00 0.00 0.00 43.42 42.71 3m1a n LEU 188 CO 0.20 0.78 -0.00 0.49 -0.00 0.00 0.00 177.39 178.86 3m1a n PHE 189 N -3.61 0.00 -4.33 1.47 3.72 -1.21 -5.05 117.46 108.44 3m1a n PHE 189 Ca -0.35 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.05 3m1a n PHE 189 Cb 0.98 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.52 3m1a n PHE 189 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3m1a n GLY 190 N 1.44 -1.07 3.36 1.37 0.00 0.15 -0.68 105.19 109.77 3m1a n GLY 190 Ca 0.04 -1.20 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 3m1a n GLY 190 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m1a s LYS 191 N 0.00 1.21 0.83 1.61 3.01 -1.26 -3.37 119.74 121.76 3m1a s LYS 191 Ca 0.00 -1.22 -0.12 0.00 -1.01 0.00 0.00 55.97 53.61 3m1a s LYS 191 Cb 0.00 0.38 0.10 0.00 -1.01 0.00 0.00 37.83 37.29 3m1a s LYS 191 CO 0.00 -0.45 1.19 0.20 0.51 0.00 0.00 175.35 176.80 3m1a s GLY 192 N -2.99 1.61 0.88 -3.33 0.00 -1.26 -4.66 107.32 97.57 3m1a s GLY 192 Ca 0.20 -0.69 -0.11 0.00 0.00 0.00 0.00 44.72 44.12 3m1a s GLY 192 CO 0.02 -0.17 1.15 0.00 0.00 0.00 0.00 173.10 174.11 3m1a s ALA 193 N -3.58 1.60 -0.20 3.20 0.00 -1.26 -4.88 121.76 116.63 3m1a s ALA 193 Ca 0.63 0.62 -0.16 0.00 0.00 0.00 0.00 51.96 53.06 3m1a s ALA 193 Cb -0.11 -3.45 0.06 0.00 0.00 0.00 0.00 23.12 19.62 3m1a s ALA 193 CO 0.50 -2.60 0.52 0.00 0.00 0.00 0.00 175.76 174.17 3m1a s ALA 194 N -2.57 -1.32 -0.05 0.00 0.00 -1.26 -2.56 121.76 114.00 3m1a s ALA 194 Ca 0.68 1.64 0.03 0.00 0.00 0.00 0.00 51.96 54.30 3m1a s ALA 194 Cb -0.24 -0.97 0.01 0.00 0.00 0.00 0.00 23.12 21.93 3m1a s ALA 194 CO 0.56 -0.27 -0.12 -0.47 0.00 0.00 0.00 175.76 175.46 3m1a s TYR 195 N 0.78 1.30 -0.20 0.00 5.04 -0.58 -5.00 117.35 118.69 3m1a s TYR 195 Ca -0.04 -0.41 0.01 0.00 -2.44 0.00 0.00 57.07 54.19 3m1a s TYR 195 Cb -0.05 -0.94 0.04 0.00 0.35 0.00 0.00 41.96 41.36 3m1a s TYR 195 CO -0.06 -0.20 -0.11 -0.06 -1.34 0.00 0.00 175.55 173.79 3m1a s PHE 196 N 0.43 2.49 0.66 4.97 0.08 -1.26 -1.65 117.98 123.70 3m1a s PHE 196 Ca -0.09 -1.64 -0.17 0.00 0.12 0.00 0.00 56.93 55.14 3m1a s PHE 196 Cb -0.13 -1.67 -0.00 0.00 -0.57 0.00 0.00 43.02 40.65 3m1a s PHE 196 CO 0.02 -0.76 1.27 -1.12 -0.10 0.00 0.00 175.22 174.54 3m1a s SER 197 N 1.37 4.52 0.05 1.36 0.01 0.26 -4.93 113.70 116.35 3m1a s SER 197 Ca -0.02 2.57 -0.37 0.00 1.31 0.00 0.00 55.95 59.44 3m1a s SER 197 Cb -0.16 -2.61 -0.19 0.00 0.21 0.00 0.00 66.02 63.27 3m1a s SER 197 CO -0.08 -2.05 1.06 1.21 0.41 0.00 0.00 173.24 173.78 3m1a n GLU 198 N -2.06 0.29 -3.59 12.44 2.13 -1.26 -4.87 120.64 123.72 3m1a n GLU 198 Ca 0.15 0.10 -0.40 0.00 0.66 0.00 0.00 57.16 57.68 3m1a n GLU 198 Cb 0.49 -1.57 -0.09 0.00 0.27 0.00 0.00 31.44 30.53 3m1a n GLU 198 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3m1a s GLU 199 N -0.07 2.43 0.57 5.31 2.02 -1.26 -4.77 118.70 122.93 3m1a s GLU 199 Ca 0.85 -1.72 -0.17 0.00 0.02 0.00 0.00 54.97 53.95 3m1a s GLU 199 