#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3aay n ALA 2 N 0.00 2.17 0.09 3.04 0.00 -0.98 -4.95 120.51 119.89 3aay n ALA 2 Ca 0.00 -3.03 -0.10 0.00 0.00 0.00 0.00 53.44 50.31 3aay n ALA 2 Cb 0.00 -0.85 -0.06 0.00 0.00 0.00 0.00 19.45 18.54 3aay n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3aay h ARG 3 N 4.75 -0.30 -0.14 0.00 3.08 -1.86 -3.03 114.38 116.87 3aay h ARG 3 Ca 0.14 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.23 3aay h ARG 3 Cb 0.91 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.03 3aay h ARG 3 CO 0.39 0.04 0.10 0.00 -1.07 0.00 0.00 179.97 179.42 3aay h ASP 5 N 0.12 0.00 0.00 0.00 3.32 -1.99 -3.35 116.42 114.52 3aay h ASP 5 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3aay h ASP 5 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3aay h ASP 5 CO -0.01 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.84 3aay n VAL 6 N -2.80 0.00 -3.86 -1.35 0.24 -0.51 -4.76 118.33 105.29 3aay n VAL 6 Ca 0.03 -0.37 -0.12 0.00 -2.04 0.00 0.00 64.34 61.84 3aay n VAL 6 Cb 0.40 1.05 -0.14 0.00 -1.47 0.00 0.00 33.84 33.68 3aay n VAL 6 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3aay s LEU 7 N -1.19 1.87 0.10 1.34 2.96 0.00 -1.28 118.68 122.48 3aay s LEU 7 Ca 0.00 0.05 0.07 0.00 -0.22 0.00 0.00 54.13 54.03 3aay s LEU 7 Cb 0.00 0.08 -0.03 0.00 0.50 0.00 0.00 46.19 46.73 3aay s LEU 7 CO 0.00 -0.01 -0.18 0.68 -1.32 0.00 0.00 176.35 175.51 3aay s VAL 8 N 0.06 1.52 0.57 1.68 -7.23 -0.49 -4.46 120.40 112.05 3aay s VAL 8 Ca -0.00 -1.50 -0.11 0.00 -1.81 0.00 0.00 61.98 58.55 3aay s VAL 8 Cb -0.01 -1.43 -0.05 0.00 0.56 0.00 0.00 36.38 35.46 3aay s VAL 8 CO -0.00 -0.14 0.97 -0.94 -0.31 0.00 0.00 175.10 174.68 3aay s SER 9 N -1.92 6.34 0.40 4.85 1.04 -1.26 -0.98 113.70 122.16 3aay s SER 9 Ca 0.04 1.37 0.13 0.00 0.48 0.00 0.00 55.95 57.98 3aay s SER 9 Cb -0.10 -2.44 0.95 0.00 0.10 0.00 0.00 66.02 64.53 3aay s SER 9 CO 0.04 -0.74 1.90 0.00 0.98 0.00 0.00 173.24 175.41 3aay h ALA 10 N 0.12 1.99 -0.18 5.32 0.00 -1.95 -0.38 119.26 124.18 3aay h ALA 10 Ca -0.45 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 3aay h ALA 10 Cb 1.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3aay h ALA 10 CO 0.62 -0.21 0.07 0.22 0.00 0.00 0.00 179.25 179.95 3aay h ASP 11 N 0.53 0.25 -0.44 0.00 3.58 -1.97 -0.31 116.42 118.06 3aay h ASP 11 Ca 0.40 -0.16 -0.02 0.00 0.42 0.00 0.00 57.03 57.67 3aay h ASP 11 Cb 0.79 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.76 3aay h ASP 11 CO -0.15 0.34 0.19 -0.25 -2.88 0.00 0.00 179.24 176.49 3aay h TRP 12 N 0.14 0.65 0.02 0.28 7.01 -1.80 -2.63 115.95 119.63 3aay h TRP 12 Ca 0.06 -0.04 0.03 0.00 2.11 0.00 0.00 58.89 61.05 3aay h TRP 12 Cb 0.17 -0.20 -0.04 0.00 -2.10 0.00 0.00 29.16 26.99 3aay h TRP 12 CO -0.01 0.55 -0.22 0.00 -2.79 0.00 0.00 178.44 175.96 3aay h ALA 13 N 1.04 -0.31 -0.25 2.65 0.00 -0.85 -1.25 119.26 120.30 3aay h ALA 13 Ca 0.15 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3aay h ALA 13 Cb 0.15 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3aay h ALA 13 CO -0.02 -0.73 0.14 1.49 0.00 0.00 0.00 179.25 180.14 3aay h GLU 14 N -0.37 0.33 0.00 0.00 4.81 -1.01 0.15 114.58 118.49 3aay h GLU 14 Ca 0.05 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3aay h GLU 14 Cb 0.44 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.74 3aay h GLU 14 CO -0.19 0.24 0.00 0.43 -0.73 0.00 0.00 179.01 178.76 3aay n SER 15 N -4.48 0.09 -0.35 1.04 7.64 -0.73 -3.64 113.62 113.19 3aay n SER 15 Ca 0.01 0.51 0.06 0.00 1.01 0.00 0.00 58.87 60.46 3aay n SER 15 Cb 0.09 -0.54 0.10 0.00 -1.01 0.00 0.00 64.21 62.85 3aay n SER 15 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3aay n ASN 16 N -1.59 1.47 -0.31 6.43 4.13 0.43 -4.80 115.26 121.03 3aay n ASN 16 Ca 0.06 -2.77 0.11 0.00 1.68 0.00 0.00 54.58 53.65 3aay n ASN 16 Cb 0.29 -0.36 0.34 0.00 -1.54 0.00 0.00 39.78 38.51 3aay n ASN 16 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 3aay h LEU 17 N 0.17 0.74 -3.33 3.41 3.38 -1.42 -1.69 115.31 116.57 3aay h LEU 17 Ca -0.01 0.05 -0.21 0.00 0.09 0.00 0.00 57.88 57.79 3aay h LEU 17 Cb 1.18 -0.09 -0.14 0.00 0.09 0.00 0.00 40.66 41.70 3aay h LEU 17 CO 0.01 0.36 -0.34 1.41 0.09 0.00 0.00 178.44 179.97 3aay n HIS 18 N -4.60 1.12 -2.45 1.13 8.25 -1.26 -4.94 115.22 112.47 3aay n HIS 18 Ca 0.19 -1.76 -0.37 0.00 -0.26 0.00 0.00 57.72 55.52 3aay n HIS 18 Cb 0.46 -0.42 -0.03 0.00 1.12 0.00 0.00 29.99 31.12 3aay n HIS 18 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3aay s ALA 19 N -3.34 3.10 0.29 -1.41 0.00 -0.64 -4.99 121.76 114.76 3aay s ALA 19 Ca 0.44 0.80 -0.30 0.00 0.00 0.00 0.00 51.96 52.91 3aay s ALA 19 Cb 0.40 -3.31 -0.11 0.00 0.00 0.00 0.00 23.12 20.10 3aay s ALA 19 CO -0.02 -0.34 1.50 -1.25 0.00 0.00 0.00 175.76 175.65 3aay s PRO 20 N -2.42 4.19 -1.74 0.00 0.04 -1.26 -2.89 135.00 130.93 3aay s PRO 20 Ca 0.58 2.44 0.00 0.00 0.04 0.00 0.00 61.00 64.06 3aay s PRO 20 Cb -0.25 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.23 3aay s PRO 20 CO 0.32 -0.51 0.00 1.63 0.04 0.00 0.00 177.00 178.48 3aay n LYS 21 N 1.97 -1.72 -5.02 4.56 5.02 -1.26 -4.97 118.16 116.74 3aay n LYS 21 Ca 0.06 0.98 -0.32 0.00 -2.02 0.00 0.00 58.31 57.01 3aay n LYS 21 Cb 0.39 -5.59 -0.16 0.00 -0.02 0.00 0.00 35.03 29.65 3aay n LYS 21 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3aay s VAL 22 N -2.92 2.45 -0.06 -0.18 1.01 -1.14 -1.10 120.40 118.45 3aay s VAL 22 Ca 0.00 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.13 3aay s VAL 22 Cb 0.00 -1.98 0.01 0.00 0.00 0.00 0.00 36.38 34.41 3aay s VAL 22 CO 0.00 0.54 -0.13 0.54 0.00 0.00 0.00 175.10 176.05 3aay s VAL 23 N 0.37 1.19 -0.10 2.92 0.11 -0.15 -4.81 120.40 119.93 3aay s VAL 23 Ca -0.15 -0.52 -0.14 0.00 -2.93 0.00 0.00 61.98 58.24 3aay s VAL 23 Cb -0.17 -1.07 -0.05 0.00 -1.53 0.00 0.00 36.38 33.56 3aay s VAL 23 CO 0.07 0.36 0.35 -0.36 -3.33 0.00 0.00 175.10 172.19 3aay s PHE 24 N 0.57 3.57 -0.11 1.54 0.40 -1.26 -0.90 117.98 121.79 3aay s PHE 24 Ca -0.13 0.77 -0.01 0.00 -0.60 0.00 0.00 56.93 56.96 3aay s PHE 24 Cb -0.15 -2.32 0.03 0.00 0.51 0.00 0.00 43.02 41.09 3aay s PHE 24 CO 0.04 0.41 -0.05 0.08 0.70 0.00 0.00 175.22 176.40 3aay s VAL 25 N -0.17 0.85 -0.22 -0.44 1.01 -0.07 -1.13 120.40 120.23 3aay s VAL 25 Ca 0.20 -0.22 -0.14 0.00 0.00 0.00 0.00 61.98 61.82 3aay s VAL 25 Cb -0.14 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 3aay s VAL 25 CO 0.08 0.30 0.33 -0.70 0.00 0.00 0.00 175.10 175.11 3aay s GLU 26 N 1.78 4.12 -0.12 2.72 2.12 0.37 -1.76 118.70 127.92 3aay s GLU 26 Ca 0.04 0.04 0.02 0.00 0.36 0.00 0.00 54.97 55.44 3aay s GLU 26 Cb -0.13 -3.56 0.01 0.00 0.26 0.00 0.00 34.13 30.72 3aay s GLU 26 CO -0.07 -0.05 -0.18 0.08 -0.54 0.00 0.00 175.26 174.50 3aay s VAL 27 N 1.35 1.74 0.33 3.70 1.01 -0.36 -1.48 120.40 126.68 3aay s VAL 27 Ca 0.15 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 3aay s VAL 27 Cb -0.15 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.68 3aay s VAL 27 CO 0.07 0.49 0.48 -0.62 0.00 0.00 0.00 175.10 175.52 3aay s ASP 28 N 0.90 0.66 0.59 3.32 -1.08 -1.23 -3.79 116.67 116.04 3aay s ASP 28 Ca -0.07 -1.37 0.37 0.00 -0.52 0.00 0.00 52.55 50.96 3aay s ASP 28 Cb -0.15 0.65 1.73 0.00 -1.46 0.00 0.00 42.92 43.69 3aay s ASP 28 CO -0.01 -1.28 2.12 1.05 0.52 0.00 0.00 175.17 177.56 3aay h GLU 29 N 2.14 0.00 0.00 4.34 4.11 -1.95 -1.17 114.58 122.05 3aay h GLU 29 Ca -0.28 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.01 3aay h GLU 29 Cb 1.24 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 3aay h GLU 29 CO 0.39 0.00 -0.05 -0.40 0.07 0.00 0.00 179.01 179.01 3aay n ASP 30 N -3.08 -0.77 -1.11 3.06 5.68 -1.26 -4.27 116.55 114.79 3aay n ASP 30 Ca -0.01 -1.99 0.09 0.00 -0.50 0.00 0.00 54.79 52.39 3aay n ASP 30 Cb 0.23 1.42 0.26 0.00 -1.14 0.00 0.00 41.12 41.89 3aay n ASP 30 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3aay n THR 31 N -0.30 1.25 -0.18 2.12 -2.24 -1.26 -4.63 114.28 109.04 3aay n THR 31 Ca -0.00 -1.10 -0.04 0.00 -2.27 0.00 0.00 64.05 60.64 3aay n THR 31 Cb 0.31 0.38 0.06 0.00 -2.10 0.00 0.00 70.33 68.98 3aay n THR 31 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3aay h SER 32 N 3.27 0.40 0.25 3.42 4.64 -1.98 0.11 113.55 123.67 3aay h SER 32 Ca 0.00 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 3aay h SER 32 Cb 1.02 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3aay h SER 32 CO 0.06 0.28 -0.12 0.00 -0.87 0.00 0.00 176.83 176.17 3aay h ALA 33 N 1.29 -0.34 -0.97 5.18 0.00 -1.92 -2.46 119.26 120.04 3aay h ALA 33 Ca 0.24 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.12 3aay h ALA 33 Cb 0.14 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 3aay h ALA 33 CO -0.16 -0.68 0.62 -0.92 0.00 0.00 0.00 179.25 178.11 3aay h TYR 34 N -0.36 1.16 0.00 0.00 5.03 -1.52 -1.51 116.97 119.78 3aay h TYR 34 Ca -0.03 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.25 3aay h TYR 34 Cb 0.28 -0.38 -0.01 0.00 1.55 0.00 0.00 36.73 38.16 3aay h TYR 34 CO -0.05 0.63 -0.29 -0.44 -1.32 0.00 0.00 178.16 176.69 3aay h ASP 35 N 1.16 0.00 0.28 -2.11 3.32 -0.66 -2.89 116.42 115.52 3aay h ASP 35 Ca 0.41 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.44 3aay h ASP 35 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3aay h ASP 35 CO -0.15 0.29 -0.13 0.03 -1.72 0.00 0.00 179.24 177.55 3aay h ARG 36 N 0.00 -0.36 -2.27 3.56 3.08 -0.82 -3.49 114.38 114.08 3aay h ARG 36 Ca -0.00 0.02 0.18 0.00 0.07 0.00 0.00 59.98 60.25 3aay h ARG 36 Cb 0.51 0.08 -0.09 0.00 0.08 0.00 0.00 29.97 30.55 3aay h ARG 36 CO 0.04 -0.04 0.51 0.16 -1.07 0.00 0.00 179.97 179.57 3aay s ASP 37 N -5.21 -0.20 0.29 7.04 1.47 -0.78 -4.52 116.67 114.76 3aay s ASP 37 Ca -0.11 -0.32 -0.18 0.00 1.18 0.00 0.00 52.55 53.12 3aay s ASP 37 Cb 0.01 0.45 0.02 0.00 -0.34 0.00 0.00 42.92 43.06 3aay s ASP 37 CO 0.39 -0.82 0.68 -1.38 0.68 0.00 0.00 175.17 174.73 3aay s HIS 38 N -3.20 -0.00 0.32 2.11 -3.43 0.36 -4.03 115.29 107.42 3aay s HIS 38 Ca 0.11 -0.47 -0.29 0.00 -0.80 0.00 0.00 55.06 53.61 3aay s HIS 38 Cb -0.01 0.61 -0.11 0.00 -1.43 0.00 0.00 32.58 31.65 3aay s HIS 38 CO 0.00 -1.25 1.45 0.42 -2.00 0.00 0.00 174.74 173.36 3aay s ILE 39 N -3.64 2.37 0.09 -5.38 1.01 -1.26 0.56 121.20 114.93 3aay s ILE 39 Ca 0.14 0.34 -0.34 0.00 0.00 0.00 0.00 60.65 60.80 3aay s ILE 39 Cb -0.05 -3.22 -0.13 0.00 0.01 0.00 0.00 42.46 39.08 3aay s ILE 39 CO 0.09 0.07 1.70 0.00 0.00 0.00 0.00 174.94 176.80 3aay n ALA 40 N 1.27 1.40 -0.22 9.38 0.00 -1.26 -1.39 120.51 129.68 3aay n ALA 40 Ca 0.03 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3aay n ALA 40 Cb 0.40 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.42 3aay n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3aay n GLY 41 N 3.82 1.63 3.78 0.00 0.00 -1.26 -4.93 105.19 108.23 3aay n GLY 41 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3aay n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aay s ALA 42 N -2.90 2.84 0.47 4.61 0.00 -0.49 -4.70 121.76 121.59 3aay s ALA 42 Ca 0.00 0.78 0.08 0.00 0.00 0.00 0.00 51.96 52.82 3aay s ALA 42 Cb 0.00 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.81 3aay s ALA 42 CO 0.00 -0.58 0.50 0.96 0.00 0.00 0.00 175.76 176.64 3aay s ILE 43 N -1.76 2.42 0.07 0.00 -4.36 -0.28 -4.77 121.20 112.51 3aay s ILE 43 Ca 0.68 -1.24 0.09 0.00 -0.26 0.00 0.00 60.65 59.91 3aay s ILE 43 Cb -0.23 -2.66 -0.03 0.00 1.25 0.00 0.00 42.46 40.79 3aay s ILE 43 CO 0.27 0.00 -0.24 -1.59 0.24 0.00 0.00 174.94 173.62 3aay s LYS 44 N -4.31 1.52 -0.08 0.37 -2.85 -1.26 -0.48 119.74 112.66 3aay s LYS 44 Ca 0.49 -1.10 0.03 0.00 -1.00 0.00 0.00 55.97 54.40 3aay s LYS 44 Cb -0.05 -1.75 0.00 0.00 -2.06 0.00 0.00 37.83 33.98 3aay s LYS 44 CO 0.30 0.44 -0.19 -0.51 0.10 0.00 0.00 175.35 175.49 3aay s LEU 45 N -1.43 1.89 -0.33 2.77 1.43 -0.55 -4.91 118.68 117.56 3aay s LEU 45 Ca 0.10 -0.43 -0.23 0.00 -1.03 0.00 0.00 54.13 52.55 3aay s LEU 45 Cb -0.10 -1.13 0.00 0.00 0.03 0.00 0.00 46.19 45.00 3aay s LEU 45 CO 0.03 0.11 0.75 -0.62 0.23 0.00 0.00 176.35 176.85 3aay s ASP 46 N 0.42 6.57 0.32 2.29 -1.08 -1.26 -3.56 116.67 120.37 3aay s ASP 46 Ca -0.15 0.46 0.01 0.00 -0.52 0.00 0.00 52.55 52.35 3aay s ASP 46 Cb -0.16 -2.38 0.53 0.00 -1.46 0.00 0.00 42.92 39.44 3aay s ASP 46 CO 0.06 -0.63 1.92 -0.25 0.52 0.00 0.00 175.17 176.79 3aay h TRP 47 N 8.29 0.82 0.08 -5.34 7.01 -1.45 -0.61 115.95 124.75 3aay h TRP 47 Ca -0.25 -0.02 -0.00 0.00 2.11 0.00 0.00 58.89 60.72 3aay h TRP 47 Cb 1.10 -0.26 0.00 0.00 -2.10 0.00 0.00 29.16 27.90 3aay h TRP 47 CO 0.78 0.60 -0.04 0.00 -2.79 0.00 0.00 178.44 176.99 3aay h ARG 48 N 0.83 -0.10 0.00 2.65 3.08 -1.80 -3.12 114.38 115.92 3aay h ARG 48 Ca 0.21 0.01 -0.28 0.00 0.07 0.00 0.00 59.98 59.98 3aay h ARG 48 Cb 0.09 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.11 3aay h ARG 48 CO -0.03 0.45 -1.61 1.79 -1.07 0.00 0.00 179.97 179.51 3aay h THR 49 N -0.87 0.97 0.07 2.04 1.35 -1.89 -3.24 112.91 111.34 3aay h THR 49 Ca -0.01 -2.80 -0.33 0.00 -0.55 0.00 0.00 66.41 62.72 3aay h THR 49 Cb 0.60 2.49 -0.03 0.00 -1.73 0.00 0.00 68.15 69.47 3aay h THR 49 CO 0.02 0.57 -1.82 0.44 -0.25 0.00 0.00 175.52 174.48 3aay h ASP 50 N 0.00 0.23 -0.00 5.36 3.32 -1.32 -3.42 116.42 120.60 3aay h ASP 50 Ca -0.25 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 56.31 3aay h ASP 50 Cb 1.98 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 41.45 3aay h ASP 50 CO 0.09 1.44 -0.68 0.18 -1.72 0.00 0.00 179.24 178.55 3aay n LEU 51 N -3.29 0.84 -4.77 1.55 4.77 -1.12 -4.86 117.00 110.12 3aay n LEU 51 Ca -0.24 -0.53 -0.31 0.00 -0.03 0.00 0.00 56.01 54.90 3aay n LEU 51 Cb 1.05 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 42.07 3aay n LEU 51 CO 0.45 0.20 -0.27 -1.10 -1.33 0.00 0.00 177.39 175.34 3aay s GLN 52 N -2.38 2.89 0.27 3.23 -1.52 -1.22 -1.24 119.66 119.68 3aay s GLN 52 Ca 0.07 -0.67 -0.30 0.00 -1.95 0.00 0.00 55.36 52.52 3aay s GLN 52 Cb 0.12 -2.74 -0.10 0.00 -0.22 0.00 0.00 33.01 30.07 3aay s GLN 52 CO 0.60 0.58 1.35 0.34 -0.25 0.00 0.00 175.29 177.91 3aay s ASP 53 N -2.27 6.77 0.11 5.90 -1.08 0.10 -4.64 116.67 121.55 3aay s ASP 53 Ca 0.28 2.60 0.24 0.00 -0.52 0.00 0.00 52.55 55.15 3aay s ASP 53 Cb -0.12 -2.63 0.94 0.00 -1.46 0.00 0.00 42.92 39.64 3aay s ASP 53 CO 0.20 -0.58 1.74 -0.81 0.52 0.00 0.00 175.17 176.24 3aay n PRO 54 N 1.78 0.11 0.03 4.34 -0.04 -1.26 -4.41 135.00 135.55 3aay n PRO 54 Ca 0.04 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 3aay n PRO 54 Cb 0.42 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 3aay n PRO 54 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3aay n VAL 55 N -1.85 0.74 -2.28 0.52 0.31 -1.26 -5.07 118.33 109.44 3aay n VAL 55 Ca 0.05 0.24 -0.31 0.00 -0.01 0.00 0.00 64.34 64.31 3aay n VAL 55 Cb 0.30 -1.50 -0.02 0.00 -0.91 0.00 0.00 33.84 31.71 3aay n VAL 55 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3aay s LYS 56 N -2.00 3.78 -0.96 5.55 1.02 -1.26 -4.98 119.74 120.89 3aay s LYS 56 Ca 0.00 0.79 -0.24 0.00 0.02 0.00 0.00 55.97 56.54 3aay s LYS 56 Cb 0.00 -2.16 0.03 0.00 -0.52 0.00 0.00 37.83 35.18 3aay s LYS 56 CO 0.00 -0.35 1.53 0.50 -0.92 0.00 0.00 175.35 176.11 3aay s ARG 57 N -4.47 3.34 0.10 1.68 3.52 -1.26 -4.50 118.95 117.36 3aay s ARG 57 Ca 0.56 -0.84 -0.27 0.00 -0.13 0.00 0.00 55.73 55.05 3aay s ARG 57 Cb -0.10 -5.16 0.08 0.00 -1.56 0.00 0.00 34.95 28.20 3aay s ARG 57 CO 0.40 -2.42 1.01 0.34 -0.81 0.00 0.00 175.30 173.82 3aay s ASP 58 N 5.47 -0.18 0.61 -2.12 -1.08 -1.26 -5.06 116.67 113.05 3aay s ASP 58 Ca 0.50 -0.30 0.05 0.00 -0.52 0.00 0.00 52.55 52.27 3aay s ASP 58 Cb -0.02 0.41 0.09 0.00 -1.46 0.00 0.00 42.92 41.94 3aay s ASP 58 CO -0.05 -0.75 0.84 0.72 0.52 0.00 0.00 175.17 176.45 3aay s PHE 59 N -3.10 1.79 0.52 -5.34 -0.12 -1.26 -0.72 117.98 109.75 3aay s PHE 59 Ca 0.12 -0.45 -0.22 0.00 -0.05 0.00 0.00 56.93 56.32 3aay s PHE 59 Cb -0.00 -2.57 -0.06 0.00 -0.63 0.00 0.00 43.02 39.76 3aay s PHE 59 CO -0.00 -1.24 1.35 0.14 -0.05 0.00 0.00 175.22 175.42 3aay s VAL 60 N -2.81 2.17 0.66 -2.49 -7.23 -0.37 -4.35 120.40 105.97 3aay s VAL 60 Ca 0.62 0.13 -0.09 0.00 -1.81 0.00 0.00 61.98 60.83 3aay s VAL 60 Cb -0.07 -3.07 0.15 0.00 0.56 0.00 0.00 36.38 33.95 3aay s VAL 60 CO 0.40 0.00 0.90 -0.90 -0.31 0.00 0.00 175.10 175.19 3aay n ASP 61 N -0.83 0.30 -0.33 4.85 5.68 -1.26 -4.72 116.55 120.24 3aay n ASP 61 Ca 0.09 -1.47 -0.04 0.00 -0.50 0.00 0.00 54.79 52.87 3aay n ASP 61 Cb 0.45 -0.66 0.09 0.00 -1.14 0.00 0.00 41.12 39.85 3aay n ASP 61 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3aay h ALA 62 N -1.52 1.14 -0.32 2.12 0.00 -1.95 0.17 119.26 118.89 3aay h ALA 62 Ca -0.29 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.33 3aay h ALA 62 Cb 0.86 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3aay h ALA 62 CO 0.23 0.66 -0.40 0.37 0.00 0.00 0.00 179.25 180.10 3aay h GLN 63 N 1.25 0.84 -0.42 0.00 -0.00 -1.95 0.07 115.11 114.91 3aay h GLN 63 Ca 0.31 -0.48 -0.10 0.00 -0.00 0.00 0.00 58.65 58.39 3aay h GLN 63 Cb 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.53 3aay h GLN 63 CO -0.05 1.11 -0.13 1.96 0.00 0.00 0.00 178.83 181.73 3aay h GLN 64 N 0.63 0.82 -0.46 1.69 4.20 -1.84 -0.90 115.11 119.25 3aay h GLN 64 Ca 0.04 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.42 3aay h GLN 64 Cb 1.00 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.72 3aay h GLN 64 CO 0.10 0.95 0.29 0.35 -0.67 0.00 0.00 178.83 179.85 3aay h PHE 65 N 0.64 0.59 -0.73 2.96 3.57 -0.88 -0.68 116.94 122.41 3aay h PHE 65 Ca 0.10 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.61 3aay h PHE 65 Cb 0.67 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.17 3aay h PHE 65 CO 0.05 0.40 0.49 0.77 -2.23 0.00 0.00 178.31 177.79 3aay h SER 66 N 0.61 0.84 -0.34 0.41 0.02 -0.75 -1.43 113.55 112.91 3aay h SER 66 Ca 0.17 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 3aay h SER 66 Cb -0.03 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 3aay h SER 66 CO -0.03 0.61 -0.02 0.50 -1.14 0.00 0.00 176.83 176.74 3aay h LYS 67 N 0.99 0.62 -0.36 3.45 3.64 -0.96 -0.87 116.57 123.07 3aay h LYS 67 Ca 0.27 -0.21 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 3aay h LYS 67 Cb -0.11 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 3aay h LYS 67 CO -0.06 0.75 0.18 1.25 -2.27 0.00 0.00 179.45 179.30 3aay h LEU 68 N 0.42 0.27 -0.49 5.20 5.85 -0.92 -1.06 115.31 124.58 3aay h LEU 68 Ca 0.09 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 3aay h LEU 68 Cb 0.49 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3aay h LEU 68 CO 0.02 0.20 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.15 3aay h LEU 69 N 0.37 0.92 -0.35 2.25 4.07 -1.16 -1.60 115.31 119.81 3aay h LEU 69 Ca 0.15 -0.35 0.06 0.00 0.08 0.00 0.00 57.88 57.83 3aay h LEU 69 Cb 0.06 -0.25 -0.06 0.00 1.08 0.00 0.00 40.66 41.49 3aay h LEU 69 CO -0.11 1.06 -0.02 0.28 -1.08 0.00 0.00 178.44 178.58 3aay h SER 70 N 0.77 -0.18 -0.40 -0.43 0.02 -1.09 -0.58 113.55 111.67 3aay h SER 70 Ca 0.13 0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 61.11 3aay h SER 70 Cb 0.64 0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 3aay h SER 70 