#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 2.78 -0.32 3.04 0.00 0.07 -4.79 120.51 121.29 3aay n ALA 2 Ca 0.00 -2.58 0.13 0.00 0.00 0.00 0.00 53.44 50.99 3aay n ALA 2 Cb 0.00 -0.54 0.28 0.00 0.00 0.00 0.00 19.45 19.19 3aay n ALA 2 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3aay h ARG 3 N 0.84 0.06 -0.95 0.00 2.43 -1.77 -0.55 114.38 114.43 3aay h ARG 3 Ca 0.02 -0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.34 3aay h ARG 3 Cb 1.22 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.68 3aay h ARG 3 CO 0.12 0.04 0.60 0.00 -1.51 0.00 0.00 179.97 179.22 3aay n ASP 5 N -4.62 1.24 0.00 0.00 8.00 -0.23 -4.45 116.55 116.49 3aay n ASP 5 Ca 0.20 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.70 3aay n ASP 5 Cb 0.50 0.47 0.00 0.00 -0.02 0.00 0.00 41.12 42.06 3aay n ASP 5 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3aay n VAL 6 N -0.81 0.00 -3.85 2.53 0.24 -1.08 -4.79 118.33 110.57 3aay n VAL 6 Ca 0.08 -0.46 -0.12 0.00 -2.04 0.00 0.00 64.34 61.80 3aay n VAL 6 Cb 0.38 1.05 -0.14 0.00 -1.47 0.00 0.00 33.84 33.66 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 -0.75 1.83 0.08 1.34 2.96 -1.15 -1.16 118.68 121.83 3aay s LEU 7 Ca 0.00 0.03 0.07 0.00 -0.22 0.00 0.00 54.13 54.00 3aay s LEU 7 Cb 0.00 0.02 -0.03 0.00 0.50 0.00 0.00 46.19 46.68 3aay s LEU 7 CO 0.00 -0.02 -0.18 0.68 -1.32 0.00 0.00 176.35 175.51 3aay s VAL 8 N 0.16 1.45 0.62 1.68 -7.23 -0.39 -4.83 120.40 111.85 3aay s VAL 8 Ca -0.01 -1.39 -0.11 0.00 -1.81 0.00 0.00 61.98 58.65 3aay s VAL 8 Cb -0.02 -1.34 -0.04 0.00 0.56 0.00 0.00 36.38 35.54 3aay s VAL 8 CO -0.00 -0.09 1.03 -0.94 -0.31 0.00 0.00 175.10 174.78 3aay s SER 9 N -1.74 6.23 0.36 4.85 1.04 -1.26 -0.96 113.70 122.22 3aay s SER 9 Ca 0.03 1.43 0.03 0.00 0.48 0.00 0.00 55.95 57.93 3aay s SER 9 Cb -0.10 -2.47 0.67 0.00 0.10 0.00 0.00 66.02 64.22 3aay s SER 9 CO 0.03 -0.87 1.99 0.00 0.98 0.00 0.00 173.24 175.38 3aay h ALA 10 N -0.28 1.54 -0.19 5.32 0.00 -1.95 -0.15 119.26 123.55 3aay h ALA 10 Ca -0.44 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 3aay h ALA 10 Cb 1.19 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3aay h ALA 10 CO 0.62 0.40 0.10 0.22 0.00 0.00 0.00 179.25 180.58 3aay h ASP 11 N 0.74 0.25 -0.40 0.00 3.58 -1.98 -0.40 116.42 118.22 3aay h ASP 11 Ca 0.19 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.54 3aay h ASP 11 Cb -0.02 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 3aay h ASP 11 CO -0.04 0.29 0.26 -0.25 -2.88 0.00 0.00 179.24 176.63 3aay h TRP 12 N 0.19 0.51 0.00 0.28 7.01 -1.81 -3.03 115.95 119.10 3aay h TRP 12 Ca 0.07 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.10 3aay h TRP 12 Cb 0.11 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 26.96 3aay h TRP 12 CO -0.03 0.33 -0.16 0.00 -2.79 0.00 0.00 178.44 175.79 3aay h ALA 13 N 1.14 -0.19 -0.48 2.65 0.00 -0.77 -2.42 119.26 119.18 3aay h ALA 13 Ca 0.15 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.11 3aay h ALA 13 Cb -0.05 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3aay h ALA 13 CO -0.03 -0.65 0.32 1.49 0.00 0.00 0.00 179.25 180.38 3aay h GLU 14 N -0.27 0.43 0.00 0.00 4.81 -1.03 -0.48 114.58 118.04 3aay h GLU 14 Ca 0.05 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3aay h GLU 14 Cb 0.33 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.61 3aay h GLU 14 CO -0.15 0.29 0.00 0.43 -0.73 0.00 0.00 179.01 178.84 3aay n SER 15 N -4.48 0.00 -0.85 1.04 7.64 -0.94 -3.79 113.62 112.24 3aay n SER 15 Ca 0.06 -0.23 0.04 0.00 1.01 0.00 0.00 58.87 59.75 3aay n SER 15 Cb 0.22 -0.25 0.07 0.00 -1.01 0.00 0.00 64.21 63.24 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 -1.25 1.02 0.22 6.43 4.13 -0.22 -4.83 115.26 120.77 3aay n ASN 16 Ca 0.15 -2.50 0.06 0.00 1.68 0.00 0.00 54.58 53.97 3aay n ASN 16 Cb 0.21 -0.33 0.51 0.00 -1.54 0.00 0.00 39.78 38.63 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 0.57 0.00 -3.68 3.41 3.38 -1.57 -2.94 115.31 114.48 3aay h LEU 17 Ca -0.09 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.51 3aay h LEU 17 Cb 1.47 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.90 3aay h LEU 17 CO 0.04 0.21 -0.77 1.41 0.09 0.00 0.00 178.44 179.41 3aay n HIS 18 N -4.20 1.82 -2.95 1.13 8.25 -1.26 -4.93 115.22 113.08 3aay n HIS 18 Ca -0.02 -1.97 -0.34 0.00 -0.26 0.00 0.00 57.72 55.13 3aay n HIS 18 Cb 0.27 -0.30 -0.07 0.00 1.12 0.00 0.00 29.99 31.02 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 -3.40 3.21 0.18 -1.41 0.00 -1.11 -4.99 121.76 114.24 3aay s ALA 19 Ca 0.45 0.27 -0.33 0.00 0.00 0.00 0.00 51.96 52.35 3aay s ALA 19 Cb 0.39 -2.99 -0.14 0.00 0.00 0.00 0.00 23.12 20.38 3aay s ALA 19 CO -0.00 0.23 1.42 -2.30 0.00 0.00 0.00 175.76 175.11 3aay n PRO 20 N -0.16 1.84 -2.79 0.00 -0.02 -1.26 -2.45 135.00 130.15 3aay n PRO 20 Ca 0.04 0.66 -0.19 0.00 -2.02 0.00 0.00 63.50 61.98 3aay n PRO 20 Cb 0.53 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3aay n PRO 20 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3aay n LYS 21 N 2.52 -3.09 -5.21 -0.52 5.02 -1.26 -4.94 118.16 110.68 3aay n LYS 21 Ca 0.15 0.73 -0.32 0.00 -2.02 0.00 0.00 58.31 56.85 3aay n LYS 21 Cb 0.28 -5.44 -0.17 0.00 -0.02 0.00 0.00 35.03 29.68 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 2.04 -0.04 -0.18 1.01 -1.03 -0.03 120.40 119.26 3aay s VAL 22 Ca 0.17 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.16 3aay s VAL 22 Cb -0.08 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.54 3aay s VAL 22 CO 0.21 0.56 -0.11 0.54 0.00 0.00 0.00 175.10 176.30 3aay s VAL 23 N 0.29 0.96 -0.10 2.92 0.11 -0.11 -4.74 120.40 119.74 3aay s VAL 23 Ca -0.17 -0.43 -0.11 0.00 -2.93 0.00 0.00 61.98 58.34 3aay s VAL 23 Cb -0.17 -0.86 -0.05 0.00 -1.53 0.00 0.00 36.38 33.76 3aay s VAL 23 CO 0.08 0.30 0.25 -0.36 -3.33 0.00 0.00 175.10 172.05 3aay s PHE 24 N 0.35 3.60 -0.11 1.54 0.40 -1.26 -0.51 117.98 121.99 3aay s PHE 24 Ca -0.07 0.67 -0.03 0.00 -0.60 0.00 0.00 56.93 56.90 3aay s PHE 24 Cb -0.11 -2.15 0.04 0.00 0.51 0.00 0.00 43.02 41.31 3aay s PHE 24 CO 0.02 0.57 0.04 0.08 0.70 0.00 0.00 175.22 176.63 3aay s VAL 25 N -0.63 0.18 -0.17 -0.44 1.01 -0.27 -1.35 120.40 118.72 3aay s VAL 25 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 61.98 61.96 3aay s VAL 25 Cb -0.14 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.67 3aay s VAL 25 CO 0.06 0.03 0.56 -0.70 0.00 0.00 0.00 175.10 175.05 3aay s GLU 26 N 2.04 4.24 -0.12 2.72 2.12 0.39 -1.68 118.70 128.41 3aay s GLU 26 Ca 0.03 0.52 0.03 0.00 0.36 0.00 0.00 54.97 55.91 3aay s GLU 26 Cb -0.14 -3.54 0.01 0.00 0.26 0.00 0.00 34.13 30.72 3aay s GLU 26 CO -0.06 -0.11 -0.20 0.08 -0.54 0.00 0.00 175.26 174.43 3aay s VAL 27 N 1.49 1.88 0.32 3.70 1.01 -0.30 -1.54 120.40 126.95 3aay s VAL 27 Ca 0.27 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 3aay s VAL 27 Cb -0.16 -1.67 0.02 0.00 0.00 0.00 0.00 36.38 34.58 3aay s VAL 27 CO 0.11 0.52 0.59 -0.62 0.00 0.00 0.00 175.10 175.69 3aay s ASP 28 N 0.77 0.25 0.14 3.32 -1.08 -1.24 -3.84 116.67 114.99 3aay s ASP 28 Ca -0.09 -1.14 -0.23 0.00 -0.52 0.00 0.00 52.55 50.56 3aay s ASP 28 Cb -0.16 0.70 -0.02 0.00 -1.46 0.00 0.00 42.92 41.98 3aay s ASP 28 CO 0.00 -1.37 1.23 -1.84 0.52 0.00 0.00 175.17 173.72 3aay n GLU 29 N -0.49 -0.33 -2.76 4.34 -0.00 -1.26 -1.20 120.64 118.93 3aay n GLU 29 Ca -0.03 1.21 -0.07 0.00 -0.00 0.00 0.00 57.16 58.27 3aay n GLU 29 Cb 0.61 -1.78 -0.02 0.00 -0.00 0.00 0.00 31.44 30.24 3aay n GLU 29 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 3aay n ASP 30 N -5.02 0.38 -1.17 -1.84 5.68 -1.26 -3.68 116.55 109.63 3aay n ASP 30 Ca 0.03 -1.72 0.02 0.00 -0.50 0.00 0.00 54.79 52.62 3aay n ASP 30 Cb 0.22 0.45 0.25 0.00 -1.14 0.00 0.00 41.12 40.90 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 -0.25 2.49 -0.05 2.12 -2.24 -1.26 -4.59 114.28 110.49 3aay n THR 31 Ca 0.00 -2.09 -0.11 0.00 -2.27 0.00 0.00 64.05 59.58 3aay n THR 31 Cb 0.20 -0.30 -0.04 0.00 -2.10 0.00 0.00 70.33 68.09 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 1.69 0.27 -0.01 3.42 4.64 -1.97 0.24 113.55 121.83 3aay h SER 32 Ca 0.12 -0.15 0.02 0.00 -0.47 0.00 0.00 61.79 61.31 3aay h SER 32 Cb 1.68 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 63.67 3aay h SER 32 CO 0.37 0.34 -0.13 0.00 -0.87 0.00 0.00 176.83 176.54 3aay h ALA 33 N 0.94 -0.14 -0.82 5.18 0.00 -1.93 -2.36 119.26 120.13 3aay h ALA 33 Ca 0.07 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3aay h ALA 33 Cb 0.15 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3aay h ALA 33 CO -0.01 -0.62 0.54 -0.92 0.00 0.00 0.00 179.25 178.24 3aay h TYR 34 N -0.21 0.99 0.00 0.00 5.03 -1.65 -1.46 116.97 119.67 3aay h TYR 34 Ca 0.05 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.36 3aay h TYR 34 Cb 0.28 -0.33 -0.00 0.00 1.55 0.00 0.00 36.73 38.22 3aay h TYR 34 CO -0.19 0.58 -0.11 -0.44 -1.32 0.00 0.00 178.16 176.68 3aay h ASP 35 N 1.03 0.00 0.15 -2.11 3.32 -0.65 -3.17 116.42 114.98 3aay h ASP 35 Ca 0.32 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.36 3aay h ASP 35 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3aay