Cb -1.14 -3.86 -0.05 0.00 0.10 0.00 0.00 34.13 29.18 3m1a s GLU 199 CO 0.55 -1.14 1.05 0.54 0.02 0.00 0.00 175.26 176.28 3m1a s ASN 200 N 2.48 5.96 0.32 -0.19 6.03 -1.26 -4.73 114.94 123.55 3m1a s ASN 200 Ca 0.06 1.83 0.09 0.00 -1.03 0.00 0.00 52.86 53.80 3m1a s ASN 200 Cb -0.25 -2.54 0.94 0.00 -3.03 0.00 0.00 41.25 36.37 3m1a s ASN 200 CO -0.01 -1.05 1.64 -0.65 -2.03 0.00 0.00 177.10 175.01 3m1a h PRO 201 N 0.71 0.22 0.00 3.55 0.11 -2.00 0.63 132.00 135.23 3m1a h PRO 201 Ca -0.47 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3m1a h PRO 201 Cb 1.22 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3m1a h PRO 201 CO 0.58 0.15 -0.01 0.00 -0.21 0.00 0.00 178.00 178.51 3m1a h ALA 202 N 1.85 1.11 0.00 -0.75 0.00 -2.04 -3.13 119.26 116.29 3m1a h ALA 202 Ca 0.67 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.57 3m1a h ALA 202 Cb 1.48 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3m1a h ALA 202 CO -0.66 0.01 -0.53 0.66 0.00 0.00 0.00 179.25 178.73 3m1a n TYR 203 N -3.25 0.00 -0.33 0.00 4.01 0.11 -4.79 117.16 112.91 3m1a n TYR 203 Ca -0.02 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.88 3m1a n TYR 203 Cb 0.12 -0.03 0.36 0.00 -0.31 0.00 0.00 39.34 39.48 3m1a n TYR 203 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3m1a h ALA 204 N 0.31 1.66 -0.32 -0.72 0.00 -1.20 -0.33 119.26 118.66 3m1a h ALA 204 Ca 0.00 0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 3m1a h ALA 204 Cb 0.09 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3m1a h ALA 204 CO 0.00 -0.32 -0.32 1.49 0.00 0.00 0.00 179.25 180.11 3m1a h GLU 205 N 0.49 0.69 0.19 0.00 4.81 -1.87 -1.43 114.58 117.47 3m1a h GLU 205 Ca 0.62 -0.32 -0.29 0.00 -0.13 0.00 0.00 59.36 59.24 3m1a h GLU 205 Cb 1.19 -0.01 0.02 0.00 0.63 0.00 0.00 28.75 30.58 3m1a h GLU 205 CO -0.50 0.92 -1.36 0.87 -0.73 0.00 0.00 179.01 178.20 3m1a h LYS 206 N 0.59 0.41 0.09 1.92 1.79 -1.64 -3.40 116.57 116.32 3m1a h LYS 206 Ca 0.07 -0.69 -0.30 0.00 -2.18 0.00 0.00 60.65 57.54 3m1a h LYS 206 Cb 0.83 0.26 -0.02 0.00 -1.58 0.00 0.00 32.23 31.72 3m1a h LYS 206 CO 0.07 1.33 -1.56 0.28 -1.08 0.00 0.00 179.45 178.49 3m1a h VAL 207 N -0.06 1.10 -0.79 0.50 2.07 -1.15 -3.38 116.25 114.54 3m1a h VAL 207 Ca -0.26 -2.79 0.09 0.00 0.82 0.00 0.00 66.70 64.56 3m1a h VAL 207 Cb 1.96 2.69 -0.11 0.00 -1.52 0.00 0.00 31.29 34.31 3m1a h VAL 207 CO 0.19 0.79 -0.54 1.23 0.02 0.00 0.00 177.57 179.26 3m1a h GLY 208 N 2.02 -0.72 0.67 2.17 0.00 -1.45 -1.18 103.07 104.58 3m1a h GLY 208 Ca -0.25 0.71 0.13 0.00 0.00 0.00 0.00 47.33 47.93 3m1a h GLY 208 CO 0.14 -0.05 0.54 -2.55 0.00 0.00 0.00 176.54 174.61 3m1a h PRO 209 N -0.14 0.60 -0.43 4.80 0.11 -1.79 -2.14 132.00 133.02 3m1a h PRO 209 Ca 0.16 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 3m1a h PRO 209 Cb 0.50 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 3m1a h PRO 209 CO -0.82 0.40 0.18 1.15 -0.21 0.00 0.00 178.00 178.70 3m1a