#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1avn s TRP 5 N 0.00 2.07 0.00 0.00 1.48 -1.26 -4.84 118.94 116.39 1avn s TRP 5 Ca 0.00 1.55 0.00 0.00 -1.06 0.00 0.00 56.10 56.59 1avn s TRP 5 Cb 0.00 -3.57 0.00 0.00 -1.16 0.00 0.00 33.47 28.74 1avn s TRP 5 CO 0.00 -2.72 0.00 0.41 -4.06 0.00 0.00 176.95 170.58 1avn n GLY 6 N 0.62 2.79 0.00 3.67 0.00 -0.66 -5.03 105.19 106.59 1avn n GLY 6 Ca 0.14 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1avn n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1avn n TYR 7 N 0.00 0.00 -1.24 1.61 4.01 -1.26 -3.91 117.16 116.37 1avn n TYR 7 Ca 0.00 -0.36 -0.01 0.00 -0.16 0.00 0.00 57.90 57.37 1avn n TYR 7 Cb 0.00 -0.04 0.01 0.00 -0.31 0.00 0.00 39.34 39.00 1avn n TYR 7 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1avn n GLY 8 N -0.36 -0.84 0.19 2.72 0.00 -1.26 -4.66 105.19 100.99 1avn n GLY 8 Ca 0.00 -1.72 -0.05 0.00 0.00 0.00 0.00 46.02 44.25 1avn n GLY 8 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1avn h LYS 9 N 0.00 0.30 0.00 1.61 1.63 -1.97 -1.48 116.57 116.66 1avn h LYS 9 Ca -0.02 -0.18 0.00 0.00 -0.85 0.00 0.00 60.65 59.60 1avn h LYS 9 Cb 0.05 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.70 1avn h LYS 9 CO 0.01 0.75 -0.96 0.72 -3.45 0.00 0.00 179.45 176.53 1avn n HIS 10 N -3.94 0.33 -1.30 1.91 8.25 -1.26 -4.38 115.22 114.83 1avn n HIS 10 Ca -0.02 0.10 0.03 0.00 -0.26 0.00 0.00 57.72 57.57 1avn n HIS 10 Cb 0.56 -0.49 0.05 0.00 1.12 0.00 0.00 29.99 31.23 1avn n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1avn n ASN 11 N -2.01 1.05 -4.41 0.41 6.94 -1.25 -4.96 115.26 111.04 1avn n ASN 11 Ca 0.02 -2.24 -0.29 0.00 -0.02 0.00 0.00 54.58 52.05 1avn n ASN 11 Cb 0.44 -0.23 0.18 0.00 -2.36 0.00 0.00 39.78 37.81 1avn n ASN 11 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1avn s GLY 12 N -1.51 1.60 0.49 4.83 0.00 -0.56 -1.65 107.32 110.52 1avn s GLY 12 Ca 0.11 -0.70 0.30 0.00 0.00 0.00 0.00 44.72 44.44 1avn s GLY 12 CO 0.01 -0.01 1.79 -2.55 0.00 0.00 0.00 173.10 172.35 1avn h PRO 13 N -1.92 0.13 0.00 2.90 0.11 -1.84 -1.00 132.00 130.37 1avn h PRO 13 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1avn h PRO 13 Cb 1.31 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1avn h PRO 13 CO 0.50 0.08 0.00 1.05 -0.21 0.00 0.00 178.00 179.43 1avn h GLU 14 N 0.13 0.00 0.00 1.05 9.09 -1.94 -2.83 114.58 120.09 1avn h GLU 14 Ca 0.57 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.98 1avn h GLU 14 Cb 1.99 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.09 1avn h GLU 14 CO -0.11 0.00 -0.71 0.72 0.05 0.00 0.00 179.01 178.95 1avn n HIS 15 N -2.52 0.00 0.26 2.06 8.25 -0.39 -4.64 115.22 118.25 1avn n HIS 15 Ca 0.01 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.60 1avn n HIS 15 Cb 0.20 -0.03 0.81 0.00 1.12 0.00 0.00 29.99 32.09 1avn n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1avn h TRP 16 N 0.00 0.00 -0.03 4.41 6.55 -1.44 -2.47 115.95 122.97 1avn h TRP 16 Ca 0.00 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.83 1avn h TRP 16 Cb 0.34 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.64 1avn h TRP 16 CO 0.00 0.00 -0.03 1.12 -1.05 0.00 0.00 178.44 178.48 1avn h HIS 17 N 0.00 0.04 -0.72 0.49 2.07 -1.79 0.32 115.15 115.55 1avn h HIS 17 Ca 0.02 -0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.51 1avn h HIS 17 Cb 0.12 -0.01 -0.03 0.00 2.57 0.00 0.00 27.41 30.05 1avn h HIS 17 CO 0.00 0.08 0.33 0.87 -3.07 0.00 0.00 177.93 176.13 1avn h LYS 18 N 0.05 1.04 0.00 5.12 1.57 -1.80 -2.93 116.57 119.62 1avn h LYS 18 Ca 0.01 -0.15 -0.22 0.00 -1.87 0.00 0.00 60.65 58.42 1avn h LYS 18 Cb 0.08 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 1avn h LYS 18 CO 0.00 0.82 -1.93 -0.25 -0.57 0.00 0.00 179.45 177.53 1avn n ASP 19 N -4.32 0.36 -3.76 0.86 8.00 -1.00 -4.75 116.55 111.94 1avn n ASP 19 Ca 0.07 0.16 -0.29 0.00 0.71 0.00 0.00 54.79 55.44 1avn n ASP 19 Cb 0.15 0.84 -0.13 0.00 -0.02 0.00 0.00 41.12 41.96 1avn n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1avn s PHE 20 N -2.86 2.42 0.59 1.24 0.08 0.07 -5.00 117.98 114.52 1avn s PHE 20 Ca -0.07 -2.73 0.30 0.00 0.12 0.00 0.00 56.93 54.55 1avn s PHE 20 Cb 0.09 -2.13 1.80 0.00 -0.57 0.00 0.00 43.02 42.21 1avn s PHE 20 CO 0.84 -0.74 2.22 -1.35 -0.10 0.00 0.00 175.22 176.10 1avn h PRO 21 N 6.34 0.00 0.00 0.24 0.11 -1.76 -1.04 132.00 135.88 1avn h PRO 21 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1avn h PRO 21 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1avn h PRO 21 CO 0.55 0.00 0.00 0.97 -0.21 0.00 0.00 178.00 179.31 1avn h ILE 22 N 0.00 0.00 -0.18 4.15 2.10 -1.92 -2.85 117.51 118.80 1avn h ILE 22 Ca 0.02 -0.01 0.05 0.00 1.08 0.00 0.00 64.86 66.00 1avn h ILE 22 Cb 0.12 0.77 -0.01 0.00 -1.09 0.00 0.00 36.82 36.61 1avn h ILE 22 CO -0.00 0.00 0.51 0.00 -1.08 0.00 0.00 178.15 177.58 1avn h ALA 23 N 2.00 1.75 -0.26 0.18 0.00 -1.51 0.54 119.26 121.96 1avn h ALA 23 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1avn h ALA 23 Cb 0.01 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1avn h ALA 23 CO 0.00 -0.61 -0.01 1.63 0.00 0.00 0.00 179.25 180.27 1avn n LYS 24 N -3.09 2.57 0.00 0.00 5.02 -1.08 -4.96 118.16 116.63 1avn n LYS 24 Ca 0.03 -2.89 0.00 0.00 -2.02 0.00 0.00 58.31 53.43 1avn n LYS 24 Cb 0.61 -1.82 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 1avn n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1avn n GLY 25 N -0.71 -1.59 0.06 0.72 0.00 0.19 -5.01 105.19 98.84 1avn n GLY 25 Ca 0.23 -1.58 0.12 0.00 0.00 0.00 0.00 46.02 44.80 1avn n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1avn n GLU 26 N -1.05 0.22 -2.86 1.61 -0.58 -1.26 -4.35 120.64 112.36 1avn n GLU 26 Ca 0.00 0.09 -0.17 0.00 -0.42 0.00 0.00 57.16 56.67 1avn n GLU 26 Cb 0.00 -1.67 -0.00 0.00 -0.57 0.00 0.00 31.44 29.20 1avn n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1avn n ARG 27 N -2.00 1.62 -2.36 3.49 1.85 -1.26 -4.71 116.66 113.27 1avn n ARG 27 Ca 0.04 -3.65 -0.30 0.00 -1.00 0.00 0.00 57.85 52.94 1avn n ARG 27 Cb 0.41 -1.65 -0.01 0.00 -1.05 0.00 0.00 32.46 30.16 1avn n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1avn s GLN 28 N -2.97 3.70 0.17 2.89 -1.52 -1.26 -2.15 119.66 118.53 1avn s GLN 28 Ca 0.37 0.62 0.07 0.00 -1.95 0.00 0.00 55.36 54.47 1avn s GLN 28 Cb 0.39 -2.22 -0.04 0.00 -0.22 0.00 0.00 33.01 30.92 1avn s GLN 28 CO -0.05 -0.31 -0.14 -1.12 -0.25 0.00 0.00 175.29 173.41 1avn s SER 29 N -3.69 2.37 0.00 5.90 0.01 -1.26 -4.62 113.70 112.40 1avn s SER 29 Ca 0.53 -0.95 0.00 0.00 1.31 0.00 0.00 55.95 56.84 1avn s SER 29 Cb -0.10 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.02 1avn s SER 29 CO 0.42 -0.17 0.00 -0.81 0.41 0.00 0.00 173.24 173.09 1avn n PRO 30 N -0.07 0.00 -4.20 12.44 -0.04 -1.26 -4.55 135.00 137.31 1avn n PRO 30 Ca -0.11 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.24 1avn n PRO 30 Cb 0.59 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.95 1avn n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1avn s VAL 31 N -2.29 0.51 -0.12 0.52 -7.23 -1.26 -0.71 120.40 109.83 1avn s VAL 31 Ca 0.00 -1.95 -0.23 0.00 -1.81 0.00 0.00 61.98 57.99 1avn s VAL 31 Cb 0.00 -2.01 -0.03 0.00 0.56 0.00 0.00 36.38 34.90 1avn s VAL 31 CO 0.00 -0.55 0.70 -0.62 -0.31 0.00 0.00 175.10 174.32 1avn s ASP 32 N -3.11 6.90 -0.53 4.85 2.15 -1.26 -3.09 116.67 122.58 1avn s ASP 32 Ca 0.21 1.09 -0.20 0.00 0.43 0.00 0.00 52.55 54.09 1avn s ASP 32 Cb 0.06 -2.40 0.06 0.00 -0.30 0.00 0.00 42.92 40.35 1avn s ASP 32 CO 0.01 -0.20 0.69 -0.63 -0.17 0.00 0.00 175.17 174.87 1avn s ILE 33 N 1.31 4.79 -0.57 4.11 1.01 0.13 -4.94 121.20 127.05 1avn s ILE 33 Ca 0.35 -0.46 -0.26 0.00 0.00 0.00 0.00 60.65 60.28 1avn s ILE 33 Cb -0.17 -4.37 0.04 0.00 0.01 0.00 0.00 42.46 37.97 1avn s ILE 33 CO 0.15 -0.91 1.07 -0.62 0.00 0.00 0.00 174.94 174.63 1avn s ASP 34 N 2.87 6.39 0.31 3.58 -1.08 -1.26 0.09 116.67 127.57 1avn s ASP 34 Ca 0.17 -0.13 0.25 0.00 -0.52 0.00 0.00 52.55 52.31 1avn s ASP 34 Cb -0.19 -2.50 1.09 0.00 -1.46 0.00 0.00 42.92 39.87 1avn s ASP 34 CO 0.12 -1.36 1.74 0.71 0.52 0.00 0.00 175.17 176.90 1avn h THR 35 N 6.09 0.00 0.00 1.71 1.35 -1.94 -2.46 112.91 117.65 1avn h THR 35 Ca -0.26 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1avn h THR 35 Cb 1.06 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1avn h THR 35 CO 1.14 0.00 -0.94 1.41 -0.25 0.00 0.00 175.52 176.88 1avn n HIS 36 N -2.34 0.08 0.57 4.73 8.25 -1.26 -4.04 115.22 121.21 1avn n HIS 36 Ca 0.01 0.02 0.06 0.00 -0.26 0.00 0.00 57.72 57.55 1avn n HIS 36 Cb 0.19 -0.22 -0.06 0.00 1.12 0.00 0.00 29.99 31.02 1avn n HIS 36 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1avn n THR 37 N -1.68 0.00 -2.50 1.59 -1.04 -0.96 -4.95 114.28 104.75 1avn n THR 37 Ca 0.03 -0.22 -0.41 0.00 -2.04 0.00 0.00 64.05 61.40 1avn n THR 37 Cb 0.38 1.01 -0.04 0.00 -1.82 0.00 0.00 70.33 69.86 1avn n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1avn s ALA 38 N -2.11 3.36 -0.13 2.41 0.00 -1.03 -4.76 121.76 119.50 1avn s ALA 38 Ca 0.05 0.80 -0.03 0.00 0.00 0.00 0.00 51.96 52.78 1avn s ALA 38 Cb 0.09 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 1avn s ALA 38 CO 0.49 -0.29 0.00 0.21 0.00 0.00 0.00 175.76 176.16 1avn s LYS 39 N 0.28 3.38 0.33 0.00 2.36 -0.72 -4.83 119.74 120.53 1avn s LYS 39 Ca 0.53 -0.43 -0.29 0.00 -2.55 0.00 0.00 55.97 53.23 1avn s LYS 39 Cb -0.29 -2.91 -0.11 0.00 -1.05 0.00 0.00 37.83 33.47 1avn s LYS 39 CO 0.32 0.49 1.56 -0.47 1.55 0.00 0.00 175.35 178.79 1avn s TYR 40 N -0.28 2.67 -0.29 4.03 5.04 -1.26 -1.48 117.35 125.78 1avn s TYR 40 Ca 0.06 0.93 0.01 0.00 -2.44 0.00 0.00 57.07 55.63 1avn s TYR 40 Cb -0.12 -4.06 0.08 0.00 0.35 0.00 0.00 41.96 38.21 1avn s TYR 40 CO 0.02 -3.39 0.02 0.34 -1.34 0.00 0.00 175.55 171.21 1avn s ASP 41 N 0.24 4.20 0.53 4.32 -1.08 -0.66 -4.85 116.67 119.37 1avn s ASP 41 Ca 0.59 -1.62 0.32 0.00 -0.52 0.00 0.00 52.55 51.32 1avn s ASP 41 Cb -0.47 -1.23 1.25 0.00 -1.46 0.00 0.00 42.92 41.00 1avn s ASP 41 CO 0.54 -0.33 1.94 1.55 0.52 0.00 0.00 175.17 179.40 1avn h PRO 42 N 7.88 0.00 0.00 4.34 0.14 -1.93 -2.51 132.00 139.93 1avn h PRO 42 Ca -0.12 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.02 1avn h PRO 42 Cb 1.04 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.18 1avn h PRO 42 CO 0.46 0.03 0.00 -1.13 0.14 0.00 0.00 178.00 177.50 1avn n SER 43 N -3.13 0.00 -4.75 1.44 3.41 -1.26 -4.78 113.62 104.55 1avn n SER 43 Ca 0.01 0.22 -0.40 0.00 -0.26 0.00 0.00 58.87 58.44 1avn n SER 43 Cb 0.33 -0.40 -0.05 0.00 -0.26 0.00 0.00 64.21 63.83 1avn n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1avn s LEU 44 N -2.80 4.49 0.46 1.04 1.43 -0.95 -5.04 118.68 117.31 1avn s LEU 44 Ca 0.18 1.55 -0.02 0.00 -1.03 0.00 0.00 54.13 54.81 1avn s LEU 44 Cb 0.17 -3.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.07 1avn s LEU 44 CO 0.44 0.04 0.72 -0.54 0.23 0.00 0.00 176.35 177.24 1avn s LYS 45 N -0.25 3.28 0.57 1.70 1.02 -1.24 -4.98 119.74 119.84 1avn s LYS 45 Ca 0.40 -0.16 -0.19 0.00 0.02 0.00 0.00 55.97 56.03 1avn s LYS 45 Cb -0.22 -2.48 -0.05 0.00 -0.52 0.00 0.00 37.83 34.57 1avn s LYS 45 CO 0.25 -0.23 1.15 -2.14 -0.92 0.00 0.00 175.35 173.47 1avn s PRO 46 N -4.63 3.20 0.49 -1.68 0.02 -1.26 -2.83 135.00 128.31 1avn s PRO 46 Ca 0.47 1.66 -0.21 0.00 0.02 0.00 0.00 61.00 62.95 1avn s PRO 46 Cb -0.10 -1.98 -0.08 0.00 0.02 0.00 0.00 34.50 32.36 1avn s PRO 46 CO 0.41 -0.98 1.06 -0.51 -0.33 0.00 0.00 177.00 176.65 1avn s LEU 47 N -3.95 3.86 -0.26 -5.54 1.43 -1.26 -1.98 118.68 110.98 1avn s LEU 47 Ca 0.74 2.01 0.00 0.00 -1.03 0.00 0.00 54.13 55.85 1avn s LEU 47 Cb -0.26 -4.51 0.04 0.00 0.03 0.00 0.00 46.19 41.50 1avn s LEU 47 CO 0.30 -0.85 -0.08 -0.55 0.23 0.00 0.00 176.35 175.40 1avn s SER 48 N -1.86 4.39 -0.38 2.29 0.15 0.13 -4.86 113.70 113.56 1avn s SER 48 Ca 0.67 -1.15 -0.08 0.00 0.70 0.00 0.00 55.95 56.10 1avn s SER 48 Cb -0.19 -1.61 0.06 0.00 -1.71 0.00 0.00 66.02 62.56 1avn s SER 48 CO 0.23 -0.17 0.18 -0.69 1.20 0.00 0.00 173.24 173.98 1avn s VAL 49 N 1.22 3.97 -0.72 4.45 1.01 -1.26 -1.11 120.40 127.96 1avn s VAL 49 Ca -0.04 -1.28 -0.04 0.00 0.00 0.00 0.00 61.98 60.62 1avn s VAL 49 Cb -0.18 -3.35 0.18 0.00 0.00 0.00 0.00 36.38 33.03 1avn s VAL 49 CO -0.05 -0.34 0.57 -0.44 0.00 0.00 0.00 175.10 174.84 1avn s SER 50 N 1.71 5.58 0.00 3.32 0.01 -0.20 -4.88 113.70 119.24 1avn s SER 50 Ca 0.01 -3.08 0.16 0.00 1.31 0.00 0.00 55.95 54.34 1avn s SER 50 Cb -0.21 -1.90 0.33 0.00 0.21 0.00 0.00 66.02 64.45 1avn s SER 50 CO 0.02 -0.34 1.24 -1.22 0.41 0.00 0.00 173.24 173.36 1avn n TYR 51 N 3.21 0.44 0.23 2.43 4.01 -1.26 -1.82 117.16 124.39 1avn n TYR 51 Ca 0.12 -0.32 0.10 0.00 -0.16 0.00 0.00 57.90 57.63 1avn n TYR 51 Cb 0.38 -0.01 0.65 0.00 -0.31 0.00 0.00 39.34 40.05 1avn n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1avn h ASP 52 N 3.02 0.00 -0.38 7.72 2.03 -1.90 -2.95 116.42 123.96 1avn h ASP 52 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1avn h ASP 52 Cb 0.78 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.28 1avn h ASP 52 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.21 1avn n GLN 53 N -4.51 3.60 -1.68 4.15 1.13 -1.16 -5.03 117.38 113.88 1avn n GLN 53 Ca -0.01 -2.94 -0.44 0.00 -1.94 0.00 0.00 57.00 51.67 1avn n GLN 53 Cb 0.16 -1.98 -0.02 0.00 0.11 0.00 0.00 30.24 28.51 1avn n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1avn n ALA 54 N -0.07 1.24 -4.01 -1.58 0.00 -1.12 -4.63 120.51 110.34 1avn n ALA 54 Ca 0.23 0.39 -0.32 0.00 0.00 0.00 0.00 53.44 53.75 1avn n ALA 54 Cb 0.99 -2.28 -0.15 0.00 0.00 0.00 0.00 19.45 18.01 1avn n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1avn s THR 55 N -0.38 2.31 0.34 0.00 2.01 -1.26 -4.90 115.64 113.76 1avn s THR 55 Ca 0.64 -2.09 -0.20 0.00 0.31 0.00 0.00 61.69 60.36 1avn s THR 55 Cb -0.62 -2.59 -0.10 0.00 0.01 0.00 0.00 72.50 69.21 1avn s THR 55 CO 0.53 -0.41 0.84 -0.94 -0.69 0.00 0.00 174.62 173.95 1avn s SER 56 N 1.01 6.98 -0.03 3.53 1.04 -1.26 -1.15 113.70 123.82 1avn s SER 56 Ca 0.04 1.53 -0.02 0.00 0.48 0.00 0.00 55.95 57.98 1avn s SER 56 Cb -0.20 -2.47 -0.01 0.00 0.10 0.00 0.00 66.02 63.44 1avn s SER 56 CO -0.07 -0.18 -0.04 0.18 0.98 0.00 0.00 173.24 174.11 1avn n LEU 57 N -0.08 0.37 -4.00 2.42 4.77 0.20 -4.02 117.00 116.66 1avn n LEU 57 Ca 0.03 0.04 -0.09 0.00 -0.03 0.00 0.00 56.01 55.96 1avn n LEU 57 Cb 0.52 -0.10 -0.08 0.00 -2.33 0.00 0.00 43.42 41.43 1avn n LEU 57 CO 0.41 0.09 -0.13 -0.60 -1.33 0.00 0.00 177.39 175.83 1avn s ARG 58 N -2.06 1.00 -0.05 3.23 3.52 -1.21 -1.15 118.95 122.23 1avn s ARG 58 Ca -0.05 -1.20 0.03 0.00 -0.13 0.00 0.00 55.73 54.39 1avn s ARG 58 Cb 0.02 0.32 0.00 0.00 -1.56 0.00 0.00 34.95 33.74 1avn s ARG 58 CO 0.06 -0.33 -0.15 -1.50 -0.81 0.00 0.00 175.30 172.58 1avn s ILE 59 N -3.96 1.26 0.00 4.11 2.07 0.45 -1.33 121.20 123.80 1avn s ILE 59 Ca 0.16 -0.60 0.00 0.00 -1.41 0.00 0.00 60.65 58.80 1avn s ILE 59 Cb 0.05 -1.11 -0.01 0.00 0.13 0.00 0.00 42.46 41.53 1avn s ILE 59 CO -0.02 0.37 -0.02 -0.22 -1.91 0.00 0.00 174.94 173.14 1avn s LEU 60 N 0.27 2.05 -0.41 8.50 2.96 -0.56 -1.06 118.68 130.44 1avn s LEU 60 Ca -0.08 -0.13 -0.17 0.00 -0.22 0.00 0.00 54.13 53.53 1avn s LEU 60 Cb -0.13 -0.04 0.02 0.00 0.50 0.00 0.00 46.19 46.54 1avn s LEU 60 CO 0.03 -0.05 0.45 0.21 -1.32 0.00 0.00 176.35 175.67 1avn s ASN 61 N -0.34 6.21 -0.01 3.68 3.84 -0.10 -1.30 114.94 126.93 1avn s ASN 61 Ca -0.03 -0.55 0.17 0.00 0.21 0.00 0.00 52.86 52.67 1avn s ASN 61 Cb -0.03 -2.23 0.50 0.00 -0.55 0.00 0.00 41.25 38.95 1avn s ASN 61 CO -0.00 -0.56 1.42 -0.46 -2.79 0.00 0.00 177.10 174.71 1avn n ASN 62 N 5.63 3.08 0.00 -4.21 0.23 -0.99 -0.90 115.26 118.10 1avn n ASN 62 Ca -0.07 -2.03 0.00 0.00 -0.53 0.00 0.00 54.58 51.95 1avn n ASN 62 Cb 0.48 -0.39 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 1avn n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1avn n GLY 63 N 1.36 1.37 0.00 4.83 0.00 -1.26 -4.79 105.19 106.70 1avn n GLY 63 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1avn n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1avn n HIS 64 N -2.00 0.00 -3.55 1.61 1.44 -1.26 -4.72 115.22 106.73 1avn n HIS 64 Ca 0.00 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.70 1avn n HIS 64 Cb 0.00 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.12 1avn n HIS 64 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1avn n ALA 65 N -0.32 -0.80 -2.66 1.59 0.00 -1.26 -4.89 120.51 112.17 1avn n ALA 65 Ca 0.00 -0.32 -0.31 0.00 0.00 0.00 0.00 53.44 52.81 1avn n ALA 65 Cb 0.00 0.18 -0.16 0.00 0.00 0.00 0.00 19.45 19.47 1avn n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1avn s PHE 66 N -4.95 2.41 -0.12 0.00 -0.12 -1.26 -2.35 117.98 111.58 1avn s PHE 66 Ca 0.07 -0.67 -0.02 0.00 -0.05 0.00 0.00 56.93 56.26 1avn s PHE 66 Cb -0.01 -1.57 -0.03 0.00 -0.63 0.00 0.00 43.02 40.78 1avn s PHE 66 CO 0.02 -0.18 -0.06 -0.80 -0.05 0.00 0.00 175.22 174.15 1avn s ASN 67 N -0.25 4.66 -0.24 1.98 0.02 -0.42 -4.15 114.94 116.55 1avn s ASN 67 Ca -0.01 -0.11 -0.10 0.00 -1.02 0.00 0.00 52.86 51.62 1avn s ASN 67 Cb -0.13 -1.54 -0.05 0.00 0.02 0.00 0.00 41.25 39.55 1avn s ASN 67 CO 0.03 0.24 0.15 -0.69 0.02 0.00 0.00 177.10 176.85 1avn s VAL 68 N -0.09 5.24 -0.09 1.60 1.01 0.13 -1.50 120.40 126.70 1avn s VAL 68 Ca 0.01 0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 1avn s VAL 68 Cb -0.13 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1avn