#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a2r s VAL 2 N 0.00 -0.00 -0.01 1.69 1.01 -1.26 -1.04 120.40 120.79 3a2r s VAL 2 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 3a2r s VAL 2 Cb 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.49 3a2r s VAL 2 CO 0.00 0.00 0.03 0.42 0.00 0.00 0.00 175.10 175.55 3a2r s THR 3 N 0.52 0.01 -0.13 3.92 -4.23 0.16 -4.97 115.64 110.92 3a2r s THR 3 Ca -0.01 -0.08 -0.12 0.00 -1.18 0.00 0.00 61.69 60.30 3a2r s THR 3 Cb -0.05 -0.08 -0.05 0.00 1.34 0.00 0.00 72.50 73.67 3a2r s THR 3 CO -0.02 -0.04 0.24 -0.22 -0.54 0.00 0.00 174.62 174.04 3a2r s LEU 4 N -0.11 4.31 0.30 4.79 2.96 -1.26 -1.67 118.68 127.99 3a2r s LEU 4 Ca -0.01 0.51 -0.10 0.00 -0.22 0.00 0.00 54.13 54.31 3a2r s LEU 4 Cb -0.01 -2.28 0.01 0.00 0.50 0.00 0.00 46.19 44.41 3a2r s LEU 4 CO 0.00 0.22 0.53 -0.72 -1.32 0.00 0.00 176.35 175.06 3a2r s TYR 5 N -0.15 0.58 0.00 5.38 1.13 -1.13 -5.01 117.35 118.15 3a2r s TYR 5 Ca 0.16 -0.94 0.00 0.00 -1.41 0.00 0.00 57.07 54.87 3a2r s TYR 5 Cb -0.13 0.19 0.00 0.00 -1.10 0.00 0.00 41.96 40.92 3a2r s TYR 5 CO 0.04 -1.13 0.00 0.41 -2.51 0.00 0.00 175.55 172.36 3a2r n GLY 6 N -0.47 0.91 2.90 5.49 0.00 -1.03 -0.60 105.19 112.39 3a2r n GLY 6 Ca -0.02 -1.05 -0.22 0.00 0.00 0.00 0.00 46.02 44.73 3a2r n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a2r s THR 7 N -2.00 0.69 -0.18 2.61 2.01 -0.54 -1.13 115.64 117.09 3a2r s THR 7 Ca 0.00 -0.18 -0.09 0.00 0.31 0.00 0.00 61.69 61.73 3a2r s THR 7 Cb 0.00 -0.71 -0.05 0.00 0.01 0.00 0.00 72.50 71.76 3a2r s THR 7 CO 0.00 0.27 0.12 -0.63 -0.69 0.00 0.00 174.62 173.69 3a2r s ILE 8 N 1.10 5.30 -0.25 1.82 -1.09 0.44 -0.69 121.20 127.82 3a2r s ILE 8 Ca -0.08 0.15 -0.21 0.00 -2.23 0.00 0.00 60.65 58.27 3a2r s ILE 8 Cb -0.14 -3.40 0.07 0.00 -1.58 0.00 0.00 42.46 37.41 3a2r s ILE 8 CO -0.01 0.47 0.67 -1.59 -1.23 0.00 0.00 174.94 173.25 3a2r s LYS 9 N 0.15 0.76 0.06 2.79 -2.85 -1.26 0.45 119.74 119.84 3a2r s LYS 9 Ca 0.08 0.98 -0.28 0.00 -1.00 0.00 0.00 55.97 55.75 3a2r s LYS 9 Cb -0.11 0.32 0.10 0.00 -2.06 0.00 0.00 37.83 36.08 3a2r s LYS 9 CO -0.01 -0.11 1.14 0.00 0.10 0.00 0.00 175.35 176.47 3a2r s ALA 10 N 0.63 -1.97 -0.02 0.59 0.00 -0.04 -1.06 121.76 119.88 3a2r s ALA 10 Ca -0.02 0.46 -0.11 0.00 0.00 0.00 0.00 51.96 52.29 3a2r s ALA 10 Cb -0.05 0.48 0.04 0.00 0.00 0.00 0.00 23.12 23.58 3a2r s ALA 10 CO -0.03 -1.04 0.48 0.41 0.00 0.00 0.00 175.76 175.58 3a2r n GLY 11 N -0.47 0.38 3.59 0.00 0.00 -0.71 0.44 105.19 108.41 3a2r n GLY 11 Ca -0.07 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 3a2r n GLY 11 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3a2r s VAL 12 N -2.05 4.40 0.11 1.61 -7.23 0.01 0.02 120.40 117.28 3a2r s VAL 12 Ca 0.11 -0.18 0.07 0.00 -1.81 0.00 0.00 61.98 60.18 3a2r s VAL 12 Cb -0.00 -2.95 -0.04 0.00 0.56 0.00 0.00 36.38 33.95 3a2r s VAL 12 CO -0.01 0.49 -0.08 -1.61 -0.31 0.00 0.00 175.10 173.59 3a2r s GLU 13 N 0.21 2.21 -0.08 4.82 2.02 0.34 -1.96 118.70 126.26 3a2r s GLU 13 Ca 0.01 -1.02 0.00 0.00 0.02 0.00 0.00 54.97 53.98 3a2r s GLU 13 Cb -0.13 -2.33 0.02 0.00 0.10 0.00 0.00 34.13 31.79 3a2r s GLU 13 CO 0.01 0.50 -0.05 0.08 0.02 0.00 0.00 175.26 175.83 3a2r s VAL 14 N -1.31 0.71 0.07 2.63 1.01 0.15 -0.89 120.40 122.78 3a2r s VAL 14 Ca 0.23 -0.14 -0.03 0.00 0.00 0.00 0.00 61.98 62.04 3a2r s VAL 14 Cb -0.11 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 3a2r s VAL 14 CO 0.15 0.30 0.04 -0.94 0.00 0.00 0.00 175.10 174.65 3a2r s SER 15 N 1.44 0.37 -0.16 3.32 1.04 -0.60 -1.06 113.70 118.05 3a2r s SER 15 Ca -0.02 -0.95 -0.14 0.00 0.48 0.00 0.00 55.95 55.33 3a2r s SER 15 Cb -0.13 0.25 0.04 0.00 0.10 0.00 0.00 66.02 66.28 3a2r s SER 15 CO -0.04 -0.66 0.41 -0.60 0.98 0.00 0.00 173.24 173.34 3a2r s ARG 16 N -3.93 0.47 0.04 4.02 3.52 -0.18 -0.78 118.95 122.10 3a2r s ARG 16 Ca 0.09 0.61 0.04 0.00 -0.13 0.00 0.00 55.73 56.34 3a2r s ARG 16 Cb 0.07 0.20 -0.04 0.00 -1.56 0.00 0.00 34.95 33.62 3a2r s ARG 16 CO -0.08 -0.07 -0.08 0.08 -0.81 0.00 0.00 175.30 174.34 3a2r s VAL 17 N 0.40 3.56 -0.30 7.11 1.01 -1.26 -0.96 120.40 129.95 3a2r s VAL 17 Ca -0.01 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.06 3a2r s VAL 17 Cb -0.04 -2.58 0.08 0.00 0.00 0.00 0.00 36.38 33.84 3a2r s VAL 17 CO -0.01 0.30 -0.03 -0.75 0.00 0.00 0.00 175.10 174.61 3a2r s LYS 18 N -1.67 1.94 -0.31 2.72 2.20 0.15 -0.31 119.74 124.46 3a2r s LYS 18 Ca 0.19 -1.57 0.01 0.00 -0.36 0.00 0.00 55.97 54.23 3a2r s LYS 18 Cb -0.11 -3.06 0.15 0.00 -1.51 0.00 0.00 37.83 33.30 3a2r s LYS 18 CO 0.10 -0.74 0.35 0.34 -0.36 0.00 0.00 175.35 175.04 3a2r s ASP 19 N 1.05 1.17 0.28 1.43 2.15 0.80 -0.77 116.67 122.78 3a2r s ASP 19 Ca -0.00 -0.82 0.02 0.00 0.43 0.00 0.00 52.55 52.18 3a2r s ASP 19 Cb -0.20 0.71 0.62 0.00 -0.30 0.00 0.00 42.92 43.75 3a2r s ASP 19 CO -0.06 -0.35 1.76 0.00 -0.17 0.00 0.00 175.17 176.35 3a2r h ALA 20 N 7.98 1.42 -0.96 3.66 0.00 -1.75 -1.41 119.26 128.20 3a2r h ALA 20 Ca -0.08 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.01 3a2r h ALA 20 Cb 1.09 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 3a2r h ALA 20 CO 0.29 -0.11 0.61 0.78 0.00 0.00 0.00 179.25 180.81 3a2r h GLY 21 N 0.64 1.51 0.00 0.00 0.00 -1.90 -3.30 103.07 100.03 3a2r h GLY 21 Ca 0.51 -0.42 -0.12 0.00 0.00 0.00 0.00 47.33 47.30 3a2r h GLY 21 CO -0.39 0.23 -1.72 -1.30 0.00 0.00 0.00 176.54 173.36 3a2r n THR 22 N -4.59 0.45 -3.70 4.70 -2.24 -1.01 -4.89 114.28 102.99 3a2r n THR 22 Ca 0.16 -0.42 -0.38 0.00 -2.27 0.00 0.00 64.05 61.15 3a2r n THR 22 Cb 0.26 -0.27 -0.11 0.00 -2.10 0.00 0.00 70.33 68.11 3a2r n THR 22 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3a2r s TYR 23 N -2.58 3.44 -0.62 4.78 2.02 -0.56 -4.95 117.35 118.87 3a2r s TYR 23 Ca -0.05 -1.96 0.25 0.00 -0.37 0.00 0.00 57.07 54.93 3a2r s TYR 23 Cb 0.06 -3.03 0.90 0.00 -0.40 0.00 0.00 41.96 39.49 3a2r s TYR 23 CO 0.52 -0.91 1.74 0.36 -1.57 0.00 0.00 175.55 175.69 3a2r n LYS 24 N 4.76 0.22 -1.17 -0.62 0.00 -1.26 -4.10 118.16 115.99 3a2r n LYS 24 Ca -0.07 0.31 -0.34 0.00 -0.00 0.00 0.00 58.31 58.20 3a2r n LYS 24 Cb 0.42 -1.82 0.11 0.00 -0.00 0.00 0.00 35.03 33.73 3a2r n LYS 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3a2r n ALA 25 N -1.77 -0.55 -1.62 0.58 0.00 -1.26 -4.77 120.51 111.12 3a2r n ALA 25 Ca 0.04 -0.31 -0.51 0.00 0.00 0.00 0.00 53.44 52.66 3a2r n ALA 25 Cb 0.33 -2.11 -0.06 0.00 0.00 0.00 0.00 19.45 17.61 3a2r n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a2r n GLN 26 N -2.35 1.39 -1.16 0.00 10.64 -1.26 -0.97 117.38 123.66 3a2r n GLN 26 Ca 0.12 0.50 -0.06 0.00 -1.83 0.00 0.00 57.00 55.74 3a2r n GLN 26 Cb 0.50 -2.18 -0.02 0.00 -0.86 0.00 0.00 30.24 27.68 3a2r n GLN 26 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3a2r n GLY 27 N 2.86 0.71 2.26 2.61 0.00 -1.26 -3.37 105.19 108.99 3a2r n GLY 27 Ca 0.19 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 3a2r n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a2r n GLY 28 N -0.97 0.88 3.75 -0.02 0.00 -0.14 -4.81 105.19 103.88 3a2r n GLY 28 Ca -0.06 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 3a2r n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a2r s LYS 29 N -3.15 4.25 1.14 1.61 1.02 -1.22 -0.14 119.74 123.26 3a2r s LYS 29 Ca 0.00 0.46 -0.16 0.00 0.02 0.00 0.00 55.97 56.29 3a2r s LYS 29 Cb 0.00 -3.38 0.26 0.00 -0.52 0.00 0.00 37.83 34.19 3a2r s LYS 29 CO 0.00 0.30 1.09 -1.54 -0.92 0.00 0.00 175.35 174.28 3a2r s SER 30 N 0.15 1.39 0.95 2.83 1.04 0.58 -4.54 113.70 116.10 3a2r s SER 30 Ca 0.26 0.89 -0.15 0.00 0.48 0.00 0.00 55.95 57.43 3a2r s SER 30 Cb -0.16 -1.34 0.18 0.00 0.10 0.00 0.00 66.02 64.80 3a2r s SER 30 CO 0.12 -3.86 1.24 -0.54 0.98 0.00 0.00 173.24 171.17 3a2r s LYS 31 N -5.16 0.76 -0.26 4.02 3.01 -1.26 -4.77 119.74 116.09 3a2r s LYS 31 Ca 0.69 -0.16 -0.13 0.00 -1.01 0.00 0.00 55.97 55.36 3a2r s LYS 31 Cb -0.14 -1.84 -0.04 0.00 -1.01 0.00 0.00 37.83 34.80 3a2r s LYS 31 CO 0.57 -2.37 0.27 0.99 0.51 0.00 0.00 175.35 175.32 3a2r s THR 32 N -3.63 5.26 0.07 2.17 2.01 -1.26 -4.49 115.64 115.78 3a2r s THR 32 Ca 0.70 0.37 -0.06 0.00 0.31 0.00 0.00 61.69 63.01 3a2r s THR 32 Cb -0.08 -3.60 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 3a2r s THR 32 CO 0.53 0.24 0.32 0.00 -0.69 0.00 0.00 174.62 175.02 3a2r s ALA 33 N 1.63 3.83 -0.21 7.40 0.00 0.04 -4.94 121.76 129.51 3a2r s ALA 33 Ca 0.11 -0.58 -0.02 0.00 0.00 0.00 0.00 51.96 51.47 3a2r s ALA 33 Cb -0.15 -2.09 0.07 0.00 0.00 0.00 0.00 23.12 20.95 3a2r s ALA 33 CO 0.09 0.67 0.04 0.99 0.00 0.00 0.00 175.76 177.55 3a2r s THR 34 N -1.47 0.59 -0.05 0.00 2.01 -1.26 -1.56 115.64 113.90 3a2r s THR 34 Ca 0.34 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.67 3a2r s THR 34 Cb -0.13 -1.14 0.01 0.00 0.01 0.00 0.00 72.50 71.25 3a2r s THR 34 CO 0.21 -0.28 -0.12 -1.10 -0.69 0.00 0.00 174.62 172.64 3a2r s GLN 35 N 1.82 1.51 0.08 4.92 -0.21 -0.07 -4.96 119.66 122.74 3a2r s GLN 35 Ca 0.00 -0.39 -0.31 0.00 0.02 0.00 0.00 55.36 54.69 3a2r s GLN 35 Cb -0.17 -1.29 -0.09 0.00 1.00 0.00 0.00 33.01 32.46 3a2r s GLN 35 CO -0.11 0.06 1.86 0.42 -2.12 0.00 0.00 175.29 175.40 3a2r s ILE 36 N 0.53 2.78 -0.02 1.08 1.01 -1.26 -0.50 121.20 124.82 3a2r s ILE 36 Ca -0.11 0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.65 3a2r s ILE 36 Cb -0.14 -3.06 0.01 0.00 0.01 0.00 0.00 42.46 39.28 3a2r s ILE 36 CO 0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 174.94 174.94 3a2r s ALA 37 N 3.38 0.35 0.28 9.38 0.00 0.10 -4.95 121.76 130.30 3a2r s ALA 37 Ca 0.83 0.01 -0.29 0.00 0.00 0.00 0.00 51.96 52.50 3a2r s ALA 37 Cb -0.44 -0.23 -0.10 0.00 0.00 0.00 0.00 23.12 22.36 3a2r s ALA 37 CO 0.38 0.00 1.26 0.34 0.00 0.00 0.00 175.76 177.74 3a2r s ASP 38 N 0.54 6.92 -0.05 0.00 2.15 -1.26 -1.74 116.67 123.23 3a2r s ASP 38 Ca -0.06 2.50 0.13 0.00 0.43 0.00 0.00 52.55 55.56 3a2r s ASP 38 Cb -0.09 -2.63 0.47 0.00 -0.30 0.00 0.00 42.92 40.37 3a2r s ASP 38 CO -0.01 -0.44 1.36 0.49 -0.17 0.00 0.00 175.17 176.39 3a2r n PHE 39 N 1.50 0.88 0.00 -5.34 3.72 -0.22 -4.11 117.46 113.90 3a2r n PHE 39 Ca 0.02 -0.38 0.00 0.00 -0.05 0.00 0.00 57.45 57.04 3a2r n PHE 39 Cb 0.43 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 3a2r n PHE 39 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a2r n GLY 40 N 1.03 0.95 3.60 1.37 0.00 -1.26 -4.57 105.19 106.32 3a2r n GLY 40 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3a2r n GLY 40 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3a2r n SER 41 N 0.00 0.61 -3.62 1.61 7.64 -1.17 -4.86 113.62 113.83 3a2r n SER 41 Ca 0.00 0.79 -0.11 0.00 1.01 0.00 0.00 58.87 60.56 3a2r n SER 41 Cb 0.00 -1.37 -0.05 0.00 -1.01 0.00 0.00 64.21 61.78 3a2r n SER 41 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 3a2r s LYS 42 N -2.73 1.04 -0.04 1.43 -2.85 0.13 -1.07 119.74 115.66 3a2r s LYS 42 Ca 0.76 -0.55 -0.03 0.00 -1.00 0.00 0.00 55.97 55.14 3a2r s LYS 42 Cb -0.42 0.46 0.01 0.00 -2.06 0.00 0.00 37.83 35.83 3a2r s LYS 42 CO 0.47 -0.39 0.10 -1.50 0.10 0.00 0.00 175.35 174.13 3a2r s ILE 43 N -3.30 -0.00 0.23 3.79 2.07 -0.71 -1.47 121.20 121.81 3a2r s ILE 43 Ca -0.00 0.01 0.01 0.00 -1.41 0.00 0.00 60.65 59.26 3a2r s ILE 43 Cb 0.01 -0.15 -0.04 0.00 0.13 0.00 0.00 42.46 42.40 3a2r s ILE 43 CO -0.08 0.01 0.14 -0.83 -1.91 0.00 0.00 174.94 172.26 3a2r s GLY 44 N 0.13 1.63 -0.03 1.50 0.00 0.23 -1.25 107.32 109.54 3a2r s GLY 44 Ca -0.01 -1.77 -0.02 0.00 0.00 0.00 0.00 44.72 42.92 3a2r s GLY 44 CO -0.00 -1.47 0.07 -1.36 0.00 0.00 0.00 173.10 170.34 3a2r s PHE 45 N -3.96 -0.07 0.12 1.90 0.08 0.09 -2.84 117.98 113.30 3a2r s PHE 45 Ca 0.39 