#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a3r s PRO 10 N 0.00 3.30 0.83 5.56 0.04 -1.26 -4.66 135.00 138.81 2a3r s PRO 10 Ca 0.00 1.62 -0.11 0.00 0.04 0.00 0.00 61.00 62.55 2a3r s PRO 10 Cb 0.00 -2.00 0.09 0.00 0.04 0.00 0.00 34.50 32.63 2a3r s PRO 10 CO 0.00 -0.90 1.09 -1.25 0.04 0.00 0.00 177.00 175.98 2a3r s PRO 11 N -3.32 1.78 0.69 0.56 0.04 -1.26 -4.03 135.00 129.46 2a3r s PRO 11 Ca 0.73 0.80 -0.11 0.00 0.04 0.00 0.00 61.00 62.46 2a3r s PRO 11 Cb -0.24 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.43 2a3r s PRO 11 CO 0.28 -1.87 1.06 -0.51 0.04 0.00 0.00 177.00 176.00 2a3r s LEU 12 N -5.98 3.16 -0.02 -3.56 1.43 -1.26 -4.19 118.68 108.26 2a3r s LEU 12 Ca 0.62 1.66 0.04 0.00 -1.03 0.00 0.00 54.13 55.42 2a3r s LEU 12 Cb -0.16 -4.50 -0.01 0.00 0.03 0.00 0.00 46.19 41.55 2a3r s LEU 12 CO 0.56 -1.47 -0.14 -0.70 0.23 0.00 0.00 176.35 174.83 2a3r s GLU 13 N -4.92 1.25 -0.09 1.70 2.12 0.19 -4.91 118.70 114.04 2a3r s GLU 13 Ca 0.59 -0.48 -0.17 0.00 0.36 0.00 0.00 54.97 55.27 2a3r s GLU 13 Cb -0.15 -1.16 -0.05 0.00 0.26 0.00 0.00 34.13 33.04 2a3r s GLU 13 CO 0.53 0.24 0.44 0.71 -0.54 0.00 0.00 175.26 176.64 2a3r s TYR 14 N -0.11 3.56 -0.07 5.30 1.51 -1.26 -1.15 117.35 125.13 2a3r s TYR 14 Ca 0.01 0.88 -0.01 0.00 -1.01 0.00 0.00 57.07 56.94 2a3r s TYR 14 Cb -0.08 -2.46 0.03 0.00 -0.11 0.00 0.00 41.96 39.34 2a3r s TYR 14 CO 0.00 0.30 0.01 0.08 -1.11 0.00 0.00 175.55 174.83 2a3r s VAL 15 N 0.17 0.32 -1.63 0.71 1.01 0.06 -4.82 120.40 116.23 2a3r s VAL 15 Ca 0.24 0.15 -0.16 0.00 0.00 0.00 0.00 61.98 62.22 2a3r s VAL 15 Cb -0.15 -0.48 0.12 0.00 0.00 0.00 0.00 36.38 35.87 2a3r s VAL 15 CO 0.10 0.25 0.84 0.29 0.00 0.00 0.00 175.10 176.58 2a3r n LYS 16 N 5.11 -4.01 -0.97 2.72 5.02 -1.26 -0.13 118.16 124.64 2a3r n LYS 16 Ca -0.08 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 2a3r n LYS 16 Cb 0.50 -5.21 0.00 0.00 -0.02 0.00 0.00 35.03 30.31 2a3r n LYS 16 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2a3r n GLY 17 N -1.53 0.77 3.39 0.72 0.00 -1.26 -5.03 105.19 102.25 2a3r n GLY 17 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2a3r n GLY 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a3r s VAL 18 N -3.05 3.26 0.09 1.61 1.01 0.82 -5.01 120.40 119.13 2a3r s VAL 18 Ca 0.00 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 2a3r s VAL 18 Cb 0.00 -2.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 2a3r s VAL 18 CO 0.00 0.51 1.02 -2.84 0.00 0.00 0.00 175.10 173.79 2a3r s PRO 19 N 0.47 4.60 0.12 2.72 0.02 -1.26 -0.76 135.00 140.92 2a3r s PRO 19 Ca -0.08 1.54 -0.01 0.00 0.02 0.00 0.00 61.00 62.47 2a3r s PRO 19 Cb -0.15 -3.38 -0.04 0.00 0.02 0.00 0.00 34.50 30.95 2a3r s PRO 19 CO 0.04 0.05 0.04 -0.51 -0.33 0.00 0.00 177.00 176.29 2a3r s LEU 20 N 0.35 1.91 0.05 -5.54 1.43 -0.30 0.11 118.68 116.70 2a3r s LEU 20 Ca 0.50 -1.17 -0.29 0.00 -1.03 0.00 0.00 54.13 52.14 2a3r s LEU 20 Cb -0.25 0.25 -0.05 0.00 0.03 0.00 0.00 46.19 46.18 2a3r s LEU 20 CO 0.30 -0.70 0.94 -0.63 0.23 0.00 0.00 176.35 176.50 2a3r s ILE 21 N -4.00 4.69 0.20 -0.59 1.01 -1.26 -0.64 121.20 120.61 2a3r s ILE 21 Ca 0.21 2.00 -0.08 0.00 0.00 0.00 0.00 60.65 62.78 2a3r s ILE 21 Cb 0.07 -4.29 0.30 0.00 0.01 0.00 0.00 42.46 38.55 2a3r s ILE 21 CO 0.00 0.26 1.17 1.17 0.00 0.00 0.00 174.94 177.54 2a3r n LYS 22 N 3.26 -0.10 -0.32 2.79 4.81 -1.26 0.48 118.16 127.82 2a3r n LYS 22 Ca 0.03 1.17 0.02 0.00 -0.87 0.00 0.00 58.31 58.66 2a3r n LYS 22 Cb 0.50 -1.74 0.17 0.00 0.02 0.00 0.00 35.03 33.98 2a3r n LYS 22 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 2a3r h TYR 23 N 0.00 1.01 -0.17 5.64 0.05 -1.92 -1.26 116.97 120.32 2a3r h TYR 23 Ca 0.33 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 59.10 2a3r h TYR 23 Cb 0.52 -0.32 -0.00 0.00 1.01 0.00 0.00 36.73 37.93 2a3r h TYR 23 CO -0.60 0.47 -0.07 0.74 -1.05 0.00 0.00 178.16 177.65 2a3r h PHE 24 N 0.96 0.39 -0.92 4.88 0.04 -0.22 -2.45 116.94 119.62 2a3r h PHE 24 Ca 0.41 -0.09 0.15 0.00 2.80 0.00 0.00 57.97 61.23 2a3r h PHE 24 Cb 0.26 -0.09 -0.10 0.00 2.20 0.00 0.00 35.95 38.23 2a3r h PHE 24 CO -0.03 0.64 0.52 0.00 -0.60 0.00 0.00 178.31 178.84 2a3r h ALA 25 N 0.69 1.42 -0.02 2.45 0.00 -0.77 -1.91 119.26 121.12 2a3r h ALA 25 Ca 0.04 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2a3r h ALA 25 Cb 0.53 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2a3r h ALA 25 CO 0.02 -0.02 0.01 0.93 0.00 0.00 0.00 179.25 180.19 2a3r h GLU 26 N 0.73 0.04 -0.50 0.00 5.08 -1.13 -2.98 114.58 115.82 2a3r h GLU 26 Ca 0.50 -0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.99 2a3r h GLU 26 Cb 0.68 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 2a3r h GLU 26 CO -0.35 0.25 0.65 0.00 -1.00 0.00 0.00 179.01 178.57 2a3r h ALA 27 N 0.78 2.22 -0.00 3.43 0.00 -0.86 -1.22 119.26 123.61 2a3r h ALA 27 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2a3r h ALA 27 Cb 0.23 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2a3r h ALA 27 CO 0.00 -0.91 0.01 -0.07 0.00 0.00 0.00 179.25 178.28 2a3r h LEU 28 N 0.00 0.00 0.35 0.00 3.38 -1.36 -2.50 115.31 115.19 2a3r h LEU 28 Ca 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 2a3r h LEU 28 Cb 1.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.29 2a3r h LEU 28 CO -0.00 0.00 -0.17 1.23 0.09 0.00 0.00 178.44 179.59 2a3r h GLY 29 N 0.00 -0.49 0.48 0.83 0.00 -1.43 -3.26 103.07 99.20 2a3r h GLY 29 Ca 0.00 0.18 0.10 0.00 0.00 0.00 0.00 47.33 47.61 2a3r h GLY 29 CO -0.00 -0.18 0.43 -2.55 0.00 0.00 0.00 176.54 174.24 2a3r h PRO 30 N -0.67 0.69 0.00 4.80 0.11 -1.75 -2.21 132.00 132.97 2a3r h PRO 30 Ca -0.05 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2a3r h PRO 30 Cb 0.36 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.32 2a3r h PRO 30 CO 0.08 0.46 0.50 -0.07 -0.21 0.00 0.00 178.00 178.76 2a3r h LEU 31 N 0.71 0.00 -0.26 2.35 3.38 -1.50 0.36 115.31 120.35 2a3r h LEU 31 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 2a3r h LEU 31 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2a3r h LEU 31 CO -0.26 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.27 2a3r n GLN 32 N -2.48 0.13 0.00 1.13 6.02 -0.83 -2.42 117.38 118.92 2a3r n GLN 32 Ca -0.01 0.27 0.10 0.00 -0.01 0.00 0.00 57.00 57.35 2a3r n GLN 32 Cb 0.52 -1.70 -0.09 0.00 1.02 0.00 0.00 30.24 29.99 2a3r n GLN 32 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2a3r n SER 33 N -1.93 1.23 -4.71 1.08 3.41 0.13 -4.97 113.62 107.86 2a3r n SER 33 Ca 0.04 -1.11 -0.43 0.00 -0.26 0.00 0.00 58.87 57.11 2a3r n SER 33 Cb 0.27 0.87 -0.03 0.00 -0.26 0.00 0.00 64.21 65.06 2a3r n SER 33 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2a3r n PHE 34 N -1.16 2.59 -3.91 7.33 7.35 -1.01 -4.98 117.46 123.67 2a3r n PHE 34 Ca 0.05 0.17 -0.35 0.00 -0.76 0.00 0.00 57.45 56.56 2a3r n PHE 34 Cb 0.36 -2.61 -0.14 0.00 0.35 0.00 0.00 39.48 37.44 2a3r n PHE 34 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2a3r s GLN 35 N 0.68 3.11 0.43 -4.13 -0.21 -1.26 -4.79 119.66 113.49 2a3r s GLN 35 Ca 0.74 -0.80 -0.21 0.00 0.02 0.00 0.00 55.36 55.10 2a3r s GLN 35 Cb -0.56 -3.05 -0.11 0.00 1.00 0.00 0.00 33.01 30.29 2a3r s GLN 35 CO 0.38 -0.32 0.95 0.00 -2.12 0.00 0.00 175.29 174.18 2a3r s ALA 36 N 1.42 3.05 0.06 6.09 0.00 -1.26 -5.07 121.76 126.05 2a3r s ALA 36 Ca 0.03 0.40 0.02 0.00 0.00 0.00 0.00 51.96 52.41 2a3r s ALA 36 Cb -0.16 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 2a3r s ALA 36 CO -0.03 0.13 0.12 1.03 0.00 0.00 0.00 175.76 177.02 2a3r s ARG 37 N -3.14 3.09 0.55 0.00 0.52 -1.26 -4.97 118.95 113.74 2a3r s ARG 37 Ca 0.62 -0.58 0.25 0.00 -0.52 0.00 0.00 55.73 55.49 2a3r s ARG 37 Cb -0.09 -2.85 1.58 0.00 0.52 0.00 0.00 34.95 34.11 2a3r s ARG 37 CO 0.13 0.59 2.18 -1.35 0.02 0.00 0.00 175.30 176.88 2a3r h PRO 38 N 3.31 0.00 -0.62 3.54 0.11 -1.98 -2.11 132.00 134.25 2a3r h PRO 38 Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2a3r h PRO 38 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2a3r h PRO 38 CO 0.69 0.04 0.02 -0.40 -0.21 0.00 0.00 178.00 178.13 2a3r n ASP 39 N -3.99 5.44 -4.86 -2.05 5.75 -1.26 -4.70 116.55 110.87 2a3r n ASP 39 Ca -0.03 -2.90 -0.31 0.00 -0.01 0.00 0.00 54.79 51.54 2a3r n ASP 39 Cb 0.12 -0.68 -0.03 0.00 -1.03 0.00 0.00 41.12 39.51 2a3r n ASP 39 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2a3r s ASP 40 N -0.74 6.53 -0.16 -1.12 1.01 -0.80 -4.22 116.67 117.16 2a3r s ASP 40 Ca 0.52 1.42 0.00 0.00 0.71 0.00 0.00 52.55 55.20 2a3r s ASP 40 Cb 0.40 -2.45 0.03 0.00 1.01 0.00 0.00 42.92 41.91 2a3r s ASP 40 CO 0.15 -0.59 -0.10 -0.22 0.21 0.00 0.00 175.17 174.62 2a3r s LEU 41 N -4.22 1.72 -0.15 1.23 1.98 -0.77 -3.84 118.68 114.63 2a3r s LEU 41 Ca 0.56 -0.59 -0.12 0.00 -2.89 0.00 0.00 54.13 51.09 2a3r s LEU 41 Cb -0.10 -1.07 -0.05 0.00 0.66 0.00 0.00 46.19 45.63 2a3r s LEU 41 CO 0.35 -0.12 0.25 -0.22 -1.89 0.00 0.00 176.35 174.72 2a3r s LEU 42 N 1.54 4.27 -0.37 -0.68 2.96 -0.61 -1.13 118.68 124.67 2a3r s LEU 42 Ca 0.03 0.47 -0.06 0.00 -0.22 0.00 0.00 54.13 54.35 2a3r s LEU 42 Cb -0.14 -2.29 0.07 0.00 0.50 0.00 0.00 46.19 44.33 2a3r s LEU 42 CO -0.09 0.17 0.16 -0.63 -1.32 0.00 0.00 176.35 174.64 2a3r s ILE 43 N 0.13 3.72 -0.01 6.68 1.01 0.20 -0.85 121.20 132.09 2a3r s ILE 43 Ca 0.15 -1.42 0.06 0.00 0.00 0.00 0.00 60.65 59.44 2a3r s ILE 43 Cb -0.13 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 2a3r s ILE 43 CO 0.03 -0.37 -0.18 0.21 0.00 0.00 0.00 174.94 174.64 2a3r s ASN 44 N 1.69 3.76 0.12 3.58 3.84 -0.68 -1.67 114.94 125.57 2a3r s ASN 44 Ca 0.01 -0.34 -0.25 0.00 0.21 0.00 0.00 52.86 52.50 2a3r s ASN 44 Cb -0.21 -0.66 0.08 0.00 -0.55 0.00 0.00 41.25 39.90 2a3r s ASN 44 CO 0.01 0.31 0.65 0.42 -2.79 0.00 0.00 177.10 175.70 2a3r s THR 45 N -0.79 0.00 0.29 -5.21 -4.23 -1.02 -2.85 115.64 101.84 2a3r s THR 45 Ca 0.12 0.00 -0.24 0.00 -1.18 0.00 0.00 61.69 60.40 2a3r s THR 45 Cb -0.10 -1.00 -0.09 0.00 1.34 0.00 0.00 72.50 72.64 2a3r s THR 45 CO 0.02 0.00 0.87 -0.47 -0.54 0.00 0.00 174.62 174.50 2a3r s TYR 46 N -3.44 3.66 