h THR 210 N 0.62 1.19 -0.45 -1.15 2.02 -1.42 -1.10 112.91 112.62 3m1a h THR 210 Ca 0.40 -0.58 0.06 0.00 0.77 0.00 0.00 66.41 67.06 3m1a h THR 210 Cb 0.68 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 67.81 3m1a h THR 210 CO -0.16 0.22 0.14 -0.09 0.37 0.00 0.00 175.52 176.00 3m1a h ARG 211 N 0.55 0.29 -0.40 6.66 2.43 -0.88 -0.43 114.38 122.61 3m1a h ARG 211 Ca 0.14 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 3m1a h ARG 211 Cb 0.17 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 3m1a h ARG 211 CO -0.01 0.19 0.24 1.96 -1.51 0.00 0.00 179.97 180.84 3m1a h GLN 212 N 0.30 0.47 -0.28 0.20 1.08 -1.22 -1.69 115.11 113.97 3m1a h GLN 212 Ca 0.21 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.38 3m1a h GLN 212 Cb 0.22 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 3m1a h GLN 212 CO -0.23 0.31 0.14 1.25 -0.95 0.00 0.00 178.83 179.35 3m1a h LEU 213 N 0.48 0.36 -0.77 1.46 7.12 -0.85 -3.08 115.31 120.03 3m1a h LEU 213 Ca 0.15 -0.12 -0.12 0.00 0.13 0.00 0.00 57.88 57.93 3m1a h LEU 213 Cb -0.01 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.02 3m1a h LEU 213 CO -0.07 0.38 -0.36 0.58 -0.13 0.00 0.00 178.44 178.84 3m1a h VAL 214 N 0.32 1.29 0.00 1.05 2.07 -0.98 -3.47 116.25 116.54 3m1a h VAL 214 Ca 0.10 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.13 3m1a h VAL 214 Cb 0.11 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3m1a h VAL 214 CO -0.01 0.47 0.00 0.00 0.02 0.00 0.00 177.57 178.04 3m1a n GLN 215 N -4.05 0.84 -1.00 1.57 6.02 -0.64 -4.94 117.38 115.18 3m1a n GLN 215 Ca -0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.85 3m1a n GLN 215 Cb 0.48 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 30.11 3m1a n GLN 215 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3m1a n GLN 221 N -1.05 0.00 -2.10 -1.09 0.00 -1.26 -5.07 117.38 106.81 3m1a n GLN 221 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 57.00 56.80 3m1a n GLN 221 Cb 0.12 -0.72 -0.02 0.00 0.00 0.00 0.00 30.24 29.62 3m1a n GLN 221 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.06 174.92 3m1a s PRO 222 N 4.73 4.33 0.65 2.61 0.02 -1.26 -4.78 135.00 141.30 3m1a s PRO 222 Ca 0.75 2.21 -0.11 0.00 0.02 0.00 0.00 61.00 63.88 3m1a s PRO 222 Cb -0.49 -3.11 -0.02 0.00 0.02 0.00 0.00 34.50 30.91 3m1a s PRO 222 CO 0.33 -0.27 1.04 0.20 -0.33 0.00 0.00 177.00 177.97 3m1a s GLY 223 N -0.07 1.67 -0.41 0.52 0.00 0.98 -4.63 107.32 105.38 3m1a s GLY 223 Ca 0.54 -0.00 -0.13 0.00 0.00 0.00 0.00 44.72 45.12 3m1a s GLY 223 CO 0.47 0.29 0.29 -0.35 0.00 0.00 0.00 173.10 173.79 3m1a s ASP 224 N -3.98 5.96 0.45 1.64 3.68 -1.26 0.07 116.67 123.24 3m1a s ASP 224 Ca 0.57 -1.06 0.14 0.00 2.13 0.00 0.00 52.55 54.33 3m1a s ASP 224 Cb -0.12 -2.11 1.03 0.00 -1.45 0.00 0.00 42.92 40.27 3m1a s ASP 224 CO 0.54 -0.48 2.01 -0.65 0.13 0.00 0.00 175.17 176.73 3m1a h PRO 225 N 8.58 0.02 -0.10 4.34 0.11 -1.97 -0.80 132.00 142.18 3m1a h PRO 