#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a2s s VAL 2 N 0.00 0.24 -0.07 -0.39 1.01 -1.26 -2.99 120.40 116.94 3a2s s VAL 2 Ca 0.00 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.83 3a2s s VAL 2 Cb 0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 3a2s s VAL 2 CO 0.00 -0.09 -0.17 0.42 0.00 0.00 0.00 175.10 175.26 3a2s s THR 3 N 2.00 2.75 -0.03 3.92 -4.23 0.12 -4.96 115.64 115.22 3a2s s THR 3 Ca 0.02 -0.82 -0.19 0.00 -1.18 0.00 0.00 61.69 59.52 3a2s s THR 3 Cb -0.15 -2.07 -0.05 0.00 1.34 0.00 0.00 72.50 71.57 3a2s s THR 3 CO -0.07 0.57 0.54 -0.22 -0.54 0.00 0.00 174.62 174.90 3a2s s LEU 4 N -0.35 4.40 0.28 4.79 2.96 -1.26 -1.62 118.68 127.88 3a2s s LEU 4 Ca 0.03 1.05 -0.12 0.00 -0.22 0.00 0.00 54.13 54.87 3a2s s LEU 4 Cb -0.12 -2.82 0.00 0.00 0.50 0.00 0.00 46.19 43.75 3a2s s LEU 4 CO 0.02 0.12 0.52 -0.72 -1.32 0.00 0.00 176.35 174.97 3a2s s TYR 5 N -0.17 0.42 -4.71 5.38 1.13 -0.71 -5.02 117.35 113.67 3a2s s TYR 5 Ca 0.29 -0.79 0.00 0.00 -1.41 0.00 0.00 57.07 55.15 3a2s s TYR 5 Cb -0.17 0.24 0.00 0.00 -1.10 0.00 0.00 41.96 40.92 3a2s s TYR 5 CO 0.15 -1.08 0.00 0.41 -2.51 0.00 0.00 175.55 172.52 3a2s n GLY 6 N -0.43 -2.55 2.75 5.49 0.00 -0.94 -0.98 105.19 108.53 3a2s n GLY 6 Ca -0.02 -1.29 -0.16 0.00 0.00 0.00 0.00 46.02 44.55 3a2s n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a2s s THR 7 N -2.20 -0.07 -0.21 2.61 2.01 -0.78 -0.64 115.64 116.35 3a2s s THR 7 Ca 0.00 0.28 -0.10 0.00 0.31 0.00 0.00 61.69 62.18 3a2s s THR 7 Cb 0.00 -0.10 -0.05 0.00 0.01 0.00 0.00 72.50 72.36 3a2s s THR 7 CO 0.00 0.11 0.13 -0.63 -0.69 0.00 0.00 174.62 173.54 3a2s s ILE 8 N 1.38 5.29 -0.18 1.82 -1.09 0.39 -1.29 121.20 127.52 3a2s s ILE 8 Ca -0.05 0.15 -0.14 0.00 -2.23 0.00 0.00 60.65 58.38 3a2s s ILE 8 Cb -0.13 -3.43 0.05 0.00 -1.58 0.00 0.00 42.46 37.37 3a2s s ILE 8 CO -0.03 0.41 0.46 -1.59 -1.23 0.00 0.00 174.94 172.96 3a2s s LYS 9 N 0.61 0.50 0.07 2.79 -2.85 -1.26 0.43 119.74 120.03 3a2s s LYS 9 Ca 0.07 0.73 -0.27 0.00 -1.00 0.00 0.00 55.97 55.50 3a2s s LYS 9 Cb -0.12 0.15 0.09 0.00 -2.06 0.00 0.00 37.83 35.89 3a2s s LYS 9 CO 0.01 -0.10 0.99 0.00 0.10 0.00 0.00 175.35 176.35 3a2s s ALA 10 N 0.74 -1.80 0.03 0.59 0.00 -0.62 -0.36 121.76 120.35 3a2s s ALA 10 Ca -0.04 0.53 -0.06 0.00 0.00 0.00 0.00 51.96 52.39 3a2s s ALA 10 Cb -0.05 0.50 0.02 0.00 0.00 0.00 0.00 23.12 23.59 3a2s s ALA 10 CO -0.05 -0.92 0.29 0.41 0.00 0.00 0.00 175.76 175.49 3a2s n GLY 11 N -0.39 0.94 3.48 0.00 0.00 -0.60 -0.40 105.19 108.22 3a2s n GLY 11 Ca -0.07 -0.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 3a2s n GLY 11 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a2s s VAL 12 N -2.34 4.19 -0.04 1.61 1.01 0.53 -0.85 120.40 124.51 3a2s s VAL 12 Ca 0.07 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 61.88 3a2s s VAL 12 Cb -0.01 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 3a2s s VAL 12 CO 0.01 0.41 -0.22 -1.83 0.00 0.00 0.00 175.10 173.47 3a2s s GLU 13 N 1.04 2.35 -0.13 2.72 -1.05 0.56 -1.83 118.70 122.36 3a2s s GLU 13 Ca 0.03 -0.84 0.03 0.00 -0.15 0.00 0.00 54.97 54.03 3a2s s GLU 13 Cb -0.14 -2.19 0.01 0.00 -0.44 0.00 0.00 34.13 31.37 3a2s s GLU 13 CO 0.02 0.54 -0.22 0.08 0.95 0.00 0.00 175.26 176.63 3a2s s VAL 14 N -0.54 2.03 -0.03 1.83 1.01 0.43 -0.96 120.40 124.17 3a2s s VAL 14 Ca 0.07 -0.98 -0.11 0.00 0.00 0.00 0.00 61.98 60.97 3a2s s VAL 14 Cb -0.11 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.50 3a2s s VAL 14 CO 0.00 0.55 0.24 -0.94 0.00 0.00 0.00 175.10 174.96 3a2s s SER 15 N 0.68 -0.15 -0.00 3.32 1.04 -0.25 -0.40 113.70 117.95 3a2s s SER 15 Ca -0.11 0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.45 3a2s s SER 15 Cb -0.16 0.34 -0.01 0.00 0.10 0.00 0.00 66.02 66.29 3a2s s SER 15 CO 0.01 -0.33 -0.05 -0.60 0.98 0.00 0.00 173.24 173.25 3a2s s ARG 16 N -0.95 0.39 -0.06 4.02 3.52 -0.32 -0.62 118.95 124.94 3a2s s ARG 16 Ca -0.10 -0.21 0.04 0.00 -0.13 0.00 0.00 55.73 55.32 3a2s s ARG 16 Cb -0.05 -0.36 -0.02 0.00 -1.56 0.00 0.00 34.95 32.95 3a2s s ARG 16 CO 0.02 0.10 -0.15 0.08 -0.81 0.00 0.00 175.30 174.54 3a2s s VAL 17 N -0.20 2.95 -0.26 7.11 1.01 -1.26 -1.40 120.40 128.34 3a2s s VAL 17 Ca 0.01 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 3a2s s VAL 17 Cb -0.02 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.22 3a2s s VAL 17 CO -0.00 0.58 -0.01 -0.75 0.00 0.00 0.00 175.10 174.93 3a2s s LYS 18 N -0.60 3.03 -0.29 2.72 2.20 0.17 -0.06 119.74 126.92 3a2s s LYS 18 Ca 0.09 -0.86 0.04 0.00 -0.36 0.00 0.00 55.97 54.87 3a2s s LYS 18 Cb -0.11 -3.13 0.18 0.00 -1.51 0.00 0.00 37.83 33.26 3a2s s LYS 18 CO 0.01 -0.38 0.51 0.34 -0.36 0.00 0.00 175.35 175.48 3a2s s ASP 19 N 1.42 -0.77 0.52 1.43 -1.08 0.17 -1.06 116.67 117.29 3a2s s ASP 19 Ca 0.02 0.03 0.18 0.00 -0.52 0.00 0.00 52.55 52.26 3a2s s ASP 19 Cb -0.16 1.66 1.30 0.00 -1.46 0.00 0.00 42.92 44.25 3a2s s ASP 19 CO -0.02 -0.32 2.13 0.00 0.52 0.00 0.00 175.17 177.48 3a2s h ALA 20 N 8.07 2.07 -0.07 3.66 0.00 -1.74 -0.18 119.26 131.07 3a2s h ALA 20 Ca -0.06 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3a2s h ALA 20 Cb 1.16 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 3a2s h ALA 20 CO 0.21 -0.10 -0.10 0.78 0.00 0.00 0.00 179.25 180.04 3a2s h GLY 21 N 0.00 0.20 0.47 0.00 0.00 -1.90 -3.38 103.07 98.47 3a2s h GLY 21 Ca 0.04 -0.23 -0.14 0.00 0.00 0.00 0.00 47.33 47.00 3a2s h GLY 21 CO -0.00 0.20 -1.76 -1.30 0.00 0.00 0.00 176.54 173.68 3a2s n THR 22 N -4.67 0.82 -4.70 4.70 -2.24 -1.10 -4.91 114.28 102.18 3a2s n THR 22 Ca -0.08 -0.66 -0.30 0.00 -2.27 0.00 0.00 64.05 60.75 3a2s n THR 22 Cb 0.34 -0.41 -0.14 0.00 -2.10 0.00 0.00 70.33 68.02 3a2s n THR 22 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3a2s s TYR 23 N -3.05 2.35 -0.01 4.78 2.02 -0.10 -5.04 117.35 118.31 3a2s s TYR 23 Ca -0.06 -0.38 0.01 0.00 -0.37 0.00 0.00 57.07 56.27 3a2s s TYR 23 Cb 0.10 -1.35 -0.02 0.00 -0.40 0.00 0.00 41.96 40.28 3a2s s TYR 23 CO 0.84 0.21 0.03 0.36 -1.57 0.00 0.00 175.55 175.43 3a2s n LYS 24 N 1.45 0.72 -2.06 -0.62 0.00 -1.26 -4.15 118.16 112.24 3a2s n LYS 24 Ca -0.17 -0.01 -0.38 0.00 -0.00 0.00 0.00 58.31 57.74 3a2s n LYS 24 Cb 0.52 -0.98 -0.03 0.00 -0.00 0.00 0.00 35.03 34.54 3a2s n LYS 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3a2s s ALA 25 N -1.99 2.19 -0.54 0.58 0.00 -1.26 -4.10 121.76 116.64 3a2s s ALA 25 Ca -0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 51.96 51.25 3a2s s ALA 25 Cb 0.01 -4.31 -0.01 0.00 0.00 0.00 0.00 23.12 18.81 3a2s s ALA 25 CO 0.05 -3.88 0.50 1.04 0.00 0.00 0.00 175.76 173.48 3a2s n GLN 26 N 9.20 -1.02 -2.34 0.00 6.02 -1.26 -3.57 117.38 124.40 3a2s n GLN 26 Ca 0.20 1.04 -0.06 0.00 -0.01 0.00 0.00 57.00 58.17 3a2s n GLN 26 Cb 0.52 -4.38 0.01 0.00 1.02 0.00 0.00 30.24 27.41 3a2s n GLN 26 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3a2s n GLY 27 N -1.47 0.28 2.46 1.08 0.00 -1.26 -3.46 105.19 102.83 3a2s n GLY 27 Ca -0.01 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3a2s n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a2s n GLY 28 N -0.97 0.43 3.74 -0.02 0.00 -1.26 -4.70 105.19 102.40 3a2s n GLY 28 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 3a2s n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a2s s LYS 29 N -0.51 4.68 0.93 1.61 1.02 -1.22 0.45 119.74 126.71 3a2s s LYS 29 Ca 0.00 1.59 -0.13 0.00 0.02 0.00 0.00 55.97 57.45 3a2s s LYS 29 Cb 0.00 -3.30 0.20 0.00 -0.52 0.00 0.00 37.83 34.21 3a2s s LYS 29 CO 0.00 0.22 1.28 -1.54 -0.92 0.00 0.00 175.35 174.39 3a2s s SER 30 N -0.35 3.20 0.75 2.83 1.04 0.92 -4.35 113.70 117.74 3a2s s SER 30 Ca 0.46 0.08 -0.11 0.00 0.48 0.00 0.00 55.95 56.87 3a2s s SER 30 Cb -0.27 -0.13 0.04 0.00 0.10 0.00 0.00 66.02 65.76 3a2s s SER 30 CO 0.33 -2.66 1.08 -0.54 0.98 0.00 0.00 173.24 172.43 3a2s s LYS 31 N -5.78 2.45 -0.19 4.02 3.01 -1.26 -4.78 119.74 117.20 3a2s s LYS 31 Ca 0.74 0.76 -0.21 0.00 -1.01 0.00 0.00 55.97 56.25 3a2s s LYS 31 Cb -0.03 -1.95 -0.03 0.00 -1.01 0.00 0.00 37.83 34.81 3a2s s LYS 31 CO 0.52 -1.39 0.63 0.99 0.51 0.00 0.00 175.35 176.61 3a2s s THR 32 N -3.12 5.02 -0.09 2.17 2.01 -1.26 -4.55 115.64 115.82 3a2s s THR 32 Ca 0.60 1.20 -0.09 0.00 0.31 0.00 0.00 61.69 63.71 3a2s s THR 32 Cb -0.14 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 3a2s s THR 32 CO 0.54 0.12 0.20 0.00 -0.69 0.00 0.00 174.62 174.79 3a2s s ALA 33 N 1.85 3.83 -0.16 7.40 0.00 0.21 -4.93 121.76 129.97 3a2s s ALA 33 Ca 0.29 -0.54 -0.00 0.00 0.00 0.00 0.00 51.96 51.71 3a2s s ALA 33 Cb -0.16 -2.07 0.04 0.00 0.00 0.00 0.00 23.12 20.93 3a2s s ALA 33 CO 0.11 0.58 -0.06 0.99 0.00 0.00 0.00 175.76 177.38 3a2s s THR 34 N -1.01 1.12 -0.03 0.00 2.01 -1.26 -1.10 115.64 115.37 3a2s s THR 34 Ca 0.17 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.58 3a2s s THR 34 Cb -0.13 -1.27 0.01 0.00 0.01 0.00 0.00 72.50 71.12 3a2s s THR 34 CO 0.06 0.16 -0.05 -1.10 -0.69 0.00 0.00 174.62 173.00 3a2s s GLN 35 N 1.63 0.64 0.09 4.92 -0.21 -0.13 -4.98 119.66 121.62 3a2s s GLN 35 Ca 0.01 -0.13 -0.31 0.00 0.02 0.00 0.00 55.36 54.96 3a2s s GLN 35 Cb -0.15 -0.65 -0.08 0.00 1.00 0.00 0.00 33.01 33.13 3a2s s GLN 35 CO -0.08 -0.01 1.50 0.42 -2.12 0.00 0.00 175.29 175.01 3a2s s ILE 36 N 0.52 3.14 -0.01 1.08 1.01 -1.26 -0.33 121.20 125.35 3a2s s ILE 36 Ca -0.06 0.73 -0.00 0.00 0.00 0.00 0.00 60.65 61.32 3a2s s ILE 36 Cb -0.10 -3.47 0.02 0.00 0.01 0.00 0.00 42.46 38.92 3a2s s ILE 36 CO -0.00 0.03 0.02 0.00 0.00 0.00 0.00 174.94 174.99 3a2s s ALA 37 N 1.73 0.04 0.37 9.38 0.00 -0.03 -4.95 121.76 128.31 3a2s s ALA 37 Ca 0.68 0.21 -0.27 0.00 0.00 0.00 0.00 51.96 52.58 3a2s s ALA 37 Cb -0.38 -0.17 -0.09 0.00 0.00 0.00 0.00 23.12 22.48 3a2s s ALA 37 CO 0.30 -0.07 1.27 0.34 0.00 0.00 0.00 175.76 177.60 3a2s s ASP 38 N 0.70 6.60 0.00 0.00 2.15 -1.26 -1.56 116.67 123.30 3a2s s ASP 38 Ca -0.06 2.59 0.21 0.00 0.43 0.00 0.00 52.55 55.72 3a2s s ASP 38 Cb -0.08 -2.64 0.57 0.00 -0.30 0.00 0.00 42.92 40.47 3a2s s ASP 38 CO -0.02 -0.65 1.48 0.49 -0.17 0.00 0.00 175.17 176.31 3a2s n PHE 39 N 0.46 0.80 0.00 -5.34 3.72 0.52 -4.07 117.46 113.54 3a2s n PHE 39 Ca 0.02 -0.40 0.00 0.00 -0.05 0.00 0.00 57.45 57.02 3a2s n PHE 39 Cb 0.43 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 3a2s n PHE 39 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a2s n GLY 40 N 1.55 0.97 3.64 1.37 0.00 -1.26 -4.52 105.19 106.94 3a2s n GLY 40 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 3a2s n GLY 40 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3a2s n SER 41 N 0.00 1.46 -3.71 1.61 7.64 -1.23 -4.87 113.62 114.52 3a2s n SER 41 Ca 0.00 0.98 -0.12 0.00 1.01 0.00 0.00 58.87 60.74 3a2s n SER 41 Cb 0.00 -1.41 -0.07 0.00 -1.01 0.00 0.00 64.21 61.72 3a2s n SER 41 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 3a2s s LYS 42 N -2.32 0.85 -0.04 1.43 -2.85 -0.41 -0.22 119.74 116.18 3a2s s LYS 42 Ca 0.67 -0.43 -0.04 0.00 -1.00 0.00 0.00 55.97 55.17 3a2s s LYS 42 Cb -0.49 0.37 0.01 0.00 -2.06 0.00 0.00 37.83 35.66 3a2s s LYS 42 CO 0.54 -0.28 0.11 -1.50 0.10 0.00 0.00 175.35 174.32 3a2s s ILE 43 N -2.48 -0.01 0.13 3.79 2.07 -0.85 -1.87 121.20 121.99 3a2s s ILE 43 Ca -0.05 0.03 -0.01 0.00 -1.41 0.00 0.00 60.65 59.21 3a2s s ILE 43 Cb -0.01 -0.17 -0.04 0.00 0.13 0.00 0.00 42.46 42.37 3a2s s ILE 43 CO -0.03 0.01 0.04 -0.83 -1.91 0.00 0.00 174.94 172.23 3a2s s GLY 44 N 0.21 0.98 -0.00 1.50 0.00 -0.15 -0.77 107.32 109.10 3a2s s GLY 44 Ca -0.01 -1.47 0.05 0.00 0.00 0.00 0.00 44.72 43.28 3a2s s GLY 44 CO -0.01 -1.38 -0.15 -1.36 0.00 0.00 0.00 173.10 170.20 3a2s s PHE 45 N -3.98 1.35 0.15 1.90 0.08 -0.24 -1.73 117.98 115.51 3a2s s PHE 45 Ca 0.23 -0.27 -0.21 0.00 0.12 0.00 0.00 56.93 56.80 3a2s s PHE 45 Cb 0.07 -0.86 0.06 0.00 -0.57 0.00 0.00 43.02 41.72 3a2s s PHE 45 CO 0.01 -0.01 0.55 -1.59 -0.10 0.00 0.00 175.22 174.08 3a2s s LYS 46 N -0.47 1.24 0.16 0.44 -2.85 -0.64 -0.12 119.74 117.50 3a2s s LYS 46 Ca 0.05 -0.56 -0.25 0.00 -1.00 0.00 0.00 55.97 54.22 3a2s s LYS 46 Cb -0.06 0.56 0.06 0.00 -2.06 0.00 0.00 37.83 36.33 3a2s s LYS 46 CO -0.00 -0.53 0.95 0.20 0.10 0.00 0.00 175.35 176.07 3a2s s GLY 47 N -2.77 -0.21 0.00 0.59 0.00 -0.94 0.15 107.32 104.13 3a2s s GLY 47 Ca 0.02 0.08 -0.15 0.00 0.00 0.00 0.00 44.72 44.68 3a2s s GLY 47 CO -0.12 0.05 0.31 -0.86 0.00 0.00 0.00 173.10 172.48 3a2s s GLN 48 N -3.28 0.71 -0.05 2.90 -2.07 -1.16 -2.10 119.66 114.61 3a2s s GLN 48 Ca 0.12 -0.27 -0.01 0.00 -1.82 0.00 0.00 55.36 53.39 3a2s s GLN 48 Cb -0.02 0.31 0.03 0.00 -1.09 0.00 0.00 33.01 32.25 3a2s s GLN 48 CO 0.03 -0.20 0.03 -2.00 -1.32 0.00 0.00 175.29 171.82 3a2s s GLU 49 N -1.64 0.18 0.07 9.60 2.12 -0.11 -3.15 118.70 125.78 3a2s s GLU 49 Ca -0.11 0.24 -0.30 0.00 0.36 0.00 0.00 54.97 55.16 3a2s s GLU 49 Cb -0.04 -0.63 -0.09 0.00 0.26 0.00 0.00 34.13 33.63 3a2s s GLU 49 CO 0.02 -0.28 1.86 0.34 -0.54 0.00 0.00 175.26 176.66 3a2s s ASP 50 N 1.88 6.47 0.00 -1.70 2.15 -1.26 -0.97 116.67 123.23 3a2s s ASP 50 Ca 0.02 2.66 0.24 0.00 0.43 0.00 0.00 52.55 55.90 3a2s s ASP 50 Cb -0.12 -2.55 0.44 0.00 -0.30 0.00 0.00 42.92 40.39 3a2s s ASP 50 CO -0.03 -1.01 1.40 0.18 -0.17 0.00 0.00 175.17 175.54 3a2s n LEU 51 N 6.58 2.81 0.00 -1.34 4.77 0.10 -4.93 117.00 124.99 3a2s n LEU 51 Ca 0.18 -1.