0.15 3.99 5.04 -1.26 -4.15 117.35 121.34 2a3r s TYR 46 Ca 0.01 1.64 -0.33 0.00 -2.44 0.00 0.00 57.07 55.95 2a3r s TYR 46 Cb -0.01 -2.81 -0.17 0.00 0.35 0.00 0.00 41.96 39.32 2a3r s TYR 46 CO -0.11 0.24 1.00 -2.30 -1.34 0.00 0.00 175.55 173.05 2a3r n PRO 47 N 0.55 0.70 -1.48 4.97 -0.02 -1.26 -2.53 135.00 135.92 2a3r n PRO 47 Ca 0.01 0.25 -0.07 0.00 -2.02 0.00 0.00 63.50 61.67 2a3r n PRO 47 Cb 0.51 -1.64 -0.02 0.00 -0.02 0.00 0.00 33.50 32.33 2a3r n PRO 47 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2a3r n LYS 48 N 1.50 -0.51 -0.30 -0.52 4.76 -1.26 -4.91 118.16 116.91 2a3r n LYS 48 Ca 0.16 0.63 0.12 0.00 -2.87 0.00 0.00 58.31 56.35 2a3r n LYS 48 Cb 0.22 -4.46 0.28 0.00 -1.84 0.00 0.00 35.03 29.23 2a3r n LYS 48 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2a3r n SER 49 N 0.80 3.75 0.00 4.39 7.64 -1.05 -4.79 113.62 124.36 2a3r n SER 49 Ca -0.07 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 57.81 2a3r n SER 49 Cb 0.33 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 2a3r n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a3r n GLY 50 N 1.55 1.71 0.47 0.23 0.00 -1.26 -4.50 105.19 103.39 2a3r n GLY 50 Ca 0.22 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.06 2a3r n GLY 50 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2a3r h THR 51 N 0.00 0.10 -0.81 2.61 2.02 -1.90 -1.98 112.91 112.95 2a3r h THR 51 Ca 0.00 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.30 2a3r h THR 51 Cb 0.00 0.10 -0.08 0.00 -1.74 0.00 0.00 68.15 66.42 2a3r h THR 51 CO 0.00 0.00 0.42 0.74 0.37 0.00 0.00 175.52 177.05 2a3r h THR 52 N -1.03 0.81 0.04 3.16 2.02 -1.97 -0.47 112.91 115.45 2a3r h THR 52 Ca -0.08 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 2a3r h THR 52 Cb 0.86 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 2a3r h THR 52 CO 0.03 0.12 -0.02 -0.25 0.37 0.00 0.00 175.52 175.77 2a3r h TRP 53 N 0.66 -0.04 0.00 3.16 7.01 -1.91 -1.80 115.95 123.03 2a3r h TRP 53 Ca 0.42 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.39 2a3r h TRP 53 Cb 0.50 0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 27.57 2a3r h TRP 53 CO -0.09 0.02 -0.13 -0.24 -2.79 0.00 0.00 178.44 175.21 2a3r h VAL 54 N -0.10 0.29 -0.18 2.65 3.04 -1.02 -2.37 116.25 118.57 2a3r h VAL 54 Ca -0.00 -0.93 -0.16 0.00 -1.01 0.00 0.00 66.70 64.59 2a3r h VAL 54 Cb 0.08 1.73 -0.01 0.00 -2.01 0.00 0.00 31.29 31.09 2a3r h VAL 54 CO 0.01 0.12 -0.57 0.28 -1.01 0.00 0.00 177.57 176.40 2a3r h SER 55 N 0.00 0.62 -0.17 3.17 0.02 -0.73 -1.67 113.55 114.78 2a3r h SER 55 Ca -0.00 -0.34 -0.15 0.00 -0.84 0.00 0.00 61.79 60.46 2a3r h SER 55 Cb 0.72 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.09 2a3r h SER 55 CO 0.02 1.06 -0.48 -0.61 -1.14 0.00 0.00 176.83 175.67 2a3r h GLN 56 N 0.42 0.63 -0.46 3.45 5.75 -1.08 -1.73 115.11 122.09 2a3r h GLN 56 Ca 0.00 -0.45 0.02 0.00 -0.15 0.00 0.00 58.65 58.07 2a3r h GLN 56 Cb 1.12 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.71 2a3r h GLN 56 CO 0.11 1.07 0.28 0.82 -2.65 0.00 0.00 178.83 178.46 2a3r h ILE 57 N 0.30 1.07 -0.53 2.39 2.04 -1.39 -1.71 117.51 119.68 2a3r h ILE 57 Ca -0.01 -0.20 -0.11 0.00 1.00 0.00 0.00 64.86 65.54 2a3r h ILE 57 Cb 1.10 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 2a3r h ILE 57 CO 0.10 0.10 -0.11 -0.07 0.00 0.00 0.00 178.15 178.17 2a3r h LEU 58 N 0.57 1.01 -1.02 1.44 3.38 -1.27 -2.10 115.31 117.33 2a3r h LEU 58 Ca 0.18 -0.33 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 2a3r h LEU 58 Cb -0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 2a3r h LEU 58 CO -0.07 1.12 -0.30 -0.78 0.09 0.00 0.00 178.44 178.50 2a3r h ASP 59 N 0.89 0.34 -0.32 -0.43 3.58 -1.16 -1.43 116.42 117.89 2a3r h ASP 59 Ca 0.14 -0.12 -0.07 0.00 0.42 0.00 0.00 57.03 57.40 2a3r h ASP 59 Cb 0.68 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.62 2a3r h ASP 59 CO 0.05 0.63 -0.08 0.24 -2.88 0.00 0.00 179.24 177.20 2a3r h MET 60 N 0.29 0.61 -0.59 0.28 2.86 -1.11 0.16 114.93 117.43 2a3r h MET 60 Ca 0.04 -0.23 -0.00 0.00 -2.06 0.00 0.00 59.70 57.45 2a3r h MET 60 Cb 0.68 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.28 2a3r h MET 60 CO 0.05 0.79 0.37 0.82 1.06 0.00 0.00 176.91 180.00 2a3r h ILE 61 N 0.38 1.17 -0.20 -1.22 2.04 -1.13 0.34 117.51 118.89 2a3r h ILE 61 Ca 0.08 -0.36 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 2a3r h ILE 61 Cb 0.57 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2a3r h ILE 61 CO 0.03 0.17 -0.15 1.88 0.00 0.00 0.00 178.15 180.08 2a3r h TYR 62 N 0.80 0.36 -0.44 1.37 -1.99 -1.11 -1.89 116.97 114.07 2a3r h TYR 62 Ca 0.21 -0.05 -0.13 0.00 2.00 0.00 0.00 58.73 60.76 2a3r h TYR 62 Cb -0.04 -0.10 -0.08 0.00 2.00 0.00 0.00 36.73 38.52 2a3r h TYR 62 CO -0.02 0.49 0.16 1.04 -0.00 0.00 0.00 178.16 179.83 2a3r n GLN 63 N -4.22 2.59 -1.06 4.88 1.13 0.03 -4.89 117.38 115.84 2a3r n GLN 63 Ca -0.00 -1.78 -0.07 0.00 -1.94 0.00 0.00 57.00 53.21 2a3r n GLN 63 Cb 0.31 -1.83 -0.03 0.00 0.11 0.00 0.00 30.24 28.80 2a3r n GLN 63 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2a3r n GLY 64 N 0.01 0.67 0.66 1.08 0.00 -0.71 -1.18 105.19 105.71 2a3r n GLY 64 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2a3r n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a3r n GLY 65 N 0.28 0.81 3.62 -0.02 0.00 0.11 -4.98 105.19 105.01 2a3r n GLY 65 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 2a3r n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2a3r s ASP 66 N -2.18 6.79 0.23 1.61 -1.08 -0.33 -4.93 116.67 116.78 2a3r s ASP 66 Ca 0.00 0.81 -0.01 0.00 -0.52 0.00 0.00 52.55 52.83 2a3r s ASP 66 Cb 0.00 -2.50 0.24 0.00 -1.46 0.00 0.00 42.92 39.20 2a3r s ASP 66 CO 0.00 -0.85 1.61 -0.07 0.52 0.00 0.00 175.17 176.39 2a3r h LEU 67 N 10.03 0.60 -1.77 -1.34 3.38 -1.96 -2.82 115.31 121.42 2a3r h LEU 67 Ca -0.22 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 2a3r h LEU 67 Cb 1.07 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 2a3r h LEU 67 CO 1.00 0.91 -0.13 -0.08 0.09 0.00 0.00 178.44 180.23 2a3r h GLU 68 N 0.48 0.00 0.07 1.13 4.57 -1.98 -0.77 114.58 118.09 2a3r h GLU 68 Ca 0.05 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 57.95 2a3r h GLU 68 Cb 0.85 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.42 2a3r h GLU 68 CO 0.07 0.13 -1.43 0.87 -1.18 0.00 0.00 179.01 177.46 2a3r h LYS 69 N 0.00 0.15 0.00 1.92 1.57 -1.91 -3.22 116.57 115.09 2a3r h LYS 69 Ca -0.00 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2a3r h LYS 69 Cb 0.42 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2a3r h LYS 69 CO 0.02 0.98 0.00 0.00 -0.57 0.00 0.00 179.45 179.88 2a3r n ASN 71 N -2.94 1.39 -0.13 0.00 3.02 -0.35 -4.17 115.26 112.08 2a3r n ASN 71 Ca 0.02 -1.47 0.28 0.00 -0.03 0.00 0.00 54.58 53.38 2a3r n ASN 71 Cb 0.37 -0.00 0.70 0.00 -0.61 0.00 0.00 39.78 40.24 2a3r n ASN 71 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 2a3r h ARG 72 N 2.17 0.00 -1.28 3.52 0.11 -1.46 -3.45 114.38 113.99 2a3r h ARG 72 Ca 0.00 0.00 0.36 0.00 0.10 0.00 0.00 59.98 60.44 2a3r h ARG 72 Cb 0.46 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 31.41 2a3r h ARG 72 CO 0.00 0.00 0.91 0.00 0.10 0.00 0.00 179.97 180.98 2a3r s ALA 73 N -4.76 -2.39 0.64 0.08 0.00 -1.26 -5.11 121.76 108.96 2a3r s ALA 73 Ca -0.04 0.79 -0.18 0.00 0.00 0.00 0.00 51.96 52.52 2a3r s ALA 73 Cb 0.19 0.33 -0.01 0.00 0.00 0.00 0.00 23.12 23.62 2a3r s ALA 73 CO 0.66 -1.06 1.26 -2.14 0.00 0.00 0.00 175.76 174.48 2a3r s PRO 74 N -2.21 2.65 0.24 0.00 0.02 -1.26 -4.71 135.00 129.72 2a3r s PRO 74 Ca 0.15 1.97 -0.07 0.00 0.02 0.00 0.00 61.00 63.08 2a3r s PRO 74 Cb 0.06 -1.87 0.41 0.00 0.02 0.00 0.00 34.50 33.12 2a3r s PRO 74 CO -0.05 -1.50 1.68 -0.84 -0.33 0.00 0.00 177.00 175.96 2a3r h ILE 75 N 0.59 0.52 0.00 2.83 -0.00 -1.62 0.41 117.51 120.24 2a3r h ILE 75 Ca -0.51 -0.08 0.00 0.00 -0.00 0.00 0.00 64.86 64.27 2a3r h ILE 75 Cb 1.32 0.26 0.00 0.00 -0.00 0.00 0.00 36.82 38.40 2a3r h ILE 75 CO 0.53 0.04 0.00 0.00 -0.00 0.00 0.00 178.15 178.73 2a3r n TYR 76 N -5.18 0.00 -0.08 0.16 0.18 -1.26 0.11 117.16 111.10 2a3r n TYR 76 Ca 0.13 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.82 2a3r n TYR 76 Cb 0.43 -0.11 -0.09 0.00 -0.38 0.00 0.00 39.34 39.18 2a3r n TYR 76 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 2a3r n VAL 77 N -1.11 0.95 0.07 -3.48 0.31 0.13 -4.10 118.33 111.11 2a3r n VAL 77 Ca 0.05 -0.48 -0.18 0.00 -0.01 0.00 0.00 64.34 63.71 2a3r n VAL 77 Cb 0.04 -0.86 -0.10 0.00 -0.91 0.00 0.00 33.84 32.01 2a3r n VAL 77 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2a3r h ARG 78 N 0.00 0.54 -3.32 5.55 3.08 0.15 -3.38 114.38 117.00 2a3r h ARG 78 Ca -0.37 -0.66 -0.64 0.00 0.07 0.00 0.00 59.98 58.38 2a3r h ARG 78 Cb 1.72 0.20 -0.41 0.00 0.08 0.00 0.00 29.97 31.56 2a3r h ARG 78 CO -0.02 1.27 -0.62 0.08 -1.07 0.00 0.00 179.97 179.61 2a3r s VAL 79 N -3.12 2.66 0.32 2.04 1.01 0.31 -4.69 120.40 118.93 2a3r s VAL 79 Ca -0.08 -3.53 -0.28 0.00 0.00 0.00 0.00 61.98 58.09 2a3r s VAL 79 Cb 0.07 -2.83 -0.13 0.00 0.00 0.00 0.00 36.38 33.49 2a3r s VAL 79 CO 0.91 -0.84 1.19 -2.65 0.00 0.00 0.00 175.10 173.70 2a3r n PRO 80 N 2.86 1.86 -3.01 2.72 -0.02 -1.24 -4.38 135.00 133.79 2a3r n PRO 80 Ca 0.08 0.65 -0.44 0.00 -2.02 0.00 0.00 63.50 61.78 2a3r n PRO 80 Cb 0.33 -2.16 -0.05 0.00 -0.02 0.00 0.00 33.50 31.60 2a3r n PRO 80 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2a3r s PHE 81 N -1.07 2.88 0.14 6.00 2.19 -1.26 -0.69 117.98 126.16 2a3r s PHE 81 Ca 0.57 -0.59 -0.26 0.00 0.33 0.00 0.00 56.93 56.97 2a3r s PHE 81 Cb -0.62 -3.99 -0.06 0.00 -1.31 0.00 0.00 43.02 37.05 2a3r s PHE 81 CO 0.61 -1.35 1.32 -0.11 1.83 0.00 0.00 175.22 177.53 2a3r n LEU 82 N 6.88 -0.90 0.13 6.12 7.94 0.31 -1.84 117.00 135.63 2a3r n LEU 82 Ca -0.05 1.53 0.13 0.00 -1.11 0.00 0.00 56.01 56.50 2a3r n LEU 82 Cb 0.45 -0.20 0.36 0.00 0.53 0.00 0.00 43.42 44.56 2a3r n LEU 82 CO 0.60 -1.24 0.87 -0.33 -1.11 0.00 0.00 177.39 176.18 2a3r h GLU 83 N 0.00 0.00 -6.27 1.96 3.07 -1.94 -3.30 114.58 