225 Ca -0.26 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.82 3m1a h PRO 225 Cb 1.11 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3m1a h PRO 225 CO 0.74 0.17 -0.02 0.00 -0.21 0.00 0.00 178.00 178.68 3m1a h ALA 226 N 1.84 0.14 -0.56 -0.75 0.00 -1.93 -0.60 119.26 117.39 3m1a h ALA 226 Ca 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 3m1a h ALA 226 Cb 0.27 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3m1a h ALA 226 CO 0.02 -0.14 0.08 0.87 0.00 0.00 0.00 179.25 180.09 3m1a h LYS 227 N -0.12 0.89 -0.68 0.00 1.57 -1.89 -2.42 116.57 113.93 3m1a h LYS 227 Ca 0.03 -0.21 0.03 0.00 -1.87 0.00 0.00 60.65 58.63 3m1a h LYS 227 Cb 0.42 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.57 3m1a h LYS 227 CO 0.01 0.83 0.42 0.00 -0.57 0.00 0.00 179.45 180.14 3m1a h ALA 228 N 1.25 0.89 -0.67 3.86 0.00 -1.03 -1.19 119.26 122.36 3m1a h ALA 228 Ca 0.17 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3m1a h ALA 228 Cb 0.38 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3m1a h ALA 228 CO 0.01 0.17 0.16 0.00 0.00 0.00 0.00 179.25 179.59 3m1a h ALA 229 N 1.30 1.02 -0.31 0.00 0.00 -0.87 -2.39 119.26 118.01 3m1a h ALA 229 Ca 0.28 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3m1a h ALA 229 Cb 0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3m1a h ALA 229 CO -0.12 0.64 0.13 0.00 0.00 0.00 0.00 179.25 179.91 3m1a h ALA 230 N 1.16 1.66 -0.30 0.00 0.00 -0.99 -2.74 119.26 118.04 3m1a h ALA 230 Ca 0.21 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 3m1a h ALA 230 Cb 0.36 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3m1a h ALA 230 CO 0.00 0.28 -0.46 0.00 0.00 0.00 0.00 179.25 179.07 3m1a h ALA 231 N 1.72 0.62 -0.52 0.00 0.00 -0.77 -1.56 119.26 118.75 3m1a h ALA 231 Ca 0.11 -0.48 0.04 0.00 0.00 0.00 0.00 54.91 54.58 3m1a h ALA 231 Cb 0.07 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3m1a h ALA 231 CO -0.01 0.68 0.27 0.82 0.00 0.00 0.00 179.25 181.01 3m1a h ILE 232 N 0.63 0.98 -0.31 0.00 2.04 -1.17 -0.42 117.51 119.25 3m1a h ILE 232 Ca 0.04 -0.18 -0.09 0.00 1.00 0.00 0.00 64.86 65.62 3m1a h ILE 232 Cb 1.03 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 3m1a h ILE 232 CO 0.10 0.10 -0.18 0.03 0.00 0.00 0.00 178.15 178.20 3m1a h ARG 233 N 0.53 0.57 -0.20 2.37 3.08 -1.32 -1.51 114.38 117.90 3m1a h ARG 233 Ca 0.22 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 3m1a h ARG 233 Cb 0.11 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3m1a h ARG 233 CO -0.14 0.73 0.04 1.25 -1.07 0.00 0.00 179.97 180.77 3m1a h LEU 234 N 0.52 0.32 -0.50 3.04 6.46 -0.81 -1.74 115.31 122.59 3m1a h LEU 234 Ca 0.08 -0.25 0.00 0.00 -0.12 0.00 0.00 57.88 57.60 3m1a h LEU 234 Cb 0.61 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.43 3m1a h LEU 234 CO 0.04 0.48 0.33 0.00 -0.62 0.00 0.00 178.44 178.68 3m1a h ALA 235 N 0.84 0.64 0.00 1.25 0.00 -0.82 -1.47 119.26 119.70 3m1a h ALA 235 Ca 0.06 