h ASP 35 CO -0.09 0.11 -0.07 0.03 -1.72 0.00 0.00 179.24 177.50 3aay h ARG 36 N 0.00 -0.19 -2.95 3.56 3.08 -0.76 -3.49 114.38 113.62 3aay h ARG 36 Ca -0.00 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.11 3aay h ARG 36 Cb 0.64 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.66 3aay h ARG 36 CO 0.01 -0.10 0.24 0.16 -1.07 0.00 0.00 179.97 179.22 3aay s ASP 37 N -5.34 -0.35 0.24 7.04 1.47 -0.85 -4.44 116.67 114.44 3aay s ASP 37 Ca -0.04 -0.41 -0.14 0.00 1.18 0.00 0.00 52.55 53.14 3aay s ASP 37 Cb 0.00 0.67 0.00 0.00 -0.34 0.00 0.00 42.92 43.26 3aay s ASP 37 CO 0.11 -1.20 0.51 -1.38 0.68 0.00 0.00 175.17 173.89 3aay s HIS 38 N -3.82 0.23 0.28 2.11 -3.43 0.96 -4.11 115.29 107.52 3aay s HIS 38 Ca 0.08 -0.61 -0.30 0.00 -0.80 0.00 0.00 55.06 53.44 3aay s HIS 38 Cb -0.04 0.27 -0.11 0.00 -1.43 0.00 0.00 32.58 31.27 3aay s HIS 38 CO 0.01 -1.01 1.52 0.42 -2.00 0.00 0.00 174.74 173.68 3aay s ILE 39 N -3.99 2.33 -0.01 -5.38 1.01 -1.26 0.71 121.20 114.61 3aay s ILE 39 Ca 0.19 0.28 -0.36 0.00 0.00 0.00 0.00 60.65 60.76 3aay s ILE 39 Cb -0.01 -3.18 -0.14 0.00 0.01 0.00 0.00 42.46 39.13 3aay s ILE 39 CO 0.07 0.05 1.63 0.00 0.00 0.00 0.00 174.94 176.69 3aay n ALA 40 N 2.10 0.33 -0.44 9.38 0.00 -1.26 -1.02 120.51 129.59 3aay n ALA 40 Ca 0.07 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.92 3aay n ALA 40 Cb 0.39 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.54 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 3.60 1.66 3.78 0.00 0.00 -1.26 -4.94 105.19 108.03 3aay n GLY 41 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.26 2.77 0.44 4.61 0.00 -0.19 -4.69 121.76 121.43 3aay s ALA 42 Ca 0.00 0.75 0.07 0.00 0.00 0.00 0.00 51.96 52.78 3aay s ALA 42 Cb 0.00 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 3aay s ALA 42 CO 0.00 -0.59 0.34 0.96 0.00 0.00 0.00 175.76 176.47 3aay s ILE 43 N -1.84 2.42 0.05 0.00 -4.36 -0.46 -4.80 121.20 112.21 3aay s ILE 43 Ca 0.70 -1.44 0.09 0.00 -0.26 0.00 0.00 60.65 59.75 3aay s ILE 43 Cb -0.21 -2.86 -0.03 0.00 1.25 0.00 0.00 42.46 40.61 3aay s ILE 43 CO 0.24 0.00 -0.26 -1.59 0.24 0.00 0.00 174.94 173.57 3aay s LYS 44 N -4.11 1.80 -0.14 0.37 -2.85 -1.26 -0.46 119.74 113.09 3aay s LYS 44 Ca 0.45 -1.11 0.01 0.00 -1.00 0.00 0.00 55.97 54.32 3aay s LYS 44 Cb -0.01 -1.98 -0.00 0.00 -2.06 0.00 0.00 37.83 33.77 3aay s LYS 44 CO 0.26 0.51 -0.17 -0.51 0.10 0.00 0.00 175.35 175.54 3aay s LEU 45 N -1.25 2.41 -0.34 2.77 1.43 -0.59 -4.93 118.68 118.18 3aay s LEU 45 Ca 0.12 -0.47 -0.25 0.00 -1.03 0.00 0.00 54.13 52.50 3aay s LEU 45 Cb -0.10 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.60 3aay s LEU 45 CO 0.02 0.11 0.86 -0.62 0.23 0.00 0.00 176.35 176.96 3aay s ASP 46 N 0.63 6.68 0.43 2.29 -1.08 -1.26 -3.64 116.67 120.72 3aay s ASP 46 Ca -0.09 0.63 0.10 0.00 -0.52 0.00 0.00 52.55 52.66 3aay s ASP 46 Cb -0.16 -2.44 0.94 0.00 -1.46 0.00 0.00 42.92 39.80 3aay s ASP 46 CO 0.03 -0.74 2.05 -0.25 0.52 0.00 0.00 175.17 176.77 3aay h TRP 47 N 8.29 0.34 0.03 -5.34 7.01 -1.31 -0.77 115.95 124.19 3aay h TRP 47 Ca -0.24 -0.00 -0.07 0.00 2.11 0.00 0.00 58.89 60.69 3aay h TRP 47 Cb 1.09 -0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 28.03 3aay h TRP 47 CO 0.80 0.26 -0.34 0.00 -2.79 0.00 0.00 178.44 176.37 3aay h ARG 48 N 0.35 0.06 0.00 2.65 3.08 -1.79 -3.28 114.38 115.45 3aay h ARG 48 Ca 0.09 -0.10 -0.16 0.00 0.07 0.00 0.00 59.98 59.88 3aay h ARG 48 Cb 0.05 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 3aay h ARG 48 CO -0.01 1.05 -1.48 0.25 -1.07 0.00 0.00 179.97 178.71 3aay n THR 49 N -4.48 1.10 -0.06 2.04 -2.24 -1.19 -3.69 114.28 105.77 3aay n THR 49 Ca -0.14 -0.68 -0.13 0.00 -2.27 0.00 0.00 64.05 60.82 3aay n THR 49 Cb 0.58 -0.66 -0.14 0.00 -2.10 0.00 0.00 70.33 68.01 3aay n THR 49 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3aay n ASP 50 N -2.83 1.11 -0.06 3.42 8.00 -0.30 -4.64 116.55 121.24 3aay n ASP 50 Ca -0.10 0.16 0.06 0.00 0.71 0.00 0.00 54.79 55.61 3aay n ASP 50 Cb 0.83 -0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.86 3aay n ASP 50 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3aay n LEU 51 N -3.10 0.74 -4.78 0.64 4.77 -1.15 -4.86 117.00 109.25 3aay n LEU 51 Ca -0.30 -0.55 -0.33 0.00 -0.03 0.00 0.00 56.01 54.81 3aay n LEU 51 Cb 1.07 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 42.09 3aay n LEU 51 CO 0.41 0.17 -0.25 -1.10 -1.33 0.00 0.00 177.39 175.29 3aay s GLN 52 N -2.05 3.05 0.12 3.23 -1.52 -1.24 -1.92 119.66 119.34 3aay s GLN 52 Ca 0.06 -0.51 -0.31 0.00 -1.95 0.00 0.00 55.36 52.64 3aay s GLN 52 Cb 0.09 -2.85 -0.08 0.00 -0.22 0.00 0.00 33.01 29.96 3aay s GLN 52 CO 0.47 0.63 1.44 0.34 -0.25 0.00 0.00 175.29 177.93 3aay s ASP 53 N -1.85 6.76 0.07 5.90 -1.08 0.01 -4.65 116.67 121.83 3aay s ASP 53 Ca 0.24 2.39 0.24 0.00 -0.52 0.00 0.00 52.55 54.90 3aay s ASP 53 Cb -0.12 -2.59 0.96 0.00 -1.46 0.00 0.00 42.92 39.72 3aay s ASP 53 CO 0.15 -0.71 1.75 -0.81 0.52 0.00 0.00 175.17 176.07 3aay n PRO 54 N 4.12 0.07 0.01 4.34 -0.04 -1.26 -4.23 135.00 138.01 3aay n PRO 54 Ca 0.12 0.16 -0.02 0.00 -0.04 0.00 0.00 63.50 63.72 3aay n PRO 54 Cb 0.41 -1.59 -0.01 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.71 1.30 -1.99 0.52 0.31 -1.26 -5.06 118.33 110.44 3aay n VAL 55 Ca 0.05 0.34 -0.31 0.00 -0.01 0.00 0.00 64.34 64.41 3aay n VAL 55 Cb 0.29 -1.79 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 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 -2.23 3.67 -1.01 5.55 1.02 -1.26 -4.97 119.74 120.51 3aay s LYS 56 Ca -0.07 0.78 -0.22 0.00 0.02 0.00 0.00 55.97 56.47 3aay s LYS 56 Cb 0.01 -2.10 0.06 0.00 -0.52 0.00 0.00 37.83 35.28 3aay s LYS 56 CO 0.11 -0.50 1.41 0.50 -0.92 0.00 0.00 175.35 175.95 3aay s ARG 57 N -4.95 3.59 0.19 1.68 3.52 -1.26 -4.51 118.95 117.20 3aay s ARG 57 Ca 0.56 -1.20 -0.24 0.00 -0.13 0.00 0.00 55.73 54.72 3aay s ARG 57 Cb -0.11 -5.30 0.05 0.00 -1.56 0.00 0.00 34.95 28.04 3aay s ARG 57 CO 0.49 -2.15 0.91 0.34 -0.81 0.00 0.00 175.30 174.08 3aay s ASP 58 N 4.81 -0.19 0.68 -2.12 -1.08 -1.26 -5.06 116.67 112.45 3aay s ASP 58 Ca 0.44 -0.47 0.04 0.00 -0.52 0.00 0.00 52.55 52.05 3aay s ASP 58 Cb -0.01 0.55 0.13 0.00 -1.46 0.00 0.00 42.92 42.13 3aay s ASP 58 CO -0.10 -1.01 0.94 0.72 0.52 0.00 0.00 175.17 176.24 3aay s PHE 59 N -3.39 1.22 0.51 -5.34 -0.12 -1.26 -0.81 117.98 108.80 3aay s PHE 59 Ca 0.12 -0.56 -0.22 0.00 -0.05 0.00 0.00 56.93 56.22 3aay s PHE 59 Cb -0.02 -2.63 -0.06 0.00 -0.63 0.00 0.00 43.02 39.68 3aay s PHE 59 CO 0.04 -1.60 1.27 0.14 -0.05 0.00 0.00 175.22 175.01 3aay s VAL 60 N -2.98 2.54 0.93 -2.49 -7.23 -0.81 -4.32 120.40 106.04 3aay s VAL 60 Ca 0.66 0.40 -0.15 0.00 -1.81 0.00 0.00 61.98 61.08 3aay s VAL 60 Cb -0.04 -3.20 0.21 0.00 0.56 0.00 0.00 36.38 33.91 3aay s VAL 60 CO 0.43 -0.01 1.26 -0.90 -0.31 0.00 0.00 175.10 175.57 3aay n ASP 61 N -0.85 0.18 -0.30 4.85 5.68 -1.26 -4.73 116.55 120.12 3aay n ASP 61 Ca 0.09 -1.51 -0.03 0.00 -0.50 0.00 0.00 54.79 52.84 3aay n ASP 61 Cb 0.47 -0.96 0.12 0.00 -1.14 0.00 0.00 41.12 39.61 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 -1.71 1.21 -0.32 2.12 0.00 -1.96 -0.39 119.26 118.21 3aay h ALA 62 Ca -0.41 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.30 3aay h ALA 62 Cb 1.15 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3aay h ALA 62 CO 0.30 0.63 -0.07 0.37 0.00 0.00 0.00 179.25 180.48 3aay h GLN 63 N 1.19 0.61 -0.72 0.00 -0.00 -1.94 -0.01 115.11 114.24 3aay h GLN 63 Ca 0.30 -0.23 -0.06 0.00 -0.00 0.00 0.00 58.65 58.66 3aay h GLN 63 Cb 0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 27.48 27.45 3aay h GLN 63 CO -0.05 0.78 0.22 1.96 0.00 0.00 0.00 178.83 181.75 3aay h GLN 64 N 0.39 1.12 -0.51 1.69 4.20 -1.84 0.32 115.11 120.46 3aay h GLN 64 Ca 0.08 -0.24 -0.04 0.00 0.06 0.00 0.00 58.65 58.51 3aay h GLN 64 Cb 0.55 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 3aay h GLN 64 CO 0.03 0.96 0.17 0.35 -0.67 0.00 0.00 178.83 179.67 3aay h PHE 65 N 1.06 0.82 -0.56 2.96 3.57 -1.00 -0.14 116.94 123.65 3aay h PHE 65 Ca 0.23 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 3aay h PHE 65 Cb 0.31 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 3aay h PHE 65 CO 0.02 0.70 0.22 0.77 -2.23 0.00 0.00 178.31 177.79 3aay h SER 66 N 0.70 0.79 -0.70 0.41 0.02 -0.65 -1.58 113.55 112.53 3aay h SER 66 Ca 0.17 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 3aay h SER 66 Cb 0.26 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 3aay h SER 66 CO -0.01 0.75 0.29 0.50 -1.14 0.00 0.00 176.83 177.23 3aay h LYS 67 N 0.78 1.04 -0.17 3.45 3.64 -0.74 -0.80 116.57 123.77 3aay h LYS 67 Ca 0.19 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3aay h LYS 67 Cb 0.22 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3aay h LYS 67 CO -0.01 0.85 0.01 1.25 -2.27 0.00 0.00 179.45 179.28 3aay h LEU 68 N 1.00 0.29 -0.66 5.20 5.85 -0.72 -1.82 115.31 124.45 3aay h LEU 68 Ca 0.24 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 3aay h LEU 68 Cb 0.19 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3aay h LEU 68 CO -0.02 0.51 0.23 -0.07 -0.34 0.00 0.00 