CO 0.04 -0.05 0.06 -0.33 -1.14 0.00 0.00 176.83 175.42 3aay h GLU 71 N 0.08 0.74 -0.00 3.45 5.08 -0.90 -0.96 114.58 122.06 3aay h GLU 71 Ca 0.17 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3aay h GLU 71 Cb 0.24 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3aay h GLU 71 CO -0.30 0.71 -0.10 0.54 -1.00 0.00 0.00 179.01 178.86 3aay n ARG 72 N -4.26 0.68 -2.13 2.33 5.12 -0.63 -4.67 116.66 113.10 3aay n ARG 72 Ca 0.03 -0.22 0.00 0.00 -1.93 0.00 0.00 57.85 55.73 3aay n ARG 72 Cb 0.25 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.05 3aay n ARG 72 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3aay n GLY 73 N 1.27 0.66 3.68 -0.13 0.00 -0.51 -4.57 105.19 105.60 3aay n GLY 73 Ca 0.15 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 3aay n GLY 73 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3aay s ILE 74 N -2.42 4.94 0.21 -0.61 1.01 -0.34 -4.78 121.20 119.21 3aay s ILE 74 Ca 0.00 0.02 0.06 0.00 0.00 0.00 0.00 60.65 60.73 3aay s ILE 74 Cb 0.00 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 3aay s ILE 74 CO 0.00 0.48 0.16 0.00 0.00 0.00 0.00 174.94 175.58 3aay s ALA 75 N 0.17 3.55 0.40 9.38 0.00 -1.26 -4.33 121.76 129.67 3aay s ALA 75 Ca 0.06 -1.34 0.08 0.00 0.00 0.00 0.00 51.96 50.76 3aay s ALA 75 Cb -0.12 -1.30 0.86 0.00 0.00 0.00 0.00 23.12 22.56 3aay s ALA 75 CO 0.00 0.37 2.02 -0.91 0.00 0.00 0.00 175.76 177.24 3aay h ASN 76 N 1.94 0.50 0.23 0.00 2.35 -1.95 -1.84 115.58 116.81 3aay h ASN 76 Ca -0.48 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 3aay h ASN 76 Cb 1.22 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.48 3aay h ASN 76 CO 0.62 0.34 -0.11 -0.62 -1.65 0.00 0.00 177.43 176.01 3aay n GLU 77 N -4.47 0.93 -2.08 0.81 -0.58 -1.26 -4.75 120.64 109.25 3aay n GLU 77 Ca 0.06 -0.40 -0.39 0.00 -0.42 0.00 0.00 57.16 56.01 3aay n GLU 77 Cb 0.15 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 29.53 3aay n GLU 77 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3aay s ASP 78 N -2.35 6.32 -0.33 1.62 1.01 -0.69 -4.99 116.67 117.27 3aay s ASP 78 Ca 0.31 2.62 -0.25 0.00 0.71 0.00 0.00 52.55 55.94 3aay s ASP 78 Cb 0.20 -2.64 0.01 0.00 1.01 0.00 0.00 42.92 41.50 3aay s ASP 78 CO 0.45 -0.84 0.87 -0.89 0.21 0.00 0.00 175.17 174.97 3aay s THR 79 N -1.28 4.69 -0.21 -1.27 2.01 -0.26 -4.54 115.64 114.78 3aay s THR 79 Ca 0.57 1.26 -0.11 0.00 0.31 0.00 0.00 61.69 63.71 3aay s THR 79 Cb -0.37 -4.24 -0.05 0.00 0.01 0.00 0.00 72.50 67.85 3aay s THR 79 CO 0.48 -0.37 0.19 -0.69 -0.69 0.00 0.00 174.62 173.53 3aay s VAL 80 N 3.21 5.36 -0.30 3.82 1.01 -0.47 -0.97 120.40 132.05 3aay s VAL 80 Ca 0.36 0.29 -0.04 0.00 0.00 0.00 0.00 61.98 62.59 3aay s VAL 80 Cb -0.13 -3.53 0.04 0.00 0.00 0.00 0.00 36.38 32.75 3aay s VAL 80 CO 0.15 0.38 0.03 -0.63 0.00 0.00 0.00 175.10 175.03 3aay s ILE 81 N 0.70 3.35 -0.05 2.22 -1.09 -0.08 -0.88 121.20 125.37 3aay s ILE 81 Ca 0.10 -1.13 -0.10 0.00 -2.23 0.00 0.00 60.65 57.30 3aay s ILE 81 Cb -0.12 -2.84 -0.05 0.00 -1.58 0.00 0.00 42.46 37.87 3aay s ILE 81 CO 0.02 -0.03 0.26 -0.76 -1.23 0.00 0.00 174.94 173.20 3aay s LEU 82 N 1.35 4.42 0.15 2.97 1.43 -0.21 -0.89 118.68 127.91 3aay s LEU 82 Ca -0.02 0.68 -0.19 0.00 -1.03 0.00 0.00 54.13 53.57 3aay s LEU 82 Cb -0.19 -2.36 0.04 0.00 0.03 0.00 0.00 46.19 43.72 3aay s LEU 82 CO -0.00 0.35 0.50 -0.72 0.23 0.00 0.00 176.35 176.71 3aay s TYR 83 N -1.09 -0.30 -0.02 0.29 1.13 -0.72 -1.19 117.35 115.45 3aay s TYR 83 Ca 0.20 0.01 -0.30 0.00 -1.41 0.00 0.00 57.07 55.57 3aay s TYR 83 Cb -0.14 0.39 0.11 0.00 -1.10 0.00 0.00 41.96 41.22 3aay s TYR 83 CO 0.09 -0.80 1.29 0.20 -2.51 0.00 0.00 175.55 173.83 3aay s GLY 84 N -2.80 -0.28 0.00 5.49 0.00 -1.26 -1.23 107.32 107.24 3aay s GLY 84 Ca 0.04 0.40 0.00 0.00 0.00 0.00 0.00 44.72 45.16 3aay s GLY 84 CO -0.10 2.58 0.00 0.61 0.00 0.00 0.00 173.10 176.19 3aay n GLY 85 N -0.68 -0.11 3.94 0.20 0.00 -1.26 -2.12 105.19 105.17 3aay n GLY 85 Ca -0.03 -1.72 -0.27 0.00 0.00 0.00 0.00 46.02 44.00 3aay n GLY 85 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3aay n ASN 86 N 0.00 -1.36 -2.03 1.61 5.03 -1.26 -1.59 115.26 115.65 3aay n ASN 86 Ca 0.00 -0.95 -0.18 0.00 0.87 0.00 0.00 54.58 54.32 3aay n ASN 86 Cb 0.00 -3.28 -0.04 0.00 -1.02 0.00 0.00 39.78 35.44 3aay n ASN 86 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3aay n ASN 87 N -2.94 -5.01 -0.51 6.41 3.02 -1.26 -1.93 115.26 113.05 3aay n ASN 87 Ca -0.22 0.22 -0.07 0.00 -0.03 0.00 0.00 54.58 54.49 3aay n ASN 87 Cb 0.64 -4.31 -0.03 0.00 -0.61 0.00 0.00 39.78 35.47 3aay n ASN 87 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3aay n ASN 88 N -1.55 -4.69 -0.14 6.41 4.05 -0.62 -4.89 115.26 113.83 3aay n ASN 88 Ca -0.20 0.17 -0.09 0.00 0.45 0.00 0.00 54.58 54.90 3aay n ASN 88 Cb 0.63 -2.78 -0.01 0.00 1.23 0.00 0.00 39.78 38.86 3aay n ASN 88 CO 0.00 0.00 0.00 -0.50 -3.05 0.00 0.00 177.26 173.71 3aay h TRP 89 N 0.00 0.64 0.03 1.20 6.55 -1.53 -0.70 115.95 122.13 3aay h TRP 89 Ca -0.14 -0.06 -0.22 0.00 0.95 0.00 0.00 58.89 59.42 3aay h TRP 89 Cb 0.73 -0.19 -0.02 0.00 -0.86 0.00 0.00 29.16 28.82 3aay h TRP 89 CO 0.37 0.58 -1.03 0.74 -1.05 0.00 0.00 178.44 178.06 3aay h PHE 90 N 0.50 0.12 -0.76 0.49 0.04 -1.81 -1.05 116.94 114.48 3aay h PHE 90 Ca 0.13 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.82 3aay h PHE 90 Cb 0.24 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.34 3aay h PHE 90 CO 0.01 1.04 0.49 0.00 -0.60 0.00 0.00 178.31 179.25 3aay h ALA 91 N 0.92 0.97 -0.25 2.45 0.00 -1.64 0.12 119.26 121.84 3aay h ALA 91 Ca -0.04 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 3aay h ALA 91 Cb 1.77 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 3aay h ALA 91 CO 0.14 0.40 -0.41 0.00 0.00 0.00 0.00 179.25 179.39 3aay h ALA 92 N 1.27 0.83 -0.41 0.00 0.00 -0.99 0.25 119.26 120.20 3aay h ALA 92 Ca 0.28 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3aay h ALA 92 Cb -0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3aay h ALA 92 CO -0.06 0.65 0.23 -0.92 0.00 0.00 0.00 179.25 179.16 3aay h TYR 93 N 0.48 0.56 -0.67 0.00 5.03 -0.73 -1.67 116.97 119.96 3aay h TYR 93 Ca 0.04 -0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.27 3aay h TYR 93 Cb 0.92 -0.18 -0.03 0.00 1.55 0.00 0.00 36.73 38.99 3aay h TYR 93 CO 0.04 0.41 0.16 0.00 -1.32 0.00 0.00 178.16 177.45 3aay h ALA 94 N 1.09 1.01 -0.34 1.82 0.00 -0.48 -1.36 119.26 121.00 3aay h ALA 94 Ca 0.15 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.87 3aay h ALA 94 Cb 0.03 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 3aay h ALA 94 CO -0.02 0.64 -0.00 -0.92 0.00 0.00 0.00 179.25 178.95 3aay h TYR 95 N 1.01 -0.02 -0.61 0.00 5.03 -0.66 0.21 116.97 121.94 3aay h TYR 95 Ca 0.21 0.02 0.09 0.00 2.58 0.00 0.00 58.73 61.64 3aay h TYR 95 Cb 0.36 0.06 -0.07 0.00 1.55 0.00 0.00 36.73 38.63 3aay h TYR 95 CO 0.03 -0.06 0.23 2.35 -1.32 0.00 0.00 178.16 179.39 3aay h TRP 96 N 0.09 0.41 -0.27 -3.82 7.01 -0.95 -0.94 115.95 117.49 3aay h TRP 96 Ca 0.16 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.19 3aay h TRP 96 Cb 0.22 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.18 3aay h TRP 96 CO -0.24 0.11 0.17 1.88 -2.79 0.00 0.00 178.44 177.57 3aay h TYR 97 N 0.42 0.34 -0.55 2.65 0.05 -0.11 -0.28 116.97 119.49 3aay h TYR 97 Ca 0.30 0.01 0.09 0.00 0.05 0.00 0.00 58.73 59.18 3aay h TYR 97 Cb 0.37 -0.11 -0.07 0.00 1.01 0.00 0.00 36.73 37.93 3aay h TYR 97 CO -0.16 0.23 0.18 0.74 -1.05 0.00 0.00 178.16 178.09 3aay h PHE 98 N 0.35 0.31 -0.54 4.88 -1.00 -0.15 -1.59 116.94 119.20 3aay h PHE 98 Ca 0.10 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.86 3aay h PHE 98 Cb -0.03 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.46 3aay h PHE 98 CO -0.05 0.07 0.16 0.87 -1.61 0.00 0.00 178.31 177.74 3aay h LYS 99 N 0.34 0.85 -0.74 1.51 1.79 -0.91 -1.16 116.57 118.26 3aay h LYS 99 Ca 0.28 -0.19 0.12 0.00 -2.18 0.00 0.00 60.65 58.67 3aay h LYS 99 Cb 0.34 -0.12 -0.08 0.00 -1.58 0.00 0.00 32.23 30.79 3aay h LYS 99 CO -0.30 0.79 0.34 1.25 -1.08 0.00 0.00 179.45 180.44 3aay h LEU 100 N 0.76 0.39 -1.86 2.94 5.85 -0.56 -1.50 115.31 121.34 3aay h LEU 100 Ca 0.17 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.98 3aay h LEU 100 Cb 0.30 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.35 3aay h LEU 100 CO -0.00 0.20 0.00 -1.22 -0.34 0.00 0.00 178.44 177.07 3aay n TYR 101 N -4.92 0.79 -0.79 1.25 4.01 -0.64 -0.75 117.16 116.11 3aay n TYR 101 Ca 0.13 -0.31 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 3aay n TYR 101 Cb 0.34 -0.15 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 3aay n TYR 101 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3aay n GLY 102 N 0.72 0.55 3.72 2.72 0.00 -0.56 -1.67 105.19 110.67 3aay n GLY 102 Ca 0.14 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 3aay n GLY 102 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3aay s HIS 103 N -2.00 3.49 -0.12 1.61 2.46 -0.49 -4.89 115.29 115.35 3aay s HIS 103 Ca 0.00 1.41 -0.04 0.00 0.47 0.00 0.00 55.06 56.90 3aay s HIS 103 Cb 0.00 -3.37 -0.02 0.00 -0.13 0.00 0.00 32.58 29.06 3aay s HIS 103 CO 0.00 -1.04 -0.03 1.49 -2.47 0.00 0.00 174.74 172.69 3aay h GLU 104 N 6.21 0.00 -4.49 2.88 4.81 -1.89 -3.42 114.58 118.68 3aay h GLU 104 Ca -0.43 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.08 3aay h GLU 104 Cb 1.21 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 30.38 3aay h GLU 104 CO 0.78 0.05 0.20 0.15 -0.73 0.00 0.00 179.01 179.45 3aay s LYS 105 N -1.81 3.26 -0.13 1.92 1.02 -1.26 -4.98 119.74 117.76 3aay s LYS 105 Ca -0.06 -1.69 -0.11 0.00 0.02 0.00 0.00 55.97 54.12 3aay s LYS 105 Cb 0.01 -4.41 0.03 0.00 -0.52 0.00 0.00 37.83 32.94 3aay s LYS 105 CO 0.10 -1.50 0.34 0.54 -0.92 0.00 0.00 175.35 173.91 3aay s VAL 106 N 2.01 -0.00 0.02 3.17 0.11 -1.26 -1.37 120.40 123.08 3aay s VAL 106 Ca 0.16 0.01 -0.06 0.00 -2.93 0.00 0.00 61.98 59.16 3aay s VAL 106 Cb -0.18 -0.47 -0.01 0.00 -1.53 0.00 0.00 36.38 34.19 3aay s VAL 106 CO -0.00 0.00 0.10 -0.54 -3.33 0.00 0.00 175.10 171.33 3aay s LYS 107 N 0.24 0.51 0.20 1.54 1.02 -0.06 -4.69 119.74 118.49 3aay s LYS 107 Ca -0.00 -0.58 -0.16 0.00 0.02 0.00 0.00 55.97 55.25 3aay s LYS 107 Cb -0.03 0.20 -0.08 0.00 -0.52 0.00 0.00 37.83 37.41 3aay s LYS 107 CO -0.00 -0.12 0.62 -0.51 -0.92 0.00 0.00 175.35 174.42 3aay s LEU 108 N -1.71 4.30 -0.47 3.17 1.43 -0.40 -1.04 118.68 123.95 3aay s LEU 108 Ca -0.11 1.19 -0.27 0.00 -1.03 0.00 0.00 54.13 53.91 3aay s LEU 108 Cb -0.05 -3.49 0.03 0.00 0.03 0.00 0.00 46.19 42.71 3aay s LEU 108 CO -0.01 0.03 1.05 -0.22 0.23 0.00 0.00 176.35 177.43 3aay s LEU 109 N -2.15 3.80 -0.06 1.79 2.96 -0.33 -1.39 118.68 123.30 3aay s LEU 109 Ca 0.42 0.33 -0.31 0.00 -0.22 0.00 0.00 54.13 54.34 3aay s LEU 109 Cb -0.15 -3.40 -0.10 0.00 0.50 0.00 0.00 46.19 43.05 3aay s LEU 109 CO 0.20 -1.16 1.99 -0.67 -1.32 0.00 0.00 176.35 175.39 3aay n ASP 110 N 7.54 3.69 0.00 3.68 2.03 -0.15 -0.20 116.55 133.14 3aay n ASP 110 Ca 0.09 0.80 0.00 0.00 0.52 0.00 0.00 54.79 56.21 3aay n ASP 110 Cb 0.49 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.42 3aay n ASP 110 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3aay n GLY 111 N 4.78 1.51 7.00 0.27 0.00 -1.24 -4.49 105.19 113.02 3aay n GLY 111 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3aay n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3aay n GLY 112 N -2.00 1.15 0.31 -0.02 0.00 0.72 -1.93 105.19 103.42 3aay n GLY 112 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.45 3aay n GLY 112 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3aay h ARG 113 N 0.00 0.72 -0.10 1.61 2.43 -1.75 -2.64 114.38 114.65 3aay h ARG 113 Ca 0.00 -0.10 0.02 0.00 -0.81 0.00 0.00 59.98 59.09 3aay h ARG 113 Cb 0.00 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 3aay h ARG 113 CO 0.00 0.59 -0.01 -0.22 -1.51 0.00 0.00 179.97 178.82 3aay h LYS 114 N 0.72 0.02 -0.34 0.20 3.64 -1.75 -0.39 116.57 118.67 3aay h LYS 114 Ca 0.17 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 3aay h LYS 114 Cb 0.13 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3aay h LYS 114 CO -0.02 0.02 -0.03 -0.22 -2.27 0.00 0.00 179.45 176.93 3aay h LYS 115 N 0.02 0.63 -0.50 1.90 1.63 -1.30 -0.15 116.57 118.79 3aay h LYS 115 Ca 0.05 -0.21 0.07 0.00 -0.85 0.00 0.00 60.65 59.71 3aay h LYS 115 Cb 0.06 -0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 31.58 3aay h LYS 115 CO -0.09 0.76 0.16 2.35 -3.45 0.00 0.00 179.45 179.19 3aay h TRP 116 N 0.43 0.28 -0.32 1.91 2.91 -1.22 0.19 115.95 120.13 3aay h TRP 116 Ca 0.09 0.03 -0.17 0.00 1.13 0.00 0.00 58.89 59.97 3aay h TRP 116 Cb 0.50 -0.05 -0.00 0.00 -0.51 0.00 0.00 29.16 29.09 3aay h TRP 116 CO 0.04 0.08 -0.48 0.93 -1.03 0.00 0.00 178.44 177.97 3aay h GLU 117 N 0.33 0.89 -0.69 2.65 5.08 -0.94 -2.22 114.58 119.67 3aay h GLU 117 Ca 0.25 -0.52 0.06 0.00 -1.00 0.00 0.00 59.36 58.14 3aay h GLU 117 Cb 0.28 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 3aay h GLU 117 CO -0.27 1.16 0.39 -0.07 -1.00 0.00 0.00 179.01 179.23 3aay h LEU 118 N 0.70 0.58 0.00 1.33 4.07 -0.46 0.18 115.31 121.71 3aay h LEU 118 Ca 0.03 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.02 3aay h LEU 118 Cb 1.08 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.74 3aay h LEU 118 CO 0.11 0.38 0.00 0.47 -1.08 0.00 0.00 178.44 178.32 3aay n ASP 119 N -4.77 0.00 -1.90 -0.43 8.00 0.63 -4.88 116.55 113.20 3aay n ASP 119 Ca 0.09 0.02 -0.18 0.00 0.71 0.00 0.00 54.79 55.43 3aay n ASP 119 Cb 0.17 -0.27 -0.02 0.00 -0.02 0.00 0.00 41.12 40.98 3aay n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3aay n GLY 120 N 0.12 -0.02 3.84 0.44 0.00 0.05 -5.00 105.19 104.61 3aay n GLY 120 Ca 0.08 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 3aay n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3aay s ARG 121 N -4.65 3.36 0.50 1.61 0.52 -0.86 -4.99 118.95 114.43 3aay s ARG 121 Ca 0.00 0.93 -0.21 0.00 -0.52 0.00 0.00 55.73 55.94 3aay s ARG 121 Cb 0.00 -2.05 -0.07 0.00 0.52 0.00 0.00 34.95 33.35 3aay s ARG 121 CO 0.00 -0.76 1.08 -1.25 0.02 0.00 0.00 175.30 174.39 3aay s PRO 122 N -4.78 3.66 0.23 3.54 0.04 -1.26 -4.82 135.00 131.62 3aay s PRO 122 Ca 0.58 1.51 0.07 0.00 0.04 0.00 0.00 61.00 63.20 3aay s PRO 122 Cb -0.13 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 3aay s PRO 122 CO 0.48 -0.57 -0.11 -0.51 0.04 0.00 0.00 177.00 176.33 3aay s LEU 123 N -3.48 2.52 -0.00 -3.56 1.43 -1.26 -4.64 118.68 109.68 3aay s LEU 123 Ca 0.68 -1.08 0.04 0.00 -1.03 0.00 0.00 54.13 52.74 3aay s LEU 123 Cb -0.21 -0.64 -0.01 0.00 0.03 0.00 0.00 46.19 45.36 3aay s LEU 123 CO 0.24 -0.24 -0.12 -0.55 0.23 0.00 0.00 176.35 175.92 3aay s SER 124 N -3.35 1.36 0.00 2.29 0.15 0.19 -4.84 113.70 109.50 3aay s SER 124 Ca 0.25 -0.23 0.20 0.00 0.70 0.00 0.00 55.95 56.87 3aay s SER 124 Cb 0.01 -0.14 0.27 0.00 -1.71 0.00 0.00 66.02 64.45 3aay s SER 124 CO 0.08 0.13 1.24 -1.54 1.20 0.00 0.00 173.24 174.35 3aay n SER 125 N 2.70 2.98 -4.77 5.45 3.41 -1.26 -0.48 113.62 121.65 3aay n SER 125 Ca -0.14 -1.89 -0.39 0.00 -0.26 0.00 0.00 58.87 56.18 3aay n SER 125 Cb 0.56 -0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.36 3aay n SER 125 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3aay s ASP 126 N -1.50 6.76 0.79 4.04 1.01 -1.26 -4.95 116.67 121.56 3aay s ASP 126 Ca 0.29 2.41 -0.13 0.00 0.71 0.00 0.00 52.55 55.83 3aay s ASP 126 Cb 0.18 -2.63 0.07 0.00 1.01 0.00 0.00 42.92 41.56 3aay s ASP 126 CO 0.26 -0.51 1.15 -2.84 0.21 0.00 0.00 175.17 173.45 3aay s PRO 127 N -1.98 1.88 -0.04 8.23 0.02 -1.26 -4.95 135.00 136.91 3aay s PRO 127 Ca 0.52 1.53 0.02 0.00 0.02 0.00 0.00 61.00 63.10 3aay s PRO 127 Cb -0.33 -1.83 0.01 0.00 0.02 0.00 0.00 34.50 32.37 3aay s PRO 127 CO 0.42 -1.98 -0.10 0.08 -0.33 0.00 0.00 177.00 175.09 3aay s VAL 128 N -2.42 0.88 0.01 3.83 1.01 -1.26 -5.02 120.40 117.43 3aay s VAL 128 Ca 0.68 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.30 3aay s VAL 128 Cb -0.24 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 3aay s VAL 128 CO 0.51 0.28 -0.03 -0.94 0.00 0.00 0.00 175.10 174.92 3aay s SER 129 N 0.44 0.33 0.11 3.32 1.04 -1.26 -5.00 113.70 112.68 3aay s SER 129 Ca -0.08 -0.22 0.10 0.00 0.48 0.00 0.00 55.95 56.24 3aay s SER 129 Cb -0.12 0.01 -0.04 0.00 0.10 0.00 0.00 66.02 65.98 3aay s SER 129 CO 0.01 -0.08 -0.26 -0.13 0.98 0.00 0.00 173.24 173.77 3aay s ARG 130 N -0.59 1.39 0.36 4.02 0.52 -1.26 -5.12 118.95 118.28 3aay s ARG 130 Ca -0.05 -1.28 -0.28 0.00 -0.52 0.00 0.00 55.73 53.60 3aay s ARG 130 Cb -0.04 -1.80 -0.11 0.00 0.52 0.00 0.00 34.95 33.52 3aay s ARG 130 CO -0.00 0.43 1.47 -2.14 0.02 0.00 0.00 175.30 175.08 3aay s PRO 131 N -1.92 4.14 0.52 3.54 0.02 -1.26 -4.58 135.00 135.45 3aay s PRO 131 Ca 0.12 2.53 -0.22 0.00 0.02 0.00 0.00 61.00 63.45 3aay s PRO 131 Cb -0.10 -2.99 -0.06 0.00 0.02 0.00 0.00 34.50 31.38 3aay s PRO 131 CO 0.05 -0.50 1.27 0.14 -0.33 0.00 0.00 177.00 177.63 3aay s VAL 132 N -1.02 2.52 0.48 3.83 -7.23 -1.26 -4.24 120.40 113.47 3aay s VAL 132 Ca 0.53 0.38 0.04 0.00 -1.81 0.00 0.00 61.98 61.12 3aay s VAL 132 Cb -0.46 -3.19 -0.03 0.00 0.56 0.00 0.00 36.38 33.27 3aay s VAL 132 CO 0.61 -0.01 0.07 0.42 -0.31 0.00 0.00 175.10 175.87 3aay s THR 133 N -1.42 1.52 -0.53 5.32 -4.23 -0.40 -4.92 115.64 110.98 3aay s THR 133 Ca 0.69 -1.91 -0.08 0.00 -1.18 0.00 0.00 61.69 59.21 3aay s THR 133 Cb -0.35 -2.43 0.14 0.00 1.34 0.00 0.00 72.50 71.20 3aay s THR 133 CO 0.41 0.00 0.40 -0.55 -0.54 0.00 0.00 174.62 174.34 3aay s SER 134 N -3.89 5.73 -0.16 3.99 0.15 -1.26 -4.40 113.70 113.86 3aay s SER 134 Ca 0.19 -2.14 -0.14 0.00 0.70 0.00 0.00 55.95 54.56 3aay s SER 134 Cb 0.03 -2.00 -0.05 0.00 -1.71 0.00 0.00 66.02 62.30 3aay s SER 134 CO 0.10 -0.63 0.31 -0.47 1.20 0.00 0.00 173.24 173.75 3aay s TYR 135 N 1.02 3.47 -0.25 3.44 6.14 -1.26 -4.69 117.35 125.22 3aay s TYR 135 Ca 0.09 0.63 0.02 0.00 0.64 0.00 0.00 57.07 58.44 3aay s TYR 135 Cb -0.24 -2.36 0.06 0.00 0.42 0.00 0.00 41.96 39.84 3aay s TYR 135 CO -0.02 0.24 -0.08 0.99 0.64 0.00 0.00 175.55 177.31 3aay s THR 136 N 0.46 1.87 0.57 4.34 2.01 -1.26 -4.65 115.64 118.98 3aay s THR 136 Ca 0.17 -1.45 -0.17 0.00 0.31 0.00 0.00 61.69 60.56 3aay s THR 136 Cb -0.13 -2.05 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 3aay s THR 136 CO 0.04 -0.07 1.06 0.00 -0.69 0.00 0.00 174.62 174.97 3aay s ALA 137 N 1.24 2.74 0.57 7.40 0.00 -1.26 -5.01 121.76 127.44 3aay s ALA 137 Ca -0.07 0.48 -0.07 0.00 0.00 0.00 0.00 51.96 52.30 3aay s ALA 137 Cb -0.19 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 3aay s ALA 137 CO -0.06 -0.74 0.90 -1.12 0.00 0.00 0.00 175.76 174.75 3aay s SER 138 N -2.52 5.93 0.64 0.00 0.01 -0.67 -5.02 113.70 112.07 3aay s SER 138 Ca 0.65 0.96 -0.18 0.00 1.31 0.00 0.00 55.95 58.69 3aay s SER 138 Cb -0.17 -2.06 -0.01 0.00 0.21 0.00 0.00 66.02 63.98 3aay s SER 138 CO 0.33 -0.89 1.29 -0.81 0.41 0.00 0.00 173.24 173.57 3aay n PRO 139 N -2.54 1.15 -1.73 12.44 -0.04 -1.26 -4.65 135.00 138.37 3aay n PRO 139 Ca 0.04 0.45 -0.42 0.00 -0.04 0.00 0.00 63.50 63.52 3aay n PRO 139 Cb 0.56 -2.52 -0.02 0.00 -0.04 0.00 0.00 33.50 31.47 3aay n PRO 139 