s VAL 68 CO 0.03 0.34 0.07 -1.61 0.00 0.00 0.00 175.10 173.92 1avn s GLU 69 N 1.17 3.18 0.24 2.72 2.02 -0.44 -1.47 118.70 126.11 1avn s GLU 69 Ca 0.07 -0.31 0.10 0.00 0.02 0.00 0.00 54.97 54.86 1avn s GLU 69 Cb -0.14 -2.96 -0.04 0.00 0.10 0.00 0.00 34.13 31.08 1avn s GLU 69 CO 0.05 0.73 -0.10 -0.06 0.02 0.00 0.00 175.26 175.90 1avn s PHE 70 N -0.99 2.54 -0.31 1.61 0.40 -0.32 -0.63 117.98 120.29 1avn s PHE 70 Ca 0.15 -0.26 -0.29 0.00 -0.60 0.00 0.00 56.93 55.93 1avn s PHE 70 Cb -0.12 -1.16 -0.00 0.00 0.51 0.00 0.00 43.02 42.25 1avn s PHE 70 CO 0.05 0.61 1.41 0.34 0.70 0.00 0.00 175.22 178.33 1avn s ASP 71 N -3.34 6.51 -0.29 1.36 2.15 -0.30 -4.84 116.67 117.92 1avn s ASP 71 Ca 0.29 1.22 0.09 0.00 0.43 0.00 0.00 52.55 54.57 1avn s ASP 71 Cb -0.07 -2.54 0.50 0.00 -0.30 0.00 0.00 42.92 40.52 1avn s ASP 71 CO 0.17 -1.21 1.46 -0.90 -0.17 0.00 0.00 175.17 174.51 1avn n ASP 72 N 8.14 2.44 -0.25 -0.34 5.75 -1.26 -4.61 116.55 126.41 1avn n ASP 72 Ca 0.16 -3.81 0.13 0.00 -0.01 0.00 0.00 54.79 51.27 1avn n ASP 72 Cb 0.47 -0.64 0.44 0.00 -1.03 0.00 0.00 41.12 40.36 1avn n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1avn n SER 73 N -1.13 0.98 -3.87 -1.12 3.41 -1.26 -4.87 113.62 105.76 1avn n SER 73 Ca 0.33 -0.91 -0.09 0.00 -0.26 0.00 0.00 58.87 57.94 1avn n SER 73 Cb 1.03 0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 64.98 1avn n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1avn s GLN 74 N -2.43 0.77 -1.24 4.33 -0.21 -1.26 -5.09 119.66 114.52 1avn s GLN 74 Ca 0.27 -0.86 -0.13 0.00 0.02 0.00 0.00 55.36 54.66 1avn s GLN 74 Cb 0.20 0.31 -0.06 0.00 1.00 0.00 0.00 33.01 34.46 1avn s GLN 74 CO 0.49 -0.23 2.33 -0.25 -2.12 0.00 0.00 175.29 175.51 1avn n ASP 75 N 0.23 5.10 -0.00 5.90 8.00 -1.26 -4.64 116.55 129.88 1avn n ASP 75 Ca -0.16 -2.62 -0.22 0.00 0.71 0.00 0.00 54.79 52.50 1avn n ASP 75 Cb 0.61 -1.40 -0.14 0.00 -0.02 0.00 0.00 41.12 40.18 1avn n ASP 75 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1avn h LYS 76 N 6.21 0.24 -3.78 -1.24 1.57 -1.89 -3.44 116.57 114.24 1avn h LYS 76 Ca 0.60 -0.41 -0.59 0.00 -1.87 0.00 0.00 60.65 58.38 1avn h LYS 76 Cb 0.45 0.15 -0.40 0.00 0.08 0.00 0.00 32.23 32.52 1avn h LYS 76 CO 1.79 1.20 -0.75 0.00 -0.57 0.00 0.00 179.45 181.11 1avn s ALA 77 N -2.53 1.72 0.16 3.86 0.00 -1.26 -3.00 121.76 120.71 1avn s ALA 77 Ca -0.23 -1.69 0.05 0.00 0.00 0.00 0.00 51.96 50.09 1avn s ALA 77 Cb 0.06 -1.62 -0.05 0.00 0.00 0.00 0.00 23.12 21.52 1avn s ALA 77 CO 0.75 -1.59 -0.10 0.14 0.00 0.00 0.00 175.76 174.96 1avn s VAL 78 N 1.52 1.21 -0.04 0.00 -7.23 -0.76 -0.81 120.40 114.29 1avn s VAL 78 Ca 0.08 -2.07 0.06 0.00 -1.81 0.00 0.00 61.98 58.24 1avn s VAL 78 Cb -0.18 -1.90 -0.01 0.00 0.56 0.00 0.00 36.38 34.85 1avn s VAL 78 CO -0.20 -0.70 -0.23 -0.22 -0.31 0.00 0.00 175.10 173.44 1avn s LEU 79 N -3.19 2.03 0.29 1.32 2.96 0.01 -1.04 118.68 121.07 1avn s LEU 79 Ca 0.18 -0.45 -0.11 0.00 -0.22 0.00 0.00 54.13 53.54 1avn s LEU 79 Cb 0.02 -1.23 0.01 0.00 0.50 0.00 0.00 46.19 45.49 1avn s LEU 79 CO 0.02 0.25 0.53 -1.59 -1.32 0.00 0.00 176.35 174.23 1avn s LYS 80 N -0.29 1.76 3.26 1.98 -2.85 -0.26 -2.06 119.74 121.27 1avn s LYS 80 Ca 0.02 -1.41 0.00 0.00 -1.00 0.00 0.00 55.97 53.57 1avn s LYS 80 Cb -0.11 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.15 1avn s LYS 80 CO 0.02 -0.75 0.00 0.41 0.10 0.00 0.00 175.35 175.13 1avn n GLY 81 N -0.46 -0.07 7.00 0.59 0.00 -1.26 0.19 105.19 111.19 1avn n GLY 81 Ca -0.02 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1avn n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1avn n GLY 82 N 0.00 2.84 0.01 -0.02 0.00 -0.84 -0.67 105.19 106.52 1avn n GLY 82 Ca 0.00 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 45.85 1avn n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1avn n PRO 83 N 14.00 1.02 -3.42 1.61 -0.04 -1.26 -3.60 135.00 143.30 1avn n PRO 83 Ca 0.00 -0.03 -0.33 0.00 -0.04 0.00 0.00 63.50 63.10 1avn n PRO 83 Cb 0.00 -1.38 -0.05 0.00 -0.04 0.00 0.00 33.50 32.02 1avn n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1avn s LEU 84 N -1.76 4.24 -0.35 1.53 1.43 0.15 -5.05 118.68 118.86 1avn s LEU 84 Ca 0.36 0.94 -0.05 0.00 -1.03 0.00 0.00 54.13 54.36 1avn s LEU 84 Cb 0.17 -3.48 0.06 0.00 0.03 0.00 0.00 46.19 42.97 1avn s LEU 84 CO 0.28 0.01 0.12 -1.81 0.23 0.00 0.00 176.35 175.18 1avn s ASP 85 N -2.11 5.23 0.00 2.29 1.01 -1.26 -4.35 116.67 117.47 1avn s ASP 85 Ca 0.43 -1.42 0.00 0.00 0.71 0.00 0.00 52.55 52.27 1avn s ASP 85 Cb -0.13 -1.83 0.00 0.00 1.01 0.00 0.00 42.92 41.97 1avn s ASP 85 CO 0.20 -0.39 0.00 0.61 0.21 0.00 0.00 175.17 175.81 1avn n GLY 86 N 4.73 -3.34 3.82 0.21 0.00 -1.26 -4.99 105.19 104.35 1avn n GLY 86 Ca -0.10 -2.15 -0.38 0.00 0.00 0.00 0.00 46.02 43.39 1avn n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1avn s THR 87 N -0.93 5.02 -0.06 2.61 2.01 -1.26 -4.58 115.64 118.46 1avn s THR 87 Ca 0.00 0.89 0.02 0.00 0.31 0.00 0.00 61.69 62.91 1avn s THR 87 Cb 0.00 -3.74 0.01 0.00 0.01 0.00 0.00 72.50 68.78 1avn s THR 87 CO 0.00 0.54 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.04 1avn s TYR 88 N -0.83 1.43 -0.08 4.92 1.51 -0.88 -2.22 117.35 121.20 1avn s TYR 88 Ca 0.24 -0.51 -0.12 0.00 -1.01 0.00 0.00 57.07 55.67 1avn s TYR 88 Cb -0.17 -1.04 -0.05 0.00 -0.11 0.00 0.00 41.96 40.59 1avn s TYR 88 CO 0.13 -0.26 0.29 1.03 -1.11 0.00 0.00 175.55 175.64 1avn s ARG 89 N 0.61 3.87 0.07 -0.62 0.52 -0.74 -0.81 118.95 121.85 1avn s ARG 89 Ca -0.13 0.15 -0.31 0.00 -0.52 0.00 0.00 55.73 54.92 1avn s ARG 89 Cb -0.15 -3.27 -0.08 0.00 0.52 0.00 0.00 34.95 31.97 1avn s ARG 89 CO 0.03 0.59 1.64 -1.17 0.02 0.00 0.00 175.30 176.41 1avn s LEU 90 N -0.62 4.36 -0.22 2.53 2.96 0.01 -2.37 118.68 125.33 1avn s LEU 90 Ca 0.19 2.47 -0.08 0.00 -0.22 0.00 0.00 54.13 56.49 1avn s LEU 90 Cb -0.14 -3.56 -0.11 0.00 0.50 0.00 0.00 46.19 42.88 1avn s LEU 90 CO 0.08 -0.87 -0.27 0.00 -1.32 0.00 0.00 176.35 173.97 1avn n ILE 91 N 4.68 1.22 -3.51 6.68 3.06 -0.47 -4.60 119.36 126.43 1avn n ILE 91 Ca 0.16 -0.35 -0.16 0.00 -2.50 0.00 0.00 62.75 59.90 1avn n ILE 91 Cb 0.41 -1.68 -0.05 0.00 0.54 0.00 0.00 39.64 38.86 1avn n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1avn s GLN 92 N -2.41 1.10 0.21 9.51 1.03 -1.23 -1.18 119.66 126.69 1avn s GLN 92 Ca -0.31 0.02 0.10 0.00 0.04 0.00 0.00 55.36 55.21 1avn s GLN 92 Cb 0.11 0.51 -0.04 0.00 0.03 0.00 0.00 33.01 33.62 1avn s GLN 92 CO 0.41 -0.39 -0.19 -0.59 -2.54 0.00 0.00 175.29 171.99 1avn s PHE 93 N -1.96 2.03 0.29 9.60 -0.12 -0.55 -1.98 117.98 125.30 1avn s PHE 93 Ca -0.07 -0.42 -0.17 0.00 -0.05 0.00 0.00 56.93 56.21 1avn s PHE 93 Cb -0.00 -0.97 0.02 0.00 -0.63 0.00 0.00 43.02 41.44 1avn s PHE 93 CO 0.03 0.47 0.66 -3.38 -0.05 0.00 0.00 175.22 172.94 1avn s HIS 94 N -2.21 0.06 0.21 3.49 -3.43 -0.69 -0.70 115.29 112.03 1avn s HIS 94 Ca 0.21 -0.52 0.06 0.00 -0.80 0.00 0.00 55.06 54.01 1avn s HIS 94 Cb -0.05 0.56 -0.05 0.00 -1.43 0.00 0.00 32.58 31.61 1avn s HIS 94 CO 0.09 -1.22 -0.09 -0.06 -2.00 0.00 0.00 174.74 171.46 1avn s PHE 95 N -3.66 1.60 -0.09 0.38 0.40 -1.26 -0.94 117.98 114.41 1avn s PHE 95 Ca 0.16 -0.72 0.02 0.00 -0.60 0.00 0.00 56.93 55.79 1avn s PHE 95 Cb -0.04 -0.83 0.01 0.00 0.51 0.00 0.00 43.02 42.67 1avn s PHE 95 CO 0.09 0.19 -0.16 -1.01 0.70 0.00 0.00 175.22 175.03 1avn s HIS 96 N -3.17 1.91 0.25 0.36 3.76 -0.68 -4.71 115.29 113.01 1avn s HIS 96 Ca 0.23 -0.81 -0.03 0.00 -0.15 0.00 0.00 55.06 54.30 1avn s HIS 96 Cb 0.02 -1.36 -0.02 0.00 1.11 0.00 0.00 32.58 32.33 1avn s HIS 96 CO 0.06 -0.40 0.28 1.67 -0.85 0.00 0.00 174.74 175.51 1avn s TRP 97 N 0.74 1.03 0.54 1.40 -2.14 -1.22 -1.57 118.94 117.72 1avn s TRP 97 Ca -0.12 -1.25 0.05 0.00 2.66 0.00 0.00 56.10 57.44 1avn s TRP 97 Cb -0.16 -0.33 0.05 0.00 -3.10 0.00 0.00 33.47 29.93 1avn s TRP 97 CO 0.02 -0.83 0.42 0.41 -2.66 0.00 0.00 176.95 174.32 1avn n GLY 98 N -0.38 2.72 0.41 3.67 0.00 -1.18 -1.23 105.19 109.20 1avn n GLY 98 Ca 0.02 -2.29 0.13 0.00 0.00 0.00 0.00 46.02 43.87 1avn n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1avn n SER 99 N -1.85 1.44 -3.92 1.61 3.41 -1.26 -4.42 113.62 108.62 1avn n SER 99 Ca -0.01 -1.27 -0.09 0.00 -0.26 0.00 0.00 58.87 57.23 1avn n SER 99 Cb 0.61 0.09 -0.09 0.00 -0.26 0.00 0.00 64.21 64.56 1avn n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1avn s LEU 100 N -2.25 1.77 0.32 1.04 1.43 -1.26 -5.06 118.68 114.66 1avn s LEU 100 Ca 0.30 -0.55 0.25 0.00 -1.03 0.00 0.00 54.13 53.10 1avn s LEU 100 Cb 0.20 0.65 1.13 0.00 0.03 0.00 0.00 46.19 48.20 1avn s LEU 100 CO 0.43 -0.54 1.76 0.44 0.23 0.00 0.00 176.35 178.67 1avn h ASP 101 N 3.53 0.00 -0.13 2.29 3.32 -1.93 -3.02 116.42 120.49 1avn h ASP 101 