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.11 3a2s n LEU 51 Cb 0.40 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3a2s n LEU 51 CO 0.66 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.86 3a2s n GLY 52 N 1.36 -0.31 3.43 -0.72 0.00 -1.25 -4.92 105.19 102.78 3a2s n GLY 52 Ca 0.17 -1.34 -0.21 0.00 0.00 0.00 0.00 46.02 44.64 3a2s n GLY 52 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a2s n ASN 53 N -0.40 -6.16 0.00 1.61 3.02 -1.26 -3.76 115.26 108.31 3a2s n ASN 53 Ca 0.00 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 3a2s n ASN 53 Cb 0.00 -4.28 0.00 0.00 -0.61 0.00 0.00 39.78 34.89 3a2s n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a2s n GLY 54 N -1.51 2.35 3.82 7.41 0.00 -1.26 -5.00 105.19 111.00 3a2s n GLY 54 Ca -0.08 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 3a2s n GLY 54 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3a2s s MET 55 N 0.00 4.19 -0.00 1.61 1.75 -1.25 -4.39 119.30 121.21 3a2s s MET 55 Ca 0.00 0.83 0.04 0.00 -1.25 0.00 0.00 55.69 55.30 3a2s s MET 55 Cb 0.00 -2.73 -0.01 0.00 2.84 0.00 0.00 34.83 34.93 3a2s s MET 55 CO 0.00 0.31 -0.12 0.15 -0.65 0.00 0.00 175.02 174.72 3a2s s LYS 56 N -2.29 0.92 0.12 4.11 1.02 0.15 0.00 119.74 123.77 3a2s s LYS 56 Ca 0.47 -0.44 -0.24 0.00 0.02 0.00 0.00 55.97 55.77 3a2s s LYS 56 Cb -0.15 -0.89 -0.07 0.00 -0.52 0.00 0.00 37.83 36.20 3a2s s LYS 56 CO 0.20 0.24 0.74 0.00 -0.92 0.00 0.00 175.35 175.61 3a2s s ALA 57 N -0.34 3.46 0.07 5.17 0.00 -0.15 -1.17 121.76 128.80 3a2s s ALA 57 Ca 0.04 0.29 0.05 0.00 0.00 0.00 0.00 51.96 52.34 3a2s s ALA 57 Cb -0.05 -2.91 -0.03 0.00 0.00 0.00 0.00 23.12 20.13 3a2s s ALA 57 CO -0.00 0.26 -0.14 0.96 0.00 0.00 0.00 175.76 176.84 3a2s s ILE 58 N -0.90 1.06 0.11 0.00 -4.36 -0.32 -0.93 121.20 115.86 3a2s s ILE 58 Ca 0.35 -1.28 -0.19 0.00 -0.26 0.00 0.00 60.65 59.28 3a2s s ILE 58 Cb -0.22 -1.03 0.05 0.00 1.25 0.00 0.00 42.46 42.51 3a2s s ILE 58 CO 0.24 -0.23 0.47 -1.66 0.24 0.00 0.00 174.94 174.00 3a2s s TRP 59 N -1.27 -0.32 -0.21 1.37 1.48 -0.89 -0.59 118.94 118.50 3a2s s TRP 59 Ca -0.03 0.12 -0.20 0.00 -1.06 0.00 0.00 56.10 54.94 3a2s s TRP 59 Cb -0.10 0.33 0.06 0.00 -1.16 0.00 0.00 33.47 32.60 3a2s s TRP 59 CO 0.02 -0.71 0.57 -1.14 -4.06 0.00 0.00 176.95 171.63 3a2s s GLN 60 N -3.41 0.66 -0.28 3.25 0.74 -0.36 -2.22 119.66 118.05 3a2s s GLN 60 Ca 0.00 0.79 -0.00 0.00 0.05 0.00 0.00 55.36 56.20 3a2s s GLN 60 Cb 0.01 0.32 0.08 0.00 1.10 0.00 0.00 33.01 34.52 3a2s s GLN 60 CO -0.09 -0.08 0.05 -0.51 -0.55 0.00 0.00 175.29 174.11 3a2s s LEU 61 N 0.30 2.37 0.02 3.68 1.43 0.83 -0.93 118.68 126.37 3a2s s LEU 61 Ca -0.00 -1.44 0.08 0.00 -1.03 0.00 0.00 54.13 51.74 3a2s s LEU 61 Cb -0.04 -0.96 -0.03 0.00 0.03 0.00 0.00 46.19 45.19 3a2s s LEU 61 CO 0.01 -0.35 -0.22 -0.70 0.23 0.00 0.00 176.35 175.32 3a2s s GLU 62 N 1.54 2.05 0.06 1.70 2.12 -1.20 -1.07 118.70 123.90 3a2s s GLU 62 Ca 0.05 -0.98 0.04 0.00 0.36 0.00 0.00 54.97 54.44 3a2s s GLU 62 Cb -0.18 -2.12 -0.03 0.00 0.26 0.00 0.00 34.13 32.07 3a2s s GLU 62 CO -0.16 0.55 -0.13 -0.65 -0.54 0.00 0.00 175.26 174.33 3a2s s GLN 63 N -1.12 0.78 0.25 4.30 1.11 0.05 -1.78 119.66 123.26 3a2s s GLN 63 Ca 0.12 -0.85 -0.30 0.00 0.01 0.00 0.00 55.36 54.35 3a2s s GLN 63 Cb -0.10 -0.74 -0.09 0.00 -1.01 0.00 0.00 33.01 31.07 3a2s s GLN 63 CO 0.02 0.17 1.26 0.15 0.01 0.00 0.00 175.29 176.90 3a2s s LYS 64 N -1.52 4.44 -0.29 2.91 1.02 -1.26 -2.00 119.74 123.04 3a2s s LYS 64 Ca -0.03 2.04 0.01 0.00 0.02 0.00 0.00 55.97 58.01 3a2s s LYS 64 Cb -0.09 -3.16 0.16 0.00 -0.52 0.00 0.00 37.83 34.21 3a2s s LYS 64 CO 0.02 -0.12 0.39 0.00 -0.92 0.00 0.00 175.35 174.72 3a2s s ALA 65 N -0.54 -1.12 -0.11 5.17 0.00 0.70 -4.76 121.76 121.09 3a2s s ALA 65 Ca 0.51 0.24 -0.10 0.00 0.00 0.00 0.00 51.96 52.61 3a2s s ALA 65 Cb -0.36 -2.02 -0.05 0.00 0.00 0.00 0.00 23.12 20.70 3a2s s ALA 65 CO 0.43 -1.70 0.20 0.45 0.00 0.00 0.00 175.76 175.14 3a2s s SER 66 N 2.53 6.44 0.00 0.00 0.15 -1.25 -2.98 113.70 118.58 3a2s s SER 66 Ca 0.10 0.53 0.21 0.00 0.70 0.00 0.00 55.95 57.49 3a2s s SER 66 Cb -0.13 -2.12 1.21 0.00 -1.71 0.00 0.00 66.02 63.28 3a2s s SER 66 CO -0.29 0.33 1.66 2.30 1.20 0.00 0.00 173.24 178.44 3a2s n ILE 67 N 2.34 0.12 1.40 6.45 -5.35 -1.26 -1.90 119.36 121.16 3a2s n ILE 67 Ca -0.17 0.03 0.14 0.00 -0.27 0.00 0.00 62.75 62.47 3a2s n ILE 67 Cb 0.54 -0.69 0.51 0.00 -1.74 0.00 0.00 39.64 38.25 3a2s n ILE 67 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3a2s n ALA 68 N -1.09 2.83 -1.90 -1.28 0.00 -1.26 -4.97 120.51 112.84 3a2s n ALA 68 Ca 0.14 -0.38 -0.07 0.00 0.00 0.00 0.00 53.44 53.14 3a2s n ALA 68 Cb 0.10 -1.21 -0.01 0.00 0.00 0.00 0.00 19.45 18.33 3a2s n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a2s n GLY 69 N 1.26 0.29 0.01 0.00 0.00 -0.80 -4.95 105.19 101.01 3a2s n GLY 69 Ca 0.15 -0.63 0.11 0.00 0.00 0.00 0.00 46.02 45.65 3a2s n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a2s n THR 70 N -3.70 0.06 -3.44 2.61 -2.24 -1.26 -4.95 114.28 101.35 3a2s n THR 70 Ca -0.08 -0.21 -0.31 0.00 -2.27 0.00 0.00 64.05 61.18 3a2s n THR 70 Cb 0.48 0.45 -0.05 0.00 -2.10 0.00 0.00 70.33 69.11 3a2s n THR 70 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3a2s s ASN 71 N -3.71 6.54 -0.01 3.42 0.02 -1.26 -5.06 114.94 114.88 3a2s s ASN 71 Ca 0.03 0.79 -0.08 0.00 -1.02 0.00 0.00 52.86 52.57 3a2s s ASN 71 Cb 0.15 -2.17 0.01 0.00 0.02 0.00 0.00 41.25 39.25 3a2s s ASN 71 CO 0.85 -0.09 0.17 -0.94 0.02 0.00 0.00 177.10 177.11 3a2s s SER 72 N -2.64 -0.03 0.00 -1.22 1.04 -1.26 -4.92 113.70 104.67 3a2s s SER 72 Ca 0.45 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.77 3a2s s SER 72 Cb -0.11 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.25 3a2s s SER 72 CO 0.25 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.72 3a2s n GLY 73 N 1.55 3.83 3.67 7.32 0.00 -1.26 -5.00 105.19 115.30 3a2s n GLY 73 Ca -0.22 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 43.92 3a2s n GLY 73 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3a2s s TRP 74 N -1.85 3.10 -0.93 1.61 0.52 -1.26 -4.67 118.94 115.46 3a2s s TRP 74 Ca 0.00 0.12 0.00 0.00 0.02 0.00 0.00 56.10 56.24 3a2s s TRP 74 Cb 0.00 -1.72 0.00 0.00 -1.15 0.00 0.00 33.47 30.60 3a2s s TRP 74 CO 0.00 0.45 0.00 0.41 0.02 0.00 0.00 176.95 177.83 3a2s n GLY 75 N 1.80 1.00 0.63 0.98 0.00 -1.17 -4.88 105.19 103.55 3a2s n GLY 75 Ca -0.17 -0.63 0.11 0.00 0.00 0.00 0.00 46.02 45.33 3a2s n GLY 75 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3a2s n ASN 76 N 0.55 1.91 -4.29 1.61 0.23 -1.14 -4.68 115.26 109.45 3a2s n ASN 76 Ca -0.09 -1.74 -0.26 0.00 -0.53 0.00 0.00 54.58 51.96 3a2s n ASN 76 Cb 0.31 -0.11 -0.04 0.00 -2.08 0.00 0.00 39.78 37.85 3a2s n ASN 76 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3a2s n ARG 77 N 0.48 0.92 -1.67 -3.83 1.74 -0.73 -4.77 116.66 108.80 3a2s n ARG 77 Ca 0.17 -3.05 -0.54 0.00 -0.77 0.00 0.00 57.85 53.66 3a2s n ARG 77 Cb 0.37 0.68 -0.06 0.00 -1.02 0.00 0.00 32.46 32.43 3a2s n ARG 77 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3a2s n GLN 78 N -1.22 1.41 -3.75 5.56 7.27 -1.26 -4.44 117.38 120.95 3a2s n GLN 78 Ca -0.13 0.51 -0.12 0.00 0.07 0.00 0.00 57.00 57.33 3a2s n GLN 78 Cb 0.54 -2.22 -0.11 0.00 2.41 0.00 0.00 30.24 30.85 3a2s n GLN 78 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 3a2s s SER 79 N 2.61 -0.35 0.16 1.69 0.01 -0.14 -3.20 113.70 114.48 3a2s s SER 79 Ca 0.92 0.66 -0.24 0.00 1.31 0.00 0.00 55.95 58.59 3a2s s SER 79 Cb -0.94 0.63 0.06 0.00 0.21 0.00 0.00 66.02 65.98 3a2s s SER 79 CO 0.56 -0.13 0.88 0.72 0.41 0.00 0.00 173.24 175.68 3a2s s PHE 80 N 0.49 -0.19 0.15 2.43 -0.12 -0.11 -0.65 117.98 119.97 3a2s s PHE 80 Ca -0.03 -0.12 0.09 0.00 -0.05 0.00 0.00 56.93 56.83 3a2s s PHE 80 Cb -0.04 0.64 -0.04 0.00 -0.63 0.00 0.00 43.02 42.95 3a2s s PHE 80 CO -0.03 -0.88 -0.21 -1.50 -0.05 0.00 0.00 175.22 172.56 3a2s s ILE 81 N -3.43 1.91 0.09 -4.49 2.07 -0.85 -1.22 121.20 115.27 3a2s s ILE 81 Ca 0.10 -1.81 -0.14 0.00 -1.41 0.00 0.00 60.65 57.39 3a2s s ILE 81 Cb -0.02 -1.81 0.05 0.00 0.13 0.00 0.00 42.46 40.80 3a2s s ILE 81 CO 0.01 -0.17 0.68 0.61 -1.91 0.00 0.00 174.94 174.16 3a2s n GLY 82 N 0.58 0.75 3.16 1.50 0.00 0.24 -1.26 105.19 110.17 3a2s n GLY 82 Ca -0.15 -1.04 -0.20 0.00 0.00 0.00 0.00 46.02 44.63 3a2s n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a2s s LEU 83 N 0.00 2.20 -0.01 0.99 1.43 0.05 -1.17 118.68 122.18 3a2s s LEU 83 Ca 0.15 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 3a2s s LEU 83 Cb -0.01 -0.60 -0.00 0.00 0.03 0.00 0.00 46.19 45.61 3a2s s LEU 83 CO 0.03 0.01 -0.04 -0.75 0.23 0.00 0.00 176.35 175.83 3a2s s LYS 84 N -1.33 0.33 0.00 1.70 2.20 -0.32 -0.86 119.74 121.46 3a2s s LYS 84 Ca 0.01 -0.13 0.00 0.00 -0.36 0.00 0.00 55.97 55.49 3a2s s LYS 84 Cb -0.09 -0.33 0.00 0.00 -1.51 0.00 0.00 37.83 35.90 3a2s s LYS 84 CO 0.02 0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.49 3a2s n GLY 85 N 3.07 2.30 0.22 5.54 0.00 -0.53 0.34 105.19 116.13 3a2s n GLY 85 Ca -0.14 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.63 3a2s n GLY 85 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3a2s h GLY 86 N 0.00 0.00 2.00 -0.02 0.00 -1.95 -2.78 103.07 100.32 3a2s h GLY 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3a2s h GLY 86 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 176.54 178.51 3a2s n PHE 87 N -3.58 0.50 0.00 5.60 -1.74 -1.26 -4.80 117.46 112.17 3a2s n PHE 87 Ca -0.01 0.19 0.00 0.00 -0.56 0.00 0.00 57.45 57.07 3a2s n PHE 87 Cb 0.40 -0.81 0.00 0.00 1.52 0.00 0.00 39.48 40.60 3a2s n PHE 87 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3a2s n GLY 88 N 0.16 0.45 2.79 4.97 0.00 -1.05 -4.52 105.19 108.00 3a2s n GLY 88 Ca 0.03 -1.71 -0.14 0.00 0.00 0.00 0.00 46.02 44.19 3a2s n GLY 88 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a2s s THR 89 N 0.00 -0.05 -0.07 2.61 2.01 0.76 -1.45 115.64 119.46 3a2s s THR 89 Ca 0.00 0.18 0.05 0.00 0.31 0.00 0.00 61.69 62.22 3a2s s THR 89 Cb 0.00 -0.07 -0.00 0.00 0.01 0.00 0.00 72.50 72.44 3a2s s THR 89 CO 0.00 0.07 -0.21 0.54 -0.69 0.00 0.00 174.62 174.33 3a2s s VAL 90 N 0.87 1.78 0.03 3.82 0.11 -0.04 -0.17 120.40 126.80 3a2s s VAL 90 Ca -0.07 -0.89 0.00 0.00 -2.93 0.00 0.00 61.98 58.09 3a2s s VAL 90 Cb -0.10 -1.53 -0.02 0.00 -1.53 0.00 0.00 36.38 33.19 3a2s s VAL 90 CO -0.02 0.50 -0.04 -0.13 -3.33 0.00 0.00 175.10 172.07 3a2s s ARG 91 N 0.12 0.39 -0.00 1.54 0.52 -0.42 -0.77 118.95 120.34 3a2s s ARG 91 Ca -0.09 -0.70 0.02 0.00 -0.52 0.00 0.00 55.73 54.44 3a2s s ARG 91 Cb -0.15 0.01 -0.01 0.00 0.52 0.00 0.00 34.95 35.33 3a2s s ARG 91 CO 0.05 -0.03 -0.08 0.00 0.02 0.00 0.00 175.30 175.26 3a2s s ALA 92 N -1.65 0.66 0.00 2.13 0.00 -0.38 -0.79 121.76 121.72 3a2s s ALA 92 Ca -0.12 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.45 3a2s s ALA 92 Cb -0.08 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.88 3a2s s ALA 92 CO -0.01 0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.31 3a2s n GLY 93 N 2.75 0.26 3.50 0.00 0.00 -0.86 -2.00 105.19 108.84 3a2s n GLY 93 Ca -0.14 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 3a2s n GLY 93 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3a2s s ASN 94 N -4.00 6.23 -0.01 1.61 3.04 0.18 -1.64 114.94 120.35 3a2s s ASN 94 Ca 0.00 -0.89 0.05 0.00 0.04 0.00 0.00 52.86 52.06 3a2s s ASN 94 Cb 0.00 -2.49 -0.03 0.00 -1.54 0.00 0.00 41.25 37.19 3a2s s ASN 94 CO 0.00 -1.59 -0.15 -0.76 -3.04 0.00 0.00 177.10 171.56 3a2s s LEU 95 N 4.75 2.70 0.35 3.21 1.43 -0.23 -0.97 118.68 129.93 3a2s s LEU 95 Ca 0.30 -0.28 -0.28 0.00 -1.03 0.00 0.00 54.13 52.85 3a2s s LEU 95 Cb -0.11 -1.56 -0.12 0.00 0.03 0.00 0.00 46.19 44.43 3a2s s LEU 95 CO 0.09 0.31 1.26 0.59 0.23 0.00 0.00 176.35 178.83 3a2s n ASN 96 N 1.97 2.60 -4.82 2.29 3.02 -1.26 -0.89 115.26 118.17 3a2s n ASN 96 Ca -0.16 1.19 -0.32 0.00 -0.03 0.00 0.00 54.58 55.26 3a2s n ASN 96 Cb 0.52 -1.47 0.02 0.00 -0.61 0.00 0.00 39.78 38.24 3a2s n ASN 96 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3a2s s THR 97 N -1.11 4.11 0.28 3.41 -1.32 -0.57 -4.85 115.64 115.60 3a2s s THR 97 Ca 0.56 0.84 -0.02 0.00 -1.21 0.00 0.00 61.69 61.86 3a2s s THR 97 Cb -0.57 -3.50 0.27 0.00 -1.51 0.00 0.00 72.50 67.19 3a2s s THR 97 CO 0.61 -0.75 1.93 0.58 -2.21 0.00 0.00 174.62 174.78 3a2s h VAL 98 N -0.03 1.16 -0.35 5.08 2.07 -1.90 -1.11 116.25 121.17 3a2s h VAL 98 Ca -0.45 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 66.61 3a2s h VAL 98 Cb 1.21 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3a2s h VAL 98 CO 0.58 0.21 -0.05 -0.07 0.02 0.00 0.00 177.57 178.27 3a2s h LEU 99 N 1.16 0.54 -0.42 2.57 3.38 -1.88 -1.80 115.31 118.85 3a2s h LEU 99 Ca 0.37 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 58.15 3a2s h LEU 99 Cb 0.02 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3a2s h LEU 99 CO -0.11 0.64 0.00 0.50 0.09 0.00 0.00 178.44 179.56 3a2s h LYS 100 N 0.53 0.73 -0.72 1.13 3.64 -1.51 -2.61 116.57 117.76 3a2s h LYS 100 Ca 0.11 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 3a2s h LYS 100 Cb 0.41 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 3a2s h LYS 100 CO 0.02 0.81 0.41 -0.44 -2.27 0.00 0.00 179.45 177.98 3a2s h ASP 101 N 0.57 0.90 0.20 4.20 3.32 -1.08 -2.44 116.42 122.09 3a2s h ASP 101 Ca 0.12 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 3a2s h ASP 101 Cb 0.48 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 3a2s h ASP 101 CO 0.02 0.73 -0.00 0.77 -1.72 0.00 0.00 179.24 179.04 3a2s h SER 102 N 1.00 0.00 0.28 6.45 4.64 -1.14 -2.50 113.55 122.28 3a2s h SER 102 Ca 0.26 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.57 3a2s h SER 102 Cb 0.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3a2s h SER 102 CO -0.04 0.00 -0.03 1.23 -0.87 0.00 0.00 176.83 177.12 3a2s h GLY 103 N 0.40 0.00 0.71 -0.77 0.00 -1.06 -2.20 103.07 100.16 3a2s h GLY 103 Ca -0.00 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.49 3a2s h GLY 103 CO 0.00 0.00 0.48 -0.55 0.00 0.00 0.00 176.54 176.47 3a2s h ASP 104 N 0.00 0.23 -0.55 0.19 3.32 -1.59 -0.32 116.42 117.70 3a2s h ASP 104 Ca -0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3a2s h ASP 104 Cb 0.18 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3a2s h ASP 104 CO 0.00 0.12 0.00 0.59 -1.72 0.00 0.00 179.24 178.23 3a2s n ASN 105 N -4.43 3.56 -0.01 6.45 4.13 -0.83 -4.46 115.26 119.67 3a2s n ASN 105 Ca 0.13 -2.20 -0.03 0.00 1.68 0.00 0.00 54.58 54.17 3a2s n ASN 105 Cb 0.60 -0.46 -0.01 0.00 -1.54 0.00 0.00 39.78 38.37 3a2s n ASN 105 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3a2s n VAL 106 N 1.02 0.16 -3.95 2.41 0.31 -0.40 -4.84 118.33 113.04 3a2s n VAL 106 Ca 0.20 -0.04 -0.32 0.00 -0.01 0.00 0.00 64.34 64.17 3a2s n VAL 106 Cb 0.63 -1.47 -0.14 0.00 -0.91 0.00 0.00 33.84 31.95 3a2s n VAL 106 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3a2s s ASN 107 N -5.19 4.75 0.00 4.52 3.04 -0.27 -4.90 114.94 116.89 3a2s s ASN 107 Ca -0.04 -2.41 0.17 0.00 0.04 0.00 0.00 52.86 50.62 3a2s s ASN 107 Cb 0.02 -1.68 0.56 0.00 -1.54 0.00 0.00 41.25 38.61 3a2s s ASN 107 CO 0.05 -0.36 1.43 0.00 -3.04 0.00 0.00 177.10 175.18 3a2s n ALA 108 N 3.95 2.48 -2.76 1.71 0.00 -1.26 -4.77 120.51 119.86 3a2s n ALA 108 Ca 0.04 -0.62 -0.31 0.00 0.00 0.00 0.00 53.44 52.55 3a2s n ALA 108 Cb 0.39 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.78 3a2s n ALA 108 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3a2s s TRP 109 N -1.64 3.49 -0.07 0.00 0.52 -1.26 -5.10 118.94 114.88 3a2s s TRP 109 Ca 0.30 0.43 0.02 0.00 0.02 0.00 0.00 56.10 56.87 3a2s s TRP 109 Cb 0.16 -1.91 -0.03 0.00 -1.15 0.00 0.00 33.47 30.54 3a2s s TRP 109 CO 0.23 0.47 -0.10 -1.21 0.02 0.00 0.00 176.95 176.35 3a2s s GLU 110 N -2.74 2.77 0.21 4.98 0.41 -1.26 -4.94 118.70 118.13 3a2s s GLU 110 Ca 0.39 -0.62 -0.23 0.00 -0.41 0.00 0.00 54.97 54.10 3a2s s GLU 110 Cb -0.12 -2.53 0.04 0.00 -1.78 0.00 0.00 34.13 29.74 3a2s s GLU 110 CO 0.26 0.58 0.86 -1.54 -0.49 0.00 0.00 175.26 174.93 3a2s s SER 111 N -0.58 -0.21 1.06 -0.19 1.04 -1.26 -4.89 113.70 108.66 3a2s s SER 111 Ca 0.09 -0.50 -0.17 0.00 0.48 0.00 0.00 55.95 55.85 3a2s s SER 111 Cb -0.12 0.59 0.22 0.00 0.10 0.00 0.00 66.02 66.82 3a2s s SER 111 CO 0.02 -1.10 1.18 -0.83 0.98 0.00 0.00 173.24 173.49 3a2s s GLY 112 N -2.94 1.64 0.33 7.32 0.00 -1.26 -4.44 107.32 107.98 3a2s s GLY 112 Ca 0.12 -0.92 0.05 0.00 0.00 0.00 0.00 44.72 43.96 3a2s s GLY 112 CO 0.04 -0.15 1.83 1.48 0.00 0.00 0.00 173.10 176.30 3a2s h SER 113 N -2.03 0.41 0.35 1.64 4.64 -1.93 -2.95 113.55 113.66 3a2s h SER 113 Ca -0.46 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 60.72 3a2s h SER 113 Cb 1.28 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3a2s h SER 113 CO 0.42 0.57 -0.16 -1.13 -0.87 0.00 0.00 176.83 175.67 3a2s h ASN 114 N 0.40 0.00 -0.25 4.97 -1.24 -1.95 -3.21 115.58 114.29 3a2s h ASN 114 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.08 3a2s h ASN 114 Cb 0.47 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.52 3a2s h ASN 114 CO 0.03 0.16 0.00 0.35 -1.29 0.00 0.00 177.43 176.67 3a2s n THR 115 N -3.80 1.36 0.28 -3.57 -2.24 -1.12 -4.74 114.28 100.45 3a2s n THR 115 Ca -0.02 -1.29 0.13 0.00 -2.27 0.00 0.00 64.05 60.61 3a2s n THR 115 Cb 0.26 0.28 0.84 0.00 -2.10 0.00 0.00 70.33 69.60 3a2s n THR 115 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3a2s h GLU 116 N 1.51 0.00 0.00 -0.78 5.08 -1.55 0.32 114.58 119.15 3a2s h GLU 116 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3a2s h GLU 116 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 3a2s h GLU 116 CO 0.05 0.00 -0.89 -0.44 -1.00 0.00 0.00 179.01 176.73 3a2s h ASP 117 N 0.00 0.00 0.00 1.42 3.32 -1.85 -2.14 116.42 117.17 3a2s h ASP 117 Ca 0.00 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 56.91 3a2s h ASP 117 Cb 0.02 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3a2s h ASP 117 CO -0.00 0.04 -1.26 0.55 -1.72 0.00 0.00 179.24 176.85 3a2s n VAL 118 N -2.50 0.25 0.41 -1.35 3.14 -0.71 -4.35 118.33 113.22 3a2s n VAL 118 Ca 0.01 -0.16 0.11 0.00 -2.96 0.00 0.00 64.34 61.35 3a2s n VAL 118 Cb 0.52 -0.81 0.19 0.00 -1.06 0.00 0.00 33.84 32.68 3a2s n VAL 118 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3a2s n LEU 119 N -2.11 3.33 -3.95 6.55 4.77 0.10 -4.14 117.00 121.56 3a2s n LEU 119 Ca -0.06 -1.41 -0.10 0.00 -0.03 0.00 0.00 56.01 54.41 3a2s n LEU 119 Cb 0.59 -0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 41.42 3a2s n LEU 119 CO 0.08 0.69 0.04 -0.83 -1.33 0.00 0.00 177.39 176.05 3a2s s GLY 120 N -1.54 0.45 -1.52 -0.72 0.00 -1.22 -4.49 107.32 98.29 3a2s s GLY 120 Ca 0.35 -0.83 -0.09 0.00 0.00 0.00 0.00 44.72 44.16 3a2s s GLY 120 CO 0.30 -0.75 2.73 1.04 0.00 0.00 0.00 173.10 176.42 3a2s n LEU 121 N -0.26 8.40 0.06 0.66 4.77 -1.26 -4.20 117.00 125.17 3a2s n LEU 121 Ca -0.06 -4.50 -0.00 0.00 -0.03 0.00 0.00 56.01 51.41 3a2s n LEU 121 Cb 0.63 -1.51 0.29 0.00 -2.33 0.00 0.00 43.42 40.50 3a2s n LEU 121 CO 0.23 1.99 0.82 1.23 -1.33 0.00 0.00 177.39 180.33 3a2s h GLY 122 N 6.84 0.39 0.88 -0.72 0.00 -1.58 -3.21 103.07 105.68 3a2s h GLY 122 Ca 0.80 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.80 3a2s h GLY 122 CO 1.71 0.25 -0.02 -0.84 0.00 0.00 0.00 176.54 177.64 3a2s h THR 123 N 0.33 1.27 0.00 4.70 2.02 -1.84 -2.34 112.91 117.04 3a2s h THR 123 Ca 0.06 -1.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.21 3a2s h THR 123 Cb 0.51 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 3a2s h THR 123 CO 0.03 0.32 -0.17 -0.29 0.37 0.00 0.00 175.52 175.78 3a2s h ILE 124 N 0.32 1.01 0.00 3.11 2.10 -1.97 -2.16 117.51 119.92 3a2s h ILE 124 Ca 0.08 -0.61 0.00 0.00 1.08 0.00 0.00 64.86 65.41 3a2s h ILE 124 Cb 0.48 1.34 0.00 0.00 -1.09 0.00 0.00 36.82 37.55 3a2s h ILE 124 CO 0.02 0.17 0.00 0.61 -1.08 0.00 0.00 178.15 177.87 3a2s n GLY 125 N -0.94 -0.95 0.26 8.18 0.00 -0.90 -4.14 105.19 106.70 3a2s n GLY 125 Ca -0.02 -0.19 0.18 0.00 0.00 0.00 0.00 46.02 45.98 3a2s n GLY 125 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3a2s h ARG 126 N 0.00 0.00 -0.01 1.61 0.11 -1.16 -1.11 114.38 113.82 3a2s h ARG 126 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3a2s h ARG 126 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 3a2s h ARG 126 CO 0.00 0.00 -0.23 1.33 0.10 0.00 0.00 179.97 181.17 3a2s n VAL 127 N -2.73 0.00 -3.48 0.08 0.24 -1.26 -4.47 118.33 106.71 3a2s n VAL 127 Ca -0.02 -0.10 -0.38 0.00 -2.04 0.00 0.00 64.34 61.80 3a2s n VAL 127 Cb 0.08 0.25 -0.06 0.00 -1.47 0.00 0.00 33.84 32.64 3a2s n VAL 127 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3a2s s GLU 128 N -2.53 3.95 0.26 7.34 2.02 -0.42 -4.86 118.70 124.45 3a2s s GLU 128 Ca 0.25 0.43 -0.17 0.00 0.02 0.00 0.00 54.97 55.50 3a2s s GLU 128 Cb 0.19 -3.23 0.01 0.00 0.10 0.00 0.00 34.13 31.20 3a2s s GLU 128 CO 0.52 0.67 0.59 -1.54 0.02 0.00 0.00 175.26 175.52 3a2s s SER 129 N -1.03 -0.17 -0.08 -0.19 1.04 -1.26 -4.98 113.70 107.04 3a2s s SER 129 Ca 0.24 -0.78 -0.05 0.00 0.48 0.00 0.00 55.95 55.84 3a2s s SER 129 Cb -0.17 0.65 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 3a2s s SER 129 CO 0.14 -1.24 0.12 -0.13 0.98 0.00 0.00 173.24 173.11 3a2s s ARG 130 N -3.97 3.33 0.02 4.02 0.52 -1.26 -1.51 118.95 120.09 3a2s s ARG 130 Ca 0.17 -0.25 0.00 0.00 -0.52 0.00 0.00 55.73 55.14 3a2s s ARG 130 Cb -0.03 -3.07 -0.01 0.00 0.52 0.00 0.00 34.95 32.35 3a2s s ARG 130 CO 0.08 0.73 -0.03 -1.21 0.02 0.00 0.00 175.30 174.89 3a2s s GLU 131 N -1.26 0.27 -0.24 3.54 0.41 -0.06 -4.89 118.70 116.46 3a2s s GLU 131 Ca 0.18 -0.43 -0.29 0.00 -0.41 0.00 0.00 54.97 54.02 3a2s s GLU 131 Cb -0.12 -0.02 -0.02 0.00 -1.78 0.00 0.00 34.13 32.19 3a2s s GLU 131 CO 0.08 -0.01 1.54 0.42 -0.49 0.00 0.00 175.26 176.80 3a2s s ILE 132 N -0.94 3.80 0.25 -1.63 -1.09 -1.26 -1.07 121.20 119.27 3a2s s ILE 132 Ca -0.09 0.90 -0.21 0.00 -2.23 0.00 0.00 60.65 59.02 3a2s s ILE 132 Cb -0.07 -3.82 0.05 0.00 -1.58 0.00 0.00 42.46 37.05 3a2s s ILE 132 CO -0.00 -0.34 0.86 -0.94 -1.23 0.00 0.00 174.94 173.28 3a2s s SER 133 N 3.90 -0.12 -0.00 3.58 1.04 -0.65 -4.62 113.70 116.82 3a2s s SER 133 Ca 0.68 -0.70 0.05 0.00 0.48 0.00 0.00 55.95 56.46 3a2s s SER 133 Cb -0.23 0.65 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 3a2s s SER 133 CO 0.28 -1.25 -0.15 0.68 0.98 0.00 0.00 173.24 173.77 3a2s s VAL 134 N -3.04 2.97 -0.02 5.02 -7.23 -0.72 -2.02 120.40 115.37 3a2s s VAL 134 Ca 0.14 -0.95 -0.01 0.00 -1.81 0.00 0.00 61.98 59.35 3a2s s VAL 134 Cb -0.04 -2.21 0.01 0.00 0.56 0.00 0.00 36.38 34.69 3a2s s VAL 134 CO 0.06 0.45 0.04 -0.60 -0.31 0.00 0.00 175.10 174.75 3a2s s ARG 135 N -1.12 0.03 -0.11 4.82 3.52 0.03 -1.19 118.95 124.93 3a2s s ARG 135 Ca 0.14 0.08 0.01 0.00 -0.13 0.00 0.00 55.73 55.82 3a2s s ARG 135 Cb -0.11 -0.02 -0.02 0.00 -1.56 0.00 0.00 34.95 33.25 3a2s s ARG 135 CO 0.03 -0.03 -0.14 -0.47 -0.81 0.00 0.00 175.30 173.89 3a2s s TYR 136 N 0.17 2.78 -0.11 5.12 5.04 0.36 -1.30 117.35 129.41 3a2s s TYR 136 Ca -0.01 -0.53 0.03 0.00 -2.44 0.00 0.00 57.07 54.12 3a2s s TYR 136 Cb -0.02 -1.78 0.00 0.00 0.35 0.00 0.00 41.96 40.51 3a2s s TYR 136 CO -0.01 -0.11 -0.22 -0.51 -1.34 0.00 0.00 175.55 173.37 3a2s s ASP 137 N 0.07 2.90 0.71 4.32 1.11 0.77 -1.82 116.67 124.72 3a2s s ASP 137 Ca -0.05 -0.53 -0.11 0.00 0.18 0.00 0.00 52.55 52.03 3a2s s ASP 137 Cb -0.15 -1.33 0.02 0.00 1.07 0.00 0.00 42.92 42.53 3a2s s ASP 137 CO 0.04 0.12 1.07 -0.94 1.18 0.00 0.00 175.17 176.64 3a2s s SER 138 N 0.53 5.27 1.04 0.27 1.04 -0.38 -0.17 113.70 121.29 3a2s s SER 138 Ca -0.15 1.44 -0.12 0.00 0.48 0.00 0.00 55.95 57.60 3a2s s SER 138 Cb -0.17 -2.30 0.22 0.00 0.10 0.00 0.00 66.02 63.87 3a2s s SER 138 CO 0.05 -1.49 1.07 -2.84 0.98 0.00 0.00 173.24 171.01 3a2s s PRO 139 N -5.13 0.04 -0.30 4.02 0.02 -1.26 -4.62 135.00 127.77 3a2s s PRO 139 Ca 0.58 0.79 -0.23 0.00 0.02 0.00 0.00 61.00 62.16 3a2s s PRO 139 Cb -0.13 -1.67 -0.00 0.00 0.02 0.00 0.00 34.50 32.71 3a2s s PRO 139 CO 0.54 -3.06 0.75 0.08 -0.33 0.00 0.00 177.00 174.99 3a2s s VAL 140 N -2.72 4.83 -0.20 3.83 1.01 -1.26 -4.51 120.40 121.38 3a2s s VAL 140 Ca 0.66 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.80 3a2s s VAL 140 Cb -0.21 -4.11 0.02 0.00 0.00 0.00 0.00 36.38 32.08 3a2s s VAL 140 CO 0.60 -0.20 -0.15 -0.36 0.00 0.00 0.00 175.10 174.99 3a2s s PHE 141 N 2.86 2.89 -1.45 5.22 0.08 0.17 -4.78 117.98 122.97 3a2s s PHE 141 Ca 0.31 -1.61 -0.02 0.00 0.12 0.00 0.00 56.93 55.73 3a2s s PHE 141 Cb -0.14 -1.97 0.00 0.00 -0.57 0.00 0.00 43.02 40.34 3a2s s PHE 141 CO 0.12 -0.77 0.26 0.00 -0.10 0.00 0.00 175.22 174.73 3a2s n ALA 142 N 4.63 -2.06 0.00 5.36 0.00 -1.26 -0.53 120.51 126.65 3a2s n ALA 142 Ca -0.19 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 52.90 3a2s n ALA 142 Cb 0.49 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3a2s n ALA 142 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a2s n GLY 143 N -2.24 3.09 3.83 0.00 0.00 -1.26 -4.95 105.19 103.66 3a2s n GLY 143 Ca -0.30 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 3a2s n GLY 143 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3a2s s PHE 144 N -1.64 3.64 0.10 1.61 0.08 0.31 -1.23 117.98 120.84 3a2s s PHE 144 Ca 0.00 0.79 -0.07 0.00 0.12 0.00 0.00 56.93 57.77 3a2s s PHE 144 Cb 0.00 -2.20 -0.01 0.00 -0.57 0.00 0.00 43.02 40.24 3a2s s PHE 144 CO 0.00 0.59 0.16 -1.54 -0.10 0.00 0.00 175.22 174.33 3a2s s SER 145 N -0.76 0.18 0.20 1.36 1.04 -0.41 0.44 113.70 115.74 3a2s s SER 145 Ca 0.20 -0.79 -0.15 0.00 0.48 0.00 0.00 55.95 55.69 3a2s s SER 145 Cb -0.15 0.33 0.02 0.00 0.10 0.00 0.00 66.02 66.32 3a2s s SER 145 CO 0.09 -0.74 0.47 -0.83 0.98 0.00 0.00 173.24 173.22 3a2s s GLY 146 N -2.90 0.08 0.02 7.32 0.00 -1.26 -0.28 107.32 110.30 3a2s s GLY 146 Ca 0.09 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.39 3a2s s GLY 146 CO -0.08 -0.41 -0.03 -0.56 0.00 0.00 0.00 173.10 172.02 3a2s s SER 147 N -2.91 0.31 0.01 1.64 0.01 -0.47 -1.25 113.70 111.03 3a2s s SER 147 Ca 0.12 -0.49 -0.00 0.00 1.31 0.00 0.00 55.95 56.89 3a2s s SER 147 Cb -0.00 0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.31 3a2s s SER 147 CO -0.01 -0.28 -0.01 0.54 0.41 0.00 0.00 173.24 173.90 3a2s s VAL 148 N -1.39 0.04 -0.11 3.43 0.11 -0.76 -1.52 120.40 120.20 3a2s s VAL 148 Ca -0.15 -0.33 -0.18 0.00 -2.93 0.00 0.00 61.98 58.39 3a2s s VAL 148 Cb -0.10 -0.11 0.04 0.00 -1.53 0.00 0.00 36.38 34.69 3a2s s VAL 148 CO -0.01 -0.18 0.45 -1.58 -3.33 0.00 0.00 175.10 170.45 3a2s s GLN 149 N -0.54 0.64 -0.01 1.54 0.74 0.73 -0.49 119.66 122.28 3a2s s GLN 149 Ca -0.06 0.37 0.00 0.00 0.05 0.00 0.00 55.36 55.72 3a2s s GLN 149 Cb -0.04 0.30 0.01 0.00 1.10 0.00 0.00 33.01 34.39 3a2s s GLN 149 CO -0.00 -0.13 0.01 -0.47 -0.55 0.00 0.00 175.29 174.14 3a2s s TYR 150 N -0.37 0.08 -0.32 1.67 6.14 -0.33 -0.36 117.35 123.86 3a2s s TYR 150 Ca -0.05 0.04 -0.06 0.00 0.64 0.00 0.00 57.07 57.64 3a2s s TYR 150 Cb -0.03 -0.15 0.03 0.00 0.42 0.00 0.00 41.96 42.22 3a2s s TYR 150 CO 0.03 -0.05 0.08 0.08 0.64 0.00 0.00 175.55 176.33 3a2s s VAL 151 N 0.51 3.70 0.69 3.14 1.01 -0.28 -1.76 120.40 127.40 3a2s s VAL 151 Ca -0.04 -1.04 -0.16 0.00 0.00 0.00 0.00 61.98 60.73 3a2s s VAL 151 Cb -0.06 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 33.29 3a2s s VAL 151 CO -0.01 -0.09 1.19 -2.84 0.00 0.00 0.00 175.10 173.35 3a2s s PRO 152 N 1.41 2.42 0.18 2.72 0.02 -1.26 -1.93 135.00 138.56 3a2s s PRO 152 Ca -0.01 1.70 -0.16 0.00 0.02 0.00 0.00 61.00 62.55 3a2s s PRO 152 Cb -0.19 -1.87 0.14 0.00 0.02 0.00 0.00 34.50 32.60 3a2s s PRO 152 CO 0.02 -1.60 1.65 -0.09 -0.33 0.00 0.00 177.00 176.65 3a2s h ARG 153 N -0.00 -0.02 0.00 5.54 2.43 -1.94 -0.81 114.38 119.58 3a2s h ARG 153 Ca -0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3a2s h ARG 153 Cb 1.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 3a2s h ARG 153 CO 0.52 -0.01 0.00 -0.25 -1.51 0.00 0.00 179.97 178.71 3a2s n ASP 154 N -5.36 0.00 -0.03 -3.80 8.00 -1.26 -1.45 116.55 112.65 3a2s n ASP 154 Ca 0.04 -0.14 -0.15 0.00 0.71 0.00 0.00 54.79 55.25 3a2s n ASP 154 Cb 0.26 -0.28 -0.14 0.00 -0.02 0.00 0.00 41.12 40.95 3a2s n ASP 154 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3a2s n ASN 155 N -1.28 1.38 0.27 -2.24 3.02 -0.73 -3.51 115.26 112.18 3a2s n ASN 155 Ca 0.14 0.24 0.16 0.00 -0.03 0.00 0.00 54.58 55.09 3a2s n ASN 155 Cb 0.22 -0.30 0.65 0.00 -0.61 0.00 0.00 39.78 39.73 3a2s n ASN 155 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a2s h ALA 156 N 0.54 1.01 -1.37 5.41 0.00 -0.92 -3.39 119.26 120.53 3a2s h ALA 156 Ca -0.39 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.28 3a2s h ALA 156 Cb 2.04 -0.00 -0.23 0.00 0.00 0.00 0.00 17.79 19.59 3a2s h ALA 156 CO 0.06 0.04 -0.56 1.21 0.00 0.00 0.00 179.25 179.99 3a2s s ASN 157 N -5.77 -0.54 0.09 0.00 2.47 -0.53 -4.66 114.94 106.00 3a2s s ASN 157 Ca 0.01 -1.38 -0.19 0.00 0.42 0.00 0.00 52.86 51.72 3a2s s ASN 157 Cb 0.09 1.38 -0.08 0.00 -1.45 0.00 0.00 41.25 41.19 3a2s s ASN 157 CO 0.56 -0.17 1.58 -0.78 -3.72 0.00 0.00 177.10 174.57 3a2s h ASP 158 N 6.50 0.34 -0.83 -4.21 1.82 -1.77 -3.20 116.42 115.07 3a2s h ASP 158 Ca 0.07 -0.23 0.21 0.00 -0.39 0.00 0.00 57.03 56.68 3a2s h ASP 158 Cb 1.11 -0.09 -0.13 0.00 0.68 0.00 0.00 39.33 40.90 3a2s h ASP 158 CO 0.13 0.49 0.20 0.58 -1.61 0.00 0.00 179.24 179.03 3a2s h VAL 159 N 0.18 0.38 -0.01 2.25 2.07 -1.96 -1.14 116.25 118.02 3a2s h VAL 159 Ca 0.07 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3a2s h VAL 159 Cb 0.28 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3a2s h VAL 159 CO 0.00 0.04 0.00 -0.67 0.02 0.00 0.00 177.57 176.96 3a2s n ASP 160 N -5.21 0.46 -0.55 0.57 2.03 -1.21 -4.59 116.55 108.05 3a2s n ASP 160 Ca 0.19 -1.20 0.43 0.00 0.52 0.00 0.00 54.79 54.72 3a2s n ASP 160 Cb 0.59 -0.00 0.68 0.00 -0.72 0.00 0.00 41.12 41.67 3a2s n ASP 160 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3a2s n LYS 161 N -0.62 -0.01 0.00 -0.67 5.02 -0.43 -1.64 118.16 119.80 3a2s n LYS 161 Ca 0.21 1.03 0.00 0.00 -2.02 0.00 0.00 58.31 57.53 3a2s n LYS 161 Cb 0.18 -2.22 0.00 0.00 -0.02 0.00 0.00 35.03 32.96 3a2s n LYS 161 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3a2s n TYR 162 N -4.02 0.00 -3.88 2.13 4.01 -1.26 -4.82 117.16 109.33 3a2s n TYR 162 Ca 0.38 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.82 3a2s n TYR 162 Cb 1.65 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 40.53 3a2s n TYR 162 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 3a2s s LYS 163 N -1.33 1.22 -1.46 -0.72 1.02 -0.65 -5.01 119.74 112.80 3a2s s LYS 163 Ca 0.00 -1.67 -0.10 0.00 0.02 0.00 0.00 55.97 54.22 3a2s s LYS 163 Cb 0.00 -2.68 0.04 0.00 -0.52 0.00 0.00 37.83 34.67 3a2s s LYS 163 CO 0.00 -1.00 2.43 0.72 -0.92 0.00 0.00 175.35 176.58 3a2s n HIS 164 N 4.29 2.90 0.03 3.18 8.25 -1.19 -4.45 115.22 128.23 3a2s n HIS 164 Ca 0.02 -2.95 -0.02 0.00 -0.26 0.00 0.00 57.72 54.51 3a2s n HIS 164 Cb 0.40 -2.30 -0.09 0.00 1.12 0.00 0.00 29.99 29.12 3a2s n HIS 164 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 3a2s h THR 165 N 3.39 0.58 -2.98 1.59 1.35 -1.95 -3.46 112.91 111.42 3a2s h THR 165 Ca 0.66 -2.14 -0.62 0.00 -0.55 0.00 0.00 66.41 63.77 3a2s h THR 165 Cb 0.46 2.12 -0.06 0.00 -1.73 0.00 0.00 68.15 68.94 3a2s h THR 165 CO 1.74 0.33 -0.27 -0.54 -0.25 0.00 0.00 175.52 176.52 3a2s s LYS 166 N -2.87 3.88 0.38 4.72 -0.14 -1.26 -5.06 119.74 119.39 3a2s s LYS 166 Ca -0.03 0.26 -0.25 0.00 -1.36 0.00 0.00 55.97 54.58 3a2s s LYS 166 Cb 0.09 -3.25 -0.12 0.00 -1.68 0.00 0.00 37.83 32.87 3a2s s LYS 166 CO 0.81 0.63 1.02 0.43 -0.76 0.00 0.00 175.35 177.48 3a2s n SER 167 N 2.16 1.34 -4.75 2.83 7.64 -1.26 -4.88 113.62 116.69 3a2s n SER 167 Ca -0.15 1.08 -0.41 0.00 1.01 0.00 0.00 58.87 60.40 3a2s n SER 167 Cb 0.53 -1.34 -0.01 0.00 -1.01 0.00 0.00 64.21 62.37 3a2s n SER 167 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3a2s n SER 168 N 0.73 3.91 -1.51 6.43 2.88 -1.26 -4.92 113.62 119.88 3a2s n SER 168 Ca 0.09 1.16 0.03 0.00 -1.33 0.00 0.00 58.87 58.82 3a2s n SER 168 Cb 0.37 -1.61 0.31 0.00 -0.75 0.00 0.00 64.21 62.54 3a2s n SER 168 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3a2s n ARG 169 N 1.92 3.66 -1.77 -1.46 3.00 -1.26 -3.55 116.66 117.20 3a2s n ARG 169 Ca 0.07 -3.04 -0.35 0.00 -0.01 0.00 0.00 57.85 54.52 3a2s n ARG 169 Cb 0.37 -2.07 0.06 0.00 0.00 0.00 0.00 32.46 30.82 3a2s n ARG 169 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 3a2s s GLU 170 N -2.90 2.64 0.06 5.56 -1.05 -1.26 -4.83 118.70 116.93 3a2s s GLU 170 Ca 0.50 1.77 -0.06 0.00 -0.15 0.00 0.00 54.97 57.02 3a2s s GLU 170 Cb 0.40 -1.89 -0.01 0.00 -0.44 0.00 0.00 34.13 32.18 3a2s s GLU 170 CO 0.12 -1.45 0.11 -1.54 0.95 0.00 0.00 175.26 173.45 3a2s s SER 171 N -1.85 0.22 -0.02 0.83 1.04 -0.81 -4.14 113.70 108.96 3a2s s SER 171 Ca 0.75 -0.68 0.08 0.00 0.48 0.00 0.00 55.95 56.58 3a2s s SER 171 Cb -0.29 0.27 -0.02 0.00 0.10 0.00 0.00 66.02 66.08 3a2s s SER 171 CO 0.39 -0.63 -0.25 -0.31 0.98 0.00 0.00 173.24 173.41 3a2s s TYR 172 N -3.46 2.27 -0.01 5.02 1.51 0.29 -1.13 117.35 121.84 3a2s s TYR 172 Ca 0.02 -0.43 0.02 0.00 -1.01 0.00 0.00 57.07 55.68 3a2s s TYR 172 Cb 0.04 -1.46 -0.00 0.00 -0.11 0.00 0.00 41.96 40.42 3a2s s TYR 172 CO -0.09 -0.03 -0.08 -1.01 -1.11 0.00 0.00 175.55 