#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mma n GLY 5 N 0.00 2.16 3.72 8.31 0.00 -1.26 -5.02 105.19 113.11 3mma n GLY 5 Ca 0.00 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 3mma n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mma s VAL 6 N -2.73 2.44 0.20 1.61 1.01 -1.26 -4.95 120.40 116.73 3mma s VAL 6 Ca 0.00 0.32 -0.30 0.00 0.00 0.00 0.00 61.98 62.01 3mma s VAL 6 Cb 0.00 -3.21 -0.08 0.00 0.00 0.00 0.00 36.38 33.09 3mma s VAL 6 CO 0.00 0.03 1.23 -0.54 0.00 0.00 0.00 175.10 175.83 3mma s LYS 7 N 0.84 4.46 0.14 2.72 1.02 -1.26 -5.02 119.74 122.64 3mma s LYS 7 Ca 0.69 1.95 -0.08 0.00 0.02 0.00 0.00 55.97 58.55 3mma s LYS 7 Cb -0.45 -3.21 -0.01 0.00 -0.52 0.00 0.00 37.83 33.63 3mma s LYS 7 CO 0.34 -0.13 0.22 0.95 -0.92 0.00 0.00 175.35 175.81 3mma s THR 8 N -0.12 0.09 -1.15 2.17 -4.23 -1.26 -4.95 115.64 106.20 3mma s THR 8 Ca 0.53 -1.41 -0.02 0.00 -1.18 0.00 0.00 61.69 59.61 3mma s THR 8 Cb -0.34 -1.73 0.00 0.00 1.34 0.00 0.00 72.50 71.77 3mma s THR 8 CO 0.38 -0.42 0.31 0.47 -0.54 0.00 0.00 174.62 174.82 3mma n ASP 9 N -0.15 -4.71 -0.00 3.99 9.92 -1.26 -4.91 116.55 119.43 3mma n ASP 9 Ca -0.09 -0.15 0.07 0.00 -0.53 0.00 0.00 54.79 54.09 3mma n ASP 9 Cb 0.63 -3.65 -0.09 0.00 -0.64 0.00 0.00 41.12 37.36 3mma n ASP 9 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 3mma n PHE 10 N -4.11 0.00 -3.23 1.24 1.16 -1.26 -5.10 117.46 106.16 3mma n PHE 10 Ca -0.11 0.00 0.01 0.00 -1.87 0.00 0.00 57.45 55.48 3mma n PHE 10 Cb 0.60 -0.12 -0.00 0.00 -1.61 0.00 0.00 39.48 38.35 3mma n PHE 10 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3mma n GLY 11 N 1.46 -2.00 3.88 4.97 0.00 -1.26 -4.89 105.19 107.34 3mma n GLY 11 Ca 0.01 -1.39 -0.30 0.00 0.00 0.00 0.00 46.02 44.33 3mma n GLY 11 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mma s PRO 12 N -0.27 3.01 0.39 1.61 0.04 -1.26 -4.98 135.00 133.54 3mma s PRO 12 Ca 0.00 0.51 -0.27 0.00 0.04 0.00 0.00 61.00 61.28 3mma s PRO 12 Cb 0.00 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 32.40 3mma s PRO 12 CO 0.00 -0.94 1.43 -1.25 0.04 0.00 0.00 177.00 176.28 3mma s PRO 13 N -5.32 4.00 -0.09 0.56 0.04 -1.26 -4.88 135.00 128.06 3mma s PRO 13 Ca 0.57 2.45 -0.29 0.00 0.04 0.00 0.00 61.00 63.77 3mma s PRO 13 Cb -0.11 -2.87 -0.06 0.00 0.04 0.00 0.00 34.50 31.50 3mma s PRO 13 CO 0.52 -0.57 1.89 -0.47 0.04 0.00 0.00 177.00 178.42 3mma s TYR 14 N -1.16 1.54 0.50 0.56 5.04 -1.26 -4.88 117.35 117.69 3mma s TYR 14 Ca 0.55 0.07 0.25 0.00 -2.44 0.00 0.00 57.07 55.49 3mma s TYR 14 Cb -0.44 -4.07 1.32 0.00 0.35 0.00 0.00 41.96 39.12 3mma s TYR 14 CO 0.59 -4.43 1.92 0.27 -1.34 0.00 0.00 175.55 172.56 3mma h PHE 15 N 11.38 0.17 0.00 4.97 -0.00 -1.98 -2.25 116.94 129.23 3mma h PHE 15 Ca -0.43 0.01 -0.05 0.00 -0.00 0.00 0.00 57.97 57.50 3mma h PHE 15 Cb 1.21 -0.05 -0.01 0.00 -0.00 0.00 0.00 35.95 37.10 3mma h PHE 15 CO 0.93 0.05 -0.22 -0.09 -0.00 0.00 0.00 178.31 178.99 3mma h ARG 16 N 0.14 0.00 -0.02 6.09 2.43 -1.98 0.73 114.38 121.77 3mma h ARG 16 Ca 0.37 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 3mma h ARG 16 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 3mma h ARG 16 CO -0.05 0.22 0.00 -0.25 -1.51 0.00 0.00 179.97 178.38 3mma n ASP 17 N -3.73 0.25 -0.09 -3.80 8.00 -0.85 -3.58 116.55 112.75 3mma n ASP 17 Ca -0.01 -1.30 0.04 0.00 0.71 0.00 0.00 54.79 54.23 3mma n ASP 17 Cb 0.33 -0.01 0.06 0.00 -0.02 0.00 0.00 41.12 41.48 3mma n ASP 17 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3mma n LEU 18 N -0.70 1.68 -4.87 0.64 4.77 0.24 -5.03 117.00 113.73 3mma n LEU 18 Ca 0.18 -2.12 -0.37 0.00 -0.03 0.00 0.00 56.01 53.67 3mma n LEU 18 Cb 0.12 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 40.97 3mma n LEU 18 CO 0.14 0.50 -0.08 -0.76 -1.33 0.00 0.00 177.39 175.86 3mma s LEU 19 N -1.56 4.42 0.35 2.23 1.43 -1.16 -4.82 118.68 119.56 3mma s LEU 19 Ca 0.13 0.63 -0.28 0.00 -1.03 0.00 0.00 54.13 53.58 3mma s LEU 19 Cb 0.12 -2.25 -0.12 0.00 0.03 0.00 0.00 46.19 43.97 3mma s LEU 19 CO 0.01 0.38 1.26 1.57 0.23 0.00 0.00 176.35 179.80 3mma n HIS 20 N 1.90 2.16 -0.34 0.29 -0.00 -1.26 -4.68 115.22 113.29 3mma n HIS 20 Ca -0.18 0.56 0.18 0.00 -0.00 0.00 0.00 57.72 58.28 3mma n HIS 20 Cb 0.54 -2.39 0.40 0.00 -0.00 0.00 0.00 29.99 28.54 3mma n HIS 20 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3mma h PRO 21 N 2.44 0.56 -0.10 1.57 0.11 -1.97 0.10 132.00 134.71 3mma h PRO 21 Ca -0.46 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 3mma h PRO 21 Cb 1.29 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3mma h PRO 21 CO 0.62 0.37 -0.46 0.28 -0.21 0.00 0.00 178.00 178.60 3mma h VAL 22 N 0.58 1.33 -0.01 3.15 2.07 -1.99 0.11 116.25 121.48 3mma h VAL 22 Ca 0.61 -1.64 -0.16 0.00 0.82 0.00 0.00 66.70 66.33 3mma h VAL 22 Cb 1.20 1.76 0.01 0.00 -1.52 0.00 0.00 31.29 32.74 3mma h VAL 22 CO -0.39 0.49 -0.61 0.40 0.02 0.00 0.00 177.57 177.48 3mma h ILE 23 N 0.21 1.41 -0.54 4.57 2.04 -1.54 -2.33 117.51 121.33 3mma h ILE 23 Ca 0.01 -2.05 -0.00 0.00 1.00 0.00 0.00 64.86 63.82 3mma h ILE 23 Cb 0.89 2.53 -0.03 0.00 -0.74 0.00 0.00 36.82 39.48 3mma h ILE 23 CO 0.07 0.60 0.32 0.00 0.00 0.00 0.00 178.15 179.15 3mma h ALA 24 N 0.34 0.68 -0.55 1.87 0.00 -0.71 0.10 119.26 121.00 3mma h ALA 24 Ca -0.07 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3mma h ALA 24 Cb 1.31 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3mma h ALA 24 CO 0.12 0.17 0.36 -0.22 0.00 0.00 0.00 179.25 179.67 3mma h LYS 25 N 0.72 0.70 -0.36 0.00 3.64 -0.83 -3.25 116.57 117.18 3mma h LYS 25 Ca 0.19 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3mma h LYS 25 Cb -0.01 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 3mma h LYS 25 CO -0.04 0.46 0.00 0.09 -2.27 0.00 0.00 179.45 177.70 3mma n ASN 26 N -4.72 3.36 -3.38 4.20 3.02 -0.88 -4.98 115.26 111.88 3mma n ASN 26 Ca 0.04 -1.96 -0.48 0.00 -0.03 0.00 0.00 54.58 52.14 3mma n ASN 26 Cb 0.03 -0.23 -0.07 0.00 -0.61 0.00 0.00 39.78 38.90 3mma n ASN 26 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mma n TYR 27 N 1.39 1.25 -1.36 3.10 4.19 0.01 -0.00 117.16 125.74 3mma n TYR 27 Ca 0.18 0.82 -0.12 0.00 3.31 0.00 0.00 57.90 62.08 3mma n TYR 27 Cb 0.58 -1.59 -0.05 0.00 0.49 0.00 0.00 39.34 38.77 3mma n TYR 27 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3mma n GLY 28 N 2.86 1.33 2.62 2.98 0.00 -1.26 -4.88 105.19 108.83 3mma n GLY 28 Ca 0.22 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 3mma n GLY 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mma n LYS 29 N -2.44 1.82 -3.56 1.61 5.02 1.00 -5.10 118.16 116.51 3mma n LYS 29 Ca -0.12 -3.59 -0.37 0.00 -2.02 0.00 0.00 58.31 52.21 3mma n LYS 29 Cb 0.44 -1.55 -0.06 0.00 -0.02 0.00 0.00 35.03 33.84 3mma n LYS 29 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3mma s TRP 30 N -3.33 3.66 -0.07 2.13 0.52 -1.26 -1.34 118.94 119.25 3mma s TRP 30 Ca 0.32 0.87 -0.02 0.00 0.02 0.00 0.00 56.10 57.30 3mma s TRP 30 Cb 0.42 -2.21 -0.01 0.00 -1.15 0.00 0.00 33.47 30.53 3mma s TRP 30 CO -0.02 0.60 -0.03 -0.22 0.02 0.00 0.00 176.95 177.30 3mma h LYS 31 N 4.31 0.00 -2.89 4.98 3.64 -0.67 -3.43 116.57 122.51 3mma h LYS 31 Ca -0.51 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 58.93 3mma h LYS 31 Cb 1.21 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.95 3mma h LYS 31 CO 0.63 0.00 0.27 1.52 -2.27 0.00 0.00 179.45 179.60 3mma s TYR 32 N -1.46 -0.30 0.13 1.91 -0.85 -1.13 -5.03 117.35 110.62 3mma s TYR 32 Ca -0.02 -0.04 0.09 0.00 -0.52 0.00 0.00 57.07 56.57 3mma s TYR 32 Cb 0.00 0.65 -0.04 0.00 0.38 0.00 0.00 41.96 42.95 3mma s TYR 32 CO 0.04 -1.04 -0.17 -3.38 -1.52 0.00 0.00 175.55 169.48 3mma s HIS 33 N -3.76 2.55 -0.04 -3.49 -3.43 -1.26 -1.63 115.29 104.24 3mma s HIS 33 Ca 0.08 -0.26 0.01 0.00 -0.80 0.00 0.00 55.06 54.09 3mma s HIS 33 Cb -0.04 -1.33 0.02 0.00 -1.43 0.00 0.00 32.58 29.81 3mma s HIS 33 CO -0.01 0.42 -0.02 -1.21 -2.00 0.00 0.00 174.74 171.92 3mma s GLU 34 N -2.29 0.57 -0.47 -0.38 2.02 0.13 -4.98 118.70 113.30 3mma s GLU 34 Ca 0.19 -0.01 -0.29 0.00 0.02 0.00 0.00 54.97 54.88 3mma s GLU 34 Cb -0.10 -0.67 0.02 0.00 0.10 0.00 0.00 34.13 33.49 3mma s GLU 34 CO 0.11 -0.11 1.22 0.08 0.02 0.00 0.00 175.26 176.58 3mma s VAL 35 N 0.99 4.10 -0.03 2.63 1.01 -1.26 -0.02 120.40 127.82 3mma s VAL 35 Ca -0.10 1.10 -0.25 0.00 0.00 0.00 0.00 61.98 62.73 3mma s VAL 35 Cb -0.14 -4.51 -0.21 0.00 0.00 0.00 0.00 36.38 31.53 3mma s VAL 35 CO -0.01 -0.98 1.19 0.58 0.00 0.00 0.00 175.10 175.88 3mma h VAL 36 N 6.30 1.45 -2.71 2.92 2.07 -1.44 -3.48 116.25 121.35 3mma h VAL 36 Ca -0.24 -1.39 0.12 0.00 0.82 0.00 0.00 66.70 66.00 3mma h VAL 36 Cb 1.07 2.34 -0.06 0.00 -1.52 0.00 0.00 31.29 33.12 3mma h VAL 36 CO 1.12 0.37 0.34 -1.59 0.02 0.00 0.00 177.57 177.84 3mma s LYS 37 N -3.90 1.54 0.14 1.57 -2.85 -1.21 -5.05 119.74 109.98 3mma s LYS 37 Ca -0.16 -0.85 -0.35 0.00 -1.00 0.00 0.00 55.97 53.61 3mma s LYS 37 Cb 0.01 0.52 -0.15 0.00 -2.06 0.00 0.00 37.83 36.16 3mma s LYS 37 CO 0.69 -0.71 1.45 -2.30 0.10 0.00 0.00 175.35 174.58 3mma n PRO 38 N -0.47 1.72 0.00 1.78 -0.02 -1.26 -1.46 135.00 135.29 3mma n PRO 38 Ca -0.05 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3mma n PRO 38 Cb 0.60 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3mma n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mma n GLY 39 N 2.87 1.90 2.92 -1.23 0.00 -1.26 -4.51 105.19 105.88 3mma n GLY 39 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 3mma n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mma s VAL 40 N -2.36 1.26 -0.14 1.61 1.01 -0.53 0.87 120.40 122.11 3mma s VAL 40 Ca 0.00 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.24 3mma s VAL 40 Cb 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.96 3mma s VAL 40 CO 0.00 0.13 -0.19 -0.63 0.00 0.00 0.00 175.10 174.41 3mma s ILE 41 N 1.56 2.37 -0.08 2.22 1.01 -0.05 -1.00 121.20 127.23 3mma s ILE 41 Ca -0.00 -0.88 -0.19 0.00 0.00 0.00 0.00 60.65 59.58 3mma s ILE 41 Cb -0.16 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 3mma s ILE 41 CO -0.08 0.53 0.52 -0.75 0.00 0.00 0.00 174.94 175.16 3mma s LYS 42 N 0.75 4.31 -0.12 2.79 2.20 0.97 0.34 119.74 130.99 3mma s LYS 42 Ca -0.08 0.54 0.02 0.00 -0.36 0.00 0.00 55.97 56.10 3mma s LYS 42 Cb -0.16 -3.40 0.01 0.00 -1.51 0.00 0.00 37.83 32.77 3mma s LYS 42 CO 0.00 0.23 -0.20 1.03 -0.36 0.00 0.00 175.35 176.06 3mma s ARG 43 N 0.35 2.70 -0.20 4.03 0.52 0.72 0.22 118.95 127.30 3mma s ARG 43 Ca 0.28 -0.74 -0.03 0.00 -0.52 0.00 0.00 55.73 54.72 3mma s ARG 43 Cb -0.16 -2.19 -0.01 0.00 0.52 0.00 0.00 34.95 33.11 3mma s ARG 43 CO 0.13 -0.01 -0.07 0.08 0.02 0.00 0.00 175.30 175.44 3mma s VAL 44 N 0.81 3.21 0.45 3.52 1.01 -0.64 -0.73 120.40 128.03 3mma s VAL 44 Ca -0.09 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.24 3mma s VAL 44 Cb -0.16 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 3mma s VAL 44 CO -0.00 0.46 0.81 0.00 0.00 0.00 0.00 175.10 176.36 3mma s ALA 45 N 1.19 3.33 0.54 5.51 0.00 0.04 0.00 121.76 132.37 3mma s ALA 45 Ca 0.02 -0.28 0.24 0.00 0.00 0.00 0.00 51.96 51.93 3mma s ALA 45 Cb -0.14 -2.71 1.43 0.00 0.00 0.00 0.00 23.12 21.70 3mma s ALA 45 CO -0.02 -0.19 2.07 0.93 0.00 0.00 0.00 175.76 178.55 3mma h GLU 46 N 0.76 0.00 0.00 0.00 5.08 -1.49 -0.86 114.58 118.07 3mma h GLU 46 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3mma h GLU 46 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3mma h GLU 46 CO 0.63 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 179.30 3mma h SER 47 N 0.00 0.00 0.00 1.42 4.64 -1.94 -3.46 113.55 114.21 3mma h SER 47 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3mma h SER 47 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3mma h SER 47 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3mma n GLY 48 N 0.41 1.26 3.76 -0.77 0.00 -0.33 -5.07 105.19 104.46 3mma n GLY 48 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3mma n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mma s ASP 49 N -1.75 5.75 -0.10 1.61 1.01 -1.26 -4.74 116.67 117.19 3mma s ASP 49 Ca 0.00 2.90 0.02 0.00 0.71 0.00 0.00 52.55 56.18 3mma s ASP 49 Cb 0.00 -2.65 0.01 0.00 1.01 0.00 0.00 42.92 41.29 