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3m1a h ALA 235 Cb 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3m1a h ALA 235 CO 0.00 0.09 -0.30 -0.07 0.00 0.00 0.00 179.25 178.97 3m1a h LEU 236 N 0.68 0.00 -0.04 0.00 3.38 -1.25 -2.92 115.31 115.16 3m1a h LEU 236 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3m1a h LEU 236 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3m1a h LEU 236 CO -0.04 0.30 -0.32 -0.67 0.09 0.00 0.00 178.44 177.80 3m1a n ASP 237 N -4.09 0.39 -4.76 -0.43 2.03 -0.66 -4.85 116.55 104.18 3m1a n ASP 237 Ca -0.02 -0.10 -0.40 0.00 0.52 0.00 0.00 54.79 54.80 3m1a n ASP 237 Cb 0.36 0.01 -0.05 0.00 -0.72 0.00 0.00 41.12 40.72 3m1a n ASP 237 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3m1a s THR 238 N -2.94 3.76 0.11 5.18 2.01 -0.63 -4.97 115.64 118.16 3m1a s THR 238 Ca 0.14 1.71 -0.31 0.00 0.31 0.00 0.00 61.69 63.54 3m1a s THR 238 Cb 0.18 -4.07 -0.10 0.00 0.01 0.00 0.00 72.50 68.52 3m1a s THR 238 CO 0.63 0.36 1.59 -0.08 -0.69 0.00 0.00 174.62 176.44 3m1a h GLU 239 N 3.78 -0.63 -5.59 4.92 4.81 -1.88 -3.15 114.58 116.83 3m1a h GLU 239 Ca -0.46 0.04 -0.63 0.00 -0.13 0.00 0.00 59.36 58.18 3m1a h GLU 239 Cb 1.21 0.14 -0.14 0.00 0.63 0.00 0.00 28.75 30.59 3m1a h GLU 239 CO 0.67 -0.42 0.89 0.15 -0.73 0.00 0.00 179.01 179.57 3m1a s LYS 240 N -5.94 3.35 -0.00 1.92 1.02 -1.26 -5.02 119.74 113.82 3m1a s LYS 240 Ca -0.16 -1.06 -0.30 0.00 0.02 0.00 0.00 55.97 54.46 3m1a s LYS 240 Cb 0.07 -4.63 -0.04 0.00 -0.52 0.00 0.00 37.83 32.71 3m1a s LYS 240 CO 0.63 -1.93 1.22 0.99 -0.92 0.00 0.00 175.35 175.34 3m1a s THR 241 N 4.11 4.12 0.51 2.17 2.01 -1.19 -5.01 115.64 122.35 3m1a s THR 241 Ca 0.32 1.49 -0.22 0.00 0.31 0.00 0.00 61.69 63.58 3m1a s THR 241 Cb -0.09 -3.95 -0.06 0.00 0.01 0.00 0.00 72.50 68.41 3m1a s THR 241 CO 0.01 0.05 1.27 -2.16 -0.69 0.00 0.00 174.62 173.10 3m1a s PRO 242 N 1.75 3.39 0.25 4.92 0.04 -1.26 -4.94 135.00 139.14 3m1a s PRO 242 Ca 0.58 2.02 -0.03 0.00 0.04 0.00 0.00 61.00 63.61 3m1a s PRO 242 Cb -0.27 -2.30 0.29 0.00 0.04 0.00 0.00 34.50 32.25 3m1a s PRO 242 CO 0.25 -0.92 1.74 1.25 0.04 0.00 0.00 177.00 179.36 3m1a h LEU 243 N 1.68 0.81 -8.47 -3.56 5.85 -1.95 -3.44 115.31 106.23 3m1a h LEU 243 Ca -0.50 -0.20 -0.62 0.00 0.84 0.00 0.00 57.88 57.39 3m1a h LEU 243 Cb 1.28 -0.22 -0.29 0.00 0.37 0.00 0.00 40.66 41.80 3m1a h LEU 243 CO 0.58 0.88 -0.86 -0.13 -0.34 0.00 0.00 178.44 178.57 3m1a s ARG 244 N -4.99 1.76 -0.30 1.25 0.52 -1.26 -0.65 118.95 115.27 3m1a s ARG 244 Ca -0.10 -0.79 0.02 0.00 -0.52 0.00 0.00 55.73 54.34 3m1a s ARG 244 Cb 0.14 -1.71 0.09 0.00 0.52 0.00 0.00 34.95 33.99 3m1a s ARG 244 CO 0.82 0.47 0.02 -1.17 0.02 0.00 0.00 175.30 175.46 3m1a s LEU 245 N -0.55 3.70 0.42 2.53 2.96 -0.03 -4.94 118.68 122.77 3m1a s LEU 245 Ca 0.08 -1.78 -0.25 0.00 -0.22 0.00 0.00 54.13 51.97 3m1a s LEU 245 Cb -0.08 -1.38 -0.08 0.00 0.50 0.00 0.00 46.19 45.14 3m1a s LEU 245 CO -0.01 -0.34 1.20 0.00 -1.32 0.00 0.00 176.35 175.88 3m1a s ALA 246 N 1.16 3.11 -0.10 5.97 0.00 -1.26 -0.56 121.76 130.08 3m1a s ALA 246 Ca 0.05 1.02 -0.01 0.00 0.00 0.00 0.00 51.96 53.02 3m1a s ALA 246 Cb -0.19 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.56 3m1a s ALA 246 CO -0.11 -0.65 -0.03 -0.51 0.00 0.00 0.00 175.76 174.46 3m1a s LEU 247 N -2.67 0.94 0.00 0.00 1.43 -0.10 -4.85 118.68 113.43 3m1a s LEU 247 Ca 0.59 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 3m1a s LEU 247 Cb -0.32 -0.65 0.00 0.00 0.03 0.00 0.00 46.19 45.26 3m1a s LEU 247 CO 0.40 -0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.42 3m1a n GLY 248 N 5.04 1.29 0.36 -3.19 0.00 -1.26 -2.18 105.19 105.25 3m1a n GLY 248 Ca -0.10 -1.64 0.03 0.00 0.00 0.00 0.00 46.02 44.32 3m1a n GLY 248 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3m1a h GLY 249 N 0.00 1.22 1.00 -0.02 0.00 -1.98 -1.78 103.07 101.51 3m1a h GLY 249 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3m1a h GLY 249 CO 0.00 0.32 0.10 -0.55 0.00 0.00 0.00 176.54 176.41 3m1a h ASP 250 N 1.00 0.17 -0.42 0.19 3.45 -1.87 0.12 116.42 119.07 3m1a h ASP 250 Ca 0.35 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.80 3m1a h ASP 250 Cb 0.13 -0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 38.84 3m1a h ASP 250 CO -0.12 0.13 0.22 0.00 -1.57 0.00 0.00 179.24 177.91 3m1a h ALA 251 N 1.05 0.54 -0.22 3.45 0.00 -1.69 0.25 119.26 122.63 3m1a h ALA 251 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3m1a h ALA 251 Cb -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3m1a h ALA 251 CO -0.01 0.07 0.14 0.28 0.00 0.00 0.00 179.25 179.73 3m1a h VAL 252 N 0.54 1.06 -0.30 0.00 2.07 -1.16 0.15 116.25 118.62 3m1a h VAL 252 Ca 0.15 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.58 3m1a h VAL 252 Cb 0.07 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 3m1a h VAL 252 CO -0.02 0.06 0.07 0.44 0.02 0.00 0.00 177.57 178.14 3m1a h ASP 253 N 0.29 0.04 -0.30 0.57 3.32 -0.58 -0.28 116.42 119.48 3m1a h ASP 253 Ca 0.08 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 3m1a h ASP 253 Cb -0.02 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3m1a h ASP 253 CO -0.02 0.06 0.13 -0.26 -1.72 0.00 0.00 179.24 177.43 3m1a h PHE 254 N 0.19 0.46 -0.33 4.55 0.04 -0.63 -0.53 116.94 120.69 3m1a h PHE 254 Ca 0.14 -0.03 -0.15 0.00 2.80 0.00 0.00 57.97 60.73 3m1a h PHE 254 Cb 0.14 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 3m1a h PHE 254 CO -0.16 0.43 -0.38 -0.07 -0.60 0.00 0.00 178.31 177.53 3m1a h LEU 255 N 0.35 0.90 -0.57 1.54 3.38 -0.56 -1.94 115.31 118.41 3m1a h LEU 255 Ca 0.10 -0.48 -0.16 0.00 0.09 0.00 0.00 57.88 57.43 3m1a h LEU 255 Cb 0.16 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3m1a h LEU 255 CO -0.01 1.20 -0.64 0.71 0.09 0.00 0.00 178.44 179.79 3m1a h THR 256 N 0.62 1.39 -0.38 0.22 1.35 -1.02 -1.64 112.91 113.45 3m1a h THR 256 Ca 0.05 -2.05 -0.10 