173.23 3a2s s HIS 173 N -0.60 0.82 0.03 2.71 3.76 0.52 -0.90 115.29 121.62 3a2s s HIS 173 Ca 0.10 -0.17 -0.15 0.00 -0.15 0.00 0.00 55.06 54.68 3a2s s HIS 173 Cb -0.10 -0.56 0.03 0.00 1.11 0.00 0.00 32.58 33.06 3a2s s HIS 173 CO -0.01 -0.05 0.34 0.00 -0.85 0.00 0.00 174.74 174.17 3a2s s ALA 174 N -0.02 -0.81 0.06 -1.40 0.00 -0.72 -0.19 121.76 118.68 3a2s s ALA 174 Ca 0.00 0.19 -0.19 0.00 0.00 0.00 0.00 51.96 51.97 3a2s s ALA 174 Cb -0.06 0.25 0.04 0.00 0.00 0.00 0.00 23.12 23.36 3a2s s ALA 174 CO -0.00 -0.38 0.45 0.20 0.00 0.00 0.00 175.76 176.03 3a2s s GLY 175 N -1.83 -0.33 -0.05 0.00 0.00 -0.57 -0.87 107.32 103.67 3a2s s GLY 175 Ca -0.07 0.34 -0.02 0.00 0.00 0.00 0.00 44.72 44.96 3a2s s GLY 175 CO -0.01 0.06 0.11 -2.27 0.00 0.00 0.00 173.10 170.99 3a2s s LEU 176 N -2.16 0.99 -0.00 0.66 2.96 -0.09 -1.37 118.68 119.66 3a2s s LEU 176 Ca -0.04 0.21 0.05 0.00 -0.22 0.00 0.00 54.13 54.14 3a2s s LEU 176 Cb -0.00 0.25 -0.01 0.00 0.50 0.00 0.00 46.19 46.92 3a2s s LEU 176 CO -0.04 -0.12 -0.15 -0.75 -1.32 0.00 0.00 176.35 173.96 3a2s s LYS 177 N 0.93 1.19 -0.04 1.98 2.20 0.62 -0.89 119.74 125.72 3a2s s LYS 177 Ca -0.07 -0.60 0.03 0.00 -0.36 0.00 0.00 55.97 54.98 3a2s s LYS 177 Cb -0.10 -1.16 0.00 0.00 -1.51 0.00 0.00 37.83 35.06 3a2s s LYS 177 CO -0.04 0.31 -0.14 -0.47 -0.36 0.00 0.00 175.35 174.65 3a2s s TYR 178 N -0.46 1.50 -0.03 4.03 5.04 0.05 -1.29 117.35 126.20 3a2s s TYR 178 Ca 0.05 -0.45 0.02 0.00 -2.44 0.00 0.00 57.07 54.25 3a2s s TYR 178 Cb -0.06 -1.04 0.01 0.00 0.35 0.00 0.00 41.96 41.22 3a2s s TYR 178 CO -0.00 -0.17 -0.07 -1.21 -1.34 0.00 0.00 175.55 172.75 3a2s s GLU 179 N 0.19 0.85 -0.18 4.97 2.02 -0.37 -1.63 118.70 124.56 3a2s s GLU 179 Ca -0.06 -0.22 -0.08 0.00 0.02 0.00 0.00 54.97 54.63 3a2s s GLU 179 Cb -0.12 -0.81 0.07 0.00 0.10 0.00 0.00 34.13 33.37 3a2s s GLU 179 CO 0.02 0.04 0.40 1.21 0.02 0.00 0.00 175.26 176.96 3a2s s ASN 180 N 0.40 -0.34 -1.28 -0.19 3.84 -0.14 -4.50 114.94 112.72 3a2s s ASN 180 Ca -0.06 0.91 -0.02 0.00 0.21 0.00 0.00 52.86 53.90 3a2s s ASN 180 Cb -0.10 1.01 0.00 0.00 -0.55 0.00 0.00 41.25 41.61 3a2s s ASN 180 CO 0.00 -0.21 0.03 0.00 -2.79 0.00 0.00 177.10 174.13 3a2s n ALA 181 N 4.81 -1.88 0.00 1.71 0.00 -1.26 0.80 120.51 124.70 3a2s n ALA 181 Ca -0.16 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 52.92 3a2s n ALA 181 Cb 0.52 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.23 3a2s n ALA 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a2s n GLY 182 N -2.31 2.81 3.76 0.00 0.00 -1.26 -4.98 105.19 103.21 3a2s n GLY 182 Ca -0.27 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 3a2s n GLY 182 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3a2s s PHE 183 N -1.77 3.70 -0.01 1.61 0.40 0.24 -0.81 117.98 121.34 3a2s s PHE 183 Ca 0.00 1.78 -0.05 0.00 -0.60 0.00 0.00 56.93 58.06 3a2s s PHE 183 Cb 0.00 -3.14 -0.00 0.00 0.51 0.00 0.00 43.02 40.39 3a2s s PHE 183 CO 0.00 -0.17 0.10 -0.59 0.70 0.00 0.00 175.22 175.26 3a2s s PHE 184 N -1.24 0.04 -0.00 0.36 -0.71 -0.45 -0.97 117.98 115.00 3a2s s PHE 184 Ca 0.45 -0.08 -0.00 0.00 -1.04 0.00 0.00 56.93 56.25 3a2s s PHE 184 Cb -0.28 -0.05 0.00 0.00 -1.21 0.00 0.00 43.02 41.48 3a2s s PHE 184 CO 0.36 -0.20 0.01 0.20 -1.34 0.00 0.00 175.22 174.25 3a2s s GLY 185 N -0.96 -0.00 -0.03 1.99 0.00 -0.64 -0.73 107.32 106.94 3a2s s GLY 185 Ca -0.11 0.04 -0.07 0.00 0.00 0.00 0.00 44.72 44.58 3a2s s GLY 185 CO 0.01 0.05 0.17 -0.86 0.00 0.00 0.00 173.10 172.47 3a2s s GLN 186 N 0.05 0.38 -0.09 2.90 -2.07 0.91 -0.77 119.66 120.96 3a2s s GLN 186 Ca -0.00 -0.11 -0.02 0.00 -1.82 0.00 0.00 55.36 53.41 3a2s s GLN 186 Cb -0.01 0.16 -0.03 0.00 -1.09 0.00 0.00 33.01 32.05 3a2s s GLN 186 CO -0.00 -0.08 -0.02 -0.47 -1.32 0.00 0.00 175.29 173.40 3a2s s TYR 187 N -0.75 3.09 -0.02 9.60 5.04 -0.07 -0.96 117.35 133.29 3a2s s TYR 187 Ca -0.08 0.08 -0.03 0.00 -2.44 0.00 0.00 57.07 54.60 3a2s s TYR 187 Cb -0.05 -1.81 0.00 0.00 0.35 0.00 0.00 41.96 40.46 3a2s s TYR 187 CO 0.01 0.36 0.07 0.00 -1.34 0.00 0.00 175.55 174.65 3a2s s ALA 188 N -0.65 -0.17 0.34 3.97 0.00 -0.02 -0.92 121.76 124.31 3a2s s ALA 188 Ca 0.10 0.10 -0.15 0.00 0.00 0.00 0.00 51.96 52.01 3a2s s ALA 188 Cb -0.12 -0.07 0.03 0.00 0.00 0.00 0.00 23.12 22.96 3a2s s ALA 188 CO 0.02 -0.07 0.69 0.20 0.00 0.00 0.00 175.76 176.60 3a2s s GLY 189 N -0.27 0.46 0.01 0.00 0.00 -0.05 -0.45 107.32 107.02 3a2s s GLY 189 Ca -0.03 -0.78 -0.15 0.00 0.00 0.00 0.00 44.72 43.75 3a2s s GLY 189 CO 0.00 -0.40 0.33 -1.35 0.00 0.00 0.00 173.10 171.67 3a2s s SER 190 N -3.06 -0.19 -0.01 1.64 1.04 -0.59 -1.75 113.70 110.79 3a2s s SER 190 Ca 0.18 0.00 0.02 0.00 0.48 0.00 0.00 55.95 56.63 3a2s s SER 190 Cb -0.04 0.34 -0.00 0.00 0.10 0.00 0.00 66.02 66.42 3a2s s SER 190 CO 0.12 -0.52 -0.06 0.12 0.98 0.00 0.00 173.24 173.87 3a2s s PHE 191 N -1.83 0.61 -0.06 5.02 5.36 -0.08 -1.64 117.98 125.37 3a2s s PHE 191 Ca -0.10 -0.12 -0.02 0.00 -0.96 0.00 0.00 56.93 55.73 3a2s s PHE 191 Cb -0.03 -0.42 0.03 0.00 -0.34 0.00 0.00 43.02 42.25 3a2s s PHE 191 CO 0.01 -0.04 0.03 0.00 -1.46 0.00 0.00 175.22 173.77 3a2s s ALA 192 N 0.01 0.49 0.26 11.12 0.00 0.04 -0.55 121.76 133.13 3a2s s ALA 192 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.96 3a2s s ALA 192 Cb -0.04 -0.69 0.43 0.00 0.00 0.00 0.00 23.12 22.82 3a2s s ALA 192 CO -0.00 -0.47 1.85 -0.22 0.00 0.00 0.00 175.76 176.91 3a2s h LYS 193 N 8.38 0.97 -5.29 0.00 1.63 -1.85 0.49 116.57 120.89 3a2s h LYS 193 Ca -0.16 -0.06 -0.40 0.00 -0.85 0.00 0.00 60.65 59.18 3a2s h LYS 193 Cb 1.12 -0.22 -0.21 0.00 -0.60 0.00 0.00 32.23 32.33 3a2s h LYS 193 CO 0.21 0.64 -0.77 0.71 -3.45 0.00 0.00 179.45 176.79 3a2s s TYR 194 N -6.02 1.21 0.34 1.91 1.51 -1.23 -0.01 117.35 115.06 3a2s s TYR 194 Ca -0.12 -0.50 -0.14 0.00 -1.01 0.00 0.00 57.07 55.30 3a2s s TYR 194 Cb 0.20 -0.67 0.06 0.00 -0.11 0.00 0.00 41.96 41.44 3a2s s TYR 194 CO 0.80 0.06 0.74 0.00 -1.11 0.00 0.00 175.55 176.04 3a2s n ALA 195 N 1.10 -1.69 -3.60 3.71 0.00 -0.62 -4.41 120.51 115.00 3a2s n ALA 195 Ca -0.20 -1.12 -0.14 0.00 0.00 0.00 0.00 53.44 51.99 3a2s n ALA 195 Cb 0.55 0.87 -0.15 0.00 0.00 0.00 0.00 19.45 20.72 3a2s n ALA 195 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3a2s s ASP 196 N -2.90 -0.06 0.01 0.00 1.11 -1.26 -0.44 116.67 113.13 3a2s s ASP 196 Ca 0.15 0.21 0.08 0.00 0.18 0.00 0.00 52.55 53.17 3a2s s ASP 196 Cb -0.04 0.12 -0.03 0.00 1.07 0.00 0.00 42.92 44.05 3a2s s ASP 196 CO 0.10 -0.12 -0.24 -0.76 1.18 0.00 0.00 175.17 175.33 3a2s s LEU 197 N 0.93 2.25 0.88 1.23 1.02 0.12 -1.30 118.68 123.81 3a2s s LEU 197 Ca -0.07 -0.47 -0.11 0.00 0.02 0.00 0.00 54.13 53.49 3a2s s LEU 197 Cb -0.10 -1.37 0.17 0.00 0.02 0.00 0.00 46.19 44.91 3a2s s LEU 197 CO -0.04 0.29 1.22 0.54 0.02 0.00 0.00 176.35 178.38 3a2s s ASN 198 N -0.95 3.54 0.32 2.29 2.20 -0.39 -0.11 114.94 121.84 3a2s s ASN 198 Ca 0.11 0.12 0.25 0.00 -0.94 0.00 0.00 52.86 52.40 3a2s s ASN 198 Cb -0.10 -0.28 1.12 0.00 -2.00 0.00 0.00 41.25 39.99 3a2s s ASN 198 CO 0.01 -2.44 1.75 0.71 -2.94 0.00 0.00 177.10 174.19 3a2s h THR 199 N -1.29 0.00 -0.12 0.54 1.35 -1.90 0.22 112.91 111.71 3a2s h THR 199 Ca -0.42 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 3a2s h THR 199 Cb 1.25 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 3a2s h THR 199 CO 0.40 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 176.14 3a2s n ASP 200 N -2.35 0.79 -3.03 5.36 8.00 -1.26 -4.92 116.55 119.14 3a2s n ASP 200 Ca 0.01 -1.81 -0.22 0.00 0.71 0.00 0.00 54.79 53.48 3a2s n ASP 200 Cb 0.18 -0.08 0.03 0.00 -0.02 0.00 0.00 41.12 41.23 3a2s n ASP 200 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a2s n ALA 201 N -0.15 -0.97 -2.87 2.24 0.00 0.06 -5.02 120.51 113.80 3a2s n ALA 201 Ca 0.09 0.26 -0.35 0.00 0.00 0.00 0.00 53.44 53.45 3a2s n ALA 201 Cb 0.15 -3.69 -0.06 0.00 0.00 0.00 0.00 19.45 15.85 3a2s n ALA 201 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3a2s s GLU 202 N -5.71 3.38 0.11 0.00 2.02 -1.25 -4.75 118.70 112.50 3a2s s GLU 202 Ca 0.30 -0.26 -0.31 0.00 0.02 0.00 0.00 54.97 54.71 3a2s s GLU 202 Cb -0.14 -3.10 -0.09 0.00 0.10 0.00 0.00 34.13 30.91 3a2s s GLU 202 CO 0.37 0.72 1.52 1.03 0.02 0.00 0.00 175.26 178.92 3a2s s ARG 203 N -1.50 4.25 0.33 1.61 0.52 -1.26 -1.26 118.95 121.64 3a2s s ARG 203 Ca 0.21 2.23 0.08 0.00 -0.52 0.00 0.00 55.73 57.73 3a2s s ARG 203 Cb -0.12 -3.34 -0.06 0.00 0.52 0.00 0.00 34.95 31.94 3a2s s ARG 203 CO 0.12 -0.59 -0.06 0.14 0.02 0.00 0.00 175.30 174.93 3a2s s VAL 204 N 1.65 1.94 0.49 3.52 -7.23 -0.42 -4.90 120.40 115.45 3a2s s VAL 204 Ca 0.69 -2.13 -0.23 0.00 -1.81 0.00 0.00 61.98 58.50 3a2s s VAL 204 Cb -0.40 -2.65 -0.06 0.00 0.56 0.00 0.00 36.38 33.83 3a2s s VAL 204 CO 0.31 -0.18 1.27 0.00 -0.31 0.00 0.00 175.10 176.18 3a2s s ALA 205 N -2.80 2.94 0.38 1.32 0.00 -1.26 -4.41 121.76 117.93 3a2s s ALA 205 Ca 0.32 1.14 -0.26 0.00 0.00 0.00 0.00 51.96 53.17 3a2s s ALA 205 Cb 0.05 -3.48 -0.11 0.00 0.00 0.00 0.00 23.12 19.58 3a2s s ALA 205 CO 0.15 -0.99 1.16 0.28 0.00 0.00 0.00 175.76 176.36 3a2s n VAL 206 N -0.65 2.31 -0.90 0.00 0.31 -1.26 -2.17 118.33 115.97 3a2s n VAL 206 Ca 0.08 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 3a2s n VAL 206 Cb 0.46 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 3a2s n VAL 206 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3a2s n ASN 207 N 0.57 -1.72 -4.74 4.52 3.02 -1.26 -5.00 115.26 110.65 3a2s n ASN 207 Ca 0.07 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.25 3a2s n ASN 207 Cb 0.38 -1.16 0.06 0.00 -0.61 0.00 0.00 39.78 38.44 3a2s n ASN 207 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3a2s n THR 208 N -2.27 4.50 -1.80 3.41 -1.04 -0.92 -4.94 114.28 111.21 3a2s n THR 208 Ca 0.00 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.09 3a2s n THR 208 Cb 0.07 -1.58 -0.02 0.00 -1.82 0.00 0.00 70.33 66.98 3a2s n THR 208 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3a2s s ALA 209 N -1.34 3.81 -1.63 2.41 0.00 -1.26 -2.28 121.76 121.47 3a2s s ALA 209 Ca 0.78 1.53 0.00 0.00 0.00 0.00 0.00 51.96 54.27 3a2s s ALA 209 Cb -0.40 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.07 3a2s s ALA 209 CO 0.44 -0.92 0.00 0.09 0.00 0.00 0.00 175.76 175.37 3a2s n ASN 210 N 3.01 -5.63 -4.75 0.00 4.13 -1.26 -4.98 115.26 105.78 3a2s n ASN 210 Ca 0.11 0.38 -0.35 0.00 1.68 0.00 0.00 54.58 56.40 3a2s n ASN 210 Cb 0.37 -4.48 0.04 0.00 -1.54 0.00 0.00 39.78 34.18 3a2s n ASN 210 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3a2s s ALA 211 N -2.31 2.47 -0.13 5.41 0.00 -0.97 -4.65 121.76 121.58 3a2s s ALA 211 Ca 0.00 0.89 0.03 0.00 0.00 0.00 0.00 51.96 52.88 3a2s s ALA 211 Cb 0.00 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.70 3a2s s ALA 211 CO 0.00 -1.27 -0.22 -1.01 0.00 0.00 0.00 175.76 173.26 3a2s s HIS 212 N -1.80 2.59 0.23 0.00 3.76 0.84 -4.93 115.29 115.97 3a2s s HIS 212 Ca 0.75 -1.26 -0.30 0.00 -0.15 0.00 0.00 55.06 54.10 3a2s s HIS 212 Cb -0.28 -1.76 -0.09 0.00 1.11 0.00 0.00 32.58 31.56 3a2s s HIS 212 CO 0.36 -0.57 0.96 -2.14 -0.85 0.00 0.00 174.74 172.50 3a2s s PRO 213 N 0.73 4.81 0.15 8.40 0.02 -1.26 0.13 135.00 147.99 3a2s s PRO 213 Ca -0.09 1.52 0.03 0.00 0.02 0.00 0.00 61.00 62.48 3a2s s PRO 213 Cb -0.16 -3.28 -0.05 0.00 0.02 0.00 0.00 34.50 31.03 3a2s s PRO 213 CO 0.00 0.44 -0.06 0.14 -0.33 0.00 0.00 177.00 177.19 3a2s s VAL 214 N -1.00 0.97 0.11 3.83 -7.23 0.41 -1.21 120.40 116.28 3a2s s VAL 214 Ca 0.42 -2.02 0.07 0.00 -1.81 0.00 0.00 61.98 58.64 3a2s s VAL 214 Cb -0.26 -1.92 -0.03 0.00 0.56 0.00 0.00 36.38 34.72 3a2s s VAL 214 CO 0.33 -0.68 -0.17 -0.75 -0.31 0.00 0.00 175.10 173.52 3a2s