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1avn h ASP 101 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1avn h ASP 101 CO 0.52 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.65 1avn n GLY 102 N -0.31 -0.16 3.35 2.75 0.00 -1.26 -3.67 105.19 105.89 1avn n GLY 102 Ca 0.01 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 1avn n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1avn s GLN 103 N -1.83 1.13 0.00 1.61 -2.07 -1.14 -4.67 119.66 112.69 1avn s GLN 103 Ca 0.26 -0.95 0.00 0.00 -1.82 0.00 0.00 55.36 52.85 1avn s GLN 103 Cb 0.13 0.43 0.00 0.00 -1.09 0.00 0.00 33.01 32.48 1avn s GLN 103 CO 0.20 -0.43 0.00 0.41 -1.32 0.00 0.00 175.29 174.15 1avn n GLY 104 N -0.22 1.95 3.82 2.60 0.00 -1.14 -3.12 105.19 109.07 1avn n GLY 104 Ca -0.12 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 1avn n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1avn s SER 105 N 0.00 5.54 -0.18 1.61 1.04 -0.86 -3.45 113.70 117.40 1avn s SER 105 Ca 0.00 1.65 -0.14 0.00 0.48 0.00 0.00 55.95 57.94 1avn s SER 105 Cb 0.00 -2.50 -0.08 0.00 0.10 0.00 0.00 66.02 63.53 1avn s SER 105 CO 0.00 -1.33 -0.12 -0.62 0.98 0.00 0.00 173.24 172.15 1avn n GLU 106 N -2.82 0.50 -2.64 4.02 1.02 -1.26 -4.85 120.64 114.61 1avn n GLU 106 Ca 0.08 0.47 -0.33 0.00 -0.02 0.00 0.00 57.16 57.36 1avn n GLU 106 Cb 0.53 -1.65 -0.05 0.00 -0.02 0.00 0.00 31.44 30.25 1avn n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1avn s HIS 107 N -2.39 3.25 0.14 -0.32 3.76 -1.26 -4.45 115.29 114.01 1avn s HIS 107 Ca -0.23 1.57 0.05 0.00 -0.15 0.00 0.00 55.06 56.31 1avn s HIS 107 Cb 0.04 -2.90 -0.04 0.00 1.11 0.00 0.00 32.58 30.80 1avn s HIS 107 CO 0.37 -0.37 -0.12 0.95 -0.85 0.00 0.00 174.74 174.71 1avn s THR 108 N -2.23 1.27 -0.20 1.30 -4.23 -1.18 -4.71 115.64 105.66 1avn s THR 108 Ca 0.63 -1.88 0.01 0.00 -1.18 0.00 0.00 61.69 59.27 1avn s THR 108 Cb -0.11 -1.68 0.03 0.00 1.34 0.00 0.00 72.50 72.08 1avn s THR 108 CO 0.19 -0.57 -0.18 -0.69 -0.54 0.00 0.00 174.62 172.83 1avn s VAL 109 N -2.69 2.10 -1.13 2.29 1.01 -1.00 0.21 120.40 121.19 1avn s VAL 109 Ca 0.13 -1.07 -0.05 0.00 0.00 0.00 0.00 61.98 60.99 1avn s VAL 109 Cb -0.02 -1.95 0.04 0.00 0.00 0.00 0.00 36.38 34.45 1avn s VAL 109 CO 0.02 0.43 0.27 0.47 0.00 0.00 0.00 175.10 176.29 1avn n ASP 110 N 4.58 -3.72 0.00 3.32 8.00 0.11 -0.26 116.55 128.60 1avn n ASP 110 Ca -0.20 -0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.20 1avn n ASP 110 Cb 0.48 -3.12 0.00 0.00 -0.02 0.00 0.00 41.12 38.47 1avn n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1avn n LYS 111 N -3.30 0.00 -2.61 -1.24 4.76 -1.26 -5.01 118.16 109.50 1avn n LYS 111 Ca -0.07 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.95 1avn n LYS 111 Cb 0.57 -2.31 -0.03 0.00 -1.84 0.00 0.00 35.03 31.42 1avn n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1avn s LYS 112 N -0.05 4.49 -0.03 1.97 2.20 0.65 -5.01 119.74 123.96 1avn s LYS 112 Ca 0.00 1.53 -0.09 0.00 -0.36 0.00 0.00 55.97 57.05 1avn s LYS 112 Cb 0.00 -3.45 -0.05 0.00 -1.51 0.00 0.00 37.83 32.82 1avn s LYS 112 CO 0.00 -0.17 0.27 0.15 -0.36 0.00 0.00 175.35 175.23 1avn s LYS 113 N 1.26 3.62 0.49 4.03 1.02 -1.26 -2.36 119.74 126.54 1avn s LYS 113 Ca 0.54 0.03 0.08 0.00 0.02 0.00 0.00 55.97 56.63 1avn s LYS 113 Cb -0.23 -3.14 0.02 0.00 -0.52 0.00 0.00 37.83 33.96 1avn s LYS 113 CO 0.26 0.70 0.51 0.71 -0.92 0.00 0.00 175.35 176.61 1avn s TYR 114 N -1.17 2.12 0.07 3.18 2.02 -1.26 -4.68 117.35 117.62 1avn s TYR 114 Ca 0.23 -0.63 0.24 0.00 -0.37 0.00 0.00 57.07 56.54 1avn s TYR 114 Cb -0.14 -2.14 0.84 0.00 -0.40 0.00 0.00 41.96 40.12 1avn s TYR 114 CO 0.12 -0.50 1.79 0.00 -1.57 0.00 0.00 175.55 175.38 1avn h ALA 115 N 0.70 0.98 -2.71 3.71 0.00 -1.36 -2.25 119.26 118.34 1avn h ALA 115 Ca -0.37 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.44 1avn h ALA 115 Cb 1.28 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 1avn h ALA 115 CO 0.52 0.27 0.37 0.00 0.00 0.00 0.00 179.25 180.41 1avn s ALA 116 N -3.56 -1.34 -0.07 0.00 0.00 -1.17 -3.15 121.76 112.49 1avn s ALA 116 Ca 0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 51.96 51.71 1avn s ALA 116 Cb 0.09 0.73 0.04 0.00 0.00 0.00 0.00 23.12 23.99 1avn s ALA 116 CO 0.64 -1.04 0.14 -2.00 0.00 0.00 0.00 175.76 173.50 1avn s GLU 117 N -3.20 0.05 -0.10 0.00 2.12 -0.61 -1.32 118.70 115.63 1avn s GLU 117 Ca 0.14 0.43 -0.11 0.00 0.36 0.00 0.00 54.97 55.79 1avn s GLU 117 Cb -0.04 -0.24 -0.05 0.00 0.26 0.00 0.00 34.13 34.07 1avn s GLU 117 CO 0.06 -0.23 0.25 -1.17 -0.54 0.00 0.00 175.26 173.63 1avn s LEU 118 N 1.65 4.37 -0.17 2.70 2.96 0.85 -1.69 118.68 129.35 1avn s LEU 118 Ca -0.04 0.60 0.00 0.00 -0.22 0.00 0.00 54.13 54.48 1avn s LEU 118 Cb -0.12 -2.29 0.03 0.00 0.50 0.00 0.00 46.19 44.31 1avn s LEU 118 CO -0.06 0.30 -0.13 -1.00 -1.32 0.00 0.00 176.35 174.15 1avn s HIS 119 N -0.60 2.24 -0.39 5.38 3.76 -0.11 -1.61 115.29 123.96 1avn s HIS 119 Ca 0.17 -1.34 -0.16 0.00 -0.15 0.00 0.00 55.06 53.58 1avn s HIS 119 Cb -0.13 -1.60 0.01 0.00 1.11 0.00 0.00 32.58 31.96 1avn s HIS 119 CO 0.06 -0.69 0.39 -0.51 -0.85 0.00 0.00 174.74 173.14 1avn s LEU 120 N 1.46 4.71 -0.22 0.89 1.02 -0.85 -1.70 118.68 124.00 1avn s LEU 120 Ca 0.03 -0.51 -0.15 0.00 0.02 0.00 0.00 54.13 53.52 1avn s LEU 120 Cb -0.14 -2.34 -0.04 0.00 0.02 0.00 0.00 46.19 43.69 1avn s LEU 120 CO -0.10 -0.46 0.34 -0.69 0.02 0.00 0.00 176.35 175.46 1avn s VAL 121 N 2.03 5.23 0.11 -1.59 1.01 -0.84 -1.18 120.40 125.17 1avn s VAL 121 Ca 0.11 0.57 0.08 0.00 0.00 0.00 0.00 61.98 62.74 1avn s VAL 121 Cb -0.17 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1avn s VAL 121 CO 0.12 0.26 -0.19 -1.00 0.00 0.00 0.00 175.10 174.29 1avn s HIS 122 N 1.38 1.71 0.02 5.22 3.76 0.61 -1.36 115.29 126.62 1avn s HIS 122 Ca 0.16 -0.44 0.07 0.00 -0.15 0.00 0.00 55.06 54.69 1avn s HIS 122 Cb -0.15 -0.92 -0.02 0.00 1.11 0.00 0.00 32.58 32.61 1avn s HIS 122 CO 0.07 0.21 -0.20 1.67 -0.85 0.00 0.00 174.74 175.64 1avn s TRP 123 N -1.42 1.80 -0.17 1.40 1.48 -1.00 -1.22 118.94 119.81 1avn s TRP 123 Ca 0.08 -0.36 -0.29 0.00 -1.06 0.00 0.00 56.10 54.46 1avn s TRP 123 Cb -0.09 -1.11 -0.03 0.00 -1.16 0.00 0.00 33.47 31.08 1avn s TRP 123 CO 0.04 0.04 1.53 1.21 -4.06 0.00 0.00 176.95 175.71 1avn s ASN 124 N -0.86 6.60 0.00 -2.66 3.84 0.17 -1.78 114.94 120.25 1avn s ASN 124 Ca 0.08 1.77 0.15 0.00 0.21 0.00 0.00 52.86 55.06 1avn s ASN 124 Cb -0.08 -2.53 0.86 0.00 -0.55 0.00 0.00 41.25 38.94 1avn s ASN 124 CO 0.01 -1.05 1.30 0.35 -2.79 0.00 0.00 177.10 174.92 1avn n THR 125 N 5.92 0.07 0.24 -5.21 -2.24 -0.94 -2.13 114.28 109.99 1avn n THR 125 Ca 0.17 0.02 0.13 0.00 -2.27 0.00 0.00 64.05 62.09 1avn n THR 125 Cb 0.45 -0.79 0.52 0.00 -2.10 0.00 0.00 70.33 68.41 1avn n THR 125 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1avn h LYS 127 N 0.00 0.00 -0.18 -0.78 2.10 -1.91 0.19 116.57 115.99 1avn h LYS 127 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1avn h LYS 127 Cb 0.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 1avn h LYS 127 CO 0.00 0.13 0.00 0.66 -2.00 0.00 0.00 179.45 178.24 1avn n TYR 128 N -3.26 0.24 0.00 0.07 4.01 -0.90 -4.97 117.16 112.35 1avn n TYR 128 Ca 0.01 -0.12 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 1avn n TYR 128 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.42 1avn n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1avn n GLY 129 N 1.05 0.87 3.63 2.72 0.00 0.05 -4.60 105.19 108.91 1avn n GLY 129 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 1avn n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1avn s ASP 130 N 0.00 -0.12 0.15 1.61 1.47 -1.26 -5.05 116.67 113.47 1avn s ASP 130 Ca 0.00 -0.87 -0.13 0.00 1.18 0.00 0.00 52.55 52.74 1avn s ASP 130 Cb 0.00 0.61 0.03 0.00 -0.34 0.00 0.00 42.92 43.21 1avn s ASP 130 CO 0.00 -1.17 1.63 0.15 0.68 0.00 0.00 175.17 176.46 1avn h PHE 131 N 2.22 0.91 -0.84 2.11 3.57 -1.94 -2.75 116.94 120.22 1avn h PHE 131 Ca -0.25 -0.13 0.08 0.00 3.53 0.00 0.00 57.97 61.20 1avn h PHE 131 Cb 1.25 -0.25 -0.07 0.00 2.79 0.00 0.00 35.95 39.67 1avn h PHE 131 CO 0.40 0.83 0.50 0.78 -2.23 0.00 0.00 178.31 178.59 1avn h GLY 132 N 0.72 1.30 1.87 2.40 0.00 -1.97 -1.96 103.07 105.44 1avn h GLY 132 Ca 0.15 -0.34 -0.20 0.00 0.00 0.00 0.00 47.33 46.94 1avn h GLY 132 CO 0.01 0.18 -0.90 0.50 0.00 0.00 0.00 176.54 176.33 1avn h LYS 133 N 0.86 0.11 0.00 4.80 1.79 -1.83 -3.32 116.57 118.98 1avn h LYS 133 Ca 0.39 -0.13 -0.09 0.00 -2.18 0.00 0.00 60.65 58.65 1avn h LYS 133 Cb 0.30 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.98 1avn h LYS 133 CO -0.22 0.93 -0.42 0.00 -1.08 0.00 0.00 179.45 178.66 1avn h ALA 134 N 1.02 1.28 -0.13 3.86 0.00 -1.05 -2.96 119.26 121.28 1avn