#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 12ca n GLY 6 N 0.00 2.17 0.20 -1.67 0.00 0.27 -5.01 105.19 101.15 12ca n GLY 6 Ca 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 46.02 45.80 12ca n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 12ca n TYR 7 N 0.00 0.00 -1.65 1.61 4.02 -1.26 -4.08 117.16 115.80 12ca n TYR 7 Ca 0.00 -0.23 -0.29 0.00 -0.01 0.00 0.00 57.90 57.37 12ca n TYR 7 Cb 0.00 -0.05 0.17 0.00 -0.02 0.00 0.00 39.34 39.44 12ca n TYR 7 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 12ca s GLY 8 N -0.99 1.66 0.28 2.72 0.00 -1.26 -4.72 107.32 105.01 12ca s GLY 8 Ca 0.05 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.88 12ca s GLY 8 CO 0.00 -0.20 1.78 1.70 0.00 0.00 0.00 173.10 176.38 12ca h LYS 9 N -1.71 0.69 0.00 2.90 1.63 -1.98 -0.32 116.57 117.77 12ca h LYS 9 Ca -0.46 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.15 12ca h LYS 9 Cb 1.29 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 12ca h LYS 9 CO 0.47 0.73 -1.00 0.72 -3.45 0.00 0.00 179.45 176.93 12ca n HIS 10 N -4.21 0.09 -0.76 1.91 8.25 -1.26 -4.42 115.22 114.81 12ca n HIS 10 Ca 0.02 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 12ca n HIS 10 Cb 0.31 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.18 12ca n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 12ca n ASN 11 N -1.73 0.60 -4.16 0.41 6.94 -1.20 -4.98 115.26 111.15 12ca n ASN 11 Ca 0.03 -1.36 -0.29 0.00 -0.02 0.00 0.00 54.58 52.94 12ca n ASN 11 Cb 0.39 -0.02 0.26 0.00 -2.36 0.00 0.00 39.78 38.05 12ca n ASN 11 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 12ca s GLY 12 N -0.38 1.50 0.64 4.83 0.00 -0.13 -0.57 107.32 113.21 12ca s GLY 12 Ca 0.01 -0.41 0.28 0.00 0.00 0.00 0.00 44.72 44.60 12ca s GLY 12 CO 0.00 0.41 1.86 -2.55 0.00 0.00 0.00 173.10 172.83 12ca h PRO 13 N -2.85 0.00 -0.00 2.90 0.11 -1.85 0.26 132.00 130.56 12ca h PRO 13 Ca -0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.55 12ca h PRO 13 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 12ca h PRO 13 CO 0.44 0.00 -0.06 -0.85 -0.21 0.00 0.00 178.00 177.32 12ca n GLU 14 N -3.14 0.41 0.00 1.05 0.00 -1.26 -3.39 120.64 114.31 12ca n GLU 14 Ca 0.02 -0.07 0.03 0.00 0.00 0.00 0.00 57.16 57.14 12ca n GLU 14 Cb 0.51 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.42 12ca n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 12ca n HIS 15 N -1.24 0.00 -0.09 -1.84 8.25 0.90 -4.71 115.22 116.49 12ca n HIS 15 Ca 0.13 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.61 12ca n HIS 15 Cb 0.27 0.00 0.33 0.00 1.12 0.00 0.00 29.99 31.72 12ca n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 12ca h TRP 16 N 0.22 0.71 -0.94 4.41 6.55 -1.55 -2.72 115.95 122.64 12ca h TRP 16 Ca 0.00 0.01 0.24 0.00 0.95 