0.00 -0.55 0.00 0.00 66.41 63.76 3m1a h THR 256 Cb 0.97 2.04 -0.02 0.00 -1.73 0.00 0.00 68.15 69.41 3m1a h THR 256 CO 0.09 0.61 -0.16 1.23 -0.25 0.00 0.00 175.52 177.04 3m1a h GLY 257 N 1.44 0.76 1.20 5.82 0.00 -1.00 -2.20 103.07 109.09 3m1a h GLY 257 Ca -0.01 -0.59 -0.24 0.00 0.00 0.00 0.00 47.33 46.49 3m1a h GLY 257 CO 0.10 0.54 -0.89 0.84 0.00 0.00 0.00 176.54 177.13 3m1a h HIS 258 N 0.63 1.06 -0.48 5.60 6.17 -1.27 -2.47 115.15 124.38 3m1a h HIS 258 Ca 0.10 -0.51 -0.00 0.00 0.71 0.00 0.00 60.37 60.66 3m1a h HIS 258 Cb 0.62 -0.15 -0.02 0.00 2.52 0.00 0.00 27.41 30.38 3m1a h HIS 258 CO 0.03 1.35 0.28 1.25 0.71 0.00 0.00 177.93 181.55 3m1a h LEU 259 N 0.48 0.59 -0.23 0.26 6.46 -1.24 -0.42 115.31 121.21 3m1a h LEU 259 Ca -0.09 -0.07 0.06 0.00 -0.12 0.00 0.00 57.88 57.66 3m1a h LEU 259 Cb 1.53 -0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 41.25 3m1a h LEU 259 CO 0.18 0.48 -0.17 -0.78 -0.62 0.00 0.00 178.44 177.53 3m1a h ASP 260 N 0.64 -0.56 -0.40 1.25 -0.00 -1.41 -0.24 116.42 115.71 3m1a h ASP 260 Ca 0.17 0.11 -0.09 0.00 -0.00 0.00 0.00 57.03 57.23 3m1a h ASP 260 Cb 0.01 0.28 -0.01 0.00 -0.00 0.00 0.00 39.33 39.61 3m1a h ASP 260 CO -0.03 -0.21 -0.10 0.77 -0.00 0.00 0.00 179.24 179.67 3m1a h SER 261 N -0.17 0.77 -0.45 2.28 4.64 -1.12 -0.61 113.55 118.89 3m1a h SER 261 Ca 0.13 -0.36 0.01 0.00 -0.47 0.00 0.00 61.79 61.10 3m1a h SER 261 Cb 0.37 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.22 3m1a h SER 261 CO -0.33 0.96 0.28 0.58 -0.87 0.00 0.00 176.83 177.45 3m1a h VAL 262 N 0.58 1.08 -0.06 0.95 2.07 -0.86 -1.09 116.25 118.92 3m1a h VAL 262 Ca 0.10 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 3m1a h VAL 262 Cb 0.62 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3m1a h VAL 262 CO 0.04 0.11 0.02 -0.09 0.02 0.00 0.00 177.57 177.67 3m1a h ARG 263 N 0.58 0.08 -0.73 1.57 9.65 -0.88 -1.41 114.38 123.24 3m1a h ARG 263 Ca 0.17 -0.01 0.11 0.00 -1.10 0.00 0.00 59.98 59.14 3m1a h ARG 263 Cb -0.03 -0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 28.46 3m1a h ARG 263 CO -0.06 0.20 0.35 0.00 2.80 0.00 0.00 179.97 183.26 3m1a h ALA 264 N 0.88 1.01 -0.51 2.80 0.00 -0.97 0.33 119.26 122.80 3m1a h ALA 264 Ca 0.02 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 3m1a h ALA 264 Cb 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3m1a h ALA 264 CO -0.00 -0.08 -0.17 1.49 0.00 0.00 0.00 179.25 180.48 3m1a h GLU 265 N 0.57 1.01 -0.70 0.00 4.81 -1.08 -0.46 114.58 118.73 3m1a h GLU 265 Ca 0.37 -0.41 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 3m1a h GLU 265 Cb 0.43 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 3m1a h GLU 265 CO -0.30 1.09 0.33 1.25 -0.73 0.00 0.00 179.01 180.66 3m1a h LEU 266 N 0.88 0.92 -0.32 1.64 5.85 -0.66 -1.68 115.31 121.95 3m1a h LEU 266 Ca 0.12 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 3m1a h LEU 266 Cb 0.75 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 