3mma s ASP 49 CO 0.00 -1.26 -0.16 -0.69 0.21 0.00 0.00 175.17 173.28 3mma s VAL 50 N -1.22 1.49 0.03 -1.27 1.01 -1.26 -0.78 120.40 118.39 3mma s VAL 50 Ca 0.63 -0.65 0.07 0.00 0.00 0.00 0.00 61.98 62.03 3mma s VAL 50 Cb -0.43 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 3mma s VAL 50 CO 0.55 0.44 -0.20 -0.51 0.00 0.00 0.00 175.10 175.38 3mma s ILE 51 N 0.87 1.60 -0.22 2.22 2.07 0.09 -4.68 121.20 123.15 3mma s ILE 51 Ca -0.09 -1.08 -0.06 0.00 -1.41 0.00 0.00 60.65 58.01 3mma s ILE 51 Cb -0.15 -1.37 -0.02 0.00 0.13 0.00 0.00 42.46 41.04 3mma s ILE 51 CO 0.00 0.26 0.02 -0.31 -1.91 0.00 0.00 174.94 173.01 3mma s TYR 52 N -0.70 3.06 -0.40 3.50 1.51 0.68 -0.20 117.35 124.79 3mma s TYR 52 Ca 0.07 -0.46 -0.16 0.00 -1.01 0.00 0.00 57.07 55.51 3mma s TYR 52 Cb -0.08 -2.14 0.02 0.00 -0.11 0.00 0.00 41.96 39.64 3mma s TYR 52 CO 0.01 -0.29 0.35 0.08 -1.11 0.00 0.00 175.55 174.59 3mma s VAL 53 N 1.22 5.19 -0.21 0.71 1.01 0.15 -1.04 120.40 127.44 3mma s VAL 53 Ca 0.04 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 3mma s VAL 53 Cb -0.15 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 3mma s VAL 53 CO 0.02 -0.31 0.06 -0.69 0.00 0.00 0.00 175.10 174.18 3mma s VAL 54 N 1.88 4.58 -0.03 2.92 1.01 -0.30 -0.87 120.40 129.60 3mma s VAL 54 Ca 0.08 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 61.99 3mma s VAL 54 Cb -0.18 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 3mma s VAL 54 CO 0.12 0.41 -0.07 -0.60 0.00 0.00 0.00 175.10 174.95 3mma s ARG 55 N 0.87 2.62 -0.01 2.72 3.52 0.25 -1.32 118.95 127.61 3mma s ARG 55 Ca 0.04 -0.66 0.00 0.00 -0.13 0.00 0.00 55.73 54.98 3mma s ARG 55 Cb -0.14 -2.53 0.01 0.00 -1.56 0.00 0.00 34.95 30.73 3mma s ARG 55 CO 0.02 0.63 -0.00 -0.06 -0.81 0.00 0.00 175.30 175.08 3mma s PHE 56 N -0.91 0.10 0.53 5.12 0.40 0.18 -1.56 117.98 121.83 3mma s PHE 56 Ca 0.15 0.01 -0.20 0.00 -0.60 0.00 0.00 56.93 56.28 3mma s PHE 56 Cb -0.11 -0.11 -0.06 0.00 0.51 0.00 0.00 43.02 43.25 3mma s PHE 56 CO 0.05 -0.02 1.13 0.20 0.70 0.00 0.00 175.22 177.28 3mma s GLY 57 N 0.22 2.66 0.03 4.36 0.00 0.52 -1.09 107.32 114.02 3mma s GLY 57 Ca -0.02 0.84 -0.05 0.00 0.00 0.00 0.00 44.72 45.48 3mma s GLY 57 CO -0.01 1.21 0.10 -0.51 0.00 0.00 0.00 173.10 173.89 3mma s THR 58 N -1.74 0.12 -2.00 0.90 -4.23 -1.26 -3.98 115.64 103.45 3mma s THR 58 Ca 0.71 -0.98 0.10 0.00 -1.18 0.00 0.00 61.69 60.34 3mma s THR 58 Cb -0.24 -0.73 0.29 0.00 1.34 0.00 0.00 72.50 73.16 3mma s THR 58 CO 0.28 -0.54 1.29 -0.81 -0.54 0.00 0.00 174.62 174.30 3mma n PRO 59 N 1.00 0.88 0.00 3.99 -0.04 -1.26 -4.92 135.00 134.65 3mma n PRO 59 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 3mma n PRO 59 Cb 0.57 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 3mma n PRO 59 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3mma n ARG 60 N -0.68 0.00 -1.79 0.54 0.63 -1.26 -4.80 116.66 109.30 3mma n ARG 60 Ca 0.08 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.58 3mma n ARG 60 Cb 0.03 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.92 3mma n ARG 60 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 3mma s LEU 61 N 0.00 3.47 -0.01 6.15 2.96 -1.26 -4.96 118.68 125.02 3mma s LEU 61 Ca 0.00 1.62 0.03 0.00 -0.22 0.00 0.00 54.13 55.56 3mma s LEU 61 Cb 0.00 -3.51 -0.03 0.00 0.50 0.00 0.00 46.19 43.14 3mma s LEU 61 CO 0.00 -1.85 -0.08 -0.76 -1.32 0.00 0.00 176.35 172.34 3mma s LEU 62 N 7.68 3.08 0.18 -0.68 1.02 -1.26 -5.11 118.68 123.59 3mma s LEU 62 Ca 0.91 -0.15 -0.30 0.00 0.02 0.00 0.00 54.13 54.61 3mma s LEU 62 Cb -0.28 -1.74 -0.08 0.00 0.02 0.00 0.00 46.19 44.11 3mma s LEU 62 CO 0.34 0.30 1.05 -0.55 0.02 0.00 0.00 176.35 177.51 3mma s SER 63 N -1.24 7.38 0.55 2.29 0.15 -1.26 -4.94 113.70 116.64 3mma s SER 63 Ca 0.15 2.02 0.29 0.00 0.70 0.00 0.00 55.95 59.12 3mma s SER 63 Cb -0.11 -2.60 1.46 0.00 -1.71 0.00 0.00 66.02 63.06 3mma s SER 63 CO 0.05 -0.12 1.91 0.16 1.20 0.00 0.00 173.24 176.44 3mma h ILE 64 N 3.63 0.52 0.00 6.45 3.07 -1.99 0.21 117.51 129.41 3mma h ILE 64 Ca -0.44 0.00 -0.13 0.00 1.55 0.00 0.00 64.86 65.84 3mma h ILE 64 Cb 1.21 0.60 -0.02 0.00 -0.27 0.00 0.00 36.82 38.35 3mma h ILE 64 CO 0.71 0.00 -0.60 1.88 -1.05 0.00 0.00 178.15 179.09 3mma h TYR 65 N 0.00 0.00 -0.41 0.16 -1.99 -1.99 0.19 116.97 112.93 3mma h TYR 65 Ca 0.33 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.92 3mma h TYR 65 Cb 1.41 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.14 3mma h TYR 65 CO 0.00 0.60 -0.28 1.15 -0.00 0.00 0.00 178.16 179.63 3mma h THR 66 N 0.00 1.27 -0.69 -2.88 2.02 -1.06 -2.18 112.91 109.38 3mma h THR 66 Ca -0.01 -1.44 -0.06 0.00 0.77 0.00 0.00 66.41 65.67 3mma h THR 66 Cb 1.13 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 68.80 3mma h THR 66 CO 0.08 0.49 0.21 0.58 0.37 0.00 0.00 175.52 177.24 3mma h VAL 67 N 0.74 1.25 -0.55 3.16 2.07 -0.08 -0.15 116.25 122.69 3mma h VAL 67 Ca 0.08 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 3mma h VAL 67 Cb 0.86 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 3mma h VAL 67 CO 0.08 0.35 0.29 0.03 0.02 0.00 0.00 177.57 178.33 3mma h ARG 68 N 1.03 0.78 -0.26 1.57 3.08 -0.65 -1.19 114.38 118.75 3mma h ARG 68 Ca 0.22 -0.10 0.03 0.00 0.07 0.00 0.00 59.98 60.21 3mma h ARG 68 Cb 0.30 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 3mma h ARG 68 CO -0.01 0.62 0.07 0.93 -1.07 0.00 0.00 179.97 180.51 3mma h GLU 69 N 0.75 0.17 -0.03 0.04 5.08 -1.00 -1.87 114.58 117.72 3mma h GLU 69 Ca 0.19 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3mma h GLU 69 Cb 0.07 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 3mma h GLU 69 CO -0.03 0.11 -0.05 -0.07 -1.00 0.00 0.00 179.01 177.98 3mma h LEU 70 N 0.18 0.03 -0.38 1.33 3.38 -0.77 -1.89 115.31 117.19 3mma h LEU 70 Ca 0.12 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 3mma h LEU 70 Cb 0.11 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3mma h LEU 70 CO -0.14 0.09 -0.04 0.00 0.09 0.00 0.00 178.44 178.43 3mma h ASP 72 N 0.52 0.63 -0.36 0.00 3.32 -0.59 -0.41 116.42 119.53 3mma h ASP 72 Ca 0.10 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 3mma h ASP 72 Cb 0.53 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 3mma h ASP 72 CO 0.03 0.45 0.06 0.40 -1.72 0.00 0.00 179.24 178.45 3mma h ILE 73 N 0.76 1.24 -0.57 0.35 2.04 -1.33 -2.11 117.51 117.89 3mma h ILE 73 Ca 0.24 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 3mma h ILE 73 Cb -0.01 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 3mma h ILE 73 CO -0.09 0.28 0.31 0.00 0.00 0.00 0.00 178.15 178.66 3mma h ALA 74 N 0.90 1.48 -0.15 1.87 0.00 -0.72 0.68 119.26 123.32 3mma h ALA 74 Ca 0.11 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3mma h ALA 74 Cb 0.36 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3mma h ALA 74 CO 0.01 0.43 -0.23 -0.44 0.00 0.00 0.00 179.25 179.02 3mma h ASP 75 N 0.79 0.26 0.58 0.00 3.32 -0.76 0.65 116.42 121.26 3mma h ASP 75 Ca 0.20 -0.07 -0.28 0.00 0.02 0.00 0.00 57.03 56.90 3mma h ASP 75 Cb 0.02 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3mma h ASP 75 CO -0.03 0.50 -1.39 0.50 -1.72 0.00 0.00 179.24 177.10 3mma h LYS 76 N 0.24 0.20 0.00 3.56 3.64 -0.58 -3.38 116.57 120.26 3mma h LYS 76 Ca 0.04 -0.33 -0.00 0.00 -1.27 0.00 0.00 60.65 59.08 3mma h LYS 76 Cb 0.54 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.49 3mma h LYS 76 CO 0.04 1.07 -1.05 0.66 -2.27 0.00 0.00 179.45 177.90 3mma n TYR 77 N -3.42 0.00 -2.34 1.91 4.02 0.12 -4.76 117.16 112.68 3mma n TYR 77 Ca -0.12 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.71 3mma n TYR 77 Cb 1.02 -0.03 0.06 0.00 -0.02 0.00 0.00 39.34 40.37 3mma n TYR 77 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3mma n SER 78 N -1.66 2.52 -2.06 7.72 3.41 -0.25 -4.50 113.62 118.79 3mma n SER 78 Ca -0.01 -2.83 -0.13 0.00 -0.26 0.00 0.00 58.87 55.64 3mma n SER 78 Cb 0.16 -0.41 -0.02 0.00 -0.26 0.00 0.00 64.21 63.67 3mma n SER 78 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3mma n ASP 79 N -0.51 -3.93 0.00 4.04 8.00 -0.89 -0.93 116.55 122.32 3mma n ASP 79 Ca 0.20 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.93 3mma n ASP 79 Cb 0.90 -3.44 0.00 0.00 -0.02 0.00 0.00 41.12 38.56 3mma n ASP 79 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mma n GLY 80 N -0.62 0.46 3.34 0.44 0.00 0.06 -4.92 105.19 103.95 3mma n GLY 80 Ca -0.15 -0.96 -0.24 0.00 0.00 0.00 0.00 46.02 44.67 3mma n GLY 80 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mma s TYR 81 N -2.00 1.95 -0.07 1.61 1.51 -0.11 -4.88 117.35 115.36 3mma s TYR 81 Ca 0.00 -0.42 -0.29 0.00 -1.01 0.00 0.00 57.07 55.34 3mma s TYR 81 Cb 0.00 -1.01 0.10 0.00 -0.11 0.00 0.00 41.96 40.94 3mma s TYR 81 CO 0.00 0.33 0.87 -1.17 -1.11 0.00 0.00 175.55 174.46 3mma s LEU 82 N -2.37 -0.45 0.13 -1.29 2.96 -1.26 -4.33 118.68 112.08 3mma s LEU 82 Ca 0.14 0.32 -0.06 0.00 -0.22 0.00 0.00 54.13 54.31 3mma s LEU 82 Cb -0.08 2.11 -0.02 0.00 0.50 0.00 0.00 46.19 48.71 3mma s LEU 82 CO 0.06 -0.53 0.18 0.00 -1.32 0.00 0.00 176.35 174.74 3mma s ARG 83 N -1.92 0.98 0.25 1.98 1.70 -0.63 -5.01 118.95 116.31 3mma s ARG 83 Ca -0.02 -1.19 0.06 0.00 -0.47 0.00 0.00 55.73 54.12 3mma s ARG 83 Cb -0.01 0.32 -0.03 0.00 -0.57 0.00 0.00 34.95 34.67 3mma s ARG 83 CO -0.01 -0.32 0.28 -1.58 -1.08 0.00 0.00 175.30 172.59 3mma s TRP 84 N -3.96 3.25 0.59 5.89 0.51 -1.26 -0.91 118.94 123.04 3mma s TRP 84 Ca 0.15 -0.09 0.04 0.00 -2.12 0.00 0.00 56.10 54.09 3mma s TRP 84 Cb 0.05 -1.52 0.07 0.00 -0.81 0.00 0.00 33.47 31.27 3mma s TRP 84 CO -0.03 0.45 0.81 0.95 -0.51 0.00 0.00 176.95 178.62 3mma s THR 85 N -2.08 2.41 -1.59 2.01 -4.23 0.25 -4.91 115.64 107.50 3mma s THR 85 Ca 0.34 -0.79 0.25 0.00 -1.18 0.00 0.00 61.69 60.31 3mma s THR 85 Cb -0.08 -2.62 0.51 0.00 1.34 0.00 0.00 72.50 71.64 3mma s THR 85 CO 0.27 0.00 1.82 -1.54 -0.54 0.00 0.00 174.62 174.63 3mma n SER 86 N -2.39 0.00 -0.56 3.99 3.41 -1.26 -1.48 113.62 115.33 3mma n SER 86 Ca 0.12 -0.27 0.09 0.00 -0.26 0.00 0.00 58.87 58.56 3mma n SER 86 Cb 0.60 -0.20 0.21 0.00 -0.26 0.00 0.00 64.21 64.56 3mma n SER 86 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3mma n ARG 87 N -1.20 2.23 -2.36 4.33 1.74 -1.26 -5.01 116.66 115.13 3mma n ARG 87 Ca 0.14 -2.75 -0.11 0.00 -0.77 0.00 0.00 57.85 54.36 3mma n ARG 87 Cb 0.16 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 29.90 3mma n ARG 87 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3mma n ASN 88 N -0.90 -3.66 -4.96 0.55 3.02 -0.55 -4.63 115.26 104.13 3mma n ASN 88 Ca 0.19 -0.06 -0.22 0.00 -0.03 0.00 0.00 54.58 54.46 3mma n ASN 88 Cb 0.79 -2.79 0.02 0.00 -0.61 0.00 0.00 39.78 37.19 3mma n ASN 88 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3mma s ASN 89 N -2.63 5.70 0.06 6.41 0.02 -1.26 -4.25 114.94 118.99 3mma s ASN 89 Ca 0.05 0.17 0.07 0.00 -1.02 0.00 0.00 52.86 52.14 3mma s ASN 89 Cb -0.02 -1.33 -0.03 0.00 0.02 0.00 0.00 41.25 39.88 3mma s ASN 89 CO 0.07 -0.79 -0.18 0.54 0.02 0.00 0.00 177.10 176.75 3mma s VAL 90 N -2.58 2.81 0.02 1.60 0.11 -0.25 -0.59 120.40 121.52 3mma s VAL 90 Ca 0.50 -1.24 0.04 0.00 -2.93 0.00 0.00 61.98 58.36 3mma s VAL 90 Cb -0.10 -2.20 -0.02 0.00 -1.53 0.00 0.00 36.38 32.53 3mma s VAL 90 CO 0.37 0.29 -0.14 -1.61 -3.33 0.00 0.00 175.10 170.69 3mma s GLU 91 N -1.57 0.98 0.25 1.54 2.02 -0.09 -0.65 118.70 121.18 3mma s GLU 91 Ca 0.15 -0.64 0.12 0.00 0.02 0.00 0.00 54.97 54.62 3mma s GLU 91 Cb -0.11 -0.97 -0.05 0.00 0.10 0.00 0.00 34.13 33.10 3mma s GLU 91 CO 0.06 0.25 -0.21 -0.06 0.02 0.00 0.00 175.26 175.32 3mma s PHE 92 N -0.63 2.28 -0.25 1.61 0.40 -0.43 -1.60 117.98 119.35 3mma s PHE 92 Ca 0.03 -0.35 0.03 0.00 -0.60 0.00 0.00 56.93 56.04 3mma s PHE 92 Cb -0.07 -1.04 0.06 0.00 0.51 0.00 0.00 43.02 42.48 3mma s PHE 92 CO 0.01 0.63 -0.12 -0.06 0.70 0.00 0.00 175.22 176.38 3mma s PHE 93 N -2.22 3.23 -0.13 0.36 0.08 -1.26 -1.15 117.98 116.89 3mma s PHE 93 Ca 0.26 -2.28 0.01 0.00 0.12 0.00 0.00 56.93 55.04 3mma s PHE 93 Cb -0.06 -1.93 -0.01 0.00 -0.57 0.00 0.00 43.02 40.46 3mma s PHE 93 CO 0.13 -0.87 -0.16 0.08 -0.10 0.00 0.00 175.22 174.29 3mma s VAL 94 N 1.11 2.71 -0.14 -0.44 1.01 -0.21 -4.13 120.40 120.32 3mma s VAL 94 Ca -0.08 -0.77 0.12 