0.00 0.00 58.89 60.09 12ca h TRP 16 Cb 0.19 -0.24 -0.06 0.00 -0.86 0.00 0.00 29.16 28.20 12ca h TRP 16 CO 0.00 0.46 0.64 1.12 -1.05 0.00 0.00 178.44 179.61 12ca h HIS 17 N 0.75 0.36 -0.93 0.49 2.07 -1.80 0.30 115.15 116.38 12ca h HIS 17 Ca 0.20 0.01 0.03 0.00 -2.85 0.00 0.00 60.37 57.76 12ca h HIS 17 Cb -0.05 -0.11 -0.05 0.00 2.57 0.00 0.00 27.41 29.77 12ca h HIS 17 CO 0.00 0.07 0.61 0.87 -3.07 0.00 0.00 177.93 176.41 12ca h LYS 18 N 0.25 1.15 0.00 5.12 1.57 -1.84 -2.23 116.57 120.58 12ca h LYS 18 Ca 0.48 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 59.06 12ca h LYS 18 Cb 1.46 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 33.49 12ca h LYS 18 CO -0.13 0.76 -1.97 -0.25 -0.57 0.00 0.00 179.45 177.29 12ca n ASP 19 N -4.49 0.85 -3.57 0.86 8.00 -0.63 -4.74 116.55 112.82 12ca n ASP 19 Ca 0.12 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.35 12ca n ASP 19 Cb 0.09 1.45 -0.10 0.00 -0.02 0.00 0.00 41.12 42.53 12ca n ASP 19 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 12ca n PHE 20 N -2.34 0.95 0.03 1.24 3.72 0.95 -4.99 117.46 117.03 12ca n PHE 20 Ca -0.13 -3.75 0.22 0.00 -0.05 0.00 0.00 57.45 53.73 12ca n PHE 20 Cb 0.71 -0.16 0.73 0.00 -0.94 0.00 0.00 39.48 39.82 12ca n PHE 20 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 12ca h PRO 21 N 5.32 0.00 0.00 -1.08 0.13 -1.62 0.23 132.00 134.99 12ca h PRO 21 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 12ca h PRO 21 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 12ca h PRO 21 CO 0.54 0.00 0.00 0.97 -0.23 0.00 0.00 178.00 179.28 12ca h ILE 22 N 0.00 0.00 -0.56 -3.56 2.10 -1.92 -2.30 117.51 111.27 12ca h ILE 22 Ca 0.25 -0.06 0.16 0.00 1.08 0.00 0.00 64.86 66.29 12ca h ILE 22 Cb 1.18 0.67 -0.02 0.00 -1.09 0.00 0.00 36.82 37.55 12ca h ILE 22 CO -0.00 0.00 0.54 0.00 -1.08 0.00 0.00 178.15 177.61 12ca h ALA 23 N 2.05 2.35 -0.31 0.18 0.00 -0.85 0.18 119.26 122.85 12ca h ALA 23 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 12ca h ALA 23 Cb 0.08 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 12ca h ALA 23 CO 0.00 -0.83 0.00 1.63 0.00 0.00 0.00 179.25 180.06 12ca n LYS 24 N -3.82 3.19 -0.66 0.00 5.02 -0.86 -4.96 118.16 116.06 12ca n LYS 24 Ca 0.11 -2.91 -0.22 0.00 -2.02 0.00 0.00 58.31 53.27 12ca n LYS 24 Cb 0.76 -1.91 0.19 0.00 -0.02 0.00 0.00 35.03 34.04 12ca n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 12ca n GLY 25 N -0.37 -2.91 0.15 0.72 0.00 0.62 -5.01 105.19 98.40 12ca n GLY 25 Ca 0.23 -1.45 0.12 0.00 0.00 0.00 0.00 46.02 44.92 12ca n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 12ca h GLU 26 N 0.00 0.00 -1.31 1.61 4.39 -1.96 -3.38 114.58 113.93 12ca h GLU 26 Ca -0.30 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 58.94 12ca h GLU 26 Cb 0.94 