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3aay n PRO 140 N -1.80 2.61 -2.69 0.54 -0.04 -1.26 -4.77 135.00 127.59 3aay n PRO 140 Ca 0.15 0.93 -0.42 0.00 -0.04 0.00 0.00 63.50 64.13 3aay n PRO 140 Cb 0.48 -2.72 -0.03 0.00 -0.04 0.00 0.00 33.50 31.19 3aay n PRO 140 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3aay s ASP 141 N 0.67 6.49 0.00 3.54 2.15 0.07 -4.87 116.67 124.71 3aay s ASP 141 Ca 0.68 -1.52 0.10 0.00 0.43 0.00 0.00 52.55 52.24 3aay s ASP 141 Cb -0.53 -2.51 0.58 0.00 -0.30 0.00 0.00 42.92 40.17 3aay s ASP 141 CO 0.44 -1.40 1.19 0.59 -0.17 0.00 0.00 175.17 175.82 3aay n ASN 142 N 8.14 0.00 0.01 -0.34 5.03 -1.26 -2.53 115.26 124.31 3aay n ASN 142 Ca 0.25 -1.23 0.08 0.00 0.87 0.00 0.00 54.58 54.56 3aay n ASN 142 Cb 0.50 0.00 0.34 0.00 -1.02 0.00 0.00 39.78 39.60 3aay n ASN 142 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 3aay n THR 143 N -0.70 0.93 0.04 3.41 -2.24 -1.26 -2.72 114.28 111.74 3aay n THR 143 Ca 0.07 0.23 0.04 0.00 -2.27 0.00 0.00 64.05 62.12 3aay n THR 143 Cb 0.03 -0.99 0.08 0.00 -2.10 0.00 0.00 70.33 67.36 3aay n THR 143 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3aay n ILE 144 N -1.58 0.63 -4.91 2.28 -5.35 -1.05 -4.51 119.36 104.88 3aay n ILE 144 Ca 0.04 -0.82 -0.28 0.00 -0.27 0.00 0.00 62.75 61.42 3aay n ILE 144 Cb 0.19 0.74 -0.15 0.00 -1.74 0.00 0.00 39.64 38.68 3aay n ILE 144 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3aay s ARG 145 N -0.87 1.66 -0.02 6.28 3.52 -1.10 -1.21 118.95 127.21 3aay s ARG 145 Ca 0.14 -0.91 0.07 0.00 -0.13 0.00 0.00 55.73 54.90 3aay s ARG 145 Cb 0.08 -1.71 -0.02 0.00 -1.56 0.00 0.00 34.95 31.74 3aay s ARG 145 CO 0.11 0.45 -0.25 0.00 -0.81 0.00 0.00 175.30 174.80 3aay s ALA 146 N -0.68 2.05 0.28 6.12 0.00 -0.49 -4.82 121.76 124.23 3aay s ALA 146 Ca 0.09 -1.06 0.08 0.00 0.00 0.00 0.00 51.96 51.07 3aay s ALA 146 Cb -0.09 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 3aay s ALA 146 CO 0.01 0.49 0.18 -0.06 0.00 0.00 0.00 175.76 176.38 3aay s PHE 147 N -0.53 2.96 0.27 0.00 0.08 -1.26 -4.02 117.98 115.47 3aay s PHE 147 Ca 0.08 -0.20 -0.01 0.00 0.12 0.00 0.00 56.93 56.93 3aay s PHE 147 Cb -0.10 -1.47 0.59 0.00 -0.57 0.00 0.00 43.02 41.47 3aay s PHE 147 CO -0.00 0.45 1.70 0.07 -0.10 0.00 0.00 175.22 177.33 3aay h ARG 148 N 1.51 0.36 -0.41 0.44 0.11 -2.00 -1.37 114.38 113.02 3aay h ARG 148 Ca -0.46 -0.02 -0.11 0.00 0.10 0.00 0.00 59.98 59.48 3aay h ARG 148 Cb 1.25 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 32.23 3aay h ARG 148 CO 0.60 0.24 -0.20 -0.44 0.10 0.00 0.00 179.97 180.27 3aay h ASP 149 N 0.37 0.80 0.70 0.08 3.32 -2.00 -2.00 116.42 117.69 3aay h ASP 149 Ca 0.49 -0.28 -0.13 0.00 0.02 0.00 0.00 57.03 57.13 3aay h ASP 149 Cb 0.86 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 3aay h ASP 149 CO -0.50 0.99 -0.60 1.05 -1.72 0.00 0.00 179.24 178.46 3aay h GLU 150 N 0.70 0.00 -0.34 3.56 4.11 -1.69 -1.86 114.58 119.06 3aay h GLU 150 Ca 0.10 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.49 3aay h GLU 150 Cb 0.71 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3aay h GLU 150 CO 0.05 0.60 0.06 0.28 0.07 0.00 0.00 179.01 180.07 3aay h VAL 151 N 0.00 1.23 -0.77 -1.06 2.07 -1.13 -0.46 116.25 116.14 3aay h VAL 151 Ca -0.01 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 3aay h VAL 151 Cb 1.11 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 3aay h VAL 151 CO 0.08 0.27 0.42 -0.07 0.02 0.00 0.00 177.57 178.29 3aay h LEU 152 N 0.40 0.96 -1.56 2.57 3.38 -1.23 -1.83 115.31 117.99 3aay h LEU 152 Ca 0.10 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3aay h LEU 152 Cb 0.34 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3aay h LEU 152 CO 0.01 0.78 0.00 0.00 0.09 0.00 0.00 178.44 179.32 3aay h ALA 153 N 1.22 1.00 0.00 1.53 0.00 -1.01 -3.06 119.26 118.93 3aay h ALA 153 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3aay h ALA 153 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3aay h ALA 153 CO -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 179.25 178.90 3aay n ALA 154 N -1.95 2.86 -1.70 0.00 0.00 -0.21 -4.73 120.51 114.78 3aay n ALA 154 Ca -0.00 -0.20 -0.43 0.00 0.00 0.00 0.00 53.44 52.80 3aay n ALA 154 Cb 0.19 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 3aay n ALA 154 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3aay n ILE 155 N -1.75 0.08 -0.96 0.00 5.41 -1.16 -0.46 119.36 120.52 3aay n ILE 155 Ca 0.05 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.79 3aay n ILE 155 Cb 0.37 -1.88 0.00 0.00 -0.71 0.00 0.00 39.64 37.42 3aay n ILE 155 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3aay n ASN 156 N 4.16 -4.30 -0.02 4.38 3.02 -1.26 -4.76 115.26 116.48 3aay n ASN 156 Ca 0.17 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.69 3aay n ASN 156 Cb 0.33 -2.33 -0.01 0.00 -0.61 0.00 0.00 39.78 37.16 3aay n ASN 156 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3aay n VAL 157 N -2.31 0.18 -4.43 2.41 0.31 0.39 -5.08 118.33 109.80 3aay n VAL 157 Ca 0.00 -0.06 -0.24 0.00 -0.01 0.00 0.00 64.34 64.03 3aay n VAL 157 Cb 0.28 -0.90 -0.10 0.00 -0.91 0.00 0.00 33.84 32.22 3aay n VAL 157 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3aay s LYS 158 N -2.06 1.79 0.25 5.55 1.02 -0.37 -4.61 119.74 121.31 3aay s LYS 158 Ca -0.04 -1.69 -0.30 0.00 0.02 0.00 0.00 55.97 53.96 3aay s LYS 158 Cb 0.01 -1.85 -0.10 0.00 -0.52 0.00 0.00 37.83 35.37 3aay s LYS 158 CO 0.07 0.34 1.41 -0.80 -0.92 0.00 0.00 175.35 175.45 3aay s ASN 159 N -3.51 6.69 -0.25 2.83 0.01 0.39 -4.83 114.94 116.26 3aay s ASN 159 Ca 0.30 2.65 0.02 0.00 -0.71 0.00 0.00 52.86 55.12 3aay s ASN 159 Cb -0.05 -2.63 0.06 0.00 0.41 0.00 0.00 41.25 39.04 3aay s ASN 159 CO 0.16 -0.67 -0.08 -0.76 -1.51 0.00 0.00 177.10 174.24 3aay s LEU 160 N -0.53 3.12 -0.37 0.60 1.43 -1.26 -0.60 118.68 121.07 3aay s LEU 160 Ca 0.58 -1.33 -0.13 0.00 -1.03 0.00 0.00 54.13 52.22 3aay s LEU 160 Cb -0.41 -1.40 0.01 0.00 0.03 0.00 0.00 46.19 44.42 3aay s LEU 160 CO 0.44 -0.21 0.24 -0.63 0.23 0.00 0.00 176.35 176.41 3aay s ILE 161 N 1.22 4.98 -0.34 -0.59 -1.09 0.12 -0.56 121.20 124.94 3aay s ILE 161 Ca -0.07 -0.55 -0.15 0.00 -2.23 0.00 0.00 60.65 57.64 3aay s ILE 161 Cb -0.19 -3.68 -0.01 0.00 -1.58 0.00 0.00 42.46 36.99 3aay s ILE 161 CO -0.06 -0.15 0.37 -0.62 -1.23 0.00 0.00 174.94 173.26 3aay s ASP 162 N 1.65 6.19 -0.06 3.58 -1.08 0.22 -1.27 116.67 125.90 3aay s ASP 162 Ca 0.04 -0.18 0.18 0.00 -0.52 0.00 0.00 52.55 52.08 3aay s ASP 162 Cb -0.18 -2.20 0.62 0.00 -1.46 0.00 0.00 42.92 39.69 3aay s ASP 162 CO 0.09 -0.34 1.53 1.33 0.52 0.00 0.00 175.17 178.29 3aay n VAL 163 N 5.25 1.44 -1.61 1.11 0.24 -0.66 -1.18 118.33 122.91 3aay n VAL 163 Ca -0.09 -1.14 -0.27 0.00 -2.04 0.00 0.00 64.34 60.80 3aay n VAL 163 Cb 0.49 0.30 0.20 0.00 -1.47 0.00 0.00 33.84 33.36 3aay n VAL 163 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3aay n ARG 164 N 1.11 -1.67 -1.55 7.34 1.74 -1.26 -2.41 116.66 119.96 3aay n ARG 164 Ca 0.23 -1.80 -0.33 0.00 -0.77 0.00 0.00 57.85 55.18 3aay n ARG 164 Cb 0.72 -1.32 0.07 0.00 -1.02 0.00 0.00 32.46 30.92 3aay n ARG 164 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3aay s SER 165 N -5.10 4.64 0.33 0.55 1.04 -1.26 -4.23 113.70 109.66 3aay s SER 165 Ca 0.68 2.11 0.06 0.00 0.48 0.00 0.00 55.95 59.28 3aay s SER 165 Cb -0.03 -2.56 0.71 0.00 0.10 0.00 0.00 66.02 64.24 3aay s SER 165 CO 0.49 -1.95 1.88 -0.65 0.98 0.00 0.00 173.24 173.98 3aay h PRO 166 N -0.28 0.79 0.00 4.02 0.11 -1.98 -0.09 132.00 134.57 3aay h PRO 166 Ca -0.47 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.47 3aay h PRO 166 Cb 1.26 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3aay h PRO 166 CO 0.52 0.52 -0.59 -0.44 -0.21 0.00 0.00 178.00 177.80 3aay h ASP 167 N 0.81 0.00 -0.08 -2.05 3.32 -1.95 -1.24 116.42 115.24 3aay h ASP 167 Ca 0.43 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.46 3aay h ASP 167 Cb 0.54 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 3aay h ASP 167 CO -0.20 0.59 -0.06 -0.33 -1.72 0.00 0.00 179.24 177.53 3aay h GLU 168 N 0.00 0.17 -0.50 3.56 5.08 -1.57 -1.07 114.58 120.25 3aay h GLU 168 Ca -0.01 -0.09 0.06 0.00 -1.00 0.00 0.00 59.36 58.33 3aay h GLU 168 Cb 1.07 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.26 3aay h GLU 168 CO 0.08 0.58 0.21 0.35 -1.00 0.00 0.00 179.01 179.23 3aay h PHE 169 N -0.23 0.38 0.00 4.33 3.57 -0.81 -2.24 116.94 121.95 3aay h PHE 169 Ca 0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3aay h PHE 169 Cb 0.54 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.18 3aay h PHE 169 CO 0.08 0.16 0.00 -1.13 -2.23 0.00 0.00 178.31 175.19 3aay n SER 170 N -4.95 0.75 0.00 0.41 3.41 -0.49 -3.57 113.62 109.18 3aay n SER 170 Ca 0.05 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 3aay n SER 170 Cb 0.17 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 3aay n SER 170 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3aay n GLY 171 N 0.56 0.70 0.28 5.00 0.00 -0.84 0.10 105.19 110.99 3aay n GLY 171 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 3aay n GLY 171 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3aay h LYS 172 N 4.13 0.70 -5.62 1.61 3.64 -1.51 -3.43 116.57 116.09 3aay h LYS 172 Ca 0.00 -0.18 -0.54 0.00 -1.27 0.00 0.00 60.65 58.66 3aay h LYS 172 Cb 0.00 -0.08 -0.29 0.00 -0.41 0.00 0.00 32.23 31.44 3aay h LYS 172 CO 0.00 0.72 -0.83 0.42 -2.27 0.00 0.00 179.45 177.49 3aay s ILE 173 N -4.95 1.36 -0.01 2.00 1.01 -0.51 -5.01 121.20 115.08 3aay s ILE 173 Ca -0.09 -0.73 -0.22 0.00 0.00 0.00 0.00 60.65 