h ALA 134 Ca -0.03 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1avn h ALA 134 Cb 1.55 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1avn h ALA 134 CO 0.13 0.52 0.00 1.33 0.00 0.00 0.00 179.25 181.23 1avn n VAL 135 N -4.00 0.44 0.14 0.00 0.24 -0.97 -2.02 118.33 112.15 1avn n VAL 135 Ca -0.02 -0.26 0.03 0.00 -2.04 0.00 0.00 64.34 62.05 1avn n VAL 135 Cb 0.45 -0.25 0.04 0.00 -1.47 0.00 0.00 33.84 32.61 1avn n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1avn n GLN 136 N 0.06 0.79 -4.64 7.34 1.13 -1.12 -4.96 117.38 115.98 1avn n GLN 136 Ca 0.06 -1.14 -0.23 0.00 -1.94 0.00 0.00 57.00 53.74 1avn n GLN 136 Cb 0.33 -1.12 -0.14 0.00 0.11 0.00 0.00 30.24 29.42 1avn n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1avn s GLN 137 N -0.64 1.25 0.65 -1.09 -1.52 -0.86 -5.03 119.66 112.42 1avn s GLN 137 Ca 0.08 -0.72 0.39 0.00 -1.95 0.00 0.00 55.36 53.16 1avn s GLN 137 Cb 0.05 -1.26 2.14 0.00 -0.22 0.00 0.00 33.01 33.72 1avn s GLN 137 CO 0.07 0.33 2.24 -1.00 -0.25 0.00 0.00 175.29 176.69 1avn h PRO 138 N 5.32 0.00 0.00 2.91 0.13 -1.86 -1.65 132.00 136.85 1avn h PRO 138 Ca -0.38 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.74 1avn h PRO 138 Cb 1.16 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 1avn h PRO 138 CO 0.46 0.00 -0.51 -0.40 -0.23 0.00 0.00 178.00 177.32 1avn n ASP 139 N -3.18 1.69 0.18 1.44 5.75 -1.26 -4.48 116.55 116.69 1avn n ASP 139 Ca -0.02 -3.72 0.03 0.00 -0.01 0.00 0.00 54.79 51.07 1avn n ASP 139 Cb 0.16 -0.51 0.34 0.00 -1.03 0.00 0.00 41.12 40.09 1avn n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1avn h GLY 140 N 0.94 0.00 -3.70 6.12 0.00 -1.17 -3.43 103.07 101.83 1avn h GLY 140 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 46.91 1avn h GLY 140 CO 0.01 0.00 -0.76 1.08 0.00 0.00 0.00 176.54 176.87 1avn s LEU 141 N -7.72 2.39 -0.06 3.11 1.43 -0.84 0.46 118.68 117.45 1avn s LEU 141 Ca -0.02 -0.79 -0.00 0.00 -1.03 0.00 0.00 54.13 52.28 1avn s LEU 141 Cb 0.13 -0.52 0.03 0.00 0.03 0.00 0.00 46.19 45.85 1avn s LEU 141 CO 0.71 -0.15 -0.01 0.00 0.23 0.00 0.00 176.35 177.13 1avn s ALA 142 N -2.10 0.67 -0.24 4.21 0.00 -0.36 -1.41 121.76 122.53 1avn s ALA 142 Ca 0.08 -0.09 -0.04 0.00 0.00 0.00 0.00 51.96 51.91 1avn s ALA 142 Cb -0.05 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.46 1avn s ALA 142 CO 0.03 -0.29 -0.03 0.08 0.00 0.00 0.00 175.76 175.55 1avn s VAL 143 N 1.56 3.35 -0.32 0.00 1.01 -1.10 -0.28 120.40 124.61 1avn s VAL 143 Ca -0.01 -0.67 -0.20 0.00 0.00 0.00 0.00 61.98 61.10 1avn s VAL 143 Cb -0.13 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.64 1avn s VAL 143 CO -0.03 0.30 0.62 -0.22 0.00 0.00 0.00 175.10 175.77 1avn s LEU 144 N 1.44 4.19 -0.10 3.92 2.96 -0.33 -2.07 118.68 128.70 1avn s LEU 144 Ca 0.04 0.31 -0.02 0.00 -0.22 0.00 0.00 54.13 54.24 1avn s LEU 144 Cb -0.15 -2.79 -0.03 0.00 0.50 0.00 0.00 46.19 43.72 1avn s LEU 144 CO -0.03 -0.51 -0.02 -0.83 -1.32 0.00 0.00 176.35 173.64 1avn s GLY 145 N 1.70 1.79 -0.04 7.98 0.00 0.17 -2.00 107.32 116.92 1avn s GLY 145 Ca 0.24 -0.82 0.01 0.00 0.00 0.00 0.00 44.72 44.15 1avn s GLY 145 CO 0.13 -0.45 -0.03 -0.42 0.00 0.00 0.00 173.10 172.33 1avn s ILE 146 N -0.54 0.44 0.33 0.90 1.01 -0.63 -1.04 121.20 121.66 1avn s ILE 146 Ca 0.09 -0.05 -0.24 0.00 0.00 0.00 0.00 60.65 60.45 1avn s ILE 146 Cb -0.12 -0.49 -0.10 0.00 0.01 0.00 0.00 42.46 41.76 1avn s ILE 146 CO 0.02 0.21 0.91 -0.36 0.00 0.00 0.00 174.94 175.72 1avn s PHE 147 N 1.02 3.61 -0.12 3.97 0.08 -1.26 -0.11 117.98 125.17 1avn s PHE 147 Ca -0.10 1.68 0.02 0.00 0.12 0.00 0.00 56.93 58.66 1avn s PHE 147 Cb -0.14 -2.86 -0.00 0.00 -0.57 0.00 0.00 43.02 39.45 1avn s PHE 147 CO -0.01 0.16 -0.20 -0.51 -0.10 0.00 0.00 175.22 174.57 1avn s LEU 148 N -2.28 2.31 0.14 -0.37 1.02 -0.44 -1.23 118.68 117.84 1avn s LEU 148 Ca 0.52 -0.49 0.08 0.00 0.02 0.00 0.00 54.13 54.26 1avn s LEU 148 Cb -0.16 -1.49 -0.04 0.00 0.02 0.00 0.00 46.19 44.52 1avn s LEU 148 CO 0.21 0.15 -0.08 -1.59 0.02 0.00 0.00 176.35 175.06 1avn s LYS 149 N 0.43 2.16 -0.27 1.70 -2.85 -0.50 -1.56 119.74 118.85 1avn s LYS 149 Ca -0.14 -1.12 -0.22 0.00 -1.00 0.00 0.00 55.97 53.48 1avn s LYS 149 Cb -0.17 -2.27 -0.01 0.00 -2.06 0.00 0.00 37.83 33.32 1avn s LYS 149 CO 0.06 0.47 0.72 0.08 0.10 0.00 0.00 175.35 176.78 1avn s VAL 150 N -1.48 4.90 0.00 1.79 1.01 -1.26 -1.55 120.40 123.80 1avn s VAL 150 Ca 0.24 1.24 0.00 0.00 0.00 0.00 0.00 61.98 63.45 1avn s VAL 150 Cb -0.10 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.24 1avn s VAL 150 CO 0.15 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.79 1avn n GLY 151 N 4.08 2.72 3.82 4.51 0.00 -0.05 -4.89 105.19 115.37 1avn n GLY 151 Ca 0.02 0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1avn n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1avn s SER 152 N 1.96 6.25 0.44 1.61 0.01 -1.26 -4.06 113.70 118.64 1avn s SER 152 Ca 0.00 1.74 -0.24 0.00 1.31 0.00 0.00 55.95 58.76 1avn s SER 152 Cb 0.00 -2.53 -0.08 0.00 0.21 0.00 0.00 66.02 63.62 1avn s SER 152 CO 0.00 -0.84 1.21 0.00 0.41 0.00 0.00 173.24 174.02 1avn s ALA 153 N -2.41 3.06 -0.44 1.44 0.00 -1.26 -2.27 121.76 119.88 1avn s ALA 153 Ca 0.62 1.04 -0.15 0.00 0.00 0.00 0.00 51.96 53.47 1avn s ALA 153 Cb -0.13 -3.42 0.04 0.00 0.00 0.00 0.00 23.12 19.61 1avn s ALA 153 CO 0.30 -0.72 0.35 0.21 0.00 0.00 0.00 175.76 175.90 1avn s LYS 154 N -2.51 2.98 0.18 0.00 2.47 -1.25 -4.78 119.74 116.83 1avn s LYS 154 Ca 0.61 -1.15 -0.13 0.00 -1.56 0.00 0.00 55.97 53.74 1avn s LYS 154 Cb -0.32 -4.05 0.13 0.00 -1.46 0.00 0.00 37.83 32.14 1avn s LYS 154 CO 0.40 -0.88 1.80 -1.35 0.16 0.00 0.00 175.35 175.47 1avn h PRO 155 N 8.69 0.54 0.00 4.03 0.11 -1.92 -2.33 132.00 141.13 1avn h PRO 155 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1avn h PRO 155 Cb 1.12 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1avn h PRO 155 CO 0.80 0.36 0.00 0.78 -0.21 0.00 0.00 178.00 179.73 1avn h GLY 156 N 0.56 0.00 0.95 -0.55 0.00 -1.95 -2.08 103.07 100.00 1avn h GLY 156 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1avn h GLY 156 CO -0.14 0.00 -0.93 -0.10 0.00 0.00 0.00 176.54 175.37 1avn n LEU 157 N -2.29 0.75 -0.10 3.11 7.94 -0.88 -4.43 117.00 121.10 1avn n LEU 157 Ca -0.01 0.24 0.09 0.00 -1.11 0.00 0.00 56.01 55.22 1avn n LEU 157 Cb 0.06 -0.10 0.45 0.00 0.53 0.00 0.00 43.42 44.36 1avn n LEU 157 CO 0.11 -0.11 1.19 -0.61 -1.11 0.00 0.00 177.39 176.86 1avn h GLN 158 N 0.00 0.50 -0.29 1.96 5.75 -1.43 -0.96 115.11 120.64 1avn h GLN 158 Ca 0.00 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1avn h GLN 158 Cb 0.89 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.31 1avn h GLN 158 CO 0.00 0.33 0.18 -0.22 -2.65 0.00 0.00 178.83 176.48 1avn h LYS 159 N 0.52 0.39 -0.04 1.69 3.64 -1.78 -0.51 116.57 120.47 1avn h LYS 159 Ca 0.27 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.56 1avn h LYS 159 Cb 0.39 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1avn h LYS 159 CO -0.08 0.27 -0.22 0.28 -2.27 0.00 0.00 179.45 177.43 1avn h VAL 160 N 0.40 1.46 -0.52 2.00 2.07 -1.47 -3.22 116.25 116.97 1avn h VAL 160 Ca 0.11 -1.69 0.05 0.00 0.82 0.00 0.00 66.70 65.99 1avn h VAL 160 Cb -0.03 2.43 -0.05 0.00 -1.52 0.00 0.00 31.29 32.13 1avn h VAL 160 CO -0.02 0.47 0.25 0.58 0.02 0.00 0.00 177.57 178.87 1avn h VAL 161 N -0.33 0.93 0.00 2.57 2.07 -1.03 -2.67 116.25 117.80 1avn h VAL 161 Ca -0.01 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1avn h VAL 161 Cb 0.88 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1avn h VAL 161 CO 0.05 0.09 -0.03 0.44 0.02 0.00 0.00 177.57 178.14 1avn h ASP 162 N 0.49 0.00 0.63 0.57 3.32 -1.20 -2.99 116.42 117.25 1avn h ASP 162 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1avn h ASP 162 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1avn h ASP 162 CO -0.17 0.03 -0.71 0.52 -1.72 0.00 0.00 179.24 177.19 1avn n VAL 163 N -3.17 0.20 0.23 -1.35 0.31 -1.01 -4.42 118.33 109.11 1avn n VAL 163 Ca -0.01 -0.18 0.13 0.00 -0.01 0.00 0.00 64.34 64.27 1avn n VAL 163 Cb 0.25 0.09 0.76 0.00 -0.91 0.00 0.00 33.84 34.03 1avn n VAL 163 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1avn h LEU 164 N 0.00 0.00 -1.40 7.52 3.38 -1.50 -2.63 115.31 120.68 1avn h LEU 164 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1avn h LEU 164 Cb 0.67 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 1avn h LEU 164 CO 0.00 0.00 0.48 0.44 0.09 0.00 0.00 178.44 179.45 1avn h ASP 165 N 0.00 0.61 -0.08 -0.43 3.32 -1.79 -1.34 116.42 116.71 1avn h ASP 165 Ca 0.04 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1avn h ASP 165 Cb 0.20 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1avn h ASP 165 CO -0.00 