s LYS 215 N -3.81 1.03 -1.25 4.82 2.20 0.30 -1.59 119.74 121.44 3a2s s LYS 215 Ca 0.18 -1.15 -0.03 0.00 -0.36 0.00 0.00 55.97 54.61 3a2s s LYS 215 Cb 0.04 -1.11 -0.01 0.00 -1.51 0.00 0.00 37.83 35.24 3a2s s LYS 215 CO 0.01 0.24 0.75 -0.25 -0.36 0.00 0.00 175.35 175.74 3a2s n ASP 216 N 0.92 -2.29 -4.60 1.43 8.00 0.99 -0.53 116.55 120.46 3a2s n ASP 216 Ca -0.18 -0.83 -0.43 0.00 0.71 0.00 0.00 54.79 54.06 3a2s n ASP 216 Cb 0.55 -4.13 -0.03 0.00 -0.02 0.00 0.00 41.12 37.49 3a2s n ASP 216 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3a2s s TYR 217 N -3.60 2.91 0.03 1.24 5.04 0.16 -4.19 117.35 118.95 3a2s s TYR 217 Ca 0.11 0.68 0.07 0.00 -2.44 0.00 0.00 57.07 55.50 3a2s s TYR 217 Cb -0.03 -4.13 -0.02 0.00 0.35 0.00 0.00 41.96 38.13 3a2s s TYR 217 CO 0.81 -1.11 -0.21 1.14 -1.34 0.00 0.00 175.55 174.84 3a2s s GLN 218 N 4.05 1.45 -0.04 4.97 -2.07 -0.51 -0.78 119.66 126.72 3a2s s GLN 218 Ca 0.43 -0.90 0.01 0.00 -1.82 0.00 0.00 55.36 53.08 3a2s s GLN 218 Cb -0.09 -1.53 0.02 0.00 -1.09 0.00 0.00 33.01 30.33 3a2s s GLN 218 CO 0.27 0.40 -0.03 0.08 -1.32 0.00 0.00 175.29 174.69 3a2s s VAL 219 N -0.74 0.39 -0.03 3.63 1.01 -0.65 -1.60 120.40 122.41 3a2s s VAL 219 Ca 0.08 -0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.07 3a2s s VAL 219 Cb -0.09 -0.45 -0.01 0.00 0.00 0.00 0.00 36.38 35.84 3a2s s VAL 219 CO 0.01 0.20 -0.17 -1.00 0.00 0.00 0.00 175.10 174.14 3a2s s HIS 220 N 1.00 1.58 -0.01 5.22 3.76 0.59 -1.54 115.29 125.87 3a2s s HIS 220 Ca -0.10 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.43 3a2s s HIS 220 Cb -0.14 -1.04 0.02 0.00 1.11 0.00 0.00 32.58 32.52 3a2s s HIS 220 CO -0.01 -0.09 0.01 0.50 -0.85 0.00 0.00 174.74 174.30 3a2s s ARG 221 N -0.16 0.04 -0.05 1.40 3.52 0.41 -0.47 118.95 123.64 3a2s s ARG 221 Ca 0.01 0.09 0.05 0.00 -0.13 0.00 0.00 55.73 55.75 3a2s s ARG 221 Cb -0.09 -0.20 -0.01 0.00 -1.56 0.00 0.00 34.95 33.09 3a2s s ARG 221 CO 0.01 -0.09 -0.21 0.08 -0.81 0.00 0.00 175.30 174.28 3a2s s VAL 222 N 0.63 1.69 -0.02 7.11 1.01 -0.15 -0.84 120.40 129.83 3a2s s VAL 222 Ca -0.05 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.08 3a2s s VAL 222 Cb -0.08 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.86 3a2s s VAL 222 CO -0.02 0.48 -0.08 -0.69 0.00 0.00 0.00 175.10 174.79 3a2s s VAL 223 N -0.06 0.70 0.02 2.92 1.01 -0.14 -0.95 120.40 123.90 3a2s s VAL 223 Ca -0.03 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 3a2s s VAL 223 Cb -0.12 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 3a2s s VAL 223 CO 0.03 0.22 0.11 0.00 0.00 0.00 0.00 175.10 175.46 3a2s s ALA 224 N 0.23 -0.17 0.00 5.51 0.00 -0.18 -0.06 121.76 127.09 3a2s s ALA 224 Ca -0.03 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.56 3a2s s ALA 224 Cb -0.08 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.22 3a2s s ALA 224 CO 0.00 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.91 3a2s n GLY 225 N 1.11 -0.69 3.06 0.00 0.00 0.09 -0.81 105.19 107.96 3a2s n GLY 225 Ca -0.21 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 3a2s n GLY 225 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3a2s s TYR 226 N -4.00 -0.26 -0.39 1.61 5.04 -0.10 -1.35 117.35 117.90 3a2s s TYR 226 Ca 0.00 0.64 0.03 0.00 -2.44 0.00 0.00 57.07 55.30 3a2s s TYR 226 Cb 0.00 0.05 0.16 0.00 0.35 0.00 0.00 41.96 42.52 3a2s s TYR 226 CO 0.00 -0.16 0.36 0.34 -1.34 0.00 0.00 175.55 174.74 3a2s s ASP 227 N 0.66 1.44 -0.13 4.32 2.15 0.01 -0.56 116.67 124.56 3a2s s ASP 227 Ca -0.05 -2.19 -0.34 0.00 0.43 0.00 0.00 52.55 50.41 3a2s s ASP 227 Cb -0.06 0.16 0.13 0.00 -0.30 0.00 0.00 42.92 42.85 3a2s s ASP 227 CO -0.04 -0.23 1.24 0.00 -0.17 0.00 0.00 175.17 175.98 3a2s s ALA 228 N 0.88 -2.13 -1.44 3.66 0.00 -0.86 -4.66 121.76 117.22 3a2s s ALA 228 Ca 0.23 1.29 -0.07 0.00 0.00 0.00 0.00 51.96 53.41 3a2s s ALA 228 Cb -0.10 0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.11 3a2s s ALA 228 CO -0.07 -0.75 0.80 0.09 0.00 0.00 0.00 175.76 175.83 3a2s n ASN 229 N -0.23 -2.80 0.00 0.00 3.02 -1.26 -1.58 115.26 112.42 3a2s n ASN 229 Ca -0.03 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 3a2s n ASN 229 Cb 0.60 -3.80 0.00 0.00 -0.61 0.00 0.00 39.78 35.96 3a2s n ASN 229 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3a2s n ASP 230 N -2.93 0.00 -4.64 6.41 8.00 -1.26 -4.98 116.55 117.15 3a2s n ASP 230 Ca -0.13 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.02 3a2s n ASP 230 Cb 0.60 -0.86 -0.10 0.00 -0.02 0.00 0.00 41.12 40.74 3a2s n ASP 230 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3a2s s LEU 231 N 0.00 3.56 -0.08 0.64 2.96 -0.61 -0.01 118.68 125.14 3a2s s LEU 231 Ca 0.00 0.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.01 3a2s s LEU 231 Cb 0.00 -1.84 0.02 0.00 0.50 0.00 0.00 46.19 44.87 3a2s s LEU 231 CO 0.00 0.30 -0.11 -0.47 -1.32 0.00 0.00 176.35 174.76 3a2s s TYR 232 N -0.43 1.47 -0.02 5.38 5.04 -0.01 -2.02 117.35 126.76 3a2s s TYR 232 Ca 0.08 -0.61 0.01 0.00 -2.44 0.00 0.00 57.07 54.10 3a2s s TYR 232 Cb -0.12 -1.12 0.01 0.00 0.35 0.00 0.00 41.96 41.08 3a2s s TYR 232 CO 0.02 -0.36 -0.01 0.54 -1.34 0.00 0.00 175.55 174.40 3a2s s VAL 233 N 1.03 0.16 -0.01 3.14 0.11 0.28 -0.74 120.40 124.37 3a2s s VAL 233 Ca -0.08 0.01 0.01 0.00 -2.93 0.00 0.00 61.98 58.99 3a2s s VAL 233 Cb -0.15 -0.21 0.01 0.00 -1.53 0.00 0.00 36.38 34.51 3a2s s VAL 233 CO -0.01 0.10 -0.01 -0.55 -3.33 0.00 0.00 175.10 171.30 3a2s s SER 234 N 0.52 0.32 -0.04 3.54 0.15 0.22 -0.92 113.70 117.48 3a2s s SER 234 Ca -0.05 -0.03 0.03 0.00 0.70 0.00 0.00 55.95 56.60 3a2s s SER 234 Cb -0.08 -0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 3a2s s SER 234 CO -0.01 -0.02 -0.13 0.68 1.20 0.00 0.00 173.24 174.95 3a2s s VAL 235 N 0.36 1.16 -0.01 4.45 -7.23 0.01 -0.35 120.40 118.80 3a2s s VAL 235 Ca -0.03 -0.55 0.04 0.00 -1.81 0.00 0.00 61.98 59.63 3a2s s VAL 235 Cb -0.06 -1.02 -0.01 0.00 0.56 0.00 0.00 36.38 35.85 3a2s s VAL 235 CO -0.01 0.35 -0.12 0.00 -0.31 0.00 0.00 175.10 175.01 3a2s s ALA 236 N 0.26 0.99 0.01 1.32 0.00 0.20 -1.01 121.76 123.53 3a2s s ALA 236 Ca -0.07 -0.53 0.08 0.00 0.00 0.00 0.00 51.96 51.45 3a2s s ALA 236 Cb -0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 3a2s s ALA 236 CO 0.02 0.24 -0.25 0.20 0.00 0.00 0.00 175.76 175.97 3a2s s GLY 237 N -0.33 1.28 -0.00 0.00 0.00 -0.12 -0.86 107.32 107.29 3a2s s GLY 237 Ca 0.04 -1.15 0.01 0.00 0.00 0.00 0.00 44.72 43.62 3a2s s GLY 237 CO -0.00 -1.00 -0.02 1.62 0.00 0.00 0.00 173.10 173.70 3a2s s GLN 238 N -0.88 0.15 -0.04 2.90 0.74 0.69 -0.98 119.66 122.24 3a2s s GLN 238 Ca 0.10 -0.08 0.01 0.00 0.05 0.00 0.00 55.36 55.45 3a2s s GLN 238 Cb -0.10 -0.14 0.02 0.00 1.10 0.00 0.00 33.01 33.89 3a2s s GLN 238 CO 0.00 0.04 -0.05 -0.47 -0.55 0.00 0.00 175.29 174.26 3a2s s TYR 239 N -0.07 0.80 -0.04 1.67 5.04 0.38 -0.99 117.35 124.15 3a2s s TYR 239 Ca 0.00 -0.23 0.04 0.00 -2.44 0.00 0.00 57.07 54.45 3a2s s TYR 239 Cb -0.01 -0.69 -0.00 0.00 0.35 0.00 0.00 41.96 41.61 3a2s s TYR 239 CO -0.00 -0.19 -0.17 -1.21 -1.34 0.00 0.00 175.55 172.64 3a2s s GLU 240 N 0.84 1.77 -0.08 4.97 2.02 -0.47 -0.30 118.70 127.44 3a2s s GLU 240 Ca -0.12 -0.60 -0.13 0.00 0.02 0.00 0.00 54.97 54.15 3a2s s GLU 240 Cb -0.14 -1.53 0.03 0.00 0.10 0.00 0.00 34.13 32.58 3a2s s GLU 240 CO 0.01 0.23 0.32 0.00 0.02 0.00 0.00 175.26 175.84 3a2s s ALA 241 N 0.07 -0.80 0.17 5.21 0.00 -0.63 -1.02 121.76 124.76 3a2s s ALA 241 Ca -0.04 0.70 -0.19 0.00 0.00 0.00 0.00 51.96 52.42 3a2s s ALA 241 Cb -0.12 -0.31 0.04 0.00 0.00 0.00 0.00 23.12 22.74 3a2s s ALA 241 CO 0.02 -0.19 0.53 0.00 0.00 0.00 0.00 175.76 176.12 3a2s s ALA 242 N -0.38 -1.19 -0.12 0.00 0.00 -0.06 -1.43 121.76 118.58 3a2s s ALA 242 Ca -0.05 0.07 -0.05 0.00 0.00 0.00 0.00 51.96 51.92 3a2s s ALA 242 Cb -0.03 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.88 3a2s s ALA 242 CO 0.02 -0.77 0.08 0.15 0.00 0.00 0.00 175.76 175.23 3a2s s LYS 243 N -3.82 3.40 0.11 0.00 1.02 0.30 0.61 119.74 121.37 3a2s s LYS 243 Ca 0.05 -0.27 -0.35 0.00 0.02 0.00 0.00 55.97 55.42 3a2s s LYS 243 Cb -0.01 -3.06 -0.15 0.00 -0.52 0.00 0.00 37.83 34.09 3a2s s LYS 243 CO -0.08 0.65 1.48 -1.71 -0.92 0.00 0.00 175.35 174.77 3a2s n ASN 244 N 2.36 2.40 -0.37 2.83 2.85 0.23 -0.54 115.26 125.02 3a2s n ASN 244 Ca -0.19 1.10 0.06 0.00 -0.11 0.00 0.00 54.58 55.44 3a2s n ASN 244 Cb 0.54 -1.31 0.11 0.00 1.24 0.00 0.00 39.78 40.36 3a2s n ASN 244 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 3a2s n ASN 245 N 3.13 1.54 -4.73 1.20 5.15 -0.35 -1.02 115.26 120.19 3a2s n ASN 245 Ca 0.18 -2.85 -0.38 0.00 -0.60 0.00 0.00 54.58 50.93 3a2s n ASN 245 Cb 0.24 -0.38 -0.06 0.00 -0.53 0.00 0.00 39.78 39.05 3a2s n ASN 245 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 3a2s s GLU 246 N -1.97 4.33 -0.04 1.20 2.12 -1.22 -4.74 118.70 118.37 3a2s s GLU 246 Ca 0.25 0.54 -0.29 0.00 0.36 0.00 0.00 54.97 55.82 3a2s s GLU 246 Cb 0.23 -3.41 -0.07 0.00 0.26 0.00 0.00 34.13 31.13 3a2s s GLU 246 CO -0.01 0.21 1.95 0.08 -0.54 0.00 0.00 175.26 176.95 3a2s s VAL 247 N 0.44 3.14 -5.00 3.70 1.01 -1.26 -3.99 120.40 118.43 3a2s s VAL 247 Ca 0.28 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.42 3a2s s VAL 247 Cb -0.16 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.10 3a2s s VAL 247 CO 0.12 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.80 3a2s n GLY 248 N 4.74 -0.98 0.37 4.51 0.00 -1.26 -4.99 105.19 107.58 3a2s n GLY 248 Ca 0.21 -1.36 0.10 0.00 0.00 0.00 0.00 46.02 44.98 3a2s n GLY 248 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3a2s h SER 249 N 0.00 0.77 -0.61 1.61 0.87 -2.06 -3.08 113.55 111.05 3a2s h SER 249 Ca 0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 3a2s h SER 249 Cb 0.00 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 3a2s h SER 249 CO 0.00 0.40 0.00 2.30 -0.53 0.00 0.00 176.83 179.00 3a2s n ILE 250 N -4.58 0.85 -1.68 2.23 -6.64 -1.26 -4.99 119.36 103.29 3a2s n ILE 250 Ca 0.18 -0.93 -0.44 0.00 -1.77 0.00 0.00 62.75 59.79 3a2s n ILE 250 Cb 0.41 0.65 -0.02 0.00 -1.44 0.00 0.00 39.64 39.24 3a2s n ILE 250 CO 0.00 0.00 0.00 1.17 -1.77 0.00 0.00 176.55 175.95 3a2s n LYS 251 N 1.54 2.06 0.00 6.28 4.81 -1.17 -2.16 118.16 129.52 3a2s n LYS 251 Ca 0.22 0.73 0.00 0.00 -0.87 0.00 0.00 58.31 58.39 3a2s n LYS 251 Cb 0.61 -2.35 0.00 0.00 0.02 0.00 0.00 35.03 33.31 3a2s n LYS 251 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3a2s n GLY 252 N 1.60 2.68 3.81 3.14 0.00 -0.19 -4.97 105.19 111.26 3a2s n GLY 252 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 3a2s n GLY 252 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a2s s LYS 253 N -0.67 3.94 -0.05 1.61 1.02 -0.92 -4.56 119.74 120.11 3a2s s LYS 253 Ca 0.00 1.22 -0.20 0.00 0.02 0.00 0.00 55.97 57.02 3a2s s LYS 253 Cb 0.00 -2.12 -0.05 0.00 -0.52 0.00 0.00 37.83 35.14 3a2s s LYS 253 CO 0.00 -0.30 0.55 0.15 -0.92 0.00 0.00 175.35 174.83 3a2s s LYS 254 N -3.35 4.31 -0.07 1.68 -0.14 -1.26 0.74 119.74 121.65 3a2s s LYS 254 Ca 0.64 0.63 -0.03 0.00 -1.36 0.00 0.00 55.97 55.84 3a2s s LYS 254 Cb -0.13 -3.38 -0.04 0.00 -1.68 0.00 0.00 37.83 32.60 3a2s s LYS 254 CO 0.20 0.27 0.08 -1.01 -0.76 0.00 0.00 175.35 174.13 3a2s s HIS 255 N 0.18 3.37 0.00 3.18 3.76 0.20 -0.76 115.29 125.22 3a2s s HIS 255 Ca 0.29 0.33 -0.28 0.00 -0.15 0.00 0.00 55.06 55.25 3a2s s HIS 255 Cb -0.17 -1.83 0.08 0.00 1.11 0.00 0.00 32.58 31.77 3a2s s HIS 255 CO 0.14 0.60 0.71 -1.83 -0.85 0.00 0.00 174.74 173.51 3a2s s GLU 256 N -1.19 1.06 -0.17 1.40 -1.05 0.07 -0.88 118.70 117.93 3a2s s GLU 256 Ca 0.17 -0.01 -0.24 0.00 -0.15 0.00 0.00 54.97 54.73 3a2s s GLU 256 Cb -0.12 0.49 0.06 0.00 -0.44 0.00 0.00 34.13 34.13 3a2s s GLU 256 CO 0.07 -0.38 0.63 -1.14 0.95 0.00 0.00 175.26 175.38 3a2s s GLN 257 N -2.10 0.84 -0.09 -4.83 0.74 -0.19 -0.55 119.66 113.48 3a2s s GLN 257 Ca -0.05 0.63 0.01 0.00 0.05 0.00 0.00 55.36 55.99 3a2s s GLN 257 Cb -0.00 0.40 -0.03 0.00 1.10 0.00 0.00 33.01 34.48 3a2s s GLN 257 CO 0.01 -0.17 -0.10 0.99 -0.55 0.00 0.00 175.29 175.47 3a2s s THR 258 N -0.23 3.40 0.09 -0.34 2.01 -1.26 -1.37 115.64 117.94 3a2s s THR 258 Ca -0.04 -0.57 0.07 0.00 0.31 0.00 0.00 61.69 61.45 3a2s s THR 258 Cb -0.03 -2.40 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 3a2s s THR 258 CO 0.04 0.57 -0.17 -1.10 -0.69 0.00 0.00 174.62 173.26 3a2s s GLN 259 N -0.40 0.99 0.07 4.92 -0.21 -0.16 -1.66 119.66 123.22 3a2s s GLN 259 Ca 0.05 -1.09 0.03 0.00 0.02 0.00 0.00 55.36 54.37 3a2s s GLN 259 Cb -0.12 -1.10 -0.03 0.00 1.00 0.00 0.00 33.01 32.75 3a2s s GLN 259 CO 0.02 0.25 -0.09 0.14 -2.12 0.00 0.00 175.29 173.49 3a2s s VAL 260 N -1.34 0.78 -0.06 1.09 -7.23 -0.33 -0.22 120.40 113.08 3a2s s VAL 260 Ca 0.03 -1.42 -0.14 0.00 -1.81 0.00 0.00 61.98 58.64 3a2s s VAL 260 Cb -0.09 -1.08 0.03 0.00 0.56 0.00 0.00 36.38 35.80 3a2s s VAL 260 CO 0.03 -0.49 0.34 0.00 -0.31 0.00 0.00 175.10 174.68 3a2s s ALA 261 N -2.03 -0.86 -0.03 1.32 0.00 -0.04 -1.30 121.76 118.83 3a2s s ALA 261 Ca -0.01 0.64 -0.05 0.00 0.00 0.00 0.00 51.96 52.54 3a2s s ALA 261 Cb -0.06 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.87 3a2s s ALA 261 CO -0.00 -0.23 0.12 0.00 0.00 0.00 0.00 175.76 175.65 3a2s s ALA 262 N -0.71 -0.29 -0.00 0.00 0.00 -0.05 0.63 121.76 121.34 3a2s s ALA 262 Ca -0.08 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.02 3a2s s ALA 262 Cb -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.99 3a2s s ALA 262 CO 0.03 -0.11 -0.01 0.99 0.00 0.00 0.00 175.76 176.66 3a2s s THR 263 N -0.48 0.06 0.02 0.00 2.01 0.53 -0.99 115.64 116.80 3a2s s THR 263 Ca -0.06 -0.02 0.05 0.00 0.31 0.00 0.00 61.69 61.97 3a2s s THR 263 Cb -0.04 -0.07 -0.02 0.00 0.01 0.00 0.00 72.50 72.38 3a2s s THR 263 CO 0.00 0.03 -0.14 0.00 -0.69 0.00 0.00 174.62 173.82 3a2s s ALA 264 N 0.08 1.15 0.01 7.40 0.00 -0.52 -0.61 121.76 129.27 3a2s s ALA 264 Ca -0.01 -0.72 -0.12 0.00 0.00 0.00 0.00 51.96 51.11 3a2s s ALA 264 Cb -0.01 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.89 3a2s s ALA 264 CO -0.00 0.24 0.26 0.00 0.00 0.00 0.00 175.76 176.26 3a2s s ALA 265 N -0.62 -0.61 -0.03 0.00 0.00 0.08 -0.82 121.76 119.77 3a2s s ALA 265 Ca 0.03 0.07 0.01 0.00 0.00 0.00 0.00 51.96 52.07 3a2s s ALA 265 Cb -0.07 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.24 3a2s s ALA 265 CO 0.00 -0.30 -0.02 -0.47 0.00 0.00 0.00 175.76 174.98 3a2s s TYR 266 N -1.80 0.42 -0.32 0.00 5.04 -1.01 -0.83 117.35 118.85 3a2s s TYR 266 Ca -0.11 -0.06 -0.23 0.00 -2.44 0.00 0.00 57.07 54.23 3a2s s TYR 266 Cb -0.04 -0.42 0.00 0.00 0.35 0.00 0.00 41.96 41.85 3a2s s TYR 266 CO 0.01 -0.11 0.77 0.50 -1.34 0.00 0.00 175.55 175.38 3a2s s ARG 267 N 0.72 3.91 -0.85 4.97 3.52 0.99 -3.19 118.95 129.02 3a2s s ARG 267 Ca -0.08 0.50 -0.05 0.00 -0.13 0.00 0.00 55.73 55.97 3a2s s ARG 267 Cb -0.11 -3.75 0.21 0.00 -1.56 0.00 0.00 34.95 29.75 3a2s s ARG 267 CO -0.01 -0.71 0.75 -0.06 -0.81 0.00 0.00 175.30 174.46 3a2s s PHE 268 N 2.96 3.81 0.00 5.12 0.08 0.70 -4.87 117.98 125.78 3a2s s PHE 268 Ca 0.31 -2.76 0.00 0.00 0.12 0.00 0.00 56.93 54.61 3a2s s PHE 268 Cb -0.14 -3.40 0.00 0.00 -0.57 0.00 0.00 43.02 38.91 3a2s s PHE 268 CO 0.13 -0.83 0.00 0.41 -0.10 0.00 0.00 175.22 174.83 3a2s n GLY 269 N 2.89 1.47 0.75 4.36 0.00 -1.26 -2.09 105.19 111.31 3a2s n GLY 269 Ca 0.17 0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.35 3a2s n GLY 269 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a2s n ASN 270 N 9.74 2.63 -4.50 1.61 3.02 -1.26 -4.94 115.26 121.56 3a2s n ASN 270 Ca 0.00 -1.78 -0.34 0.00 -0.03 0.00 0.00 54.58 52.44 3a2s n ASN 270 Cb 0.00 -0.06 -0.12 0.00 -0.61 0.00 0.00 39.78 38.99 3a2s n ASN 270 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3a2s s VAL 271 N -1.39 3.85 -0.21 2.41 1.01 -0.89 -1.14 120.40 124.04 3a2s s VAL 271 Ca 0.23 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.85 3a2s s VAL 271 Cb 0.15 -2.68 0.04 0.00 0.00 0.00 0.00 36.38 33.89 3a2s s VAL 271 CO 0.22 0.50 -0.13 -0.89 0.00 0.00 0.00 175.10 174.80 3a2s s THR 272 N 0.30 1.91 0.22 3.92 2.01 -0.28 -0.21 115.64 123.50 3a2s s THR 272 Ca -0.04 -1.15 -0.12 0.00 0.31 0.00 0.00 61.69 60.69 3a2s s THR 272 Cb -0.14 -1.91 -0.07 0.00 0.01 0.00 0.00 72.50 70.39 3a2s s THR 272 CO 0.03 0.23 0.58 -2.16 -0.69 0.00 0.00 174.62 172.61 3a2s s PRO 273 N 1.28 3.88 -0.04 4.92 0.04 -1.19 -0.32 135.00 143.57 3a2s s PRO 273 Ca -0.01 0.39 -0.09 0.00 0.04 0.00 0.00 61.00 61.32 3a2s s PRO 273 Cb -0.16 -2.69 0.01 0.00 0.04 0.00 0.00 34.50 31.70 3a2s s PRO 273 CO -0.09 0.34 0.21 0.50 0.04 0.00 0.00 177.00 178.00 3a2s s ARG 274 N -2.61 0.42 -0.01 4.56 3.52 0.24 -2.40 118.95 122.67 3a2s s ARG 274 Ca 0.46 -0.04 0.01 0.00 -0.13 0.00 0.00 55.73 56.03 3a2s s ARG 274 Cb -0.12 0.19 0.00 0.00 -1.56 0.00 0.00 34.95 33.46 3a2s s ARG 274 CO 0.20 -0.09 -0.04 0.54 -0.81 0.00 0.00 175.30 175.10 3a2s s VAL 275 N -0.71 0.33 0.04 7.11 0.11 0.00 -1.42 120.40 125.87 3a2s s VAL 275 Ca -0.08 -0.15 0.04 0.00 -2.93 0.00 0.00 61.98 58.86 3a2s s VAL 275 Cb -0.04 -0.30 -0.02 0.00 -1.53 0.00 0.00 36.38 34.48 3a2s s VAL 275 CO 0.02 0.11 -0.12 -0.44 -3.33 0.00 0.00 175.10 171.33 3a2s s SER 276 N 0.09 1.41 0.03 3.54 0.01 0.61 -1.44 113.70 117.95 3a2s s SER 276 Ca -0.01 -0.47 0.02 0.00 1.31 0.00 0.00 55.95 56.81 3a2s s SER 276 Cb -0.04 -0.06 -0.02 0.00 0.21 0.00 0.00 66.02 66.11 3a2s s SER 276 CO -0.00 -0.03 -0.08 -0.47 0.41 0.00 0.00 173.24 173.07 3a2s s TYR 277 N -0.97 0.69 -0.01 2.43 6.14 -0.16 -1.37 117.35 124.10 3a2s s TYR 277 Ca -0.01 -0.33 -0.14 0.00 0.64 0.00 0.00 57.07 57.22 3a2s s TYR 277 Cb -0.08 -0.42 0.02 0.00 0.42 0.00 0.00 41.96 41.90 3a2s s TYR 277 CO 0.01 -0.04 0.29 0.00 0.64 0.00 0.00 175.55 176.45 3a2s s ALA 278 N -0.86 -0.72 -0.05 3.97 0.00 -0.51 -0.87 121.76 122.72 3a2s s ALA 278 Ca -0.04 0.26 -0.03 0.00 0.00 0.00 0.00 51.96 52.15 3a2s s ALA 278 Cb -0.07 0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.16 3a2s s ALA 278 CO 0.00 -0.25 0.12 -1.58 0.00 0.00 0.00 175.76 174.05 3a2s s HIS 279 N -1.34 -0.13 -0.21 0.00 5.04 -0.42 -0.83 115.29 117.41 3a2s s HIS 279 Ca -0.14 0.38 -0.06 0.00 -1.54 0.00 0.00 55.06 53.70 3a2s s HIS 279 Cb -0.06 -0.05 -0.03 0.00 0.04 0.00 0.00 32.58 32.48 3a2s s HIS 279 CO 0.04 -0.12 0.03 0.20 -2.34 0.00 0.00 174.74 172.55 3a2s s GLY 280 N 0.75 1.76 0.74 1.59 0.00 -0.08 -1.19 107.32 110.89 3a2s s GLY 280 Ca -0.06 -0.98 -0.11 0.00 0.00 0.00 0.00 44.72 43.57 3a2s s GLY 280 CO -0.03 0.27 1.09 -1.36 0.00 0.00 0.00 173.10 173.07 3a2s s PHE 281 N 1.04 3.12 0.17 1.90 0.08 -0.66 -1.21 117.98 122.41 3a2s s PHE 281 Ca 0.03 1.12 -0.34 0.00 0.12 0.00 0.00 56.93 57.86 3a2s s PHE 281 Cb -0.14 -3.07 -0.14 0.00 -0.57 0.00 0.00 43.02 39.10 3a2s s PHE 281 CO 0.02 -1.41 1.48 1.63 -0.10 0.00 0.00 175.22 176.84 3a2s n LYS 282 N -3.18 1.92 -2.22 0.44 5.02 -1.26 -4.06 118.16 114.81 3a2s n LYS 282 Ca 0.07 0.69 -0.32 0.00 -2.02 0.00 0.00 58.31 56.73 3a2s n LYS 282 Cb 0.56 -2.40 -0.01 0.00 -0.02 0.00 0.00 35.03 33.16 3a2s n LYS 282 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3a2s s ALA 283 N 0.55 2.92 -0.22 7.82 0.00 -1.05 -4.74 121.76 127.05 3a2s s ALA 283 Ca 0.77 0.27 -0.13 0.00 0.00 0.00 0.00 51.96 52.87 3a2s s ALA 283 Cb -0.72 -3.17 -0.05 0.00 0.00 0.00 0.00 23.12 19.18 3a2s s ALA 283 CO 0.43 -0.51 0.26 0.21 0.00 0.00 0.00 175.76 176.14 3a2s s LYS 284 N -4.12 4.12 -0.10 0.00 2.20 0.29 0.24 119.74 122.37 3a2s s LYS 284 Ca 0.61 -0.07 0.01 0.00 -0.36 0.00 0.00 55.97 56.16 3a2s s LYS 284 Cb -0.13 -3.53 0.02 0.00 -1.51 0.00 0.00 37.83 32.68 3a2s s LYS 284 CO 0.35 0.04 -0.13 0.08 -0.36 0.00 0.00 175.35 175.33 3a2s s VAL 285 N 1.09 1.30 -1.65 4.02 1.01 0.61 -0.75 120.40 126.03 3a2s s VAL 285 Ca 0.12 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 3a2s s VAL 285 Cb -0.14 -1.21 0.14 0.00 0.00 0.00 0.00 36.38 35.17 3a2s s VAL 285 CO 0.05 0.40 0.84 0.59 0.00 0.00 0.00 175.10 176.99 3a2s n ASN 286 N 4.32 -3.79 0.00 3.32 3.02 -1.13 -1.06 115.26 119.94 3a2s n ASN 286 Ca -0.18 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 3a2s n ASN 286 Cb 0.51 -3.07 0.00 0.00 -0.61 0.00 0.00 39.78 36.61 3a2s n ASN 286 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a2s n GLY 287 N -1.46 0.75 3.31 7.41 0.00 0.06 -4.71 105.19 110.55 3a2s n GLY 287 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 3a2s n GLY 287 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a2s s VAL 288 N -3.12 2.33 0.17 1.61 1.01 -0.22 -4.99 120.40 117.18 3a2s s VAL 288 Ca 0.00 -0.96 -0.34 0.00 0.00 0.00 0.00 61.98 60.68 3a2s s VAL 288 Cb 0.00 -1.88 -0.14 0.00 0.00 0.00 0.00 36.38 34.36 3a2s s VAL 288 CO 0.00 0.57 1.52 0.29 0.00 0.00 0.00 175.10 177.48 3a2s n LYS 289 N 2.95 2.04 -3.72 2.72 5.02 -1.26 -0.29 118.16 125.63 3a2s n LYS 289 Ca -0.18 0.73 -0.30 0.00 -2.02 0.00 0.00 58.31 56.55 3a2s n LYS 289 Cb 0.52 -2.47 -0.15 0.00 -0.02 0.00 0.00 35.03 32.91 3a2s n LYS 289 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3a2s s ASP 290 N 0.74 3.99 0.00 4.39 -1.08 0.14 -4.85 116.67 120.00 3a2s s ASP 290 Ca 0.77 -1.63 0.21 0.00 -0.52 0.00 0.00 52.55 51.38 3a2s s ASP 290 Cb -0.69 -0.83 0.92 0.00 -1.46 0.00 0.00 42.92 40.86 3a2s s ASP 290 CO 0.41 -0.42 1.67 0.00 0.52 0.00 0.00 175.17 177.35 3a2s n ALA 291 N 4.86 1.98 0.25 3.66 0.00 -1.26 -2.52 120.51 127.48 3a2s n ALA 291 Ca -0.02 -0.08 0.15 0.00 0.00 0.00 0.00 53.44 53.49 3a2s n ALA 291 Cb 0.42 -1.34 0.83 0.00 0.00 0.00 0.00 19.45 19.36 3a2s n ALA 291 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3a2s h ASN 292 N 0.00 0.00 1.21 0.00 2.35 -1.93 -2.44 115.58 114.76 3a2s h ASN 292 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3a2s h ASN 292 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 3a2s h ASN 292 CO 0.00 0.00 -0.49 1.88 -1.65 0.00 0.00 177.43 177.17 3a2s h TYR 293 N 0.00 0.00 -4.02 1.19 -1.99 -1.86 -3.31 116.97 106.98 3a2s h TYR 293 Ca 0.04 0.00 -0.52 0.00 2.00 0.00 0.00 58.73 60.25 3a2s h TYR 293 Cb 0.19 0.00 0.08 0.00 2.00 0.00 0.00 36.73 39.00 3a2s h TYR 293 CO 0.00 0.00 0.50 1.14 -0.00 0.00 0.00 178.16 179.80 3a2s s GLN 294 N -3.21 3.60 0.12 4.88 -2.07 -0.92 -4.77 119.66 117.29 3a2s s GLN 294 Ca 0.06 1.85 -0.16 0.00 -1.82 0.00 0.00 55.36 55.29 3a2s s GLN 294 Cb 0.11 -2.34 0.03 0.00 -1.09 0.00 0.00 33.01 29.72 3a2s s GLN 294 CO 0.70 -0.71 0.39 1.52 -1.32 0.00 0.00 175.29 175.88 3a2s s TYR 295 N -1.51 -0.18 -0.01 9.60 1.13 -0.35 -1.02 117.35 125.00 3a2s s TYR 295 Ca 0.66 -0.14 0.01 0.00 -1.41 0.00 0.00 57.07 56.19 3a2s s TYR 295 Cb -0.31 0.24 0.01 0.00 -1.10 0.00 0.00 41.96 40.81 3a2s s TYR 295 CO 0.37 -0.70 -0.01 -0.51 -2.51 0.00 0.00 175.55 172.19 3a2s s ASP 296 N -2.81 0.31 0.00 -0.18 1.01 -0.40 -0.90 116.67 113.70 3a2s s ASP 296 Ca 0.03 -0.03 -0.11 0.00 0.71 0.00 0.00 52.55 53.16 3a2s s ASP 296 Cb 0.02 -0.11 0.01 0.00 1.01 0.00 0.00 42.92 43.85 3a2s s ASP 296 CO -0.12 -0.04 0.22 0.00 0.21 0.00 0.00 175.17 175.44 3a2s s GLN 297 N 0.49 0.59 0.02 8.23 -2.07 -0.01 -1.03 119.66 125.88 3a2s s GLN 297 Ca -0.05 -0.34 0.03 0.00 -1.82 0.00 0.00 55.36 53.19 3a2s s GLN 297 Cb -0.07 0.25 -0.02 0.00 -1.09 0.00 0.00 33.01 32.08 3a2s s GLN 297 CO -0.01 -0.15 -0.09 0.54 -1.32 0.00 0.00 175.29 174.25 3a2s s VAL 298 N -1.49 0.71 -0.03 3.63 0.11 -0.36 -1.43 120.40 121.55 3a2s s VAL 298 Ca -0.13 -0.75 0.02 0.00 -2.93 0.00 0.00 61.98 