108.09 2a3r h GLU 83 Ca 0.14 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 58.32 2a3r h GLU 83 Cb 0.35 0.00 0.06 0.00 -0.84 0.00 0.00 28.75 28.32 2a3r h GLU 83 CO -0.80 0.00 0.37 1.55 -1.40 0.00 0.00 179.01 178.74 2a3r n VAL 84 N -2.42 0.28 -2.83 3.13 3.14 -0.77 -4.62 118.33 114.24 2a3r n VAL 84 Ca 0.05 -0.07 -0.11 0.00 -2.96 0.00 0.00 64.34 61.25 2a3r n VAL 84 Cb 0.45 -0.78 0.05 0.00 -1.06 0.00 0.00 33.84 32.49 2a3r n VAL 84 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2a3r n ASN 85 N 2.33 -0.41 -4.81 6.55 5.15 -1.26 -1.13 115.26 121.67 2a3r n ASN 85 Ca 0.17 -2.97 -0.33 0.00 -0.60 0.00 0.00 54.58 50.85 2a3r n ASN 85 Cb 0.20 0.40 -0.05 0.00 -0.53 0.00 0.00 39.78 39.80 2a3r n ASN 85 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2a3r s ASP 86 N -2.05 6.60 -0.23 1.20 -0.00 -1.26 -4.77 116.67 116.16 2a3r s ASP 86 Ca 0.28 1.77 -0.29 0.00 -0.00 0.00 0.00 52.55 54.31 2a3r s ASP 86 Cb 0.38 -2.54 -0.02 0.00 -0.00 0.00 0.00 42.92 40.73 2a3r s ASP 86 CO -0.04 -0.60 1.56 -2.84 -0.00 0.00 0.00 175.17 173.25 2a3r s PRO 87 N -3.38 3.84 0.00 8.23 0.02 -1.26 -3.23 135.00 139.22 2a3r s PRO 87 Ca 0.64 1.61 0.00 0.00 0.02 0.00 0.00 61.00 63.27 2a3r s PRO 87 Cb -0.12 -4.00 0.00 0.00 0.02 0.00 0.00 34.50 30.39 2a3r s PRO 87 CO 0.20 -1.24 0.00 0.41 -0.33 0.00 0.00 177.00 176.04 2a3r n GLY 88 N 4.56 0.88 3.43 0.52 0.00 -1.26 -5.08 105.19 108.25 2a3r n GLY 88 Ca 0.18 -0.58 -0.16 0.00 0.00 0.00 0.00 46.02 45.46 2a3r n GLY 88 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2a3r s GLU 89 N -3.33 1.00 0.23 1.61 0.41 -1.20 -5.12 118.70 112.31 2a3r s GLU 89 Ca 0.00 -0.01 -0.30 0.00 -0.41 0.00 0.00 54.97 54.25 2a3r s GLU 89 Cb 0.00 0.46 -0.10 0.00 -1.78 0.00 0.00 34.13 32.71 2a3r s GLU 89 CO 0.00 -0.33 1.49 -2.14 -0.49 0.00 0.00 175.26 173.79 2a3r s PRO 90 N -1.74 4.24 0.86 0.39 0.02 -1.26 -4.64 135.00 132.86 2a3r s PRO 90 Ca -0.09 2.35 -0.11 0.00 0.02 0.00 0.00 61.00 63.17 2a3r s PRO 90 Cb -0.01 -3.11 0.11 0.00 0.02 0.00 0.00 34.50 31.51 2a3r s PRO 90 CO 0.04 -0.49 1.15 -1.54 -0.33 0.00 0.00 177.00 175.83 2a3r s SER 91 N 0.56 3.36 0.08 2.53 1.04 -1.26 -4.75 113.70 115.26 2a3r s SER 91 Ca 0.62 2.17 -0.22 0.00 0.48 0.00 0.00 55.95 59.00 2a3r s SER 91 Cb -0.43 -2.56 -0.13 0.00 0.10 0.00 0.00 66.02 63.00 2a3r s SER 91 CO 0.41 -2.81 1.65 1.23 0.98 0.00 0.00 173.24 174.70 2a3r h GLY 92 N -1.50 0.14 0.59 7.32 0.00 -1.27 -0.72 103.07 107.63 2a3r h GLY 92 Ca -0.44 -0.07 0.13 0.00 0.00 0.00 0.00 47.33 46.95 2a3r h GLY 92 CO 0.44 0.07 0.57 -2.00 0.00 0.00 0.00 176.54 175.62 2a3r h LEU 93 N 0.02 0.70 0.73 3.11 6.46 -1.82 -0.36 115.31 124.16 2a3r h LEU 93 Ca 0.03 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.79 2a3r h LEU 93 Cb 0.12 -0.11 0.01 0.00 -0.73 0.00 0.00 40.66 39.95 2a3r h LEU 93 CO -0.00 0.38 -0.35 -0.33 -0.62 0.00 0.00 178.44 177.51 2a3r h GLU 94 N 0.76 -0.95 -0.64 1.25 5.08 -1.79 -2.77 114.58 115.51 2a3r h GLU 94 Ca 0.44 0.06 0.19 0.00 -1.00 0.00 0.00 59.36 59.05 2a3r h GLU 94 Cb 0.61 0.22 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 2a3r h GLU 94 CO -0.20 -0.62 0.56 1.15 -1.00 0.00 0.00 179.01 178.90 2a3r h THR 95 N -1.22 0.44 0.00 1.13 2.02 -0.47 0.56 112.91 115.38 2a3r h THR 95 Ca -0.10 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.03 2a3r h THR 95 Cb 0.77 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 2a3r h THR 95 CO 0.17 0.00 -0.24 -0.07 0.37 0.00 0.00 175.52 175.75 2a3r h LEU 96 N 0.00 0.00 -1.05 2.58 3.38 -0.81 -3.16 115.31 116.24 2a3r h LEU 96 Ca 0.30 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.23 2a3r h LEU 96 Cb 1.42 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.14 2a3r h LEU 96 CO -0.00 0.24 0.19 0.07 0.09 0.00 0.00 178.44 179.02 2a3r h LYS 97 N 0.00 0.87 -0.67 1.13 2.10 -0.66 -2.93 116.57 116.41 2a3r h LYS 97 Ca -0.00 -0.16 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 2a3r h LYS 97 Cb 0.97 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.16 2a3r h LYS 97 CO 0.03 0.75 0.00 -0.25 -2.00 0.00 0.00 179.45 177.98 2a3r n ASP 98 N -4.29 4.64 -4.73 7.07 8.00 -1.21 -4.93 116.55 121.09 2a3r n ASP 98 Ca 0.05 -2.37 -0.39 0.00 0.71 0.00 0.00 54.79 52.79 2a3r n ASP 98 Cb 0.20 -0.56 -0.05 0.00 -0.02 0.00 0.00 41.12 40.68 2a3r n ASP 98 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2a3r s THR 99 N -1.69 5.08 0.04 -3.53 2.01 -1.11 -5.03 115.64 111.40 2a3r s THR 99 Ca 0.51 1.17 -0.30 0.00 0.31 0.00 0.00 61.69 63.38 2a3r s THR 99 Cb 0.32 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.86 2a3r s THR 99 CO 0.26 0.33 1.16 -2.84 -0.69 0.00 0.00 174.62 172.84 2a3r s PRO 100 N 0.47 4.45 0.59 4.92 0.02 -1.26 -4.93 135.00 139.27 2a3r s PRO 100 Ca 0.31 1.71 -0.19 0.00 0.02 0.00 0.00 61.00 62.85 2a3r s PRO 100 Cb -0.17 -3.38 -0.04 0.00 0.02 0.00 0.00 34.50 30.94 2a3r s PRO 100 CO 0.14 -0.24 1.20 -2.14 -0.33 0.00 0.00 177.00 175.63 2a3r s PRO 101 N 1.12 3.00 0.26 5.54 0.02 -1.26 -3.88 135.00 139.80 2a3r s PRO 101 Ca 0.57 1.79 -0.29 0.00 0.02 0.00 0.00 61.00 63.09 2a3r s PRO 101 Cb -0.28 -1.94 -0.09 0.00 0.02 0.00 0.00 34.50 32.21 2a3r s PRO 101 CO 0.29 -1.18 0.97 -1.25 -0.33 0.00 0.00 177.00 175.50 2a3r s PRO 102 N -3.36 4.76 0.15 5.54 0.04 -1.26 -5.15 135.00 135.72 2a3r s PRO 102 Ca 0.77 1.53 -0.04 0.00 0.04 0.00 0.00 61.00 63.29 2a3r s PRO 102 Cb -0.29 -3.18 -0.05 0.00 0.04 0.00 0.00 34.50 31.01 2a3r s PRO 102 CO 0.33 0.41 0.38 1.03 0.04 0.00 0.00 177.00 179.18 2a3r s ARG 103 N -1.38 3.60 -0.20 4.56 0.52 -1.25 -5.02 118.95 119.78 2a3r s ARG 103 Ca 0.43 -0.13 -0.01 0.00 -0.52 0.00 0.00 55.73 55.50 2a3r s ARG 103 Cb -0.26 -2.85 0.01 0.00 0.52 0.00 0.00 34.95 32.37 2a3r s ARG 103 CO 0.33 0.46 -0.13 -0.51 0.02 0.00 0.00 175.30 175.46 2a3r s LEU 104 N -2.75 2.48 -0.08 2.53 1.43 -1.26 -1.84 118.68 119.19 2a3r s LEU 104 Ca 0.41 -0.53 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 2a3r s LEU 104 Cb -0.12 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 2a3r s LEU 104 CO 0.25 -0.01 -0.16 -0.63 0.23 0.00 0.00 176.35 176.03 2a3r s ILE 105 N 1.37 2.82 0.03 -0.59 1.01 -0.28 -3.60 121.20 121.95 2a3r s ILE 105 Ca 0.05 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 59.93 2a3r s ILE 105 Cb -0.14 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 2a3r s ILE 105 CO -0.08 0.56 0.07 -0.75 0.00 0.00 0.00 174.94 174.73 2a3r s LYS 106 N -0.23 2.95 -0.08 2.79 2.20 0.13 0.61 119.74 128.10 2a3r s LYS 106 Ca 0.00 -0.58 -0.30 0.00 -0.36 0.00 0.00 55.97 54.73 2a3r s LYS 106 Cb -0.13 -2.78 0.12 0.00 -1.51 0.00 0.00 37.83 33.53 2a3r s LYS 106 CO 0.03 0.61 0.96 0.45 -0.36 0.00 0.00 175.35 177.04 2a3r s SER 107 N -1.94 -0.35 0.00 1.43 0.15 -0.67 -0.53 113.70 111.79 2a3r s SER 107 Ca 0.25 0.16 0.00 0.00 0.70 0.00 0.00 55.95 57.06 2a3r s SER 107 Cb -0.12 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 2a3r s SER 107 CO 0.16 -0.47 0.48 1.41 1.20 0.00 0.00 173.24 176.01 2a3r n HIS 108 N 0.16 0.00 -1.73 3.44 8.25 -1.26 -2.44 115.22 121.64 2a3r n HIS 108 Ca -0.08 -0.02 -0.42 0.00 -0.26 0.00 0.00 57.72 56.94 2a3r n HIS 108 Cb 0.60 -0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.70 2a3r n HIS 108 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2a3r n LEU 109 N -0.02 4.10 -4.85 2.41 4.77 -1.26 -4.78 117.00 117.38 2a3r n LEU 109 Ca 0.00 1.21 -0.31 0.00 -0.03 0.00 0.00 56.01 56.88 2a3r n LEU 109 Cb 0.03 -1.55 0.02 0.00 -2.33 0.00 0.00 43.42 39.59 2a3r n LEU 109 CO 0.00 -0.18 0.71 -2.84 -1.33 0.00 0.00 177.39 173.75 2a3r s PRO 110 N -1.88 3.43 0.31 3.23 0.02 -1.26 -4.80 135.00 134.06 2a3r s PRO 110 Ca 0.55 0.87 0.07 0.00 0.02 0.00 0.00 61.00 62.51 2a3r s PRO 110 Cb -0.53 -2.06 0.81 0.00 0.02 0.00 0.00 34.50 32.75 2a3r s PRO 110 CO 0.62 -0.70 1.72 -0.07 -0.33 0.00 0.00 177.00 178.24 2a3r h LEU 111 N -0.23 0.54 -1.79 -5.54 3.38 -1.95 -0.29 115.31 109.44 2a3r h LEU 111 Ca -0.44 0.14 0.13 0.00 0.09 0.00 0.00 57.88 57.80 2a3r h LEU 111 Cb 1.20 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 2a3r h LEU 111 CO 0.60 0.07 0.41 0.00 0.09 0.00 0.00 178.44 179.61 2a3r h ALA 112 N 1.72 2.26 -0.01 1.53 0.00 -1.98 -2.62 119.26 120.16 2a3r h ALA 112 Ca 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.51 2a3r h ALA 112 Cb 1.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2a3r h ALA 112 CO -0.49 -0.42 -0.60 1.28 0.00 0.00 0.00 179.25 179.02 2a3r n LEU 113 N -4.43 1.23 -4.71 0.00 4.77 -0.18 -4.99 117.00 108.68 2a3r n LEU 113 Ca 0.11 -0.62 -0.42 0.00 -0.03 0.00 0.00 56.01 55.05 2a3r n LEU 113 Cb 0.51 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 2a3r n LEU 113 CO 0.35 0.26 1.02 -0.22 -1.33 0.00 0.00 177.39 177.47 2a3r s LEU 114 N -2.50 4.36 -0.06 2.23 2.96 -0.82 -4.93 118.68 119.92 2a3r s LEU 114 Ca 0.10 2.23 -0.37 0.00 -0.22 0.00 0.00 54.13 55.87 2a3r s LEU 114 Cb 0.13 -3.58 -0.15 0.00 0.50 0.00 0.00 46.19 43.09 2a3r s LEU 114 CO 0.58 -0.61 1.63 -2.65 -1.32 0.00 0.00 176.35 173.98 2a3r n PRO 115 N 4.08 1.54 -0.20 0.98 -0.02 -1.26 -4.85 135.00 135.27 2a3r n PRO 115 Ca 0.11 0.56 0.16 0.00 -2.02 0.00 0.00 63.50 62.31 2a3r n PRO 115 Cb 0.43 -2.28 0.48 0.00 -0.02 0.00 0.00 33.50 32.12 2a3r n PRO 115 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2a3r h GLN 116 N 6.67 0.45 -0.98 -0.52 5.75 -1.94 -2.05 115.11 122.49 2a3r h GLN 116 Ca -0.47 -0.03 0.25 0.00 -0.15 0.00 0.00 58.65 58.26 2a3r h GLN 116 Cb 1.30 -0.10 -0.07 0.00 1.07 0.00 0.00 27.48 29.68 2a3r h GLN 116 CO 0.89 0.30 0.66 0.00 -2.65 0.00 0.00 178.83 178.04 2a3r h THR 117 N 0.46 0.57 -0.32 2.39 1.03 -1.89 0.51 112.91 115.67 2a3r h THR 117 Ca 0.41 -0.09 -0.09 0.00 -0.01 0.00 0.00 66.41 66.63 2a3r h THR 117 Cb 0.90 0.28 -0.02 0.00 -1.07 0.00 0.00 68.15 68.25 2a3r h THR 117 CO -0.15 0.05 -0.18 -0.07 -0.01 0.00 0.00 175.52 175.16 2a3r h LEU 118 N 0.26 0.57 0.08 0.00 3.38 -1.73 -1.77 115.31 116.10 2a3r h LEU 118 Ca 0.51 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 58.19 2a3r h LEU 118 Cb 1.54 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 42.15 2a3r h LEU 118 CO -0.16 0.76 -0.51 -0.07 0.09 0.00 0.00 178.44 178.55 2a3r h LEU 119 N 0.52 0.28 -0.15 1.67 3.38 -1.11 -2.80 115.31 117.10 2a3r h LEU 119 Ca 0.09 -0.97 0.05 0.00 0.09 0.00 0.00 57.88 57.14 2a3r h LEU 119 Cb 0.60 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 2a3r h LEU 119 CO 0.04 1.25 -0.22 0.44 0.09 0.00 0.00 178.44 180.03 2a3r h ASP 120 N -0.62 -0.70 0.00 -0.43 3.32 -1.17 0.28 116.42 117.10 2a3r h ASP 120 Ca -0.09 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2a3r h ASP 120 Cb 1.39 0.32 0.00 0.00 0.22 0.00 0.00 39.33 41.26 2a3r h ASP 120 CO 0.09 -0.27 0.00 0.00 -1.72 0.00 0.00 179.24 177.34 2a3r n GLN 121 N -5.36 0.33 -2.91 3.56 1.13 -0.67 -4.84 117.38 108.63 2a3r n GLN 121 Ca -0.02 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.84 2a3r n GLN 121 Cb 0.27 -1.46 0.01 0.00 0.11 0.00 0.00 30.24 29.17 2a3r n GLN 121 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2a3r n LYS 122 N -0.96 -3.36 -1.69 -1.09 4.76 0.09 -4.66 118.16 111.25 2a3r n LYS 122 Ca 0.07 0.70 -0.44 0.00 -2.87 0.00 0.00 58.31 55.77 2a3r n LYS 122 Cb 0.03 -5.43 -0.03 0.00 -1.84 0.00 0.00 35.03 27.77 2a3r n LYS 122 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2a3r n VAL 123 N -3.98 0.46 -1.97 -0.18 0.31 -1.06 -4.85 118.33 107.06 2a3r n VAL 123 Ca -0.11 -0.12 -0.38 0.00 -0.01 0.00 0.00 64.34 63.73 2a3r n VAL 123 Cb 0.60 -1.66 0.02 0.00 -0.91 0.00 0.00 33.84 31.90 2a3r n VAL 123 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2a3r s LYS 124 N 0.31 3.36 -0.05 5.55 1.02 -1.25 -4.79 119.74 123.89 2a3r s LYS 124 Ca 0.72 2.04 0.02 0.00 0.02 0.00 0.00 55.97 58.77 2a3r s LYS 124 Cb -0.61 -2.29 0.02 0.00 -0.52 0.00 0.00 37.83 34.42 2a3r s LYS 124 CO 0.42 -0.96 -0.09 0.08 -0.92 0.00 0.00 175.35 173.89 2a3r s VAL 125 N -1.41 0.88 -0.25 3.17 1.01 -0.70 -1.57 120.40 121.53 2a3r s VAL 125 Ca 0.69 -0.33 -0.08 0.00 0.00 0.00 0.00 61.98 62.26 2a3r s VAL 125 Cb -0.35 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 2a3r s VAL 125 CO 0.42 0.30 0.08 -0.69 0.00 0.00 0.00 175.10 175.21 2a3r s VAL 126 N 0.71 4.46 -0.02 2.92 1.01 -0.03 -0.29 120.40 129.16 2a3r s VAL 126 Ca -0.13 -0.12 0.05 0.00 0.00 0.00 0.00 61.98 61.78 2a3r s VAL 126 Cb -0.15 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 2a3r s VAL 126 CO 0.02 0.34 -0.16 -0.47 0.00 0.00 0.00 175.10 174.83 2a3r s TYR 127 N 1.55 2.64 -0.05 5.22 5.04 0.69 -1.68 117.35 130.75 2a3r s TYR 127 Ca 0.06 -0.21 0.03 0.00 -2.44 0.00 0.00 57.07 54.51 2a3r s TYR 127 Cb -0.15 -1.57 0.01 0.00 0.35 0.00 0.00 41.96 40.60 2a3r s TYR 127 CO 0.04 0.19 -0.12 0.08 -1.34 0.00 0.00 175.55 174.41 2a3r s VAL 128 N -0.79 1.06 0.13 3.14 1.01 -1.13 0.16 120.40 123.97 2a3r s VAL 128 Ca 0.13 -0.46 0.09 0.00 0.00 0.00 0.00 61.98 61.74 2a3r s VAL 128 Cb -0.11 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 2a3r s VAL 128 CO 0.02 0.33 -0.23 0.00 0.00 0.00 0.00 175.10 175.22 2a3r s ALA 129 N 0.48 2.09 0.08 5.51 0.00 -0.66 -4.26 121.76 125.00 2a3r s ALA 129 Ca -0.10 -1.39 0.03 0.00 0.00 0.00 0.00 51.96 50.50 2a3r s ALA 129 Cb -0.13 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 2a3r s ALA 129 CO 0.03 0.41 -0.08 0.50 0.00 0.00 0.00 175.76 176.62 2a3r s ARG 130 N -2.13 0.73 0.30 0.00 3.52 -1.26 -0.11 118.95 120.01 2a3r s ARG 130 Ca 0.11 -1.08 -0.29 0.00 -0.13 0.00 0.00 55.73 54.34 2a3r s ARG 130 Cb -0.09 -0.35 -0.11 0.00 -1.56 0.00 0.00 34.95 32.84 2a3r s ARG 130 CO 0.06 0.04 1.50 0.54 -0.81 0.00 0.00 175.30 176.62 2a3r s ASN 131 N -2.34 6.49 0.36 -2.12 2.20 -1.26 -4.83 114.94 113.43 2a3r s ASN 131 Ca 0.02 2.86 0.13 0.00 -0.94 0.00 0.00 52.86 54.93 2a3r s ASN 131 Cb -0.03 -2.64 0.95 0.00 -2.00 0.00 0.00 41.25 37.53 2a3r s ASN 131 CO -0.01 -0.80 1.79 1.55 -2.94 0.00 0.00 177.10 176.68 2a3r h PRO 132 N 4.37 0.53 0.32 3.55 0.13 -1.98 -2.28 132.00 136.64 2a3r h PRO 132 Ca -0.48 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 2a3r h PRO 132 Cb 1.22 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2a3r h PRO 132 CO 0.74 0.35 -0.15 0.87 -0.23 0.00 0.00 178.00 179.58 2a3r h LYS 133 N 0.55 -0.41 -0.59 0.86 1.57 -1.98 0.15 116.57 116.71 2a3r h LYS 133 Ca 0.57 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.35 2a3r h LYS 133 Cb 1.19 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.57 2a3r h LYS 133 CO -0.32 -0.23 0.27 -0.44 -0.57 0.00 0.00 179.45 178.17 2a3r h ASP 134 N -0.49 0.75 -0.38 0.86 3.32 -1.88 -2.17 116.42 116.44 2a3r h ASP 134 Ca -0.04 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 2a3r h ASP 134 Cb 0.37 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 2a3r h ASP 134 CO 0.07 0.65 0.20 0.58 -1.72 0.00 0.00 179.24 179.02 2a3r h VAL 135 N 0.83 1.15 -0.43 -1.35 2.07 -1.06 -0.39 116.25 117.07 2a3r h VAL 135 Ca 0.21 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.35 2a3r h VAL 135 Cb 0.10 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 2a3r h VAL 135 CO -0.03 0.16 0.25 0.00 0.02 0.00 0.00 177.57 177.97 2a3r h ALA 136 N 1.06 0.55 -0.02 1.67 0.00 -0.32 0.45 119.26 122.65 2a3r h ALA 136 Ca 0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2a3r h ALA 136 Cb 0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2a3r h ALA 136 CO -0.02 -0.08 0.01 0.28 0.00 0.00 0.00 179.25 179.44 2a3r h VAL 137 N 0.50 1.18 -0.84 0.00 2.07 -1.21 -0.45 116.25 117.50 2a3r h VAL 137 Ca 0.17 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.17 2a3r h VAL 137 Cb 0.02 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 2a3r h VAL 137 CO -0.09 0.14 0.53 -1.28 0.02 0.00 0.00 177.57 176.90 2a3r h SER 138 N -0.18 0.99 0.21 0.57 0.87 -0.86 -2.15 113.55 112.99 2a3r h SER 138 Ca 0.01 -0.04 -0.13 0.00 -1.23 0.00 0.00 61.79 60.39 2a3r h SER 138 Cb 0.22 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 2a3r h SER 138 CO -0.00 0.73 -0.50 0.22 -0.53 0.00 0.00 176.83 176.76 2a3r h TYR 139 N 1.15 0.41 0.29 2.24 3.20 0.15 -2.02 116.97 122.39 2a3r h TYR 139 Ca 0.31 -0.13 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 2a3r h TYR 139 Cb -0.09 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.10 2a3r h TYR 139 CO 0.00 0.77 -0.14 -0.92 -1.64 0.00 0.00 178.16 176.23 2a3r h TYR 140 N 0.26 -0.36 -0.69 -3.82 3.20 -0.43 -1.27 116.97 113.87 2a3r h TYR 140 Ca 0.01 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 2a3r h TYR 140 Cb 0.97 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 39.33 2a3r h TYR 140 CO 0.02 -0.18 0.32 0.45 -1.64 0.00 0.00 178.16 177.14 2a3r h HIS 141 N -0.45 0.99 -0.69 -3.82 3.86 -1.47 -1.72 115.15 111.85 2a3r h HIS 141 Ca -0.04 -0.04 0.01 0.00 -1.16 0.00 0.00 60.37 59.14 2a3r h HIS 141 Cb 0.34 -0.31 -0.04 0.00 1.06 0.00 0.00 27.41 28.47 2a3r h HIS 141 CO -0.04 0.72 0.45 0.35 0.86 0.00 0.00 177.93 180.28 2a3r h PHE 142 N 0.98 0.85 0.00 2.45 3.57 -1.13 0.60 116.94 124.26 2a3r h PHE 142 Ca 0.24 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.70 2a3r h PHE 142 Cb 0.12 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 2a3r h PHE 142 CO 0.01 0.52 -0.27 0.45 -2.23 0.00 0.00 178.31 176.80 2a3r h HIS 143 N 0.90 0.00 0.09 0.41 3.86 -0.32 0.14 115.15 120.23 2a3r h HIS 143 Ca 0.26 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.46 2a3r h HIS 143 Cb -0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.40 2a3r h HIS 143 CO -0.00 0.27 -0.04 0.00 0.86 0.00 0.00 177.93 179.01 2a3r h ARG 144 N 0.00 -0.11 0.00 2.45 2.47 -0.52 -3.35 114.38 115.32 2a3r h ARG 144 Ca -0.00 0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.68 2a3r h ARG 144 Cb 0.53 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.87 2a3r h ARG 144 CO 0.03 0.40 -0.41 0.00 0.56 0.00 0.00 179.97 180.55 2a3r h MET 145 N -0.74 0.00 -5.05 0.04 -0.00 -1.27 -3.42 114.93 104.49 2a3r h MET 145 Ca -0.01 0.00 -0.67 0.00 -0.00 0.00 0.00 59.70 59.02 2a3r h MET 145 Cb 0.57 0.00 -0.17 0.00 -0.00 0.00 0.00 31.60 32.00 2a3r h MET 145 CO 0.02 0.17 0.20 -2.00 -0.00 0.00 0.00 176.91 175.30 2a3r s GLU 146 N -3.14 3.12 0.00 -0.10 -6.30 0.48 -0.45 118.70 112.30 2a3r s GLU 146 Ca 0.04 -0.95 0.09 0.00 -2.50 0.00 0.00 54.97 51.65 2a3r s GLU 146 Cb 0.07 -4.17 0.50 0.00 0.00 0.00 0.00 34.13 30.53 2a3r s GLU 146 CO 0.72 -1.44 0.99 1.63 0.02 0.00 0.00 175.26 177.18 2a3r n LYS 147 N 6.61 0.25 0.09 4.30 4.76 -0.26 -2.44 118.16 131.46 2a3r n LYS 147 Ca -0.06 0.03 0.11 0.00 -2.87 0.00 0.00 58.31 55.52 2a3r n LYS 147 Cb 0.45 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.14 2a3r n LYS 147 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2a3r n ALA 148 N -1.04 2.64 -2.21 7.82 0.00 -1.26 -4.23 120.51 122.23 2a3r n ALA 148 Ca 0.06 -0.27 -0.31 0.00 0.00 0.00 0.00 53.44 52.92 2a3r n ALA 148 Cb 0.03 -1.07 -0.04 0.00 0.00 0.00 0.00 19.45 18.37 2a3r n ALA 148 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2a3r s HIS 149 N -3.35 3.44 1.03 0.00 3.76 -1.02 -4.56 115.29 114.60 2a3r s HIS 149 Ca -0.00 1.05 -0.12 0.00 -0.15 0.00 0.00 55.06 55.84 2a3r s HIS 149 Cb 0.11 -2.43 0.21 0.00 1.11 0.00 0.00 32.58 31.57 2a3r s HIS 149 CO 0.80 -0.02 1.07 -1.25 -0.85 0.00 0.00 174.74 174.49 2a3r s PRO 150 N -3.56 0.12 0.06 8.40 0.04 -1.26 -4.72 135.00 134.09 2a3r s PRO 150 Ca 0.51 0.93 -0.30 0.00 0.04 0.00 0.00 61.00 62.17 2a3r s PRO 150 Cb -0.10 -1.67 -0.09 0.00 0.04 0.00 0.00 34.50 32.68 2a3r s PRO 150 CO 0.27 -3.05 1.89 -2.00 0.04 0.00 0.00 177.00 174.15 2a3r s GLU 151 N -4.67 4.15 0.40 4.56 2.56 -1.26 -4.88 118.70 119.56 2a3r s GLU 151 Ca 0.66 2.56 0.22 0.00 0.00 0.00 0.00 54.97 58.41 2a3r s GLU 151 Cb -0.22 -3.94 0.66 0.00 2.00 0.00 0.00 34.13 32.62 2a3r s GLU 151 CO 0.61 -0.90 1.71 -1.00 -0.56 0.00 0.00 175.26 175.12 2a3r h PRO 152 N 9.78 0.00 0.00 4.30 0.13 -1.90 -3.49 132.00 140.82 2a3r h PRO 152 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2a3r h PRO 152 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2a3r h PRO 152 CO 0.94 0.27 0.00 0.41 -0.23 0.00 0.00 178.00 179.40 2a3r n GLY 153 N 0.50 0.65 3.86 1.56 0.00 -1.26 -3.92 105.19 106.58 2a3r n GLY 153 Ca 0.01 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 