0.38 0.00 -1.54 -1.72 0.00 0.00 179.24 176.36 1avn n SER 166 N -4.49 1.30 -1.99 6.45 3.41 -0.99 -3.89 113.62 113.42 1avn n SER 166 Ca 0.12 -1.55 -0.01 0.00 -0.26 0.00 0.00 58.87 57.16 1avn n SER 166 Cb 0.29 -0.05 0.06 0.00 -0.26 0.00 0.00 64.21 64.25 1avn n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1avn n ILE 167 N 0.05 1.14 -0.35 -1.33 -5.35 -0.52 -4.73 119.36 108.27 1avn n ILE 167 Ca 0.18 -2.51 0.04 0.00 -0.27 0.00 0.00 62.75 60.19 1avn n ILE 167 Cb 0.29 0.65 0.19 0.00 -1.74 0.00 0.00 39.64 39.04 1avn n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1avn h LYS 168 N 1.80 1.02 -6.06 6.28 3.64 -1.62 -3.41 116.57 118.22 1avn h LYS 168 Ca -0.08 -0.06 -0.60 0.00 -1.27 0.00 0.00 60.65 58.64 1avn h LYS 168 Cb 1.49 -0.23 -0.12 0.00 -0.41 0.00 0.00 32.23 32.96 1avn h LYS 168 CO 0.22 0.67 -0.67 0.95 -2.27 0.00 0.00 179.45 178.35 1avn s THR 169 N -6.01 2.57 -0.00 1.00 -4.23 -1.26 -0.01 115.64 107.69 1avn s THR 169 Ca -0.12 -2.13 -0.34 0.00 -1.18 0.00 0.00 61.69 57.91 1avn s THR 169 Cb 0.21 -2.65 -0.13 0.00 1.34 0.00 0.00 72.50 71.27 1avn s THR 169 CO 0.81 -0.26 1.74 1.17 -0.54 0.00 0.00 174.62 177.53 1avn n LYS 170 N -0.83 2.07 0.00 3.99 4.81 -0.08 -2.04 118.16 126.09 1avn n LYS 170 Ca -0.05 0.75 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 1avn n LYS 170 Cb 0.62 -2.56 0.00 0.00 0.02 0.00 0.00 35.03 33.11 1avn n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1avn n GLY 171 N 3.96 2.90 3.81 3.14 0.00 -0.08 -4.49 105.19 114.43 1avn n GLY 171 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1avn n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1avn s LYS 172 N -0.85 3.88 0.03 1.61 1.02 -0.86 -4.85 119.74 119.71 1avn s LYS 172 Ca 0.00 1.25 -0.03 0.00 0.02 0.00 0.00 55.97 57.20 1avn s LYS 172 Cb 0.00 -2.11 -0.02 0.00 -0.52 0.00 0.00 37.83 35.18 1avn s LYS 172 CO 0.00 -0.35 0.04 -1.54 -0.92 0.00 0.00 175.35 172.59 1avn s SER 173 N -2.21 0.23 0.01 2.83 1.04 -1.26 -0.92 113.70 113.42 1avn s SER 173 Ca 0.65 -0.55 -0.01 0.00 0.48 0.00 0.00 55.95 56.51 1avn s SER 173 Cb -0.14 0.18 -0.01 0.00 0.10 0.00 0.00 66.02 66.15 1avn s SER 173 CO 0.21 -0.44 0.00 0.00 0.98 0.00 0.00 173.24 173.99 1avn s ALA 174 N -2.29 0.04 0.23 5.32 0.00 -0.22 -4.97 121.76 119.87 1avn s ALA 174 Ca -0.08 -0.45 -0.30 0.00 0.00 0.00 0.00 51.96 51.13 1avn s ALA 174 Cb -0.03 0.12 -0.09 0.00 0.00 0.00 0.00 23.12 23.12 1avn s ALA 174 CO -0.03 -0.15 1.22 -0.51 0.00 0.00 0.00 175.76 176.28 1avn s ASP 175 N -1.28 7.04 -0.46 0.00 1.01 -1.26 -0.41 116.67 121.31 1avn s ASP 175 Ca -0.14 2.35 0.05 0.00 0.71 0.00 0.00 52.55 55.52 1avn s ASP 175 Cb -0.09 -2.62 0.18 0.00 1.01 0.00 0.00 42.92 41.41 1avn s ASP 175 CO -0.01 -0.38 0.51 0.33 0.21 0.00 0.00 175.17 175.84 1avn n PHE 176 N 1.95 -2.21 -3.57 4.23 7.35 -0.30 -4.76 117.46 120.16 1avn n PHE 176 Ca 0.03 -2.46 -0.20 0.00 -0.76 0.00 0.00 57.45 54.07 1avn n PHE 176 Cb 0.44 0.80 -0.01 0.00 0.35 0.00 0.00 39.48 41.05 1avn n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1avn s THR 177 N 0.40 3.97 -1.68 -2.13 -4.23 -1.26 -3.13 115.64 107.59 1avn s THR 177 Ca 0.32 -1.09 -0.01 0.00 -1.18 0.00 0.00 61.69 59.73 1avn s THR 177 Cb 0.03 -3.37 0.00 0.00 1.34 0.00 0.00 72.50 70.50 1avn s THR 177 CO -0.13 -0.17 0.10 0.59 -0.54 0.00 0.00 174.62 174.47 1avn n ASN 178 N -1.56 -5.78 -4.71 3.99 4.13 -1.26 -4.94 115.26 105.13 1avn n ASN 178 Ca -0.01 -0.06 -0.39 0.00 1.68 0.00 0.00 54.58 55.80 1avn n ASN 178 Cb 0.58 -4.76 -0.06 0.00 -1.54 0.00 0.00 39.78 34.00 1avn n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1avn s PHE 179 N -3.03 3.51 -0.40 3.10 5.36 -1.26 -4.99 117.98 120.27 1avn s PHE 179 Ca 0.05 0.99 -0.16 0.00 -0.96 0.00 0.00 56.93 56.86 1avn s PHE 179 Cb -0.02 -2.66 0.01 0.00 -0.34 0.00 0.00 43.02 40.01 1avn s PHE 179 CO 0.06 0.09 0.37 0.34 -1.46 0.00 0.00 175.22 174.62 1avn s ASP 180 N 0.77 6.16 0.08 6.13 -1.08 -1.26 -4.34 116.67 123.13 1avn s ASP 180 Ca 0.30 -0.66 0.16 0.00 -0.52 0.00 0.00 52.55 51.83 1avn s ASP 180 Cb -0.16 -2.19 0.67 0.00 -1.46 0.00 0.00 42.92 39.78 1avn s ASP 180 CO 0.13 -0.47 1.49 -0.81 0.52 0.00 0.00 175.17 176.02 1avn n PRO 181 N 5.39 0.06 0.32 4.34 -0.04 -1.26 -2.68 135.00 141.12 1avn n PRO 181 Ca -0.09 0.35 0.21 0.00 -0.04 0.00 0.00 63.50 63.92 1avn n PRO 181 Cb 0.48 -1.62 1.03 0.00 -0.04 0.00 0.00 33.50 33.35 1avn n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1avn h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.93 -1.30 114.38 114.77 1avn h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1avn h ARG 182 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1avn h ARG 182 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1avn n GLY 183 N -0.72 -1.13 0.96 0.04 0.00 -1.09 -2.65 105.19 100.60 1avn n GLY 183 Ca -0.02 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.01 1avn n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1avn n LEU 184 N -1.37 3.07 -4.83 0.99 4.77 -0.49 -4.40 117.00 114.74 1avn n LEU 184 Ca 0.09 -1.31 -0.37 0.00 -0.03 0.00 0.00 56.01 54.39 1avn n LEU 184 Cb 0.21 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 1avn n LEU 184 CO 0.19 0.61 0.21 -0.76 -1.33 0.00 0.00 177.39 176.31 1avn s LEU 185 N -1.53 4.45 1.14 2.23 1.43 -1.08 -4.94 118.68 120.37 1avn s LEU 185 Ca 0.31 1.11 -0.17 0.00 -1.03 0.00 0.00 54.13 54.34 1avn s LEU 185 Cb 0.19 -2.95 0.26 0.00 0.03 0.00 0.00 46.19 43.72 1avn s LEU 185 CO 0.27 0.23 1.11 -2.16 0.23 0.00 0.00 176.35 176.03 1avn s PRO 186 N -1.42 -0.70 0.08 1.29 0.04 -1.26 -4.97 135.00 128.06 1avn s PRO 186 Ca 0.31 0.08 -0.15 0.00 0.04 0.00 0.00 61.00 61.28 1avn s PRO 186 Cb -0.17 -1.64 -0.15 0.00 0.04 0.00 0.00 34.50 32.58 1avn s PRO 186 CO 0.18 -3.40 1.30 1.49 0.04 0.00 0.00 177.00 176.61 1avn h GLU 187 N -2.36 0.68 -6.03 4.56 4.81 -1.92 -3.45 114.58 110.87 1avn h GLU 187 Ca -0.48 -0.51 -0.61 0.00 -0.13 0.00 0.00 59.36 57.64 1avn h GLU 187 Cb 1.30 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.73 1avn h GLU 187 CO 0.41 1.13 -0.26 0.45 -0.73 0.00 0.00 179.01 180.01 1avn s SER 188 N -6.83 6.67 -0.25 1.04 0.15 -1.26 -5.01 113.70 108.21 1avn s SER 188 Ca -0.12 0.81 0.13 0.00 0.70 0.00 0.00 55.95 57.47 1avn s SER 188 Cb 0.07 -2.19 0.60 0.00 -1.71 0.00 0.00 66.02 62.80 1avn s SER 188 CO 0.86 0.25 1.56 0.18 1.20 0.00 0.00 173.24 177.29 1avn n LEU 189 N 1.30 4.68 -4.76 3.45 4.77 -1.26 -4.72 117.00 120.46 1avn n LEU 189 Ca -0.11 -3.27 -0.41 0.00 -0.03 0.00 0.00 56.01 52.20 1avn n LEU 189 Cb 0.53 -0.63 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 1avn n LEU 189 CO 0.40 0.86 0.92 -1.81 -1.33 0.00 0.00 177.39 176.42 1avn s ASP 190 N -1.79 6.97 0.27 -1.43 1.01 -1.26 -4.74 116.67 115.70 1avn s ASP 190 Ca 0.47 2.46 -0.04 0.00 0.71 0.00 0.00 52.55 56.15 1avn s ASP 190 Cb 0.39 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.67 1avn s ASP 190 CO 0.08 -0.41 0.35 -0.72 0.21 0.00 0.00 175.17 174.69 1avn s TYR 191 N -0.75 0.93 -0.01 4.23 -0.85 -1.26 -1.50 117.35 118.15 1avn s TYR 191 Ca 0.50 -1.17 0.08 0.00 -0.52 0.00 0.00 57.07 55.96 1avn s TYR 191 Cb -0.36 -0.20 -0.02 0.00 0.38 0.00 0.00 41.96 41.75 1avn s TYR 191 CO 0.45 -0.91 -0.26 -1.58 -1.52 0.00 0.00 175.55 171.73 1avn s TRP 192 N -3.74 2.34 -0.02 -3.49 0.51 -0.72 0.36 118.94 114.18 1avn s TRP 192 Ca 0.32 -0.42 0.02 0.00 -2.12 0.00 0.00 56.10 53.89 1avn s TRP 192 Cb 0.02 -1.48 0.01 0.00 -0.81 0.00 0.00 33.47 31.21 1avn s TRP 192 CO 0.15 0.01 -0.06 -0.08 -0.51 0.00 0.00 176.95 176.46 1avn s THR 193 N -0.66 0.55 0.14 2.01 -1.32 0.17 -1.07 115.64 115.45 1avn s THR 193 Ca 0.10 -0.22 -0.19 0.00 -1.21 0.00 0.00 61.69 60.18 1avn s THR 193 Cb -0.10 -0.52 0.05 0.00 -1.51 0.00 0.00 72.50 70.42 1avn s THR 193 CO -0.00 0.19 0.48 -0.72 -2.21 0.00 0.00 174.62 172.36 1avn s TYR 194 N 0.35 -0.34 -0.11 9.09 1.13 -1.09 -1.10 117.35 125.28 1avn s TYR 194 Ca -0.05 0.07 -0.30 0.00 -1.41 0.00 0.00 57.07 55.39 1avn s TYR 194 Cb -0.09 0.38 -0.01 0.00 -1.10 0.00 0.00 41.96 41.14 1avn s TYR 194 CO 0.00 -0.76 1.01 -1.25 -2.51 0.00 0.00 175.55 172.04 1avn s PRO 195 N -3.77 4.42 0.00 -3.49 0.04 -1.26 -1.24 135.00 129.70 1avn s PRO 195 Ca 0.02 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1avn s PRO 195 Cb 0.01 -3.54 0.00 0.00 0.04 0.00 0.00 34.50 31.00 1avn s PRO 195 CO -0.12 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.01 1avn n GLY 196 N 3.09 4.34 3.45 0.56 0.00 -0.24 -4.82 105.19 111.58 1avn n GLY 196 Ca 0.09 -0.84 -0.24 0.00 0.00 0.00 0.00 46.02 45.03 1avn n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1avn s SER 197 N 1.51 2.47 0.55 1.61 1.04 -0.91 -2.18 113.70 117.79 1avn s SER 197 Ca 0.00 -1.71 -0.19 0.00 0.48 0.00 0.00 55.95 54.53 1avn s SER 197 Cb 0.00 0.54 -0.06 0.00 