0.21 -0.20 0.00 0.12 0.00 0.00 56.93 57.45 3a2r s PHE 45 Cb 0.07 -0.02 0.05 0.00 -0.57 0.00 0.00 43.02 42.55 3a2r s PHE 45 CO 0.14 -0.06 0.49 -1.59 -0.10 0.00 0.00 175.22 174.11 3a2r s LYS 46 N 0.30 1.14 0.03 0.44 -2.85 -0.67 0.50 119.74 118.62 3a2r s LYS 46 Ca -0.02 -0.54 -0.28 0.00 -1.00 0.00 0.00 55.97 54.13 3a2r s LYS 46 Cb -0.03 0.51 0.10 0.00 -2.06 0.00 0.00 37.83 36.35 3a2r s LYS 46 CO -0.01 -0.46 1.23 0.20 0.10 0.00 0.00 175.35 176.41 3a2r s GLY 47 N -2.64 -0.15 -0.03 0.59 0.00 -0.96 0.39 107.32 104.53 3a2r s GLY 47 Ca 0.01 0.11 -0.29 0.00 0.00 0.00 0.00 44.72 44.55 3a2r s GLY 47 CO -0.11 3.62 0.74 -0.86 0.00 0.00 0.00 173.10 176.49 3a2r s GLN 48 N -2.17 1.00 -0.03 2.90 -2.07 -0.21 -2.01 119.66 117.07 3a2r s GLN 48 Ca 0.24 0.06 -0.01 0.00 -1.82 0.00 0.00 55.36 53.83 3a2r s GLN 48 Cb 0.00 0.47 0.03 0.00 -1.09 0.00 0.00 33.01 32.42 3a2r s GLN 48 CO -0.00 -0.35 0.05 -2.00 -1.32 0.00 0.00 175.29 171.67 3a2r s GLU 49 N -1.80 -0.05 0.14 9.60 2.12 -0.72 -1.01 118.70 126.98 3a2r s GLU 49 Ca -0.06 0.29 -0.31 0.00 0.36 0.00 0.00 54.97 55.25 3a2r s GLU 49 Cb -0.00 -0.36 -0.09 0.00 0.26 0.00 0.00 34.13 33.93 3a2r s GLU 49 CO 0.03 -0.25 1.54 0.34 -0.54 0.00 0.00 175.26 176.38 3a2r s ASP 50 N 1.61 6.64 0.00 -1.70 3.68 -1.26 -1.03 116.67 124.61 3a2r s ASP 50 Ca -0.02 2.54 0.24 0.00 2.13 0.00 0.00 52.55 57.43 3a2r s ASP 50 Cb -0.12 -2.59 0.39 0.00 -1.45 0.00 0.00 42.92 39.15 3a2r s ASP 50 CO -0.03 -0.79 1.38 0.18 0.13 0.00 0.00 175.17 176.04 3a2r n LEU 51 N 4.12 3.22 0.00 -1.34 4.77 0.18 -4.92 117.00 123.03 3a2r n LEU 51 Ca 0.14 -1.30 0.00 0.00 -0.03 0.00 0.00 56.01 54.81 3a2r n LEU 51 Cb 0.39 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3a2r n LEU 51 CO 0.61 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.93 3a2r n GLY 52 N 1.45 3.02 1.93 -0.72 0.00 -1.26 -4.90 105.19 104.71 3a2r n GLY 52 Ca 0.18 -0.96 -0.23 0.00 0.00 0.00 0.00 46.02 45.01 3a2r n GLY 52 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a2r n ASN 53 N 0.49 5.20 0.00 1.61 3.02 -1.26 -4.82 115.26 119.50 3a2r n ASN 53 Ca 0.00 -3.77 0.00 0.00 -0.03 0.00 0.00 54.58 50.78 3a2r n ASN 53 Cb 0.00 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.52 3a2r n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a2r n GLY 54 N -0.90 0.61 3.84 7.41 0.00 -1.26 -4.97 105.19 109.92 3a2r n GLY 54 Ca 0.49 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.18 3a2r n GLY 54 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3a2r s MET 55 N -0.24 3.22 0.01 1.61 0.00 -1.26 -4.12 119.30 118.52 3a2r s MET 55 Ca 0.00 -0.46 0.05 0.00 0.00 0.00 0.00 55.69 55.28 3a2r s MET 55 Cb 0.00 -2.95 -0.02 0.00 0.00 0.00 0.00 34.83 31.87 3a2r s MET 55 CO 0.00 0.64 -0.16 0.15 0.00 0.00 0.00 175.02 175.65 3a2r s LYS 56 N -2.05 1.21 0.21 4.11 1.02 0.13 0.50 119.74 124.87 3a2r s LYS 56 Ca 0.28 -0.66 -0.24 0.00 0.02 0.00 0.00 55.97 55.36 3a2r s LYS 56 Cb -0.12 -1.20 -0.08 0.00 -0.52 0.00 0.00 37.83 35.90 3a2r s LYS 56 CO 0.19 0.32 0.80 0.00 -0.92 0.00 0.00 175.35 175.74 3a2r s ALA 57 N -0.54 3.40 0.03 5.17 0.00 -0.19 -1.44 121.76 128.18 3a2r s ALA 57 Ca 0.05 0.35 0.01 0.00 0.00 0.00 0.00 51.96 52.38 3a2r s ALA 57 Cb -0.07 -2.97 -0.02 0.00 0.00 0.00 0.00 23.12 20.06 3a2r s ALA 57 CO 0.00 0.28 -0.06 0.96 0.00 0.00 0.00 175.76 176.95 3a2r s ILE 58 N -1.31 0.36 0.15 0.00 -4.36 -0.07 -1.75 121.20 114.22 3a2r s ILE 58 Ca 0.40 -0.89 -0.15 0.00 -0.26 0.00 0.00 60.65 59.75 3a2r s ILE 58 Cb -0.21 -0.44 0.03 0.00 1.25 0.00 0.00 42.46 43.08 3a2r s ILE 58 CO 0.25 -0.35 0.42 -1.66 0.24 0.00 0.00 174.94 173.84 3a2r s TRP 59 N -1.21 -0.09 -0.12 1.37 1.48 -0.85 -0.47 118.94 119.04 3a2r s TRP 59 Ca -0.10 -0.24 -0.27 0.00 -1.06 0.00 0.00 56.10 54.43 3a2r s TRP 59 Cb -0.09 0.26 0.06 0.00 -1.16 0.00 0.00 33.47 32.54 3a2r s TRP 59 CO -0.00 -0.77 0.64 -1.14 -4.06 0.00 0.00 176.95 171.62 3a2r s GLN 60 N -3.85 0.93 -0.21 3.25 0.74 -0.35 -2.26 119.66 117.91 3a2r s GLN 60 Ca 0.07 0.45 -0.03 0.00 0.05 0.00 0.00 55.36 55.90 3a2r s GLN 60 Cb 0.01 0.44 0.07 0.00 1.10 0.00 0.00 33.01 34.63 3a2r s GLN 60 CO -0.07 -0.23 0.06 -1.17 -0.55 0.00 0.00 175.29 173.32 3a2r s LEU 61 N -0.67 1.18 0.03 3.68 0.20 0.18 -1.16 118.68 122.12 3a2r s LEU 61 Ca -0.07 -0.94 0.08 0.00 0.69 0.00 0.00 54.13 53.89 3a2r s LEU 61 Cb -0.02 -0.58 -0.02 0.00 -0.43 0.00 0.00 46.19 45.14 3a2r s LEU 61 CO 0.06 -0.33 -0.24 -0.70 -0.29 0.00 0.00 176.35 174.85 3a2r s GLU 62 N 1.87 1.72 0.05 1.98 2.12 -1.22 -0.73 118.70 124.50 3a2r s GLU 62 Ca 0.01 -0.98 0.05 0.00 0.36 0.00 0.00 54.97 54.41 3a2r s GLU 62 Cb -0.17 -1.81 -0.02 0.00 0.26 0.00 0.00 34.13 32.38 3a2r s GLU 62 CO -0.12 0.48 -0.14 -0.65 -0.54 0.00 0.00 175.26 174.28 3a2r s GLN 63 N -1.01 0.86 0.24 4.30 1.11 -0.38 -1.52 119.66 123.25 3a2r s GLN 63 Ca 0.10 -0.84 -0.30 0.00 0.01 0.00 0.00 55.36 54.33 3a2r s GLN 63 Cb -0.09 -0.86 -0.09 0.00 -1.01 0.00 0.00 33.01 30.95 3a2r s GLN 63 CO 0.01 0.20 1.30 0.15 0.01 0.00 0.00 175.29 176.96 3a2r s LYS 64 N -1.41 4.40 -0.08 2.91 1.02 -1.26 -1.73 119.74 123.59 3a2r s LYS 64 Ca -0.00 2.08 -0.04 0.00 0.02 0.00 0.00 55.97 58.03 3a2r s LYS 64 Cb -0.09 -3.16 0.04 0.00 -0.52 0.00 0.00 37.83 34.10 3a2r s LYS 64 CO 0.02 -0.20 0.18 0.00 -0.92 0.00 0.00 175.35 174.42 3a2r s ALA 65 N -0.28 -0.37 -0.05 5.17 0.00 -0.23 -4.74 121.76 121.25 3a2r s ALA 65 Ca 0.54 0.78 0.03 0.00 0.00 0.00 0.00 51.96 53.31 3a2r s ALA 65 Cb -0.37 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.25 3a2r s ALA 65 CO 0.42 -0.17 -0.14 0.45 0.00 0.00 0.00 175.76 176.33 3a2r s SER 66 N 1.16 1.84 0.00 0.00 0.15 -1.26 -2.77 113.70 112.83 3a2r s SER 66 Ca -0.09 -0.31 0.17 0.00 0.70 0.00 0.00 55.95 56.43 3a2r s SER 66 Cb -0.11 -0.70 0.81 0.00 -1.71 0.00 0.00 66.02 64.32 3a2r s SER 66 CO -0.07 0.08 1.52 2.30 1.20 0.00 0.00 173.24 178.27 3a2r n ILE 67 N 3.52 0.63 1.71 6.45 -5.35 -1.26 -1.21 119.36 123.84 3a2r n ILE 67 Ca -0.21 0.16 0.15 0.00 -0.27 0.00 0.00 62.75 62.58 3a2r n ILE 67 Cb 0.52 -0.87 0.84 0.00 -1.74 0.00 0.00 39.64 38.40 3a2r n ILE 67 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3a2r n ALA 68 N -1.37 2.60 -3.10 -1.28 0.00 -1.26 -4.96 120.51 111.15 3a2r n ALA 68 Ca 0.07 -0.18 -0.16 0.00 0.00 0.00 0.00 53.44 53.16 3a2r n ALA 68 Cb 0.16 -1.49 0.04 0.00 0.00 0.00 0.00 19.45 18.16 3a2r n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a2r n GLY 69 N 1.15 -0.11 0.12 0.00 0.00 -0.35 -4.92 105.19 101.07 3a2r n GLY 69 Ca 0.19 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.22 3a2r n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a2r n THR 70 N -4.20 0.00 -3.71 2.61 -2.24 -1.26 -4.99 114.28 100.49 3a2r n THR 70 Ca -0.02 -0.19 -0.29 0.00 -2.27 0.00 0.00 64.05 61.28 3a2r n THR 70 Cb 0.56 1.06 -0.04 0.00 -2.10 0.00 0.00 70.33 69.81 3a2r n THR 70 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3a2r s ASN 71 N -2.32 6.41 0.06 3.42 0.02 -1.26 -5.06 114.94 116.20 3a2r s ASN 71 Ca 0.08 0.43 -0.14 0.00 -1.02 0.00 0.00 52.86 52.21 3a2r s ASN 71 Cb 0.12 -2.02 0.02 0.00 0.02 0.00 0.00 41.25 39.39 3a2r s ASN 71 CO 0.57 -0.01 0.31 -0.94 0.02 0.00 0.00 177.10 177.06 3a2r s SER 72 N -2.96 -0.12 0.00 -1.22 1.04 -1.26 -4.94 113.70 104.24 3a2r s SER 72 Ca 0.39 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.59 3a2r s SER 72 Cb -0.11 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.38 3a2r s SER 72 CO 0.28 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.46 3a2r n GLY 73 N 0.44 3.78 3.37 7.32 0.00 -1.26 -5.00 105.19 113.84 3a2r n GLY 73 Ca -0.18 -1.66 -0.28 0.00 0.00 0.00 0.00 46.02 43.89 3a2r n GLY 73 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3a2r s TRP 74 N -2.27 2.24 -0.69 1.61 0.52 -1.26 -4.74 118.94 114.35 3a2r s TRP 74 Ca 0.00 -0.39 0.00 0.00 0.02 0.00 0.00 56.10 55.73 3a2r s TRP 74 Cb 0.00 -1.23 0.00 0.00 -1.15 0.00 0.00 33.47 31.09 3a2r s TRP 74 CO 0.00 0.30 0.00 0.41 0.02 0.00 0.00 176.95 177.68 3a2r n GLY 75 N 1.03 0.87 0.97 0.98 0.00 -1.17 -4.89 105.19 102.99 3a2r n GLY 75 Ca -0.18 -0.56 0.12 0.00 0.00 0.00 0.00 46.02 45.40 3a2r n GLY 75 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3a2r n ASN 76 N 0.51 2.95 -4.59 1.61 0.23 -1.10 -4.70 115.26 110.17 3a2r n ASN 76 Ca -0.07 -1.93 -0.26 0.00 -0.53 0.00 0.00 54.58 51.80 3a2r n ASN 76 Cb 0.25 -0.14 -0.01 0.00 -2.08 0.00 0.00 39.78 37.80 3a2r n ASN 76 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3a2r n ARG 77 N 1.21 0.77 -1.70 -3.83 1.74 -0.58 -4.77 116.66 109.49 3a2r n ARG 77 Ca 0.17 -3.25 -0.55 0.00 -0.77 0.00 0.00 57.85 53.46 3a2r n ARG 77 Cb 0.55 0.48 -0.06 0.00 -1.02 0.00 0.00 32.46 32.41 3a2r n ARG 77 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3a2r n GLN 78 N -1.57 1.45 -3.84 5.56 7.27 -1.26 -4.41 117.38 120.58 3a2r n GLN 78 Ca -0.06 0.53 -0.12 0.00 0.07 0.00 0.00 57.00 57.42 3a2r n GLN 78 Cb 0.58 -2.26 -0.12 0.00 2.41 0.00 0.00 30.24 30.86 3a2r n GLN 78 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 3a2r s SER 79 N 3.58 -0.09 0.14 1.69 0.01 -1.00 -3.44 113.70 114.59 3a2r s SER 79 Ca 0.96 0.13 -0.25 0.00 1.31 0.00 0.00 55.95 58.10 3a2r s SER 79 Cb -0.96 0.26 0.07 0.00 0.21 0.00 0.00 66.02 65.60 3a2r s SER 79 CO 0.61 -0.14 1.02 0.72 0.41 0.00 0.00 173.24 175.86 3a2r s PHE 80 N -0.35 -0.08 0.07 2.43 -0.12 -0.31 -1.25 117.98 118.36 3a2r s PHE 80 Ca -0.04 -0.22 0.04 0.00 -0.05 0.00 0.00 56.93 56.66 3a2r s PHE 80 Cb -0.03 0.64 -0.03 0.00 -0.63 0.00 0.00 43.02 42.97 3a2r s PHE 80 CO 0.00 -0.77 -0.12 -1.50 -0.05 0.00 0.00 175.22 172.78 3a2r s ILE 81 N -2.97 0.95 0.07 -4.49 2.07 -1.02 -1.21 121.20 114.60 3a2r s ILE 81 Ca 0.14 -1.26 -0.26 0.00 -1.41 0.00 0.00 60.65 57.85 3a2r s ILE 81 Cb -0.01 -0.96 0.09 0.00 0.13 0.00 0.00 42.46 41.71 3a2r s ILE 81 CO 0.02 -0.28 1.17 -0.83 -1.91 0.00 0.00 174.94 173.10 3a2r s GLY 82 N -1.74 -0.11 0.03 1.50 0.00 0.38 -1.40 107.32 105.98 3a2r s GLY 82 Ca -0.04 0.05 0.05 0.00 0.00 0.00 0.00 44.72 44.78 3a2r s GLY 82 CO 0.02 2.80 -0.14 1.08 0.00 0.00 0.00 173.10 176.86 3a2r s LEU 83 N -3.41 2.15 -0.01 0.66 1.43 0.16 -0.89 118.68 118.77 3a2r s LEU 83 Ca 0.22 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 3a2r s LEU 83 Cb -0.00 -0.60 0.00 0.00 0.03 0.00 0.00 46.19 45.62 3a2r s LEU 83 CO 0.01 0.04 -0.05 -0.75 0.23 0.00 0.00 176.35 175.84 3a2r s LYS 84 N -1.04 0.45 0.00 1.70 2.20 -0.52 -0.12 119.74 122.42 3a2r s LYS 84 Ca 0.02 -0.