0.00 0.00 0.00 0.00 61.98 61.25 3mma s VAL 94 Cb -0.20 -2.12 -0.24 0.00 0.00 0.00 0.00 36.38 33.82 3mma s VAL 94 CO -0.06 0.53 0.29 0.35 0.00 0.00 0.00 175.10 176.21 3mma n THR 95 N 3.74 1.52 -2.85 3.92 -2.24 -1.26 -0.23 114.28 116.87 3mma n THR 95 Ca -0.19 -0.79 -0.43 0.00 -2.27 0.00 0.00 64.05 60.37 3mma n THR 95 Cb 0.52 -0.88 -0.04 0.00 -2.10 0.00 0.00 70.33 67.84 3mma n THR 95 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3mma s ASP 96 N -5.95 6.18 0.50 3.42 -1.08 -1.26 -4.88 116.67 113.60 3mma s ASP 96 Ca -0.11 -0.94 0.21 0.00 -0.52 0.00 0.00 52.55 51.18 3mma s ASP 96 Cb 0.07 -2.42 1.27 0.00 -1.46 0.00 0.00 42.92 40.38 3mma s ASP 96 CO 0.80 -1.43 1.99 1.05 0.52 0.00 0.00 175.17 178.10 3mma h GLU 97 N 9.56 0.14 0.00 4.34 -0.00 -1.96 0.21 114.58 126.86 3mma h GLU 97 Ca -0.29 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.07 3mma h GLU 97 Cb 1.07 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 29.79 3mma h GLU 97 CO 1.18 0.09 0.00 -1.13 -0.00 0.00 0.00 179.01 179.15 3mma n SER 98 N -4.42 0.00 -0.00 3.06 3.41 -1.26 -2.66 113.62 111.75 3mma n SER 98 Ca 0.10 -0.75 0.06 0.00 -0.26 0.00 0.00 58.87 58.02 3mma n SER 98 Cb 0.52 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.39 3mma n SER 98 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3mma n LYS 99 N -0.95 2.51 -0.18 4.33 4.76 0.73 -4.71 118.16 124.64 3mma n LYS 99 Ca 0.15 -0.01 -0.05 0.00 -2.87 0.00 0.00 58.31 55.53 3mma n LYS 99 Cb 0.07 -1.13 0.01 0.00 -1.84 0.00 0.00 35.03 32.14 3mma n LYS 99 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 3mma h ILE 100 N 0.00 0.22 -0.10 -0.18 2.04 -1.57 -1.73 117.51 116.19 3mma h ILE 100 Ca 0.00 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.75 3mma h ILE 100 Cb 0.34 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3mma h ILE 100 CO 0.00 0.00 -0.44 0.44 0.00 0.00 0.00 178.15 178.15 3mma h ASP 101 N -0.16 0.25 -0.18 1.72 3.32 -1.84 -0.77 116.42 118.77 3mma h ASP 101 Ca 0.23 -0.11 0.05 0.00 0.02 0.00 0.00 57.03 57.22 3mma h ASP 101 Cb 0.53 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.96 3mma h ASP 101 CO -0.64 0.66 -0.15 0.44 -1.72 0.00 0.00 179.24 177.84 3mma h ASP 102 N 0.20 -0.47 0.26 6.45 5.19 -1.69 -0.79 116.42 125.57 3mma h ASP 102 Ca 0.02 0.10 0.01 0.00 -0.62 0.00 0.00 57.03 56.53 3mma h ASP 102 Cb 0.86 0.24 -0.03 0.00 0.18 0.00 0.00 39.33 40.57 3mma h ASP 102 CO 0.07 -0.19 -0.33 0.25 -3.12 0.00 0.00 179.24 175.92 3mma h LEU 103 N -0.16 -0.92 -0.75 1.55 5.85 -0.87 -0.48 115.31 119.53 3mma h LEU 103 Ca 0.11 0.09 0.12 0.00 0.84 0.00 0.00 57.88 59.04 3mma h LEU 103 Cb 0.32 0.33 -0.08 0.00 0.37 0.00 0.00 40.66 41.59 3mma h LEU 103 CO -0.28 -0.45 0.35 0.40 -0.34 0.00 0.00 178.44 178.12 3mma h ILE 104 N -0.64 0.76 -0.11 4.05 2.04 -1.02 0.10 117.51 122.68 3mma h ILE 104 Ca -0.00 -0.19 -0.16 0.00 1.00 0.00 0.00 64.86 65.51 3mma h ILE 104 Cb 0.61 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3mma h ILE 104 CO -0.11 0.10 -0.60 0.78 0.00 0.00 0.00 178.15 178.32 3mma h ASN 105 N 0.55 0.44 0.10 1.72 2.35 -0.98 -1.94 115.58 117.82 3mma h ASN 105 Ca 0.39 -0.25 -0.21 0.00 -0.55 0.00 0.00 56.30 55.69 3mma h ASN 105 Cb 0.51 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.75 3mma h ASN 105 CO -0.33 0.94 -0.78 -0.08 -1.65 0.00 0.00 177.43 175.52 3mma h GLU 106 N 0.29 0.57 -0.02 0.81 4.81 -0.03 -1.57 114.58 119.43 3mma h GLU 106 Ca -0.01 -0.48 -0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3mma h GLU 106 Cb 1.13 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 3mma h GLU 106 CO 0.10 1.11 0.01 0.28 -0.73 0.00 0.00 179.01 179.78 3mma h VAL 107 N 0.38 1.17 -0.57 0.32 2.07 -0.83 -0.05 116.25 118.75 3mma h VAL 107 Ca -0.05 -0.51 0.11 0.00 0.82 0.00 0.00 66.70 67.07 3mma h VAL 107 Cb 1.39 1.48 -0.09 0.00 -1.52 0.00 0.00 31.29 32.55 3mma h VAL 107 CO 0.15 0.14 0.04 1.56 0.02 0.00 0.00 177.57 179.47 3mma h GLN 108 N -0.18 0.15 -0.10 1.57 7.50 -1.33 -1.33 115.11 121.39 3mma h GLN 108 Ca 0.01 -0.01 -0.14 0.00 0.50 0.00 0.00 58.65 59.01 3mma h GLN 108 Cb 0.22 -0.03 0.01 0.00 0.05 0.00 0.00 27.48 27.72 3mma h GLN 108 CO -0.00 0.10 -0.48 1.49 -1.50 0.00 0.00 178.83 178.44 3mma h GLU 109 N 0.16 0.50 0.21 1.46 4.81 -1.13 -2.46 114.58 118.13 3mma h GLU 109 Ca 0.30 -0.40 -0.33 0.00 -0.13 0.00 0.00 59.36 58.79 3mma h GLU 109 Cb 0.46 0.08 0.02 0.00 0.63 0.00 0.00 28.75 29.95 3mma h GLU 109 CO -0.45 1.03 -1.51 0.00 -0.73 0.00 0.00 179.01 177.36 3mma h ARG 110 N 0.08 0.45 0.00 1.92 3.08 -0.81 -3.39 114.38 115.71 3mma h ARG 110 Ca -0.03 -0.77 0.00 0.00 0.07 0.00 0.00 59.98 59.25 3mma h ARG 110 Cb 1.12 0.29 0.00 0.00 0.08 0.00 0.00 29.97 31.46 3mma h ARG 110 CO 0.10 1.36 -0.40 1.33 -1.07 0.00 0.00 179.97 181.29 3mma n VAL 111 N -3.64 0.00 -2.03 2.04 0.24 -0.53 -5.02 118.33 109.39 3mma n VAL 111 Ca -0.17 -0.33 -0.06 0.00 -2.04 0.00 0.00 64.34 61.74 3mma n VAL 111 Cb 1.08 0.84 -0.00 0.00 -1.47 0.00 0.00 33.84 34.29 3mma n VAL 111 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3mma n GLY 112 N 1.44 0.19 3.75 7.63 0.00 -0.93 -5.03 105.19 112.24 3mma n GLY 112 Ca 0.00 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 3mma n GLY 112 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mma s PHE 113 N -2.29 3.43 0.06 1.61 0.40 -1.25 -4.99 117.98 114.96 3mma s PHE 113 Ca 0.00 0.35 -0.17 0.00 -0.60 0.00 0.00 56.93 56.51 3mma s PHE 113 Cb 0.00 -2.09 -0.06 0.00 0.51 0.00 0.00 43.02 41.37 3mma s PHE 113 CO 0.00 0.39 0.50 -1.25 0.70 0.00 0.00 175.22 175.56 3mma s PRO 114 N 0.01 4.06 0.15 0.24 0.04 -1.26 -3.90 135.00 134.34 3mma s PRO 114 Ca 0.09 0.57 -0.30 0.00 0.04 0.00 0.00 61.00 61.40 3mma s PRO 114 Cb -0.11 -3.18 -0.07 0.00 0.04 0.00 0.00 34.50 31.17 3mma s PRO 114 CO -0.00 0.63 1.17 0.00 0.04 0.00 0.00 177.00 178.84 3mma n GLY 116 N 2.37 -0.02 2.38 0.00 0.00 -0.60 -4.60 105.19 104.72 3mma n GLY 116 Ca 0.05 -0.94 -0.15 0.00 0.00 0.00 0.00 46.02 44.98 3mma n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mma n GLY 117 N 0.00 0.85 3.91 -0.02 0.00 0.70 -4.25 105.19 106.38 3mma n GLY 117 Ca 0.00 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 3mma n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mma s THR 118 N -2.63 2.12 0.16 2.61 -4.23 -1.26 -4.70 115.64 107.70 3mma s THR 118 Ca 0.00 -1.36 -0.12 0.00 -1.18 0.00 0.00 61.69 59.04 3mma s THR 118 Cb 0.00 -2.48 0.01 0.00 1.34 0.00 0.00 72.50 71.37 3mma s THR 118 CO 0.00 0.00 0.34 -1.66 -0.54 0.00 0.00 174.62 172.76 3mma s TRP 119 N -2.64 0.18 -0.30 3.99 -2.14 -1.26 -1.05 118.94 115.71 3mma s TRP 119 Ca 0.44 -0.54 -0.02 0.00 2.66 0.00 0.00 56.10 58.64 3mma s TRP 119 Cb -0.03 0.08 0.10 0.00 -3.10 0.00 0.00 33.47 30.52 3mma s TRP 119 CO 0.27 -0.74 0.11 0.34 -2.66 0.00 0.00 176.95 174.26 3mma s ASP 120 N -2.91 3.87 0.27 -2.66 2.15 0.86 -4.93 116.67 113.32 3mma s ASP 120 Ca 0.12 -1.52 -0.04 0.00 0.43 0.00 0.00 52.55 51.53 3mma s ASP 120 Cb 0.02 -0.72 0.34 0.00 -0.30 0.00 0.00 42.92 42.27 3mma s ASP 120 CO -0.04 -0.42 1.94 0.00 -0.17 0.00 0.00 175.17 176.49 3mma h ALA 121 N 8.18 1.34 0.54 3.66 0.00 -1.94 0.27 119.26 131.31 3mma h ALA 121 Ca -0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3mma h ALA 121 Cb 1.02 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3mma h ALA 121 CO 0.46 0.61 -0.43 0.28 0.00 0.00 0.00 179.25 180.17 3mma h VAL 122 N 1.27 0.13 0.00 0.00 2.07 -1.95 -1.43 116.25 116.35 3mma h VAL 122 Ca 0.35 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.87 3mma h VAL 122 Cb -0.13 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 3mma h VAL 122 CO -0.08 0.00 0.00 1.17 0.02 0.00 0.00 177.57 178.68 3mma n LYS 123 N -5.54 0.21 -2.87 1.57 3.00 -1.21 -4.93 118.16 108.38 3mma n LYS 123 Ca -0.12 0.24 -0.10 0.00 -0.00 0.00 0.00 58.31 58.33 3mma n LYS 123 Cb 0.43 -1.77 0.03 0.00 0.00 0.00 0.00 35.03 33.72 3mma n LYS 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3mma n GLY 124 N 0.99 0.28 3.11 3.14 0.00 0.78 -5.05 105.19 108.45 3mma n GLY 124 Ca 0.05 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 3mma n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mma s GLU 125 N -5.43 1.98 -0.04 1.61 2.02 -0.15 -4.70 118.70 114.00 3mma s GLU 125 Ca 0.22 -0.60 0.03 0.00 0.02 0.00 0.00 54.97 54.65 3mma s GLU 125 Cb -0.10 -1.64 0.00 0.00 0.10 0.00 0.00 34.13 32.50 3mma s GLU 125 CO 0.27 0.16 -0.13 0.71 0.02 0.00 0.00 175.26 176.30 3mma s TYR 126 N 0.29 1.35 0.39 1.61 1.51 0.11 -0.10 117.35 122.52 3mma s TYR 126 Ca -0.10 -0.39 -0.09 0.00 -1.01 0.00 0.00 57.07 55.48 3mma s TYR 126 Cb -0.14 -0.94 -0.06 0.00 -0.11 0.00 0.00 41.96 40.71 3mma s TYR 126 CO 0.04 -0.16 0.73 0.20 -1.11 0.00 0.00 175.55 175.25 3mma s GLY 127 N 0.22 1.87 -0.12 0.71 0.00 -0.22 -1.08 107.32 108.70 3mma s GLY 127 Ca -0.05 -0.30 -0.29 0.00 0.00 0.00 0.00 44.72 44.08 3mma s GLY 127 CO 0.02 -0.13 0.97 -2.27 0.00 0.00 0.00 173.10 171.68 3mma s LEU 128 N -3.90 4.23 0.00 0.66 2.96 0.34 -4.67 118.68 118.30 3mma s LEU 128 Ca 0.49 1.45 0.00 0.00 -0.22 0.00 0.00 54.13 55.85 3mma s LEU 128 Cb -0.10 -3.48 0.00 0.00 0.50 0.00 0.00 46.19 43.11 3mma s LEU 128 CO 0.33 -0.44 0.00 -0.24 -1.32 0.00 0.00 176.35 174.68 3mma n SER 129 N 5.07 0.00 -4.77 3.68 2.88 -1.26 -4.03 113.62 115.19 3mma n SER 129 Ca 0.08 -0.62 -0.33 0.00 -1.33 0.00 0.00 58.87 56.67 3mma n SER 129 Cb 0.49 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.00 3mma n SER 129 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 3mma s ASN 130 N -1.00 4.99 -0.34 -3.46 3.84 -1.26 -4.89 114.94 112.81 3mma s ASN 130 Ca 0.00 1.98 -0.21 0.00 0.21 0.00 0.00 52.86 54.84 3mma s ASN 130 Cb 0.00 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.15 3mma s ASN 130 CO 0.00 -1.71 0.65 -0.63 -2.79 0.00 0.00 177.10 172.62 3mma s ILE 131 N -2.43 4.89 0.16 -5.21 1.01 -1.26 -4.72 121.20 113.64 3mma s ILE 131 Ca 0.66 0.67 -0.31 0.00 0.00 0.00 0.00 60.65 61.67 3mma s ILE 131 Cb -0.20 -4.07 -0.10 0.00 0.01 0.00 0.00 42.46 38.10 3mma s ILE 131 CO 0.44 -0.29 1.52 0.68 0.00 0.00 0.00 174.94 177.30 3mma s VAL 132 N 2.72 2.74 0.28 2.92 -7.23 -1.22 -4.86 120.40 115.76 3mma s VAL 132 Ca 0.25 0.54 -0.16 0.00 -1.81 0.00 0.00 61.98 60.80 3mma s VAL 132 Cb -0.14 -3.35 0.01 0.00 0.56 0.00 0.00 36.38 33.46 3mma s VAL 132 CO 0.14 0.05 0.62 -1.38 -0.31 0.00 0.00 175.10 174.21 3mma s HIS 133 N 1.02 0.15 0.00 2.82 -0.00 -1.26 -0.11 115.29 117.90 3mma s HIS 133 Ca 0.68 -0.58 0.00 0.00 -0.00 0.00 0.00 55.06 55.16 3mma s HIS 133 Cb -0.42 0.47 0.00 0.00 -0.00 0.00 0.00 32.58 32.62 3mma s HIS 133 CO 0.32 -1.17 0.00 0.25 -0.00 0.00 0.00 174.74 174.14 3mma n THR 134 N -0.44 0.00 0.03 -5.38 -2.24 -1.26 -5.03 114.28 99.96 3mma n THR 134 Ca -0.03 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.56 3mma n THR 134 Cb 0.60 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.69 3mma n THR 134 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3mma h GLN 135 N 0.00 0.25 0.00 -0.78 1.08 -1.98 -3.42 115.11 110.26 3mma h GLN 135 Ca 0.00 -0.43 0.00 0.00 -1.45 0.00 0.00 58.65 56.77 3mma h GLN 135 Cb 0.00 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 3mma h GLN 135 CO 0.00 1.10 0.00 0.41 -0.95 0.00 0.00 178.83 179.39 3mma n GLY 136 N 1.81 2.90 0.05 3.46 0.00 -1.26 -2.40 105.19 109.75 3mma n GLY 136 Ca -0.24 -0.33 0.14 0.00 0.00 0.00 0.00 46.02 45.59 3mma n GLY 136 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3mma n TRP 137 N 14.00 0.00 0.05 1.61 8.01 -1.26 -1.57 117.44 138.28 3mma n TRP 137 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 3mma n TRP 137 Cb 0.00 -0.30 0.32 0.00 -2.01 0.00 0.00 31.31 29.32 3mma n TRP 137 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.69 177.50 3mma h ILE 138 N 0.24 1.20 0.00 -0.99 2.04 -1.88 -3.41 117.51 114.71 3mma h ILE 138 Ca 0.00 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 64.99 3mma h ILE 138 Cb 0.43 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 3mma h ILE 138 CO 0.00 0.28 0.00 1.57 0.00 0.00 0.00 178.15 180.00 3mma n HIS 139 N -4.25 0.00 -4.20 1.37 -0.00 -1.22 -5.14 115.22 101.78 3mma n HIS 139 Ca 0.00 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.85 3mma n HIS 139 Cb 0.28 0.01 -0.08 0.00 -0.12 0.00 0.00 29.99 