0.10 0.00 0.00 66.02 66.60 1avn s SER 197 CO 0.00 -0.98 1.13 -0.76 0.98 0.00 0.00 173.24 173.61 1avn s LEU 198 N -3.54 3.73 0.00 2.42 1.43 -0.98 -4.51 118.68 117.22 1avn s LEU 198 Ca 0.28 2.16 0.23 0.00 -1.03 0.00 0.00 54.13 55.77 1avn s LEU 198 Cb 0.02 -4.58 0.31 0.00 0.03 0.00 0.00 46.19 41.97 1avn s LEU 198 CO 0.18 -1.23 1.32 0.35 0.23 0.00 0.00 176.35 177.20 1avn n THR 199 N -1.35 0.26 -4.30 5.49 -2.24 -1.26 -4.37 114.28 106.51 1avn n THR 199 Ca 0.11 -0.63 -0.21 0.00 -2.27 0.00 0.00 64.05 61.05 1avn n THR 199 Cb 0.51 1.23 -0.11 0.00 -2.10 0.00 0.00 70.33 69.85 1avn n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1avn s THR 200 N -1.70 1.69 0.45 4.28 -4.23 -1.26 -4.72 115.64 110.14 1avn s THR 200 Ca 0.33 -1.78 -0.24 0.00 -1.18 0.00 0.00 61.69 58.82 1avn s THR 200 Cb 0.21 -1.70 -0.10 0.00 1.34 0.00 0.00 72.50 72.25 1avn s THR 200 CO 0.30 -0.27 1.05 -2.65 -0.54 0.00 0.00 174.62 172.51 1avn n PRO 201 N 0.54 1.40 0.00 3.99 -0.02 -1.26 -0.57 135.00 139.08 1avn n PRO 201 Ca -0.15 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1avn n PRO 201 Cb 0.56 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1avn n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1avn n PRO 202 N -0.03 0.83 -2.59 0.52 -0.04 -1.26 -5.00 135.00 127.43 1avn n PRO 202 Ca 0.09 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.39 1avn n PRO 202 Cb 0.40 -1.19 -0.00 0.00 -0.04 0.00 0.00 33.50 32.67 1avn n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1avn n LEU 203 N -0.24 -1.48 -4.69 1.53 4.77 0.26 -4.89 117.00 112.26 1avn n LEU 203 Ca 0.00 0.04 -0.43 0.00 -0.03 0.00 0.00 56.01 55.60 1avn n LEU 203 Cb 0.09 -2.37 -0.03 0.00 -2.33 0.00 0.00 43.42 38.78 1avn n LEU 203 CO 0.00 -0.08 1.45 0.18 -1.33 0.00 0.00 177.39 177.61 1avn n LEU 204 N -3.06 3.99 -3.56 2.23 4.77 -1.26 -4.41 117.00 115.70 1avn n LEU 204 Ca -0.15 1.00 -0.41 0.00 -0.03 0.00 0.00 56.01 56.43 1avn n LEU 204 Cb 0.62 -1.54 -0.01 0.00 -2.33 0.00 0.00 43.42 40.15 1avn n LEU 204 CO 0.26 0.16 2.96 -0.62 -1.33 0.00 0.00 177.39 178.81 1avn n GLU 205 N 5.29 3.15 -0.02 3.23 1.02 -1.26 -2.33 120.64 129.72 1avn n GLU 205 Ca 0.18 -2.42 0.02 0.00 -0.02 0.00 0.00 57.16 54.92 1avn n GLU 205 Cb 0.36 -3.08 0.03 0.00 -0.02 0.00 0.00 31.44 28.73 1avn n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1avn s VAL 207 N -0.51 4.56 -0.39 0.00 1.01 -0.92 -1.98 120.40 122.17 1avn s VAL 207 Ca 0.06 -0.14 -0.15 0.00 0.00 0.00 0.00 61.98 61.75 1avn s VAL 207 Cb 0.04 -2.96 0.01 0.00 0.00 0.00 0.00 36.38 33.47 1avn s VAL 207 CO 0.05 0.58 0.30 -0.89 0.00 0.00 0.00 175.10 175.14 1avn s THR 208 N -0.66 5.25 0.04 3.92 2.01 -0.50 -1.08 115.64 124.62 1avn s THR 208 Ca 0.11 -0.51 -0.23 0.00 0.31 0.00 0.00 61.69 61.37 1avn s THR 208 Cb -0.12 -3.88 -0.06 0.00 0.01 0.00 0.00 72.50 68.45 1avn s THR 208 CO 0.02 -0.24 0.70 0.26 -0.69 0.00 0.00 174.62 174.68 1avn s TRP 209 N 1.73 3.74 -0.37 4.92 0.52 -0.37 -2.69 118.94 126.42 1avn s TRP 209 Ca 0.06 1.39 0.02 0.00 0.02 0.00 0.00 56.10 57.59 1avn s TRP 209 Cb -0.18 -2.73 0.11 0.00 -1.15 0.00 0.00 33.47 29.52 1avn s TRP 209 CO 0.10 0.34 0.12 0.42 0.02 0.00 0.00 176.95 177.96 1avn s ILE 210 N -0.27 1.68 -0.38 2.03 1.01 -0.88 -2.69 121.20 121.69 1avn s ILE 210 Ca 0.35 -2.16 -0.13 0.00 0.00 0.00 0.00 60.65 58.72 1avn s ILE 210 Cb -0.20 -2.23 0.02 0.00 0.01 0.00 0.00 42.46 40.06 1avn s ILE 210 CO 0.21 -0.70 0.25 -0.69 0.00 0.00 0.00 174.94 174.01 1avn s VAL 211 N 0.93 4.98 0.24 2.92 1.01 -0.24 0.43 120.40 130.67 1avn s VAL 211 Ca 0.12 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 1avn s VAL 211 Cb -0.20 -3.73 -0.09 0.00 0.00 0.00 0.00 36.38 32.36 1avn s VAL 211 CO -0.12 -0.22 1.27 -0.76 0.00 0.00 0.00 175.10 175.27 1avn s LEU 212 N 1.64 4.44 0.13 3.92 1.43 -0.21 -1.75 118.68 128.28 1avn s LEU 212 Ca 0.04 2.44 -0.14 0.00 -1.03 0.00 0.00 54.13 55.44 1avn s LEU 212 Cb -0.19 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.39 1avn s LEU 212 CO 0.09 -0.46 1.57 0.50 0.23 0.00 0.00 176.35 178.27 1avn h LYS 213 N 4.66 0.72 -5.73 1.70 3.64 -1.60 -3.42 116.57 116.53 1avn h LYS 213 Ca -0.46 -0.23 -0.59 0.00 -1.27 0.00 0.00 60.65 58.10 1avn h LYS 213 Cb 1.22 -0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 32.89 1avn h LYS 213 CO 0.73 0.81 0.10 -2.00 -2.27 0.00 0.00 179.45 176.82 1avn s GLU 214 N -5.00 4.26 0.65 1.90 2.12 -1.26 -5.00 118.70 116.36 1avn s GLU 214 Ca -0.13 0.66 -0.11 0.00 0.36 0.00 0.00 54.97 55.75 1avn s GLU 214 Cb 0.10 -3.55 -0.02 0.00 0.26 0.00 0.00 34.13 30.93 1avn s GLU 214 CO 0.80 -0.16 1.05 -1.25 -0.54 0.00 0.00 175.26 175.15 1avn s PRO 215 N 1.65 3.32 0.18 4.30 0.05 -1.26 -4.65 135.00 138.58 1avn s PRO 215 Ca 0.30 0.76 0.04 0.00 0.05 0.00 0.00 61.00 62.15 1avn s PRO 215 Cb -0.16 -2.05 -0.04 0.00 0.05 0.00 0.00 34.50 32.31 1avn s PRO 215 CO 0.11 -0.77 0.23 0.96 0.05 0.00 0.00 177.00 177.58 1avn s ILE 216 N -3.17 4.90 0.00 0.56 -4.36 -0.37 -4.88 121.20 113.88 1avn s ILE 216 Ca 0.56 -0.95 -0.06 0.00 -0.26 0.00 0.00 60.65 59.94 1avn s ILE 216 Cb -0.12 -3.55 -0.05 0.00 1.25 0.00 0.00 42.46 40.00 1avn s ILE 216 CO 0.54 -0.16 0.25 -0.44 0.24 0.00 0.00 174.94 175.37 1avn s SER 217 N -3.35 6.47 0.09 4.36 0.01 -1.26 -1.41 113.70 118.61 1avn s SER 217 Ca 0.33 0.52 0.05 0.00 1.31 0.00 0.00 55.95 58.15 1avn s SER 217 Cb -0.10 -2.07 -0.03 0.00 0.21 0.00 0.00 66.02 64.02 1avn s SER 217 CO 0.26 0.26 -0.13 0.68 0.41 0.00 0.00 173.24 174.72 1avn s VAL 218 N -1.30 1.08 0.60 3.43 -7.23 -0.60 -3.74 120.40 112.63 1avn s VAL 218 Ca 0.27 -1.48 -0.11 0.00 -1.81 0.00 0.00 61.98 58.86 1avn s VAL 218 Cb -0.13 -1.23 -0.04 0.00 0.56 0.00 0.00 36.38 35.54 1avn s VAL 218 CO 0.16 -0.37 1.00 -0.94 -0.31 0.00 0.00 175.10 174.63 1avn s SER 219 N -2.10 6.26 0.29 4.85 1.04 -1.14 -0.87 113.70 122.02 1avn s SER 219 Ca 0.02 1.36 0.00 0.00 0.48 0.00 0.00 55.95 57.82 1avn s SER 219 Cb -0.07 -2.44 0.51 0.00 0.10 0.00 0.00 66.02 64.11 1avn s SER 219 CO 0.02 -0.82 1.89 -1.28 0.98 0.00 0.00 173.24 174.03 1avn h SER 220 N -0.18 0.94 -0.70 7.02 0.87 -1.93 -1.74 113.55 117.83 1avn h SER 220 Ca -0.45 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.09 1avn h SER 220 Cb 1.19 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.93 1avn h SER 220 CO 0.62 0.59 0.30 -0.33 -0.53 0.00 0.00 176.83 177.47 1avn h GLU 221 N 1.06 1.04 0.17 2.24 3.07 -1.95 0.33 114.58 120.54 1avn h GLU 221 Ca 0.42 -0.18 -0.01 0.00 -0.50 0.00 0.00 59.36 59.09 1avn h GLU 221 Cb 0.25 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 1avn h GLU 221 CO -0.17 0.85 -0.08 1.96 -1.40 0.00 0.00 179.01 180.16 1avn h GLN 222 N 0.99 -0.22 -0.61 2.33 4.20 -1.75 -3.08 115.11 116.97 1avn h GLN 222 Ca 0.24 0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.99 1avn h GLN 222 Cb 0.18 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 1avn h GLN 222 CO -0.02 0.08 0.40 0.28 -0.67 0.00 0.00 178.83 178.90 1avn h VAL 223 N -0.53 1.08 -0.43 -0.54 2.07 -1.23 -1.87 116.25 114.79 1avn h VAL 223 Ca -0.02 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1avn h VAL 223 Cb 0.41 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1avn h VAL 223 CO 0.04 0.13 0.22 -0.07 0.02 0.00 0.00 177.57 177.91 1avn h LEU 224 N 0.71 0.53 -1.17 2.57 3.38 -0.92 -2.49 115.31 117.91 1avn h LEU 224 Ca 0.24 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 1avn h LEU 224 Cb 0.08 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1avn h LEU 224 CO -0.07 0.44 -0.27 0.11 0.09 0.00 0.00 178.44 178.74 1avn h LYS 225 N 0.60 0.23 -0.90 1.13 1.57 -1.25 -3.02 116.57 114.93 1avn h LYS 225 Ca 0.15 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1avn h LYS 225 Cb 0.05 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.29 1avn h LYS 225 CO -0.02 0.49 0.59 0.74 -0.57 0.00 0.00 179.45 180.68 1avn h PHE 226 N 0.20 1.12 0.00 -1.35 -1.00 -1.50 -2.73 116.94 111.69 1avn h PHE 226 Ca 0.03 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.84 1avn h PHE 226 Cb 0.60 -0.38 0.00 0.00 3.61 0.00 0.00 35.95 39.78 1avn h PHE 226 CO 0.01 0.68 0.00 0.54 -1.61 0.00 0.00 178.31 177.93 1avn n ARG 227 N -4.48 0.30 0.01 1.51 1.74 -1.14 -2.68 116.66 111.92 1avn n ARG 227 Ca 0.11 0.10 0.11 0.00 -0.77 0.00 0.00 57.85 57.40 1avn n ARG 227 Cb 0.04 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.02 1avn n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1avn n LYS 228 N -1.20 0.09 -1.25 5.56 5.02 -1.03 -4.49 118.16 120.86 1avn n LYS 228 Ca 0.09 -0.01 -0.30 0.00 -2.02 0.00 0.00 58.31 56.07 1avn n LYS 228 Cb 0.10 -1.52 0.11 0.00 -0.02 0.00 0.00 35.03 33.70 1avn n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1avn s LEU 229 N -3.28 2.60 0.05 -0.35 1.43 -1.09 -4.88 118.68 113.17 1avn s