59.61 3aay s ILE 173 Cb 0.15 -1.14 -0.14 0.00 0.01 0.00 0.00 42.46 41.34 3aay s ILE 173 CO 0.80 0.39 0.99 0.25 0.00 0.00 0.00 174.94 177.36 3aay h LEU 174 N 5.74 -0.42 -7.85 2.97 5.85 -1.87 -3.37 115.31 116.36 3aay h LEU 174 Ca -0.36 -0.13 0.16 0.00 0.84 0.00 0.00 57.88 58.38 3aay h LEU 174 Cb 1.15 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.24 3aay h LEU 174 CO 0.48 0.00 0.55 0.00 -0.34 0.00 0.00 178.44 179.13 3aay s ALA 175 N -4.39 -1.58 0.57 1.25 0.00 -1.26 -4.83 121.76 111.52 3aay s ALA 175 Ca -0.12 -0.19 -0.19 0.00 0.00 0.00 0.00 51.96 51.45 3aay s ALA 175 Cb 0.01 0.71 -0.05 0.00 0.00 0.00 0.00 23.12 23.80 3aay s ALA 175 CO 0.44 -1.05 1.17 -2.14 0.00 0.00 0.00 175.76 174.18 3aay s PRO 176 N -2.52 3.13 0.53 0.00 0.02 -1.26 -5.02 135.00 129.88 3aay s PRO 176 Ca 0.18 1.73 -0.19 0.00 0.02 0.00 0.00 61.00 62.74 3aay s PRO 176 Cb -0.02 -1.96 -0.07 0.00 0.02 0.00 0.00 34.50 32.47 3aay s PRO 176 CO 0.04 -1.05 1.07 0.00 -0.33 0.00 0.00 177.00 176.73 3aay s ALA 177 N -1.68 2.78 -1.14 -1.55 0.00 -1.26 -3.79 121.76 115.12 3aay s ALA 177 Ca 0.75 0.63 0.00 0.00 0.00 0.00 0.00 51.96 53.34 3aay s ALA 177 Cb -0.27 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.56 3aay s ALA 177 CO 0.30 -0.57 0.00 -2.39 0.00 0.00 0.00 175.76 173.11 3aay n HIS 178 N -1.31 -0.11 -3.32 0.00 1.44 -1.26 -4.92 115.22 105.74 3aay n HIS 178 Ca 0.10 0.00 -0.26 0.00 -2.01 0.00 0.00 57.72 55.55 3aay n HIS 178 Cb 0.52 -2.20 -0.07 0.00 0.12 0.00 0.00 29.99 28.36 3aay n HIS 178 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 3aay n LEU 179 N -1.34 2.65 0.27 2.39 7.94 -1.25 -4.96 117.00 122.71 3aay n LEU 179 Ca -0.12 -5.22 0.16 0.00 -1.11 0.00 0.00 56.01 49.72 3aay n LEU 179 Cb 0.42 -0.23 0.89 0.00 0.53 0.00 0.00 43.42 45.03 3aay n LEU 179 CO 0.17 2.08 1.13 1.55 -1.11 0.00 0.00 177.39 181.21 3aay h PRO 180 N 4.03 0.00 -0.52 1.96 0.13 -1.91 -1.27 132.00 134.43 3aay h PRO 180 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3aay h PRO 180 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 3aay h PRO 180 CO 0.72 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.53 3aay n GLN 181 N -3.84 4.18 -0.99 0.86 6.02 -1.26 -4.25 117.38 118.09 3aay n GLN 181 Ca -0.02 -3.01 0.05 0.00 -0.01 0.00 0.00 57.00 54.01 3aay n GLN 181 Cb 0.14 -2.07 0.10 0.00 1.02 0.00 0.00 30.24 29.43 3aay n GLN 181 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3aay n GLU 182 N 0.48 0.67 -2.68 -1.09 1.02 -0.48 -5.05 120.64 113.51 3aay n GLU 182 Ca 0.26 -2.44 -0.21 0.00 -0.02 0.00 0.00 57.16 54.75 3aay n GLU 182 Cb 1.05 -0.73 0.04 0.00 -0.02 0.00 0.00 31.44 31.78 3aay n GLU 182 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3aay s GLN 183 N -1.38 2.48 0.24 3.49 -1.52 -1.25 -4.78 119.66 116.94 3aay s GLN 183 Ca 0.33 -0.88 -0.02 0.00 -1.95 0.00 0.00 55.36 52.83 3aay s GLN 183 Cb 0.34 -2.50 0.01 0.00 -0.22 0.00 0.00 33.01 30.64 3aay s GLN 183 CO -0.11 -0.75 0.35 -1.13 -0.25 0.00 0.00 175.29 173.41 3aay n SER 184 N -2.34 -0.99 0.07 5.90 3.41 -1.26 -4.55 113.62 113.86 3aay n SER 184 Ca 0.09 -2.26 0.11 0.00 -0.26 0.00 0.00 58.87 56.55 3aay n SER 184 Cb 0.60 1.81 0.01 0.00 -0.26 0.00 0.00 64.21 66.37 3aay n SER 184 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3aay n GLN 185 N -0.39 0.50 -3.83 4.33 1.13 0.59 -4.92 117.38 114.78 3aay n GLN 185 Ca -0.00 0.05 -0.12 0.00 -1.94 0.00 0.00 57.00 54.99 3aay n GLN 185 Cb 0.40 -1.72 -0.11 0.00 0.11 0.00 0.00 30.24 28.91 3aay n GLN 185 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3aay s ARG 186 N -3.32 0.30 0.58 -1.09 1.81 -0.55 -5.01 118.95 111.66 3aay s ARG 186 Ca 0.00 0.03 -0.04 0.00 -1.72 0.00 0.00 55.73 54.01 3aay s ARG 186 Cb 0.12 0.13 0.02 0.00 -0.45 0.00 0.00 34.95 34.77 3aay s ARG 186 CO 0.80 -0.06 0.86 -1.25 -0.68 0.00 0.00 175.30 174.98 3aay s PRO 187 N -0.39 2.78 0.00 3.54 0.04 -1.26 -4.77 135.00 134.93 3aay s PRO 187 Ca -0.05 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 60.77 3aay s PRO 187 Cb -0.03 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.18 3aay s PRO 187 CO 0.01 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 176.74 3aay n GLY 188 N -2.52 0.64 3.27 0.56 0.00 -1.25 -4.84 105.19 101.04 3aay n GLY 188 Ca 0.05 -2.16 -0.16 0.00 0.00 0.00 0.00 46.02 43.75 3aay n GLY 188 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3aay s HIS 189 N -0.91 1.42 0.07 1.61 -3.43 -0.11 -4.64 115.29 109.31 3aay s HIS 189 Ca 0.00 -1.38 -0.30 0.00 -0.80 0.00 0.00 55.06 52.57 3aay s HIS 189 Cb 0.00 -0.72 -0.06 0.00 -1.43 0.00 0.00 32.58 30.38 3aay s HIS 189 CO 0.00 -0.59 1.13 0.42 -2.00 0.00 0.00 174.74 173.71 3aay s ILE 190 N -3.85 4.16 0.16 -5.38 1.01 -1.26 -1.17 121.20 114.87 3aay s ILE 190 Ca 0.38 1.61 -0.34 0.00 0.00 0.00 0.00 60.65 62.30 3aay s ILE 190 Cb 0.06 -4.03 -0.15 0.00 0.01 0.00 0.00 42.46 38.35 3aay s ILE 190 CO 0.16 0.16 1.37 -2.65 0.00 0.00 0.00 174.94 173.98 3aay n PRO 191 N 3.58 1.59 -0.06 2.79 -0.02 -1.26 -1.16 135.00 140.46 3aay n PRO 191 Ca 0.07 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3aay n PRO 191 Cb 0.47 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 3aay n PRO 191 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3aay n GLY 192 N 2.55 1.75 3.73 -1.23 0.00 -1.26 -4.58 105.19 106.14 3aay n GLY 192 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 3aay n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aay s ALA 193 N -2.68 2.30 0.04 4.61 0.00 -0.30 -4.73 121.76 120.99 3aay s ALA 193 Ca 0.00 1.03 0.05 0.00 0.00 0.00 0.00 51.96 53.04 3aay s ALA 193 Cb 0.00 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 3aay s ALA 193 CO 0.00 -1.63 -0.11 0.96 0.00 0.00 0.00 175.76 174.98 3aay s ILE 194 N -1.69 3.32 -0.34 0.00 -4.36 0.27 -4.96 121.20 113.45 3aay s ILE 194 Ca 0.78 -1.01 -0.14 0.00 -0.26 0.00 0.00 60.65 60.02 3aay s ILE 194 Cb -0.32 -2.46 -0.02 0.00 1.25 0.00 0.00 42.46 40.91 3aay s ILE 194 CO 0.41 0.32 0.33 0.21 0.24 0.00 0.00 174.94 176.44 3aay s ASN 195 N -1.59 6.15 -0.45 4.36 2.47 -1.26 -0.61 114.94 124.01 3aay s ASN 195 Ca 0.17 -0.25 0.02 0.00 0.42 0.00 0.00 52.86 53.23 3aay s ASN 195 Cb -0.11 -2.18 0.13 0.00 -1.45 0.00 0.00 41.25 37.64 3aay s ASN 195 CO 0.08 -0.30 0.24 -0.69 -3.72 0.00 0.00 177.10 172.71 3aay s VAL 196 N 1.94 1.61 0.27 -5.21 1.01 -0.32 -4.96 120.40 114.74 3aay s VAL 196 Ca 0.10 -2.67 -0.29 0.00 0.00 0.00 0.00 61.98 59.13 3aay s VAL 196 Cb -0.17 -2.13 -0.14 0.00 0.00 0.00 0.00 36.38 33.95 3aay s VAL 196 CO 0.11 -0.87 1.12 -2.65 0.00 0.00 0.00 175.10 172.82 3aay n PRO 197 N 3.50 1.52 -0.31 2.72 -0.02 -1.26 -4.22 135.00 136.92 3aay n PRO 197 Ca 0.08 0.53 0.16 0.00 -2.02 0.00 0.00 63.50 62.25 3aay n PRO 197 Cb 0.34 -1.99 0.40 0.00 -0.02 0.00 0.00 33.50 32.23 3aay n PRO 197 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 3aay h TRP 198 N 2.57 0.86 0.00 6.00 5.08 -1.77 -2.42 115.95 126.27 3aay h TRP 198 Ca -0.42 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.58 3aay h TRP 198 Cb 1.32 -0.26 0.00 0.00 -3.00 0.00 0.00 29.16 27.22 3aay h TRP 198 CO 0.50 0.20 0.00 0.66 -1.28 0.00 0.00 178.44 178.52 3aay h SER 199 N 0.63 0.00 0.00 0.11 4.64 -1.88 -2.30 113.55 114.74 3aay h SER 199 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 3aay h SER 199 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3aay h SER 199 CO -0.30 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 175.69 3aay h ARG 200 N 0.00 0.00 -0.04 4.77 3.08 -1.78 -1.72 114.38 118.69 3aay h ARG 200 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3aay h ARG 200 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3aay h ARG 200 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 3aay n ALA 201 N -1.91 2.51 -2.46 0.04 0.00 -0.86 -4.94 120.51 112.89 3aay n ALA 201 Ca -0.02 -0.58 -0.27 0.00 0.00 0.00 0.00 53.44 52.57 3aay n ALA 201 Cb 0.05 -0.98 -0.13 0.00 0.00 0.00 0.00 19.45 18.39 3aay n ALA 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3aay s ALA 202 N -1.98 2.04 0.81 0.00 0.00 -0.65 -1.48 121.76 120.50 3aay s ALA 202 Ca 0.33 -1.30 -0.12 0.00 0.00 0.00 0.00 51.96 50.87 3aay s ALA 202 Cb 0.20 -0.33 0.08 0.00 0.00 0.00 0.00 23.12 23.08 3aay s ALA 202 CO 0.32 0.45 1.17 -0.80 0.00 0.00 0.00 175.76 176.89 3aay s ASN 203 N -1.78 4.48 0.39 0.00 0.02 0.85 -4.85 114.94 114.05 3aay s ASN 203 Ca 0.10 0.84 0.10 0.00 -1.02 0.00 0.00 52.86 52.88 3aay s ASN 203 Cb -0.10 -1.38 0.88 0.00 0.02 0.00 0.00 41.25 40.68 3aay s ASN 203 CO 0.04 -1.93 1.95 -0.33 0.02 0.00 0.00 177.10 176.85 3aay h GLU 204 N -1.07 0.58 -0.10 -0.60 5.08 -1.97 -1.12 114.58 115.37 3aay h GLU 204 Ca -0.46 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3aay h GLU 204 Cb 1.32 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3aay h GLU 204 CO 0.65 0.38 0.00 -0.40 -1.00 0.00 0.00 179.01 178.64 3aay n ASP 205 N -4.49 0.76 0.00 1.42 5.68 -1.26 -4.89 116.55 113.77 3aay n ASP 205 Ca 0.12 -1.71 0.00 0.00 -0.50 0.00 0.00 54.79 52.70 3aay n ASP 205 Cb 0.34 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 3aay n ASP 205 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3aay n GLY 206 N 0.87 2.01 3.77 6.12 0.00 -0.43 -3.36 105.19 114.17 3aay n GLY 206 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 3aay n GLY 206 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3aay s THR 207 N -2.35 3.13 0.40 2.61 -4.23 -1.26 -3.69 115.64 110.25 3aay s THR 207 Ca 0.00 0.55 -0.26 0.00 -1.18 0.00 0.00 61.69 60.80 3aay s THR 207 Cb 0.00 -3.08 -0.09 0.00 1.34 0.00 0.00 72.50 70.67 3aay s THR 207 CO 0.00 -0.30 1.28 -0.36 -0.54 0.00 0.00 174.62 