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.47 3a2r s LYS 84 Cb -0.07 -0.46 0.00 0.00 -1.51 0.00 0.00 37.83 35.79 3a2r s LYS 84 CO 0.01 0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.48 3a2r n GLY 85 N 3.18 1.14 0.33 5.54 0.00 -0.29 0.20 105.19 115.29 3a2r n GLY 85 Ca -0.16 -0.61 0.16 0.00 0.00 0.00 0.00 46.02 45.41 3a2r n GLY 85 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3a2r h GLY 86 N 0.00 0.00 1.88 -0.02 0.00 -1.94 -0.74 103.07 102.25 3a2r h GLY 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3a2r h GLY 86 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 176.54 178.51 3a2r n PHE 87 N -4.14 0.00 0.00 5.60 -1.74 -1.26 -4.75 117.46 111.17 3a2r n PHE 87 Ca 0.03 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.92 3a2r n PHE 87 Cb 0.34 -0.44 0.00 0.00 1.52 0.00 0.00 39.48 40.90 3a2r n PHE 87 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3a2r n GLY 88 N 0.03 0.43 2.79 4.97 0.00 -0.28 -4.51 105.19 108.62 3a2r n GLY 88 Ca 0.05 -1.80 -0.14 0.00 0.00 0.00 0.00 46.02 44.13 3a2r n GLY 88 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a2r s THR 89 N 0.00 -0.05 -0.02 2.61 2.01 -1.10 -1.14 115.64 117.96 3a2r s THR 89 Ca 0.00 0.17 0.07 0.00 0.31 0.00 0.00 61.69 62.24 3a2r s THR 89 Cb 0.00 -0.07 -0.02 0.00 0.01 0.00 0.00 72.50 72.42 3a2r s THR 89 CO 0.00 0.07 -0.23 0.54 -0.69 0.00 0.00 174.62 174.31 3a2r s VAL 90 N 0.84 2.35 -0.05 3.82 0.11 0.83 -1.34 120.40 126.96 3a2r s VAL 90 Ca -0.07 -1.05 -0.09 0.00 -2.93 0.00 0.00 61.98 57.85 3a2r s VAL 90 Cb -0.10 -1.86 0.02 0.00 -1.53 0.00 0.00 36.38 32.90 3a2r s VAL 90 CO -0.02 0.55 0.21 -0.13 -3.33 0.00 0.00 175.10 172.38 3a2r s ARG 91 N -0.75 0.38 -0.03 1.54 0.52 -0.48 -0.66 118.95 119.47 3a2r s ARG 91 Ca 0.11 0.04 0.02 0.00 -0.52 0.00 0.00 55.73 55.38 3a2r s ARG 91 Cb -0.10 0.17 0.01 0.00 0.52 0.00 0.00 34.95 35.55 3a2r s ARG 91 CO -0.00 -0.08 -0.08 0.00 0.02 0.00 0.00 175.30 175.17 3a2r s ALA 92 N -0.51 0.79 0.00 2.13 0.00 -0.49 -0.84 121.76 122.84 3a2r s ALA 92 Ca -0.06 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.65 3a2r s ALA 92 Cb -0.04 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.75 3a2r s ALA 92 CO 0.01 0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.28 3a2r n GLY 93 N 3.47 0.06 3.58 0.00 0.00 -0.72 -2.45 105.19 109.13 3a2r n GLY 93 Ca -0.20 -1.27 -0.34 0.00 0.00 0.00 0.00 46.02 44.21 3a2r n GLY 93 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3a2r s ASN 94 N -4.00 5.77 0.03 1.61 3.04 -0.38 -1.88 114.94 119.12 3a2r s ASN 94 Ca 0.00 -1.79 -0.07 0.00 0.04 0.00 0.00 52.86 51.04 3a2r s ASN 94 Cb 0.00 -2.58 -0.05 0.00 -1.54 0.00 0.00 41.25 37.08 3a2r s ASN 94 CO 0.00 -2.28 0.29 -0.76 -3.04 0.00 0.00 177.10 171.31 3a2r s LEU 95 N 8.15 4.36 0.48 3.21 1.43 -0.08 -2.38 118.68 133.85 3a2r s LEU 95 Ca 0.62 0.58 -0.24 0.00 -1.03 0.00 0.00 54.13 54.06 3a2r s LEU 95 Cb 0.00 -2.76 -0.07 0.00 0.03 0.00 0.00 46.19 43.39 3a2r s LEU 95 CO 0.08 0.23 1.39 0.20 0.23 0.00 0.00 176.35 178.48 3a2r s ASN 96 N -1.78 5.70 0.54 2.29 0.01 -1.26 -0.96 114.94 119.47 3a2r s ASN 96 Ca 0.29 2.85 -0.18 0.00 -0.71 0.00 0.00 52.86 55.11 3a2r s ASN 96 Cb -0.13 -2.65 -0.06 0.00 0.41 0.00 0.00 41.25 38.82 3a2r s ASN 96 CO 0.17 -1.29 1.07 0.28 -1.51 0.00 0.00 177.10 175.82 3a2r s THR 97 N -1.24 3.64 0.41 1.60 -1.32 -0.47 -4.86 115.64 113.39 3a2r s THR 97 Ca 0.64 0.93 0.17 0.00 -1.21 0.00 0.00 61.69 62.23 3a2r s THR 97 Cb -0.42 -3.38 0.38 0.00 -1.51 0.00 0.00 72.50 67.57 3a2r s THR 97 CO 0.53 -0.31 1.84 0.58 -2.21 0.00 0.00 174.62 175.05 3a2r h VAL 98 N 1.08 0.66 0.01 5.08 2.07 -1.90 0.48 116.25 123.71 3a2r h VAL 98 Ca -0.49 -0.14 -0.19 0.00 0.82 0.00 0.00 66.70 66.70 3a2r h VAL 98 Cb 1.23 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3a2r h VAL 98 CO 0.58 0.08 -0.87 -0.07 0.02 0.00 0.00 177.57 177.31 3a2r h LEU 99 N 0.42 0.11 -0.75 2.57 3.38 -1.89 -1.99 115.31 117.16 3a2r h LEU 99 Ca 0.49 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.30 3a2r h LEU 99 Cb 1.22 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 3a2r h LEU 99 CO -0.20 0.92 0.14 0.50 0.09 0.00 0.00 178.44 179.89 3a2r h LYS 100 N 0.04 1.09 -0.34 1.13 3.64 -1.21 -2.94 116.57 117.98 3a2r h LYS 100 Ca -0.03 -0.27 -0.07 0.00 -1.27 0.00 0.00 60.65 59.02 3a2r h LYS 100 Cb 1.51 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.18 3a2r h LYS 100 CO 0.12 0.97 -0.06 -0.44 -2.27 0.00 0.00 179.45 177.78 3a2r h ASP 101 N 1.02 0.64 0.00 4.20 3.32 -1.18 -2.58 116.42 121.84 3a2r h ASP 101 Ca 0.21 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3a2r h ASP 101 Cb 0.39 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3a2r h ASP 101 CO 0.01 0.84 0.02 0.77 -1.72 0.00 0.00 179.24 179.15 3a2r h SER 102 N 0.43 0.00 0.76 6.45 4.64 -1.29 -2.41 113.55 122.14 3a2r h SER 102 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3a2r h SER 102 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3a2r h SER 102 CO 0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 3a2r n GLY 103 N -1.26 -1.25 0.23 -0.77 0.00 -0.97 -2.58 105.19 98.57 3a2r n GLY 103 Ca -0.02 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.01 3a2r n GLY 103 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3a2r h ASP 104 N 0.00 0.00 -0.40 1.61 3.32 -1.60 -0.89 116.42 118.46 3a2r h ASP 104 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3a2r h ASP 104 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3a2r h ASP 104 CO 0.00 0.22 0.00 0.59 -1.72 0.00 0.00 179.24 178.33 3a2r n ASN 105 N -3.92 2.14 0.00 6.45 4.13 -1.07 -4.43 115.26 118.57 3a2r n ASN 105 Ca -0.02 -2.00 0.00 0.00 1.68 0.00 0.00 54.58 54.25 3a2r n ASN 105 Cb 0.30 -0.27 0.00 0.00 -1.54 0.00 0.00 39.78 38.28 3a2r n ASN 105 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3a2r n VAL 106 N 0.67 0.00 -3.63 2.41 0.31 -0.98 -4.83 118.33 112.29 3a2r n VAL 106 Ca 0.13 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.18 3a2r n VAL 106 Cb 0.34 -0.42 -0.16 0.00 -0.91 0.00 0.00 33.84 32.70 3a2r n VAL 106 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3a2r s ASN 107 N -2.07 3.22 0.00 4.52 2.47 -0.38 -4.86 114.94 117.85 3a2r s ASN 107 Ca 0.00 -1.10 0.20 0.00 0.42 0.00 0.00 52.86 52.38 3a2r s ASN 107 Cb 0.00 -0.46 -0.21 0.00 -1.45 0.00 0.00 41.25 39.13 3a2r s ASN 107 CO 0.00 -0.39 0.86 0.00 -3.72 0.00 0.00 177.10 173.85 3a2r n ALA 108 N 5.15 4.60 -1.87 1.71 0.00 -1.26 -4.63 120.51 124.20 3a2r n ALA 108 Ca -0.06 -0.57 -0.32 0.00 0.00 0.00 0.00 53.44 52.49 3a2r n ALA 108 Cb 0.45 -0.73 -0.02 0.00 0.00 0.00 0.00 19.45 19.14 3a2r n ALA 108 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3a2r s TRP 109 N -2.88 3.50 -0.03 0.00 0.52 -1.26 -5.07 118.94 113.71 3a2r s TRP 109 Ca 0.08 1.39 0.04 0.00 0.02 0.00 0.00 56.10 57.63 3a2r s TRP 109 Cb 0.15 -2.75 -0.03 0.00 -1.15 0.00 0.00 33.47 29.70 3a2r s TRP 109 CO 0.82 -0.43 -0.12 -1.21 0.02 0.00 0.00 176.95 176.03 3a2r s GLU 110 N -4.32 2.48 -0.02 4.98 0.41 -1.26 -4.95 118.70 116.02 3a2r s GLU 110 Ca 0.57 -0.72 -0.29 0.00 -0.41 0.00 0.00 54.97 54.13 3a2r s GLU 110 Cb -0.10 -2.40 0.10 0.00 -1.78 0.00 0.00 34.13 29.94 3a2r s GLU 110 CO 0.37 0.61 0.84 -1.54 -0.49 0.00 0.00 175.26 175.05 3a2r s SER 111 N -0.97 -0.43 1.18 -0.19 1.04 -1.26 -4.89 113.70 108.17 3a2r s SER 111 Ca 0.13 0.18 -0.18 0.00 0.48 0.00 0.00 55.95 56.57 3a2r s SER 111 Cb -0.11 0.42 0.27 0.00 0.10 0.00 0.00 66.02 66.70 3a2r s SER 111 CO 0.03 -0.61 1.08 -0.83 0.98 0.00 0.00 173.24 173.89 3a2r s GLY 112 N -2.05 1.56 0.31 7.32 0.00 -1.26 -4.51 107.32 108.69 3a2r s GLY 112 Ca 0.01 -0.76 0.07 0.00 0.00 0.00 0.00 44.72 44.04 3a2r s GLY 112 CO -0.05 0.06 1.72 1.48 0.00 0.00 0.00 173.10 176.32 3a2r h SER 113 N -2.51 0.23 -0.11 1.64 4.64 -1.93 -2.93 113.55 112.58 3a2r h SER 113 Ca -0.48 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 60.74 3a2r h SER 113 Cb 1.31 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 3a2r h SER 113 CO 0.40 0.60 0.05 -1.13 -0.87 0.00 0.00 176.83 175.89 3a2r h ASN 114 N 0.19 0.17 -0.44 4.97 -1.24 -1.95 -3.14 115.58 114.14 3a2r h ASN 114 Ca 0.02 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.02 3a2r h ASN 114 Cb 0.77 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.78 3a2r h ASN 114 CO 0.06 0.17 0.00 0.35 -1.29 0.00 0.00 177.43 176.72 3a2r n THR 115 N -4.47 1.01 0.14 -3.57 -2.24 -1.11 -4.68 114.28 99.35 3a2r n THR 115 Ca -0.01 -1.01 0.19 0.00 -2.27 0.00 0.00 64.05 60.95 3a2r n THR 115 Cb 0.11 0.49 0.70 0.00 -2.10 0.00 0.00 70.33 69.54 3a2r n THR 115 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3a2r h GLU 116 N 2.56 0.00 0.00 -0.78 5.08 -1.49 0.16 114.58 120.11 3a2r h GLU 116 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3a2r h GLU 116 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3a2r h GLU 116 CO 0.00 0.00 -1.84 -0.25 -1.00 0.00 0.00 179.01 175.93 3a2r n ASP 117 N -3.39 0.15 -0.08 1.42 8.00 -1.26 -1.48 116.55 119.91 3a2r n ASP 117 Ca 0.06 -0.09 -0.14 0.00 0.71 0.00 0.00 54.79 55.34 3a2r n ASP 117 Cb 0.67 1.81 -0.07 0.00 -0.02 0.00 0.00 41.12 43.51 3a2r n ASP 117 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3a2r n VAL 118 N -2.20 0.89 1.72 2.53 3.14 -0.48 -4.39 118.33 119.54 3a2r n VAL 118 Ca -0.03 -0.29 0.15 0.00 -2.96 0.00 0.00 64.34 61.21 3a2r n VAL 118 Cb 0.54 -1.34 0.76 0.00 -1.06 0.00 0.00 33.84 32.74 3a2r n VAL 118 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3a2r n LEU 119 N -3.29 0.49 -3.89 6.55 4.77 0.46 -4.32 117.00 117.76 3a2r n LEU 119 Ca -0.29 -0.12 -0.09 0.00 -0.03 0.00 0.00 56.01 55.47 3a2r n LEU 119 Cb 0.76 -0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.74 3a2r n LEU 119 CO 0.09 0.08 -0.02 -0.83 -1.33 0.00 0.00 177.39 175.39 3a2r s GLY 120 N -2.12 0.26 -1.11 -0.72 0.00 -1.21 -4.57 107.32 97.84 3a2r s GLY 120 Ca 0.40 -0.70 -0.09 0.00 0.00 0.00 0.00 44.72 44.34 3a2r s GLY 120 CO 0.39 -0.76 3.14 1.04 0.00 0.00 0.00 173.10 176.91 3a2r n LEU 121 N -0.17 7.66 -0.31 0.66 4.77 -1.26 -4.11 117.00 124.24 3a2r n LEU 121 Ca -0.11 -4.03 0.08 0.00 -0.03 0.00 0.00 56.01 51.92 3a2r n LEU 121 Cb 0.63 -1.50 0.29 0.00 -2.33 0.00 0.00 43.42 40.51 3a2r n LEU 121 CO 0.23 1.96 1.23 1.23 -1.33 0.00 0.00 177.39 180.71 3a2r h GLY 122 N 6.29 1.42 1.07 -0.72 0.00 -1.47 -3.08 103.07 106.58 3a2r h GLY 122 Ca 0.66 -0.38 -0.09 0.00 0.00 0.00 0.00 47.33 47.52 3a2r h GLY 122 CO 1.30 0.16 0.03 -0.84 0.00 0.00 0.00 176.54 177.19 3a2r h THR 123 N 0.89 1.26 0.00 4.70 2.02 -1.83 -2.40 112.91 117.56 3a2r h THR 123 Ca 0.46 -1.11 -0.08 0.00 0.77 0.00 0.00 66.41 66.45 3a2r h THR 123 Cb 0.52 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 3a2r h THR 123 CO -0.22 0.41 -0.36 -0.29 0.37 0.00 0.00 175.52 175.43 3a2r h ILE 124 N 0.97 1.04 0.00 3.11 2.10 -1.94 -2.33 117.51 120.45 3a2r h ILE 124 Ca 0.18 -1.33 0.00 0.00 1.08 0.00 0.00 64.86 64.79 3a2r h ILE 124 Cb 0.52 1.76 0.00 0.00 -1.09 0.00 0.00 36.82 38.01 3a2r h ILE 124 CO 0.03 0.35 0.00 0.61 -1.08 0.00 0.00 178.15 178.06 3a2r n GLY 125 N -0.19 -1.25 0.37 8.18 0.00 -0.93 -3.97 105.19 107.39 3a2r n GLY 125 Ca -0.01 -0.11 0.16 0.00 0.00 0.00 0.00 46.02 46.06 3a2r n GLY 125 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3a2r h ARG 126 N 0.00 0.00 -0.05 1.61 0.11 -1.05 0.32 114.38 115.32 3a2r h ARG 126 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3a2r h ARG 126 Cb 0.