30.08 3mma n HIS 139 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3mma n HIS 141 N 1.40 0.02 -0.67 0.00 1.44 -1.26 -4.30 115.22 111.85 3mma n HIS 141 Ca -0.14 0.01 0.07 0.00 -2.01 0.00 0.00 57.72 55.64 3mma n HIS 141 Cb 0.53 -0.22 0.20 0.00 0.12 0.00 0.00 29.99 30.62 3mma n HIS 141 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 3mma n THR 142 N -1.53 1.76 -2.49 0.61 -2.24 -1.26 -5.06 114.28 104.07 3mma n THR 142 Ca 0.05 -1.56 -0.36 0.00 -2.27 0.00 0.00 64.05 59.91 3mma n THR 142 Cb 0.34 0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 3mma n THR 142 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3mma s PRO 143 N -2.11 4.06 -0.07 -0.78 0.04 -1.26 -4.71 135.00 130.17 3mma s PRO 143 Ca 0.33 1.55 0.04 0.00 0.04 0.00 0.00 61.00 62.96 3mma s PRO 143 Cb 0.25 -2.48 -0.25 0.00 0.04 0.00 0.00 34.50 32.06 3mma s PRO 143 CO 0.10 -0.24 0.55 0.00 0.04 0.00 0.00 177.00 177.46 3mma h ALA 144 N 2.34 0.62 -1.93 8.56 0.00 -0.92 -3.49 119.26 124.44 3mma h ALA 144 Ca -0.49 -1.42 -0.53 0.00 0.00 0.00 0.00 54.91 52.47 3mma h ALA 144 Cb 1.22 0.57 -0.14 0.00 0.00 0.00 0.00 17.79 19.44 3mma h ALA 144 CO 0.62 1.46 -0.62 0.96 0.00 0.00 0.00 179.25 181.66 3mma s ILE 145 N -2.58 1.56 0.44 0.00 -4.36 -1.04 -4.28 121.20 110.94 3mma s ILE 145 Ca -0.12 -2.03 -0.20 0.00 -0.26 0.00 0.00 60.65 58.03 3mma s ILE 145 Cb 0.07 -2.78 -0.10 0.00 1.25 0.00 0.00 42.46 40.90 3mma s ILE 145 CO 0.80 -0.07 0.96 -0.62 0.24 0.00 0.00 174.94 176.25 3mma s ASP 146 N -3.55 6.87 -0.17 4.36 2.15 -1.26 -4.38 116.67 120.69 3mma s ASP 146 Ca 0.34 1.68 -0.14 0.00 0.43 0.00 0.00 52.55 54.87 3mma s ASP 146 Cb 0.08 -2.54 -0.07 0.00 -0.30 0.00 0.00 42.92 40.09 3mma s ASP 146 CO 0.16 -0.41 -0.20 0.00 -0.17 0.00 0.00 175.17 174.55 3mma n ALA 147 N -0.78 0.69 0.07 3.66 0.00 -1.26 -4.27 120.51 118.62 3mma n ALA 147 Ca 0.07 -0.61 0.02 0.00 0.00 0.00 0.00 53.44 52.92 3mma n ALA 147 Cb 0.54 -0.05 0.37 0.00 0.00 0.00 0.00 19.45 20.32 3mma n ALA 147 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3mma h SER 148 N -1.00 0.33 -0.20 0.00 0.02 -1.84 -2.47 113.55 108.39 3mma h SER 148 Ca -0.11 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 60.73 3mma h SER 148 Cb 0.86 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 3mma h SER 148 CO -0.07 0.42 -0.08 1.23 -1.14 0.00 0.00 176.83 177.19 3mma h GLY 149 N 0.72 0.45 0.80 -3.77 0.00 -1.93 -2.40 103.07 96.93 3mma h GLY 149 Ca 0.08 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 3mma h GLY 149 CO 0.01 0.36 -0.10 -2.22 0.00 0.00 0.00 176.54 174.59 3mma h ILE 150 N 0.11 1.31 -0.22 2.60 2.04 -1.66 -0.91 117.51 120.79 3mma h ILE 150 Ca 0.05 -1.16 0.04 0.00 1.00 0.00 0.00 64.86 64.79 3mma h ILE 150 Cb 0.56 1.67 -0.04 0.00 -0.74 0.00 0.00 36.82 38.27 3mma h ILE 150 CO 0.03 0.35 -0.06 0.58 0.00 0.00 0.00 178.15 179.05 3mma h VAL 151 N 0.09 0.77 -0.33 1.67 2.07 -1.57 0.18 116.25 119.13 3mma h VAL 151 Ca 0.04 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.63 3mma h VAL 151 Cb 0.59 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 3mma h VAL 151 CO 0.03 0.00 -0.07 0.50 0.02 0.00 0.00 177.57 178.05 3mma h LYS 152 N -0.01 0.02 -0.54 1.57 1.63 -1.39 0.16 116.57 118.01 3mma h LYS 152 Ca 0.11 -0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.83 3mma h LYS 152 Cb 0.17 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.77 3mma h LYS 152 CO -0.23 0.01 0.05 0.00 -3.45 0.00 0.00 179.45 175.83 3mma h ALA 153 N 1.32 1.07 -0.20 5.00 0.00 -0.61 -1.20 119.26 124.64 3mma h ALA 153 Ca 0.16 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 3mma h ALA 153 Cb 0.24 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3mma h ALA 153 CO -0.33 0.59 -0.22 0.28 0.00 0.00 0.00 179.25 179.57 3mma h VAL 154 N 0.83 1.33 -0.05 0.00 2.07 -0.45 -3.13 116.25 116.84 3mma h VAL 154 Ca 0.16 -1.39 -0.10 0.00 0.82 0.00 0.00 66.70 66.19 3mma h VAL 154 Cb 0.43 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 3mma h VAL 154 CO 0.01 0.43 -0.42 0.24 0.02 0.00 0.00 177.57 177.85 3mma h MET 155 N 0.19 0.12 -0.47 1.57 2.07 -0.54 -0.87 114.93 117.00 3mma h MET 155 Ca 0.03 -0.06 0.03 0.00 -2.07 0.00 0.00 59.70 57.64 3mma h MET 155 Cb 0.77 -0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 30.47 3mma h MET 155 CO 0.05 0.53 0.25 -0.44 1.07 0.00 0.00 176.91 178.37 3mma h ASP 156 N 0.10 0.38 0.61 1.22 3.32 -1.26 -0.35 116.42 120.44 3mma h ASP 156 Ca 0.01 0.02 -0.15 0.00 0.02 0.00 0.00 57.03 56.93 3mma h ASP 156 Cb 0.79 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 3mma h ASP 156 CO 0.06 0.27 -0.67 -0.33 -1.72 0.00 0.00 179.24 176.84 3mma h GLU 157 N 0.50 0.06 -0.53 3.56 4.39 -1.32 -3.24 114.58 117.99 3mma h GLU 157 Ca 0.20 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.85 3mma h GLU 157 Cb 0.08 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3mma h GLU 157 CO -0.13 0.71 0.00 1.28 -1.16 0.00 0.00 179.01 179.71 3mma n LEU 158 N -3.76 3.42 -0.30 1.33 4.77 -0.40 -4.71 117.00 117.36 3mma n LEU 158 Ca -0.01 -1.99 0.09 0.00 -0.03 0.00 0.00 56.01 54.07 3mma n LEU 158 Cb 0.66 -0.36 0.26 0.00 -2.33 0.00 0.00 43.42 41.65 3mma n LEU 158 CO 0.43 0.86 1.08 0.22 -1.33 0.00 0.00 177.39 178.65 3mma h TYR 159 N 3.13 0.72 -0.33 -1.77 3.20 -1.09 0.99 116.97 121.82 3mma h TYR 159 Ca 0.00 0.04 0.10 0.00 3.14 0.00 0.00 58.73 62.00 3mma h TYR 159 Cb 0.86 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 3mma h TYR 159 CO 0.36 0.09 0.31 1.05 -1.64 0.00 0.00 178.16 178.33 3mma h GLU 160 N 0.54 0.00 0.00 1.82 4.11 -1.86 0.37 114.58 119.55 3mma h GLU 160 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.93 3mma h GLU 160 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 3mma h GLU 160 CO -0.43 0.00 -0.32 1.88 0.07 0.00 0.00 179.01 180.21 3mma h TYR 161 N 0.00 0.00 0.05 2.06 -1.99 -1.09 -3.18 116.97 112.81 3mma h TYR 161 Ca 0.16 0.00 -0.23 0.00 2.00 0.00 0.00 58.73 60.66 3mma h TYR 161 Cb 0.78 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.50 3mma h TYR 161 CO 0.00 0.00 -1.06 0.35 -0.00 0.00 0.00 178.16 177.45 3mma h PHE 162 N 0.00 0.28 -0.01 4.88 3.57 -0.94 0.97 116.94 125.69 3mma h PHE 162 Ca 0.00 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.31 3mma h PHE 162 Cb 0.80 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.53 3mma h PHE 162 CO 0.00 1.11 -0.54 0.25 -2.23 0.00 0.00 178.31 176.90 3mma n THR 163 N -3.51 0.00 -4.14 4.41 -2.24 -1.18 -0.22 114.28 107.40 3mma n THR 163 Ca -0.04 -0.15 -0.09 0.00 -2.27 0.00 0.00 64.05 61.50 3mma n THR 163 Cb 0.94 0.89 -0.10 0.00 -2.10 0.00 0.00 70.33 69.95 3mma n THR 163 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3mma s ASP 164 N -2.65 0.44 -1.15 3.42 3.68 -1.20 -4.75 116.67 114.45 3mma s ASP 164 Ca 0.17 -1.15 -0.06 0.00 2.13 0.00 0.00 52.55 53.64 3mma s ASP 164 Cb 0.18 0.26 0.26 0.00 -1.45 0.00 0.00 42.92 42.16 3mma s ASP 164 CO 0.64 -0.68 1.60 1.41 0.13 0.00 0.00 175.17 178.27 3mma n HIS 165 N -0.05 2.61 1.04 -5.34 8.25 -1.26 -4.01 115.22 116.45 3mma n HIS 165 Ca -0.08 -2.70 0.11 0.00 -0.26 0.00 0.00 57.72 54.79 3mma n HIS 165 Cb 0.63 -1.51 0.04 0.00 1.12 0.00 0.00 29.99 30.27 3mma n HIS 165 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3mma n LYS 166 N 2.28 0.69 -4.05 -0.41 5.02 -0.97 -4.00 118.16 116.72 3mma n LYS 166 Ca 0.31 -0.54 -0.29 0.00 -2.02 0.00 0.00 58.31 55.77 3mma n LYS 166 Cb 0.34 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.81 3mma n LYS 166 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3mma s LEU 167 N -2.68 3.84 0.17 -0.35 1.43 -0.24 -4.90 118.68 115.94 3mma s LEU 167 Ca 0.16 -0.04 0.25 0.00 -1.03 0.00 0.00 54.13 53.47 3mma s LEU 167 Cb 0.18 -2.48 0.64 0.00 0.03 0.00 0.00 46.19 44.55 3mma s LEU 167 CO 0.66 0.13 1.60 -0.81 0.23 0.00 0.00 176.35 178.16 3mma n PRO 168 N 0.11 0.27 -4.02 1.29 -0.04 -1.26 -0.72 135.00 130.62 3mma n PRO 168 Ca -0.08 0.16 -0.13 0.00 -0.04 0.00 0.00 63.50 63.40 3mma n PRO 168 Cb 0.53 -1.75 -0.03 0.00 -0.04 0.00 0.00 33.50 32.21 3mma n PRO 168 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mma s ALA 169 N -3.12 0.41 0.12 0.55 0.00 -1.26 -0.25 121.76 118.21 3mma s ALA 169 Ca 0.09 -1.33 -0.31 0.00 0.00 0.00 0.00 51.96 50.41 3mma s ALA 169 Cb 0.13 1.04 -0.08 0.00 0.00 0.00 0.00 23.12 24.22 3mma s ALA 169 CO 0.64 -0.84 1.33 1.41 0.00 0.00 0.00 175.76 178.31 3mma s MET 170 N -2.89 4.36 -0.17 0.00 -2.45 -1.26 -4.70 119.30 112.19 3mma s MET 170 Ca 0.27 2.00 -0.00 0.00 -1.25 0.00 0.00 55.69 56.70 3mma s MET 170 Cb -0.02 -3.26 0.04 0.00 1.25 0.00 0.00 34.83 32.85 3mma s MET 170 CO 0.18 -0.36 -0.06 0.00 1.05 0.00 0.00 175.02 175.83 3mma s ARG 172 N 1.60 4.12 -0.14 0.00 1.81 -1.26 -4.37 118.95 120.71 3mma s ARG 172 Ca 0.00 -0.25 0.00 0.00 -1.72 0.00 0.00 55.73 53.76 3mma s ARG 172 Cb -0.15 -3.46 -0.01 0.00 -0.45 0.00 0.00 34.95 30.87 3mma s ARG 172 CO -0.08 0.19 -0.14 0.42 -0.68 0.00 0.00 175.30 175.01 3mma s ILE 173 N 0.68 2.89 0.01 1.52 1.01 -1.26 -0.59 121.20 125.48 3mma s ILE 173 Ca 0.07 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 60.02 3mma s ILE 173 Cb -0.12 -2.21 -0.01 0.00 0.01 0.00 0.00 42.46 40.12 3mma s ILE 173 CO 0.01 0.52 -0.04 -0.44 0.00 0.00 0.00 174.94 174.99 3mma s SER 174 N 0.50 0.44 -0.07 3.58 0.01 -0.48 -3.41 113.70 114.27 3mma s SER 174 Ca -0.10 -0.27 0.03 0.00 1.31 0.00 0.00 55.95 56.93 3mma s SER 174 Cb -0.16 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.09 3mma s SER 174 CO 0.04 -0.09 -0.17 -0.22 0.41 0.00 0.00 173.24 173.21 3mma s LEU 175 N -0.73 1.85 -0.12 2.44 0.20 0.84 -0.41 118.68 122.74 3mma s LEU 175 Ca -0.05 -0.38 0.02 0.00 0.69 0.00 0.00 54.13 54.41 3mma s LEU 175 Cb -0.05 -1.02 0.01 0.00 -0.43 0.00 0.00 46.19 44.70 3mma s LEU 175 CO -0.00 0.11 -0.17 0.00 -0.29 0.00 0.00 176.35 175.99 3mma s ALA 176 N 0.36 1.88 -1.33 5.97 0.00 0.16 -4.04 121.76 124.75 3mma s ALA 176 Ca -0.12 -0.86 0.28 0.00 0.00 0.00 0.00 51.96 51.27 3mma s ALA 176 Cb -0.15 -0.90 1.39 0.00 0.00 0.00 0.00 23.12 23.46 3mma s ALA 176 CO 0.04 -0.08 1.97 0.00 0.00 0.00 0.00 175.76 177.69 3mma h ALA 179 N 1.92 1.00 -0.28 0.00 0.00 -1.82 -2.04 119.26 118.04 3mma h ALA 179 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3mma h ALA 179 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3mma h ALA 179 CO 0.24 0.00 0.00 0.27 0.00 0.00 0.00 179.25 179.76 3mma n ASN 180 N -2.40 1.83 -3.97 0.00 0.23 -1.26 -4.89 115.26 104.80 3mma n ASN 180 Ca 0.04 -2.08 -0.27 0.00 -0.53 0.00 0.00 54.58 51.74 3mma n ASN 180 Cb 0.35 -0.27 -0.08 0.00 -2.08 0.00 0.00 39.78 37.70 3mma n ASN 180 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 3mma n MET 181 N 0.33 -0.92 -1.46 -3.83 2.81 -0.77 -4.78 117.12 108.50 3mma n MET 181 Ca 0.10 0.08 -0.54 0.00 -1.81 0.00 0.00 57.70 55.53 3mma n MET 181 Cb 0.32 -3.03 -0.06 0.00 -0.71 0.00 0.00 33.22 29.75 3mma n MET 181 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3mma n GLY 183 N 1.73 0.28 2.30 0.00 0.00 -1.26 -4.67 105.19 103.57 3mma n GLY 183 Ca 0.19 -2.00 -0.32 0.00 0.00 0.00 0.00 46.02 43.89 3mma n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mma n ALA 184 N 0.79 6.16 0.00 4.61 0.00 -1.26 -4.54 120.51 126.27 3mma n ALA 184 Ca 0.00 -3.32 0.01 0.00 0.00 0.00 0.00 53.44 50.13 3mma n ALA 184 Cb 0.00 -1.70 0.32 0.00 0.00 0.00 0.00 19.45 18.08 3mma n ALA 184 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3mma h VAL 185 N 1.00 1.18 0.00 0.00 2.07 -1.83 -2.56 116.25 116.11 3mma h VAL 185 Ca 0.61 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3mma h VAL 185 Cb 1.30 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 3mma h VAL 185 CO 1.47 0.24 0.00 0.00 0.02 0.00 0.00 177.57 179.30 3mma n HIS 186 N -4.31 0.00 -3.24 1.57 1.44 -1.26 -3.49 115.22 105.93 3mma n HIS 186 Ca 0.02 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.48 3mma n HIS 186 Cb 0.21 -0.21 -0.07 0.00 0.12 0.00 0.00 29.99 30.04 3mma n HIS 186 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3mma n ALA 187 N -1.21 2.67 -2.96 1.59 0.00 -0.96 -0.24 120.51 119.40 3mma n ALA 187 Ca 0.08 -3.56 -0.10 0.00 0.00 0.00 0.00 53.44 49.86 3mma n ALA 187 Cb 0.10 -0.82 -0.12 0.00 0.00 0.00 0.00 19.45 18.61 3mma n ALA 187 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3mma