LEU 229 Ca 0.07 1.61 0.08 0.00 -1.03 0.00 0.00 54.13 54.87 1avn s LEU 229 Cb 0.16 -4.16 -0.03 0.00 0.03 0.00 0.00 46.19 42.19 1avn s LEU 229 CO 0.80 -2.34 -0.23 0.20 0.23 0.00 0.00 176.35 175.01 1avn s ASN 230 N -3.45 2.76 0.03 2.29 0.02 0.98 -0.12 114.94 117.46 1avn s ASN 230 Ca 0.62 -0.57 -0.09 0.00 -1.02 0.00 0.00 52.86 51.80 1avn s ASN 230 Cb -0.17 -0.23 -0.31 0.00 0.02 0.00 0.00 41.25 40.56 1avn s ASN 230 CO 0.56 0.19 0.97 -0.26 0.02 0.00 0.00 177.10 178.58 1avn h PHE 231 N 4.71 0.70 -4.32 2.20 0.04 -1.73 -3.35 116.94 115.20 1avn h PHE 231 Ca -0.45 -0.51 -0.47 0.00 2.80 0.00 0.00 57.97 59.34 1avn h PHE 231 Cb 1.16 -0.03 0.12 0.00 2.20 0.00 0.00 35.95 39.39 1avn h PHE 231 CO 0.51 1.46 0.34 0.54 -0.60 0.00 0.00 178.31 180.55 1avn s ASN 232 N -7.30 4.16 0.54 2.17 4.22 -1.26 -4.47 114.94 113.01 1avn s ASN 232 Ca -0.08 1.10 -0.01 0.00 -2.14 0.00 0.00 52.86 51.72 1avn s ASN 232 Cb 0.06 -1.75 0.02 0.00 1.28 0.00 0.00 41.25 40.86 1avn s ASN 232 CO 0.90 -2.15 0.79 -0.83 -2.04 0.00 0.00 177.10 173.76 1avn s GLY 233 N -4.06 1.70 0.27 0.45 0.00 -1.26 -0.90 107.32 103.52 1avn s GLY 233 Ca 0.62 -1.11 -0.31 0.00 0.00 0.00 0.00 44.72 43.92 1avn s GLY 233 CO 0.53 -0.85 1.56 -2.21 0.00 0.00 0.00 173.10 172.13 1avn n GLU 234 N -2.36 2.53 -0.47 2.90 2.13 -1.26 -2.69 120.64 121.42 1avn n GLU 234 Ca 0.05 0.90 0.00 0.00 0.66 0.00 0.00 57.16 58.78 1avn n GLU 234 Cb 0.59 -2.66 0.00 0.00 0.27 0.00 0.00 31.44 29.64 1avn n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1avn n GLY 235 N 2.31 0.74 3.72 8.31 0.00 -1.26 -5.07 105.19 113.94 1avn n GLY 235 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 1avn n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1avn s GLU 236 N -0.53 2.39 0.42 1.61 2.02 -1.09 -5.08 118.70 118.44 1avn s GLU 236 Ca 0.00 -1.49 -0.26 0.00 0.02 0.00 0.00 54.97 53.24 1avn s GLU 236 Cb 0.00 -2.20 -0.09 0.00 0.10 0.00 0.00 34.13 31.94 1avn s GLU 236 CO 0.00 0.18 1.42 -1.25 0.02 0.00 0.00 175.26 175.63 1avn s PRO 237 N -3.81 3.87 -0.15 0.39 0.04 -1.26 -4.91 135.00 129.17 1avn s PRO 237 Ca 0.36 2.41 -0.29 0.00 0.04 0.00 0.00 61.00 63.52 1avn s PRO 237 Cb -0.04 -2.77 -0.03 0.00 0.04 0.00 0.00 34.50 31.70 1avn s PRO 237 CO 0.22 -0.67 1.52 -2.00 0.04 0.00 0.00 177.00 176.11 1avn s GLU 238 N -2.30 4.05 -0.24 4.56 2.12 -1.26 -4.73 118.70 120.91 1avn s GLU 238 Ca 0.58 1.82 0.02 0.00 0.36 0.00 0.00 54.97 57.75 1avn s GLU 238 Cb -0.43 -3.94 0.06 0.00 0.26 0.00 0.00 34.13 30.08 1avn s GLU 238 CO 0.57 -0.97 -0.09 -1.21 -0.54 0.00 0.00 175.26 173.02 1avn s GLU 239 N 4.11 1.99 0.49 4.30 2.02 -1.26 -5.07 118.70 125.29 1avn s GLU 239 Ca 0.67 -1.12 -0.22 0.00 0.02 0.00 0.00 54.97 54.32 1avn s GLU 239 Cb -0.27 -2.69 -0.06 0.00 0.10 0.00 0.00 34.13 31.21 1avn s GLU 239 CO 0.25 -0.55 1.20 -0.51 0.02 0.00 0.00 175.26 175.67 1avn s LEU 240 N 1.27 3.93 -0.81 1.80 1.43 -1.26 -2.34 118.68 122.69 1avn s LEU 240 Ca -0.06 2.38 -0.26 0.00 -1.03 0.00 0.00 54.13 55.16 1avn s LEU 240 Cb -0.19 -4.31 0.03 0.00 0.03 0.00 0.00 46.19 41.75 1avn s LEU 240 CO -0.06 -1.12 1.39 -0.32 0.23 0.00 0.00 176.35 176.47 1avn s MET 241 N -2.85 3.23 0.04 1.70 -2.45 0.83 -4.64 119.30 115.17 1avn s MET 241 Ca 0.67 -0.41 -0.12 0.00 -1.25 0.00 0.00 55.69 54.58 1avn s MET 241 Cb -0.30 -4.54 0.01 0.00 1.25 0.00 0.00 34.83 31.25 1avn s MET 241 CO 0.36 -2.25 0.26 0.14 1.05 0.00 0.00 175.02 174.57 1avn s VAL 242 N 5.95 0.09 -1.34 10.11 -7.23 -1.26 -4.41 120.40 122.31 1avn s VAL 242 Ca 0.42 -0.75 -0.03 0.00 -1.81 0.00 0.00 61.98 59.80 1avn s VAL 242 Cb -0.06 -0.89 0.02 0.00 0.56 0.00 0.00 36.38 36.00 1avn s VAL 242 CO 0.08 -0.41 0.83 0.47 -0.31 0.00 0.00 175.10 175.76 1avn n ASP 243 N 0.70 -2.33 -2.15 4.85 8.00 -0.37 -4.86 116.55 120.40 1avn n ASP 243 Ca -0.19 -0.76 -0.23 0.00 0.71 0.00 0.00 54.79 54.31 1avn n ASP 243 Cb 0.59 -4.26 0.03 0.00 -0.02 0.00 0.00 41.12 37.46 1avn n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1avn n ASN 244 N -3.02 6.76 -4.45 -2.24 6.94 -1.15 -4.90 115.26 113.20 1avn n ASN 244 Ca -0.21 -3.27 -0.30 0.00 -0.02 0.00 0.00 54.58 50.78 1avn n ASN 244 Cb 0.64 -1.08 -0.12 0.00 -2.36 0.00 0.00 39.78 36.86 1avn n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1avn s TRP 245 N -2.29 2.47 -0.13 -2.53 1.48 -1.26 -4.68 118.94 112.01 1avn s TRP 245 Ca 0.44 -0.30 -0.07 0.00 -1.06 0.00 0.00 56.10 55.12 1avn s TRP 245 Cb 0.33 -1.36 -0.04 0.00 -1.16 0.00 0.00 33.47 31.25 1avn s TRP 245 CO -0.07 0.32 0.11 0.50 -4.06 0.00 0.00 176.95 173.76 1avn s ARG 246 N -1.88 3.55 0.72 3.25 3.52 -1.26 -4.96 118.95 121.88 1avn s ARG 246 Ca 0.16 -0.20 -0.14 0.00 -0.13 0.00 0.00 55.73 55.42 1avn s ARG 246 Cb -0.10 -3.18 0.03 0.00 -1.56 0.00 0.00 34.95 30.14 1avn s ARG 246 CO 0.07 0.65 1.15 -2.14 -0.81 0.00 0.00 175.30 174.23 1avn s PRO 247 N -0.67 2.32 0.32 5.12 0.02 -1.26 -4.72 135.00 136.13 1avn s PRO 247 Ca 0.13 1.55 -0.29 0.00 0.02 0.00 0.00 61.00 62.41 1avn s PRO 247 Cb -0.12 -1.88 -0.12 0.00 0.02 0.00 0.00 34.50 32.41 1avn s PRO 247 CO 0.02 -1.65 1.43 0.00 -0.33 0.00 0.00 177.00 176.48 1avn n ALA 248 N -2.77 1.85 -2.85 -1.55 0.00 -1.26 -4.61 120.51 109.31 1avn n ALA 248 Ca 0.12 0.37 -0.24 0.00 0.00 0.00 0.00 53.44 53.69 1avn n ALA 248 Cb 0.51 -2.35 -0.04 0.00 0.00 0.00 0.00 19.45 17.57 1avn n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1avn s GLN 249 N -1.38 3.06 0.33 0.00 -1.52 0.11 -4.94 119.66 115.32 1avn s GLN 249 Ca 0.59 -0.89 -0.29 0.00 -1.95 0.00 0.00 55.36 52.83 1avn s GLN 249 Cb -0.54 -2.69 -0.10 0.00 -0.22 0.00 0.00 33.01 29.45 1avn s GLN 249 CO 0.57 0.45 1.37 -1.25 -0.25 0.00 0.00 175.29 176.18 1avn s PRO 250 N -3.51 4.29 0.26 2.91 0.04 -1.26 -4.58 135.00 133.14 1avn s PRO 250 Ca 0.33 2.31 0.03 0.00 0.04 0.00 0.00 61.00 63.71 1avn s PRO 250 Cb -0.09 -3.05 0.35 0.00 0.04 0.00 0.00 34.50 31.74 1avn s PRO 250 CO 0.25 -0.30 1.65 1.25 0.04 0.00 0.00 177.00 179.90 1avn h LEU 251 N 3.52 0.42 0.00 -3.56 5.85 -1.95 -3.44 115.31 116.14 1avn h LEU 251 Ca -0.49 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.05 1avn h LEU 251 Cb 1.23 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1avn h LEU 251 CO 0.67 0.78 0.00 0.29 -0.34 0.00 0.00 178.44 179.83 1avn n LYS 252 N -4.03 0.00 -0.91 1.25 5.02 -1.26 -2.99 118.16 115.23 1avn n LYS 252 Ca -0.01 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.17 1avn n LYS 252 Cb 0.49 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.40 1avn n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1avn n ASN 253 N 3.21 5.48 -4.28 4.39 5.15 -1.26 -4.89 115.26 123.06 1avn n ASN 253 Ca 0.00 -2.57 -0.24 0.00 -0.60 0.00 0.00 54.58 51.16 1avn n ASN 253 Cb 0.00 -1.30 -0.13 0.00 -0.53 0.00 0.00 39.78 37.82 1avn n ASN 253 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1avn s ARG 254 N 0.26 1.17 -0.15 1.20 0.52 -1.16 -5.12 118.95 115.67 1avn s ARG 254 Ca 0.46 -1.12 -0.03 0.00 -0.52 0.00 0.00 55.73 54.52 1avn s ARG 254 Cb 0.23 -1.40 -0.02 0.00 0.52 0.00 0.00 34.95 34.28 1avn s ARG 254 CO -0.02 0.33 -0.06 -1.14 0.02 0.00 0.00 175.30 174.43 1avn s GLN 255 N -1.77 3.57 -0.13 3.54 0.74 -1.26 -5.04 119.66 119.32 1avn s GLN 255 Ca 0.07 -0.57 -0.17 0.00 0.05 0.00 0.00 55.36 54.73 1avn s GLN 255 Cb -0.10 -2.85 -0.04 0.00 1.10 0.00 0.00 33.01 31.12 1avn s GLN 255 CO 0.04 0.20 0.44 0.42 -0.55 0.00 0.00 175.29 175.83 1avn s ILE 256 N 0.45 5.21 0.03 -2.34 1.01 -1.26 -4.71 121.20 119.60 1avn s ILE 256 Ca -0.05 0.87 0.02 0.00 0.00 0.00 0.00 60.65 61.49 1avn s ILE 256 Cb -0.15 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 1avn s ILE 256 CO 0.03 0.34 0.01 -0.54 0.00 0.00 0.00 174.94 174.78 1avn s LYS 257 N 0.61 2.76 -0.00 2.79 1.02 -0.26 -1.76 119.74 124.90 1avn s LYS 257 Ca 0.24 -0.67 0.02 0.00 0.02 0.00 0.00 55.97 55.59 1avn s LYS 257 Cb -0.15 -2.66 -0.03 0.00 -0.52 0.00 0.00 37.83 34.47 1avn s LYS 257 CO 0.09 0.60 -0.04 0.00 -0.92 0.00 0.00 175.35 175.08 1avn s ALA 258 N -1.18 3.12 -2.24 5.17 0.00 -0.55 -0.66 121.76 125.42 1avn s ALA 258 Ca 0.22 -0.99 0.27 0.00 0.00 0.00 0.00 51.96 51.46 1avn s ALA 258 Cb -0.12 -1.21 0.82 0.00 0.00 0.00 0.00 23.12 22.61 1avn s ALA 258 CO 0.14 0.62 1.61 -1.13 0.00 0.00 0.00 175.76 177.00 1avn n SER 259 N 1.51 1.47 -4.22 0.00 3.41 0.16 -1.65 113.62 114.30 1avn n SER 259 Ca -0.15 -1.31 -0.12 0.00 -0.26 0.00 0.00 58.87 57.02 1avn n SER 259 Cb 0.53 0.08 -0.10 0.00 -0.26 0.00 0.00 64.21 64.45 1avn n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1avn s PHE 260 N -2.21 1.12 -2.02 7.33 -0.71 -1.26 -4.86 117.98 115.37 1avn s PHE 260 Ca 0.31 -1.12 0.16 0.00 -1.04 0.00 0.00 56.93 55.24 1avn s PHE 260 Cb 0.20 -0.64 0.13 0.00 -1.21 0.00 0.00 43.02 41.50 1avn s PHE 260 CO 0.41 -0.34 1.01 1.17 -1.34 0.00 0.00 175.22 176.13