174.70 3aay s PHE 208 N -2.23 2.87 1.10 3.99 0.08 -1.26 -0.11 117.98 122.42 3aay s PHE 208 Ca 0.68 1.44 -0.13 0.00 0.12 0.00 0.00 56.93 59.04 3aay s PHE 208 Cb -0.22 -3.63 0.25 0.00 -0.57 0.00 0.00 43.02 38.85 3aay s PHE 208 CO 0.40 -1.95 1.06 0.15 -0.10 0.00 0.00 175.22 174.78 3aay s LYS 209 N -2.22 -0.40 0.73 0.44 1.02 -0.55 -4.76 119.74 114.00 3aay s LYS 209 Ca 0.56 0.60 -0.12 0.00 0.02 0.00 0.00 55.97 57.03 3aay s LYS 209 Cb -0.37 -1.63 0.03 0.00 -0.52 0.00 0.00 37.83 35.34 3aay s LYS 209 CO 0.47 -3.31 1.09 -1.54 -0.92 0.00 0.00 175.35 171.14 3aay s SER 210 N -3.05 4.82 0.26 2.83 1.04 -1.26 -4.80 113.70 113.54 3aay s SER 210 Ca 0.67 1.84 -0.01 0.00 0.48 0.00 0.00 55.95 58.93 3aay s SER 210 Cb -0.21 -2.53 0.50 0.00 0.10 0.00 0.00 66.02 63.89 3aay s SER 210 CO 0.61 -1.82 1.79 0.44 0.98 0.00 0.00 173.24 175.24 3aay h ASP 211 N -0.72 0.65 -0.23 7.02 3.32 -1.95 -0.10 116.42 124.40 3aay h ASP 211 Ca -0.44 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 56.68 3aay h ASP 211 Cb 1.23 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 3aay h ASP 211 CO 0.53 0.31 0.14 -0.08 -1.72 0.00 0.00 179.24 178.42 3aay h GLU 212 N 0.74 0.31 -0.49 3.56 4.81 -2.00 -0.71 114.58 120.80 3aay h GLU 212 Ca 0.45 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.65 3aay h GLU 212 Cb 0.55 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 3aay h GLU 212 CO -0.31 0.25 0.27 0.93 -0.73 0.00 0.00 179.01 179.41 3aay h GLU 213 N 0.28 0.69 -0.17 1.92 5.08 -1.78 -2.66 114.58 117.94 3aay h GLU 213 Ca 0.08 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3aay h GLU 213 Cb 0.02 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 3aay h GLU 213 CO -0.02 0.55 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.37 3aay h LEU 214 N 0.65 0.38 -0.72 1.33 3.38 -0.94 -1.63 115.31 117.75 3aay h LEU 214 Ca 0.17 -0.43 0.06 0.00 0.09 0.00 0.00 57.88 57.77 3aay h LEU 214 Cb 0.06 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 3aay h LEU 214 CO -0.03 0.73 0.42 0.00 0.09 0.00 0.00 178.44 179.65 3aay h ALA 215 N 0.66 0.98 -0.43 1.53 0.00 -1.15 -2.14 119.26 118.71 3aay h ALA 215 Ca 0.03 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3aay h ALA 215 Cb 0.59 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3aay h ALA 215 CO 0.03 0.11 0.06 -0.22 0.00 0.00 0.00 179.25 179.23 3aay h LYS 216 N 0.77 0.73 -0.15 0.00 3.64 -1.43 -0.96 116.57 119.17 3aay h LYS 216 Ca 0.32 -0.20 0.05 0.00 -1.27 0.00 0.00 60.65 59.55 3aay h LYS 216 Cb 0.19 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.87 3aay h LYS 216 CO -0.18 0.76 -0.20 1.25 -2.27 0.00 0.00 179.45 178.81 3aay h LEU 217 N 0.58 -0.63 -0.15 5.20 5.85 -0.73 -0.07 115.31 125.37 3aay h LEU 217 Ca 0.13 0.11 -0.22 0.00 0.84 0.00 0.00 57.88 58.74 3aay h LEU 217 Cb 0.40 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3aay h LEU 217 CO 0.01 -0.25 -0.98 1.88 -0.34 0.00 0.00 178.44 178.76 3aay h TYR 218 N -0.25 0.38 -0.56 1.25 0.05 -1.36 -2.37 116.97 114.11 3aay h TYR 218 Ca 0.11 -0.23 -0.04 0.00 0.05 0.00 0.00 58.73 58.62 3aay h TYR 218 Cb 0.40 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.08 3aay h TYR 218 CO -0.32 1.08 0.19 0.00 -1.05 0.00 0.00 178.16 178.06 3aay h ALA 219 N 0.84 0.74 -0.17 3.88 0.00 -1.00 -0.25 119.26 123.30 3aay h ALA 219 Ca -0.07 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 3aay h ALA 219 Cb 1.64 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 3aay h ALA 219 CO 0.15 0.39 -0.29 -0.44 0.00 0.00 0.00 179.25 179.06 3aay h ASP 220 N 0.78 0.33 1.45 0.00 3.32 -0.96 -2.26 116.42 119.09 3aay h ASP 220 Ca 0.18 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3aay h ASP 220 Cb 0.26 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3aay h ASP 220 CO -0.01 0.62 0.00 0.00 -1.72 0.00 0.00 179.24 178.13 3aay h ALA 221 N 1.41 1.00 0.00 3.45 0.00 -1.28 -3.47 119.26 120.37 3aay h ALA 221 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3aay h ALA 221 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3aay h ALA 221 CO 0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.71 3aay n GLY 222 N 1.00 1.60 3.67 0.00 0.00 -0.85 -4.86 105.19 105.75 3aay n GLY 222 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3aay n GLY 222 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3aay s LEU 223 N 0.00 4.41 -0.38 0.99 2.96 -0.16 -4.94 118.68 121.56 3aay s LEU 223 Ca 0.00 2.61 -0.18 0.00 -0.22 0.00 0.00 54.13 56.35 3aay s LEU 223 Cb 0.00 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.16 3aay s LEU 223 CO 0.00 -1.02 0.49 -0.62 -1.32 0.00 0.00 176.35 173.88 3aay s ASP 224 N 3.89 6.26 0.00 3.68 -1.08 -1.26 -4.71 116.67 123.45 3aay s ASP 224 Ca 0.84 -0.30 0.22 0.00 -0.52 0.00 0.00 52.55 52.79 3aay s ASP 224 Cb -0.42 -2.25 1.30 0.00 -1.46 0.00 0.00 42.92 40.10 3aay s ASP 224 CO 0.38 -0.53 1.70 0.59 0.52 0.00 0.00 175.17 177.83 3aay n ASN 225 N 5.72 0.00 -0.27 -0.34 5.03 -1.26 -1.54 115.26 122.61 3aay n ASN 225 Ca -0.06 -0.63 0.14 0.00 0.87 0.00 0.00 54.58 54.90 3aay n ASN 225 Cb 0.48 -0.03 0.50 0.00 -1.02 0.00 0.00 39.78 39.71 3aay n ASN 225 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3aay n SER 226 N -1.03 0.98 -4.35 6.41 3.41 -1.26 -4.93 113.62 112.85 3aay n SER 226 Ca 0.16 -0.98 -0.28 0.00 -0.26 0.00 0.00 58.87 57.51 3aay n SER 226 Cb 0.08 0.04 -0.13 0.00 -0.26 0.00 0.00 64.21 63.95 3aay n SER 226 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3aay s LYS 227 N -2.34 1.42 1.03 4.33 1.02 -0.59 -5.12 119.74 119.49 3aay s LYS 227 Ca 0.30 -1.23 -0.16 0.00 0.02 0.00 0.00 55.97 54.90 3aay s LYS 227 Cb 0.20 -1.78 0.21 0.00 -0.52 0.00 0.00 37.83 35.94 3aay s LYS 227 CO 0.45 0.43 1.19 -1.21 -0.92 0.00 0.00 175.35 175.30 3aay s GLU 228 N -1.80 0.15 0.01 1.68 2.02 -1.26 -4.72 118.70 114.78 3aay s GLU 228 Ca 0.12 -0.08 0.00 0.00 0.02 0.00 0.00 54.97 55.02 3aay s GLU 228 Cb -0.10 -1.76 -0.01 0.00 0.10 0.00 0.00 34.13 32.36 3aay s GLU 228 CO 0.05 -2.79 -0.02 0.99 0.02 0.00 0.00 175.26 173.50 3aay s THR 229 N -3.41 0.08 -0.03 3.63 2.01 -0.46 -0.46 115.64 116.99 3aay s THR 229 Ca 0.70 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 62.23 3aay s THR 229 Cb -0.09 -0.16 0.00 0.00 0.01 0.00 0.00 72.50 72.26 3aay s THR 229 CO 0.54 -0.27 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.45 3aay s ILE 230 N -0.80 1.05 0.09 1.82 1.01 0.23 -1.18 121.20 123.42 3aay s ILE 230 Ca -0.09 -0.50 0.06 0.00 0.00 0.00 0.00 60.65 60.12 3aay s ILE 230 Cb -0.05 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 3aay s ILE 230 CO -0.01 0.32 -0.04 0.00 0.00 0.00 0.00 174.94 175.21 3aay s ALA 231 N 0.16 3.14 0.22 9.38 0.00 -0.16 -0.70 121.76 133.81 3aay s ALA 231 Ca -0.04 -1.16 -0.15 0.00 0.00 0.00 0.00 51.96 50.60 3aay s ALA 231 Cb -0.10 -1.07 0.01 0.00 0.00 0.00 0.00 23.12 21.96 3aay s ALA 231 CO 0.01 0.67 0.50 1.52 0.00 0.00 0.00 175.76 178.47 3aay s TYR 232 N -1.26 0.10 0.01 0.00 1.13 -0.40 -1.07 117.35 115.87 3aay s TYR 232 Ca 0.24 -0.47 -0.24 0.00 -1.41 0.00 0.00 57.07 55.19 3aay s TYR 232 Cb -0.11 0.31 -0.17 0.00 -1.10 0.00 0.00 41.96 40.88 3aay s TYR 232 CO 0.16 -0.96 1.36 0.00 -2.51 0.00 0.00 175.55 173.60 3aay h ARG 234 N 2.24 0.11 0.00 -3.49 3.08 -1.93 -1.76 114.38 112.63 3aay h ARG 234 Ca -0.27 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.73 3aay h ARG 234 Cb 1.25 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 3aay h ARG 234 CO 0.36 0.49 -0.13 0.44 -1.07 0.00 0.00 179.97 180.07 3aay n ILE 235 N -4.81 0.50 -0.04 2.04 -5.35 -1.26 -1.80 119.36 108.65 3aay n ILE 235 Ca -0.07 -0.56 0.00 0.00 -0.27 0.00 0.00 62.75 61.85 3aay n ILE 235 Cb 0.24 0.58 0.00 0.00 -1.74 0.00 0.00 39.64 38.72 3aay n ILE 235 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3aay n GLY 236 N -0.33 0.49 0.15 3.28 0.00 -1.25 -4.80 105.19 102.73 3aay n GLY 236 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 3aay n GLY 236 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3aay h GLU 237 N 4.82 -0.35 0.00 1.61 9.09 -1.92 -2.06 114.58 125.78 3aay h GLU 237 Ca 0.00 0.02 -0.05 0.00 0.05 0.00 0.00 59.36 59.38 3aay h GLU 237 Cb 0.00 0.08 -0.01 0.00 -1.65 0.00 0.00 28.75 27.17 3aay h GLU 237 CO 0.00 -0.23 -0.25 0.00 0.05 0.00 0.00 179.01 178.58 3aay h ARG 238 N -0.53 0.00 0.00 1.06 -0.00 -1.94 -2.49 114.38 110.48 3aay h ARG 238 Ca -0.04 0.00 -0.07 0.00 -0.50 0.00 0.00 59.98 59.38 3aay h ARG 238 Cb 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.24 3aay h ARG 238 CO 0.06 0.25 -0.31 0.66 0.00 0.00 0.00 179.97 180.63 3aay h SER 239 N 0.00 0.00 -0.37 7.04 4.64 -1.84 -2.03 113.55 120.98 3aay h SER 239 Ca -0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3aay h SER 239 Cb 0.77 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.84 3aay h SER 239 CO 0.03 0.31 0.03 0.28 -0.87 0.00 0.00 176.83 176.61 3aay h SER 240 N 0.00 0.69 -0.26 4.97 0.02 -0.88 0.18 113.55 118.27 3aay h SER 240 Ca -0.00 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.76 3aay h SER 240 Cb 0.74 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 3aay h SER 240 CO 0.04 0.75 0.00 -0.74 -1.14 0.00 0.00 176.83 175.74 3aay h HIS 241 N 0.69 0.50 -0.48 3.45 6.17 -1.49 -1.46 115.15 122.54 3aay h HIS 241 Ca 0.14 -0.09 -0.09 0.00 0.71 0.00 0.00 60.37 61.05 3aay h HIS 241 Cb 0.39 -0.13 -0.02 0.00 2.52 0.00 0.00 27.41 30.17 3aay h HIS 241 CO 0.02 0.62 -0.05 1.15 0.71 0.00 0.00 177.93 180.38 3aay h THR 242 N 0.24 1.25 -0.87 6.26 2.02 -1.26 -2.04 112.91 118.50 3aay h THR 242 Ca 0.07 -1.10 0.04 0.00 0.77 0.00 0.00 66.41 66.19 3aay h THR 242 Cb 0.42 0.93 -0.05 0.00 -1.74 