s SER 188 N -1.26 0.18 0.21 0.00 0.15 -1.23 -4.05 113.70 107.70 3mma s SER 188 Ca 0.35 -0.38 -0.09 0.00 0.70 0.00 0.00 55.95 56.53 3mma s SER 188 Cb 0.16 0.08 0.16 0.00 -1.71 0.00 0.00 66.02 64.70 3mma s SER 188 CO -0.10 -0.23 1.83 0.44 1.20 0.00 0.00 173.24 176.37 3mma h ASP 189 N 4.99 0.96 -3.30 5.45 5.19 -1.28 0.14 116.42 128.57 3mma h ASP 189 Ca -0.30 -0.09 -0.45 0.00 -0.62 0.00 0.00 57.03 55.56 3mma h ASP 189 Cb 1.21 -0.24 -0.36 0.00 0.18 0.00 0.00 39.33 40.11 3mma h ASP 189 CO 0.43 0.78 -0.78 -0.63 -3.12 0.00 0.00 179.24 175.92 3mma s ILE 190 N -5.86 0.59 -0.05 0.35 1.01 0.25 -1.10 121.20 116.38 3mma s ILE 190 Ca -0.13 -0.05 0.06 0.00 0.00 0.00 0.00 60.65 60.53 3mma s ILE 190 Cb 0.15 -0.67 -0.01 0.00 0.01 0.00 0.00 42.46 41.94 3mma s ILE 190 CO 0.80 0.28 -0.25 0.00 0.00 0.00 0.00 174.94 175.77 3mma s ALA 191 N 1.57 2.18 -0.23 9.38 0.00 0.91 -1.39 121.76 134.19 3mma s ALA 191 Ca -0.00 -1.06 -0.04 0.00 0.00 0.00 0.00 51.96 50.85 3mma s ALA 191 Cb -0.13 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 3mma s ALA 191 CO -0.04 0.45 -0.03 0.42 0.00 0.00 0.00 175.76 176.56 3mma s ILE 192 N -0.29 3.45 -0.16 0.00 1.01 0.45 -1.13 121.20 124.54 3mma s ILE 192 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.13 3mma s ILE 192 Cb -0.13 -2.60 0.03 0.00 0.01 0.00 0.00 42.46 39.77 3mma s ILE 192 CO 0.02 0.37 -0.10 -0.69 0.00 0.00 0.00 174.94 174.55 3mma s VAL 193 N 1.48 1.36 0.35 2.92 1.01 -0.63 0.35 120.40 127.25 3mma s VAL 193 Ca 0.05 -0.64 -0.28 0.00 0.00 0.00 0.00 61.98 61.11 3mma s VAL 193 Cb -0.15 -1.39 -0.10 0.00 0.00 0.00 0.00 36.38 34.74 3mma s VAL 193 CO -0.02 0.30 1.27 -0.83 0.00 0.00 0.00 175.10 175.81 3mma s GLY 194 N 1.55 2.97 0.05 4.51 0.00 0.06 -0.52 107.32 115.93 3mma s GLY 194 Ca 0.03 1.19 -0.02 0.00 0.00 0.00 0.00 44.72 45.92 3mma s GLY 194 CO -0.09 1.80 -0.01 -0.26 0.00 0.00 0.00 173.10 174.54 3mma s ILE 195 N -1.20 0.20 0.26 0.90 -4.36 0.84 -3.38 121.20 114.45 3mma s ILE 195 Ca 0.51 -1.61 0.06 0.00 -0.26 0.00 0.00 60.65 59.35 3mma s ILE 195 Cb -0.38 -1.30 -0.03 0.00 1.25 0.00 0.00 42.46 42.01 3mma s ILE 195 CO 0.49 -0.89 0.35 -1.00 0.24 0.00 0.00 174.94 174.13 3mma s HIS 196 N -3.50 3.31 0.00 1.37 3.76 -1.26 -1.94 115.29 117.03 3mma s HIS 196 Ca 0.03 -0.08 0.00 0.00 -0.15 0.00 0.00 55.06 54.86 3mma s HIS 196 Cb 0.05 -1.63 0.00 0.00 1.11 0.00 0.00 32.58 32.11 3mma s HIS 196 CO -0.09 0.36 0.72 0.54 -0.85 0.00 0.00 174.74 175.43 3mma n ARG 197 N -1.41 1.31 -4.93 1.40 1.74 -1.26 -4.76 116.66 108.75 3mma n ARG 197 Ca -0.07 -0.94 -0.27 0.00 -0.77 0.00 0.00 57.85 55.81 3mma n ARG 197 Cb 0.57 -0.72 -0.16 0.00 -1.02 0.00 0.00 32.46 31.14 3mma n ARG 197 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3mma s THR 198 N -0.44 1.54 0.69 0.55 -4.23 -1.26 -4.98 115.64 107.51 3mma s THR 198 Ca 0.00 -0.81 -0.11 0.00 -1.18 0.00 0.00 61.69 59.59 3mma s THR 198 Cb 0.00 -1.29 0.01 0.00 1.34 0.00 0.00 72.50 72.55 3mma s THR 198 CO 0.00 0.44 1.07 -2.16 -0.54 0.00 0.00 174.62 173.42 3mma s PRO 199 N -0.26 2.97 0.63 3.99 0.04 -1.26 -4.72 135.00 136.40 3mma s PRO 199 Ca 0.03 0.73 -0.14 0.00 0.04 0.00 0.00 61.00 61.65 3mma s PRO 199 Cb -0.09 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 3mma s PRO 199 CO 0.01 -1.02 1.06 -1.25 0.04 0.00 0.00 177.00 175.84 3mma s PRO 200 N -5.18 3.13 -0.33 0.56 0.04 -1.26 -4.74 135.00 127.22 3mma s PRO 200 Ca 0.58 1.15 -0.04 0.00 0.04 0.00 0.00 61.00 62.72 3mma s PRO 200 Cb -0.12 -2.01 0.05 0.00 0.04 0.00 0.00 34.50 32.46 3mma s PRO 200 CO 0.54 -0.96 0.07 0.42 0.04 0.00 0.00 177.00 177.11 3mma s ILE 201 N -2.62 3.45 0.05 0.56 1.01 -1.04 -4.98 121.20 117.62 3mma s ILE 201 Ca 0.62 -1.30 -0.34 0.00 0.00 0.00 0.00 60.65 59.63 3mma s ILE 201 Cb -0.16 -3.00 -0.13 0.00 0.01 0.00 0.00 42.46 39.19 3mma s ILE 201 CO 0.43 -0.20 1.71 -2.65 0.00 0.00 0.00 174.94 174.23 3mma n PRO 202 N 4.72 2.16 -3.19 2.79 -0.02 -1.26 -4.43 135.00 135.76 3mma n PRO 202 Ca -0.12 0.78 -0.45 0.00 -2.02 0.00 0.00 63.50 61.69 3mma n PRO 202 Cb 0.44 -2.58 -0.05 0.00 -0.02 0.00 0.00 33.50 31.29 3mma n PRO 202 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3mma s ASN 203 N 2.27 6.20 0.19 2.55 3.84 0.08 -4.98 114.94 125.10 3mma s ASN 203 Ca 0.85 -1.61 -0.12 0.00 0.21 0.00 0.00 52.86 52.19 3mma s ASN 203 Cb -0.69 -2.26 0.15 0.00 -0.55 0.00 0.00 41.25 37.90 3mma s ASN 203 CO 0.44 -1.00 1.84 0.44 -2.79 0.00 0.00 177.10 176.03 3mma h ASP 204 N 9.04 0.65 -0.24 -4.21 3.32 -1.92 -0.54 116.42 122.51 3mma h ASP 204 Ca -0.29 -0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.79 3mma h ASP 204 Cb 1.09 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.47 3mma h ASP 204 CO 1.07 0.46 0.06 -0.08 -1.72 0.00 0.00 179.24 179.03 3mma h GLU 205 N 0.78 0.16 -0.50 3.56 4.81 -1.96 -0.78 114.58 120.67 3mma h GLU 205 Ca 0.25 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.41 3mma h GLU 205 Cb -0.00 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3mma h GLU 205 CO -0.09 0.11 0.08 0.00 -0.73 0.00 0.00 179.01 178.38 3mma h ALA 206 N 1.17 0.66 0.20 2.92 0.00 -1.75 -1.95 119.26 120.49 3mma h ALA 206 Ca 0.11 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.79 3mma h ALA 206 Cb 0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3mma h ALA 206 CO -0.13 0.39 -0.25 0.82 0.00 0.00 0.00 179.25 180.08 3mma h ILE 207 N 0.69 0.47 -0.63 0.00 2.04 -1.00 -0.54 117.51 118.54 3mma h ILE 207 Ca 0.15 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.08 3mma h ILE 207 Cb 0.39 0.47 -0.06 0.00 -0.74 0.00 0.00 36.82 36.87 3mma h ILE 207 CO 0.01 0.00 0.31 0.03 0.00 0.00 0.00 178.15 178.50 3mma h ARG 208 N -0.49 0.54 -0.20 2.37 3.08 -1.02 0.31 114.38 118.97 3mma h ARG 208 Ca 0.01 -0.03 -0.19 0.00 0.07 0.00 0.00 59.98 59.84 3mma h ARG 208 Cb 0.48 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3mma h ARG 208 CO -0.09 0.36 -0.63 0.87 -1.07 0.00 0.00 179.97 179.41 3mma h LYS 209 N 0.56 0.72 0.00 0.04 1.57 -1.27 -3.41 116.57 114.78 3mma h LYS 209 Ca 0.30 -0.50 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3mma h LYS 209 Cb 0.26 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3mma h LYS 209 CO -0.23 1.13 -0.03 0.25 -0.57 0.00 0.00 179.45 180.00 3mma n THR 210 N -3.95 0.00 -4.59 -0.16 -2.24 -0.22 -5.05 114.28 98.07 3mma n THR 210 Ca -0.05 -0.30 -0.33 0.00 -2.27 0.00 0.00 64.05 61.10 3mma n THR 210 Cb 0.66 0.96 -0.13 0.00 -2.10 0.00 0.00 70.33 69.73 3mma n THR 210 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mma s GLU 212 N 0.21 3.80 0.05 0.00 -6.30 -1.26 -4.77 118.70 110.43 3mma s GLU 212 Ca -0.05 0.63 -0.31 0.00 -2.50 0.00 0.00 54.97 52.75 3mma s GLU 212 Cb -0.14 -3.85 -0.18 0.00 0.00 0.00 0.00 34.13 29.96 3mma s GLU 212 CO 0.04 -1.16 1.48 0.82 0.02 0.00 0.00 175.26 176.46 3mma h ILE 213 N 6.01 0.36 -0.99 -3.70 2.04 -1.97 -2.48 117.51 116.78 3mma h ILE 213 Ca -0.23 -0.15 0.14 0.00 1.00 0.00 0.00 64.86 65.62 3mma h ILE 213 Cb 1.07 0.41 -0.09 0.00 -0.74 0.00 0.00 36.82 37.47 3mma h ILE 213 CO 1.06 0.02 0.61 -0.65 0.00 0.00 0.00 178.15 179.19 3mma h PRO 214 N -0.93 0.89 0.00 2.37 0.11 -1.99 0.11 132.00 132.56 3mma h PRO 214 Ca -0.08 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.84 3mma h PRO 214 Cb 0.66 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.56 3mma h PRO 214 CO 0.14 0.59 -0.62 0.66 -0.21 0.00 0.00 178.00 178.55 3mma h SER 215 N 0.91 0.00 -0.03 -2.05 4.64 -1.98 -1.17 113.55 113.87 3mma h SER 215 Ca 0.51 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.83 3mma h SER 215 Cb 0.59 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3mma h SER 215 CO -0.30 0.62 0.00 0.74 -0.87 0.00 0.00 176.83 177.03 3mma h THR 216 N 0.00 1.21 -0.29 2.95 2.02 -0.72 -2.36 112.91 115.72 3mma h THR 216 Ca -0.01 -0.64 0.07 0.00 0.77 0.00 0.00 66.41 66.60 3mma h THR 216 Cb 1.34 1.58 -0.07 0.00 -1.74 0.00 0.00 68.15 69.26 3mma h THR 216 CO 0.08 0.17 -0.16 0.58 0.37 0.00 0.00 175.52 176.56 3mma h VAL 217 N -0.20 0.53 0.00 3.16 2.07 -0.78 -2.67 116.25 118.35 3mma h VAL 217 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 3mma h VAL 217 Cb 0.27 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3mma h VAL 217 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 3mma n ALA 218 N -2.71 1.78 0.76 1.67 0.00 -0.45 -2.12 120.51 119.44 3mma n ALA 218 Ca 0.00 0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.59 3mma n ALA 218 Cb 0.24 -1.39 0.45 0.00 0.00 0.00 0.00 19.45 18.75 3mma n ALA 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mma n ALA 219 N -1.74 1.96 -2.59 0.00 0.00 -0.89 -4.76 120.51 112.49 3mma n ALA 219 Ca 0.03 -0.08 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 3mma n ALA 219 Cb 0.26 -1.33 -0.04 0.00 0.00 0.00 0.00 19.45 18.33 3mma n ALA 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mma h PRO 221 N 8.57 0.00 -0.03 0.00 0.11 -1.90 -2.62 132.00 136.14 3mma h PRO 221 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3mma h PRO 221 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3mma h PRO 221 CO 0.95 0.16 -0.04 0.25 -0.21 0.00 0.00 178.00 179.11 3mma n THR 222 N -3.93 0.00 -2.25 -1.15 -2.24 -1.26 -4.75 114.28 98.70 3mma n THR 222 Ca -0.02 -0.45 -0.15 0.00 -2.27 0.00 0.00 64.05 61.16 3mma n THR 222 Cb 0.25 1.36 -0.01 0.00 -2.10 0.00 0.00 70.33 69.83 3mma n THR 222 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mma n GLY 223 N 1.34 -0.17 0.00 3.38 0.00 -0.99 -4.91 105.19 103.84 3mma n GLY 223 Ca 0.14 -0.25 0.14 0.00 0.00 0.00 0.00 46.02 46.04 3mma n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mma n ALA 224 N -1.59 2.31 -2.82 4.61 0.00 -1.26 -4.76 120.51 117.00 3mma n ALA 224 Ca -0.18 -0.10 -0.35 0.00 0.00 0.00 0.00 53.44 52.81 3mma n ALA 224 Cb 0.63 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.53 3mma n ALA 224 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3mma s LEU 225 N -2.94 3.74 0.03 0.00 1.43 -1.26 -0.23 118.68 119.46 3mma s LEU 225 Ca 0.16 0.10 0.07 0.00 -1.03 0.00 0.00 54.13 53.42 3mma s LEU 225 Cb 0.19 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.46 3mma s LEU 225 CO 0.50 0.23 -0.19 -0.54 0.23 0.00 0.00 176.35 176.59 3mma s LYS 226 N 0.01 1.32 0.42 1.70 1.02 -0.24 -4.91 119.74 119.06 3mma s LYS 226 Ca 0.05 -0.85 -0.25 0.00 0.02 0.00 0.00 55.97 54.94 3mma s LYS 226 Cb -0.12 -1.39 -0.08 0.00 -0.52 0.00 0.00 37.83 35.72 3mma s LYS 226 CO 0.01 0.36 1.22 -1.25 -0.92 0.00 0.00 175.35 174.77 3mma s PRO 227 N -1.03 3.90 -0.63 -1.68 0.04 -1.26 -0.48 135.00 133.85 3mma s PRO 227 Ca 0.06 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.04 3mma s PRO 227 Cb -0.08 -2.61 0.16 0.00 0.04 0.00 0.00 34.50 32.00 3mma s PRO 227 CO 0.01 -0.48 0.43 0.34 0.04 0.00 0.00 177.00 177.35 3mma s ASP 228 N -1.06 5.00 0.18 6.66 2.15 0.29 -4.75 116.67 125.14 3mma s ASP 228 Ca 0.59 -3.10 -0.24 0.00 0.43 0.00 0.00 52.55 50.23 3mma s ASP 228 Cb -0.33 -1.78 0.08 0.00 -0.30 0.00 0.00 42.92 40.59 3mma s ASP 228 CO 0.41 -0.28 1.57 0.24 -0.17 0.00 0.00 175.17 176.94 3mma h MET 229 N 6.59 -0.17 -0.59 4.34 2.86 -1.95 0.25 114.93 126.25 3mma h MET 229 Ca 0.00 0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.77 3mma h MET 229 Cb 0.90 0.04 -0.11 0.00 0.06 0.00 0.00 31.60 32.49 3mma h MET 229 CO 0.72 -0.12 -0.11 0.87 1.06 0.00 0.00 176.91 179.34 3mma h LYS 230 N -0.18 0.03 -0.49 1.72 1.79 -1.95 -0.57 116.57 116.91 3mma h LYS 230 Ca 0.21 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 3mma h LYS 230 Cb 0.56 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 3mma h LYS 230 CO -0.72 0.02 0.00 0.09 -1.08 0.00 0.00 179.45 177.75 3mma n ASN 231 N -5.37 3.86 -3.85 0.86 4.13 -1.04 -4.97 115.26 108.88 3mma n ASN 231 Ca 0.07 -2.33 -0.25 0.00 1.68 0.00 0.00 54.58 53.75 3mma n ASN 231 Cb 0.32 -0.44 0.01 0.00 -1.54 0.00 0.00 39.78 38.13 3mma n ASN 231 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3mma n LYS 232 N 0.70 -4.48 -0.81 3.52 5.02 0.79 -4.92 118.16 117.98 3mma n LYS 232 Ca 0.20 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 3mma n LYS 232 Cb 0.69 -5.06 0.00 0.00 -0.02 0.00 0.00 35.03 30.65 3mma n LYS 232 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 3mma n THR 233 N -4.40 0.00 -5.23 -0.18 5.66 -0.75 -4.38 114.28 105.00 3mma n THR 233 Ca -0.21 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.49 3mma n THR 233 Cb 0.64 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.26 3mma n THR 233 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 3mma s ILE 234 N -1.75 1.96 -0.09 1.09 1.01 -1.26 0.11 121.20 122.26 3mma s ILE 234 Ca 0.00 -1.04 -0.02 0.00 0.00 0.00 0.00 60.65 59.59 3mma s ILE 234 Cb 0.00 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.80 3mma s ILE 234 CO 0.00 0.55 -0.00 -0.54 0.00 0.00 0.00 174.94 174.95 3mma s LYS 235 N -0.42 3.00 -0.19 2.79 1.02 0.36 -4.86 119.74 121.45 3mma s LYS 235 Ca 0.05 -0.42 -0.05 0.00 0.02 0.00 0.00 55.97 55.57 3mma s LYS 235 Cb -0.11 -2.79 -0.03 0.00 -0.52 0.00 0.00 37.83 34.38 3mma s LYS 235 CO 0.01 0.68 -0.01 0.54 -0.92 0.00 0.00 175.35 175.65 3mma s VAL 236 N -0.83 3.95 -0.72 3.17 0.11 -1.26 -1.08 120.40 123.75 3mma s VAL 236 Ca 0.13 -0.32 -0.23 0.00 -2.93 0.00 0.00 61.98 58.63 3mma s VAL 236 Cb -0.11 -2.78 0.07 0.00 -1.53 0.00 0.00 36.38 32.03 3mma s VAL 236 CO 0.02 0.44 1.05 -0.62 -3.33 0.00 0.00 175.10 172.67 3mma s ASP 237 N 0.86 6.23 0.56 3.54 -1.08 0.69 -4.92 116.67 122.55 3mma s ASP 237 Ca 0.01 -1.04 0.27 0.00 -0.52 0.00 0.00 52.55 51.26 3mma s ASP 237 Cb -0.14 -2.45 1.47 0.00 -1.46 0.00 0.00 42.92 40.34 3mma s ASP 237 CO 0.02 -1.47 2.00 -0.37 0.52 0.00 0.00 175.17 175.87 3mma h VAL 238 N 6.01 0.59 0.00 1.11 -1.51 -1.95 -0.31 116.25 120.18 3mma h VAL 238 Ca -0.22 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.23 3mma h VAL 238 Cb 1.06 0.73 -0.00 0.00 -2.13 0.00 0.00 31.29 30.95 3mma h VAL 238 CO 1.20 0.00 -0.11 -0.33 -1.23 0.00 0.00 177.57 177.10 3mma h GLU 239 N 0.00 0.00 -0.01 5.19 5.08 -1.97 -2.87 114.58 119.99 3mma h GLU 239 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3mma h GLU 239 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3mma h GLU 239 CO -0.00 0.11 -0.45 1.63 -1.00 0.00 0.00 179.01 179.30 3mma n LYS 240 N -3.79 1.59 -2.79 2.33 5.02 -0.14 -4.95 118.16 115.43 3mma n LYS 240 Ca -0.02 -0.67 -0.42 0.00 -2.02 0.00 0.00 58.31 55.19 3mma n LYS 240 Cb 0.21 -1.31 -0.03 0.00 -0.02 0.00 0.00 35.03 33.89 3mma n LYS 240 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mma n MET 242 N 4.79 2.28 -2.13 0.00 0.00 -1.26 -4.95 117.12 115.84 3mma n MET 242 Ca 0.06 -3.06 -0.18 0.00 0.00 0.00 0.00 57.70 54.52 3mma n MET 242 Cb 0.49 -1.87 -0.03 0.00 0.00 0.00 0.00 33.22 31.81 3mma n MET 242 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 3mma n TYR 243 N -0.90 -0.64 0.25 3.17 4.01 -1.26 -4.88 117.16 116.91 3mma n TYR 243 Ca 0.32 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 58.15 3mma n TYR 243 Cb 1.06 -3.43 0.64 0.00 -0.31 0.00 0.00 39.34 37.30 3mma n TYR 243 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3mma n GLY 245 N -1.11 1.05 0.31 0.00 0.00 -1.26 -4.64 105.19 99.54 3mma n GLY 245 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.03 3mma n GLY 245 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3mma h ASN 246 N 0.00 0.50 0.50 1.61 -1.24 -1.90 -1.02 115.58 114.02 3mma h ASN 246 Ca 0.00 -0.02 -0.06 0.00 0.71 0.00 0.00 56.30 56.93 3mma h ASN 246 Cb 0.00 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 38.92 3mma h ASN 246 CO 0.00 0.38 -0.31 0.00 -1.29 0.00 0.00 177.43 176.21 3mma h TYR 248 N 0.00 0.23 -0.84 0.00 3.20 -1.36 -1.15 116.97 117.07 3mma h TYR 248 Ca -0.00 -0.16 0.15 0.00 3.14 0.00 0.00 58.73 61.86 3mma h TYR 248 Cb 0.64 -0.01 -0.10 0.00 1.54 0.00 0.00 36.73 38.80 3mma h TYR 248 CO 0.00 1.08 0.40 1.15 -1.64 0.00 0.00 178.16 179.16 3mma h THR 249 N 0.05 0.68 0.04 1.81 2.02 -0.94 -2.88 112.91 113.69 3mma h THR 249 Ca -0.06 -0.19 -0.23 0.00 0.77 0.00 0.00 66.41 66.70 3mma h THR 249 Cb 1.77 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 3mma h THR 249 CO 0.16 0.10 -1.07 0.24 0.37 0.00 0.00 175.52 175.31 3mma h MET 250 N 0.56 0.10 -2.49 6.66 2.86 -1.37 -3.46 114.93 117.79 3mma h MET 250 Ca 0.46 -0.16 -0.30 0.00 -2.06 0.00 0.00 59.70 57.64 3mma h MET 250 Cb 0.70 0.06 -0.35 0.00 0.06 0.00 0.00 31.60 32.06 3mma h MET 250 CO -0.39 1.07 -0.61 0.00 1.06 0.00 0.00 176.91 178.04 3mma h PRO 252 N 8.30 0.00 -0.60 0.00 0.13 -1.85 -1.97 132.00 136.01 3mma h PRO 252 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 3mma h PRO 252 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3mma h PRO 252 CO 0.27 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.45 3mma n GLY 253 N -1.28 1.24 2.53 1.56 0.00 -1.26 -4.25 105.19 103.73 3mma n GLY 253 Ca -0.01 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 3mma n GLY 253 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3mma n MET 254 N 0.23 2.36 -2.27 1.61 2.81 -0.74 -0.74 117.12 120.38 3mma n MET 254 Ca 0.09 -3.80 -0.34 0.00 -1.81 0.00 0.00 57.70 51.84 3mma n MET 254 Cb 0.42 -1.80 -0.00 0.00 -0.71 0.00 0.00 33.22 31.13 3mma n MET 254 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3mma s PRO 255 N -3.52 3.45 -0.01 0.03 0.04 -1.26 -4.08 135.00 129.65 3mma s PRO 255 Ca 0.37 1.42 0.01 0.00 0.04 0.00 0.00 61.00 62.84 3mma s PRO 255 Cb 0.40 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.91 3mma s PRO 255 CO -0.03 -0.73 0.76 1.47 0.04 0.00 0.00 177.00 178.51 3mma n LEU 256 N -1.44 0.20 -4.75 -3.56 -0.00 -1.26 -2.51 117.00 103.68 3mma n LEU 256 Ca 0.10 -0.65 -0.41 0.00 -0.00 0.00 0.00 56.01 55.05 3mma n LEU 256 Cb 0.52 -0.02 -0.02 0.00 -0.00 0.00 0.00 43.42 43.90 3mma n LEU 256 CO 0.43 0.16 1.03 -0.36 -0.00 0.00 0.00 177.39 178.65 3mma s PHE 257 N -0.17 3.09 -0.19 1.47 0.08 -1.26 -4.58 117.98 116.42 3mma s PHE 257 Ca 0.01 1.20 -0.05 0.00 0.12 0.00 0.00 56.93 58.21 3mma s PHE 257 Cb 0.01 -3.72 0.07 0.00 -0.57 0.00 0.00 43.02 38.81 3mma s PHE 257 CO 0.00 -2.21 0.11 0.34 -0.10 0.00 0.00 175.22 173.37 3mma s ASP 258 N 0.09 2.35 0.66 1.36 -1.08 -1.26 -5.03 116.67 113.75 3mma s ASP 258 Ca 0.55 -0.64 0.44 0.00 -0.52 0.00 0.00 52.55 52.38 3mma s ASP 258 Cb -0.40 -0.16 2.37 0.00 -1.46 0.00 0.00 42.92 43.27 3mma s ASP 258 CO 0.45 -0.36 2.33 -0.65 0.52 0.00 0.00 175.17 177.46 3mma h PRO 259 N 8.40 0.00 -0.00 4.34 0.11 -1.95 0.24 132.00 143.14 3mma h PRO 259 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3mma h PRO 259 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3mma h PRO 259 CO 0.31 0.00 -0.55 0.39 -0.21 0.00 0.00 178.00 177.94 3mma n GLU 260 N -3.05 0.04 0.00 1.05 -0.58 -1.26 -4.42 120.64 112.42 3mma n GLU 260 Ca -0.03 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 3mma n GLU 260 Cb 0.09 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 3mma n GLU 260 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3mma n ASN 261 N -1.46 0.72 -4.74 1.62 4.13 -0.55 -4.98 115.26 110.01 3mma n ASN 261 Ca 0.06 -0.24 -0.36 0.00 1.68 0.00 0.00 54.58 55.72 3mma n ASN 261 Cb 0.34 0.63 0.06 0.00 -1.54 0.00 0.00 39.78 39.27 3mma n ASN 261 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3mma s ASP 262 N -0.78 4.75 0.00 6.41 1.11 -0.04 -3.98 116.67 124.15 3mma s ASP 262 Ca 0.00 2.42 0.00 0.00 0.18 0.00 0.00 52.55 55.15 3mma s ASP 262 Cb 0.00 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.39 3mma s ASP 262 CO 0.00 -1.89 0.00 0.61 1.18 0.00 0.00 175.17 175.07 3mma n GLY 263 N 0.52 -1.09 3.27 0.21 0.00 -0.82 -3.72 105.19 103.57 3mma n GLY 263 Ca 0.14 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 45.00 3mma n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mma s ALA 264 N -1.00 2.09 0.38 4.61 0.00 -0.14 -0.11 121.76 127.58 3mma s ALA 264 Ca 0.00 -1.04 -0.09 0.00 0.00 0.00 0.00 51.96 50.83 3mma s ALA 264 Cb 0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 23.12 22.47 3mma s ALA 264 CO 0.00 0.45 0.71 0.00 0.00 0.00 0.00 175.76 176.93 3mma s ALA 265 N -0.36 3.42 -0.14 0.00 0.00 0.32 -0.88 121.76 124.12 3mma s ALA 265 Ca 0.03 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 51.70 3mma s ALA 265 Cb -0.12 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.41 3mma s ALA 265 CO 0.01 0.05 -0.20 0.42 0.00 0.00 0.00 175.76 176.05 3mma s ILE 266 N -2.30 2.32 0.16 0.00 1.01 -0.12 -1.60 121.20 120.66 3mma s ILE 266 Ca 0.49 -0.90 0.11 0.00 0.00 0.00 0.00 60.65 60.35 3mma s ILE 266 Cb -0.10 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 3mma s ILE 266 CO 0.31 0.54 -0.23 -0.04 0.00 0.00 0.00 174.94 175.52 3mma s MET 267 N 0.73 1.57 0.06 2.79 -1.94 -0.28 -0.62 119.30 121.61 3mma s MET 267 Ca -0.08 -1.38 -0.03 0.00 -1.71 0.00 0.00 55.69 52.48 3mma s MET 267 Cb -0.16 -1.94 -0.03 0.00 2.01 0.00 0.00 34.83 34.72 3mma s MET 267 CO 0.01 0.43 0.03 0.14 -0.01 0.00 0.00 175.02 175.62 3mma s VAL 268 N -1.38 0.19 0.00 -6.03 -7.23 -0.05 -0.06 120.40 105.85 3mma s VAL 268 Ca 0.18 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 58.77 3mma s VAL 268 Cb -0.09 -1.39 0.00 0.00 0.56 0.00 0.00 36.38 35.46 3mma s VAL 268 CO 0.09 -0.87 0.00 0.61 -0.31 0.00 0.00 175.10 174.62 3mma n GLY 269 N 0.17 0.77 3.81 2.32 0.00 -0.26 -1.23 105.19 110.78 3mma n GLY 269 Ca -0.15 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 3mma n GLY 269 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mma s GLY 270 N -2.40 2.48 -0.10 -0.02 0.00 0.49 -4.50 107.32 103.26 3mma s GLY 270 Ca 0.00 0.45 -0.05 0.00 0.00 0.00 0.00 44.72 45.12 3mma s GLY 270 CO 0.00 0.77 0.24 1.25 0.00 0.00 0.00 173.10 175.36 3mma s LYS 271 N -2.99 0.21 -0.24 2.90 2.20 -0.45 -2.99 119.74 118.38 3mma s LYS 271 Ca 0.61 0.51 -0.10 0.00 -0.36 0.00 0.00 55.97 56.63 3mma s LYS 271 Cb -0.12 -0.11 -0.17 0.00 -1.51 0.00 0.00 37.83 35.93 3mma s LYS 271 CO 0.16 -0.15 -0.10 1.28 -0.36 0.00 0.00 175.35 176.17 3mma n LEU 272 N 4.15 2.35 -4.72 5.43 4.77 -1.26 -1.11 117.00 126.60 3mma n LEU 272 Ca -0.25 0.19 -0.31 0.00 -0.03 0.00 0.00 56.01 55.62 3mma n LEU 272 Cb 0.53 -0.92 0.12 0.00 -2.33 0.00 0.00 43.42 40.83 3mma n LEU 272 CO 0.15 0.67 0.70 -0.94 -1.33 0.00 0.00 177.39 176.64 3mma s SER 273 N -7.03 3.76 0.26 -1.43 1.04 -1.26 -4.63 113.70 104.42 3mma s SER 273 Ca -0.33 2.04 0.25 0.00 0.48 0.00 0.00 55.95 58.38 3mma s SER 273 Cb 0.10 -2.55 0.54 0.00 0.10 0.00 0.00 66.02 64.22 3mma s SER 273 CO 0.59 -2.54 1.60 -0.33 0.98 0.00 0.00 173.24 173.54 3mma h GLU 274 N -1.38 0.00 -6.36 4.02 4.39 -1.94 -3.35 114.58 109.95 3mma h GLU 274 Ca -0.44 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 58.68 3mma h GLU 274 Cb 1.25 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.93 3mma h GLU 274 CO 0.47 0.00 1.07 0.00 -1.16 0.00 0.00 179.01 179.39 3mma n ALA 275 N -1.91 1.27 0.00 3.43 0.00 -1.26 -2.85 120.51 119.19 3mma n ALA 275 Ca 0.04 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.79 3mma n ALA 275 Cb 0.47 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.40 3mma n ALA 275 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3mma n ARG 276 N 6.07 0.00 -3.51 0.00 1.74 -1.26 -4.82 116.66 114.89 3mma n ARG 276 Ca 0.21 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.17 3mma n ARG 276 Cb 0.32 -0.26 -0.03 0.00 -1.02 0.00 0.00 32.46 31.47 3mma n ARG 276 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3mma s ARG 277 N 0.00 1.18 0.78 5.56 1.70 -1.13 -5.17 118.95 121.87 3mma s ARG 277 Ca 0.00 -0.51 -0.14 0.00 -0.47 0.00 0.00 55.73 54.61 3mma s ARG 277 Cb 0.00 0.54 0.06 0.00 -0.57 0.00 0.00 34.95 34.98 3mma s ARG 277 CO 0.00 -0.49 1.19 -1.33 -1.08 0.00 0.00 175.30 173.59 3mma n MET 278 N -0.23 0.36 -1.26 3.89 2.81 -1.26 -4.50 117.12 116.93 3mma n MET 278 Ca -0.17 0.19 -0.33 0.00 -1.81 0.00 0.00 57.70 55.59 3mma n MET 278 Cb 0.64 -2.43 0.11 0.00 -0.71 0.00 0.00 33.22 30.83 3mma n MET 278 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 3mma s PRO 279 N -3.92 1.94 -0.07 0.03 0.02 -1.26 -4.87 135.00 126.87 3mma s PRO 279 Ca 0.75 1.58 -0.16 0.00 0.02 0.00 0.00 61.00 63.19 3mma s PRO 279 Cb -0.31 -1.83 0.03 0.00 0.02 0.00 0.00 34.50 32.41 3mma s PRO 279 CO 0.49 -1.95 0.38 -2.00 -0.33 0.00 0.00 177.00 173.59 3mma s GLU 280 N -4.26 0.61 0.31 5.54 2.56 -0.27 -4.90 118.70 118.30 3mma s GLU 280 Ca 0.70 0.16 -0.25 0.00 0.00 0.00 0.00 54.97 55.58 3mma s GLU 280 Cb -0.25 0.28 -0.10 0.00 2.00 0.00 0.00 34.13 36.07 3mma s GLU 280 CO 0.50 -0.14 