178.44 178.75 3aay h LEU 69 N 0.06 0.94 -0.40 2.25 4.07 -1.19 -1.66 115.31 119.39 3aay h LEU 69 Ca 0.05 -0.20 0.06 0.00 0.08 0.00 0.00 57.88 57.88 3aay h LEU 69 Cb 0.35 -0.25 -0.05 0.00 1.08 0.00 0.00 40.66 41.79 3aay h LEU 69 CO 0.01 0.89 0.09 0.28 -1.08 0.00 0.00 178.44 178.62 3aay h SER 70 N 0.95 0.03 -0.27 -0.43 0.02 -1.08 -0.78 113.55 111.99 3aay h SER 70 Ca 0.22 0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.18 3aay h SER 70 Cb 0.26 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 3aay h SER 70 CO -0.01 0.05 0.00 -0.33 -1.14 0.00 0.00 176.83 175.40 3aay h GLU 71 N 0.22 0.59 -0.00 3.45 5.08 -1.07 -0.89 114.58 121.96 3aay h GLU 71 Ca 0.19 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3aay h GLU 71 Cb 0.23 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3aay h GLU 71 CO -0.25 0.61 -0.24 0.54 -1.00 0.00 0.00 179.01 178.67 3aay n ARG 72 N -4.27 0.40 -1.92 2.33 5.12 -0.65 -4.70 116.66 112.98 3aay n ARG 72 Ca 0.02 -0.18 0.00 0.00 -1.93 0.00 0.00 57.85 55.76 3aay n ARG 72 Cb 0.25 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.06 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 1.39 0.68 3.64 -0.13 0.00 -0.42 -4.51 105.19 105.85 3aay n GLY 73 Ca 0.10 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.28 4.86 0.22 -0.61 1.01 -0.51 -4.78 121.20 119.11 3aay s ILE 74 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 60.65 60.69 3aay s ILE 74 Cb 0.00 -3.20 -0.03 0.00 0.01 0.00 0.00 42.46 39.24 3aay s ILE 74 CO 0.00 0.45 0.33 0.00 0.00 0.00 0.00 174.94 175.72 3aay s ALA 75 N 0.43 3.90 0.47 9.38 0.00 -1.26 -4.35 121.76 130.32 3aay s ALA 75 Ca 0.04 -1.21 0.12 0.00 0.00 0.00 0.00 51.96 50.91 3aay s ALA 75 Cb -0.12 -1.70 1.07 0.00 0.00 0.00 0.00 23.12 22.37 3aay s ALA 75 CO 0.00 0.30 2.09 -0.91 0.00 0.00 0.00 175.76 177.24 3aay h ASN 76 N 1.40 0.24 0.35 0.00 2.35 -1.95 -2.44 115.58 115.52 3aay h ASN 76 Ca -0.51 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.24 3aay h ASN 76 Cb 1.22 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.54 3aay h ASN 76 CO 0.62 0.17 -0.39 -0.62 -1.65 0.00 0.00 177.43 175.56 3aay n GLU 77 N -4.50 0.44 -2.03 0.81 -0.58 -1.26 -4.75 120.64 108.77 3aay n GLU 77 Ca 0.01 -0.26 -0.39 0.00 -0.42 0.00 0.00 57.16 56.09 3aay n GLU 77 Cb 0.12 -1.49 -0.00 0.00 -0.57 0.00 0.00 31.44 29.49 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 -2.74 6.27 -0.30 1.62 1.01 -0.92 -4.99 116.67 116.61 3aay s ASP 78 Ca 0.18 2.68 -0.25 0.00 0.71 0.00 0.00 52.55 55.87 3aay s ASP 78 Cb 0.18 -2.64 0.01 0.00 1.01 0.00 0.00 42.92 41.48 3aay s ASP 78 CO 0.61 -0.88 0.88 -0.89 0.21 0.00 0.00 175.17 175.10 3aay s THR 79 N -1.26 4.71 -0.22 -1.27 2.01 0.96 -4.61 115.64 115.97 3aay s THR 79 Ca 0.57 1.38 -0.14 0.00 0.31 0.00 0.00 61.69 63.81 3aay s THR 79 Cb -0.39 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 67.86 3aay s THR 79 CO 0.50 -0.30 0.34 -0.69 -0.69 0.00 0.00 174.62 173.77 3aay s VAL 80 N 3.15 5.23 -0.30 3.82 1.01 -0.38 -0.93 120.40 132.00 3aay s VAL 80 Ca 0.36 0.56 -0.05 0.00 0.00 0.00 0.00 61.98 62.85 3aay s VAL 80 Cb -0.14 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.60 3aay s VAL 80 CO 0.13 0.26 0.06 -0.63 0.00 0.00 0.00 175.10 174.91 3aay s ILE 81 N 1.39 3.63 -0.10 2.22 -1.09 0.33 -1.13 121.20 126.46 3aay s ILE 81 Ca 0.16 -0.96 -0.09 0.00 -2.23 0.00 0.00 60.65 57.52 3aay s ILE 81 Cb -0.15 -2.95 -0.04 0.00 -1.58 0.00 0.00 42.46 37.74 3aay s ILE 81 CO 0.08 -0.01 0.20 -0.76 -1.23 0.00 0.00 174.94 173.22 3aay s LEU 82 N 1.41 4.40 0.11 2.97 1.43 -0.24 -1.12 118.68 127.64 3aay s LEU 82 Ca -0.00 0.57 -0.17 0.00 -1.03 0.00 0.00 54.13 53.50 3aay s LEU 82 Cb -0.18 -2.19 0.04 0.00 0.03 0.00 0.00 46.19 43.89 3aay s LEU 82 CO 0.01 0.38 0.42 -0.72 0.23 0.00 0.00 176.35 176.66 3aay s TYR 83 N -0.95 -0.24 0.05 0.29 1.13 -0.68 -1.42 117.35 115.53 3aay s TYR 83 Ca 0.17 -0.00 -0.27 0.00 -1.41 0.00 0.00 57.07 55.56 3aay s TYR 83 Cb -0.13 0.27 0.09 0.00 -1.10 0.00 0.00 41.96 41.09 3aay s TYR 83 CO 0.06 -0.68 1.20 0.20 -2.51 0.00 0.00 175.55 173.82 3aay s GLY 84 N -2.61 -0.11 0.00 5.49 0.00 -1.26 -1.16 107.32 107.68 3aay s GLY 84 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.77 3aay s GLY 84 CO -0.10 3.60 0.00 0.61 0.00 0.00 0.00 173.10 177.21 3aay n GLY 85 N -0.76 0.86 4.02 0.20 0.00 -1.26 -1.82 105.19 106.43 3aay n GLY 85 Ca -0.01 -1.89 -0.31 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.52 -1.23 -2.33 1.61 3.02 -1.26 -2.69 115.26 111.85 3aay n ASN 86 Ca 0.00 -1.12 -0.15 0.00 -0.03 0.00 0.00 54.58 53.28 3aay n ASN 86 Cb 0.00 -2.54 -0.01 0.00 -0.61 0.00 0.00 39.78 36.62 3aay n ASN 86 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3aay n ASN 87 N -2.80 -4.57 -0.82 6.41 4.13 -1.26 -1.96 115.26 114.39 3aay n ASN 87 Ca -0.26 0.15 -0.11 0.00 1.68 0.00 0.00 54.58 56.04 3aay n ASN 87 Cb 0.66 -3.87 -0.05 0.00 -1.54 0.00 0.00 39.78 34.98 3aay n ASN 87 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3aay n ASN 88 N -1.77 -5.61 -0.09 6.41 5.15 -1.10 -4.85 115.26 113.41 3aay n ASN 88 Ca -0.18 0.26 -0.09 0.00 -0.60 0.00 0.00 54.58 53.97 3aay n ASN 88 Cb 0.63 -4.05 -0.02 0.00 -0.53 0.00 0.00 39.78 35.81 3aay n ASN 88 CO 0.00 0.00 0.00 -0.50 1.40 0.00 0.00 177.26 178.16 3aay h TRP 89 N 0.00 0.41 0.00 1.20 6.55 -1.58 -0.12 115.95 122.41 3aay h TRP 89 Ca -0.22 0.00 -0.18 0.00 0.95 0.00 0.00 58.89 59.44 3aay h TRP 89 Cb 1.14 -0.14 -0.03 0.00 -0.86 0.00 0.00 29.16 29.28 3aay h TRP 89 CO 0.58 0.30 -0.84 0.74 -1.05 0.00 0.00 178.44 178.16 3aay h PHE 90 N 0.41 0.00 -0.58 0.49 0.04 -1.81 -0.67 116.94 114.81 3aay h PHE 90 Ca 0.11 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.84 3aay h PHE 90 Cb 0.00 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 3aay h PHE 90 CO -0.04 0.84 0.18 0.00 -0.60 0.00 0.00 178.31 178.69 3aay h ALA 91 N 1.16 0.76 -0.32 2.45 0.00 -1.64 0.88 119.26 122.55 3aay h ALA 91 Ca -0.01 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 3aay h ALA 91 Cb 1.60 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 3aay h ALA 91 CO 0.11 0.43 -0.19 0.00 0.00 0.00 0.00 179.25 179.59 3aay h ALA 92 N 1.05 1.07 -0.27 0.00 0.00 -0.89 0.90 119.26 121.12 3aay h ALA 92 Ca 0.19 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3aay h ALA 92 Cb 0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3aay h ALA 92 CO -0.01 0.57 0.14 -0.92 0.00 0.00 0.00 179.25 179.03 3aay h TYR 93 N 0.53 0.39 -0.53 0.00 5.03 -0.78 -1.22 116.97 120.38 3aay h TYR 93 Ca 0.08 -0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.32 3aay h TYR 93 Cb 0.63 -0.12 -0.02 0.00 1.55 0.00 0.00 36.73 38.76 3aay h TYR 93 CO 0.02 0.35 0.08 0.00 -1.32 0.00 0.00 178.16 177.30 3aay h ALA 94 N 1.00 1.15 -0.38 1.82 0.00 -0.55 -1.17 119.26 121.13 3aay h ALA 94 Ca 0.09 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.81 3aay h ALA 94 Cb 0.10 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3aay h ALA 94 CO -0.01 0.56 0.16 -0.92 0.00 0.00 0.00 179.25 179.04 3aay h TYR 95 N 0.80 0.30 -0.71 0.00 5.03 -0.47 0.41 116.97 122.32 3aay h TYR 95 Ca 0.17 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.52 3aay h TYR 95 Cb 0.37 -0.08 -0.04 0.00 1.55 0.00 0.00 36.73 38.53 3aay h TYR 95 CO 0.02 0.14 0.45 2.35 -1.32 0.00 0.00 178.16 179.80 3aay h TRP 96 N 0.34 0.85 -0.29 -3.82 7.01 -0.86 -1.36 115.95 117.81 3aay h TRP 96 Ca 0.17 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.21 3aay h TRP 96 Cb 0.11 -0.28 -0.03 0.00 -2.10 0.00 0.00 29.16 26.86 3aay h TRP 96 CO -0.12 0.50 0.13 1.88 -2.79 0.00 0.00 178.44 178.03 3aay h TYR 97 N 0.89 0.23 -0.71 2.65 0.05 -0.45 0.15 116.97 119.78 3aay h TYR 97 Ca 0.28 0.01 0.09 0.00 0.05 0.00 0.00 58.73 59.16 3aay h TYR 97 Cb -0.02 -0.06 -0.07 0.00 1.01 0.00 0.00 36.73 37.59 3aay h TYR 97 CO -0.04 0.12 0.36 0.74 -1.05 0.00 0.00 178.16 178.30 3aay h PHE 98 N 0.27 0.65 -0.39 4.88 -1.00 -0.36 -1.33 116.94 119.66 3aay h PHE 98 Ca 0.12 0.03 -0.15 0.00 2.81 0.00 0.00 57.97 60.78 3aay h PHE 98 Cb 0.06 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.43 3aay h PHE 98 CO -0.11 0.25 -0.33 0.87 -1.61 0.00 0.00 178.31 177.38 3aay h LYS 99 N 0.62 0.89 -0.66 1.51 1.79 -0.94 -0.83 116.57 118.95 3aay h LYS 99 Ca 0.35 -0.43 0.10 0.00 -2.18 0.00 0.00 60.65 58.49 3aay h LYS 99 Cb 0.34 -0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.91 3aay h LYS 99 CO -0.26 1.08 0.26 1.25 -1.08 0.00 0.00 179.45 180.71 3aay h LEU 100 N 0.75 0.27 -2.27 2.94 5.85 -0.27 -1.45 115.31 121.12 3aay h LEU 100 Ca 0.07 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3aay h LEU 100 Cb 0.90 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.98 3aay h LEU 100 CO 0.08 0.15 0.00 -1.22 -0.34 0.00 0.00 178.44 177.11 3aay n TYR 101 N -4.98 1.06 -0.81 1.25 4.01 -0.57 -0.50 117.16 116.63 3aay n TYR 101 Ca 0.10 -0.38 0.00 0.00 -0.16 0.00 0.00 57.90 57.46 3aay n TYR 101 Cb 0.30 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 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 0.52 0.53 3.70 2.72 0.00 -0.55 -1.76 105.19 110.35 3aay n GLY 102 Ca 0.15 -0.59 -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 