2a3r n GLY 153 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2a3r s THR 154 N 0.00 4.62 0.17 2.61 -4.23 -1.26 -4.87 115.64 112.68 2a3r s THR 154 Ca 0.00 1.03 -0.14 0.00 -1.18 0.00 0.00 61.69 61.40 2a3r s THR 154 Cb 0.00 -3.78 0.07 0.00 1.34 0.00 0.00 72.50 70.13 2a3r s THR 154 CO 0.00 -0.87 1.74 -0.25 -0.54 0.00 0.00 174.62 174.70 2a3r h TRP 155 N 0.42 0.20 -0.96 3.99 2.91 -1.99 0.65 115.95 121.18 2a3r h TRP 155 Ca -0.46 0.02 0.07 0.00 1.13 0.00 0.00 58.89 59.66 2a3r h TRP 155 Cb 1.19 -0.03 -0.07 0.00 -0.51 0.00 0.00 29.16 29.74 2a3r h TRP 155 CO 0.64 0.05 0.61 0.22 -1.03 0.00 0.00 178.44 178.94 2a3r h ASP 156 N 0.27 0.97 -0.07 2.65 3.58 -1.95 0.17 116.42 122.03 2a3r h ASP 156 Ca 0.21 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.67 2a3r h ASP 156 Cb 0.24 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.10 2a3r h ASP 156 CO -0.25 0.60 0.02 -1.28 -2.88 0.00 0.00 179.24 175.46 2a3r h SER 157 N 1.09 0.11 -0.08 2.28 0.87 -1.62 -2.67 113.55 113.53 2a3r h SER 157 Ca 0.43 -0.21 0.01 0.00 -1.23 0.00 0.00 61.79 60.79 2a3r h SER 157 Cb 0.21 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2a3r h SER 157 CO -0.19 0.29 -0.01 0.15 -0.53 0.00 0.00 176.83 176.54 2a3r h PHE 158 N -0.08 -0.03 -0.72 2.24 3.57 -0.04 -2.17 116.94 119.71 2a3r h PHE 158 Ca 0.02 0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.67 2a3r h PHE 158 Cb 0.23 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.94 2a3r h PHE 158 CO 0.00 -0.03 0.48 1.25 -2.23 0.00 0.00 178.31 177.79 2a3r h LEU 159 N 0.01 0.39 -0.32 0.59 5.85 -0.67 0.31 115.31 121.47 2a3r h LEU 159 Ca 0.04 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 2a3r h LEU 159 Cb 0.05 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 2a3r h LEU 159 CO -0.07 0.21 -0.13 -0.08 -0.34 0.00 0.00 178.44 178.03 2a3r h GLU 160 N 0.42 0.64 -0.22 1.25 4.57 -1.05 -2.27 114.58 117.93 2a3r h GLU 160 Ca 0.35 -0.27 -0.13 0.00 -1.18 0.00 0.00 59.36 58.12 2a3r h GLU 160 Cb 0.77 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.33 2a3r h GLU 160 CO -0.11 0.85 -0.41 0.87 -1.18 0.00 0.00 179.01 179.03 2a3r h LYS 161 N 0.41 0.53 -0.87 1.92 1.57 -0.60 -2.72 116.57 116.81 2a3r h LYS 161 Ca 0.07 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.56 2a3r h LYS 161 Cb 0.65 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.92 2a3r h LYS 161 CO 0.04 0.85 0.45 0.35 -0.57 0.00 0.00 179.45 180.57 2a3r h PHE 162 N 0.44 1.22 0.00 -1.35 3.04 -0.36 0.15 116.94 120.08 2a3r h PHE 162 Ca 0.04 -0.04 -0.09 0.00 3.98 0.00 0.00 57.97 61.85 2a3r h PHE 162 Cb 0.91 -0.39 -0.01 0.00 2.56 0.00 0.00 35.95 39.02 2a3r h PHE 162 CO 0.03 0.86 -0.43 0.52 -2.02 0.00 0.00 178.31 177.28 2a3r h MET 163 N 1.23 0.00 -0.01 1.11 2.86 -1.20 -2.70 114.93 116.23 2a3r h MET 163 Ca 0.30 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 2a3r h MET 163 Cb 0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.73 2a3r h MET 163 CO -0.04 0.43 -0.22 0.00 1.06 0.00 0.00 176.91 178.13 2a3r n ALA 164 N -2.35 3.00 -1.44 6.32 0.00 -0.95 -4.92 120.51 120.17 2a3r n ALA 164 Ca -0.01 -0.35 -0.06 0.00 0.00 0.00 0.00 53.44 53.02 2a3r n ALA 164 Cb 0.51 -1.20 -0.02 0.00 0.00 0.00 0.00 19.45 18.74 2a3r n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a3r n GLY 165 N 1.34 0.63 2.68 0.00 0.00 -0.59 -4.88 105.19 104.37 2a3r n GLY 165 Ca 0.12 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 2a3r n GLY 165 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2a3r n GLU 166 N -2.47 3.55 -4.15 1.61 1.02 -0.06 -3.79 120.64 116.36 2a3r n GLU 166 Ca -0.06 -3.47 -0.10 0.00 -0.02 0.00 0.00 57.16 53.51 2a3r n GLU 166 Cb 0.30 -2.34 -0.10 0.00 -0.02 0.00 0.00 31.44 29.28 2a3r n GLU 166 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2a3r s VAL 167 N -3.60 0.19 0.17 2.62 -7.23 -1.26 -4.80 120.40 106.50 2a3r s VAL 167 Ca 0.51 -1.90 -0.33 0.00 -1.81 0.00 0.00 61.98 58.45 2a3r s VAL 167 Cb 0.33 -1.94 -0.15 0.00 0.56 0.00 0.00 36.38 35.18 2a3r s VAL 167 CO -0.26 -0.58 1.28 -0.24 -0.31 0.00 0.00 175.10 174.99 2a3r n SER 168 N -0.07 1.82 0.00 4.85 2.88 -1.26 -0.19 113.62 121.66 2a3r n SER 168 Ca -0.07 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 2a3r n SER 168 Cb 0.63 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 2a3r n SER 168 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2a3r n TYR 169 N 1.95 0.00 -4.14 0.66 4.01 0.31 -4.93 117.16 115.01 2a3r n TYR 169 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 2a3r n TYR 169 Cb 0.25 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 2a3r n TYR 169 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2a3r n GLY 170 N -2.00 -0.75 3.67 2.72 0.00 0.74 -4.80 105.19 104.77 2a3r n GLY 170 Ca 0.00 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 2a3r n GLY 170 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2a3r s SER 171 N -4.00 6.54 0.19 1.61 0.15 -1.25 -4.69 113.70 112.25 2a3r s SER 171 Ca 0.00 2.53 -0.06 0.00 0.70 0.00 0.00 55.95 59.12 2a3r s SER 171 Cb 0.00 -2.54 0.11 0.00 -1.71 0.00 0.00 66.02 61.88 2a3r s SER 171 CO 0.00 -0.98 1.57 -0.25 1.20 0.00 0.00 173.24 174.78 2a3r h TRP 172 N 9.60 0.92 -0.41 3.44 7.01 -1.90 -1.98 115.95 132.62 2a3r h TRP 172 Ca -0.45 -0.24 -0.01 0.00 2.11 0.00 0.00 58.89 60.30 2a3r h TRP 172 Cb 1.21 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 28.04 2a3r h TRP 172 CO 0.88 1.00 0.21 1.88 -2.79 0.00 0.00 178.44 179.62 2a3r h TYR 173 N 0.67 0.58 -0.56 2.65 -1.99 -1.94 -1.87 116.97 114.51 2a3r h TYR 173 Ca 0.07 -0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.69 2a3r h TYR 173 Cb 0.85 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 39.37 2a3r h TYR 173 CO 0.05 0.47 0.00 0.37 -0.00 0.00 0.00 178.16 179.04 2a3r h GLN 174 N 0.53 0.99 0.30 4.88 4.15 -1.95 -2.45 115.11 121.56 2a3r h GLN 174 Ca 0.14 -0.32 -0.01 0.00 0.77 0.00 0.00 58.65 59.23 2a3r h GLN 174 Cb 0.09 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2a3r h GLN 174 CO -0.02 0.99 -0.14 1.25 -1.93 0.00 0.00 178.83 178.98 2a3r h HIS 175 N 0.88 -0.37 -0.31 3.99 2.76 -1.13 -0.28 115.15 120.69 2a3r h HIS 175 Ca 0.16 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.25 2a3r h HIS 175 Cb 0.54 0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.61 2a3r h HIS 175 CO 0.04 -0.19 -0.11 -0.39 -1.30 0.00 0.00 177.93 175.97 2a3r h VAL 176 N -0.46 1.23 0.07 5.26 -1.51 -1.38 -3.00 116.25 116.46 2a3r h VAL 176 Ca -0.04 -1.01 -0.00 0.00 -1.23 0.00 0.00 66.70 64.41 2a3r h VAL 176 Cb 0.35 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.63 2a3r h VAL 176 CO 0.07 0.33 -0.03 1.56 -1.23 0.00 0.00 177.57 178.27 2a3r h GLN 177 N 0.48 -0.09 0.00 5.19 4.20 -1.27 -2.00 115.11 121.64 2a3r h GLN 177 Ca 0.09 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.84 2a3r h GLN 177 Cb 0.49 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.23 2a3r h GLN 177 CO 0.03 0.35 -0.42 0.93 -0.67 0.00 0.00 178.83 179.05 2a3r h GLU 178 N -0.55 -0.56 -0.84 1.46 5.08 -1.05 -0.46 114.58 117.66 2a3r h GLU 178 Ca -0.01 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2a3r h GLU 178 Cb 0.47 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 2a3r h GLU 178 CO 0.02 -0.37 0.55 -1.49 -1.00 0.00 0.00 179.01 176.72 2a3r h TRP 179 N -0.58 1.03 -0.93 4.33 4.06 -1.62 0.21 115.95 122.45 2a3r h TRP 179 Ca 0.05 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 61.01 2a3r h TRP 179 Cb 0.65 -0.35 -0.04 0.00 -1.00 0.00 0.00 29.16 28.42 2a3r h TRP 179 CO -0.42 0.62 0.56 2.35 -3.56 0.00 0.00 178.44 177.99 2a3r h TRP 180 N 1.09 1.23 -0.17 0.49 2.91 -0.69 -2.17 115.95 118.64 2a3r h TRP 180 Ca 0.32 -0.00 -0.09 0.00 1.13 0.00 0.00 58.89 60.25 2a3r h TRP 180 Cb -0.05 -0.40 -0.00 0.00 -0.51 0.00 0.00 29.16 28.20 2a3r h TRP 180 CO -0.00 0.82 -0.25 1.49 -1.03 0.00 0.00 178.44 179.47 2a3r h GLU 181 N 1.29 0.47 -0.05 2.65 4.81 0.26 -3.16 114.58 120.85 2a3r h GLU 181 Ca 0.33 -0.28 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2a3r h GLU 181 Cb -0.05 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 2a3r h GLU 181 CO -0.06 0.87 0.05 1.25 -0.73 0.00 0.00 179.01 180.39 2a3r h LEU 182 N 0.11 0.00 -0.31 1.64 7.12 -0.29 -2.75 115.31 120.83 2a3r h LEU 182 Ca 0.02 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.03 2a3r h LEU 182 Cb 0.82 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.95 2a3r h LEU 182 CO 0.06 0.00 0.00 -1.54 -0.13 0.00 0.00 178.44 176.83 2a3r n SER 183 N -3.96 0.10 -0.06 1.25 3.41 -0.85 -1.68 113.62 111.83 2a3r n SER 183 Ca -0.02 -0.64 -0.05 0.00 -0.26 0.00 0.00 58.87 57.91 2a3r n SER 183 Cb 0.15 -0.05 -0.12 0.00 -0.26 0.00 0.00 64.21 63.93 2a3r n SER 183 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2a3r n ARG 184 N -0.24 1.39 -0.01 4.33 5.12 -1.04 -4.55 116.66 121.66 2a3r n ARG 184 Ca 0.00 -0.03 0.03 0.00 -1.93 0.00 0.00 57.85 55.92 2a3r n ARG 184 Cb 0.02 -1.38 0.03 0.00 -1.16 0.00 0.00 32.46 29.98 2a3r n ARG 184 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2a3r n THR 185 N -2.46 0.06 -3.98 0.55 -2.24 -0.68 -5.01 114.28 100.53 2a3r n THR 185 Ca -0.20 -0.53 -0.10 0.00 -2.27 0.00 0.00 64.05 60.95 2a3r n THR 185 Cb 0.88 1.10 -0.12 0.00 -2.10 0.00 0.00 70.33 70.10 2a3r n THR 185 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2a3r s HIS 186 N -0.58 0.27 -0.62 4.78 5.65 -0.87 -5.09 115.29 118.84 2a3r s HIS 186 Ca 0.08 -0.44 -0.26 0.00 0.25 0.00 0.00 55.06 54.69 2a3r s HIS 186 Cb 0.06 -0.19 -0.03 0.00 -1.18 0.00 0.00 32.58 31.24 2a3r s HIS 186 CO 0.08 -0.15 1.95 -1.25 -0.65 0.00 0.00 174.74 174.73 2a3r s PRO 187 N -1.22 2.54 -0.13 2.88 0.04 -1.26 -4.51 135.00 133.34 2a3r s PRO 187 Ca -0.13 0.66 -0.01 0.00 0.04 0.00 0.00 61.00 61.56 2a3r s PRO 187 Cb -0.08 -4.46 0.04 0.00 0.04 0.00 0.00 34.50 30.03 2a3r s PRO 187 CO -0.01 -2.87 -0.03 0.08 0.04 0.00 0.00 177.00 174.22 2a3r s VAL 188 N 9.64 0.76 -0.40 -0.36 1.01 -1.26 -1.72 120.40 128.06 2a3r s VAL 188 Ca 0.72 -0.28 -0.25 0.00 0.00 0.00 0.00 61.98 62.16 2a3r s VAL 188 