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.41 3a2r h ARG 126 CO 0.00 0.00 0.00 1.33 0.10 0.00 0.00 179.97 181.40 3a2r n VAL 127 N -3.14 0.05 -3.68 0.08 0.24 -1.25 -4.49 118.33 106.14 3a2r n VAL 127 Ca 0.03 -0.24 -0.37 0.00 -2.04 0.00 0.00 64.34 61.72 3a2r n VAL 127 Cb 0.62 0.35 -0.06 0.00 -1.47 0.00 0.00 33.84 33.27 3a2r n VAL 127 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3a2r s GLU 128 N -1.95 3.83 0.33 7.34 2.02 0.11 -4.83 118.70 125.54 3a2r s GLU 128 Ca 0.37 0.06 -0.15 0.00 0.02 0.00 0.00 54.97 55.28 3a2r s GLU 128 Cb 0.20 -3.27 0.03 0.00 0.10 0.00 0.00 34.13 31.19 3a2r s GLU 128 CO 0.32 0.59 0.68 -1.54 0.02 0.00 0.00 175.26 175.33 3a2r s SER 129 N -0.57 0.01 -0.01 -0.19 1.04 -1.26 -4.95 113.70 107.77 3a2r s SER 129 Ca 0.17 -0.98 -0.00 0.00 0.48 0.00 0.00 55.95 55.62 3a2r s SER 129 Cb -0.13 0.75 -0.04 0.00 0.10 0.00 0.00 66.02 66.70 3a2r s SER 129 CO 0.06 -1.45 0.05 -0.13 0.98 0.00 0.00 173.24 172.75 3a2r s ARG 130 N -3.18 2.99 -0.07 4.02 0.52 -1.26 -1.37 118.95 120.60 3a2r s ARG 130 Ca 0.17 -0.51 -0.06 0.00 -0.52 0.00 0.00 55.73 54.81 3a2r s ARG 130 Cb -0.04 -2.81 0.02 0.00 0.52 0.00 0.00 34.95 32.64 3a2r s ARG 130 CO 0.11 0.65 0.18 -1.21 0.02 0.00 0.00 175.30 175.04 3a2r s GLU 131 N -1.61 0.21 -0.21 3.54 0.41 -0.13 -4.88 118.70 116.02 3a2r s GLU 131 Ca 0.21 0.24 -0.29 0.00 -0.41 0.00 0.00 54.97 54.73 3a2r s GLU 131 Cb -0.12 0.10 -0.04 0.00 -1.78 0.00 0.00 34.13 32.29 3a2r s GLU 131 CO 0.12 -0.02 1.87 0.42 -0.49 0.00 0.00 175.26 177.16 3a2r s ILE 132 N 0.09 3.36 0.30 -1.63 -1.09 -1.25 -0.91 121.20 120.07 3a2r s ILE 132 Ca -0.00 0.40 -0.20 0.00 -2.23 0.00 0.00 60.65 58.62 3a2r s ILE 132 Cb -0.01 -3.41 0.04 0.00 -1.58 0.00 0.00 42.46 37.50 3a2r s ILE 132 CO 0.00 -0.21 0.79 -0.94 -1.23 0.00 0.00 174.94 173.36 3a2r s SER 133 N 5.83 -0.14 0.05 3.58 1.04 -0.79 -4.64 113.70 118.63 3a2r s SER 133 Ca 0.84 -0.78 0.06 0.00 0.48 0.00 0.00 55.95 56.55 3a2r s SER 133 Cb -0.29 0.73 -0.03 0.00 0.10 0.00 0.00 66.02 66.53 3a2r s SER 133 CO 0.34 -1.39 -0.14 0.68 0.98 0.00 0.00 173.24 173.71 3a2r s VAL 134 N -3.17 3.11 -0.02 5.02 -7.23 -0.72 -1.76 120.40 115.64 3a2r s VAL 134 Ca 0.13 -1.11 -0.01 0.00 -1.81 0.00 0.00 61.98 59.18 3a2r s VAL 134 Cb -0.05 -2.36 0.01 0.00 0.56 0.00 0.00 36.38 34.54 3a2r s VAL 134 CO 0.08 0.30 0.04 -0.60 -0.31 0.00 0.00 175.10 174.61 3a2r s ARG 135 N -1.60 0.03 -0.13 4.82 3.52 -0.02 -1.32 118.95 124.25 3a2r s ARG 135 Ca 0.17 0.08 -0.01 0.00 -0.13 0.00 0.00 55.73 55.84 3a2r s ARG 135 Cb -0.11 -0.03 -0.02 0.00 -1.56 0.00 0.00 34.95 33.24 3a2r s ARG 135 CO 0.08 -0.03 -0.09 -0.47 -0.81 0.00 0.00 175.30 173.97 3a2r s TYR 136 N 0.22 2.90 0.25 5.12 5.04 0.90 -1.39 117.35 130.39 3a2r s TYR 136 Ca -0.02 -0.43 0.08 0.00 -2.44 0.00 0.00 57.07 54.26 3a2r s TYR 136 Cb -0.02 -1.87 -0.04 0.00 0.35 0.00 0.00 41.96 40.38 3a2r s TYR 136 CO -0.01 -0.08 0.07 -0.51 -1.34 0.00 0.00 175.55 173.68 3a2r s ASP 137 N 0.20 4.91 0.94 4.32 1.11 -0.45 -1.20 116.67 126.50 3a2r s ASP 137 Ca -0.06 -0.49 0.00 0.00 0.18 0.00 0.00 52.55 52.19 3a2r s ASP 137 Cb -0.15 -1.06 0.00 0.00 1.07 0.00 0.00 42.92 42.79 3a2r s ASP 137 CO 0.04 -0.00 0.00 -1.54 1.18 0.00 0.00 175.17 174.85 3a2r n SER 138 N -0.93 -0.18 -1.75 0.27 3.41 0.12 -2.69 113.62 111.86 3a2r n SER 138 Ca -0.07 -0.85 -0.24 0.00 -0.26 0.00 0.00 58.87 57.45 3a2r n SER 138 Cb 0.58 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.50 3a2r n SER 138 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3a2r n PRO 139 N -1.03 0.00 -2.64 4.33 -0.02 -1.26 -4.16 135.00 130.21 3a2r n PRO 139 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 3a2r n PRO 139 Cb 0.00 -0.57 -0.02 0.00 -0.02 0.00 0.00 33.50 32.89 3a2r n PRO 139 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3a2r s VAL 140 N 0.49 4.63 -0.04 -1.45 1.01 -1.26 -4.41 120.40 119.37 3a2r s VAL 140 Ca 0.37 1.96 -0.01 0.00 0.00 0.00 0.00 61.98 64.29 3a2r s VAL 140 Cb -0.52 -4.31 0.03 0.00 0.00 0.00 0.00 36.38 31.58 3a2r s VAL 140 CO 0.26 -0.22 0.06 0.12 0.00 0.00 0.00 175.10 175.32 3a2r s PHE 141 N 3.29 0.01 -1.73 5.22 5.36 0.99 -4.81 117.98 126.30 3a2r s PHE 141 Ca 0.45 0.26 -0.19 0.00 -0.96 0.00 0.00 56.93 56.49 3a2r s PHE 141 Cb -0.15 -0.34 0.17 0.00 -0.34 0.00 0.00 43.02 42.36 3a2r s PHE 141 CO 0.08 -0.16 0.73 0.00 -1.46 0.00 0.00 175.22 174.41 3a2r n ALA 142 N 4.79 -1.28 -0.24 11.12 0.00 -1.26 -0.02 120.51 133.63 3a2r n ALA 142 Ca -0.15 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3a2r n ALA 142 Cb 0.50 -3.21 0.00 0.00 0.00 0.00 0.00 19.45 16.74 3a2r n ALA 142 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a2r n GLY 143 N -1.37 2.36 3.84 0.00 0.00 -1.26 -4.96 105.19 103.80 3a2r n GLY 143 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 3a2r n GLY 143 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3a2r s PHE 144 N -3.18 3.58 0.16 1.61 0.08 0.97 -1.27 117.98 119.94 3a2r s PHE 144 Ca 0.00 0.57 -0.02 0.00 0.12 0.00 0.00 56.93 57.59 3a2r s PHE 144 Cb 0.00 -2.04 -0.04 0.00 -0.57 0.00 0.00 43.02 40.37 3a2r s PHE 144 CO 0.00 0.64 0.13 -1.54 -0.10 0.00 0.00 175.22 174.34 3a2r s SER 145 N -0.76 0.20 0.19 1.36 1.04 0.48 -0.01 113.70 116.20 3a2r s SER 145 Ca 0.15 -1.23 -0.20 0.00 0.48 0.00 0.00 55.95 55.15 3a2r s SER 145 Cb -0.13 0.36 0.05 0.00 0.10 0.00 0.00 66.02 66.39 3a2r s SER 145 CO 0.04 -0.81 0.57 -0.83 0.98 0.00 0.00 173.24 173.20 3a2r s GLY 146 N -3.08 -0.34 0.07 7.32 0.00 -1.26 -0.68 107.32 109.35 3a2r s GLY 146 Ca 0.29 0.08 0.04 0.00 0.00 0.00 0.00 44.72 45.13 3a2r s GLY 146 CO 0.06 -0.06 -0.11 -0.56 0.00 0.00 0.00 173.10 172.43 3a2r s SER 147 N -2.82 1.35 -0.09 1.64 0.01 -0.81 -0.71 113.70 112.27 3a2r s SER 147 Ca 0.05 -0.65 -0.07 0.00 1.31 0.00 0.00 55.95 56.60 3a2r s SER 147 Cb -0.01 -0.01 0.03 0.00 0.21 0.00 0.00 66.02 66.24 3a2r s SER 147 CO -0.07 -0.17 0.22 0.54 0.41 0.00 0.00 173.24 174.18 3a2r s VAL 148 N -1.62 -0.01 -0.15 3.43 0.11 -0.34 -1.92 120.40 119.90 3a2r s VAL 148 Ca -0.03 0.03 -0.18 0.00 -2.93 0.00 0.00 61.98 58.88 3a2r s VAL 148 Cb -0.08 -0.32 0.05 0.00 -1.53 0.00 0.00 36.38 34.49 3a2r s VAL 148 CO 0.01 0.01 0.48 -1.58 -3.33 0.00 0.00 175.10 170.69 3a2r s GLN 149 N 0.34 0.62 -0.05 1.54 0.74 0.01 -0.07 119.66 122.78 3a2r s GLN 149 Ca -0.02 0.55 -0.04 0.00 0.05 0.00 0.00 55.36 55.90 3a2r s GLN 149 Cb -0.03 0.30 0.02 0.00 1.10 0.00 0.00 33.01 34.39 3a2r s GLN 149 CO -0.01 -0.10 0.12 -0.47 -0.55 0.00 0.00 175.29 174.28 3a2r s TYR 150 N -0.03 -0.13 -0.31 1.67 6.14 -0.44 -0.37 117.35 123.88 3a2r s TYR 150 Ca -0.02 0.35 -0.04 0.00 0.64 0.00 0.00 57.07 57.99 3a2r s TYR 150 Cb -0.03 0.00 0.04 0.00 0.42 0.00 0.00 41.96 42.39 3a2r s TYR 150 CO 0.02 -0.09 0.04 0.08 0.64 0.00 0.00 175.55 176.24 3a2r s VAL 151 N 0.37 3.39 0.80 3.14 1.01 -0.22 -1.75 120.40 127.14 3a2r s VAL 151 Ca -0.03 -1.17 -0.13 0.00 0.00 0.00 0.00 61.98 60.65 3a2r s VAL 151 Cb -0.04 -2.89 0.08 0.00 0.00 0.00 0.00 36.38 33.53 3a2r s VAL 151 CO -0.01 -0.08 1.19 -2.84 0.00 0.00 0.00 175.10 173.36 3a2r s PRO 152 N 1.35 1.68 0.18 2.72 0.02 -1.26 -2.17 135.00 137.51 3a2r s PRO 152 Ca -0.02 1.70 -0.20 0.00 0.02 0.00 0.00 61.00 62.50 3a2r s PRO 152 Cb -0.19 -1.79 0.11 0.00 0.02 0.00 0.00 34.50 32.66 3a2r s PRO 152 CO 0.00 -2.17 1.61 -0.09 -0.33 0.00 0.00 177.00 176.02 3a2r h ARG 153 N -0.92 -0.16 0.00 5.54 2.43 -1.93 0.29 114.38 119.63 3a2r h ARG 153 Ca -0.46 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 3a2r h ARG 153 Cb 1.29 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 3a2r h ARG 153 CO 0.46 -0.11 0.00 -0.25 -1.51 0.00 0.00 179.97 178.57 3a2r n ASP 154 N -5.42 0.00 -0.06 -3.80 8.00 -1.26 -0.52 116.55 113.50 3a2r n ASP 154 Ca 0.03 -0.60 -0.18 0.00 0.71 0.00 0.00 54.79 54.76 3a2r n ASP 154 Cb 0.33 -0.13 -0.13 0.00 -0.02 0.00 0.00 41.12 41.17 3a2r n ASP 154 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3a2r n ASN 155 N -1.13 1.72 0.02 -2.24 3.02 -0.64 -3.88 115.26 112.13 3a2r n ASN 155 Ca 0.19 0.09 0.01 0.00 -0.03 0.00 0.00 54.58 54.84 3a2r n ASN 155 Cb 0.16 -0.43 0.33 0.00 -0.61 0.00 0.00 39.78 39.23 3a2r n ASN 155 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a2r h ALA 156 N 0.25 1.43 -2.86 5.41 0.00 -0.55 -3.39 119.26 119.55 3a2r h ALA 156 Ca -0.48 -0.18 -0.51 0.00 0.00 0.00 0.00 54.91 53.74 3a2r h ALA 156 Cb 2.01 -0.14 -0.40 0.00 0.00 0.00 0.00 17.79 19.25 3a2r h ALA 156 CO 0.02 0.40 -0.77 1.21 0.00 0.00 0.00 179.25 180.11 3a2r s ASN 157 N -6.76 3.26 -0.08 0.00 3.84 0.32 -4.66 114.94 110.86 3a2r s ASN 157 Ca -0.07 -1.13 -0.26 0.00 0.21 0.00 0.00 52.86 51.61 3a2r s ASN 157 Cb 0.16 -0.33 -0.22 0.00 -0.55 0.00 0.00 41.25 40.31 3a2r s ASN 157 CO 0.76 -0.42 0.94 -0.78 -2.79 0.00 0.00 177.10 174.81 3a2r h ASP 158 N 8.41 -0.03 -1.23 -4.21 1.82 -1.77 -3.31 116.42 116.10 3a2r h ASP 158 Ca -0.19 -0.68 0.43 0.00 -0.39 0.00 0.00 57.03 56.20 3a2r h ASP 158 Cb 1.04 0.01 -0.15 0.00 0.68 0.00 0.00 39.33 40.92 3a2r h ASP 158 CO 0.40 0.70 0.76 0.58 -1.61 0.00 0.00 179.24 180.07 3a2r h VAL 159 N -0.79 0.08 -0.55 2.25 2.07 -1.95 0.48 116.25 117.84 3a2r h VAL 159 Ca -0.00 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3a2r h VAL 159 Cb 0.71 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3a2r h VAL 159 CO 0.01 0.01 0.00 -0.67 0.02 0.00 0.00 177.57 176.94 3a2r n ASP 160 N -4.88 4.69 -0.46 0.57 2.03 -1.25 -4.69 116.55 112.57 3a2r n ASP 160 Ca 0.38 -2.60 0.38 0.00 0.52 0.00 0.00 54.79 53.47 3a2r n ASP 160 Cb 1.39 -0.57 0.66 0.00 -0.72 0.00 0.00 41.12 41.88 3a2r n ASP 160 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3a2r h LYS 161 N 3.55 0.06 0.00 -0.67 1.57 -1.01 -3.16 116.57 116.92 3a2r h LYS 161 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3a2r h LYS 161 Cb 1.50 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.80 3a2r h LYS 161 CO 0.27 0.04 -0.88 0.66 -0.57 0.00 0.00 179.45 178.97 3a2r n TYR 162 N -4.67 0.00 -3.72 -1.35 4.01 -1.26 -4.83 117.16 105.34 3a2r n TYR 162 Ca 0.38 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.74 3a2r n TYR 162 Cb 1.48 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 40.40 3a2r n TYR 162 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 3a2r s LYS 163 N -1.79 2.27 -1.35 -0.72 1.02 -1.19 -5.00 119.74 112.97 3a2r s LYS 163 Ca 0.00 -1.65 -0.11 0.00 0.02 0.00 0.00 55.97 54.23 3a2r s LYS 163 Cb 0.00 -3.63 0.11 0.00 -0.52 0.00 0.00 37.83 33.80 3a2r s LYS 163 CO 0.00 -1.00 2.01 0.72 -0.92 0.00 0.00 175.35 176.16 3a2r n HIS 164 N 4.72 3.22 -0.10 3.18 8.25 -1.26 -4.50 115.22 128.72 3a2r n HIS 164 Ca -0.06 -2.87 -0.19 0.00 -0.26 0.00 0.00 57.72 54.33 3a2r n HIS 164 Cb 0.42 -2.20 -0.12 0.00 1.12 0.00 0.00 29.99 29.20 3a2r n HIS 164 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3a2r n THR 165 N 4.08 1.55 -2.95 1.59 -2.24 -1.26 -4.86 114.28 110.19 3a2r n THR 165 Ca 0.45 -0.58 -0.38 0.00 -2.27 0.00 0.00 64.05 61.27 3a2r n THR 165 Cb 0.38 -1.50 -0.06 0.00 -2.10 0.00 0.00 70.33 67.04 3a2r n THR 165 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3a2r s LYS 166 N -2.53 4.48 0.76 -0.78 -0.14 -1.26 -5.05 119.74 115.22 3a2r s LYS 166 Ca -0.33 1.13 -0.12 0.00 -1.36 0.00 0.00 55.97 55.29 3a2r s LYS 166 Cb 0.09 -3.01 0.05 0.00 -1.68 0.00 0.00 37.83 33.28 3a2r s LYS 166 CO 0.63 0.43 1.12 -1.12 -0.76 0.00 0.00 175.35 175.65 3a2r s SER 167 N -1.45 4.35 0.27 2.83 0.01 -1.26 -4.92 113.70 113.53 3a2r s SER 167 Ca 0.42 2.02 -0.30 0.00 1.31 0.00 0.00 55.95 59.41 3a2r s SER 167 Cb -0.20 -2.55 -0.10 0.00 0.21 0.00 0.00 66.02 63.38 3a2r s SER 167 CO 0.24 -2.15 1.41 -0.55 0.41 0.00 0.00 173.24 172.61 3a2r s SER 168 N -2.83 6.67 -0.13 2.44 0.15 -1.26 -4.91 113.70 113.83 3a2r s SER 168 Ca 0.66 2.68 0.16 0.00 0.70 0.00 0.00 55.95 60.14 3a2r s SER 168 Cb -0.21 -2.63 0.57 0.00 -1.71 0.00 0.00 66.02 62.04 3a2r s SER 168 CO 0.51 -0.67 1.49 0.54 1.20 0.00 0.00 173.24 176.30 3a2r n ARG 169 N 1.94 3.39 -1.60 5.44 3.00 -1.26 -3.40 116.66 124.17 3a2r n ARG 169 Ca 0.05 -2.74 -0.38 0.00 -0.01 0.00 0.00 57.85 54.77 3a2r n ARG 169 Cb 0.41 -1.80 0.04 0.00 0.00 0.00 0.00 32.46 31.11 3a2r n ARG 169 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 3a2r n GLU 170 N 0.27 0.97 -3.76 5.56 0.28 -1.26 -4.82 120.64 117.88 3a2r n GLU 170 Ca 0.21 0.37 -0.10 0.00 -0.16 0.00 0.00 57.16 57.49 3a2r n GLU 170 Cb 0.84 -2.11 -0.06 0.00 1.43 0.00 0.00 31.44 31.54 3a2r n GLU 170 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3a2r s SER 171 N -1.13 -0.04 -0.04 -1.84 1.04 -0.92 -4.19 113.70 106.58 3a2r s SER 171 Ca 0.72 -0.47 0.05 0.00 0.48 0.00 0.00 55.95 56.73 3a2r s SER 171 Cb -0.44 0.39 -0.01 0.00 0.10 0.00 0.00 66.02 66.06 3a2r s SER 171 CO 0.50 -0.76 -0.19 -0.31 0.98 0.00 0.00 173.24 173.46 3a2r s TYR 172 N -3.68 1.85 0.00 5.02 1.51 0.02 -1.05 117.35 121.02 3a2r s TYR 172 Ca 0.03 -0.50 0.03 0.00 -1.01 0.00 0.00 57.07 55.62 3a2r s TYR 172 Cb 0.03 -1.23 -0.01 0.00 -0.11 0.00 0.00 41.96 40.64 3a2r s TYR 172 CO -0.10 -0.15 -0.08 -1.01 -1.11 0.00 0.00 175.55 173.10 3a2r s HIS 173 N -0.11 0.72 -0.01 2.71 3.76 0.50 -0.49 115.29 122.38 3a2r s HIS 173 Ca -0.01 -0.19 -0.28 0.00 -0.15 0.00 0.00 55.06 54.42 3a2r s HIS 173 Cb -0.11 -0.45 0.07 0.00 1.11 0.00 0.00 32.58 33.19 3a2r s HIS 173 CO 0.02 -0.02 0.64 0.00 -0.85 0.00 0.00 174.74 174.53 3a2r s ALA 174 N -0.38 -1.67 0.16 -1.40 0.00 -0.42 -0.81 121.76 117.23 3a2r s ALA 174 Ca 0.01 1.09 -0.16 0.00 0.00 0.00 0.00 51.96 52.90 3a2r s ALA 174 Cb -0.04 0.18 0.03 0.00 0.00 0.00 0.00 23.12 23.28 3a2r s ALA 174 CO -0.00 -0.44 0.45 0.20 0.00 0.00 0.00 175.76 175.96 3a2r s GLY 175 N -1.51 -0.10 -0.03 0.00 0.00 -0.81 -0.59 107.32 104.28 3a2r s GLY 175 Ca -0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 44.72 44.39 3a2r s GLY 175 CO 0.05 -0.35 0.06 -2.27 0.00 0.00 0.00 173.10 170.59 3a2r s LEU 176 N -2.86 1.19 -0.01 0.66 2.96 0.26 -1.93 118.68 118.96 3a2r s LEU 176 Ca 0.08 0.11 0.03 0.00 -0.22 0.00 0.00 54.13 54.13 3a2r s LEU 176 Cb 0.01 0.07 -0.01 0.00 0.50 0.00 0.00 46.19 46.76 3a2r s LEU 176 CO -0.06 -0.11 -0.11 -0.75 -1.32 0.00 0.00 176.35 174.00 3a2r s LYS 177 N 0.84 0.90 -0.06 1.98 2.20 0.14 -0.48 119.74 125.26 3a2r s LYS 177 Ca -0.07 -0.42 0.04 0.00 -0.36 0.00 0.00 55.97 55.16 3a2r s LYS 177 Cb -0.10 -0.87 0.00 0.00 -1.51 0.00 0.00 37.83 35.36 3a2r s LYS 177 CO -0.03 0.24 -0.18 -0.47 -0.36 0.00 0.00 175.35 174.55 3a2r s TYR 178 N -0.30 1.89 -0.08 4.03 5.04 0.69 -0.39 117.35 128.23 3a2r s TYR 178 Ca 0.04 -0.65 0.01 0.00 -2.44 0.00 0.00 57.07 54.03 3a2r s TYR 178 Cb -0.04 -1.29 0.02 0.00 0.35 0.00 0.00 41.96 40.99 3a2r s TYR 178 CO -0.00 -0.26 -0.11 -1.21 -1.34 0.00 0.00 175.55 172.62 3a2r s GLU 179 N 0.28 1.70 -0.07 4.97 2.02 -0.40 -1.18 118.70 126.02 3a2r s GLU 179 Ca -0.11 -0.38 -0.03 0.00 0.02 0.00 0.00 54.97 54.48 3a2r s GLU 179 Cb -0.14 -1.51 0.04 0.00 0.10 0.00 0.00 34.13 32.61 3a2r s GLU 179 CO 0.04 -0.08 0.08 1.21 0.02 0.00 0.00 175.26 176.54 3a2r s ASN 180 N 1.03 1.31 -1.54 -0.19 3.84 0.45 -4.60 114.94 115.23 3a2r s ASN 180 Ca -0.08 -0.02 -0.11 0.00 0.21 0.00 0.00 52.86 52.86 3a2r s ASN 180 Cb -0.15 -0.09 0.08 0.00 -0.55 0.00 0.00 41.25 40.54 3a2r s ASN 180 CO -0.01 -0.27 0.78 0.00 -2.79 0.00 0.00 177.10 174.81 3a2r n ALA 181 N 5.30 -1.50 0.00 1.71 0.00 -1.26 -0.74 120.51 124.02 3a2r n ALA 181 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3a2r n ALA 181 Cb 0.50 -3.31 0.00 0.00 0.00 0.00 0.00 19.45 16.64 3a2r n ALA 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a2r n GLY 182 N -1.64 3.32 3.75 0.00 0.00 -1.26 -4.99 105.19 104.37 3a2r n GLY 182 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 3a2r n GLY 182 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3a2r s PHE 183 N -2.90 3.83 0.01 1.61 0.40 0.08 0.17 117.98 121.17 3a2r s PHE 183 Ca 0.00 1.65 0.02 0.00 -0.60 0.00 0.00 56.93 58.00 3a2r s PHE 183 Cb 0.00 -2.89 -0.01 0.00 0.51 0.00 0.00 43.02 40.63 3a2r s PHE 183 CO 0.00 0.33 -0.06 -0.59 0.70 0.00 0.00 175.22 175.60 3a2r s PHE 184 N -0.42 0.51 -0.02 0.36 -0.71 0.12 -0.41 117.98 117.40 3a2r s PHE 184 Ca 0.41 -0.18 0.04 0.00 -1.04 0.00 0.00 56.93 56.15 3a2r s PHE 184 Cb -0.23 -0.32 -0.00 0.00 -1.21 0.00 0.00 43.02 41.26 3a2r s PHE 184 CO 0.27 -0.03 -0.13 0.20 -1.34 0.00 0.00 175.22 174.19 3a2r s GLY 185 N -0.45 0.70 -0.01 1.99 0.00 -0.33 -0.84 107.32 108.38 3a2r s GLY 185 Ca -0.01 -0.55 -0.01 0.00 0.00 0.00 0.00 44.72 44.16 3a2r s GLY 185 CO -0.00 -0.34 0.03 -0.86 0.00 0.00 0.00 173.10 171.93 3a2r s GLN 186 N -0.07 0.06 -0.14 2.90 -2.07 0.14 -0.22 119.66 120.27 3a2r s GLN 186 Ca 0.00 -0.01 -0.04 0.00 -1.82 0.00 0.00 55.36 53.50 3a2r s GLN 186 Cb -0.08 0.03 -0.03 0.00 -1.09 0.00 0.00 33.01 31.83 3a2r s GLN 186 CO 0.00 -0.01 0.00 -0.47 -1.32 0.00 0.00 175.29 173.50 3a2r s TYR 187 N -0.10 3.13 0.03 9.60 5.04 0.37 0.13 117.35 135.54 3a2r s TYR 187 Ca -0.01 -0.02 0.02 0.00 -2.44 0.00 0.00 57.07 54.61 3a2r s TYR 187 Cb -0.01 -1.92 -0.02 0.00 0.35 0.00 0.00 41.96 40.36 3a2r s TYR 187 CO -0.00 0.20 -0.06 0.00 -1.34 0.00 0.00 175.55 174.35 3a2r s ALA 188 N -0.10 0.47 0.19 3.97 0.00 0.13 -0.57 121.76 125.84 3a2r s ALA 188 Ca 0.04 -0.56 -0.19 0.00 0.00 0.00 0.00 51.96 51.25 3a2r s ALA 188 Cb -0.13 0.01 0.07 0.00 0.00 0.00 0.00 23.12 23.07 3a2r s ALA 188 CO 0.02 0.01 0.91 0.41 0.00 0.00 0.00 175.76 177.11 3a2r n GLY 189 N 1.97 0.71 3.37 0.00 0.00 0.24 -0.23 105.19 111.25 3a2r n GLY 189 Ca -0.20 -1.14 -0.13 0.00 0.00 0.00 0.00 46.02 44.55 3a2r n GLY 189 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a2r s SER 190 N -3.18 -0.39 -0.04 1.61 1.04 -0.77 -1.31 113.70 110.66 3a2r s SER 190 Ca 0.20 0.07 -0.02 0.00 0.48 0.00 0.00 55.95 56.68 3a2r s SER 190 Cb -0.03 0.49 0.02 0.00 0.10 0.00 0.00 66.02 66.60 3a2r s SER 190 CO 0.06 -0.74 0.09 0.12 0.98 0.00 0.00 173.24 173.74 3a2r s PHE 191 N -2.71 -0.09 -0.09 5.02 5.36 0.36 -1.62 117.98 124.21 3a2r s PHE 191 Ca -0.04 0.26 -0.02 0.00 -0.96 0.00 0.00 56.93 56.18 3a2r s PHE 191 Cb -0.00 -0.04 0.04 0.00 -0.34 0.00 0.00 43.02 42.67 3a2r s PHE 191 CO -0.04 -0.08 0.02 0.00 -1.46 0.00 0.00 175.22 173.66 3a2r s ALA 192 N 0.47 0.69 0.25 11.12 0.00 0.13 -0.80 121.76 133.62 3a2r s ALA 192 Ca -0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 51.96 51.69 3a2r s ALA 192 Cb -0.05 -0.82 0.46 0.00 0.00 0.00 0.00 23.12 22.71 3a2r s ALA 192 CO -0.02 -0.62 1.77 -0.22 0.00 0.00 0.00 175.76 176.67 3a2r h LYS 193 N 8.33 0.60 -4.42 0.00 1.63 -1.83 0.31 116.57 121.18 3a2r h LYS 193 Ca -0.18 -0.04 -0.33 0.00 -0.85 0.00 0.00 60.65 59.25 3a2r h LYS 193 Cb 1.12 -0.13 -0.28 0.00 -0.60 0.00 0.00 32.23 32.34 3a2r h LYS 193 CO 0.26 0.39 -0.76 0.71 -3.45 0.00 0.00 179.45 176.61 3a2r s TYR 194 N -6.00 0.56 0.00 1.91 1.51 -1.22 0.21 117.35 114.31 3a2r s TYR 194 Ca -0.12 -0.15 0.00 0.00 -1.01 0.00 0.00 57.07 55.79 3a2r s TYR 194 Cb 0.20 -0.35 0.00 0.00 -0.11 0.00 0.00 41.96 41.70 3a2r s TYR 194 CO 0.77 -0.02 0.00 0.00 -1.11 0.00 0.00 175.55 175.20 3a2r n ALA 195 N 2.76 0.00 -3.69 3.71 0.00 -0.86 -4.20 120.51 118.24 3a2r n ALA 195 Ca -0.14 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.19 3a2r n ALA 195 Cb 0.58 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.91 3a2r n ALA 195 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3a2r s ASP 196 N -0.67 -0.35 0.10 0.00 1.11 -1.26 -1.11 116.67 114.49 3a2r s ASP 196 Ca 0.00 0.81 0.05 0.00 0.18 0.00 0.00 52.55 53.60 3a2r s ASP 196 Cb 0.00 0.79 -0.04 0.00 1.07 0.00 0.00 42.92 44.74 3a2r s ASP 196 CO 0.00 -0.20 -0.01 -0.76 1.18 0.00 0.00 175.17 175.38 3a2r s LEU 197 N 1.66 3.39 0.00 1.23 1.02 -0.64 -1.39 118.68 123.95 3a2r s LEU 197 Ca -0.07 -0.23 -0.02 0.00 0.02 0.00 0.00 54.13 53.82 3a2r s LEU 197 Cb -0.10 -2.12 0.09 0.00 0.02 0.00 0.00 46.19 44.08 3a2r s LEU 197 CO -0.12 0.16 0.58 -0.46 0.02 0.00 0.00 176.35 176.53 3a2r n ASN 198 N 0.50 0.56 0.12 2.29 0.23 0.68 -0.54 115.26 119.11 3a2r n ASN 198 Ca -0.11 -1.53 0.13 0.00 -0.53 0.00 0.00 54.58 52.54 3a2r n ASN 198 Cb 0.52 -0.39 0.42 0.00 -2.08 0.00 0.00 39.78 38.25 3a2r n ASN 198 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 3a2r h THR 199 N -0.72 0.00 -0.36 5.53 1.35 -1.88 -1.22 112.91 115.61 3a2r h THR 199 Ca -0.19 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 3a2r h THR 199 Cb 0.65 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 3a2r h THR 199 CO 0.18 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 175.92 3a2r n ASP 200 N -2.34 2.63 -2.42 5.36 8.00 -1.26 -4.91 116.55 121.62 3a2r n ASP 200 Ca 0.05 -2.18 -0.19 0.00 0.71 0.00 0.00 54.79 53.17 3a2r n ASP 200 Cb 0.39 -0.39 0.01 0.00 -0.02 0.00 0.00 41.12 41.11 3a2r n ASP 200 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a2r n ALA 201 N 0.53 -0.71 -2.63 2.24 0.00 -0.46 -5.01 120.51 114.48 3a2r n ALA 201 Ca 0.14 0.21 -0.33 0.00 0.00 0.00 0.00 53.44 53.45 3a2r n ALA 201 Cb 0.49 -2.80 -0.05 0.00 0.00 0.00 0.00 19.45 17.08 3a2r n ALA 201 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3a2r s GLU 202 N -5.26 3.69 0.17 0.00 2.02 -1.26 -4.76 118.70 113.30 3a2r s GLU 202 Ca 0.14 0.06 -0.30 0.00 0.02 0.00 0.00 54.97 54.89 3a2r s GLU 202 Cb -0.06 -2.94 -0.08 0.00 0.10 0.00 0.00 34.13 31.15 3a2r s GLU 202 CO 0.17 0.53 1.21 0.50 0.02 0.00 0.00 175.26 177.69 3a2r s ARG 203 N -2.19 4.47 0.25 1.61 3.52 -1.26 -0.23 118.95 125.12 3a2r s ARG 203 Ca 0.36 1.88 0.05 0.00 -0.13 0.00 0.00 55.73 57.88 3a2r s ARG 203 Cb -0.13 -3.25 -0.05 0.00 -1.56 0.00 0.00 34.95 29.95 3a2r s ARG 203 CO 0.20 -0.13 -0.03 0.14 -0.81 0.00 0.00 175.30 174.67 3a2r s VAL 204 N 0.13 1.29 0.51 7.11 -7.23 -0.48 -4.87 120.40 116.86 3a2r s VAL 204 Ca 0.54 -2.07 -0.23 0.00 -1.81 0.00 0.00 61.98 58.41 3a2r s VAL 204 Cb -0.33 -2.36 -0.06 0.00 0.56 0.00 0.00 36.38 34.19 3a2r s VAL 204 CO 0.36 -0.34 1.38 0.00 -0.31 0.00 0.00 175.10 176.19 3a2r s ALA 205 N -3.25 2.98 0.48 1.32 0.00 -1.26 -4.43 121.76 117.60 3a2r s ALA 205 Ca 0.28 1.37 -0.22 0.00 0.00 0.00 0.00 51.96 53.39 3a2r s ALA 205 Cb 0.05 -3.57 -0.09 0.00 0.00 0.00 0.00 23.12 19.50 3a2r s ALA 205 CO 0.10 -1.28 0.84 0.28 0.00 0.00 0.00 175.76 175.69 3a2r n VAL 206 N -0.71 2.54 -2.13 0.00 0.31 -1.26 -2.33 118.33 114.76 3a2r n VAL 206 Ca 0.08 -0.50 -0.14 0.00 -0.01 0.00 0.00 64.34 63.77 3a2r n VAL 206 Cb 0.44 -0.97 -0.02 0.00 -0.91 0.00 0.00 33.84 32.39 3a2r n VAL 206 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3a2r n ASN 207 N 0.39 -4.48 -4.82 4.52 3.02 -1.26 -5.01 115.26 107.62 3a2r n ASN 207 Ca 0.11 0.05 -0.37 0.00 -0.03 0.00 0.00 54.58 54.34 3a2r n ASN 207 Cb 0.42 -3.57 -0.06 0.00 -0.61 0.00 0.00 39.78 35.97 3a2r n ASN 207 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3a2r s THR 208 N -2.69 4.65 0.14 3.41 2.01 -0.98 -5.02 115.64 117.16 3a2r s THR 208 Ca 0.00 1.21 -0.35 0.00 0.31 0.00 0.00 61.69 62.86 3a2r s THR 208 Cb 0.00 -3.87 -0.15 0.00 0.01 0.00 0.00 72.50 68.49 3a2r s THR 208 CO 0.00 0.34 1.43 0.00 -0.69 0.00 0.00 174.62 175.70 3a2r n ALA 209 N 1.08 0.29 -1.95 7.40 0.00 -1.26 -1.05 120.51 125.02 3a2r n ALA 209 Ca -0.05 0.47 -0.16 0.00 0.00 0.00 0.00 53.44 53.69 3a2r n ALA 209 Cb 0.51 -2.21 -0.04 0.00 0.00 0.00 0.00 19.45 17.71 3a2r n ALA 209 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3a2r n ASN 210 N 2.82 -4.56 -4.77 0.00 4.13 -1.26 -4.98 115.26 106.65 3a2r n ASN 210 Ca 0.17 0.25 -0.37 0.00 1.68 0.00 0.00 54.58 56.30 3a2r n ASN 210 Cb 0.25 -3.97 -0.01 0.00 -1.54 0.00 0.00 39.78 34.51 3a2r n ASN 210 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3a2r s ALA 211 N -2.60 3.01 -0.34 5.41 0.00 -0.21 -4.70 121.76 122.34 3a2r s ALA 211 Ca 0.00 0.97 0.02 0.00 0.00 0.00 0.00 51.96 52.95 3a2r s ALA 211 Cb 0.00 -3.39 0.09 0.00 0.00 0.00 0.00 23.12 19.81 3a2r s ALA 211 CO 0.00 -0.67 0.05 -1.01 0.00 0.00 0.00 175.76 174.12 3a2r s HIS 212 N -1.50 3.58 0.19 0.00 3.76 0.29 -4.93 115.29 116.68 3a2r s HIS 212 Ca 0.62 -2.62 -0.33 0.00 -0.15 0.00 0.00 55.06 52.59 3a2r s HIS 212 Cb -0.30 -2.71 -0.14 0.00 1.11 0.00 0.00 32.58 30.54 3a2r s HIS 212 CO 0.37 -0.92 1.50 -2.30 -0.85 0.00 0.00 174.74 172.53 3a2r n PRO 213 N 4.40 2.05 -4.43 8.40 -0.02 -1.26 -1.63 135.00 142.51 3a2r n PRO 213 Ca -0.03 0.74 -0.21 0.00 -2.02 0.00 0.00 63.50 61.98 3a2r n PRO 213 Cb 0.42 -2.45 -0.10 0.00 -0.02 0.00 0.00 33.50 31.34 3a2r n PRO 213 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3a2r s VAL 214 N 0.50 1.66 0.09 -1.45 -7.23 -0.27 -1.20 120.40 112.51 3a2r s VAL 214 Ca 0.75 -2.13 0.05 0.00 -1.81 0.00 0.00 61.98 58.84 3a2r s VAL 214 Cb -0.68 -2.45 -0.03 0.00 0.56 0.00 0.00 36.38 33.77 3a2r s VAL 214 CO 0.43 -0.30 -0.14 -0.75 -0.31 0.00 0.00 175.10 174.03 3a2r s LYS 215 N -3.72 0.91 -1.30 4.82 2.20 0.15 -2.02 119.74 120.77 3a2r s LYS 215 Ca 0.30 -1.09 -0.06 0.00 -0.36 0.00 0.00 55.97 