3.43 -0.11 1.61 2.46 -0.36 -4.89 115.29 115.43 3aay s HIS 103 Ca 0.00 1.42 -0.05 0.00 0.47 0.00 0.00 55.06 56.90 3aay s HIS 103 Cb 0.00 -3.31 -0.05 0.00 -0.13 0.00 0.00 32.58 29.10 3aay s HIS 103 CO 0.00 -0.80 0.14 1.49 -2.47 0.00 0.00 174.74 173.10 3aay h GLU 104 N 7.06 -0.01 -4.77 2.88 4.81 -1.89 -3.42 114.58 119.25 3aay h GLU 104 Ca -0.37 0.00 -0.70 0.00 -0.13 0.00 0.00 59.36 58.16 3aay h GLU 104 Cb 1.19 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.38 3aay h GLU 104 CO 0.83 0.17 0.39 0.15 -0.73 0.00 0.00 179.01 179.82 3aay s LYS 105 N -1.69 3.30 -0.14 1.92 1.02 -1.26 -4.98 119.74 117.92 3aay s LYS 105 Ca -0.03 -1.56 -0.14 0.00 0.02 0.00 0.00 55.97 54.26 3aay s LYS 105 Cb -0.01 -4.48 0.04 0.00 -0.52 0.00 0.00 37.83 32.86 3aay s LYS 105 CO 0.12 -1.62 0.40 0.54 -0.92 0.00 0.00 175.35 173.87 3aay s VAL 106 N 2.51 0.01 0.05 3.17 0.11 -1.26 -1.25 120.40 123.73 3aay s VAL 106 Ca 0.20 -0.04 -0.07 0.00 -2.93 0.00 0.00 61.98 59.14 3aay s VAL 106 Cb -0.15 -0.57 -0.00 0.00 -1.53 0.00 0.00 36.38 34.12 3aay s VAL 106 CO -0.00 -0.02 0.15 -0.54 -3.33 0.00 0.00 175.10 171.35 3aay s LYS 107 N 0.05 0.68 0.09 1.54 1.02 -0.28 -4.71 119.74 118.13 3aay s LYS 107 Ca -0.01 -0.77 -0.14 0.00 0.02 0.00 0.00 55.97 55.06 3aay s LYS 107 Cb -0.03 0.27 -0.06 0.00 -0.52 0.00 0.00 37.83 37.49 3aay s LYS 107 CO 0.01 -0.19 0.48 -0.51 -0.92 0.00 0.00 175.35 174.22 3aay s LEU 108 N -2.31 4.39 -0.38 3.17 1.43 -0.31 -1.08 118.68 123.59 3aay s LEU 108 Ca -0.02 1.00 -0.29 0.00 -1.03 0.00 0.00 54.13 53.79 3aay s LEU 108 Cb 0.01 -3.00 0.01 0.00 0.03 0.00 0.00 46.19 43.24 3aay s LEU 108 CO -0.06 0.19 1.29 -0.22 0.23 0.00 0.00 176.35 177.78 3aay s LEU 109 N -1.66 3.72 -0.05 1.79 2.96 -0.51 -1.27 118.68 123.66 3aay s LEU 109 Ca 0.32 0.89 -0.29 0.00 -0.22 0.00 0.00 54.13 54.83 3aay s LEU 109 Cb -0.16 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.92 3aay s LEU 109 CO 0.18 -1.24 1.98 -0.62 -1.32 0.00 0.00 176.35 175.33 3aay s ASP 110 N 3.07 6.21 0.00 3.68 2.15 -0.13 -0.42 116.67 131.23 3aay s ASP 110 Ca 0.56 2.36 0.00 0.00 0.43 0.00 0.00 52.55 55.90 3aay s ASP 110 Cb -0.13 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 3aay s ASP 110 CO 0.28 -1.29 0.00 0.61 -0.17 0.00 0.00 175.17 174.60 3aay n GLY 111 N 4.83 1.32 7.00 2.66 0.00 -1.24 -4.57 105.19 115.19 3aay n GLY 111 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 1.33 0.34 -0.02 0.00 0.44 -1.96 105.19 103.32 3aay n GLY 112 Ca 0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 46.02 45.42 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 1.17 -0.26 1.61 2.43 -1.69 -2.56 114.38 115.08 3aay h ARG 113 Ca 0.00 -0.18 0.05 0.00 -0.81 0.00 0.00 59.98 59.04 3aay h ARG 113 Cb 0.00 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 29.30 3aay h ARG 113 CO 0.00 0.91 -0.01 -0.22 -1.51 0.00 0.00 179.97 179.14 3aay h LYS 114 N 1.15 0.07 -0.58 0.20 3.64 -1.75 0.47 116.57 119.77 3aay h LYS 114 Ca 0.28 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.57 3aay h LYS 114 Cb 0.13 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 3aay h LYS 114 CO -0.03 0.05 0.02 -0.22 -2.27 0.00 0.00 179.45 177.00 3aay h LYS 115 N 0.07 1.01 -0.35 1.90 1.63 -1.30 -0.21 116.57 119.32 3aay h LYS 115 Ca 0.12 -0.31 -0.01 0.00 -0.85 0.00 0.00 60.65 59.61 3aay h LYS 115 Cb 0.17 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.68 3aay h LYS 115 CO -0.22 0.99 0.19 2.35 -3.45 0.00 0.00 179.45 179.32 3aay h TRP 116 N 0.90 0.48 -0.27 1.91 2.91 -1.06 0.25 115.95 121.07 3aay h TRP 116 Ca 0.17 -0.01 -0.08 0.00 1.13 0.00 0.00 58.89 60.10 3aay h TRP 116 Cb 0.52 -0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 29.01 3aay h TRP 116 CO 0.04 0.38 -0.13 0.93 -1.03 0.00 0.00 178.44 178.63 3aay h GLU 117 N 0.44 0.57 -0.77 2.65 5.08 -0.82 -2.47 114.58 119.26 3aay h GLU 117 Ca 0.12 -0.25 0.10 0.00 -1.00 0.00 0.00 59.36 58.33 3aay h GLU 117 Cb 0.06 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 3aay h GLU 117 CO -0.02 0.81 0.50 1.25 -1.00 0.00 0.00 179.01 180.55 3aay h LEU 118 N 0.31 0.61 -0.01 1.33 5.85 -0.84 0.11 115.31 122.67 3aay h LEU 118 Ca 0.06 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3aay h LEU 118 Cb 0.64 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3aay h LEU 118 CO 0.04 0.36 0.00 0.47 -0.34 0.00 0.00 178.44 178.97 3aay n ASP 119 N -4.50 0.02 -0.47 1.25 8.00 0.06 -4.89 116.55 116.02 3aay n ASP 119 Ca 0.13 0.50 -0.06 0.00 0.71 0.00 0.00 54.79 56.07 3aay n ASP 119 Cb 0.34 -0.51 -0.03 0.00 -0.02 0.00 0.00 41.12 40.90 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 0.54 0.85 3.78 0.44 0.00 0.38 -5.00 105.19 106.18 3aay n GLY 120 Ca 0.05 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.39 4.08 0.51 1.61 0.52 -0.96 -4.96 118.95 117.37 3aay s ARG 121 Ca 0.00 1.59 -0.22 0.00 -0.52 0.00 0.00 55.73 56.58 3aay s ARG 121 Cb 0.00 -2.53 -0.07 0.00 0.52 0.00 0.00 34.95 32.87 3aay s ARG 121 CO 0.00 -0.23 1.27 -0.35 0.02 0.00 0.00 175.30 176.01 3aay n PRO 122 N -0.13 1.65 -4.33 3.54 -0.04 -1.26 -4.78 135.00 129.65 3aay n PRO 122 Ca 0.05 0.60 -0.18 0.00 -0.04 0.00 0.00 63.50 63.93 3aay n PRO 122 Cb 0.49 -2.45 -0.10 0.00 -0.04 0.00 0.00 33.50 31.40 3aay n PRO 122 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3aay s LEU 123 N -2.61 2.54 0.05 1.53 1.43 -1.26 -4.72 118.68 115.64 3aay s LEU 123 Ca 0.69 -1.00 0.05 0.00 -1.03 0.00 0.00 54.13 52.84 3aay s LEU 123 Cb -0.45 -0.65 -0.02 0.00 0.03 0.00 0.00 46.19 45.10 3aay s LEU 123 CO 0.52 -0.17 -0.15 -0.55 0.23 0.00 0.00 176.35 176.22 3aay s SER 124 N -3.24 1.83 0.00 2.29 0.15 0.22 -4.83 113.70 110.13 3aay s SER 124 Ca 0.21 -0.50 0.18 0.00 0.70 0.00 0.00 55.95 56.54 3aay s SER 124 Cb -0.01 -0.12 0.37 0.00 -1.71 0.00 0.00 66.02 64.55 3aay s SER 124 CO 0.06 0.04 1.29 -1.54 1.20 0.00 0.00 173.24 174.30 3aay n SER 125 N 1.78 3.16 -4.78 5.45 3.41 -1.26 -0.02 113.62 121.35 3aay n SER 125 Ca -0.18 -1.91 -0.41 0.00 -0.26 0.00 0.00 58.87 56.11 3aay n SER 125 Cb 0.54 -0.24 -0.01 0.00 -0.26 0.00 0.00 64.21 64.25 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 -1.21 6.46 0.68 4.04 1.01 -1.26 -4.98 116.67 121.41 3aay s ASP 126 Ca 0.32 2.95 -0.15 0.00 0.71 0.00 0.00 52.55 56.38 3aay s ASP 126 Cb 0.18 -2.66 0.01 0.00 1.01 0.00 0.00 42.92 41.46 3aay s ASP 126 CO 0.25 -0.78 1.14 -2.84 0.21 0.00 0.00 175.17 173.15 3aay s PRO 127 N -2.02 2.60 -0.04 8.23 0.02 -1.26 -4.95 135.00 137.59 3aay s PRO 127 Ca 0.52 1.50 0.03 0.00 0.02 0.00 0.00 61.00 63.07 3aay s PRO 127 Cb -0.45 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.16 3aay s PRO 127 CO 0.60 -1.42 -0.11 0.08 -0.33 0.00 0.00 177.00 175.81 3aay s VAL 128 N -2.23 1.00 -0.02 3.83 1.01 -1.26 -5.03 120.40 117.70 3aay s VAL 128 Ca 0.69 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 62.21 3aay s VAL 128 Cb -0.23 -0.89 0.03 0.00 0.00 0.00 0.00 36.38 35.29 3aay s VAL 128 CO 0.42 0.31 0.03 -0.55 0.00 0.00 0.00 175.10 175.31 3aay s SER 129 N 0.27 0.28 0.01 3.32 0.15 -1.26 -5.01 113.70 111.47 3aay s SER 129 Ca -0.06 0.03 -0.01 0.00 0.70 0.00 0.00 55.95 56.61 3aay s SER 129 Cb -0.11 -0.11 -0.04 0.00 -1.71 0.00 0.00 66.02 64.05 3aay s SER 129 CO 0.01 -0.14 0.15 -0.13 1.20 0.00 0.00 173.24 174.33 3aay s ARG 130 N 1.20 3.27 0.37 5.44 0.52 -1.26 -5.08 118.95 123.41 3aay s ARG 130 Ca -0.07 -0.43 -0.28 0.00 -0.52 0.00 0.00 55.73 54.43 3aay s ARG 130 Cb -0.13 -2.98 -0.11 0.00 0.52 0.00 0.00 34.95 32.25 3aay s ARG 130 CO -0.03 0.64 1.41 -2.30 0.02 0.00 0.00 175.30 175.05 3aay n PRO 131 N 0.85 2.44 -1.43 3.54 -0.02 -1.26 -4.56 135.00 134.56 3aay n PRO 131 Ca -0.10 0.86 -0.34 0.00 -2.02 0.00 0.00 63.50 61.90 3aay n PRO 131 Cb 0.52 -2.54 0.09 0.00 -0.02 0.00 0.00 33.50 31.55 3aay n PRO 131 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3aay s VAL 132 N -1.12 2.53 0.47 -1.45 -7.23 -1.26 -4.21 120.40 108.12 3aay s VAL 132 Ca 0.55 0.24 0.02 0.00 -1.81 0.00 0.00 61.98 60.98 3aay s VAL 132 Cb -0.51 -2.75 -0.02 0.00 0.56 0.00 0.00 36.38 33.66 3aay s VAL 132 CO 0.63 -0.15 0.05 0.42 -0.31 0.00 0.00 175.10 175.74 3aay s THR 133 N -2.15 0.98 -0.56 5.32 -4.23 -0.36 -4.89 115.64 109.75 3aay s THR 133 Ca 0.72 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.19 3aay s THR 133 Cb -0.26 -2.26 0.15 0.00 1.34 0.00 0.00 72.50 71.47 3aay s THR 133 CO 0.46 0.00 0.37 -0.55 -0.54 0.00 0.00 174.62 174.36 3aay s SER 134 N -3.77 5.30 -0.08 3.99 0.15 -1.26 -4.46 113.70 113.57 3aay s SER 134 Ca 0.13 -2.55 -0.18 0.00 0.70 0.00 0.00 55.95 54.04 3aay s SER 134 Cb 0.02 -1.86 -0.05 0.00 -1.71 0.00 0.00 66.02 62.42 3aay s SER 134 CO 0.08 -0.44 0.49 -0.47 1.20 0.00 0.00 173.24 174.10 3aay s TYR 135 N 0.38 3.57 -0.22 3.44 6.14 -1.26 -4.71 117.35 124.69 3aay s TYR 135 Ca 0.14 0.97 0.01 0.00 0.64 0.00 0.00 57.07 58.82 3aay s TYR 135 Cb -0.21 -2.53 0.05 0.00 0.42 0.00 0.00 41.96 39.69 3aay s TYR 135 CO -0.04 0.26 -0.06 0.99 0.64 0.00 0.00 175.55 177.34 3aay s THR 136 N 0.27 1.48 0.63 4.34 2.01 -1.26 -4.65 115.64 118.46 3aay s THR 136 Ca 0.27 -1.09 -0.12 0.00 0.31 0.00 0.00 61.69 61.06 3aay s THR 136 Cb -0.16 -1.70 -0.03 0.00 0.01 0.00 0.00 72.50 70.62 3aay s THR 