0.92 -0.51 -0.56 0.00 0.00 175.26 175.46 3mma s LEU 281 N -0.66 4.32 0.70 2.70 1.43 -1.26 -1.33 118.68 124.58 3mma s LEU 281 Ca -0.08 1.77 -0.14 0.00 -1.03 0.00 0.00 54.13 54.66 3mma s LEU 281 Cb -0.04 -3.98 0.02 0.00 0.03 0.00 0.00 46.19 42.23 3mma s LEU 281 CO 0.03 -0.07 1.12 -0.44 0.23 0.00 0.00 176.35 177.23 3mma s SER 282 N -1.65 4.74 -0.02 2.29 0.01 0.67 -4.35 113.70 115.39 3mma s SER 282 Ca 0.50 2.03 0.04 0.00 1.31 0.00 0.00 55.95 59.83 3mma s SER 282 Cb -0.18 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.49 3mma s SER 282 CO 0.23 -1.88 -0.15 -0.54 0.41 0.00 0.00 173.24 171.31 3mma s LYS 283 N -4.26 1.40 0.13 12.44 1.02 -0.37 -4.84 119.74 125.27 3mma s LYS 283 Ca 0.67 -0.54 -0.31 0.00 0.02 0.00 0.00 55.97 55.81 3mma s LYS 283 Cb -0.21 -1.29 -0.08 0.00 -0.52 0.00 0.00 37.83 35.73 3mma s LYS 283 CO 0.46 0.27 1.38 0.08 -0.92 0.00 0.00 175.35 176.62 3mma s VAL 284 N -0.14 3.25 0.00 3.17 1.01 -1.26 -0.87 120.40 125.56 3mma s VAL 284 Ca 0.01 0.92 0.00 0.00 0.00 0.00 0.00 61.98 62.91 3mma s VAL 284 Cb -0.08 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.71 3mma s VAL 284 CO 0.01 0.08 0.00 1.33 0.00 0.00 0.00 175.10 176.52 3mma n VAL 285 N 3.69 0.00 -3.88 2.92 0.24 0.21 -4.91 118.33 116.59 3mma n VAL 285 Ca 0.11 -0.15 -0.29 0.00 -2.04 0.00 0.00 64.34 61.97 3mma n VAL 285 Cb 0.42 0.63 -0.16 0.00 -1.47 0.00 0.00 33.84 33.26 3mma n VAL 285 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3mma s VAL 286 N -1.40 1.14 0.27 3.34 1.01 -0.82 -4.74 120.40 119.20 3mma s VAL 286 Ca 0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 3mma s VAL 286 Cb 0.00 -1.38 0.26 0.00 0.00 0.00 0.00 36.38 35.26 3mma s VAL 286 CO 0.00 0.03 1.95 -0.65 0.00 0.00 0.00 175.10 176.43 3mma h PRO 287 N 8.09 1.22 -1.82 2.72 0.11 -1.89 -0.30 132.00 140.14 3mma h PRO 287 Ca -0.22 -0.07 0.04 0.00 0.11 0.00 0.00 66.00 65.85 3mma h PRO 287 Cb 1.10 -0.27 -0.23 0.00 0.11 0.00 0.00 31.00 31.71 3mma h PRO 287 CO 0.40 0.81 0.21 -0.46 -0.21 0.00 0.00 178.00 178.74 3mma s TRP 288 N -6.02 -0.79 0.04 0.65 -0.00 -1.25 -3.86 118.94 107.70 3mma s TRP 288 Ca -0.12 1.68 0.03 0.00 -0.00 0.00 0.00 56.10 57.69 3mma s TRP 288 Cb 0.18 0.44 -0.02 0.00 -0.00 0.00 0.00 33.47 34.07 3mma s TRP 288 CO 0.81 -0.39 -0.10 0.14 -0.00 0.00 0.00 176.95 177.41 3mma s VAL 289 N 1.06 0.73 0.63 5.86 -7.23 -0.06 -4.94 120.40 116.45 3mma s VAL 289 Ca -0.05 -0.95 -0.11 0.00 -1.81 0.00 0.00 61.98 59.06 3mma s VAL 289 Cb -0.05 -0.72 -0.03 0.00 0.56 0.00 0.00 36.38 36.14 3mma s VAL 289 CO -0.12 -0.18 1.03 -2.16 -0.31 0.00 0.00 175.10 173.36 3mma s PRO 290 N -1.25 3.50 -0.07 4.82 0.04 -1.26 -0.97 135.00 139.81 3mma s PRO 290 Ca -0.04 0.79 -0.30 0.00 0.04 0.00 0.00 61.00 61.49 3mma s PRO 290 Cb -0.08 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 3mma s PRO 290 CO 0.01 -0.65 1.44 -0.80 0.04 0.00 0.00 177.00 177.04 3mma s ASN 291 N -4.08 6.82 -0.50 6.66 0.01 -1.24 -4.78 114.94 117.83 3mma s ASN 291 Ca 0.56 2.01 0.07 0.00 -0.71 0.00 0.00 52.86 54.79 3mma s ASN 291 Cb -0.11 -2.54 0.24 0.00 0.41 0.00 0.00 41.25 39.24 3mma s ASN 291 CO 0.53 -0.80 0.59 -0.62 -1.51 0.00 0.00 177.10 175.29 3mma n GLU 292 N 6.39 1.39 -1.49 -0.60 1.02 -1.26 -5.06 120.64 121.03 3mma n GLU 292 Ca 0.15 -3.81 -0.34 0.00 -0.02 0.00 0.00 57.16 53.13 3mma n GLU 292 Cb 0.44 -1.69 0.09 0.00 -0.02 0.00 0.00 31.44 30.26 3mma n GLU 292 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3mma s PRO 293 N -1.56 2.25 0.02 3.49 0.04 -1.26 0.25 135.00 138.24 3mma s PRO 293 Ca 0.36 1.68 0.26 0.00 0.04 0.00 0.00 61.00 63.34 3mma s PRO 293 Cb 0.14 -1.85 0.70 0.00 0.04 0.00 0.00 34.50 33.53 3mma s PRO 293 CO -0.09 -1.73 1.56 -0.35 0.04 0.00 0.00 177.00 176.43 3mma n PRO 294 N -2.68 0.05 0.00 0.56 -0.04 -1.26 -4.78 135.00 126.85 3mma n PRO 294 Ca 0.13 0.02 0.06 0.00 -0.04 0.00 0.00 63.50 63.67 3mma n PRO 294 Cb 0.51 -1.54 -0.06 0.00 -0.04 0.00 0.00 33.50 32.37 3mma n PRO 294 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3mma n ARG 295 N -1.62 2.41 -4.16 0.54 5.12 -1.18 -4.85 116.66 112.94 3mma n ARG 295 Ca 0.06 -0.18 -0.37 0.00 -1.93 0.00 0.00 57.85 55.43 3mma n ARG 295 Cb 0.35 -1.15 -0.04 0.00 -1.16 0.00 0.00 32.46 30.47 3mma n ARG 295 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 3mma n TRP 296 N -1.04 -1.38 -0.30 -1.55 8.01 0.14 -4.75 117.44 116.56 3mma n TRP 296 Ca 0.03 0.40 -0.02 0.00 -1.31 0.00 0.00 57.50 56.60 3mma n TRP 296 Cb 0.23 -2.92 0.15 0.00 -2.01 0.00 0.00 31.31 26.76 3mma n TRP 296 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.69 175.33 3mma h PRO 297 N -2.14 1.18 -0.36 -0.99 0.10 -1.94 -0.83 132.00 127.02 3mma h PRO 297 Ca -0.68 -0.10 -0.03 0.00 0.10 0.00 0.00 66.00 65.29 3mma h PRO 297 Cb 1.40 -0.25 -0.01 0.00 0.10 0.00 0.00 31.00 32.23 3mma h PRO 297 CO 0.61 0.82 0.10 1.15 0.10 0.00 0.00 178.00 180.79 3mma h THR 298 N 1.20 1.21 0.14 -1.15 2.02 -1.92 0.22 112.91 114.65 3mma h THR 298 Ca 0.32 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 3mma h THR 298 Cb -0.07 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 3mma h THR 298 CO -0.06 0.24 -0.07 0.25 0.37 0.00 0.00 175.52 176.26 3mma h LEU 299 N 0.42 -0.16 -1.07 2.58 6.46 -1.77 -2.60 115.31 119.17 3mma h LEU 299 Ca 0.11 -0.05 0.01 0.00 -0.12 0.00 0.00 57.88 57.83 3mma h LEU 299 Cb 0.27 0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.20 3mma h LEU 299 CO -0.00 -0.05 0.59 0.58 -0.62 0.00 0.00 178.44 178.94 3mma h VAL 300 N -0.26 1.24 -0.82 1.05 2.07 -0.99 -1.60 116.25 116.94 3mma h VAL 300 Ca -0.02 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 3mma h VAL 300 Cb 0.20 -0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 29.84 3mma h VAL 300 CO 0.03 0.24 0.46 0.50 0.02 0.00 0.00 177.57 178.82 3mma h LYS 301 N 1.25 1.14 -0.28 1.57 3.64 -0.90 -1.46 116.57 121.54 3mma h LYS 301 Ca 0.33 -0.13 -0.15 0.00 -1.27 0.00 0.00 60.65 59.44 3mma h LYS 301 Cb -0.12 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.47 3mma h LYS 301 CO -0.07 0.83 -0.41 1.88 -2.27 0.00 0.00 179.45 179.41 3mma h TYR 302 N 1.14 0.94 -0.23 1.91 -1.99 -0.96 -0.01 116.97 117.77 3mma h TYR 302 Ca 0.29 -0.32 0.03 0.00 2.00 0.00 0.00 58.73 60.73 3mma h TYR 302 Cb 0.02 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 38.53 3mma h TYR 302 CO 0.00 1.10 0.06 0.28 -0.00 0.00 0.00 178.16 179.61 3mma h VAL 303 N 0.51 0.92 -0.65 -2.88 2.07 -1.16 -0.66 116.25 114.40 3mma h VAL 303 Ca 0.03 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 3mma h VAL 303 Cb 1.00 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 3mma h VAL 303 CO 0.09 0.03 0.18 0.50 0.02 0.00 0.00 177.57 178.39 3mma h LYS 304 N 0.16 1.03 -0.30 1.57 3.64 -1.28 -1.09 116.57 120.30 3mma h LYS 304 Ca 0.10 -0.24 0.02 0.00 -1.27 0.00 0.00 60.65 59.27 3mma h LYS 304 Cb 0.08 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 3mma h LYS 304 CO -0.12 0.91 0.15 0.37 -2.27 0.00 0.00 179.45 178.49 3mma h GLN 305 N 0.96 0.30 -0.27 1.90 4.15 -0.70 -0.93 115.11 120.52 3mma h GLN 305 Ca 0.21 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.58 3mma h GLN 305 Cb 0.33 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 3mma h GLN 305 CO -0.00 0.20 0.04 0.82 -1.93 0.00 0.00 178.83 177.95 3mma h ILE 306 N 0.31 1.23 0.12 2.39 2.04 -0.92 -2.36 117.51 120.33 3mma h ILE 306 Ca 0.12 -0.81 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 3mma h ILE 306 Cb 0.04 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 3mma h ILE 306 CO -0.08 0.26 -0.09 0.25 0.00 0.00 0.00 178.15 178.49 3mma h LEU 307 N 0.26 -0.23 -0.95 1.44 6.46 -1.13 -2.07 115.31 119.10 3mma h LEU 307 Ca 0.08 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.86 3mma h LEU 307 Cb 0.35 0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 40.30 3mma h LEU 307 CO 0.01 -0.14 0.59 -0.33 -0.62 0.00 0.00 178.44 177.95 3mma h GLU 308 N -0.21 1.28 -0.58 1.25 5.08 -1.16 0.70 114.58 120.93 3mma h GLU 308 Ca -0.01 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 3mma h GLU 308 Cb 0.19 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 3mma h GLU 308 CO -0.00 0.88 0.22 0.00 -1.00 0.00 0.00 179.01 179.10 3mma h ALA 309 N 1.33 0.76 -0.15 3.43 0.00 -1.23 -0.15 119.26 123.25 3mma h ALA 309 Ca 0.34 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3mma h ALA 309 Cb -0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3mma h ALA 309 CO -0.07 0.39 0.01 2.35 0.00 0.00 0.00 179.25 181.93 3mma h TRP 310 N 0.81 0.29 -0.86 0.00 7.01 -0.99 -2.97 115.95 119.24 3mma h TRP 310 Ca 0.19 -0.05 0.04 0.00 2.11 0.00 0.00 58.89 61.18 3mma h TRP 310 Cb 0.23 -0.08 -0.05 0.00 -2.10 0.00 0.00 29.16 27.17 3mma h TRP 310 CO 0.01 0.47 0.56 0.00 -2.79 0.00 0.00 178.44 176.70 3mma h ALA 311 N 0.77 1.47 0.00 2.65 0.00 -0.73 0.21 119.26 123.63 3mma h ALA 311 Ca 0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3mma h ALA 311 Cb 0.36 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3mma h ALA 311 CO 0.01 0.44 -0.23 0.00 0.00 0.00 0.00 179.25 179.47 3mma h ALA 312 N 1.50 1.09 0.00 0.00 0.00 -0.89 -3.32 119.26 117.65 3mma h ALA 312 Ca 0.34 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3mma h ALA 312 Cb 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3mma h ALA 312 CO -0.10 0.29 -0.84 0.09 0.00 0.00 0.00 179.25 178.69 3mma n ASN 313 N -3.50 3.06 -4.71 0.00 4.13 -0.90 -5.04 115.26 108.30 3mma n ASN 313 Ca -0.00 -0.17 -0.42 0.00 1.68 0.00 0.00 54.58 55.66 3mma n ASN 313 Cb 0.40 1.10 -0.03 0.00 -1.54 0.00 0.00 39.78 39.70 3mma n ASN 313 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3mma s ALA 314 N -1.93 3.61 0.95 5.41 0.00 0.68 -5.04 121.76 125.44 3mma s ALA 314 Ca -0.00 1.10 -0.12 0.00 0.00 0.00 0.00 51.96 52.94 3mma s ALA 314 Cb 0.02 -3.56 0.16 0.00 0.00 0.00 0.00 23.12 19.74 3mma s ALA 314 CO 0.12 -0.70 1.09 -0.80 0.00 0.00 0.00 175.76 175.47 3mma s ASN 315 N 1.31 2.92 0.20 0.00 0.01 -1.26 -4.87 114.94 113.25 3mma s ASN 315 Ca 0.65 1.53 -0.32 0.00 -0.71 0.00 0.00 52.86 54.01 3mma s ASN 315 Cb -0.37 -2.19 -0.11 0.00 0.41 0.00 0.00 41.25 38.99 3mma s ASN 315 CO 0.30 -2.99 1.66 -0.75 -1.51 0.00 0.00 177.10 173.81 3mma s LYS 316 N -4.83 4.16 0.00 -0.60 2.20 -1.26 -2.18 119.74 117.22 3mma s LYS 316 Ca 0.65 2.52 0.00 0.00 -0.36 0.00 0.00 55.97 58.78 3mma s LYS 316 Cb -0.20 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 3mma s LYS 316 CO 0.58 -0.69 0.00 0.72 -0.36 0.00 0.00 175.35 175.60 3mma n HIS 317 N 3.84 0.00 -2.14 4.03 8.25 0.66 -4.98 115.22 124.88 3mma n HIS 317 Ca 0.15 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.27 3mma n HIS 317 Cb 0.36 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.43 3mma n HIS 317 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 3mma s GLU 318 N -0.13 2.74 1.04 -0.41 2.12 -0.93 -4.60 118.70 118.54 3mma s GLU 318 Ca 0.00 -0.09 -0.13 0.00 0.36 0.00 0.00 54.97 55.11 3mma s GLU 318 Cb 0.00 -4.81 0.21 0.00 0.26 0.00 0.00 34.13 29.79 3mma s GLU 318 CO 0.00 -2.95 1.09 1.03 -0.54 0.00 0.00 175.26 173.89 3mma s ARG 319 N 6.70 0.08 0.27 4.30 0.52 -1.26 -4.46 118.95 125.09 3mma s ARG 319 Ca 0.64 0.49 -0.00 0.00 -0.52 0.00 0.00 55.73 56.34 3mma s ARG 319 Cb -0.08 -1.70 0.57 0.00 0.52 0.00 0.00 34.95 34.27 3mma s ARG 319 CO 0.06 -2.96 1.74 1.25 0.02 0.00 0.00 175.30 175.41 3mma h LEU 320 N -2.06 0.46 -0.67 2.53 6.46 -1.93 0.33 115.31 120.43 3mma h LEU 320 Ca -0.56 0.11 -0.07 0.00 -0.12 0.00 0.00 57.88 57.24 3mma h LEU 320 Cb 1.33 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 41.30 3mma h LEU 320 CO 0.56 0.16 -0.34 -0.29 -0.62 0.00 0.00 178.44 177.91 3mma h ILE 321 N 0.55 0.71 0.13 4.05 6.09 -1.89 0.06 117.51 127.22 3mma h ILE 321 Ca 0.48 -1.56 -0.28 0.00 -1.37 0.00 0.00 64.86 62.14 3mma h ILE 321 Cb 0.75 2.02 0.01 0.00 0.47 0.00 0.00 36.82 40.07 3mma h ILE 321 CO -0.41 0.33 -1.24 -0.33 -3.07 0.00 0.00 178.15 173.44 3mma h GLU 322 N 0.00 0.30 -0.43 2.19 5.08 -0.82 0.35 114.58 121.25 3mma h GLU 322 Ca -0.00 -0.50 -0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3mma h GLU 322 Cb 1.00 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 3mma h GLU 322 CO 0.04 1.23 0.26 2.35 -1.00 0.00 0.00 179.01 181.89 3mma h TRP 323 N 0.09 0.57 -0.45 4.33 