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.18 12ca h GLU 26 CO 0.19 0.00 -1.00 2.89 -1.16 0.00 0.00 179.01 179.93 12ca n ARG 27 N -2.77 2.06 -2.90 2.33 1.85 -1.26 -4.80 116.66 111.16 12ca n ARG 27 Ca 0.02 -3.79 -0.35 0.00 -1.00 0.00 0.00 57.85 52.72 12ca n ARG 27 Cb 0.53 -1.68 -0.06 0.00 -1.05 0.00 0.00 32.46 30.20 12ca n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 12ca s GLN 28 N -3.25 4.38 0.09 2.89 -1.52 -1.26 -2.68 119.66 118.31 12ca s GLN 28 Ca 0.36 1.11 0.10 0.00 -1.95 0.00 0.00 55.36 54.98 12ca s GLN 28 Cb 0.42 -2.66 -0.03 0.00 -0.22 0.00 0.00 33.01 30.52 12ca s GLN 28 CO -0.06 0.23 -0.26 -1.12 -0.25 0.00 0.00 175.29 173.84 12ca s SER 29 N -1.80 3.12 0.68 5.90 0.01 -1.26 -4.69 113.70 115.66 12ca s SER 29 Ca 0.51 -0.66 -0.04 0.00 1.31 0.00 0.00 55.95 57.07 12ca s SER 29 Cb -0.15 -0.24 0.08 0.00 0.21 0.00 0.00 66.02 65.92 12ca s SER 29 CO 0.20 0.20 0.96 -2.16 0.41 0.00 0.00 173.24 172.86 12ca s PRO 30 N -1.66 2.08 0.21 12.44 0.04 -1.26 -4.56 135.00 142.29 12ca s PRO 30 Ca 0.12 -0.59 -0.03 0.00 0.04 0.00 0.00 61.00 60.53 12ca s PRO 30 Cb -0.10 -2.27 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 12ca s PRO 30 CO 0.04 -1.22 0.20 0.14 0.04 0.00 0.00 177.00 176.20 12ca s VAL 31 N -3.13 0.00 -0.07 -0.36 -7.23 -1.26 -0.25 120.40 108.10 12ca s VAL 31 Ca 0.62 -1.87 -0.20 0.00 -1.81 0.00 0.00 61.98 58.71 12ca s VAL 31 Cb -0.09 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 12ca s VAL 31 CO 0.43 -0.02 0.58 -0.62 -0.31 0.00 0.00 175.10 175.16 12ca s ASP 32 N -3.13 6.86 -0.47 4.85 2.15 -1.26 -3.22 116.67 122.46 12ca s ASP 32 Ca 0.35 1.02 -0.16 0.00 0.43 0.00 0.00 52.55 54.20 12ca s ASP 32 Cb 0.05 -2.35 0.07 0.00 -0.30 0.00 0.00 42.92 40.40 12ca s ASP 32 CO 0.11 -0.01 0.39 -0.63 -0.17 0.00 0.00 175.17 174.86 12ca s ILE 33 N 0.47 5.23 -0.56 4.11 1.01 -0.28 -4.95 121.20 126.22 12ca s ILE 33 Ca 0.31 -1.02 -0.25 0.00 0.00 0.00 0.00 60.65 59.70 12ca s ILE 33 Cb -0.17 -4.11 0.04 0.00 0.01 0.00 0.00 42.46 38.23 12ca s ILE 33 CO 0.15 -0.56 0.99 -0.62 0.00 0.00 0.00 174.94 174.89 12ca s ASP 34 N 2.52 6.34 0.51 3.58 -1.08 -1.26 -1.31 116.67 125.97 12ca s ASP 34 Ca 0.04 -0.32 0.26 0.00 -0.52 0.00 0.00 52.55 52.01 12ca s ASP 34 Cb -0.24 -2.45 1.36 0.00 -1.46 0.00 0.00 42.92 40.13 12ca s ASP 34 CO 0.07 -1.29 2.04 0.71 0.52 0.00 0.00 175.17 177.22 12ca h THR 35 N 6.04 0.60 0.00 1.71 1.35 -1.95 0.29 112.91 120.95 12ca h THR 35 Ca -0.26 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 12ca h THR 35 Cb 1.07 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.89 12ca h THR 35 CO 1.11 0.14 -0.61 0.45 -0.25 0.00 0.00 175.52 176.36 12ca h HIS 36 N 0.00 0.00 0.00 4.73 3.86 -2.02 -3.33 115.15 118.38 12ca h HIS 36 Ca -0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 