3m1a h LEU 266 CO 0.06 0.80 0.18 0.74 -0.34 0.00 0.00 178.44 179.88 3m1a h THR 267 N 0.98 1.12 -0.62 1.05 2.02 -0.71 -2.02 112.91 114.72 3m1a h THR 267 Ca 0.24 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 67.08 3m1a h THR 267 Cb 0.12 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 3m1a h THR 267 CO -0.03 0.12 0.21 -0.08 0.37 0.00 0.00 175.52 176.11 3m1a h GLU 268 N 0.40 0.96 -0.52 6.66 4.81 -0.69 -2.82 114.58 123.38 3m1a h GLU 268 Ca 0.11 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3m1a h GLU 268 Cb 0.03 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.27 3m1a h GLU 268 CO -0.02 0.84 0.00 0.91 -0.73 0.00 0.00 179.01 180.01 3m1a n TRP 269 N -4.39 0.72 -0.18 0.92 7.02 -0.67 -4.61 117.44 116.25 3m1a n TRP 269 Ca 0.04 -0.34 -0.09 0.00 -1.02 0.00 0.00 57.50 56.09 3m1a n TRP 269 Cb 0.20 -0.02 0.01 0.00 -2.42 0.00 0.00 31.31 29.08 3m1a n TRP 269 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 3m1a h GLU 270 N 2.91 0.80 -0.60 -0.99 4.81 -1.09 -0.69 114.58 119.73 3m1a h GLU 270 Ca 0.00 -0.19 0.02 0.00 -0.13 0.00 0.00 59.36 59.06 3m1a h GLU 270 Cb 0.72 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.96 3m1a h GLU 270 CO 0.02 0.76 0.38 0.87 -0.73 0.00 0.00 179.01 180.32 3m1a h LYS 271 N 0.69 0.74 -0.05 1.92 1.57 -1.82 0.22 116.57 119.84 3m1a h LYS 271 Ca 0.16 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3m1a h LYS 271 Cb 0.31 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 3m1a h LYS 271 CO -0.00 0.49 0.03 0.28 -0.57 0.00 0.00 179.45 179.68 3m1a h VAL 272 N 0.76 1.10 -0.30 0.50 2.07 -1.82 -1.05 116.25 117.52 3m1a h VAL 272 Ca 0.23 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.51 3m1a h VAL 272 Cb -0.02 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 3m1a h VAL 272 CO -0.08 0.09 -0.02 0.28 0.02 0.00 0.00 177.57 177.86 3m1a h SER 273 N -0.03 -0.16 0.88 0.57 0.02 -0.69 -2.45 113.55 111.69 3m1a h SER 273 Ca 0.02 0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 60.97 3m1a h SER 273 Cb 0.12 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3m1a h SER 273 CO -0.00 -0.04 -0.34 0.03 -1.14 0.00 0.00 176.83 175.33 3m1a h ARG 274 N 0.07 0.00 0.00 3.45 3.08 -0.52 -3.25 114.38 117.21 3m1a h ARG 274 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3m1a h ARG 274 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3m1a h ARG 274 CO -0.26 0.34 0.00 0.41 -1.07 0.00 0.00 179.97 179.39 3m1a n GLY 275 N 0.24 -0.41 1.81 0.04 0.00 -0.40 -3.87 105.19 102.59 3m1a n GLY 275 Ca -0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 3m1a n GLY 275 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3m1a n THR 276 N -0.89 2.48 1.68 2.61 -2.24 -1.23 -5.08 114.28 111.60 3m1a n THR 276 Ca 0.08 -1.32 0.15 0.00 -2.27 0.00 0.00 64.05 60.69 3m1a n THR 276 Cb 0.04 -0.52 0.68 0.00 -2.10 0.00 0.00 70.33 68.42 3m1a n THR 276 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97