58.18 3a2s s VAL 298 Cb -0.06 -0.67 0.01 0.00 -1.53 0.00 0.00 36.38 34.13 3a2s s VAL 298 CO 0.02 -0.06 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.04 3a2s s ILE 299 N -0.75 0.58 0.11 7.04 1.01 -0.47 -0.80 121.20 127.92 3a2s s ILE 299 Ca -0.02 -0.22 0.08 0.00 0.00 0.00 0.00 60.65 60.50 3a2s s ILE 299 Cb -0.06 -0.55 -0.04 0.00 0.01 0.00 0.00 42.46 41.82 3a2s s ILE 299 CO 0.00 0.20 -0.21 0.68 0.00 0.00 0.00 174.94 175.62 3a2s s VAL 300 N 0.44 1.74 0.00 2.92 -7.23 0.10 -0.28 120.40 118.09 3a2s s VAL 300 Ca -0.06 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 3a2s s VAL 300 Cb -0.10 -1.62 0.00 0.00 0.56 0.00 0.00 36.38 35.22 3a2s s VAL 300 CO 0.00 -0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 3a2s n GLY 301 N 0.94 0.70 3.42 2.32 0.00 -0.51 0.09 105.19 112.15 3a2s n GLY 301 Ca -0.18 -0.78 -0.15 0.00 0.00 0.00 0.00 46.02 44.91 3a2s n GLY 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a2s s ALA 302 N -1.00 -1.44 -0.05 4.61 0.00 -0.53 -0.59 121.76 122.75 3a2s s ALA 302 Ca 0.00 0.76 0.03 0.00 0.00 0.00 0.00 51.96 52.75 3a2s s ALA 302 Cb 0.00 0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 3a2s s ALA 302 CO 0.00 -0.49 -0.12 -0.51 0.00 0.00 0.00 175.76 174.65 3a2s s ASP 303 N -1.82 4.24 -0.32 0.00 1.01 0.57 -1.60 116.67 118.75 3a2s s ASP 303 Ca -0.06 -0.14 0.01 0.00 0.71 0.00 0.00 52.55 53.07 3a2s s ASP 303 Cb -0.01 -0.95 0.08 0.00 1.01 0.00 0.00 42.92 43.05 3a2s s ASP 303 CO 0.00 0.35 0.01 -0.31 0.21 0.00 0.00 175.17 175.44 3a2s s TYR 304 N -0.77 3.45 -0.60 4.23 2.02 0.27 -1.13 117.35 124.82 3a2s s TYR 304 Ca 0.12 -2.40 -0.26 0.00 -0.37 0.00 0.00 57.07 54.16 3a2s s TYR 304 Cb -0.11 -2.46 0.04 0.00 -0.40 0.00 0.00 41.96 39.03 3a2s s TYR 304 CO 0.01 -0.89 1.08 -0.51 -1.57 0.00 0.00 175.55 173.67 3a2s s ASP 305 N 1.21 6.33 0.26 2.29 1.01 -0.29 -0.10 116.67 127.38 3a2s s ASP 305 Ca 0.00 -0.27 -0.01 0.00 0.71 0.00 0.00 52.55 52.98 3a2s s ASP 305 Cb -0.20 -2.49 0.34 0.00 1.01 0.00 0.00 42.92 41.58 3a2s s ASP 305 CO -0.05 -1.43 1.74 -0.26 0.21 0.00 0.00 175.17 175.38 3a2s h PHE 306 N 9.53 0.77 -3.25 4.23 0.04 -1.56 -3.46 116.94 123.24 3a2s h PHE 306 Ca -0.26 -0.13 -0.15 0.00 2.80 0.00 0.00 57.97 60.23 3a2s h PHE 306 Cb 1.06 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.97 3a2s h PHE 306 CO 1.00 0.77 -0.02 -1.13 -0.60 0.00 0.00 178.31 178.32 3a2s n SER 307 N -4.19 -1.16 0.15 2.17 3.41 -0.94 -4.97 113.62 108.09 3a2s n SER 307 Ca 0.02 -2.31 0.13 0.00 -0.26 0.00 0.00 58.87 56.45 3a2s n SER 307 Cb 0.34 2.08 0.51 0.00 -0.26 0.00 0.00 64.21 66.88 3a2s n SER 307 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3a2s h LYS 308 N 0.00 0.00 0.00 4.33 1.57 -2.02 -3.25 116.57 117.20 3a2s h LYS 308 Ca -0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3a2s h LYS 308 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 3a2s h LYS 308 CO 0.28 0.00 -1.53 0.54 -0.57 0.00 0.00 179.45 178.17 3a2s n ARG 309 N -2.38 0.40 -4.44 3.15 1.74 -1.26 -4.97 116.66 108.90 3a2s n ARG 309 Ca 0.02 -0.11 -0.31 0.00 -0.77 0.00 0.00 57.85 56.68 3a2s n ARG 309 Cb 0.26 -1.28 -0.16 0.00 -1.02 0.00 0.00 32.46 30.25 3a2s n ARG 309 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3a2s s THR 310 N -2.82 1.81 -0.01 0.55 2.01 -1.23 -0.74 115.64 115.21 3a2s s THR 310 Ca -0.04 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.18 3a2s s THR 310 Cb 0.08 -1.63 -0.01 0.00 0.01 0.00 0.00 72.50 70.95 3a2s s THR 310 CO 0.49 0.50 -0.12 -0.44 -0.69 0.00 0.00 174.62 174.37 3a2s s SER 311 N 1.03 1.37 0.13 3.53 0.01 -0.44 -1.43 113.70 117.90 3a2s s SER 311 Ca -0.04 -0.21 -0.10 0.00 1.31 0.00 0.00 55.95 56.91 3a2s s SER 311 Cb -0.15 -0.18 -0.06 0.00 0.21 0.00 0.00 66.02 65.84 3a2s s SER 311 CO -0.04 0.14 0.45 0.00 0.41 0.00 0.00 173.24 174.20 3a2s s ALA 312 N -0.22 3.67 0.01 1.44 0.00 0.86 -0.85 121.76 126.68 3a2s s ALA 312 Ca 0.04 -0.33 0.03 0.00 0.00 0.00 0.00 51.96 51.69 3a2s s ALA 312 Cb -0.05 -2.33 -0.01 0.00 0.00 0.00 0.00 23.12 20.73 3a2s s ALA 312 CO -0.00 0.55 -0.08 -0.51 0.00 0.00 0.00 175.76 175.71 3a2s s LEU 313 N -2.19 2.07 0.00 0.00 1.43 -0.09 0.94 118.68 120.84 3a2s s LEU 313 Ca 0.38 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.22 3a2s s LEU 313 Cb -0.13 -0.36 -0.01 0.00 0.03 0.00 0.00 46.19 45.72 3a2s s LEU 313 CO 0.20 0.03 0.01 0.68 0.23 0.00 0.00 176.35 177.50 3a2s s VAL 314 N -0.46 0.05 0.18 -1.59 -7.23 -0.63 -0.30 120.40 110.43 3a2s s VAL 314 Ca 0.00 -0.45 -0.18 0.00 -1.81 0.00 0.00 61.98 59.55 3a2s s VAL 314 Cb -0.05 -0.17 0.03 0.00 0.56 0.00 0.00 36.38 36.75 3a2s s VAL 314 CO 0.00 -0.24 0.52 -0.94 -0.31 0.00 0.00 175.10 174.12 3a2s s SER 315 N -0.73 -0.29 -0.07 4.85 1.04 -0.90 -1.45 113.70 116.14 3a2s s SER 315 Ca -0.08 -0.41 -0.05 0.00 0.48 0.00 0.00 55.95 55.89 3a2s s SER 315 Cb -0.05 0.57 0.03 0.00 0.10 0.00 0.00 66.02 66.67 3a2s s SER 315 CO -0.00 -1.02 0.18 0.00 0.98 0.00 0.00 173.24 173.38 3a2s s ALA 316 N -3.85 -0.42 0.07 5.32 0.00 0.11 -1.34 121.76 121.65 3a2s s ALA 316 Ca 0.08 0.65 0.05 0.00 0.00 0.00 0.00 51.96 52.74 3a2s s ALA 316 Cb -0.01 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 3a2s s ALA 316 CO -0.05 -0.13 -0.14 0.20 0.00 0.00 0.00 175.76 175.64 3a2s s GLY 317 N 0.62 0.86 -0.08 0.00 0.00 0.07 -0.72 107.32 108.07 3a2s s GLY 317 Ca -0.04 -1.00 0.01 0.00 0.00 0.00 0.00 44.72 43.69 3a2s s GLY 317 CO -0.03 -1.03 -0.09 -0.98 0.00 0.00 0.00 173.10 170.97 3a2s s TRP 318 N -1.28 1.29 -0.04 1.90 0.51 0.02 -1.62 118.94 119.72 3a2s s TRP 318 Ca -0.02 -0.52 0.03 0.00 -2.12 0.00 0.00 56.10 53.47 3a2s s TRP 318 Cb -0.10 -1.03 0.00 0.00 -0.81 0.00 0.00 33.47 31.53 3a2s s TRP 318 CO 0.02 -0.34 -0.12 -1.17 -0.51 0.00 0.00 176.95 174.84 3a2s s LEU 319 N 1.10 1.78 -0.10 2.99 2.96 0.38 -1.22 118.68 126.57 3a2s s LEU 319 Ca -0.07 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 53.62 3a2s s LEU 319 Cb -0.14 -0.72 0.01 0.00 0.50 0.00 0.00 46.19 45.83 3a2s s LEU 319 CO -0.01 0.08 -0.20 -0.54 -1.32 0.00 0.00 176.35 174.36 3a2s s LYS 320 N 0.25 2.70 -0.03 1.98 1.02 -0.20 -0.16 119.74 125.32 3a2s s LYS 320 Ca -0.06 -0.75 0.07 0.00 0.02 0.00 0.00 55.97 55.26 3a2s s LYS 320 Cb -0.11 -2.12 -0.02 0.00 -0.52 0.00 0.00 37.83 35.06 3a2s s LYS 320 CO 0.02 0.07 -0.25 -0.65 -0.92 0.00 0.00 175.35 173.62 3a2s s GLN 321 N 0.60 2.10 2.08 1.68 -0.21 0.14 -1.27 119.66 124.78 3a2s s GLN 321 Ca -0.14 -0.88 0.00 0.00 0.02 0.00 0.00 55.36 54.36 3a2s s GLN 321 Cb -0.17 -1.97 0.00 0.00 1.00 0.00 0.00 33.01 31.88 3a2s s GLN 321 CO 0.04 0.50 0.00 0.41 -2.12 0.00 0.00 175.29 174.12 3a2s n GLY 322 N 2.58 -1.11 3.32 3.09 0.00 -0.19 -0.82 105.19 112.07 3a2s n GLY 322 Ca -0.16 -1.23 -0.14 0.00 0.00 0.00 0.00 46.02 44.49 3a2s n GLY 322 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3a2s s LYS 323 N 0.00 0.62 6.94 1.61 2.20 -1.26 -4.87 119.74 124.98 3a2s s LYS 323 Ca 0.00 0.32 0.00 0.00 -0.36 0.00 0.00 55.97 55.93 3a2s s LYS 323 Cb 0.00 0.29 0.00 0.00 -1.51 0.00 0.00 37.83 36.61 3a2s s LYS 323 CO 0.00 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.27 3a2s n GLY 324 N 2.15 2.15 0.06 5.54 0.00 -1.26 -3.87 105.19 109.97 3a2s n GLY 324 Ca -0.16 -0.20 -0.05 0.00 0.00 0.00 0.00 46.02 45.61 3a2s n GLY 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a2s n ALA 325 N 8.84 1.81 1.36 4.61 0.00 -1.26 -3.99 120.51 131.88 3a2s n ALA 325 Ca 0.00 -0.87 0.13 0.00 0.00 0.00 0.00 53.44 52.69 3a2s n ALA 325 Cb 0.00 -0.15 0.69 0.00 0.00 0.00 0.00 19.45 19.98 3a2s n ALA 325 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a2s n GLY 326 N 2.00 -0.98 3.65 0.00 0.00 -1.25 -4.54 105.19 104.07 3a2s n GLY 326 Ca -0.20 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 3a2s n GLY 326 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3a2s n LYS 327 N -1.16 1.69 -4.51 1.61 4.81 -1.25 -4.83 118.16 114.52 3a2s n LYS 327 Ca 0.15 0.60 -0.25 0.00 -0.87 0.00 0.00 58.31 57.94 3a2s n LYS 327 Cb 0.15 -2.16 -0.17 0.00 0.02 0.00 0.00 35.03 32.87 3a2s n LYS 327 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3a2s s VAL 328 N -1.17 1.12 -0.11 3.15 1.01 0.00 -4.43 120.40 119.97 3a2s s VAL 328 Ca 0.60 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 62.14 3a2s s VAL 328 Cb -0.57 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 3a2s s VAL 328 CO 0.59 0.36 -0.19 -1.61 0.00 0.00 0.00 175.10 174.25 3a2s s GLU 329 N 0.78 3.20 -0.09 2.72 2.02 -0.23 0.26 118.70 127.36 3a2s s GLU 329 Ca -0.12 -0.79 0.04 0.00 0.02 0.00 0.00 54.97 54.12 3a2s s GLU 329 Cb -0.15 -2.45 -0.01 0.00 0.10 0.00 0.00 34.13 31.62 3a2s s GLU 329 CO 0.02 0.20 -0.22 -0.65 0.02 0.00 0.00 175.26 174.63 3a2s s GLN 330 N 0.34 2.92 0.08 1.61 -0.21 0.78 0.42 119.66 125.60 3a2s s GLN 330 Ca -0.15 -0.85 0.09 0.00 0.02 0.00 0.00 55.36 54.47 3a2s s GLN 330 Cb -0.17 -2.32 -0.03 0.00 1.00 0.00 0.00 33.01 31.49 3a2s s GLN 330 CO 0.07 0.27 -0.25 0.95 -2.12 0.00 0.00 175.29 174.22 3a2s s THR 331 N 0.13 2.03 0.15 -0.19 -4.23 -0.50 -0.47 115.64 112.57 3a2s s THR 331 Ca -0.11 -1.48 -0.21 0.00 -1.18 0.00 0.00 61.69 58.71 3a2s s THR 331 Cb -0.16 -1.77 0.06 0.00 1.34 0.00 0.00 72.50 71.97 3a2s s THR 331 CO 0.06 0.20 0.55 0.00 -0.54 0.00 0.00 174.62 174.90 3a2s s ALA 332 N -0.92 -1.44 0.07 3.99 0.00 -0.64 -1.17 121.76 121.65 3a2s s ALA 332 Ca 0.11 0.36 -0.11 0.00 0.00 0.00 0.00 51.96 52.32 3a2s s ALA 332 Cb -0.10 0.84 0.01 0.00 0.00 0.00 0.00 23.12 23.87 3a2s s ALA 332 CO 0.03 -0.74 0.24 -1.54 0.00 0.00 0.00 175.76 173.75 3a2s s SER 333 N -2.76 -0.00 0.10 0.00 1.04 0.47 -0.75 113.70 111.79 3a2s s SER 333 Ca 0.01 -0.42 -0.08 0.00 0.48 0.00 0.00 55.95 55.94 3a2s s SER 333 Cb -0.00 0.34 -0.00 0.00 0.10 0.00 0.00 66.02 66.45 3a2s s SER 333 CO -0.13 -0.66 0.19 0.00 0.98 0.00 0.00 173.24 173.62 3a2s s MET 334 N -3.15 0.88 0.03 4.02 0.23 -0.45 -0.43 119.30 120.43 3a2s s MET 334 Ca -0.01 -1.01 0.05 0.00 -1.03 0.00 0.00 55.69 53.69 3a2s s MET 334 Cb 0.01 0.34 -0.02 0.00 -1.53 0.00 0.00 34.83 33.63 3a2s s MET 334 CO -0.07 -0.28 -0.13 0.54 -2.03 0.00 0.00 175.02 173.04 3a2s s VAL 335 N -3.88 1.06 0.36 5.16 0.11 -0.76 -2.11 120.40 120.34 3a2s s VAL 335 Ca 0.07 -0.93 -0.16 0.00 -2.93 0.00 0.00 61.98 58.02 3a2s s VAL 335 Cb 0.05 -0.96 0.06 0.00 -1.53 0.00 0.00 36.38 34.00 3a2s s VAL 335 CO -0.09 0.02 0.81 -0.83 -3.33 0.00 0.00 175.10 171.68 3a2s s GLY 336 N -1.04 0.33 -0.04 6.54 0.00 0.59 -0.35 107.32 113.35 3a2s s GLY 336 Ca 0.01 -0.70 -0.03 0.00 0.00 0.00 0.00 44.72 44.00 3a2s s GLY 336 CO 0.01 -0.03 0.10 -2.27 0.00 0.00 0.00 173.10 170.91 3a2s s LEU 337 N -3.10 1.48 -0.05 0.66 2.96 0.47 -0.92 118.68 120.18 3a2s s LEU 337 Ca 0.16 0.21 0.02 0.00 -0.22 0.00 0.00 54.13 54.30 3a2s s LEU 337 Cb -0.05 0.33 0.02 0.00 0.50 0.00 0.00 46.19 46.99 3a2s s LEU 337 CO 0.11 -0.05 -0.08 -0.60 -1.32 0.00 0.00 176.35 174.40 3a2s s ARG 338 N 0.23 1.25 -0.09 1.98 3.52 -0.03 -1.59 118.95 124.22 3a2s s ARG 338 Ca -0.01 -0.25 -0.01 0.00 -0.13 0.00 0.00 55.73 55.32 3a2s s ARG 338 Cb -0.02 -1.11 0.03 0.00 -1.56 0.00 0.00 34.95 32.28 3a2s s ARG 338 CO -0.01 -0.03 -0.04 -1.58 -0.81 0.00 0.00 175.30 172.83 3a2s s HIS 339 N 0.80 1.08 -0.09 5.12 2.46 0.17 -1.32 115.29 123.50 3a2s s HIS 339 Ca -0.13 -0.45 -0.12 0.00 0.47 0.00 0.00 55.06 54.83 3a2s s HIS 339 Cb -0.15 -1.01 -0.05 0.00 -0.13 0.00 0.00 32.58 31.24 3a2s s HIS 339 CO 0.02 -0.42 0.29 0.15 -2.47 0.00 0.00 174.74 172.31 3a2s s LYS 340 N 1.81 3.92 0.00 2.88 1.02 0.08 -0.47 119.74 128.99 3a2s s LYS 340 Ca 0.05 0.15 0.00 0.00 0.02 0.00 0.00 55.97 56.18 3a2s s LYS 340 Cb -0.12 -3.29 0.00 0.00 -0.52 0.00 0.00 37.83 33.89 3a2s s LYS 340 CO -0.07 0.54 0.30 1.97 -0.92 0.00 0.00 175.35 177.17