136 CO 0.12 -0.02 1.03 0.00 -0.69 0.00 0.00 174.62 175.06 3aay s ALA 137 N 1.44 2.96 0.60 7.40 0.00 -1.26 -5.00 121.76 127.89 3aay s ALA 137 Ca -0.04 0.02 -0.07 0.00 0.00 0.00 0.00 51.96 51.87 3aay s ALA 137 Cb -0.18 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 19.82 3aay s ALA 137 CO -0.07 -0.79 0.92 -1.12 0.00 0.00 0.00 175.76 174.71 3aay s SER 138 N -3.86 5.70 0.63 0.00 0.01 -0.72 -5.00 113.70 110.45 3aay s SER 138 Ca 0.57 0.86 -0.18 0.00 1.31 0.00 0.00 55.95 58.50 3aay s SER 138 Cb -0.12 -1.87 -0.02 0.00 0.21 0.00 0.00 66.02 64.23 3aay s SER 138 CO 0.51 -1.03 1.23 -2.16 0.41 0.00 0.00 173.24 172.20 3aay s PRO 139 N -5.03 2.74 0.28 12.44 0.04 -1.26 -4.67 135.00 139.54 3aay s PRO 139 Ca 0.54 1.88 -0.30 0.00 0.04 0.00 0.00 61.00 63.15 3aay s PRO 139 Cb -0.11 -1.89 -0.13 0.00 0.04 0.00 0.00 34.50 32.41 3aay s PRO 139 CO 0.47 -1.40 1.30 -0.35 0.04 0.00 0.00 177.00 177.06 3aay n PRO 140 N -1.84 1.93 -2.89 0.56 -0.04 -1.26 -4.77 135.00 126.69 3aay n PRO 140 Ca 0.14 0.68 -0.44 0.00 -0.04 0.00 0.00 63.50 63.85 3aay n PRO 140 Cb 0.49 -2.27 -0.03 0.00 -0.04 0.00 0.00 33.50 31.66 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 -0.04 6.59 0.00 3.54 2.15 0.35 -4.88 116.67 124.38 3aay s ASP 141 Ca 0.63 -1.94 0.16 0.00 0.43 0.00 0.00 52.55 51.82 3aay s ASP 141 Cb -0.64 -2.41 0.93 0.00 -0.30 0.00 0.00 42.92 40.50 3aay s ASP 141 CO 0.55 -1.12 1.48 0.59 -0.17 0.00 0.00 175.17 176.51 3aay n ASN 142 N 6.79 0.00 0.13 -0.34 5.03 -1.26 -2.25 115.26 123.35 3aay n ASN 142 Ca 0.23 -1.19 0.11 0.00 0.87 0.00 0.00 54.58 54.60 3aay n ASN 142 Cb 0.49 0.00 0.49 0.00 -1.02 0.00 0.00 39.78 39.74 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 -0.79 0.91 -0.17 3.41 -2.24 -1.26 -2.54 114.28 111.60 3aay n THR 143 Ca 0.12 0.34 0.07 0.00 -2.27 0.00 0.00 64.05 62.31 3aay n THR 143 Cb 0.05 -1.28 0.17 0.00 -2.10 0.00 0.00 70.33 67.18 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 -2.18 0.95 -4.74 2.28 -5.35 -0.96 -4.53 119.36 104.83 3aay n ILE 144 Ca 0.01 -0.97 -0.24 0.00 -0.27 0.00 0.00 62.75 61.28 3aay n ILE 144 Cb 0.18 0.54 -0.15 0.00 -1.74 0.00 0.00 39.64 38.47 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 -1.00 1.30 -0.04 6.28 3.52 -1.05 -1.09 118.95 126.86 3aay s ARG 145 Ca 0.27 -0.56 0.05 0.00 -0.13 0.00 0.00 55.73 55.35 3aay s ARG 145 Cb 0.14 -1.25 -0.03 0.00 -1.56 0.00 0.00 34.95 32.26 3aay s ARG 145 CO 0.18 0.33 -0.16 0.00 -0.81 0.00 0.00 175.30 174.84 3aay s ALA 146 N -0.34 2.58 0.35 6.12 0.00 -0.30 -4.80 121.76 125.37 3aay s ALA 146 Ca 0.05 -1.02 0.08 0.00 0.00 0.00 0.00 51.96 51.08 3aay s ALA 146 Cb -0.06 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 3aay s ALA 146 CO -0.00 0.55 0.21 -0.06 0.00 0.00 0.00 175.76 176.46 3aay s PHE 147 N -0.73 2.75 0.22 0.00 0.08 -1.26 -4.04 117.98 115.00 3aay s PHE 147 Ca 0.11 -0.39 -0.08 0.00 0.12 0.00 0.00 56.93 56.70 3aay s PHE 147 Cb -0.10 -1.76 0.32 0.00 -0.57 0.00 0.00 43.02 40.91 3aay s PHE 147 CO 0.01 0.24 1.75 0.07 -0.10 0.00 0.00 175.22 177.18 3aay h ARG 148 N 1.41 0.43 -0.48 0.44 0.11 -2.00 -1.67 114.38 112.61 3aay h ARG 148 Ca -0.44 -0.03 -0.06 0.00 0.10 0.00 0.00 59.98 59.56 3aay h ARG 148 Cb 1.25 -0.10 -0.02 0.00 1.11 0.00 0.00 29.97 32.22 3aay h ARG 148 CO 0.62 0.28 0.05 -0.44 0.10 0.00 0.00 179.97 180.58 3aay h ASP 149 N 0.44 0.71 0.64 0.08 3.32 -2.00 -1.51 116.42 118.10 3aay h ASP 149 Ca 0.33 -0.15 -0.15 0.00 0.02 0.00 0.00 57.03 57.09 3aay h ASP 149 Cb 0.43 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3aay h ASP 149 CO -0.32 0.75 -0.70 1.05 -1.72 0.00 0.00 179.24 178.30 3aay h GLU 150 N 0.72 0.05 -0.24 3.56 4.11 -1.74 -2.19 114.58 118.84 3aay h GLU 150 Ca 0.15 -0.04 -0.02 0.00 0.07 0.00 0.00 59.36 59.52 3aay h GLU 150 Cb 0.36 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3aay h GLU 150 CO 0.01 0.72 0.07 0.28 0.07 0.00 0.00 179.01 180.16 3aay h VAL 151 N 0.03 1.20 -0.82 -1.06 2.07 -1.02 -0.29 116.25 116.36 3aay h VAL 151 Ca -0.01 -0.65 0.03 0.00 0.82 0.00 0.00 66.70 66.88 3aay h VAL 151 Cb 1.24 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 32.13 3aay h VAL 151 CO 0.09 0.21 0.53 -0.07 0.02 0.00 0.00 177.57 178.36 3aay h LEU 152 N 0.22 0.89 -0.64 2.57 3.38 -1.25 -1.92 115.31 118.56 3aay h LEU 152 Ca 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3aay h LEU 152 Cb 0.26 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3aay h LEU 152 CO -0.00 0.62 0.00 0.00 0.09 0.00 0.00 178.44 179.15 3aay n ALA 153 N -2.33 1.70 1.24 1.53 0.00 -0.83 -2.97 120.51 118.84 3aay n ALA 153 Ca 0.10 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.74 3aay n ALA 153 Cb 0.07 -1.39 0.42 0.00 0.00 0.00 0.00 19.45 18.55 3aay n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3aay n ALA 154 N -1.77 3.05 -1.81 0.00 0.00 -0.14 -4.73 120.51 115.11 3aay n ALA 154 Ca 0.02 -0.35 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 3aay n ALA 154 Cb 0.24 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.47 3aay n ALA 154 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3aay s ILE 155 N -2.59 2.33 0.00 0.00 1.01 -1.16 -0.55 121.20 120.25 3aay s ILE 155 Ca 0.23 0.19 0.00 0.00 0.00 0.00 0.00 60.65 61.07 3aay s ILE 155 Cb 0.19 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.54 3aay s ILE 155 CO 0.54 0.01 0.00 0.59 0.00 0.00 0.00 174.94 176.08 3aay n ASN 156 N 4.25 -4.98 -0.01 3.58 3.02 -1.26 -4.76 115.26 115.09 3aay n ASN 156 Ca 0.15 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.69 3aay n ASN 156 Cb 0.37 -2.68 -0.01 0.00 -0.61 0.00 0.00 39.78 36.84 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 -2.25 0.13 -4.41 2.41 0.31 0.29 -5.06 118.33 109.75 3aay n VAL 157 Ca 0.00 -0.05 -0.24 0.00 -0.01 0.00 0.00 64.34 64.04 3aay n VAL 157 Cb 0.35 -0.61 -0.10 0.00 -0.91 0.00 0.00 33.84 32.58 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 -2.05 1.82 0.21 5.55 1.02 -0.57 -4.62 119.74 121.11 3aay s LYS 158 Ca -0.03 -1.63 -0.31 0.00 0.02 0.00 0.00 55.97 54.03 3aay s LYS 158 Cb 0.01 -1.89 -0.10 0.00 -0.52 0.00 0.00 37.83 35.33 3aay s LYS 158 CO 0.05 0.35 1.51 -0.80 -0.92 0.00 0.00 175.35 175.55 3aay s ASN 159 N -3.39 6.60 -0.25 2.83 -0.87 0.29 -4.85 114.94 115.30 3aay s ASN 159 Ca 0.29 2.66 0.03 0.00 -1.57 0.00 0.00 52.86 54.27 3aay s ASN 159 Cb -0.06 -2.61 0.05 0.00 -0.02 0.00 0.00 41.25 38.61 3aay s ASN 159 CO 0.15 -0.77 -0.12 -0.76 -2.57 0.00 0.00 177.10 173.03 3aay s LEU 160 N 0.30 3.25 -0.39 0.60 1.43 -1.26 -0.74 118.68 121.87 3aay s LEU 160 Ca 0.64 -1.30 -0.14 0.00 -1.03 0.00 0.00 54.13 52.31 3aay s LEU 160 Cb -0.43 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.27 3aay s LEU 160 CO 0.38 -0.17 0.28 -0.63 0.23 0.00 0.00 176.35 176.45 3aay s ILE 161 N 1.13 5.22 -0.36 -0.59 -1.09 -0.01 -0.86 121.20 124.65 3aay s ILE 161 Ca -0.07 -0.58 -0.18 0.00 -2.23 0.00 0.00 60.65 57.59 3aay s ILE 161 Cb -0.19 -3.86 -0.00 0.00 -1.58 0.00 0.00 42.46 36.83 3aay s ILE 161 CO -0.06 -0.24 0.50 -0.62 -1.23 0.00 0.00 174.94 173.29 3aay s ASP 162 N 1.68 6.30 -0.02 3.58 -1.08 0.40 -1.05 116.67 126.47 3aay s ASP 162 Ca 0.05 -0.09 0.20 0.00 -0.52 0.00 0.00 52.55 52.19 3aay s ASP 162 Cb -0.19 -2.26 0.60 0.00 -1.46 0.00 0.00 42.92 39.62 3aay s ASP 162 CO 0.10 -0.48 1.51 1.33 0.52 0.00 0.00 175.17 178.15 3aay n VAL 163 N 5.42 1.18 -1.31 1.11 0.24 -0.60 -1.54 118.33 122.83 3aay n VAL 163 Ca -0.05 -1.05 -0.30 0.00 -2.04 0.00 0.00 64.34 60.89 3aay n VAL 163 Cb 0.49 0.42 0.24 0.00 -1.47 0.00 0.00 33.84 33.52 3aay n VAL 163 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3aay s ARG 164 N -1.19 -1.02 0.63 7.34 0.52 -1.26 -1.70 118.95 122.27 3aay s ARG 164 Ca 0.45 -0.28 -0.14 0.00 -0.52 0.00 0.00 55.73 55.24 3aay s ARG 164 Cb 0.25 -1.64 -0.02 0.00 0.52 0.00 0.00 34.95 34.06 3aay s ARG 164 CO 0.28 -3.54 1.06 -1.54 0.02 0.00 0.00 175.30 171.59 3aay s SER 165 N -4.26 5.57 0.43 0.23 1.04 -1.26 -4.04 113.70 111.41 3aay s SER 165 Ca 0.73 1.79 0.13 0.00 0.48 0.00 0.00 55.95 59.09 3aay s SER 165 Cb -0.06 -2.53 1.02 0.00 0.10 0.00 0.00 66.02 64.55 3aay s SER 165 CO 0.55 -1.32 1.99 -0.65 0.98 0.00 0.00 173.24 174.80 3aay h PRO 166 N 0.07 0.40 -0.08 4.02 0.11 -1.98 -0.89 132.00 133.65 3aay h PRO 166 Ca -0.46 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 3aay h PRO 166 Cb 1.22 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3aay h PRO 166 CO 0.57 0.27 -0.58 -0.44 -0.21 0.00 0.00 178.00 177.60 3aay h ASP 167 N 0.41 0.29 -0.32 -2.05 3.32 -1.96 -1.06 116.42 115.06 3aay h ASP 167 Ca 0.26 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 57.05 3aay h ASP 167 Cb 0.48 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 3aay h ASP 167 CO -0.07 0.81 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.75 3aay h GLU 168 N 0.19 0.68 -0.79 3.56 5.08 -1.57 -1.77 114.58 119.96 3aay h GLU 168 Ca -0.00 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.05 3aay h GLU 168 Cb 1.08 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.27 3aay h GLU 168 CO 0.09 0.90 0.49 0.35 -1.00 0.00 0.00 179.01 179.84 3aay h PHE 169 N 0.44 1.04 0.00 4.33 3.57 -0.84 -2.18 116.94 123.30 3aay h PHE 169 