54.76 3a2r s LYS 215 Cb 0.04 -0.86 -0.00 0.00 -1.51 0.00 0.00 37.83 35.50 3a2r s LYS 215 CO 0.12 0.18 0.59 -0.25 -0.36 0.00 0.00 175.35 175.63 3a2r n ASP 216 N 0.94 -1.95 -4.68 1.43 8.00 0.13 -0.13 116.55 120.29 3a2r n ASP 216 Ca -0.19 -0.96 -0.43 0.00 0.71 0.00 0.00 54.79 53.93 3a2r n ASP 216 Cb 0.55 -3.40 -0.02 0.00 -0.02 0.00 0.00 41.12 38.23 3a2r n ASP 216 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3a2r s TYR 217 N -3.75 3.23 -0.00 1.24 5.04 0.11 -4.15 117.35 119.06 3a2r s TYR 217 Ca 0.14 1.32 0.00 0.00 -2.44 0.00 0.00 57.07 56.09 3a2r s TYR 217 Cb -0.05 -3.35 0.00 0.00 0.35 0.00 0.00 41.96 38.92 3a2r s TYR 217 CO 0.86 -0.97 -0.01 1.14 -1.34 0.00 0.00 175.55 175.24 3a2r s GLN 218 N 2.58 0.08 -0.03 4.97 -2.07 0.01 0.22 119.66 125.43 3a2r s GLN 218 Ca 0.52 -0.00 0.04 0.00 -1.82 0.00 0.00 55.36 54.09 3a2r s GLN 218 Cb -0.21 -0.13 -0.00 0.00 -1.09 0.00 0.00 33.01 31.58 3a2r s GLN 218 CO 0.17 -0.01 -0.14 0.08 -1.32 0.00 0.00 175.29 174.07 3a2r s VAL 219 N 0.17 1.11 -0.02 3.63 1.01 -0.64 -1.51 120.40 124.16 3a2r s VAL 219 Ca -0.01 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.44 3a2r s VAL 219 Cb -0.03 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 3a2r s VAL 219 CO -0.00 0.33 -0.13 -1.00 0.00 0.00 0.00 175.10 174.29 3a2r s HIS 220 N -0.06 1.27 -0.04 5.22 3.76 0.51 -1.84 115.29 124.11 3a2r s HIS 220 Ca 0.00 -0.29 0.01 0.00 -0.15 0.00 0.00 55.06 54.63 3a2r s HIS 220 Cb -0.08 -0.84 0.02 0.00 1.11 0.00 0.00 32.58 32.79 3a2r s HIS 220 CO 0.01 -0.07 -0.02 0.50 -0.85 0.00 0.00 174.74 174.31 3a2r s ARG 221 N -0.13 0.54 -0.10 1.40 3.52 0.68 -0.15 118.95 124.72 3a2r s ARG 221 Ca 0.01 -0.00 0.04 0.00 -0.13 0.00 0.00 55.73 55.65 3a2r s ARG 221 Cb -0.07 -0.65 -0.00 0.00 -1.56 0.00 0.00 34.95 32.66 3a2r s ARG 221 CO 0.00 -0.11 -0.24 0.08 -0.81 0.00 0.00 175.30 174.22 3a2r s VAL 222 N 0.99 2.08 0.05 7.11 1.01 -0.40 0.18 120.40 131.42 3a2r s VAL 222 Ca -0.10 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 60.91 3a2r s VAL 222 Cb -0.14 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 3a2r s VAL 222 CO -0.01 0.56 -0.14 -0.69 0.00 0.00 0.00 175.10 174.82 3a2r s VAL 223 N 0.28 1.14 -0.07 2.92 1.01 0.12 -1.25 120.40 124.55 3a2r s VAL 223 Ca -0.17 -1.11 -0.18 0.00 0.00 0.00 0.00 61.98 60.52 3a2r s VAL 223 Cb -0.17 -1.05 0.04 0.00 0.00 0.00 0.00 36.38 35.19 3a2r s VAL 223 CO 0.08 -0.06 0.42 0.00 0.00 0.00 0.00 175.10 175.54 3a2r s ALA 224 N -0.98 -1.05 0.00 5.51 0.00 -0.52 0.28 121.76 124.99 3a2r s ALA 224 Ca 0.01 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.76 3a2r s ALA 224 Cb -0.09 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.84 3a2r s ALA 224 CO 0.02 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.92 3a2r n GLY 225 N 1.72 -0.73 2.77 0.00 0.00 -0.02 -0.74 105.19 108.18 3a2r n GLY 225 Ca -0.18 -0.39 -0.17 0.00 0.00 0.00 0.00 46.02 45.27 3a2r n GLY 225 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3a2r s TYR 226 N -3.82 0.19 -0.48 1.61 5.04 0.33 -0.70 117.35 119.51 3a2r s TYR 226 Ca 0.00 0.09 0.03 0.00 -2.44 0.00 0.00 57.07 54.75 3a2r s TYR 226 Cb 0.00 -0.39 0.16 0.00 0.35 0.00 0.00 41.96 42.08 3a2r s TYR 226 CO 0.00 -0.14 0.35 0.34 -1.34 0.00 0.00 175.55 174.75 3a2r s ASP 227 N 1.35 2.82 0.04 4.32 2.15 0.13 -0.82 116.67 126.65 3a2r s ASP 227 Ca -0.05 -3.09 -0.27 0.00 0.43 0.00 0.00 52.55 49.56 3a2r s ASP 227 Cb -0.13 -0.84 0.09 0.00 -0.30 0.00 0.00 42.92 41.75 3a2r s ASP 227 CO -0.03 -0.18 0.86 0.00 -0.17 0.00 0.00 175.17 175.65 3a2r s ALA 228 N -0.16 -1.76 -1.42 3.66 0.00 -0.76 -4.66 121.76 116.67 3a2r s ALA 228 Ca 0.27 0.79 -0.03 0.00 0.00 0.00 0.00 51.96 52.99 3a2r s ALA 228 Cb -0.06 0.52 0.02 0.00 0.00 0.00 0.00 23.12 23.60 3a2r s ALA 228 CO -0.13 -0.76 0.57 0.09 0.00 0.00 0.00 175.76 175.53 3a2r n ASN 229 N -0.30 -1.17 0.00 0.00 3.02 -1.26 -0.82 115.26 114.73 3a2r n ASN 229 Ca -0.09 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 3a2r n ASN 229 Cb 0.62 -3.38 0.00 0.00 -0.61 0.00 0.00 39.78 36.41 3a2r n ASN 229 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3a2r n ASP 230 N -2.97 0.00 -4.35 6.41 8.00 -1.26 -4.97 116.55 117.41 3a2r n ASP 230 Ca -0.25 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 54.93 3a2r n ASP 230 Cb 0.65 -0.47 -0.15 0.00 -0.02 0.00 0.00 41.12 41.14 3a2r n ASP 230 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3a2r s LEU 231 N 0.00 2.48 -0.07 0.64 2.96 0.00 0.49 118.68 125.20 3a2r s LEU 231 Ca 0.00 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 3a2r s LEU 231 Cb 0.00 -1.51 0.02 0.00 0.50 0.00 0.00 46.19 45.20 3a2r s LEU 231 CO 0.00 0.23 -0.06 -0.47 -1.32 0.00 0.00 176.35 174.73 3a2r s TYR 232 N -0.07 1.06 -0.03 5.38 5.04 0.43 -1.83 117.35 127.33 3a2r s TYR 232 Ca -0.04 -0.39 -0.02 0.00 -2.44 0.00 0.00 57.07 54.18 3a2r s TYR 232 Cb -0.14 -0.90 0.02 0.00 0.35 0.00 0.00 41.96 41.28 3a2r s TYR 232 CO 0.04 -0.30 0.07 0.54 -1.34 0.00 0.00 175.55 174.57 3a2r s VAL 233 N 1.17 -0.02 -0.00 3.14 0.11 -0.00 -0.03 120.40 124.76 3a2r s VAL 233 Ca -0.06 0.06 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 3a2r s VAL 233 Cb -0.14 -0.12 0.00 0.00 -1.53 0.00 0.00 36.38 34.59 3a2r s VAL 233 CO -0.01 0.03 -0.02 -0.55 -3.33 0.00 0.00 175.10 171.21 3a2r s SER 234 N 0.39 0.33 -0.05 3.54 0.15 -0.06 -0.51 113.70 117.49 3a2r s SER 234 Ca -0.03 -0.05 0.01 0.00 0.70 0.00 0.00 55.95 56.59 3a2r s SER 234 Cb -0.04 -0.05 0.02 0.00 -1.71 0.00 0.00 66.02 64.23 3a2r s SER 234 CO -0.01 0.02 -0.06 0.68 1.20 0.00 0.00 173.24 175.07 3a2r s VAL 235 N 0.04 0.65 0.02 4.45 -7.23 0.08 -0.87 120.40 117.54 3a2r s VAL 235 Ca -0.00 -0.18 0.07 0.00 -1.81 0.00 0.00 61.98 60.05 3a2r s VAL 235 Cb -0.02 -0.65 -0.02 0.00 0.56 0.00 0.00 36.38 36.24 3a2r s VAL 235 CO -0.00 0.25 -0.21 0.00 -0.31 0.00 0.00 175.10 174.83 3a2r s ALA 236 N 0.89 1.75 -0.04 1.32 0.00 0.19 -1.44 121.76 124.43 3a2r s ALA 236 Ca -0.11 -1.00 0.06 0.00 0.00 0.00 0.00 51.96 50.90 3a2r s ALA 236 Cb -0.15 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 3a2r s ALA 236 CO 0.01 0.41 -0.21 0.20 0.00 0.00 0.00 175.76 176.16 3a2r s GLY 237 N -0.94 1.08 -0.01 0.00 0.00 -0.38 -1.89 107.32 105.18 3a2r s GLY 237 Ca 0.08 -0.89 0.03 0.00 0.00 0.00 0.00 44.72 43.94 3a2r s GLY 237 CO 0.01 -0.61 -0.08 1.62 0.00 0.00 0.00 173.10 174.04 3a2r s GLN 238 N -0.24 0.73 -0.03 2.90 0.74 0.92 -1.28 119.66 123.40 3a2r s GLN 238 Ca 0.01 -0.29 0.01 0.00 0.05 0.00 0.00 55.36 55.14 3a2r s GLN 238 Cb -0.11 -0.70 0.02 0.00 1.10 0.00 0.00 33.01 33.32 3a2r s GLN 238 CO 0.01 0.16 -0.01 -0.47 -0.55 0.00 0.00 175.29 174.43 3a2r s TYR 239 N -0.09 0.41 -0.05 1.67 5.04 0.78 -1.09 117.35 124.04 3a2r s TYR 239 Ca 0.02 -0.05 0.04 0.00 -2.44 0.00 0.00 57.07 54.63 3a2r s TYR 239 Cb -0.05 -0.44 -0.00 0.00 0.35 0.00 0.00 41.96 41.82 3a2r s TYR 239 CO -0.00 -0.13 -0.16 -1.21 -1.34 0.00 0.00 175.55 172.71 3a2r s GLU 240 N 0.86 1.73 -0.03 4.97 2.02 0.25 -0.37 118.70 128.13 3a2r s GLU 240 Ca -0.09 -0.56 -0.06 0.00 0.02 0.00 0.00 54.97 54.28 3a2r s GLU 240 Cb -0.13 -1.49 0.01 0.00 0.10 0.00 0.00 34.13 32.62 3a2r s GLU 240 CO -0.01 0.20 0.14 0.00 0.02 0.00 0.00 175.26 175.60 3a2r s ALA 241 N 0.15 -0.33 0.19 5.21 0.00 -0.57 -0.01 121.76 126.41 3a2r s ALA 241 Ca -0.06 0.17 -0.18 0.00 0.00 0.00 0.00 51.96 51.89 3a2r s ALA 241 Cb -0.12 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 22.93 3a2r s ALA 241 CO 0.02 -0.12 0.53 0.00 0.00 0.00 0.00 175.76 176.19 3a2r s ALA 242 N -0.52 -1.01 -0.05 0.00 0.00 -0.46 -0.81 121.76 118.92 3a2r s ALA 242 Ca -0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 51.96 51.74 3a2r s ALA 242 Cb -0.04 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.89 3a2r s ALA 242 CO 0.01 -0.80 0.08 0.15 0.00 0.00 0.00 175.76 175.19 3a2r s LYS 243 N -3.86 3.13 0.03 0.00 1.02 0.82 -0.02 119.74 120.87 3a2r s LYS 243 Ca 0.08 -0.39 -0.35 0.00 0.02 0.00 0.00 55.97 55.33 3a2r s LYS 243 Cb -0.01 -2.92 -0.14 0.00 -0.52 0.00 0.00 37.83 34.25 3a2r s LYS 243 CO -0.04 0.69 1.65 -1.71 -0.92 0.00 0.00 175.35 175.02 3a2r n ASN 244 N 1.56 2.94 -0.12 2.83 2.85 0.17 0.33 115.26 125.82 3a2r n ASN 244 Ca -0.16 1.05 0.07 0.00 -0.11 0.00 0.00 54.58 55.44 3a2r n ASN 244 Cb 0.53 -1.35 0.10 0.00 1.24 0.00 0.00 39.78 40.30 3a2r n ASN 244 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 3a2r n ASN 245 N 4.48 1.93 -4.76 1.20 5.15 -0.34 -0.50 115.26 122.43 3a2r n ASN 245 Ca 0.20 -2.76 -0.40 0.00 -0.60 0.00 0.00 54.58 51.02 3a2r n ASN 245 Cb 0.26 -0.34 -0.05 0.00 -0.53 0.00 0.00 39.78 39.12 3a2r n ASN 245 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 3a2r s GLU 246 N -2.20 4.47 -0.08 1.20 2.12 -1.16 -4.77 118.70 118.29 3a2r s GLU 246 Ca 0.23 1.02 -0.30 0.00 0.36 0.00 0.00 54.97 56.29 3a2r s GLU 246 Cb 0.20 -3.34 -0.03 0.00 0.26 0.00 0.00 34.13 31.23 3a2r s GLU 246 CO 0.02 0.37 1.25 0.14 -0.54 0.00 0.00 175.26 176.50 3a2r s VAL 247 N -0.33 4.18 -5.00 3.70 -7.23 -1.26 -3.72 120.40 110.74 3a2r s VAL 247 Ca 0.37 1.49 0.00 0.00 -1.81 0.00 0.00 61.98 62.03 3a2r s VAL 247 Cb -0.21 -3.96 0.00 0.00 0.56 0.00 0.00 36.38 32.77 3a2r s VAL 247 CO 0.23 -0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.59 3a2r n GLY 248 N 3.48 -1.43 0.29 2.32 0.00 -1.26 -4.99 105.19 103.60 3a2r n GLY 248 Ca 0.12 -1.36 0.17 0.00 0.00 0.00 0.00 46.02 44.95 3a2r n GLY 248 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3a2r h SER 249 N 0.00 0.00 -0.27 1.61 4.64 -2.06 -3.09 113.55 114.39 3a2r h SER 249 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3a2r h SER 249 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3a2r h SER 249 CO 0.00 0.06 0.00 2.30 -0.87 0.00 0.00 176.83 178.32 3a2r n ILE 250 N -3.38 0.51 -1.67 0.95 -5.35 -1.26 -5.00 119.36 104.17 3a2r n ILE 250 Ca -0.02 -0.76 -0.42 0.00 -0.27 0.00 0.00 62.75 61.29 3a2r n ILE 250 Cb 0.20 0.90 0.01 0.00 -1.74 0.00 0.00 39.64 39.01 3a2r n ILE 250 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 3a2r n LYS 251 N 0.93 1.75 0.00 6.28 4.81 -1.17 -2.07 118.16 128.68 3a2r n LYS 251 Ca 0.13 0.62 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 3a2r n LYS 251 Cb 0.45 -2.24 0.00 0.00 0.02 0.00 0.00 35.03 33.26 3a2r n LYS 251 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3a2r n GLY 252 N 0.94 2.56 3.83 3.14 0.00 0.34 -4.95 105.19 111.06 3a2r n GLY 252 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 3a2r n GLY 252 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a2r s LYS 253 N -0.17 3.70 -0.23 1.61 1.02 -0.88 -4.60 119.74 120.18 3a2r s LYS 253 Ca 0.00 1.04 -0.14 0.00 0.02 0.00 0.00 55.97 56.89 3a2r s LYS 253 Cb 0.00 -2.09 -0.04 0.00 -0.52 0.00 0.00 37.83 35.17 3a2r s LYS 253 CO 0.00 -0.49 0.30 0.21 -0.92 0.00 0.00 175.35 174.45 3a2r s LYS 254 N -4.13 4.11 -0.04 1.68 2.36 -1.26 0.41 119.74 122.87 3a2r s LYS 254 Ca 0.60 -0.01 -0.11 0.00 -2.55 0.00 0.00 55.97 53.90 3a2r s LYS 254 Cb -0.12 -3.55 -0.05 0.00 -1.05 0.00 0.00 37.83 33.05 3a2r s LYS 254 CO 0.35 -0.03 0.30 -1.01 1.55 0.00 0.00 175.35 176.51 3a2r s HIS 255 N 1.31 3.67 -0.02 4.03 3.76 0.97 -1.05 115.29 127.96 3a2r s HIS 255 Ca 0.14 0.79 -0.30 0.00 -0.15 0.00 0.00 55.06 55.55 3a2r s HIS 255 Cb -0.14 -2.14 0.07 0.00 1.11 0.00 0.00 32.58 31.48 3a2r s HIS 255 CO 0.07 0.67 0.69 -1.83 -0.85 0.00 0.00 174.74 173.49 3a2r s GLU 256 N -1.14 1.06 -0.06 1.40 -1.05 0.18 -1.35 118.70 117.75 3a2r s GLU 256 Ca 0.21 0.13 -0.12 0.00 -0.15 0.00 0.00 54.97 55.04 3a2r s GLU 256 Cb -0.15 0.50 0.02 0.00 -0.44 0.00 0.00 34.13 34.06 3a2r s GLU 256 CO 0.10 -0.36 0.28 -1.14 0.95 0.00 0.00 175.26 175.09 3a2r s GLN 257 N -1.62 0.49 -0.11 -4.83 0.74 0.99 -1.60 119.66 113.73 3a2r s GLN 257 Ca -0.08 0.05 0.00 0.00 0.05 0.00 0.00 55.36 55.38 3a2r s GLN 257 Cb -0.00 0.22 -0.02 0.00 1.10 0.00 0.00 33.01 34.31 3a2r s GLN 257 CO 0.06 -0.11 -0.11 0.99 -0.55 0.00 0.00 175.29 175.57 3a2r s THR 258 N -0.65 3.31 0.02 -0.34 2.01 -1.26 -0.59 115.64 118.14 3a2r s THR 258 Ca -0.07 -0.59 0.03 0.00 0.31 0.00 0.00 61.69 61.37 3a2r s THR 258 Cb -0.04 -2.38 -0.01 0.00 0.01 0.00 0.00 72.50 70.08 3a2r s THR 258 CO 0.02 0.55 -0.10 -1.10 -0.69 0.00 0.00 174.62 173.30 3a2r s GLN 259 N -0.08 0.73 0.12 4.92 -0.21 -0.25 -0.97 119.66 123.93 3a2r s GLN 259 Ca -0.01 -0.52 0.05 0.00 0.02 0.00 0.00 55.36 54.90 3a2r s GLN 259 Cb -0.14 -0.69 -0.04 0.00 1.00 0.00 0.00 33.01 33.15 3a2r s GLN 259 CO 0.03 0.18 -0.12 0.14 -2.12 0.00 0.00 175.29 173.40 3a2r s VAL 260 N -0.60 1.19 0.01 1.09 -7.23 -0.10 -0.06 120.40 114.71 3a2r s VAL 260 Ca 0.01 -1.75 -0.11 0.00 -1.81 0.00 0.00 61.98 58.31 3a2r s VAL 260 Cb -0.06 -1.53 0.01 0.00 0.56 0.00 0.00 36.38 35.36 3a2r s VAL 260 CO 0.00 -0.51 0.23 0.00 -0.31 0.00 0.00 175.10 174.51 3a2r s ALA 261 N -2.42 -0.52 -0.05 1.32 0.00 -0.79 -0.87 121.76 118.43 3a2r s ALA 261 Ca 0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 51.96 52.00 3a2r s ALA 261 Cb -0.03 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.28 3a2r s ALA 261 CO 0.02 -0.29 0.12 0.00 0.00 0.00 0.00 175.76 175.60 3a2r s ALA 262 N -1.85 -0.26 -0.00 0.00 0.00 0.20 -0.64 121.76 119.21 3a2r s ALA 262 Ca -0.10 0.42 0.04 0.00 0.00 0.00 0.00 51.96 52.31 3a2r s ALA 262 Cb -0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 3a2r s ALA 262 CO 0.00 -0.08 -0.13 0.99 0.00 0.00 0.00 175.76 176.54 3a2r s THR 263 N 0.40 1.00 -0.02 0.00 2.01 -0.05 0.70 115.64 119.68 3a2r s THR 263 Ca -0.03 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 61.39 3a2r s THR 263 Cb -0.04 -0.85 0.00 0.00 0.01 0.00 0.00 72.50 71.63 3a2r s THR 263 CO -0.02 0.24 -0.07 0.00 -0.69 0.00 0.00 174.62 174.08 3a2r s ALA 264 N -0.38 0.70 0.03 7.40 0.00 0.85 -0.88 121.76 129.48 3a2r s ALA 264 Ca 0.04 -0.25 0.02 0.00 0.00 0.00 0.00 51.96 51.78 3a2r s ALA 264 Cb -0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 3a2r s ALA 264 CO -0.00 0.11 -0.08 0.00 0.00 0.00 0.00 175.76 175.79 3a2r s ALA 265 N 0.22 0.58 -0.06 0.00 0.00 0.96 -0.51 121.76 122.96 3a2r s ALA 265 Ca -0.03 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.34 3a2r s ALA 265 Cb -0.08 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.04 3a2r s ALA 265 CO 0.00 0.04 -0.11 -0.47 0.00 0.00 0.00 175.76 175.22 3a2r s TYR 266 N -0.97 1.33 -0.32 0.00 5.04 -1.06 -0.43 117.35 120.94 3a2r s TYR 266 Ca -0.06 -0.48 -0.22 0.00 -2.44 0.00 0.00 57.07 53.88 3a2r s TYR 266 Cb -0.07 -1.00 -0.00 0.00 0.35 0.00 0.00 41.96 41.24 3a2r s TYR 266 CO 0.00 -0.26 0.72 0.50 -1.34 0.00 0.00 175.55 175.17 3a2r s ARG 267 N 0.73 3.87 -0.92 4.97 3.52 0.18 -3.25 118.95 128.05 3a2r s ARG 267 Ca -0.14 0.39 -0.02 0.00 -0.13 0.00 0.00 55.73 55.83 3a2r s ARG 267 Cb -0.15 -3.75 0.24 0.00 -1.56 0.00 0.00 34.95 29.73 3a2r s ARG 267 CO 0.03 -0.68 0.90 1.19 -0.81 0.00 0.00 175.30 175.93 3a2r n PHE 268 N 6.12 4.06 0.00 5.12 3.72 0.19 -4.86 117.46 131.81 3a2r n PHE 268 Ca 0.01 -3.93 0.00 0.00 -0.05 0.00 0.00 57.45 53.48 3a2r n PHE 268 Cb 0.48 -1.16 0.00 0.00 -0.94 0.00 0.00 39.48 37.87 3a2r n PHE 268 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a2r n GLY 269 N 2.08 1.83 0.51 1.37 0.00 -1.26 -2.20 105.19 107.52 3a2r n GLY 269 Ca 0.23 0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.36 3a2r n GLY 269 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a2r n ASN 270 N 6.88 2.01 -4.53 1.61 3.02 -1.26 -4.98 115.26 118.01 3a2r n ASN 270 Ca 0.00 -1.50 -0.34 0.00 -0.03 0.00 0.00 54.58 52.71 3a2r n ASN 270 Cb 0.00 0.16 -0.12 0.00 -0.61 0.00 0.00 39.78 39.21 3a2r n ASN 270 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3a2r s VAL 271 N -1.42 3.77 -0.39 2.41 1.01 -0.93 -1.14 120.40 123.71 3a2r s VAL 271 Ca 0.16 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.73 3a2r s VAL 271 Cb 0.12 -2.60 0.12 0.00 0.00 0.00 0.00 36.38 34.02 3a2r s VAL 271 CO 0.25 0.54 0.19 -0.89 0.00 0.00 0.00 175.10 175.19 3a2r s THR 272 N -0.14 1.19 0.50 3.92 2.01 -0.77 0.53 115.64 122.88 3a2r s THR 272 Ca 0.02 -2.15 -0.23 0.00 0.31 0.00 0.00 61.69 59.64 3a2r s THR 272 Cb -0.13 -1.85 -0.06 0.00 0.01 0.00 0.00 72.50 70.46 3a2r s THR 272 CO 0.03 -0.83 1.37 -2.84 -0.69 0.00 0.00 174.62 171.65 3a2r s PRO 273 N 0.79 3.42 -0.04 4.92 0.02 -1.20 -2.19 135.00 140.73 3a2r s PRO 273 Ca 0.15 2.26 -0.06 0.00 0.02 0.00 0.00 61.00 63.38 3a2r s PRO 273 Cb -0.22 -2.44 0.01 0.00 0.02 0.00 0.00 34.50 31.87 3a2r s PRO 273 CO -0.07 -0.97 0.14 0.50 -0.33 0.00 0.00 177.00 176.27 3a2r s ARG 274 N -2.69 0.26 0.00 5.54 3.52 0.16 -2.55 118.95 123.19 3a2r s ARG 274 Ca 0.66 0.03 0.02 0.00 -0.13 0.00 0.00 55.73 56.31 3a2r s ARG 274 Cb -0.41 0.12 -0.01 0.00 -1.56 0.00 0.00 34.95 33.09 3a2r s ARG 274 CO 0.50 -0.05 -0.07 0.54 -0.81 0.00 0.00 175.30 175.41 3a2r s VAL 275 N -0.34 0.58 0.02 7.11 0.11 0.34 -1.07 120.40 127.14 3a2r s VAL 275 Ca -0.04 -0.39 0.02 0.00 -2.93 0.00 0.00 61.98 58.64 3a2r s VAL 275 Cb -0.03 -0.50 -0.02 0.00 -1.53 0.00 0.00 36.38 34.31 3a2r s VAL 275 CO 0.01 0.11 -0.07 -0.44 -3.33 0.00 0.00 175.10 171.37 3a2r s SER 276 N -0.32 0.77 0.00 3.54 0.01 0.14 -0.11 113.70 117.74 3a2r s SER 276 Ca 0.02 -0.35 0.03 0.00 1.31 0.00 0.00 55.95 56.96 3a2r s SER 276 Cb -0.03 -0.01 -0.01 0.00 0.21 0.00 0.00 66.02 66.17 3a2r s SER 276 CO -0.00 -0.08 -0.09 -0.47 0.41 0.00 0.00 173.24 173.01 3a2r s TYR 277 N -0.81 0.80 0.01 2.43 6.14 0.22 -1.44 117.35 124.70 3a2r s TYR 277 Ca -0.04 -0.18 -0.02 0.00 0.64 0.00 0.00 57.07 57.46 3a2r s TYR 277 Cb -0.06 -0.51 -0.01 0.00 0.42 0.00 0.00 41.96 41.80 3a2r s TYR 277 CO 0.00 -0.01 0.03 0.00 0.64 0.00 0.00 175.55 176.21 3a2r s ALA 278 N -0.33 -0.04 -0.04 3.97 0.00 0.47 0.62 121.76 126.40 3a2r s ALA 278 Ca 0.02 -0.38 -0.02 0.00 0.00 0.00 0.00 51.96 51.58 3a2r s ALA 278 Cb -0.04 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.22 3a2r s ALA 278 CO -0.00 -0.16 0.10 -1.58 0.00 0.00 0.00 175.76 174.11 3a2r s HIS 279 N -1.31 -0.09 -0.21 0.00 5.04 -0.05 -0.30 115.29 118.37 3a2r s HIS 279 Ca -0.14 0.31 -0.05 0.00 -1.54 0.00 0.00 55.06 53.63 3a2r s HIS 279 Cb -0.08 -0.09 -0.02 0.00 0.04 0.00 0.00 32.58 32.43 3a2r s HIS 279 CO -0.00 -0.11 0.01 0.20 -2.34 0.00 0.00 174.74 172.50 3a2r s GLY 280 N 0.79 1.72 0.93 1.59 0.00 -0.32 -0.93 107.32 111.10 3a2r s GLY 280 Ca -0.06 -1.04 -0.12 0.00 0.00 0.00 0.00 44.72 43.50 3a2r s GLY 280 CO -0.03 0.32 1.13 -1.36 0.00 0.00 0.00 173.10 173.16 3a2r s PHE 281 N 1.18 2.43 0.19 1.90 0.08 -0.14 -1.94 117.98 121.69 3a2r s PHE 281 Ca 0.03 0.86 -0.33 0.00 0.12 0.00 0.00 56.93 57.61 3a2r s PHE 281 Cb -0.14 -3.38 -0.14 0.00 -0.57 0.00 0.00 43.02 38.79 3a2r s PHE 281 CO 0.02 -2.46 1.53 1.63 -0.10 0.00 0.00 175.22 175.84 3a2r n LYS 282 N -3.83 2.17 -2.67 0.44 5.02 -1.26 -4.23 118.16 113.80 3a2r n LYS 282 Ca 0.06 0.78 -0.37 0.00 -2.02 0.00 0.00 58.31 56.76 3a2r n LYS 282 Cb 0.59 -2.52 -0.05 0.00 -0.02 0.00 0.00 35.03 33.03 3a2r n LYS 282 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3a2r s ALA 283 N 0.58 3.18 -0.26 7.82 0.00 -0.97 -4.68 121.76 127.43 3a2r s ALA 283 Ca 0.75 0.62 -0.19 0.00 0.00 0.00 0.00 51.96 53.13 3a2r s ALA 283 Cb -0.65 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.22 3a2r s ALA 283 CO 0.42 0.01 0.57 0.21 0.00 0.00 0.00 175.76 176.97 3a2r s LYS 284 N -2.16 4.06 -0.15 0.00 2.20 -0.63 0.11 119.74 123.18 3a2r s LYS 284 Ca 0.52 0.41 0.00 0.00 -0.36 0.00 0.00 55.97 56.54 3a2r s LYS 284 Cb -0.21 -3.66 0.02 0.00 -1.51 0.00 0.00 37.83 32.47 3a2r s LYS 284 CO 0.27 -0.40 -0.15 0.08 -0.36 0.00 0.00 175.35 174.78 3a2r s VAL 285 N 2.42 1.63 -1.40 4.02 1.01 0.02 -0.65 120.40 127.46 3a2r s VAL 285 Ca 0.24 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.48 3a2r s VAL 285 Cb -0.15 -1.52 0.04 0.00 0.00 0.00 0.00 36.38 34.74 3a2r s VAL 285 CO 0.09 0.47 0.85 0.59 0.00 0.00 0.00 175.10 177.10 3a2r n ASN 286 N 4.75 -2.98 0.00 3.32 3.02 -1.18 -1.98 115.26 120.21 3a2r n ASN 286 Ca -0.17 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 3a2r n ASN 286 Cb 0.50 -4.06 0.00 0.00 -0.61 0.00 0.00 39.78 35.61 3a2r n ASN 286 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a2r n GLY 287 N -1.64 0.68 3.08 7.41 0.00 -0.22 -4.68 105.19 109.82 3a2r n GLY 287 Ca -0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 3a2r n GLY 287 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a2r s VAL 288 N -2.97 1.42 0.11 1.61 1.01 -0.84 -4.99 120.40 115.74 3a2r s VAL 288 Ca 0.00 -0.64 -0.36 0.00 0.00 0.00 0.00 61.98 60.99 3a2r s VAL 288 Cb 0.00 -1.27 -0.17 0.00 0.00 0.00 0.00 36.38 34.94 3a2r s VAL 288 CO 0.00 0.42 1.18 0.29 0.00 0.00 0.00 175.10 176.99 3a2r n LYS 289 N 3.76 0.87 -3.64 2.72 5.02 -1.26 -0.80 118.16 124.84 3a2r n LYS 289 Ca -0.22 0.31 -0.28 0.00 -2.02 0.00 0.00 58.31 56.11 3a2r n LYS 289 Cb 0.52 -1.84 -0.16 0.00 -0.02 0.00 0.00 35.03 33.53 3a2r n LYS 289 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3a2r s ASP 290 N 0.14 3.14 0.00 4.39 -1.08 0.30 -4.83 116.67 118.73 3a2r s ASP 290 Ca 0.81 -1.05 0.29 0.00 -0.52 0.00 0.00 52.55 52.08 3a2r s ASP 290 Cb -0.98 -0.47 1.39 0.00 -1.46 0.00 0.00 42.92 41.40 3a2r s ASP 290 CO 0.51 -0.38 1.93 0.00 0.52 0.00 0.00 175.17 177.75 3a2r n ALA 291 N 5.14 2.62 0.21 3.66 0.00 -1.26 -2.28 120.51 128.60 3a2r n ALA 291 Ca -0.06 -0.34 0.07 0.00 0.00 0.00 0.00 53.44 53.10 3a2r n ALA 291 Cb 0.45 -1.31 0.57 0.00 0.00 0.00 0.00 19.45 19.16 3a2r n ALA 291 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3a2r h ASN 292 N 1.33 0.08 -0.55 0.00 2.35 -1.92 -2.84 115.58 114.02 3a2r h ASN 292 Ca 0.00 -0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.57 3a2r h ASN 292 Cb 0.28 -0.02 -0.10 0.00 0.05 0.00 0.00 38.32 38.53 3a2r h ASN 292 CO 0.00 0.10 0.22 -1.22 -1.65 0.00 0.00 177.43 174.89 3a2r n TYR 293 N -4.47 1.81 -3.93 1.19 4.02 -1.17 -3.63 117.16 110.98 3a2r n TYR 293 Ca -0.02 -0.96 -0.32 0.00 -0.01 0.00 0.00 57.90 56.59 3a2r n TYR 293 Cb 0.13 -0.56 -0.05 0.00 -0.02 0.00 0.00 39.34 38.84 3a2r n TYR 293 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 3a2r s GLN 294 N -2.28 3.38 0.17 -0.72 0.74 -1.08 -4.33 119.66 115.54 3a2r s GLN 294 Ca 0.39 -0.41 -0.20 0.00 0.05 0.00 0.00 55.36 55.19 3a2r s GLN 294 Cb 0.32 -3.03 0.05 0.00 1.10 0.00 0.00 33.01 31.45 3a2r s GLN 294 CO 0.10 0.64 0.56 1.52 -0.55 0.00 0.00 175.29 177.55 3a2r s TYR 295 N -1.40 -0.36 0.02 1.67 1.13 -0.82 0.14 117.35 117.73 3a2r s TYR 295 Ca 0.30 0.09 0.01 0.00 -1.41 0.00 0.00 57.07 56.06 3a2r s TYR 295 Cb -0.13 0.49 -0.01 0.00 -1.10 0.00 0.00 41.96 41.21 3a2r s TYR 295 CO 0.23 -0.87 -0.05 -0.51 -2.51 0.00 0.00 175.55 171.84 3a2r s ASP 296 N -2.80 0.52 -0.13 -0.18 1.01 0.09 -1.17 116.67 114.01 3a2r s ASP 296 Ca 0.04 -0.32 -0.15 0.00 0.71 0.00 0.00 52.55 52.82 3a2r s ASP 296 Cb -0.01 0.01 0.04 0.00 1.01 0.00 0.00 42.92 43.97 3a2r s ASP 296 CO -0.09 -0.12 0.41 0.00 0.21 0.00 0.00 175.17 175.58 3a2r s GLN 297 N -0.90 0.54 0.02 8.23 -2.07 0.59 -0.73 119.66 125.34 3a2r s GLN 297 Ca -0.06 0.43 0.07 0.00 -1.82 0.00 0.00 55.36 53.98 3a2r s GLN 297 Cb -0.06 0.26 -0.02 0.00 -1.09 0.00 0.00 33.01 32.09 3a2r s GLN 297 CO -0.00 -0.09 -0.21 0.54 -1.32 0.00 0.00 175.29 174.21 3a2r s VAL 298 N -0.10 1.66 -0.04 3.63 0.11 -0.88 -0.39 120.40 124.39 3a2r s VAL 298 Ca -0.03 -1.09 0.03 0.00 -2.93 0.00 0.00 61.98 57.96 3a2r s VAL 298 Cb -0.03 -1.42 0.01 0.00 -1.53 0.00 0.00 