Cb -0.13 -0.94 0.02 0.00 0.00 0.00 0.00 36.38 35.33 2a3r s VAL 188 CO 0.20 0.18 0.90 -0.22 0.00 0.00 0.00 175.10 176.16 2a3r s LEU 189 N 1.80 4.03 -0.40 3.92 2.96 0.60 -4.93 118.68 126.66 2a3r s LEU 189 Ca 0.03 0.36 -0.14 0.00 -0.22 0.00 0.00 54.13 54.16 2a3r s LEU 189 Cb -0.14 -3.19 0.02 0.00 0.50 0.00 0.00 46.19 43.39 2a3r s LEU 189 CO -0.07 -0.91 0.28 -0.47 -1.32 0.00 0.00 176.35 173.87 2a3r s TYR 190 N 3.51 3.24 0.36 5.38 6.14 -1.26 -0.22 117.35 134.49 2a3r s TYR 190 Ca 0.36 -0.68 0.08 0.00 0.64 0.00 0.00 57.07 57.47 2a3r s TYR 190 Cb -0.11 -2.58 -0.03 0.00 0.42 0.00 0.00 41.96 39.66 2a3r s TYR 190 CO 0.21 -0.61 0.31 -0.51 0.64 0.00 0.00 175.55 175.60 2a3r s LEU 191 N 1.65 3.54 -0.07 6.97 1.43 0.12 -4.98 118.68 127.35 2a3r s LEU 191 Ca 0.04 -0.56 0.04 0.00 -1.03 0.00 0.00 54.13 52.62 2a3r s LEU 191 Cb -0.19 -2.17 0.00 0.00 0.03 0.00 0.00 46.19 43.86 2a3r s LEU 191 CO 0.09 -0.43 -0.20 -0.36 0.23 0.00 0.00 176.35 175.68 2a3r s PHE 192 N -2.35 2.08 0.16 0.29 0.08 -1.26 -1.65 117.98 115.33 2a3r s PHE 192 Ca 0.43 -0.74 -0.16 0.00 0.12 0.00 0.00 56.93 56.57 2a3r s PHE 192 Cb -0.05 -1.41 0.08 0.00 -0.57 0.00 0.00 43.02 41.07 2a3r s PHE 192 CO 0.27 -0.29 1.72 -0.92 -0.10 0.00 0.00 175.22 175.90 2a3r h TYR 193 N 6.54 0.06 -0.69 0.36 5.03 -0.78 -1.48 116.97 126.03 2a3r h TYR 193 Ca -0.27 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.09 2a3r h TYR 193 Cb 1.20 0.03 -0.04 0.00 1.55 0.00 0.00 36.73 39.46 2a3r h TYR 193 CO 0.46 -0.02 0.43 0.93 -1.32 0.00 0.00 178.16 178.64 2a3r h GLU 194 N 0.16 0.81 -0.75 1.82 3.07 -1.92 0.16 114.58 117.92 2a3r h GLU 194 Ca 0.17 -0.05 0.01 0.00 -0.50 0.00 0.00 59.36 59.00 2a3r h GLU 194 Cb 0.22 -0.18 -0.04 0.00 -0.84 0.00 0.00 28.75 27.91 2a3r h GLU 194 CO -0.25 0.53 0.49 -0.44 -1.40 0.00 0.00 179.01 177.94 2a3r h ASP 195 N 0.83 0.84 -0.64 1.42 3.32 -1.81 0.28 116.42 120.65 2a3r h ASP 195 Ca 0.28 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.30 2a3r h ASP 195 Cb 0.03 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 2a3r h ASP 195 CO -0.11 0.60 0.35 0.24 -1.72 0.00 0.00 179.24 178.60 2a3r h MET 196 N 0.99 0.92 -0.15 3.56 2.86 -0.23 -0.76 114.93 122.12 2a3r h MET 196 Ca 0.28 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.78 2a3r h MET 196 Cb -0.08 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.39 2a3r h MET 196 CO -0.07 0.69 -0.05 0.87 1.06 0.00 0.00 176.91 179.40 2a3r h LYS 197 N 0.93 0.30 0.11 1.72 1.79 0.33 -2.85 116.57 118.90 2a3r h LYS 197 Ca 0.23 -0.12 0.01 0.00 -2.18 0.00 0.00 60.65 58.59 2a3r h LYS 197 Cb 0.04 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 2a3r h LYS 197 CO -0.04 0.60 -0.15 1.49 -1.08 0.00 0.00 179.45 180.27 2a3r h GLU 198 N -0.01 -0.30 -2.01 3.15 4.81 -0.13 -3.40 114.58 116.70 2a3r h GLU 198 Ca 0.04 0.02 -0.46 0.00 -0.13 0.00 0.00 59.36 58.82 2a3r h GLU 198 Cb 0.50 0.07 -0.32 0.00 0.63 0.00 0.00 28.75 29.63 2a3r h GLU 198 CO 0.02 -0.20 -0.83 1.21 -0.73 0.00 0.00 179.01 178.48 2a3r s ASN 199 N -4.93 0.77 0.12 1.04 3.04 -0.33 -5.03 114.94 109.62 2a3r s ASN 199 Ca -0.15 -2.56 -0.30 0.00 0.04 0.00 0.00 52.86 49.89 2a3r s ASN 199 Cb 0.07 0.23 -0.10 0.00 -1.54 0.00 0.00 41.25 39.91 2a3r s ASN 199 CO 0.66 -0.16 1.50 -0.65 -3.04 0.00 0.00 177.10 175.41 2a3r h PRO 200 N 5.69 -0.31 -0.88 0.43 0.11 -1.70 -2.18 132.00 133.16 2a3r h PRO 200 Ca 0.19 0.02 0.20 0.00 0.11 0.00 0.00 66.00 66.52 2a3r h PRO 200 Cb 0.98 0.07 -0.12 0.00 0.11 0.00 0.00 31.00 32.04 2a3r h PRO 200 CO 0.26 -0.20 0.40 -0.22 -0.21 0.00 0.00 178.00 178.02 2a3r h LYS 201 N -0.32 0.43 -0.85 1.05 3.64 -1.96 0.14 116.57 118.71 2a3r h LYS 201 Ca 0.08 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2a3r h LYS 201 Cb 0.53 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 2a3r h LYS 201 CO -0.59 0.28 0.55 -0.09 -2.27 0.00 0.00 179.45 177.33 2a3r h ARG 202 N 0.44 1.13 0.05 1.90 2.43 -1.80 -2.24 114.38 116.30 2a3r h ARG 202 Ca 0.54 -0.08 -0.14 0.00 -0.81 0.00 0.00 59.98 59.49 2a3r h ARG 202 Cb 0.97 -0.25 0.01 0.00 -0.42 0.00 0.00 29.97 30.28 2a3r h ARG 202 CO -0.49 0.76 -0.57 0.93 -1.51 0.00 0.00 179.97 179.08 2a3r h GLU 203 N 1.16 0.29 -0.53 0.20 4.39 -0.54 -3.12 114.58 116.43 2a3r h GLU 203 Ca 0.31 -0.39 0.06 0.00 0.34 0.00 0.00 59.36 59.69 2a3r h GLU 203 Cb -0.11 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 2a3r h GLU 203 CO -0.06 1.12 0.35 -0.84 -1.16 0.00 0.00 179.01 178.41 2a3r h ILE 204 N -0.35 0.98 -0.37 3.13 -0.00 -1.09 0.79 117.51 120.60 2a3r h ILE 204 Ca -0.09 -0.16 -0.08 0.00 -0.00 0.00 0.00 64.86 64.53 2a3r h ILE 204 Cb 1.36 0.47 -0.02 0.00 -0.00 0.00 0.00 36.82 38.63 2a3r h ILE 204 CO 0.11 0.09 -0.11 -0.61 -0.00 0.00 0.00 178.15 177.63 2a3r h GLN 205 N 0.47 0.65 -0.51 0.16 -0.00 -1.45 0.70 115.11 115.13 2a3r h GLN 205 Ca 0.23 -0.20 -0.06 0.00 -0.00 0.00 0.00 58.65 58.62 2a3r h GLN 205 Cb 0.31 -0.06 -0.02 0.00 0.00 0.00 0.00 27.48 27.70 2a3r h GLN 205 CO -0.06 0.74 0.06 0.87 0.00 0.00 0.00 178.83 180.44 2a3r h LYS 206 N 0.59 0.81 0.16 1.69 1.57 -0.80 -1.73 116.57 118.87 2a3r h LYS 206 Ca 0.11 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2a3r h LYS 206 Cb 0.53 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2a3r h LYS 206 CO 0.03 0.78 -0.08 0.82 -0.57 0.00 0.00 179.45 180.43 2a3r h ILE 207 N 0.77 0.96 -0.67 1.86 2.04 -0.52 -0.86 117.51 121.09 2a3r h ILE 207 Ca 0.16 -0.63 0.13 0.00 1.00 0.00 0.00 64.86 65.52 2a3r h ILE 207 Cb 0.38 1.34 -0.09 0.00 -0.74 0.00 0.00 36.82 37.71 2a3r h ILE 207 CO 0.01 0.15 0.18 -0.07 0.00 0.00 0.00 178.15 178.41 2a3r h LEU 208 N -0.53 0.06 -0.69 1.44 3.38 -0.77 0.54 115.31 118.75 2a3r h LEU 208 Ca -0.02 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2a3r h LEU 208 Cb 0.41 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 2a3r h LEU 208 CO 0.04 0.02 0.34 -0.08 0.09 0.00 0.00 178.44 178.84 2a3r h GLU 209 N 0.30 0.99 -0.19 1.13 4.81 -1.20 0.02 114.58 120.43 2a3r h GLU 209 Ca 0.36 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2a3r h GLU 209 Cb 0.57 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 2a3r h GLU 209 CO -0.43 0.77 0.12 0.35 -0.73 0.00 0.00 179.01 179.09 2a3r h PHE 210 N 0.96 0.24 -0.02 0.92 3.57 0.55 -1.76 116.94 121.40 2a3r h PHE 210 Ca 0.24 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.74 2a3r h PHE 210 Cb 0.10 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.76 2a3r h PHE 210 CO 0.00 0.17 0.00 1.33 -2.23 0.00 0.00 178.31 177.58 2a3r n VAL 211 N -4.94 0.02 -3.49 1.41 0.24 -0.58 -4.91 118.33 106.08 2a3r n VAL 211 Ca -0.04 -0.04 -0.19 0.00 -2.04 0.00 0.00 64.34 62.04 2a3r n VAL 211 Cb 0.04 -0.21 0.08 0.00 -1.47 0.00 0.00 33.84 32.28 2a3r n VAL 211 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2a3r n GLY 212 N 0.81 -0.38 3.50 7.63 0.00 -0.66 -5.03 105.19 111.07 2a3r n GLY 212 Ca 0.13 0.12 -0.24 0.00 0.00 0.00 0.00 46.02 46.03 2a3r n GLY 212 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2a3r s ARG 213 N -5.57 1.84 0.07 1.61 0.52 -0.06 -5.02 118.95 112.34 2a3r s ARG 213 Ca 0.08 -2.10 -0.08 0.00 -0.52 0.00 0.00 55.73 53.12 2a3r s ARG 213 Cb -0.04 -0.72 -0.01 0.00 0.52 0.00 0.00 34.95 34.71 2a3r s ARG 213 CO 0.74 -0.38 0.16 0.45 0.02 0.00 0.00 175.30 176.29 2a3r s SER 214 N -3.58 0.15 -0.02 0.23 0.15 -1.26 -4.30 113.70 105.08 2a3r s SER 214 Ca 0.27 -0.64 -0.13 0.00 0.70 0.00 0.00 55.95 56.15 2a3r s SER 214 Cb 0.04 0.31 0.02 0.00 -1.71 0.00 0.00 66.02 64.68 2a3r s SER 214 CO 0.14 -0.68 0.28 -0.76 1.20 0.00 0.00 173.24 173.42 2a3r s LEU 215 N -2.72 0.99 0.27 3.45 1.43 -1.26 -5.12 118.68 115.72 2a3r s LEU 215 Ca 0.03 0.05 -0.30 0.00 -1.03 0.00 0.00 54.13 52.88 2a3r s LEU 215 Cb 0.04 1.14 -0.11 0.00 0.03 0.00 0.00 46.19 47.29 2a3r s LEU 215 CO -0.10 -0.42 1.57 -2.84 0.23 0.00 0.00 176.35 174.80 2a3r s PRO 216 N -1.27 4.16 0.28 1.29 0.02 -1.26 -4.77 135.00 133.45 2a3r s PRO 216 Ca -0.13 2.51 -0.00 0.00 0.02 0.00 0.00 61.00 63.39 2a3r s PRO 216 Cb -0.06 -3.06 0.65 0.00 0.02 0.00 0.00 34.50 32.06 2a3r s PRO 216 CO 0.04 -0.60 1.45 -1.91 -0.33 0.00 0.00 177.00 175.65 2a3r n GLU 217 N 2.52 -0.08 0.21 5.54 4.07 -1.26 -0.25 120.64 131.39 2a3r n GLU 217 Ca 0.09 1.40 -0.15 0.00 -0.06 0.00 0.00 57.16 58.44 2a3r n GLU 217 Cb 0.38 -2.20 -0.08 0.00 -0.06 0.00 0.00 31.44 29.48 2a3r n GLU 217 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 2a3r h GLU 218 N 0.00 -0.72 -0.93 5.31 4.81 -2.00 -2.29 114.58 118.76 2a3r h GLU 218 Ca 0.54 0.05 0.17 0.00 -0.13 0.00 0.00 59.36 59.98 2a3r h GLU 218 Cb 1.06 0.16 -0.10 0.00 0.63 0.00 0.00 28.75 30.50 2a3r h GLU 218 CO -0.89 -0.48 0.52 1.15 -0.73 0.00 0.00 179.01 178.58 2a3r h THR 219 N -0.74 0.71 0.39 0.32 2.02 -0.98 -1.19 112.91 113.45 2a3r h THR 219 Ca -0.02 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 2a3r h THR 219 Cb 0.69 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 2a3r h THR 219 CO -0.10 0.13 -0.45 -0.03 0.37 0.00 0.00 175.52 175.44 2a3r h MET 220 N 0.69 -0.84 -0.96 6.66 1.85 -0.80 -1.53 114.93 120.00 2a3r h MET 220 Ca 0.52 0.06 0.19 0.00 -0.61 0.00 0.00 59.70 59.85 2a3r h MET 220 Cb 0.77 0.19 -0.11 0.00 0.43 0.00 0.00 31.60 32.89 2a3r h MET 220 CO -0.38 -0.56 0.55 -0.44 -0.40 0.00 0.00 176.91 175.69 2a3r h ASP 221 N -0.88 0.69 -0.50 1.39 3.32 -0.74 -0.72 116.42 118.98 2a3r h ASP 221 Ca -0.04 0.10 0.08 0.00 0.02 0.00 0.00 57.03 57.19 2a3r h ASP 221 Cb 0.79 -0.01 -0.06 0.00 0.22 0.00 0.00 39.33 40.26 2a3r h ASP 221 CO -0.10 0.23 0.13 0.15 -1.72 0.00 0.00 179.24 177.94 2a3r h PHE 222 N 0.70 0.22 0.25 4.55 3.57 -0.29 -2.36 116.94 123.57 2a3r h PHE 222 Ca 0.56 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 62.07 2a3r h PHE 222 Cb 0.87 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.59 2a3r h PHE 222 CO -0.04 0.03 -0.12 0.52 -2.23 0.00 0.00 178.31 176.48 2a3r h MET 223 N 0.28 -0.32 -0.99 1.11 2.86 -0.39 -2.47 114.93 115.02 2a3r h MET 223 Ca 0.25 0.02 0.36 0.00 -2.06 0.00 0.00 59.70 58.26 2a3r h MET 223 Cb 0.31 0.07 -0.17 0.00 0.06 0.00 0.00 31.60 31.87 2a3r h MET 223 CO -0.29 -0.21 