Ca 0.07 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3aay h PHE 169 Cb 0.71 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.11 3aay h PHE 169 CO 0.06 0.69 0.00 0.66 -2.23 0.00 0.00 178.31 177.49 3aay h SER 170 N 1.09 0.00 0.00 0.41 4.64 -1.26 -3.29 113.55 115.14 3aay h SER 170 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3aay h SER 170 Cb -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3aay h SER 170 CO -0.06 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.51 3aay n GLY 171 N 0.82 0.80 0.30 -0.77 0.00 -0.82 0.11 105.19 105.64 3aay n GLY 171 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.11 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 3.16 0.39 -4.99 1.61 3.64 -1.58 -3.43 116.57 115.38 3aay h LYS 172 Ca 0.00 -0.02 -0.39 0.00 -1.27 0.00 0.00 60.65 58.97 3aay h LYS 172 Cb 0.00 -0.09 -0.25 0.00 -0.41 0.00 0.00 32.23 31.48 3aay h LYS 172 CO 0.00 0.26 -0.77 0.96 -2.27 0.00 0.00 179.45 177.63 3aay s ILE 173 N -5.38 0.87 -0.03 2.00 -4.36 -1.04 -5.03 121.20 108.24 3aay s ILE 173 Ca -0.07 -0.88 -0.25 0.00 -0.26 0.00 0.00 60.65 59.19 3aay s ILE 173 Cb 0.18 -0.81 -0.19 0.00 1.25 0.00 0.00 42.46 42.88 3aay s ILE 173 CO 0.72 -0.05 1.17 0.25 0.24 0.00 0.00 174.94 177.27 3aay h LEU 174 N 5.04 -0.07 0.00 0.37 7.12 -1.90 -3.40 115.31 122.47 3aay h LEU 174 Ca -0.36 -0.45 0.00 0.00 0.13 0.00 0.00 57.88 57.20 3aay h LEU 174 Cb 1.19 0.02 0.00 0.00 -0.53 0.00 0.00 40.66 41.33 3aay h LEU 174 CO 0.44 0.44 0.00 0.00 -0.13 0.00 0.00 178.44 179.19 3aay n ALA 175 N -2.41 0.00 0.00 1.25 0.00 -1.26 -4.85 120.51 113.24 3aay n ALA 175 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3aay n ALA 175 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 3aay n ALA 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3aay n GLN 181 N 0.00 0.00 -2.28 0.00 10.64 -1.26 -5.05 117.38 119.43 3aay n GLN 181 Ca 0.00 0.00 -0.38 0.00 -1.83 0.00 0.00 57.00 54.79 3aay n GLN 181 Cb 0.00 0.00 0.02 0.00 -0.86 0.00 0.00 30.24 29.40 3aay n GLN 181 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 3aay n GLU 182 N 0.00 3.68 -3.27 2.61 1.02 -1.26 -5.00 120.64 118.42 3aay n GLU 182 Ca 0.00 -4.09 -0.18 0.00 -0.02 0.00 0.00 57.16 52.87 3aay n GLU 182 Cb 0.00 -2.32 0.00 0.00 -0.02 0.00 0.00 31.44 29.10 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 -4.04 2.96 0.25 3.49 -1.52 -1.26 -4.82 119.66 114.72 3aay s GLN 183 Ca 0.47 -1.14 -0.00 0.00 -1.95 0.00 0.00 55.36 52.74 3aay s GLN 183 Cb 0.35 -2.77 0.00 0.00 -0.22 0.00 0.00 33.01 30.37 3aay s GLN 183 CO -0.28 -0.10 0.34 -1.13 -0.25 0.00 0.00 175.29 173.87 3aay n SER 184 N -1.73 -0.93 0.09 5.90 3.41 -1.26 -4.58 113.62 114.51 3aay n SER 184 Ca 0.04 -2.41 0.02 0.00 -0.26 0.00 0.00 58.87 56.25 3aay n SER 184 Cb 0.59 1.77 -0.03 0.00 -0.26 0.00 0.00 64.21 66.28 3aay n SER 184 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3aay h GLN 185 N 0.00 0.00 -3.62 4.33 1.08 -1.57 -3.48 115.11 111.86 3aay h GLN 185 Ca -0.19 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 56.83 3aay h GLN 185 Cb 0.87 0.00 -0.24 0.00 -0.05 0.00 0.00 27.48 28.06 3aay h GLN 185 CO 0.27 0.39 -0.59 1.03 -0.95 0.00 0.00 178.83 178.97 3aay s ARG 186 N -2.96 0.27 0.58 1.46 1.81 -0.92 -5.03 118.95 114.16 3aay s ARG 186 Ca 0.00 -0.20 -0.04 0.00 -1.72 0.00 0.00 55.73 53.78 3aay s ARG 186 Cb 0.08 0.11 0.02 0.00 -0.45 0.00 0.00 34.95 34.71 3aay s ARG 186 CO 0.78 -0.05 0.86 -1.25 -0.68 0.00 0.00 175.30 174.95 3aay s PRO 187 N -0.73 2.77 0.00 3.54 0.04 -1.26 -4.80 135.00 134.55 3aay s PRO 187 Ca -0.08 -0.26 0.00 0.00 0.04 0.00 0.00 61.00 60.70 3aay s PRO 187 Cb -0.05 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.15 3aay s PRO 187 CO 0.00 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 176.74 3aay n GLY 188 N -2.51 0.61 3.28 0.56 0.00 -1.26 -4.89 105.19 100.99 3aay n GLY 188 Ca 0.05 -2.15 -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 -0.92 1.47 0.11 1.61 -3.43 -0.19 -4.67 115.29 109.27 3aay s HIS 189 Ca 0.00 -1.41 -0.30 0.00 -0.80 0.00 0.00 55.06 52.55 3aay s HIS 189 Cb 0.00 -0.73 -0.06 0.00 -1.43 0.00 0.00 32.58 30.35 3aay s HIS 189 CO 0.00 -0.61 1.17 0.42 -2.00 0.00 0.00 174.74 173.73 3aay s ILE 190 N -3.79 3.93 0.20 -5.38 1.01 -1.26 -1.36 121.20 114.54 3aay s ILE 190 Ca 0.38 1.48 -0.33 0.00 0.00 0.00 0.00 60.65 62.18 3aay s ILE 190 Cb 0.06 -3.95 -0.14 0.00 0.01 0.00 0.00 42.46 38.44 3aay s ILE 190 CO 0.17 0.17 1.43 -2.65 0.00 0.00 0.00 174.94 174.06 3aay n PRO 191 N 3.34 1.91 -0.10 2.79 -0.02 -1.26 -0.78 135.00 140.88 3aay n PRO 191 Ca 0.07 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3aay n PRO 191 Cb 0.46 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 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 2.56 1.78 3.73 -1.23 0.00 -1.26 -4.49 105.19 106.27 3aay n GLY 192 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.75 2.29 0.02 4.61 0.00 0.04 -4.71 121.76 121.26 3aay s ALA 193 Ca 0.00 1.12 0.04 0.00 0.00 0.00 0.00 51.96 53.12 3aay s ALA 193 Cb 0.00 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 3aay s ALA 193 CO 0.00 -1.69 -0.09 0.96 0.00 0.00 0.00 175.76 174.94 3aay s ILE 194 N -1.57 3.45 -0.35 0.00 -4.36 -0.04 -4.96 121.20 113.38 3aay s ILE 194 Ca 0.80 -0.92 -0.13 0.00 -0.26 0.00 0.00 60.65 60.14 3aay s ILE 194 Cb -0.35 -2.51 -0.01 0.00 1.25 0.00 0.00 42.46 40.84 3aay s ILE 194 CO 0.41 0.34 0.27 0.21 0.24 0.00 0.00 174.94 176.41 3aay s ASN 195 N -1.53 6.09 -0.43 4.36 2.47 -1.26 -0.45 114.94 124.18 3aay s ASN 195 Ca 0.17 -0.42 0.02 0.00 0.42 0.00 0.00 52.86 53.06 3aay s ASN 195 Cb -0.11 -2.15 0.13 0.00 -1.45 0.00 0.00 41.25 37.67 3aay s ASN 195 CO 0.08 -0.27 0.21 -0.69 -3.72 0.00 0.00 177.10 172.71 3aay s VAL 196 N 1.77 1.69 0.17 -5.21 1.01 -0.59 -4.97 120.40 114.27 3aay s VAL 196 Ca 0.07 -2.56 -0.33 0.00 0.00 0.00 0.00 61.98 59.16 3aay s VAL 196 Cb -0.17 -2.20 -0.15 0.00 0.00 0.00 0.00 36.38 33.86 3aay s VAL 196 CO 0.11 -0.82 1.26 -2.65 0.00 0.00 0.00 175.10 173.00 3aay n PRO 197 N 3.69 1.37 -0.31 2.72 -0.02 -1.26 -4.18 135.00 137.01 3aay n PRO 197 Ca 0.06 0.49 0.17 0.00 -2.02 0.00 0.00 63.50 62.20 3aay n PRO 197 Cb 0.36 -2.06 0.43 0.00 -0.02 0.00 0.00 33.50 32.21 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 3.86 0.81 0.00 6.00 5.08 -1.60 -2.02 115.95 128.08 3aay h TRP 198 Ca -0.44 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.55 3aay h TRP 198 Cb 1.32 -0.24 0.00 0.00 -3.00 0.00 0.00 29.16 27.24 3aay h TRP 198 CO 0.56 0.16 0.00 0.66 -1.28 0.00 0.00 178.44 178.54 3aay h SER 199 N 0.56 0.00 0.37 0.11 4.64 -1.87 -2.46 113.55 114.91 3aay h SER 199 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 3aay h SER 199 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 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 -0.07 4.77 3.08 -1.71 -1.64 114.38 118.81 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 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 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 -1.84 2.52 -2.54 0.04 0.00 -0.93 -4.91 120.51 112.85 3aay n ALA 201 Ca -0.00 -0.58 -0.24 0.00 0.00 0.00 0.00 53.44 52.62 3aay n ALA 201 Cb 0.14 -1.02 -0.13 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.93 1.73 0.85 0.00 0.00 -0.62 -1.82 121.76 119.98 3aay s ALA 202 Ca 0.34 -1.18 -0.12 0.00 0.00 0.00 0.00 51.96 51.00 3aay s ALA 202 Cb 0.20 -0.25 0.10 0.00 0.00 0.00 0.00 23.12 23.17 3aay s ALA 202 CO 0.31 0.35 1.13 -0.80 0.00 0.00 0.00 175.76 176.75 3aay s ASN 203 N -1.73 4.08 0.31 0.00 0.02 0.65 -4.84 114.94 113.44 3aay s ASN 203 Ca 0.06 1.06 0.02 0.00 -1.02 0.00 0.00 52.86 52.98 3aay s ASN 203 Cb -0.10 -1.69 0.59 0.00 0.02 0.00 0.00 41.25 40.07 3aay s ASN 203 CO 0.04 -2.20 1.91 -0.33 0.02 0.00 0.00 177.10 176.53 3aay h GLU 204 N -1.26 0.93 -0.04 -0.60 5.08 -1.96 -1.12 114.58 115.62 3aay h GLU 204 Ca -0.48 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 3aay h GLU 204 Cb 1.31 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3aay h GLU 204 CO 0.62 0.62 0.00 -0.40 -1.00 0.00 0.00 179.01 178.84 3aay n ASP 205 N -4.51 0.24 0.00 1.42 5.68 -1.26 -4.88 116.55 113.24 3aay n ASP 205 Ca 0.14 -1.75 0.00 0.00 -0.50 0.00 0.00 54.79 52.68 3aay n ASP 205 Cb 0.24 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 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 0.69 2.41 3.78 6.12 0.00 -0.42 -3.01 105.19 114.76 3aay n GLY 206 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.42 3.35 0.41 2.61 -4.23 -1.26 -3.59 115.64 110.52 3aay s THR 207 Ca 0.00 0.65 -0.26 0.00 -1.18 0.00 0.00 61.69 60.91 3aay s THR 207 Cb 0.00 -3.18 -0.09 0.00 1.34 0.00 0.00 72.50 70.57 3aay s THR 207 CO 0.00 -0.37 1.28 -0.36 -0.54 0.00 0.00 174.62 174.64 3aay s PHE 208 N -2.30 2.84 1.05 3.99 0.08 -1.26 -0.25 117.98 122.12 3aay s PHE 208 Ca 0.67 1.43 -0.12 0.00 0.12 0.00 0.00 56.93 59.03 3aay s PHE 208 Cb -0.20 -3.63 0.22 0.00 -0.57 0.00 0.00 43.02 38.84 3aay s PHE 208 CO 0.39 -2.00 1.07 0.15 -0.10 0.00 0.00 175.22 174.73 3aay s LYS 209 N -2.27 0.00 0.81 0.44 1.02 -0.75 -4.74 119.74 114.24 3aay s LYS 209 Ca 0.57 0.80 -0.11 0.00 0.02 0.00 0.00 55.97 57.25 