36.38 33.40 3a2r s VAL 298 CO 0.02 0.29 -0.12 -0.63 -3.33 0.00 0.00 175.10 171.33 3a2r s ILE 299 N -0.69 1.03 0.11 7.04 1.01 -0.52 -1.10 121.20 128.08 3a2r s ILE 299 Ca 0.08 -0.47 0.10 0.00 0.00 0.00 0.00 60.65 60.35 3a2r s ILE 299 Cb -0.09 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 3a2r s ILE 299 CO 0.01 0.32 -0.25 0.68 0.00 0.00 0.00 174.94 175.70 3a2r s VAL 300 N 0.31 2.04 0.00 2.92 -7.23 -0.24 -0.68 120.40 117.51 3a2r s VAL 300 Ca -0.07 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 58.48 3a2r s VAL 300 Cb -0.12 -1.81 0.00 0.00 0.56 0.00 0.00 36.38 35.02 3a2r s VAL 300 CO 0.02 0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.49 3a2r n GLY 301 N 1.10 1.29 3.48 2.32 0.00 -0.23 0.69 105.19 113.84 3a2r n GLY 301 Ca -0.18 -0.65 -0.14 0.00 0.00 0.00 0.00 46.02 45.04 3a2r n GLY 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a2r s ALA 302 N -1.00 -1.72 -0.10 4.61 0.00 -0.44 0.36 121.76 123.47 3a2r s ALA 302 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 51.96 52.94 3a2r s ALA 302 Cb 0.00 0.35 -0.02 0.00 0.00 0.00 0.00 23.12 23.44 3a2r s ALA 302 CO 0.00 -0.56 -0.11 -0.51 0.00 0.00 0.00 175.76 174.58 3a2r s ASP 303 N -1.95 4.27 -0.32 0.00 1.01 -0.93 -1.85 116.67 116.91 3a2r s ASP 303 Ca -0.04 -0.20 -0.10 0.00 0.71 0.00 0.00 52.55 52.92 3a2r s ASP 303 Cb -0.01 -1.36 -0.01 0.00 1.01 0.00 0.00 42.92 42.56 3a2r s ASP 303 CO -0.02 0.25 0.18 -0.47 0.21 0.00 0.00 175.17 175.32 3a2r s TYR 304 N -0.16 3.19 -0.95 4.23 5.04 0.38 -1.84 117.35 127.25 3a2r s TYR 304 Ca 0.00 -0.52 -0.21 0.00 -2.44 0.00 0.00 57.07 53.91 3a2r s TYR 304 Cb -0.13 -2.39 0.09 0.00 0.35 0.00 0.00 41.96 39.88 3a2r s TYR 304 CO 0.03 -0.45 1.25 -0.51 -1.34 0.00 0.00 175.55 174.54 3a2r s ASP 305 N 1.63 6.54 0.21 4.32 1.11 -0.29 0.65 116.67 130.85 3a2r s ASP 305 Ca 0.05 -1.72 -0.13 0.00 0.18 0.00 0.00 52.55 50.94 3a2r s ASP 305 Cb -0.17 -2.47 0.26 0.00 1.07 0.00 0.00 42.92 41.60 3a2r s ASP 305 CO 0.07 -1.28 1.63 -0.26 1.18 0.00 0.00 175.17 176.51 3a2r h PHE 306 N 9.29 -0.26 -1.65 4.23 0.04 -1.76 -3.47 116.94 123.36 3a2r h PHE 306 Ca 0.14 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.97 3a2r h PHE 306 Cb 1.02 0.22 0.00 0.00 2.20 0.00 0.00 35.95 39.39 3a2r h PHE 306 CO 1.20 -0.25 0.00 -1.13 -0.60 0.00 0.00 178.31 177.53 3a2r n SER 307 N -5.40 0.00 0.17 2.17 3.41 -0.99 -4.97 113.62 108.00 3a2r n SER 307 Ca 0.08 -0.65 0.12 0.00 -0.26 0.00 0.00 58.87 58.16 3a2r n SER 307 Cb 0.34 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.50 3a2r n SER 307 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3a2r h LYS 308 N 0.00 0.00 0.00 4.33 1.57 -2.01 -3.31 116.57 117.15 3a2r h LYS 308 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3a2r h LYS 308 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3a2r h LYS 308 CO 0.00 0.00 -1.91 0.54 -0.57 0.00 0.00 179.45 177.51 3a2r n ARG 309 N -2.78 0.66 -4.40 3.15 1.74 -1.26 -4.95 116.66 108.80 3a2r n ARG 309 Ca 0.04 -0.12 -0.27 0.00 -0.77 0.00 0.00 57.85 56.73 3a2r n ARG 309 Cb 0.50 -1.57 -0.17 0.00 -1.02 0.00 0.00 32.46 30.21 3a2r n ARG 309 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3a2r s THR 310 N -3.35 1.26 0.03 0.55 2.01 -1.25 -0.69 115.64 114.20 3a2r s THR 310 Ca -0.07 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 61.45 3a2r s THR 310 Cb 0.12 -1.18 -0.02 0.00 0.01 0.00 0.00 72.50 71.44 3a2r s THR 310 CO 0.88 0.39 -0.10 -0.44 -0.69 0.00 0.00 174.62 174.67 3a2r s SER 311 N 1.00 1.13 0.13 3.53 0.01 0.48 -2.22 113.70 117.76 3a2r s SER 311 Ca -0.08 -0.38 -0.09 0.00 1.31 0.00 0.00 55.95 56.72 3a2r s SER 311 Cb -0.15 -0.06 -0.06 0.00 0.21 0.00 0.00 66.02 65.96 3a2r s SER 311 CO -0.01 -0.02 0.44 0.00 0.41 0.00 0.00 173.24 174.06 3a2r s ALA 312 N -0.79 3.69 -0.01 1.44 0.00 0.21 -1.03 121.76 125.27 3a2r s ALA 312 Ca -0.02 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 51.59 3a2r s ALA 312 Cb -0.07 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.75 3a2r s ALA 312 CO 0.01 0.56 -0.04 -0.51 0.00 0.00 0.00 175.76 175.78 3a2r s LEU 313 N -2.24 1.80 0.01 0.00 1.43 -0.32 0.14 118.68 119.49 3a2r s LEU 313 Ca 0.38 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 3a2r s LEU 313 Cb -0.13 -0.27 -0.01 0.00 0.03 0.00 0.00 46.19 45.81 3a2r s LEU 313 CO 0.20 0.02 -0.02 0.68 0.23 0.00 0.00 176.35 177.46 3a2r s VAL 314 N 0.19 0.11 0.19 -1.59 -7.23 -0.77 0.23 120.40 111.53 3a2r s VAL 314 Ca -0.02 -0.30 -0.15 0.00 -1.81 0.00 0.00 61.98 59.71 3a2r s VAL 314 Cb -0.05 -0.15 0.01 0.00 0.56 0.00 0.00 36.38 36.75 3a2r s VAL 314 CO -0.00 -0.12 0.45 -0.94 -0.31 0.00 0.00 175.10 174.18 3a2r s SER 315 N -0.44 -0.16 0.01 4.85 1.04 -0.73 -1.32 113.70 116.95 3a2r s SER 315 Ca -0.04 -0.63 -0.03 0.00 0.48 0.00 0.00 55.95 55.73 3a2r s SER 315 Cb -0.03 0.54 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 3a2r s SER 315 CO -0.00 -1.02 0.04 0.00 0.98 0.00 0.00 173.24 173.24 3a2r s ALA 316 N -3.91 -0.07 0.02 5.32 0.00 0.22 -1.05 121.76 122.29 3a2r s ALA 316 Ca 0.13 -0.38 -0.05 0.00 0.00 0.00 0.00 51.96 51.65 3a2r s ALA 316 Cb 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 3a2r s ALA 316 CO -0.01 -0.17 0.09 0.20 0.00 0.00 0.00 175.76 175.87 3a2r s GLY 317 N -1.36 0.13 -0.17 0.00 0.00 0.28 -1.08 107.32 105.11 3a2r s GLY 317 Ca -0.15 -0.37 -0.05 0.00 0.00 0.00 0.00 44.72 44.15 3a2r s GLY 317 CO 0.00 -0.50 0.10 -0.98 0.00 0.00 0.00 173.10 171.73 3a2r s TRP 318 N -1.85 0.15 -0.07 1.90 0.52 -0.26 -1.68 118.94 117.65 3a2r s TRP 318 Ca -0.11 -0.25 0.04 0.00 0.02 0.00 0.00 56.10 55.79 3a2r s TRP 318 Cb -0.06 -0.66 -0.00 0.00 -1.15 0.00 0.00 33.47 31.61 3a2r s TRP 318 CO -0.01 -0.51 -0.20 -1.17 0.02 0.00 0.00 176.95 175.07 3a2r s LEU 319 N 2.16 1.96 -0.10 2.99 2.96 -0.27 -2.07 118.68 126.31 3a2r s LEU 319 Ca 0.02 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.51 3a2r s LEU 319 Cb -0.16 -1.18 0.01 0.00 0.50 0.00 0.00 46.19 45.36 3a2r s LEU 319 CO -0.09 0.15 -0.18 -0.54 -1.32 0.00 0.00 176.35 174.37 3a2r s LYS 320 N 0.23 2.48 -0.08 1.98 1.02 0.09 -0.75 119.74 124.70 3a2r s LYS 320 Ca -0.11 -0.67 0.04 0.00 0.02 0.00 0.00 55.97 55.25 3a2r s LYS 320 Cb -0.15 -1.98 -0.01 0.00 -0.52 0.00 0.00 37.83 35.17 3a2r s LYS 320 CO 0.05 0.05 -0.22 -0.65 -0.92 0.00 0.00 175.35 173.66 3a2r s GLN 321 N 0.66 2.86 1.66 1.68 -0.21 0.12 -0.73 119.66 125.70 3a2r s GLN 321 Ca -0.13 -0.85 0.00 0.00 0.02 0.00 0.00 55.36 54.40 3a2r s GLN 321 Cb -0.16 -2.30 0.00 0.00 1.00 0.00 0.00 33.01 31.55 3a2r s GLN 321 CO 0.03 0.30 0.00 0.41 -2.12 0.00 0.00 175.29 173.91 3a2r n GLY 322 N 3.21 -1.32 3.00 3.09 0.00 0.12 -1.67 105.19 111.62 3a2r n GLY 322 Ca -0.18 -1.19 -0.16 0.00 0.00 0.00 0.00 46.02 44.49 3a2r n GLY 322 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a2r s LYS 323 N 0.00 0.54 3.93 1.61 1.02 -1.21 -4.84 119.74 120.78 3a2r s LYS 323 Ca 0.00 -0.32 0.00 0.00 0.02 0.00 0.00 55.97 55.67 3a2r s LYS 323 Cb 0.00 -0.50 0.00 0.00 -0.52 0.00 0.00 37.83 36.81 3a2r s LYS 323 CO 0.00 0.13 0.00 0.41 -0.92 0.00 0.00 175.35 174.97 3a2r n GLY 324 N 2.70 1.03 0.15 -3.33 0.00 -1.26 -3.88 105.19 100.59 3a2r n GLY 324 Ca -0.14 -0.89 0.09 0.00 0.00 0.00 0.00 46.02 45.07 3a2r n GLY 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a2r n ALA 325 N 6.37 4.13 1.32 4.61 0.00 -1.26 -3.44 120.51 132.23 3a2r n ALA 325 Ca 0.00 -0.56 0.14 0.00 0.00 0.00 0.00 53.44 53.02 3a2r n ALA 325 Cb 0.00 -0.69 0.63 0.00 0.00 0.00 0.00 19.45 19.39 3a2r n ALA 325 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a2r n GLY 326 N 1.41 -1.17 3.62 0.00 0.00 -1.25 -4.59 105.19 103.21 3a2r n GLY 326 Ca 0.05 -0.21 -0.49 0.00 0.00 0.00 0.00 46.02 45.38 3a2r n GLY 326 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3a2r n LYS 327 N -1.19 1.57 -4.92 1.61 4.81 -1.22 -4.86 118.16 113.96 3a2r n LYS 327 Ca 0.13 0.57 -0.32 0.00 -0.87 0.00 0.00 58.31 57.81 3a2r n LYS 327 Cb 0.28 -2.22 -0.16 0.00 0.02 0.00 0.00 35.03 32.94 3a2r n LYS 327 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3a2r s VAL 328 N 0.43 2.24 -0.15 3.15 1.01 -0.67 -4.31 120.40 122.10 3a2r s VAL 328 Ca 0.79 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.84 3a2r s VAL 328 Cb -0.81 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 33.70 3a2r s VAL 328 CO 0.45 0.55 -0.18 -1.61 0.00 0.00 0.00 175.10 174.32 3a2r s GLU 329 N 0.54 2.62 -0.17 2.72 2.02 0.05 0.16 118.70 126.65 3a2r s GLU 329 Ca -0.13 -0.69 -0.06 0.00 0.02 0.00 0.00 54.97 54.11 3a2r s GLU 329 Cb -0.17 -2.27 -0.04 0.00 0.10 0.00 0.00 34.13 31.76 3a2r s GLU 329 CO 0.04 -0.16 0.02 -0.65 0.02 0.00 0.00 175.26 174.54 3a2r s GLN 330 N 1.21 3.84 -0.05 1.61 -0.21 0.07 0.32 119.66 126.45 3a2r s GLN 330 Ca 0.01 -0.41 0.05 0.00 0.02 0.00 0.00 55.36 55.03 3a2r s GLN 330 Cb -0.14 -3.09 -0.02 0.00 1.00 0.00 0.00 33.01 30.76 3a2r s GLN 330 CO -0.08 0.28 -0.20 0.95 -2.12 0.00 0.00 175.29 174.12 3a2r s THR 331 N 0.32 2.55 0.06 -0.19 -4.23 -0.14 -1.11 115.64 112.90 3a2r s THR 331 Ca 0.01 -0.91 -0.16 0.00 -1.18 0.00 0.00 61.69 59.45 3a2r s THR 331 Cb -0.13 -1.96 0.03 0.00 1.34 0.00 0.00 72.50 71.78 3a2r s THR 331 CO 0.01 0.58 0.36 0.00 -0.54 0.00 0.00 174.62 175.03 3a2r s ALA 332 N -0.52 -0.83 0.01 3.99 0.00 -0.67 -1.02 121.76 122.72 3a2r s ALA 332 Ca 0.07 0.10 -0.11 0.00 0.00 0.00 0.00 51.96 52.02 3a2r s ALA 332 Cb -0.11 0.38 0.01 0.00 0.00 0.00 0.00 23.12 23.40 3a2r s ALA 332 CO 0.01 -0.46 0.22 -1.54 0.00 0.00 0.00 175.76 173.98 3a2r s SER 333 N -2.16 -0.04 0.08 0.00 1.04 -0.23 0.99 113.70 113.38 3a2r s SER 333 Ca -0.04 -0.18 -0.08 0.00 0.48 0.00 0.00 55.95 56.14 3a2r s SER 333 Cb -0.00 0.27 -0.00 0.00 0.10 0.00 0.00 66.02 66.38 3a2r s SER 333 CO -0.04 -0.47 0.17 0.00 0.98 0.00 0.00 173.24 173.88 3a2r s MET 334 N -1.82 0.82 -0.02 4.02 0.23 -0.21 -0.67 119.30 121.64 3a2r s MET 334 Ca -0.11 -0.97 0.05 0.00 -1.03 0.00 0.00 55.69 53.63 3a2r s MET 334 Cb -0.04 0.33 -0.01 0.00 -1.53 0.00 0.00 34.83 33.58 3a2r s MET 334 CO 0.00 -0.25 -0.16 0.54 -2.03 0.00 0.00 175.02 173.13 3a2r s VAL 335 N -3.81 1.25 0.35 5.16 0.11 -0.83 -1.77 120.40 120.86 3a2r s VAL 335 Ca 0.05 -0.66 -0.08 0.00 -2.93 0.00 0.00 61.98 58.35 3a2r s VAL 335 Cb 0.05 -1.05 0.02 0.00 -1.53 0.00 0.00 36.38 33.86 3a2r s VAL 335 CO -0.11 0.36 0.58 -0.83 -3.33 0.00 0.00 175.10 171.78 3a2r s GLY 336 N -0.26 1.01 -0.01 6.54 0.00 0.13 -0.81 107.32 113.92 3a2r s GLY 336 Ca 0.04 -1.19 0.01 0.00 0.00 0.00 0.00 44.72 43.58 3a2r s GLY 336 CO -0.00 -0.72 -0.02 -2.27 0.00 0.00 0.00 173.10 170.09 3a2r s LEU 337 N -3.16 1.73 -0.05 0.66 2.96 0.17 -1.18 118.68 119.82 3a2r s LEU 337 Ca 0.24 -0.04 0.04 0.00 -0.22 0.00 0.00 54.13 54.16 3a2r s LEU 337 Cb -0.02 -0.15 0.00 0.00 0.50 0.00 0.00 46.19 46.52 3a2r s LEU 337 CO 0.16 -0.01 -0.17 -0.60 -1.32 0.00 0.00 176.35 174.41 3a2r s ARG 338 N 0.29 1.91 -0.08 1.98 3.52 -0.20 -0.86 118.95 125.50 3a2r s ARG 338 Ca -0.03 -0.60 -0.02 0.00 -0.13 0.00 0.00 55.73 54.96 3a2r s ARG 338 Cb -0.05 -1.60 0.03 0.00 -1.56 0.00 0.00 34.95 31.77 3a2r s ARG 338 CO -0.01 0.19 0.02 -1.58 -0.81 0.00 0.00 175.30 173.11 3a2r s HIS 339 N 0.21 0.59 -0.02 5.12 5.65 0.17 -0.39 115.29 126.62 3a2r s HIS 339 Ca -0.08 -0.16 -0.17 0.00 0.25 0.00 0.00 55.06 54.90 3a2r s HIS 339 Cb -0.13 -0.77 -0.05 0.00 -1.18 0.00 0.00 32.58 30.45 3a2r s HIS 339 CO 0.03 -0.34 0.47 0.15 -0.65 0.00 0.00 174.74 174.41 3a2r s LYS 340 N 2.00 4.13 0.00 2.88 1.02 0.13 -0.42 119.74 129.47 3a2r s LYS 340 Ca 0.04 0.50 0.00 0.00 0.02 0.00 0.00 55.97 56.53 3a2r s LYS 340 Cb -0.13 -3.30 0.00 0.00 -0.52 0.00 0.00 37.83 33.89 3a2r s LYS 340 CO -0.05 0.50 0.32 1.97 -0.92 0.00 0.00 175.35 177.17