0.41 0.28 1.06 0.00 0.00 176.91 178.16 2a3r h VAL 224 N -0.34 0.08 -0.08 -2.22 2.07 -0.94 0.83 116.25 115.66 2a3r h VAL 224 Ca -0.03 -0.03 -0.19 0.00 0.82 0.00 0.00 66.70 67.27 2a3r h VAL 224 Cb 0.26 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 2a3r h VAL 224 CO 0.06 0.01 -0.74 1.56 0.02 0.00 0.00 177.57 178.48 2a3r h GLN 225 N 0.07 0.42 -0.54 1.57 1.08 -1.09 -3.17 115.11 113.46 2a3r h GLN 225 Ca 0.75 -0.34 0.00 0.00 -1.45 0.00 0.00 58.65 57.61 2a3r h GLN 225 Cb 1.84 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 29.34 2a3r h GLN 225 CO -0.77 0.98 0.00 0.72 -0.95 0.00 0.00 178.83 178.82 2a3r n HIS 226 N -3.84 0.80 -0.59 2.96 8.25 0.27 -3.18 115.22 119.89 2a3r n HIS 226 Ca -0.04 -0.35 0.03 0.00 -0.26 0.00 0.00 57.72 57.09 2a3r n HIS 226 Cb 0.71 -0.08 0.04 0.00 1.12 0.00 0.00 29.99 31.78 2a3r n HIS 226 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2a3r n THR 227 N 0.81 1.03 -2.27 1.59 -2.24 -0.02 -4.62 114.28 108.55 2a3r n THR 227 Ca 0.17 -1.13 -0.32 0.00 -2.27 0.00 0.00 64.05 60.49 2a3r n THR 227 Cb 0.51 0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 69.08 2a3r n THR 227 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2a3r s SER 228 N -1.38 6.40 0.14 3.42 1.04 -1.19 -4.89 113.70 117.24 2a3r s SER 228 Ca 0.09 1.61 -0.18 0.00 0.48 0.00 0.00 55.95 57.95 2a3r s SER 228 Cb 0.08 -2.51 -0.02 0.00 0.10 0.00 0.00 66.02 63.67 2a3r s SER 228 CO 0.01 -0.74 1.80 0.15 0.98 0.00 0.00 173.24 175.43 2a3r h PHE 229 N 0.70 0.38 -0.14 5.02 3.57 -1.93 -0.73 116.94 123.81 2a3r h PHE 229 Ca -0.47 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.09 2a3r h PHE 229 Cb 1.19 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.74 2a3r h PHE 229 CO 0.63 0.24 -0.35 -0.22 -2.23 0.00 0.00 178.31 176.37 2a3r h LYS 230 N 0.41 -0.41 -0.06 1.11 1.63 -1.94 -0.18 116.57 117.14 2a3r h LYS 230 Ca 0.12 0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.94 2a3r h LYS 230 Cb -0.04 0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 31.68 2a3r h LYS 230 CO -0.03 -0.27 0.03 1.49 -3.45 0.00 0.00 179.45 177.22 2a3r h GLU 231 N -0.42 0.09 0.00 1.90 4.57 -1.79 -2.68 114.58 116.24 2a3r h GLU 231 Ca 0.09 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 2a3r h GLU 231 Cb 0.57 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 2a3r h GLU 231 CO -0.37 0.18 0.00 0.52 -1.18 0.00 0.00 179.01 178.15 2a3r h MET 232 N -0.02 0.00 -0.01 1.92 2.86 -0.96 -1.79 114.93 116.94 2a3r h MET 232 Ca 0.02 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.41 2a3r h MET 232 Cb 0.11 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.79 2a3r h MET 232 CO -0.00 0.00 -1.00 -0.22 1.06 0.00 0.00 176.91 176.75 2a3r h LYS 233 N 0.00 0.61 0.13 1.72 3.64 -0.69 -3.31 116.57 118.67 2a3r h LYS 233 Ca 0.00 -0.65 -0.30 0.00 -1.27 0.00 0.00 60.65 58.43 2a3r h LYS 233 Cb 0.28 0.18 0.03 0.00 -0.41 0.00 0.00 32.23 32.31 2a3r h LYS 233 CO 0.00 1.25 -1.26 0.87 -2.27 0.00 0.00 179.45 178.04 2a3r h LYS 234 N 0.35 0.57 -6.35 1.90 1.57 -1.31 -3.45 116.57 109.85 2a3r h LYS 234 Ca -0.11 -0.79 -0.53 0.00 -1.87 0.00 0.00 60.65 57.35 2a3r h LYS 234 Cb 1.64 0.27 0.02 0.00 0.08 0.00 0.00 32.23 34.24 2a3r h LYS 234 CO 0.19 1.36 1.24 -1.71 -0.57 0.00 0.00 179.45 179.96 2a3r n ASN 235 N -3.75 4.17 0.00 0.86 4.05 -0.72 -4.86 115.26 115.01 2a3r n ASN 235 Ca -0.13 0.89 0.13 0.00 0.45 0.00 0.00 54.58 55.92 2a3r n ASN 235 Cb 1.00 -1.53 0.57 0.00 1.23 0.00 0.00 39.78 41.04 2a3r n ASN 235 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 2a3r n PRO 236 N 7.57 0.00 -0.00 1.20 -0.04 -1.26 -1.87 135.00 140.60 2a3r n PRO 236 Ca 0.20 0.04 0.14 0.00 -0.04 0.00 0.00 63.50 63.84 2a3r n PRO 236 Cb 0.41 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.86 2a3r n PRO 236 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2a3r n MET 237 N -1.50 1.71 0.00 0.54 2.81 -1.26 -4.23 117.12 115.20 2a3r n MET 237 Ca 0.06 -1.04 0.00 0.00 -1.81 0.00 0.00 57.70 54.92 2a3r n MET 237 Cb 0.31 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 2a3r n MET 237 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2a3r n THR 238 N 0.26 0.00 0.50 2.03 -2.24 -1.16 -1.50 114.28 112.16 2a3r n THR 238 Ca 0.19 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.07 2a3r n THR 238 Cb 0.37 1.13 0.26 0.00 -2.10 0.00 0.00 70.33 70.00 2a3r n THR 238 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2a3r n ASN 239 N 0.00 2.93 -0.70 3.42 0.23 -0.78 -4.97 115.26 115.40 2a3r n ASN 239 Ca 0.00 -1.93 -0.09 0.00 -0.53 0.00 0.00 54.58 52.03 2a3r n ASN 239 Cb 0.04 -0.25 -0.04 0.00 -2.08 0.00 0.00 39.78 37.45 2a3r n ASN 239 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 2a3r n TYR 240 N 1.14 0.00 0.93 -2.53 4.02 -1.26 -4.57 117.16 114.88 2a3r n TYR 240 Ca 0.19 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.18 2a3r n TYR 240 Cb 0.51 -2.30 0.51 0.00 -0.02 0.00 0.00 39.34 38.04 2a3r n TYR 240 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2a3r n THR 241 N -2.37 0.40 1.55 -0.72 -2.24 -1.26 -3.07 114.28 106.57 2a3r n THR 241 Ca -0.09 0.10 0.13 0.00 -2.27 0.00 0.00 64.05 61.92 2a3r n THR 241 Cb 0.48 -0.74 0.55 0.00 -2.10 0.00 0.00 70.33 68.52 2a3r n THR 241 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2a3r n THR 242 N -1.35 0.06 -3.94 4.28 -2.24 -1.26 -4.86 114.28 104.98 2a3r n THR 242 Ca 0.09 -0.21 -0.29 0.00 -2.27 0.00 0.00 64.05 61.36 2a3r n THR 242 Cb 0.19 0.22 -0.04 0.00 -2.10 0.00 0.00 70.33 68.60 2a3r n THR 242 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2a3r s VAL 243 N -1.94 5.32 0.75 2.28 -7.23 -1.18 -5.07 120.40 113.33 2a3r s VAL 243 Ca 0.37 -0.53 -0.16 0.00 -1.81 0.00 0.00 61.98 59.85 2a3r s VAL 243 Cb 0.19 -3.65 -0.02 0.00 0.56 0.00 0.00 36.38 33.46 2a3r s VAL 243 CO 0.31 0.05 0.58 -2.65 -0.31 0.00 0.00 175.10 173.08 2a3r n PRO 244 N -0.03 0.26 0.00 4.82 -0.02 -1.26 -4.77 135.00 134.00 2a3r n PRO 244 Ca -0.06 0.13 0.10 0.00 -2.02 0.00 0.00 63.50 61.66 2a3r n PRO 244 Cb 0.52 -1.89 0.61 0.00 -0.02 0.00 0.00 33.50 32.72 2a3r n PRO 244 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2a3r n GLN 245 N -1.01 0.90 0.01 -0.52 -0.00 -1.25 -2.15 117.38 113.37 2a3r n GLN 245 Ca 0.10 0.00 0.11 0.00 -0.00 0.00 0.00 57.00 57.21 2a3r n GLN 245 Cb 0.50 -1.35 -0.02 0.00 -0.00 0.00 0.00 30.24 29.37 2a3r n GLN 245 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 2a3r n GLU 246 N -0.85 0.24 -0.13 2.61 0.28 -1.26 -4.02 120.64 117.51 2a3r n GLU 246 Ca 0.15 -0.03 -0.25 0.00 -0.16 0.00 0.00 57.16 56.87 2a3r n GLU 246 Cb 0.07 -1.55 -0.08 0.00 1.43 0.00 0.00 31.44 31.30 2a3r n GLU 246 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2a3r n LEU 247 N -1.85 1.89 -3.88 -1.84 7.99 -1.04 -4.58 117.00 113.68 2a3r n LEU 247 Ca 0.02 0.33 -0.23 0.00 -0.01 0.00 0.00 56.01 56.11 2a3r n LEU 247 Cb 0.42 -0.78 -0.17 0.00 -0.11 0.00 0.00 43.42 42.78 2a3r n LEU 247 CO 0.41 0.41 -0.42 -0.04 -1.51 0.00 0.00 177.39 176.24 2a3r s MET 248 N -2.56 1.10 -0.81 3.23 -1.94 -0.91 -1.10 119.30 116.32 2a3r s MET 248 Ca -0.36 -0.14 -0.03 0.00 -1.71 0.00 0.00 55.69 53.46 2a3r s MET 248 Cb 0.13 -1.17 0.20 0.00 2.01 0.00 0.00 34.83 35.99 2a3r s MET 248 CO 0.46 -0.18 0.67 0.34 -0.01 0.00 0.00 175.02 176.31 2a3r s ASP 249 N 1.38 5.81 0.62 3.03 -1.08 0.40 -3.86 116.67 122.97 2a3r s ASP 249 Ca -0.03 -3.39 0.28 0.00 -0.52 0.00 0.00 52.55 48.90 2a3r s ASP 249 Cb -0.13 -1.91 1.54 0.00 -1.46 0.00 0.00 42.92 40.95 2a3r s ASP 249 CO -0.03 -0.26 1.86 0.45 0.52 0.00 0.00 175.17 177.70 2a3r h HIS 250 N 6.44 0.00 0.00 -5.34 3.86 -1.84 -0.93 115.15 117.33 2a3r h HIS 250 Ca 0.10 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.19 2a3r h HIS 250 Cb 0.87 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.32 2a3r h HIS 250 CO 0.74 0.00 -0.56 0.66 0.86 0.00 0.00 177.93 179.63 2a3r h SER 251 N 0.00 0.00 0.34 2.45 4.64 -1.97 -2.98 113.55 116.03 2a3r h SER 251 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2a3r h SER 251 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2a3r h SER 251 CO 0.00 0.56 -0.16 0.40 -0.87 0.00 0.00 176.83 176.75 2a3r h ILE 252 N 0.00 0.48 -2.22 0.95 2.04 -1.57 -3.46 117.51 113.73 2a3r h ILE 252 Ca -0.01 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 2a3r h ILE 252 Cb 1.03 0.75 -0.23 0.00 -0.74 0.00 0.00 36.82 37.62 2a3r h ILE 252 CO 0.07 0.10 -0.17 -0.55 0.00 0.00 0.00 178.15 177.60 2a3r s SER 253 N -5.08 -0.79 0.67 1.72 0.15 -1.19 -4.96 113.70 104.21 2a3r s SER 253 Ca -0.12 1.32 -0.17 0.00 0.70 0.00 0.00 55.95 57.67 2a3r s SER 253 Cb 0.01 1.60 0.00 0.00 -1.71 0.00 0.00 66.02 65.92 2a3r s SER 253 CO 0.43 -0.22 1.26 -2.84 1.20 0.00 0.00 173.24 173.07 2a3r s PRO 254 N 2.27 2.47 0.18 5.44 0.02 -1.13 -4.34 135.00 139.90 2a3r s PRO 254 Ca -0.07 1.97 -0.09 0.00 0.02 0.00 0.00 61.00 62.83 2a3r s PRO 254 Cb -0.10 -1.85 0.06 0.00 0.02 0.00 0.00 34.50 32.64 2a3r s PRO 254 CO -0.17 -1.64 1.64 0.35 -0.33 0.00 0.00 177.00 176.85 2a3r h PHE 255 N 0.35 1.16 -2.95 6.54 3.57 -1.88 -3.26 116.94 120.47 2a3r h PHE 255 Ca -0.50 -0.20 -0.74 0.00 3.53 0.00 0.00 57.97 60.06 2a3r h PHE 255 Cb 1.32 -0.30 -0.22 0.00 2.79 0.00 0.00 35.95 39.54 2a3r h PHE 255 CO 0.43 1.02 0.65 -1.64 -2.23 0.00 0.00 178.31 176.54 2a3r s MET 256 N -5.03 3.77 -0.01 1.11 -1.94 -1.26 -4.91 119.30 111.03 2a3r s MET 256 Ca -0.12 -2.32 -0.02 0.00 -1.71 0.00 0.00 55.69 51.52 2a3r s MET 256 Cb 0.13 -4.75 -0.01 0.00 2.01 0.00 0.00 34.83 32.22 2a3r s MET 256 CO 0.86 -1.55 0.36 -0.09 -0.01 0.00 0.00 175.02 174.59 2a3r h ARG 257 N 7.91 -0.05 0.00 2.03 2.43 -1.96 -3.47 114.38 121.28 2a3r h ARG 257 Ca 0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2a3r h ARG 257 Cb 0.98 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 2a3r h ARG 257 CO 1.01 -0.04 -0.22 1.63 -1.51 0.00 0.00 179.97 180.85 2a3r n LYS 258 N -2.36 0.80 -2.76 0.20 5.02 -1.26 -5.00 118.16 112.79 2a3r n LYS 258 Ca -0.01 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.08 2a3r n LYS 258 Cb 0.02 -0.61 0.02 0.00 -0.02 0.00 0.00 35.03 34.44 