3aay s LYS 209 Cb -0.37 -1.66 0.08 0.00 -0.52 0.00 0.00 37.83 35.35 3aay s LYS 209 CO 0.47 -3.09 1.09 -1.54 -0.92 0.00 0.00 175.35 171.36 3aay s SER 210 N -2.97 4.24 0.33 2.83 1.04 -1.26 -4.79 113.70 113.12 3aay s SER 210 Ca 0.66 1.73 0.01 0.00 0.48 0.00 0.00 55.95 58.84 3aay s SER 210 Cb -0.22 -2.42 0.58 0.00 0.10 0.00 0.00 66.02 64.06 3aay s SER 210 CO 0.61 -2.19 1.98 0.44 0.98 0.00 0.00 173.24 175.05 3aay h ASP 211 N -1.24 0.80 -0.14 7.02 3.32 -1.95 -0.01 116.42 124.22 3aay h ASP 211 Ca -0.45 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 3aay h ASP 211 Cb 1.24 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 3aay h ASP 211 CO 0.52 0.56 0.08 -0.08 -1.72 0.00 0.00 179.24 178.61 3aay h GLU 212 N 0.94 0.20 -0.71 3.56 4.81 -2.00 -0.46 114.58 120.92 3aay h GLU 212 Ca 0.28 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.45 3aay h GLU 212 Cb -0.02 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 3aay h GLU 212 CO -0.07 0.19 0.26 0.93 -0.73 0.00 0.00 179.01 179.58 3aay h GLU 213 N 0.15 1.08 -0.27 1.92 5.08 -1.80 -2.61 114.58 118.14 3aay h GLU 213 Ca 0.05 -0.21 -0.13 0.00 -1.00 0.00 0.00 59.36 58.07 3aay h GLU 213 Cb 0.04 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 3aay h GLU 213 CO -0.01 0.91 -0.33 -0.07 -1.00 0.00 0.00 179.01 178.51 3aay h LEU 214 N 1.03 0.76 -0.81 1.33 3.38 -0.93 -1.72 115.31 118.35 3aay h LEU 214 Ca 0.24 -0.49 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 3aay h LEU 214 Cb 0.25 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3aay h LEU 214 CO -0.01 1.10 0.24 0.00 0.09 0.00 0.00 178.44 179.85 3aay h ALA 215 N 0.68 1.04 -0.38 1.53 0.00 -1.07 -2.55 119.26 118.52 3aay h ALA 215 Ca 0.04 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 3aay h ALA 215 Cb 0.91 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3aay h ALA 215 CO 0.08 0.65 0.01 -0.22 0.00 0.00 0.00 179.25 179.77 3aay h LYS 216 N 1.08 0.66 -0.21 0.00 3.64 -1.42 -1.00 116.57 119.33 3aay h LYS 216 Ca 0.24 -0.21 0.05 0.00 -1.27 0.00 0.00 60.65 59.46 3aay h LYS 216 Cb 0.28 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.99 3aay h LYS 216 CO -0.01 0.76 -0.12 1.25 -2.27 0.00 0.00 179.45 179.06 3aay h LEU 217 N 0.48 -0.40 -0.10 5.20 5.85 -1.13 0.13 115.31 125.35 3aay h LEU 217 Ca 0.11 0.09 -0.23 0.00 0.84 0.00 0.00 57.88 58.69 3aay h LEU 217 Cb 0.45 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 3aay h LEU 217 CO 0.02 -0.16 -1.02 1.88 -0.34 0.00 0.00 178.44 178.82 3aay h TYR 218 N -0.11 0.42 -0.41 1.25 0.05 -1.43 -2.66 116.97 114.08 3aay h TYR 218 Ca 0.12 -0.26 -0.04 0.00 0.05 0.00 0.00 58.73 58.60 3aay h TYR 218 Cb 0.28 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 37.97 3aay h TYR 218 CO -0.28 1.12 0.11 0.00 -1.05 0.00 0.00 178.16 178.06 3aay h ALA 219 N 0.79 0.54 -0.40 3.88 0.00 -1.04 -0.30 119.26 122.73 3aay h ALA 219 Ca -0.08 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3aay h ALA 219 Cb 1.70 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 3aay h ALA 219 CO 0.16 0.21 0.06 -0.44 0.00 0.00 0.00 179.25 179.24 3aay h ASP 220 N 0.52 0.57 1.31 0.00 3.32 -0.77 -2.58 116.42 118.78 3aay h ASP 220 Ca 0.13 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3aay h ASP 220 Cb 0.30 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3aay h ASP 220 CO -0.00 0.59 0.00 0.00 -1.72 0.00 0.00 179.24 178.11 3aay h ALA 221 N 1.48 1.00 0.00 3.45 0.00 -1.27 -3.47 119.26 120.45 3aay h ALA 221 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3aay h ALA 221 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3aay h ALA 221 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3aay n GLY 222 N 0.90 1.53 3.67 0.00 0.00 -0.86 -4.85 105.19 105.58 3aay n GLY 222 Ca 0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 3aay n GLY 222 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3aay n LEU 223 N 0.00 3.87 -4.51 0.99 7.94 -0.18 -4.94 117.00 120.17 3aay n LEU 223 Ca 0.00 0.94 -0.43 0.00 -1.11 0.00 0.00 56.01 55.41 3aay n LEU 223 Cb 0.00 -1.46 -0.08 0.00 0.53 0.00 0.00 43.42 42.41 3aay n LEU 223 CO 0.00 0.09 0.24 -0.62 -1.11 0.00 0.00 177.39 175.99 3aay s ASP 224 N 4.18 6.26 0.00 1.96 -1.08 -1.26 -4.71 116.67 122.02 3aay s ASP 224 Ca 0.90 -0.45 0.14 0.00 -0.52 0.00 0.00 52.55 52.62 3aay s ASP 224 Cb -0.54 -2.27 0.73 0.00 -1.46 0.00 0.00 42.92 39.38 3aay s ASP 224 CO 0.46 -0.65 1.37 0.59 0.52 0.00 0.00 175.17 177.46 3aay n ASN 225 N 5.89 0.00 -0.36 -0.34 3.02 -1.26 -1.36 115.26 120.85 3aay n ASN 225 Ca -0.05 0.03 0.14 0.00 -0.03 0.00 0.00 54.58 54.67 3aay n ASN 225 Cb 0.48 -0.26 0.47 0.00 -0.61 0.00 0.00 39.78 39.86 3aay n ASN 225 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3aay n SER 226 N -1.26 1.24 -4.37 6.41 3.41 -1.26 -4.92 113.62 112.87 3aay n SER 226 Ca 0.07 -1.20 -0.28 0.00 -0.26 0.00 0.00 58.87 57.20 3aay n SER 226 Cb 0.11 0.05 -0.13 0.00 -0.26 0.00 0.00 64.21 63.98 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 -2.23 1.34 1.00 4.33 1.02 -0.46 -5.12 119.74 119.62 3aay s LYS 227 Ca 0.32 -1.31 -0.15 0.00 0.02 0.00 0.00 55.97 54.85 3aay s LYS 227 Cb 0.20 -1.78 0.20 0.00 -0.52 0.00 0.00 37.83 35.93 3aay s LYS 227 CO 0.42 0.42 1.19 -1.21 -0.92 0.00 0.00 175.35 175.25 3aay s GLU 228 N -2.04 0.37 0.02 1.68 2.02 -1.26 -4.74 118.70 114.74 3aay s GLU 228 Ca 0.12 -0.04 -0.00 0.00 0.02 0.00 0.00 54.97 55.07 3aay s GLU 228 Cb -0.10 -1.78 -0.02 0.00 0.10 0.00 0.00 34.13 32.33 3aay s GLU 228 CO 0.06 -2.66 -0.02 0.99 0.02 0.00 0.00 175.26 173.65 3aay s THR 229 N -3.41 0.10 -0.03 3.63 2.01 -0.45 -0.55 115.64 116.94 3aay s THR 229 Ca 0.69 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.89 3aay s THR 229 Cb -0.10 -0.24 0.01 0.00 0.01 0.00 0.00 72.50 72.18 3aay s THR 229 CO 0.54 -0.45 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.33 3aay s ILE 230 N -1.32 0.54 0.05 1.82 1.01 0.08 -1.27 121.20 122.11 3aay s ILE 230 Ca -0.14 -0.20 0.05 0.00 0.00 0.00 0.00 60.65 60.35 3aay s ILE 230 Cb -0.09 -0.51 -0.04 0.00 0.01 0.00 0.00 42.46 41.83 3aay s ILE 230 CO -0.01 0.19 -0.06 0.00 0.00 0.00 0.00 174.94 175.06 3aay s ALA 231 N 0.42 3.07 0.24 9.38 0.00 -0.46 -0.83 121.76 133.57 3aay s ALA 231 Ca -0.05 -1.10 -0.13 0.00 0.00 0.00 0.00 51.96 50.67 3aay s ALA 231 Cb -0.09 -1.08 -0.00 0.00 0.00 0.00 0.00 23.12 21.94 3aay s ALA 231 CO 0.00 0.64 0.48 1.52 0.00 0.00 0.00 175.76 178.40 3aay s TYR 232 N -1.13 0.29 0.01 0.00 1.13 -0.22 -1.24 117.35 116.19 3aay s TYR 232 Ca 0.20 -0.65 -0.21 0.00 -1.41 0.00 0.00 57.07 55.00 3aay s TYR 232 Cb -0.11 0.22 -0.18 0.00 -1.10 0.00 0.00 41.96 40.78 3aay s TYR 232 CO 0.12 -0.98 1.22 0.00 -2.51 0.00 0.00 175.55 173.39 3aay h ARG 234 N 2.26 0.32 -5.29 -3.49 3.08 -1.93 -1.59 114.38 107.74 3aay h ARG 234 Ca -0.26 -0.23 -0.53 0.00 0.07 0.00 0.00 59.98 59.03 3aay h ARG 234 Cb 1.25 0.04 -0.14 0.00 0.08 0.00 0.00 29.97 31.20 3aay h ARG 234 CO 0.36 0.85 -0.59 0.96 -1.07 0.00 0.00 179.97 180.48 3aay s ILE 235 N -3.79 1.27 -1.23 2.04 -4.36 -1.26 -1.74 121.20 112.14 3aay s ILE 235 Ca -0.14 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.25 3aay s ILE 235 Cb 0.04 -2.74 0.00 0.00 1.25 0.00 0.00 42.46 41.00 3aay s ILE 235 CO 0.76 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.55 3aay n GLY 236 N -0.80 0.00 0.03 6.27 0.00 -0.81 -4.39 105.19 105.49 3aay n GLY 236 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.26 -0.01 0.00 1.61 4.11 -1.93 -2.49 114.58 116.14 3aay h GLU 237 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 3aay h GLU 237 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3aay h GLU 237 CO 0.00 -0.01 -0.23 0.00 0.07 0.00 0.00 179.01 178.84 3aay h ARG 238 N -0.49 0.00 0.00 1.06 3.08 -1.88 -2.66 114.38 113.50 3aay h ARG 238 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 3aay h ARG 238 Cb 0.01 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3aay h ARG 238 CO 0.00 0.23 -0.55 0.66 -1.07 0.00 0.00 179.97 179.24 3aay h SER 239 N 0.00 0.00 -0.21 7.04 4.64 -1.82 -2.14 113.55 121.06 3aay h SER 239 Ca -0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 3aay h SER 239 Cb 1.