0.00 0.00 68.15 67.71 3aay h THR 242 CO 0.01 0.39 0.56 -0.25 0.37 0.00 0.00 175.52 176.60 3aay h TRP 243 N 0.77 1.04 -0.43 3.16 7.01 -0.42 -0.35 115.95 126.73 3aay h TRP 243 Ca 0.14 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.16 3aay h TRP 243 Cb 0.53 -0.34 -0.02 0.00 -2.10 0.00 0.00 29.16 27.23 3aay h TRP 243 CO 0.03 0.58 0.24 0.35 -2.79 0.00 0.00 178.44 176.85 3aay h PHE 244 N 1.07 0.59 -0.27 2.65 3.57 -0.98 -0.42 116.94 123.15 3aay h PHE 244 Ca 0.36 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.86 3aay h PHE 244 Cb 0.05 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 3aay h PHE 244 CO -0.02 0.44 0.14 0.28 -2.23 0.00 0.00 178.31 176.92 3aay h VAL 245 N 0.56 1.01 -0.05 1.41 2.07 -0.64 -0.21 116.25 120.41 3aay h VAL 245 Ca 0.15 -0.10 -0.21 0.00 0.82 0.00 0.00 66.70 67.36 3aay h VAL 245 Cb 0.04 0.69 0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3aay h VAL 245 CO -0.03 0.05 -0.79 -0.07 0.02 0.00 0.00 177.57 176.76 3aay h LEU 246 N 0.30 0.78 0.03 2.57 3.38 -0.85 -0.86 115.31 120.66 3aay h LEU 246 Ca 0.11 -0.71 -0.27 0.00 0.09 0.00 0.00 57.88 57.10 3aay h LEU 246 Cb 0.01 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3aay h LEU 246 CO -0.06 1.37 -1.46 -1.14 0.09 0.00 0.00 178.44 177.24 3aay n ARG 247 N -4.03 0.61 0.07 1.13 0.63 -0.19 -1.62 116.66 113.26 3aay n ARG 247 Ca -0.10 0.50 -0.23 0.00 -0.92 0.00 0.00 57.85 57.10 3aay n ARG 247 Cb 0.76 -1.73 -0.15 0.00 0.45 0.00 0.00 32.46 31.78 3aay n ARG 247 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 3aay h GLU 248 N -0.74 0.38 0.01 -0.14 4.39 -1.20 -2.90 114.58 114.38 3aay h GLU 248 Ca -0.37 -0.65 -0.20 0.00 0.34 0.00 0.00 59.36 58.47 3aay h GLU 248 Cb 1.49 0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 30.36 3aay h GLU 248 CO -0.14 1.31 -1.11 -0.07 -1.16 0.00 0.00 179.01 177.84 3aay h LEU 249 N 0.04 0.03 0.00 1.33 3.38 -1.27 -2.59 115.31 116.22 3aay h LEU 249 Ca -0.33 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.03 3aay h LEU 249 Cb 2.05 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.79 3aay h LEU 249 CO 0.17 1.44 -0.24 0.18 0.09 0.00 0.00 178.44 180.08 3aay n LEU 250 N -4.41 0.31 0.00 1.67 4.77 -0.34 -4.00 117.00 115.01 3aay n LEU 250 Ca -0.29 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3aay n LEU 250 Cb 0.67 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3aay n LEU 250 CO 0.22 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 3aay n GLY 251 N 1.47 0.49 3.73 -0.72 0.00 -1.09 -4.54 105.19 104.53 3aay n GLY 251 Ca 0.06 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 3aay n GLY 251 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3aay s HIS 252 N -2.00 2.99 -0.29 1.61 3.76 -0.64 -4.39 115.29 116.33 3aay s HIS 252 Ca 0.00 0.75 0.22 0.00 -0.15 0.00 0.00 55.06 55.87 3aay s HIS 252 Cb 0.00 -3.94 0.11 0.00 1.11 0.00 0.00 32.58 29.86 3aay s HIS 252 CO 0.00 -3.30 1.24 1.96 -0.85 0.00 0.00 174.74 173.80 3aay h GLN 253 N 5.94 0.00 -2.54 1.40 1.08 -1.89 -3.40 115.11 115.71 3aay h GLN 253 Ca -0.44 0.00 -0.60 0.00 -1.45 0.00 0.00 58.65 56.15 3aay h GLN 253 Cb 1.21 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 28.23 3aay h GLN 253 CO 0.86 0.06 -0.69 0.09 -0.95 0.00 0.00 178.83 178.20 3aay n ASN 254 N -2.88 2.53 -4.08 1.46 4.13 -1.26 -5.05 115.26 110.11 3aay n ASN 254 Ca 0.01 -3.13 -0.27 0.00 1.68 0.00 0.00 54.58 52.87 3aay n ASN 254 Cb 0.58 -0.69 -0.17 0.00 -1.54 0.00 0.00 39.78 37.97 3aay n ASN 254 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3aay s VAL 255 N -1.62 1.39 0.12 2.41 1.01 -1.26 -1.36 120.40 121.09 3aay s VAL 255 Ca 0.33 -0.63 0.09 0.00 0.00 0.00 0.00 61.98 61.78 3aay s VAL 255 Cb 0.06 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 3aay s VAL 255 CO -0.11 0.41 -0.21 -0.54 0.00 0.00 0.00 175.10 174.65 3aay s LYS 256 N 0.60 1.68 -0.21 2.72 1.02 -0.32 -4.49 119.74 120.74 3aay s LYS 256 Ca -0.15 -1.22 -0.15 0.00 0.02 0.00 0.00 55.97 54.47 3aay s LYS 256 Cb -0.16 -2.05 -0.04 0.00 -0.52 0.00 0.00 37.83 35.06 3aay s LYS 256 CO 0.05 0.47 0.35 1.21 -0.92 0.00 0.00 175.35 176.51 3aay s ASN 257 N -2.07 6.37 -0.79 2.83 2.47 -0.35 -0.99 114.94 122.40 3aay s ASN 257 Ca 0.16 0.43 -0.19 0.00 0.42 0.00 0.00 52.86 53.69 3aay s ASN 257 Cb -0.10 -2.20 0.13 0.00 -1.45 0.00 0.00 41.25 37.62 3aay s ASN 257 CO 0.09 -0.05 0.96 -0.47 -3.72 0.00 0.00 177.10 173.91 3aay s TYR 258 N 1.26 3.10 0.28 0.43 5.04 -0.23 -1.40 117.35 125.83 3aay s TYR 258 Ca 0.17 -1.23 0.06 0.00 -2.44 0.00 0.00 57.07 53.62 3aay s TYR 258 Cb -0.14 -4.16 0.41 0.00 0.35 0.00 0.00 41.96 38.41 3aay s TYR 258 CO 0.07 -1.41 1.68 0.38 -1.34 0.00 0.00 175.55 174.93 3aay h ASP 259 N 8.90 0.29 -0.61 4.32 2.03 -1.87 -2.57 116.42 126.90 3aay h ASP 259 Ca -0.03 -0.12 0.10 0.00 -0.73 0.00 0.00 57.03 56.25 3aay h ASP 259 Cb 1.05 -0.08 -0.07 0.00 -0.83 0.00 0.00 39.33 39.39 3aay h ASP 259 CO 1.07 0.68 0.21 1.23 -1.03 0.00 0.00 179.24 181.41 3aay h GLY 260 N 1.23 0.85 0.00 7.15 0.00 -1.87 -3.33 103.07 107.10 3aay h GLY 260 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.24 3aay h GLY 260 CO 0.07 -0.04 0.00 1.44 0.00 0.00 0.00 176.54 178.01 3aay n SER 261 N -5.02 -1.54 0.14 0.19 7.64 -0.97 -2.50 113.62 111.56 3aay n SER 261 Ca 0.09 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.96 3aay n SER 261 Cb 0.28 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.67 3aay n SER 261 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 3aay h TRP 262 N 0.00 0.00 -0.43 1.43 2.91 -1.85 -0.53 115.95 117.48 3aay h TRP 262 Ca 0.00 0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.06 3aay h TRP 262 Cb 0.00 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.63 3aay h TRP 262 CO 0.00 0.60 0.29 1.79 -1.03 0.00 0.00 178.44 180.09 3aay h THR 263 N 0.00 1.02 0.00 2.65 1.35 -1.44 0.26 112.91 116.74 3aay h THR 263 Ca -0.01 -0.15 -0.00 0.00 -0.55 0.00 0.00 66.41 65.70 3aay h THR 263 Cb 1.08 0.54 -0.00 0.00 -1.73 0.00 0.00 68.15 68.04 3aay h THR 263 CO 0.08 0.08 -0.03 -0.08 -0.25 0.00 0.00 175.52 175.32 3aay h GLU 264 N 0.44 0.00 -0.77 4.72 4.81 -1.16 -3.37 114.58 119.24 3aay h GLU 264 Ca 0.18 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.49 3aay h GLU 264 Cb 0.17 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.48 3aay h GLU 264 CO -0.04 0.01 0.44 -0.92 -0.73 0.00 0.00 179.01 177.77 3aay h TYR 265 N -1.00 0.81 0.00 0.92 5.03 -0.97 -0.26 116.97 121.49 3aay h TYR 265 Ca -0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 3aay h TYR 265 Cb 0.03 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.06 3aay h TYR 265 CO -0.01 0.36 0.00 0.41 -1.32 0.00 0.00 178.16 177.60 3aay n GLY 266 N -1.31 -0.82 0.03 1.82 0.00 0.89 -2.21 105.19 103.59 3aay n GLY 266 Ca 0.12 -0.11 0.01 0.00 0.00 0.00 0.00 46.02 46.04 3aay n GLY 266 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3aay n SER 267 N -0.82 0.38 -4.74 1.61 7.64 -0.16 -0.30 113.62 117.22 3aay n SER 267 Ca 0.13 -0.69 -0.41 0.00 1.01 0.00 0.00 58.87 58.90 3aay n SER 267 Cb 0.06 0.79 -0.03 0.00 -1.01 0.00 0.00 64.21 64.02 3aay n SER 267 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3aay s LEU 268 N -1.73 4.40 0.12 -3.43 1.43 -0.90 -4.88 118.68 113.69 3aay s LEU 268 Ca 0.02 2.51 -0.31 0.00 -1.03 0.00 0.00 54.13 55.32 3aay s LEU 268 Cb 0.02 -3.62 -0.08 0.00 0.03 0.00 0.00 46.19 42.55 3aay s LEU 268 CO 0.10 -0.60 1.37 -0.69 0.23 0.00 0.00 176.35 176.77 3aay s VAL 269 N 0.04 3.34 -0.70 -1.59 1.01 -1.26 -3.73 120.40 117.50 3aay s VAL 269 Ca 0.58 0.97 0.00 0.00 0.00 0.00 0.00 61.98 63.53 3aay s VAL 269 Cb -0.39 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.37 3aay s VAL 269 CO 0.40 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.20 3aay n GLY 270 N 3.38 0.87 3.76 4.51 0.00 -1.26 -5.02 105.19 111.44 3aay n GLY 270 Ca 0.11 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 3aay n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aay s ALA 271 N -2.14 3.28 0.28 4.61 0.00 -1.24 -5.00 121.76 121.55 3aay s ALA 271 Ca 0.00 0.60 -0.30 0.00 0.00 0.00 0.00 51.96 52.26 3aay s ALA 271 Cb 0.00 -3.21 -0.11 0.00 0.00 0.00 0.00 23.12 19.81 3aay s ALA 271 CO 0.00 0.17 1.51 -2.14 0.00 0.00 0.00 175.76 175.29 3aay s PRO 272 N -1.57 4.19 0.01 0.00 0.02 -1.26 -5.01 135.00 131.37 3aay s PRO 272 Ca 0.45 2.44 0.03 0.00 0.02 0.00 0.00 61.00 63.94 3aay s PRO 272 Cb -0.23 -3.06 -0.01 0.00 0.02 0.00 0.00 34.50 31.22 3aay s PRO 272 CO 0.29 -0.51 -0.08 0.42 -0.33 0.00 0.00 177.00 176.79 3aay s ILE 273 N -0.17 0.63 0.02 2.83 1.01 -1.26 -4.41 121.20 119.84 3aay s ILE 273 Ca 0.60 -0.50 0.07 0.00 0.00 0.00 0.00 60.65 60.82 3aay s ILE 273 Cb -0.45 -0.56 -0.02 0.00 0.01 0.00 0.00 42.46 41.44 3aay s ILE 273 CO 0.48 0.06 -0.22 -0.70 0.00 0.00 0.00 174.94 174.56 3aay s GLU 274 N -0.49 1.66 0.24 2.79 2.12 -0.31 -4.85 118.70 119.85 3aay s GLU 274 Ca 0.01 -0.91 0.10 0.00 0.36 0.00 0.00 54.97 54.53 3aay s GLU 274 Cb -0.04 -1.70 -0.04 0.00 0.26 0.00 0.00 34.13 32.60 3aay s GLU 274 CO -0.00 0.45 -0.07 -0.51 -0.54 0.00 0.00 175.26 174.59 3aay s LEU 275 N -0.89 3.01 0.00 2.70 1.43 -1.26 -0.93 118.68 122.74 3aay s LEU 275 Ca 0.09 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.49 3aay s LEU 275 Cb -0.09 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.55 3aay s LEU 275 CO 0.01 0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.24 3aay n GLY 276 N -0.56 -1.29 0.00 -3.19 0.00 0.11 -5.01 105.19 95.26 3aay n GLY 276 Ca -0.08 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.35 3aay n GLY 276 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06