2a3r n LYS 258 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2a3r n GLY 259 N 1.11 -0.44 3.17 0.72 0.00 -1.26 -4.99 105.19 103.50 2a3r n GLY 259 Ca 0.00 0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 2a3r n GLY 259 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2a3r s MET 260 N -5.40 1.37 -0.04 1.61 1.00 -1.26 -5.00 119.30 111.59 2a3r s MET 260 Ca 0.19 -0.66 -0.23 0.00 0.00 0.00 0.00 55.69 54.99 2a3r s MET 260 Cb -0.08 -1.34 -0.04 0.00 0.00 0.00 0.00 34.83 33.36 2a3r s MET 260 CO 0.23 0.36 0.68 0.00 0.00 0.00 0.00 175.02 176.29 2a3r s ALA 261 N -0.48 3.38 0.00 3.03 0.00 -1.26 -3.85 121.76 122.59 2a3r s ALA 261 Ca 0.06 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.14 2a3r s ALA 261 Cb -0.07 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.15 2a3r s ALA 261 CO -0.00 -0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.15 2a3r n GLY 262 N 2.86 0.63 0.00 0.00 0.00 -1.25 -4.60 105.19 102.83 2a3r n GLY 262 Ca -0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.07 2a3r n GLY 262 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2a3r n ASP 263 N 0.00 0.00 0.15 1.61 2.03 -1.25 -2.99 116.55 116.10 2a3r n ASP 263 Ca 0.00 0.30 0.02 0.00 0.52 0.00 0.00 54.79 55.62 2a3r n ASP 263 Cb 0.00 -0.40 0.36 0.00 -0.72 0.00 0.00 41.12 40.35 2a3r n ASP 263 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 2a3r h TRP 264 N 0.00 0.15 -0.03 -0.67 5.08 -1.89 -2.92 115.95 115.67 2a3r h TRP 264 Ca 0.00 -0.03 0.01 0.00 1.08 0.00 0.00 58.89 59.95 2a3r h TRP 264 Cb 0.22 -0.04 -0.00 0.00 -3.00 0.00 0.00 29.16 26.34 2a3r h TRP 264 CO 0.00 0.40 0.33 0.87 -1.28 0.00 0.00 178.44 178.76 2a3r h LYS 265 N 0.13 0.00 -0.63 0.12 1.57 -1.88 0.27 116.57 116.14 2a3r h LYS 265 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2a3r h LYS 265 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2a3r h LYS 265 CO 0.04 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.17 2a3r n THR 266 N -2.97 0.84 0.00 -0.16 -2.24 -1.10 -4.44 114.28 104.22 2a3r n THR 266 Ca -0.01 -0.87 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 2a3r n THR 266 Cb 0.39 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 2a3r n THR 266 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2a3r n THR 267 N 1.43 0.00 -2.19 4.28 -1.04 0.84 -5.04 114.28 112.56 2a3r n THR 267 Ca 0.22 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.82 2a3r n THR 267 Cb 0.56 -0.60 -0.03 0.00 -1.82 0.00 0.00 70.33 68.45 2a3r n THR 267 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2a3r s PHE 268 N -1.80 3.21 0.55 -1.42 0.40 -0.59 -5.02 117.98 113.31 2a3r s PHE 268 Ca 0.00 1.27 -0.04 0.00 -0.60 0.00 0.00 56.93 57.56 2a3r s PHE 268 Cb 0.00 -3.62 0.01 0.00 0.51 0.00 0.00 43.02 39.92 2a3r s PHE 268 CO 0.00 -1.87 0.84 0.95 0.70 0.00 0.00 175.22 175.84 2a3r s THR 269 N -0.24 3.67 0.25 0.64 -4.23 -1.26 -4.87 115.64 109.61 2a3r s THR 269 Ca 0.55 -0.17 -0.04 0.00 -1.18 0.00 0.00 61.69 60.84 2a3r s THR 269 Cb -0.37 -3.43 0.24 0.00 1.34 0.00 0.00 72.50 70.28 2a3r s THR 269 CO 0.42 -0.40 1.88 0.58 -0.54 0.00 0.00 174.62 176.56 2a3r h VAL 270 N -0.02 1.09 -0.15 2.29 2.07 -1.98 -0.36 116.25 119.20 2a3r h VAL 270 Ca -0.45 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 2a3r h VAL 270 Cb 1.26 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2a3r h VAL 270 CO 0.59 0.20 0.08 0.00 0.02 0.00 0.00 177.57 178.47 2a3r h ALA 271 N 1.42 0.19 -0.58 1.67 0.00 -2.00 -1.77 119.26 118.19 2a3r h ALA 271 Ca 0.40 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.27 2a3r h ALA 271 Cb 0.12 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2a3r h ALA 271 CO -0.16 -0.28 0.36 1.96 0.00 0.00 0.00 179.25 181.13 2a3r h GLN 272 N 0.14 0.69 -0.18 0.00 4.20 -1.80 -1.84 115.11 116.31 2a3r h GLN 272 Ca 0.05 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 2a3r h GLN 272 Cb 0.07 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 2a3r h GLN 272 CO -0.01 0.46 0.04 -0.97 -0.67 0.00 0.00 178.83 177.68 2a3r h ASN 273 N 0.71 0.23 -0.02 1.46 -1.24 -0.79 -0.52 115.58 115.41 2a3r h ASN 273 Ca 0.23 -0.02 -0.17 0.00 0.71 0.00 0.00 56.30 57.05 2a3r h ASN 273 Cb 0.00 -0.06 0.01 0.00 0.73 0.00 0.00 38.32 39.01 2a3r h ASN 273 CO -0.09 0.25 -0.66 -0.33 -1.29 0.00 0.00 177.43 175.31 2a3r h GLU 274 N 0.26 0.49 -0.91 6.67 5.08 -0.81 -2.33 114.58 123.03 2a3r h GLU 274 Ca 0.06 -0.49 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 2a3r h GLU 274 Cb 0.12 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 2a3r h GLU 274 CO -0.00 1.14 0.52 -0.09 -1.00 0.00 0.00 179.01 179.57 2a3r h ARG 275 N 0.03 1.26 -0.29 2.33 2.43 -1.02 -2.66 114.38 116.47 2a3r h ARG 275 Ca -0.08 -0.14 -0.15 0.00 -0.81 0.00 0.00 59.98 58.81 2a3r h ARG 275 Cb 1.35 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 30.64 2a3r h ARG 275 CO 0.13 0.91 -0.40 0.35 -1.51 0.00 0.00 179.97 179.45 2a3r h PHE 276 N 1.27 0.95 -0.78 2.20 3.04 -1.13 -2.76 116.94 119.73 2a3r h PHE 276 Ca 0.32 -0.31 -0.04 0.00 3.98 0.00 0.00 57.97 61.91 2a3r h PHE 276 Cb 0.00 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 38.29 2a3r h PHE 276 CO 0.01 1.10 0.31 -0.44 -2.02 0.00 0.00 178.31 177.27 2a3r h ASP 277 N 0.53 1.08 -0.12 0.41 3.32 -1.24 0.35 116.42 120.74 2a3r h ASP 277 Ca 0.03 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 2a3r h ASP 277 Cb 0.99 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 2a3r h ASP 277 CO 0.09 0.95 0.03 0.00 -1.72 0.00 0.00 179.24 178.60 2a3r h ALA 278 N 1.16 0.16 -0.46 3.45 0.00 -1.50 -1.20 119.26 120.88 2a3r h ALA 278 Ca 0.26 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2a3r h ALA 278 Cb 0.21 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2a3r h ALA 278 CO -0.02 -0.20 0.29 0.22 0.00 0.00 0.00 179.25 179.54 2a3r h ASP 279 N -0.00 0.49 -0.43 0.00 3.58 -1.33 -2.54 116.42 116.18 2a3r h ASP 279 Ca 0.04 -0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.43 2a3r h ASP 279 Cb 0.26 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 2a3r h ASP 279 CO 0.00 0.35 0.08 0.22 -2.88 0.00 0.00 179.24 177.01 2a3r h TYR 280 N 0.58 0.81 -0.74 0.28 5.03 -0.84 -2.14 116.97 119.95 2a3r h TYR 280 Ca 0.17 -0.09 -0.02 0.00 2.58 0.00 0.00 58.73 61.38 2a3r h TYR 280 Cb -0.03 -0.23 -0.04 0.00 1.55 0.00 0.00 36.73 37.98 2a3r h TYR 280 CO -0.06 0.71 0.40 0.00 -1.32 0.00 0.00 178.16 177.89 2a3r h ALA 281 N 1.34 1.30 -0.23 1.82 0.00 -0.82 -0.39 119.26 122.29 2a3r h ALA 281 Ca 0.16 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 2a3r h ALA 281 Cb 0.34 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2a3r h ALA 281 CO 0.01 0.56 -0.65 0.93 0.00 0.00 0.00 179.25 180.10 2a3r h GLU 282 N 1.04 0.82 -0.00 0.00 5.08 -1.09 -2.84 114.58 117.58 2a3r h GLU 282 Ca 0.26 -0.58 -0.18 0.00 -1.00 0.00 0.00 59.36 57.87 2a3r h GLU 282 Cb 0.04 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2a3r h GLU 282 CO -0.04 1.20 -0.81 0.87 -1.00 0.00 0.00 179.01 179.24 2a3r h LYS 283 N 0.60 0.11 -0.66 2.33 1.57 -1.09 -3.25 116.57 116.18 2a3r h LYS 283 Ca -0.01 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2a3r h LYS 283 Cb 1.26 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2a3r h LYS 283 CO 0.14 0.86 0.00 -1.33 -0.57 0.00 0.00 179.45 178.54 2a3r n MET 284 N -3.66 2.63 0.00 3.15 2.81 -0.18 -4.80 117.12 117.06 2a3r n MET 284 Ca -0.02 -2.52 0.00 0.00 -1.81 0.00 0.00 57.70 53.35 2a3r n MET 284 Cb 0.76 -1.55 0.00 0.00 -0.71 0.00 0.00 33.22 31.72 2a3r n MET 284 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2a3r n ALA 285 N 1.57 0.00 -0.41 3.04 0.00 -1.07 -2.08 120.51 121.56 2a3r n ALA 285 Ca 0.23 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.61 2a3r n ALA 285 Cb 0.60 0.34 0.20 0.00 0.00 0.00 0.00 19.45 20.59 2a3r n ALA 285 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a3r n GLY 286 N -0.98 3.14 3.85 0.00 0.00 -1.26 -4.94 105.19 104.99 2a3r n GLY 286 Ca 0.00 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 44.97 2a3r n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a3r n SER 288 N 1.84 0.00 -4.75 0.00 3.41 -1.26 -4.84 113.62 108.02 2a3r n SER 288 Ca -0.18 -0.24 -0.41 0.00 -0.26 0.00 0.00 58.87 57.78 2a3r n SER 288 Cb 0.54 -0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.22 2a3r n SER 288 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2a3r s LEU 289 N -2.48 4.43 -0.06 1.04 1.43 -1.26 -5.03 118.68 116.74 2a3r s LEU 289 Ca 0.29 2.45 0.00 0.00 -1.03 0.00 0.00 54.13 55.85 2a3r s LEU 289 Cb 0.19 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.82 2a3r s LEU 289 CO 0.42 -0.50 -0.03 -0.55 0.23 0.00 0.00 176.35 175.91 2a3r s SER 290 N 0.10 1.31 0.04 2.29 0.15 -1.26 -5.12 113.70 111.20 2a3r s SER 290 Ca 0.54 -0.13 0.06 0.00 0.70 0.00 0.00 55.95 57.12 2a3r s SER 290 Cb -0.37 -0.49 -0.03 0.00 -1.71 0.00 0.00 66.02 63.42 2a3r s SER 290 CO 0.41 -0.11 -0.15 -0.36 1.20 0.00 0.00 173.24 174.23 2a3r s PHE 291 N 1.37 2.65 -0.38 3.44 0.40 -1.26 -5.10 117.98 119.10 2a3r s PHE 291 Ca -0.04 -0.20 -0.13 0.00 -0.60 0.00 0.00 56.93 55.96 2a3r s PHE 291 Cb -0.13 -1.50 0.01 0.00 0.51 0.00 0.00 43.02 41.91 2a3r s PHE 291 CO -0.03 0.29 0.26 1.03 0.70 0.00 0.00 175.22 177.47 2a3r s ARG 292 N -1.49 3.13 0.00 0.44 0.52 -1.26 -4.96 118.95 115.33 2a3r s ARG 292 Ca 0.16 -0.90 0.10 0.00 -0.52 0.00 0.00 55.73 54.57 2a3r s ARG 292 Cb -0.11 -3.86 0.47 0.00 0.52 0.00 0.00 34.95 31.97 2a3r s ARG 292 CO 0.06 -0.63 1.25 0.43 0.02 0.00 0.00 175.30 176.44 2a3r n SER 293 N 5.11 0.00 -3.64 0.23 7.64 -1.26 -4.70 113.62 117.00 2a3r n SER 293 Ca -0.12 0.31 0.01 0.00 1.01 0.00 0.00 58.87 60.07 2a3r n SER 293 Cb 0.48 -0.38 -0.01 0.00 -1.01 0.00 0.00 64.21 63.29 2a3r n SER 293 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2a3r s GLU 294 N -2.77 0.51 0.00 1.43 -1.05 -1.26 -3.77 118.70 111.79 2a3r s GLU 294 Ca 0.07 -0.28 0.18 0.00 -0.15 0.00 0.00 54.97 54.79 2a3r s GLU 294 Cb 0.07 0.18 0.14 0.00 -0.44 0.00 0.00 34.13 34.07 2a3r s GLU 294 CO 0.16 -0.23 1.06 1.28 0.95 0.00 0.00 175.26 178.49