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 3aay h SER 239 CO 0.03 0.55 -0.21 0.28 -0.87 0.00 0.00 176.83 176.62 3aay h SER 240 N 0.00 0.66 -0.32 4.97 0.02 -1.07 0.22 113.55 118.03 3aay h SER 240 Ca -0.01 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 3aay h SER 240 Cb 1.04 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 3aay h SER 240 CO 0.07 0.86 0.14 -0.74 -1.14 0.00 0.00 176.83 176.02 3aay h HIS 241 N 0.58 0.48 -0.45 3.45 6.17 -1.51 -1.45 115.15 122.42 3aay h HIS 241 Ca 0.09 -0.03 -0.11 0.00 0.71 0.00 0.00 60.37 61.02 3aay h HIS 241 Cb 0.67 -0.15 -0.01 0.00 2.52 0.00 0.00 27.41 30.44 3aay h HIS 241 CO 0.03 0.44 -0.16 1.15 0.71 0.00 0.00 177.93 180.10 3aay h THR 242 N 0.38 1.27 -0.62 6.26 2.02 -1.15 -2.22 112.91 118.85 3aay h THR 242 Ca 0.11 -1.30 0.13 0.00 0.77 0.00 0.00 66.41 66.12 3aay h THR 242 Cb 0.15 1.16 -0.11 0.00 -1.74 0.00 0.00 68.15 67.62 3aay h THR 242 CO -0.01 0.44 0.00 -0.25 0.37 0.00 0.00 175.52 176.07 3aay h TRP 243 N 0.74 -0.04 -0.34 3.16 7.01 -0.43 0.22 115.95 126.26 3aay h TRP 243 Ca 0.11 0.05 0.03 0.00 2.11 0.00 0.00 58.89 61.19 3aay h TRP 243 Cb 0.72 0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.86 3aay h TRP 243 CO 0.05 -0.17 0.15 0.35 -2.79 0.00 0.00 178.44 176.03 3aay h PHE 244 N 0.12 0.27 -0.36 2.65 3.04 -0.92 0.31 116.94 122.05 3aay h PHE 244 Ca 0.33 0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.36 3aay h PHE 244 Cb 0.53 -0.07 -0.06 0.00 2.56 0.00 0.00 35.95 38.91 3aay h PHE 244 CO -0.37 0.13 0.01 0.28 -2.02 0.00 0.00 178.31 176.34 3aay h VAL 245 N 0.31 0.74 -0.12 1.41 2.07 -0.86 0.73 116.25 120.53 3aay h VAL 245 Ca 0.15 -0.04 -0.13 0.00 0.82 0.00 0.00 66.70 67.50 3aay h VAL 245 Cb 0.09 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3aay h VAL 245 CO -0.13 0.02 -0.43 -0.07 0.02 0.00 0.00 177.57 176.98 3aay h LEU 246 N 0.11 0.59 0.03 2.57 3.38 -0.46 -0.84 115.31 120.69 3aay h LEU 246 Ca 0.17 -0.61 -0.18 0.00 0.09 0.00 0.00 57.88 57.36 3aay h LEU 246 Cb 0.24 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3aay h LEU 246 CO -0.28 1.10 -0.93 -0.09 0.09 0.00 0.00 178.44 178.33 3aay h ARG 247 N 0.12 0.06 0.15 1.13 2.43 -0.96 -2.35 114.38 114.95 3aay h ARG 247 Ca -0.02 -0.10 -0.34 0.00 -0.81 0.00 0.00 59.98 58.71 3aay h ARG 247 Cb 1.06 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.64 3aay h ARG 247 CO 0.09 1.05 -1.77 0.93 -1.51 0.00 0.00 179.97 178.76 3aay h GLU 248 N -0.83 0.32 0.02 0.20 4.39 -1.02 -2.83 114.58 114.82 3aay h GLU 248 Ca -0.24 -0.55 -0.26 0.00 0.34 0.00 0.00 59.36 58.66 3aay h GLU 248 Cb 1.33 0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 30.15 3aay h GLU 248 CO -0.09 1.22 -1.41 1.28 -1.16 0.00 0.00 179.01 178.86 3aay n LEU 249 N -3.51 1.99 -0.07 1.33 4.77 -0.99 -0.75 117.00 119.76 3aay n LEU 249 Ca -0.25 0.39 0.13 0.00 -0.03 0.00 0.00 56.01 56.25 3aay n LEU 249 Cb 1.06 -0.99 0.42 0.00 -2.33 0.00 0.00 43.42 41.58 3aay n LEU 249 CO 0.49 0.38 0.67 0.18 -1.33 0.00 0.00 177.39 177.78 3aay n LEU 250 N -4.27 0.51 0.00 2.23 4.77 -0.33 -3.78 117.00 116.13 3aay n LEU 250 Ca -0.32 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 3aay n LEU 250 Cb 0.75 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3aay n LEU 250 CO 0.23 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3aay n GLY 251 N 1.42 0.53 3.73 -0.72 0.00 -1.07 -4.62 105.19 104.45 3aay n GLY 251 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.13 2.97 -0.40 1.61 3.76 -0.90 -4.48 115.29 115.72 3aay s HIS 252 Ca 0.00 0.65 0.23 0.00 -0.15 0.00 0.00 55.06 55.79 3aay s HIS 252 Cb 0.00 -3.98 0.07 0.00 1.11 0.00 0.00 32.58 29.78 3aay s HIS 252 CO 0.00 -3.53 1.07 1.04 -0.85 0.00 0.00 174.74 172.47 3aay n GLN 253 N 3.45 0.47 -3.66 1.40 1.13 -1.26 -4.36 117.38 114.55 3aay n GLN 253 Ca 0.12 0.07 -0.27 0.00 -1.94 0.00 0.00 57.00 54.98 3aay n GLN 253 Cb 0.38 -1.73 -0.10 0.00 0.11 0.00 0.00 30.24 28.90 3aay n GLN 253 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3aay n ASN 254 N -2.37 3.41 -4.05 1.08 4.13 -1.26 -5.03 115.26 111.17 3aay n ASN 254 Ca 0.01 -3.33 -0.27 0.00 1.68 0.00 0.00 54.58 52.66 3aay n ASN 254 Cb 0.50 -0.71 -0.17 0.00 -1.54 0.00 0.00 39.78 37.86 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 -1.99 1.37 0.04 2.41 1.01 -1.26 -1.35 120.40 120.63 3aay s VAL 255 Ca 0.33 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.78 3aay s VAL 255 Cb 0.06 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 3aay s VAL 255 CO -0.09 0.41 -0.15 -0.54 0.00 0.00 0.00 175.10 174.73 3aay s LYS 256 N 0.87 2.18 -0.21 2.72 1.02 -0.40 -4.52 119.74 121.41 3aay s LYS 256 Ca -0.10 -0.93 -0.17 0.00 0.02 0.00 0.00 55.97 54.79 3aay s LYS 256 Cb -0.15 -2.26 -0.03 0.00 -0.52 0.00 0.00 37.83 34.86 3aay s LYS 256 CO 0.01 0.55 0.46 1.21 -0.92 0.00 0.00 175.35 176.66 3aay s ASN 257 N -1.48 6.49 -0.77 2.83 2.47 -0.25 -1.35 114.94 122.88 3aay s ASN 257 Ca 0.16 0.58 -0.20 0.00 0.42 0.00 0.00 52.86 53.82 3aay s ASN 257 Cb -0.11 -2.26 0.11 0.00 -1.45 0.00 0.00 41.25 37.54 3aay s ASN 257 CO 0.06 -0.14 0.96 -0.47 -3.72 0.00 0.00 177.10 173.79 3aay s TYR 258 N 1.56 3.01 0.21 0.43 5.04 -0.37 -1.15 117.35 126.07 3aay s TYR 258 Ca 0.21 -1.10 0.16 0.00 -2.44 0.00 0.00 57.07 53.90 3aay s TYR 258 Cb -0.15 -4.19 0.55 0.00 0.35 0.00 0.00 41.96 38.52 3aay s TYR 258 CO 0.09 -1.46 1.69 0.38 -1.34 0.00 0.00 175.55 174.91 3aay h ASP 259 N 9.05 0.00 -0.38 4.32 2.03 -1.87 -2.73 116.42 126.84 3aay h ASP 259 Ca -0.07 0.00 0.04 0.00 -0.73 0.00 0.00 57.03 56.27 3aay h ASP 259 Cb 1.05 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.51 3aay h ASP 259 CO 1.10 0.47 0.15 1.23 -1.03 0.00 0.00 179.24 181.16 3aay h GLY 260 N 1.99 0.50 0.00 7.15 0.00 -1.90 -2.14 103.07 108.67 3aay h GLY 260 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3aay h GLY 260 CO 0.06 0.04 0.00 1.44 0.00 0.00 0.00 176.54 178.08 3aay n SER 261 N -4.99 -2.76 0.17 0.19 7.64 -1.03 -2.56 113.62 110.27 3aay n SER 261 Ca 0.02 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.91 3aay n SER 261 Cb 0.13 0.00 0.29 0.00 -1.01 0.00 0.00 64.21 63.62 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 -0.78 1.43 2.91 -1.87 0.14 115.95 117.78 3aay h TRP 262 Ca 0.00 0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.07 3aay h TRP 262 Cb 0.00 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 28.60 3aay h TRP 262 CO 0.00 0.47 0.51 1.79 -1.03 0.00 0.00 178.44 180.18 3aay h THR 263 N 0.00 1.07 0.15 2.65 1.35 -1.43 0.20 112.91 116.90 3aay h THR 263 Ca -0.00 -0.31 -0.01 0.00 -0.55 0.00 0.00 66.41 65.54 3aay h THR 263 Cb 0.85 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.37 3aay h THR 263 CO 0.06 0.16 -0.07 -0.08 -0.25 0.00 0.00 175.52 175.34 3aay h GLU 264 N 0.89 -0.20 -0.73 4.72 4.81 -1.13 -3.36 114.58 119.58 3aay h GLU 264 Ca 0.32 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.61 3aay h GLU 264 Cb 0.15 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 3aay h GLU 264 CO -0.11 -0.09 0.45 -0.92 -0.73 0.00 0.00 179.01 177.61 3aay h TYR 265 N -1.05 0.83 0.00 0.92 5.03 -0.88 -0.44 116.97 121.38 3aay h TYR 265 Ca -0.02 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.31 3aay h TYR 265 Cb 0.20 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 38.21 3aay h TYR 265 CO 0.01 0.44 0.00 0.41 -1.32 0.00 0.00 178.16 177.70 3aay n GLY 266 N -1.30 -0.65 0.07 1.82 0.00 0.69 -2.40 105.19 103.41 3aay n GLY 266 Ca 0.09 -0.12 0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.98 0.74 -4.73 1.61 7.64 -0.21 -1.38 113.62 116.31 3aay n SER 267 Ca 0.15 -0.87 -0.41 0.00 1.01 0.00 0.00 58.87 58.75 3aay n SER 267 Cb 0.07 0.47 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 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 -1.15 4.44 0.11 -3.43 1.43 -0.97 -4.91 118.68 114.20 3aay s LEU 268 Ca 0.03 2.11 -0.31 0.00 -1.03 0.00 0.00 54.13 54.92 3aay s LEU 268 Cb 0.02 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.57 3aay s LEU 268 CO 0.08 -0.34 1.45 -0.69 0.23 0.00 0.00 176.35 177.08 3aay s VAL 269 N 0.22 3.17 -0.15 -1.59 1.01 -1.26 -3.49 120.40 118.31 3aay s VAL 269 Ca 0.53 0.81 0.00 0.00 0.00 0.00 0.00 61.98 63.32 3aay s VAL 269 Cb -0.30 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.56 3aay s VAL 269 CO 0.34 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.10 3aay n GLY 270 N 3.60 0.50 3.76 4.51 0.00 -1.26 -5.01 105.19 111.29 3aay n GLY 270 Ca 0.12 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.89 3.34 0.24 4.61 0.00 -1.23 -4.99 121.76 121.84 3aay s ALA 271 Ca 0.00 0.82 -0.30 0.00 0.00 0.00 0.00 51.96 52.48 3aay s ALA 271 Cb 0.00 -3.30 -0.10 0.00 0.00 0.00 0.00 23.12 19.72 3aay s ALA 271 CO 0.00 -0.12 1.52 -2.14 0.00 0.00 0.00 175.76 175.02 3aay s PRO 272 N -1.59 4.21 0.04 0.00 0.02 -1.26 -5.02 135.00 131.41 3aay s PRO 272 Ca 0.46 2.40 0.05 0.00 0.02 0.00 0.00 61.00 63.93 3aay s PRO 272 Cb -0.29 -3.10 -0.02 0.00 0.02 0.00 0.00 34.50 31.11 3aay s PRO 272 CO 0.37 -0.53 -0.15 0.42 -0.33 0.00 0.00 177.00 176.78 3aay s ILE 273 N 0.32 1.21 -0.02 2.83 1.01 -1.26 -4.38 121.20 120.91 3aay s ILE 273 Ca 0.63 -1.06 0.05 0.00 0.00 0.00 0.00 60.65 60.28 3aay s ILE 273 Cb -0.44 -1.09 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 3aay s ILE 273 CO 0.41 0.02 -0.17 -0.70 0.00 0.00 0.00 174.94 174.51 3aay s GLU 274 N -1.19 1.41 0.31 2.79 2.12 -0.47 -4.86 118.70 118.81 3aay s GLU 274 Ca 0.02 -0.59 0.09 0.00 0.36 0.00 0.00 54.97 54.85 3aay s GLU 274 Cb -0.08 -1.33 -0.04 0.00 0.26 0.00 0.00 34.13 32.93 3aay s GLU 274 CO 0.01 0.33 0.07 -0.51 -0.54 0.00 0.00 175.26 174.63 3aay s LEU 275 N -0.31 3.22 0.13 2.70 1.43 -1.26 -1.02 118.68 123.58 3aay s LEU 275 Ca 0.05 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 3aay s LEU 275 Cb -0.07 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.44 3aay s LEU 275 CO -0.00 -0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.03 3aay n GLY 276 N -1.03 -2.14 0.00 -3.19 0.00 0.12 -5.01 105.19 93.95 3aay n GLY 276 Ca -0.05 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.58 3aay n GLY 276 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06