7.01 -0.28 -2.29 115.95 124.93 3mma h TRP 323 Ca -0.14 -0.00 -0.13 0.00 2.11 0.00 0.00 58.89 60.73 3mma h TRP 323 Cb 1.96 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 28.82 3mma h TRP 323 CO 0.07 0.40 -0.22 0.28 -2.79 0.00 0.00 178.44 176.18 3mma h VAL 324 N 0.57 1.27 -0.84 2.65 2.07 -0.94 -0.68 116.25 120.35 3mma h VAL 324 Ca 0.15 -1.39 0.21 0.00 0.82 0.00 0.00 66.70 66.50 3mma h VAL 324 Cb 0.00 1.19 -0.13 0.00 -1.52 0.00 0.00 31.29 30.83 3mma h VAL 324 CO -0.03 0.47 0.25 0.44 0.02 0.00 0.00 177.57 178.72 3mma h ASP 325 N 0.80 0.07 0.41 0.57 3.32 -0.76 0.41 116.42 121.23 3mma h ASP 325 Ca 0.10 0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.30 3mma h ASP 325 Cb 0.80 0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.57 3mma h ASP 325 CO 0.07 -0.09 -0.20 -0.09 -1.72 0.00 0.00 179.24 177.21 3mma h ARG 326 N 0.27 -0.53 0.00 3.56 2.43 -1.07 -3.38 114.38 115.65 3mma h ARG 326 Ca 0.51 0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.64 3mma h ARG 326 Cb 0.97 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 3mma h ARG 326 CO -0.59 -0.23 -0.98 -0.84 -1.51 0.00 0.00 179.97 175.82 3mma h ILE 327 N -1.00 0.31 0.00 1.20 3.07 -0.82 -3.51 117.51 116.76 3mma h ILE 327 Ca -0.06 -1.55 0.00 0.00 1.55 0.00 0.00 64.86 64.81 3mma h ILE 327 Cb 0.55 1.88 0.00 0.00 -0.27 0.00 0.00 36.82 38.98 3mma h ILE 327 CO 0.09 0.18 0.00 0.61 -1.05 0.00 0.00 178.15 177.98 3mma n GLY 328 N 1.26 -1.50 0.16 0.16 0.00 0.14 -4.26 105.19 101.15 3mma n GLY 328 Ca -0.03 -1.55 -0.00 0.00 0.00 0.00 0.00 46.02 44.44 3mma n GLY 328 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3mma h TRP 329 N 0.00 0.06 -0.02 1.61 4.06 -1.97 -2.11 115.95 117.58 3mma h TRP 329 Ca 0.00 -0.02 0.03 0.00 2.06 0.00 0.00 58.89 60.96 3mma h TRP 329 Cb 0.00 -0.01 -0.05 0.00 -1.00 0.00 0.00 29.16 28.10 3mma h TRP 329 CO 0.00 0.55 -0.26 0.93 -3.56 0.00 0.00 178.44 176.10 3mma h GLU 330 N 0.04 -0.38 0.00 0.49 3.07 -1.98 -1.29 114.58 114.53 3mma h GLU 330 Ca -0.00 0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 58.78 3mma h GLU 330 Cb 0.91 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.89 3mma h GLU 330 CO 0.07 -0.25 -0.49 0.00 -1.40 0.00 0.00 179.01 176.94 3mma h ARG 331 N -0.39 0.00 -0.28 2.33 2.47 -1.71 -3.02 114.38 113.78 3mma h ARG 331 Ca 0.07 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.79 3mma h ARG 331 Cb 0.48 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.79 3mma h ARG 331 CO -0.24 0.49 0.17 0.35 0.56 0.00 0.00 179.97 181.30 3mma h PHE 332 N 0.00 0.36 -0.24 3.04 3.57 -0.85 0.04 116.94 122.86 3mma h PHE 332 Ca -0.00 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.36 3mma h PHE 332 Cb 0.98 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 3mma h PHE 332 CO 0.00 0.26 -0.40 0.74 -2.23 0.00 0.00 178.31 176.68 3mma h PHE 333 N 0.36 0.68 -0.00 0.41 -1.00 -1.23 -1.54 116.94 114.63 3mma h PHE 333 Ca 0.10 -0.20 -0.00 0.00 2.81 0.00 0.00 57.97 60.68 3mma h PHE 333 Cb -0.00 -0.15 -0.00 0.00 3.61 0.00 0.00 35.95 39.41 3mma h PHE 333 CO -0.05 0.89 0.00 0.93 -1.61 0.00 0.00 178.31 178.47 3mma h GLU 334 N 0.47 0.00 -0.10 1.51 5.08 -1.45 -0.65 114.58 119.45 3mma h GLU 334 Ca 0.04 -0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 3mma h GLU 334 Cb 0.91 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 3mma h GLU 334 CO 0.08 0.11 -0.54 -0.07 -1.00 0.00 0.00 179.01 177.58 3mma h LEU 335 N -0.10 0.34 -0.12 1.33 3.38 -0.88 -2.75 115.31 116.51 3mma h LEU 335 Ca 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3mma h LEU 335 Cb 0.10 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3mma h LEU 335 CO -0.00 0.81 -0.17 0.35 0.09 0.00 0.00 178.44 179.52 3mma n THR 336 N -3.93 0.00 -2.34 0.22 -2.24 -0.59 -4.85 114.28 100.54 3mma n THR 336 Ca -0.02 -0.03 -0.15 0.00 -2.27 0.00 0.00 64.05 61.58 3mma n THR 336 Cb 0.58 -0.12 -0.00 0.00 -2.10 0.00 0.00 70.33 68.68 3mma n THR 336 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mma n GLY 337 N 1.39 -0.22 3.89 3.38 0.00 -0.84 -4.77 105.19 108.01 3mma n GLY 337 Ca 0.10 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 3mma n GLY 337 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mma s LEU 338 N -4.26 4.17 -0.17 0.99 1.43 -0.31 -5.04 118.68 115.49 3mma s LEU 338 Ca 0.03 0.11 -0.08 0.00 -1.03 0.00 0.00 54.13 53.16 3mma s LEU 338 Cb -0.01 -2.77 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 3mma s LEU 338 CO 0.04 0.10 0.11 -0.70 0.23 0.00 0.00 176.35 176.12 3mma s GLU 339 N -2.93 3.92 -0.02 1.70 2.12 -1.26 -4.57 118.70 117.65 3mma s GLU 339 Ca 0.33 -0.24 -0.27 0.00 0.36 0.00 0.00 54.97 55.15 3mma s GLU 339 Cb -0.11 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 3mma s GLU 339 CO 0.27 0.42 0.85 0.12 -0.54 0.00 0.00 175.26 176.37 3mma s PHE 340 N -0.01 3.64 0.37 5.30 5.36 -1.26 -4.93 117.98 126.45 3mma s PHE 340 Ca 0.09 1.50 0.04 0.00 -0.96 0.00 0.00 56.93 57.59 3mma s PHE 340 Cb -0.12 -2.97 -0.04 0.00 -0.34 0.00 0.00 43.02 39.56 3mma s PHE 340 CO 0.00 0.06 0.12 0.95 -1.46 0.00 0.00 175.22 174.88 3mma s THR 341 N 0.82 0.70 0.39 0.12 -4.23 -1.26 -5.04 115.64 107.14 3mma s THR 341 Ca 0.45 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.22 3mma s THR 341 Cb -0.20 -2.48 0.28 0.00 1.34 0.00 0.00 72.50 71.44 3mma s THR 341 CO 0.24 0.00 2.04 0.06 -0.54 0.00 0.00 174.62 176.41 3mma h GLN 342 N 1.93 0.00 -1.04 3.99 -0.00 -1.98 -2.40 115.11 115.62 3mma h GLN 342 Ca -0.36 0.00 0.28 0.00 -0.00 0.00 0.00 58.65 58.56 3mma h GLN 342 Cb 1.26 0.00 -0.07 0.00 -0.00 0.00 0.00 27.48 28.67 3mma h GLN 342 CO 0.59 0.14 0.70 0.45 -0.00 0.00 0.00 178.83 180.71 3mma h HIS 343 N 0.00 0.42 -0.00 0.06 3.86 -2.01 -1.47 115.15 116.01 3mma h HIS 343 Ca -0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3mma h HIS 343 Cb 0.38 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.73 3mma h HIS 343 CO 0.00 0.05 -0.09 1.28 0.86 0.00 0.00 177.93 180.03 3mma n LEU 344 N -4.47 0.23 -4.59 2.43 4.32 -0.90 -4.68 117.00 109.34 3mma n LEU 344 Ca 0.24 0.20 -0.43 0.00 -0.02 0.00 0.00 56.01 56.00 3mma n LEU 344 Cb 0.95 -0.29 -0.04 0.00 -1.62 0.00 0.00 43.42 42.43 3mma n LEU 344 CO 0.31 0.05 0.78 -0.63 -1.22 0.00 0.00 177.39 176.67 3mma s ILE 345 N -2.67 4.51 0.13 -0.08 1.01 -0.56 -4.97 121.20 118.58 3mma s ILE 345 Ca 0.24 1.01 -0.34 0.00 0.00 0.00 0.00 60.65 61.56 3mma s ILE 345 Cb 0.20 -4.40 -0.14 0.00 0.01 0.00 0.00 42.46 38.13 3mma s ILE 345 CO 0.51 -0.70 1.60 -0.67 0.00 0.00 0.00 174.94 175.68 3mma n ASP 346 N 7.02 3.07 -0.16 3.58 -0.08 -1.26 -4.89 116.55 123.83 3mma n ASP 346 Ca 0.07 1.07 0.02 0.00 -1.51 0.00 0.00 54.79 54.44 3mma n ASP 346 Cb 0.48 -1.41 0.03 0.00 2.34 0.00 0.00 41.12 42.56 3mma n ASP 346 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 3mma n ASP 347 N 3.76 0.96 -4.56 1.67 3.85 -1.26 -5.01 116.55 115.96 3mma n ASP 347 Ca 0.18 -1.97 -0.39 0.00 -0.71 0.00 0.00 54.79 51.90 3mma n ASP 347 Cb 0.28 -0.15 -0.03 0.00 -1.35 0.00 0.00 41.12 39.87 3mma n ASP 347 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.20 175.72 3mma s TYR 348 N -0.87 2.35 0.36 2.11 5.04 -1.26 -4.87 117.35 120.21 3mma s TYR 348 Ca 0.07 -0.42 0.11 0.00 -2.44 0.00 0.00 57.07 54.39 3mma s TYR 348 Cb 0.06 -4.57 0.70 0.00 0.35 0.00 0.00 41.96 38.50 3mma s TYR 348 CO 0.01 -1.95 1.83 0.00 -1.34 0.00 0.00 175.55 174.10 3mma h ARG 349 N 10.27 0.11 -0.07 4.97 2.47 -1.95 -3.29 114.38 126.89 3mma h ARG 349 Ca 0.08 -0.04 -0.10 0.00 -1.26 0.00 0.00 59.98 58.66 3mma h ARG 349 Cb 1.02 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.32 3mma h ARG 349 CO 1.36 0.41 -0.43 0.97 0.56 0.00 0.00 179.97 182.85 3mma h ILE 350 N 0.10 1.32 -2.84 2.04 2.10 -1.89 -3.44 117.51 114.89 3mma h ILE 350 Ca 0.01 -1.53 -0.53 0.00 1.08 0.00 0.00 64.86 63.89 3mma h ILE 350 Cb 0.60 1.74 0.03 0.00 -1.09 0.00 0.00 36.82 38.10 3mma h ILE 350 CO 0.04 0.45 0.86 -0.89 -1.08 0.00 0.00 178.15 177.54 3mma s THR 351 N -4.09 2.85 0.20 2.19 2.01 -1.24 -4.95 115.64 112.61 3mma s THR 351 Ca -0.04 0.57 -0.30 0.00 0.31 0.00 0.00 61.69 62.23 3mma s THR 351 Cb 0.14 -3.37 -0.08 0.00 0.01 0.00 0.00 72.50 69.20 3mma s THR 351 CO 0.76 0.04 1.04 -2.16 -0.69 0.00 0.00 174.62 173.60 3mma s PRO 352 N 1.40 4.68 0.45 4.92 0.04 -1.26 -4.94 135.00 140.29 3mma s PRO 352 Ca 0.69 1.63 0.23 0.00 0.04 0.00 0.00 61.00 63.59 3mma s PRO 352 Cb -0.41 -3.28 1.23 0.00 0.04 0.00 0.00 34.50 32.07 3mma s PRO 352 CO 0.31 0.23 1.83 -0.92 0.04 0.00 0.00 177.00 178.49 3mma h TYR 353 N 4.76 0.40 0.00 0.56 3.20 -1.95 -2.55 116.97 121.39 3mma h TYR 353 Ca -0.45 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.44 3mma h TYR 353 Cb 1.21 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.36 3mma h TYR 353 CO 0.62 0.07 0.00 0.27 -1.64 0.00 0.00 178.16 177.48 3mma h PHE 354 N 0.27 0.00 0.00 -3.82 -5.15 -2.01 -1.03 116.94 105.20 3mma h PHE 354 Ca 0.51 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 58.24 3mma h PHE 354 Cb 1.51 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.67 3mma h PHE 354 CO -0.00 0.00 -0.19 -0.92 -2.00 0.00 0.00 178.31 175.20 3mma h TYR 355 N 0.00 0.00 0.00 6.09 3.20 -1.86 -1.97 116.97 122.43 3mma h TYR 355 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3mma h TYR 355 Cb 0.27 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.54 3mma h TYR 355 CO 0.00 0.19 0.00 -1.13 -1.64 0.00 0.00 178.16 175.58 3mma n SER 356 N -3.32 0.66 -0.12 -2.11 3.41 -0.39 -3.06 113.62 108.69 3mma n SER 356 Ca 0.00 0.67 0.08 0.00 -0.26 0.00 0.00 58.87 59.37 3mma n SER 356 Cb 0.43 -0.81 -0.07 0.00 -0.26 0.00 0.00 64.21 63.50 3mma n SER 356 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3mma n GLU 357 N -2.24 1.32 -2.72 4.33 1.02 -0.75 -4.94 120.64 116.65 3mma n GLU 357 Ca 0.02 -0.25 -0.38 0.00 -0.02 0.00 0.00 57.16 56.53 3mma n GLU 357 Cb 0.22 -1.33 -0.06 0.00 -0.02 0.00 0.00 31.44 30.25 3mma n GLU 357 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3mma s PHE 358 N -2.50 3.68 -0.79 -0.32 0.40 -1.17 -5.00 117.98 112.29 3mma s PHE 358 Ca 0.09 1.78 -0.25 0.00 -0.60 0.00 0.00 56.93 57.95 3mma s PHE 358 Cb 0.14 -2.98 0.04 0.00 0.51 0.00 0.00 43.02 40.72 3mma s PHE 358 CO 0.65 0.10 1.27 0.50 0.70 0.00 0.00 175.22 178.43 3mma s ARG 359 N -1.91 3.27 -1.22 0.44 3.52 -1.26 -4.92 118.95 116.87 3mma s ARG 359 Ca 0.49 -0.53 -0.08 0.00 -0.13 0.00 0.00 55.73 55.48 3mma s ARG 359 Cb -0.21 -4.44 0.21 0.00 -1.56 0.00 0.00 34.95 28.94 3mma s ARG 359 CO 0.27 -2.11 1.76 0.00 -0.81 0.00 0.00 175.30 174.41 3mma n ALA 360 N 9.00 5.32 0.00 6.12 0.00 -1.26 -4.86 120.51 134.83 3mma n ALA 360 Ca 0.09 -4.46 0.00 0.00 0.00 0.00 0.00 53.44 49.07 3mma n ALA 360 Cb 0.49 -2.79 0.00 0.00 0.00 0.00 0.00 19.45 17.15 3mma n ALA 360 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3mma n SER 361 N 3.10 0.00 -1.08 0.00 2.88 -1.26 -4.55 113.62 112.71 3mma n SER 361 Ca 0.36 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 58.01 3mma n SER 361 Cb 0.35 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 64.07 3mma n SER 361 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3mma n THR 362 N -0.51 0.53 -2.62 2.46 -2.24 -1.26 -4.85 114.28 105.79 3mma n THR 362 Ca 0.00 -0.71 -0.43 0.00 -2.27 0.00 0.00 64.05 60.64 3mma n THR 362 Cb 0.00 0.78 -0.02 0.00 -2.10 0.00 0.00 70.33 68.98 3mma n THR 362 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3mma s GLN 363 N -1.47 3.58 0.12 -0.78 -0.21 -1.26 -4.98 119.66 114.66 3mma s GLN 363 Ca 0.39 0.33 -0.24 0.00 0.02 0.00 0.00 55.36 55.86 3mma s GLN 363 Cb 0.22 -3.97 0.07 0.00 1.00 0.00 0.00 33.01 30.32 3mma s GLN 363 CO 0.30 -1.54 0.60 -0.59 -2.12 0.00 0.00 175.29 171.94 3mma s PHE 364 N 4.66 -0.53 0.15 0.91 -0.71 -1.26 -5.08 117.98 116.11 3mma s PHE 364 Ca 0.44 0.43 -0.21 0.00 -1.04 0.00 0.00 56.93 56.55 3mma s PHE 364 Cb -0.08 0.51 -0.08 0.00 -1.21 0.00 0.00 43.02 42.16 3mma s PHE 364 CO 0.27 -0.79 0.68 0.15 -1.34 0.00 0.00 175.22 174.19 3mma s LYS 365 N -3.29 4.34 0.00 1.99 1.02 -1.26 -5.29 119.74 117.26 3mma s LYS 365 Ca -0.01 0.92 0.29 0.00 0.02 0.00 0.00 55.97 57.19 3mma s LYS 365 Cb -0.01 -3.15 1.76 0.00 -0.52 0.00 0.00 37.83 35.91 3mma s LYS 365 CO -0.09 0.55 2.09 0.91 -0.92 0.00 0.00 175.35 177.90