12ca h HIS 36 Cb 0.38 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 12ca h HIS 36 CO 0.00 0.00 -1.89 2.41 0.86 0.00 0.00 177.93 179.31 12ca n THR 37 N -2.34 0.15 -1.73 2.45 -1.04 -0.88 -4.96 114.28 105.94 12ca n THR 37 Ca 0.03 -0.46 -0.39 0.00 -2.04 0.00 0.00 64.05 61.19 12ca n THR 37 Cb 0.47 -0.00 0.04 0.00 -1.82 0.00 0.00 70.33 69.02 12ca n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 12ca n ALA 38 N -2.21 1.44 -3.14 2.41 0.00 0.98 -4.83 120.51 115.17 12ca n ALA 38 Ca -0.07 0.13 -0.34 0.00 0.00 0.00 0.00 53.44 53.16 12ca n ALA 38 Cb 0.56 -2.33 -0.13 0.00 0.00 0.00 0.00 19.45 17.55 12ca n ALA 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 12ca s LYS 39 N -2.84 3.53 -0.16 0.00 2.36 0.15 -4.87 119.74 117.92 12ca s LYS 39 Ca 0.71 -0.58 -0.29 0.00 -2.55 0.00 0.00 55.97 53.26 12ca s LYS 39 Cb -0.42 -2.92 -0.03 0.00 -1.05 0.00 0.00 37.83 33.41 12ca s LYS 39 CO 0.49 0.08 1.55 -0.47 1.55 0.00 0.00 175.35 178.56 12ca s TYR 40 N 0.76 2.22 -0.27 4.03 5.04 -1.26 0.14 117.35 128.00 12ca s TYR 40 Ca -0.02 0.53 -0.00 0.00 -2.44 0.00 0.00 57.07 55.14 12ca s TYR 40 Cb -0.15 -3.87 0.05 0.00 0.35 0.00 0.00 41.96 38.34 12ca s TYR 40 CO 0.02 -2.96 -0.05 0.34 -1.34 0.00 0.00 175.55 171.56 12ca s ASP 41 N 3.49 4.58 0.00 4.32 2.15 -0.44 -4.89 116.67 125.88 12ca s ASP 41 Ca 0.68 -1.20 0.25 0.00 0.43 0.00 0.00 52.55 52.72 12ca s ASP 41 Cb -0.27 -1.65 1.18 0.00 -0.30 0.00 0.00 42.92 41.88 12ca s ASP 41 CO 0.26 -0.20 1.83 -0.81 -0.17 0.00 0.00 175.17 176.08 12ca n PRO 42 N 4.58 0.19 -0.00 4.34 -0.04 -1.26 -3.03 135.00 139.77 12ca n PRO 42 Ca -0.14 0.06 0.15 0.00 -0.04 0.00 0.00 63.50 63.52 12ca n PRO 42 Cb 0.44 -1.50 0.73 0.00 -0.04 0.00 0.00 33.50 33.13 12ca n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 12ca n SER 43 N -1.39 0.70 -4.68 3.54 3.41 -1.26 -4.81 113.62 109.13 12ca n SER 43 Ca 0.09 -1.25 -0.42 0.00 -0.26 0.00 0.00 58.87 57.02 12ca n SER 43 Cb 0.25 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.16 12ca n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 12ca s LEU 44 N -1.97 4.23 0.48 1.04 1.02 -1.17 -5.04 118.68 117.27 12ca s LEU 44 Ca 0.42 1.48 -0.10 0.00 0.02 0.00 0.00 54.13 55.95 12ca s LEU 44 Cb 0.21 -3.51 -0.05 0.00 0.02 0.00 0.00 46.19 42.86 12ca s LEU 44 CO 0.35 -0.45 0.84 -0.54 0.02 0.00 0.00 176.35 176.57 12ca s LYS 45 N 2.08 3.70 0.61 1.70 1.02 -1.26 -5.01 119.74 122.58 12ca s LYS 45 Ca 0.47 0.49 -0.18 0.00 0.02 0.00 0.00 55.97 56.77 12ca s LYS 45 Cb -0.18 -2.31 -0.03 0.00 -0.52 0.00 0.00 37.83 34.80 12ca s LYS 45 CO 0.17 -0.20 1.18 -2.14 -0.92 0.00 0.00 175.35 173.43 12ca s PRO 46 N -4.36 2.94 0.49 -1.68 0.02 -1.26 -3.13 135.00 128.02 12ca s PRO 46 Ca 0.52 1.72 -0.21 0.00 0.02 0.00 0.00 61.00 63.04 12ca s PRO 46 Cb -0.10 -1.94 -0.07 0.00 0.02 0.00 0.00 34.50 32.41 12ca s PRO 46 CO 0.39 -1.21 1.12 -0.51 -0.33 0.00 0.00 177.00 176.46 12ca s LEU 47 N -4.24 3.89 -0.30 -5.54 1.43 -1.26 -2.02 118.68 110.64 12ca s LEU 47 Ca 0.75 2.16 -0.01 0.00 -1.03 0.00 0.00 54.13 55.99 12ca s LEU 47 Cb -0.28 -4.43 0.10 0.00 0.03 0.00 0.00 46.19 41.61 12ca s LEU 47 CO 0.34 -0.98 0.10 -0.55 0.23 0.00 0.00 176.35 175.49 12ca s SER 48 N -1.66 3.92 -0.22 2.29 0.15 -0.20 -4.89 113.70 113.08 12ca s SER 48 Ca 0.67 -1.55 -0.07 0.00 0.70 0.00 0.00 55.95 55.71 12ca s SER 48 Cb -0.24 -0.79 -0.03 0.00 -1.71 0.00 0.00 66.02 63.26 12ca s SER 48 CO 0.28 -0.41 0.05 -0.69 1.20 0.00 0.00 173.24 173.67 12ca s VAL 49 N 1.69 4.27 -0.55 4.45 1.01 -1.26 -0.73 120.40 129.28 12ca s VAL 49 Ca 0.09 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 61.92 12ca s VAL 49 Cb -0.17 -2.97 0.14 0.00 0.00 0.00 0.00 36.38 33.38 12ca s VAL 49 CO -0.26 0.38 0.30 -0.44 0.00 0.00 0.00 175.10 175.09 12ca s SER 50 N 1.24 4.35 0.00 3.32 0.01 0.40 -4.91 113.70 118.11 12ca s SER 50 Ca 0.04 -3.16 0.04 0.00 1.31 0.00 0.00 55.95 54.18 12ca s SER 50 Cb -0.15 -1.59 0.09 0.00 0.21 0.00 0.00 66.02 64.59 12ca s SER 50 CO 0.03 -0.20 1.02 -1.22 0.41 0.00 0.00 173.24 173.27 12ca n TYR 51 N 2.91 0.13 0.17 2.43 4.01 -1.26 -0.42 117.16 125.13 12ca n TYR 51 Ca 0.08 -0.43 0.08 0.00 -0.16 0.00 0.00 57.90 57.47 12ca n TYR 51 Cb 0.33 -0.04 0.59 0.00 -0.31 0.00 0.00 39.34 39.91 12ca n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 12ca h ASP 52 N 0.70 0.12 -0.47 7.72 2.03 -1.91 -2.65 116.42 121.96 12ca h ASP 52 Ca 0.00 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 12ca h ASP 52 Cb 0.52 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.99 12ca h ASP 52 CO 0.00 0.09 0.00 1.67 -1.03 0.00 0.00 179.24 179.97 12ca n GLN 53 N -4.51 4.20 -2.08 4.15 -0.06 -1.25 -5.03 117.38 112.79 12ca n GLN 53 Ca -0.01 -3.05 -0.38 0.00 -2.00 0.00 0.00 57.00 51.57 12ca n GLN 53 Cb 0.12 -2.11 0.01 0.00 -4.06 0.00 0.00 30.24 24.19 12ca n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 12ca s ALA 54 N -2.75 2.95 -0.28 1.69 0.00 -1.00 -4.52 121.76 117.84 12ca s ALA 54 Ca 0.50 1.09 -0.01 0.00 0.00 0.00 0.00 51.96 53.55 12ca s ALA 54 Cb 0.39 -3.45 0.09 0.00 0.00 0.00 0.00 23.12 20.14 12ca s ALA 54 CO 0.14 -0.91 0.06 0.99 0.00 0.00 0.00 175.76 176.04 12ca s THR 55 N -1.44 1.00 0.26 0.00 2.01 -1.26 -4.89 115.64 111.32 12ca s THR 55 Ca 0.66 -1.27 -0.17 0.00 0.31 0.00 0.00 61.69 61.21 12ca s THR 55 Cb -0.33 -1.63 -0.08 0.00 0.01 0.00 0.00 72.50 70.46 12ca s THR 55 CO 0.40 -0.49 0.71 -0.94 -0.69 0.00 0.00 174.62 173.61 12ca s SER 56 N 1.58 6.92 -0.05 3.53 1.04 -1.26 -1.99 113.70 123.47 12ca s SER 56 Ca 0.05 1.33 -0.02 0.00 0.48 0.00 0.00 55.95 57.80 12ca s SER 56 Cb -0.18 -2.39 -0.02 0.00 0.10 0.00 0.00 66.02 63.53 12ca s SER 56 CO -0.18 -0.06 -0.05 0.18 0.98 0.00 0.00 173.24 174.10 12ca n LEU 57 N 0.26 1.07 -3.76 2.42 4.77 -0.20 -3.92 117.00 117.65 12ca n LEU 57 Ca -0.00 0.03 -0.05 0.00 -0.03 0.00 0.00 56.01 55.97 12ca n LEU 57 Cb 0.52 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.45 12ca n LEU 57 CO 0.42 0.23 0.64 0.00 -1.33 0.00 0.00 177.39 177.36 12ca s ARG 58 N -2.09 1.33 -0.10 3.23 1.04 -1.21 -1.29 118.95 119.86 12ca s ARG 58 Ca -0.06 -0.72 0.03 0.00 -1.04 0.00 0.00 55.73 53.94 12ca s ARG 58 Cb 0.02 0.47 0.00 0.00 -2.04 0.00 0.00 34.95 33.40 12ca s ARG 58 CO 0.09 -0.61 -0.21 -1.50 -0.04 0.00 0.00 175.30 173.03 12ca s ILE 59 N -3.46 1.85 0.03 4.99 2.07 0.64 -0.43 121.20 126.88 12ca s ILE 59 Ca 0.11 -0.89 0.03 0.00 -1.41 0.00 0.00 60.65 58.49 12ca s ILE 59 Cb -0.03 -1.62 -0.02 0.00 0.13 0.00 0.00 42.46 40.93 12ca s ILE 59 CO 0.02 0.51 -0.09 -0.22 -1.91 0.00 0.00 174.94 173.26 12ca s LEU 60 N 0.51 2.17 -0.44 8.50 2.96 0.13 -0.16 118.68 132.35 12ca s LEU 60 Ca -0.16 -0.41 -0.12 0.00 -0.22 0.00 0.00 54.13 53.22 12ca s LEU 60 Cb -0.17 -0.31 0.07 0.00 0.50 0.00 0.00 46.19 46.28 12ca s LEU 60 CO 0.06 -0.07 0.31 0.21 -1.32 0.00 0.00 176.35 175.54 12ca s ASN 61 N -1.11 5.86 0.00 3.68 3.84 -0.54 0.80 114.94 127.48 12ca s ASN 61 Ca -0.04 -1.38 0.22 0.00 0.21 0.00 0.00 52.86 51.87 12ca s ASN 61 Cb -0.07 -2.07 0.70 0.00 -0.55 0.00 0.00 41.25 39.25 12ca s ASN 61 CO 0.01 -0.57 1.53 -0.46 -2.79 0.00 0.00 177.10 174.81 12ca n ASN 62 N 5.04 1.97 0.00 -4.21 0.23 -0.71 -0.52 115.26 117.06 12ca n ASN 62 Ca -0.11 -1.75 0.00 0.00 -0.53 0.00 0.00 54.58 52.19 12ca n ASN 62 Cb 0.44 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 38.02 12ca n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 12ca n GLY 63 N 1.20 0.68 0.00 4.83 0.00 -1.26 -4.82 105.19 105.82 12ca n GLY 63 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 12ca n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 12ca n HIS 64 N -2.00 0.00 -3.94 1.61 1.44 -1.26 -4.66 115.22 106.41 12ca n HIS 64 Ca 0.00 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.73 12ca n HIS 64 Cb 0.00 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.12 12ca n HIS 64 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 12ca n ALA 65 N -0.25 -2.46 -2.94 1.59 0.00 -1.26 -4.90 120.51 110.29 12ca n ALA 65 Ca 0.00 -0.58 -0.32 0.00 0.00 0.00 0.00 53.44 52.54 12ca n ALA 65 Cb 0.00 0.14 -0.16 0.00 0.00 0.00 0.00 19.45 19.43 12ca n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 12ca s PHE 66 N -2.44 2.56 -0.04 0.00 -0.71 -1.26 -1.74 117.98 114.34 12ca s PHE 66 Ca 0.21 -0.78 0.05 0.00 -1.04 0.00 0.00 56.93 55.37 12ca s PHE 66 Cb -0.01 -1.68 -0.02 0.00 -1.21 0.00 0.00 43.02 40.10 12ca s PHE 66 CO 0.00 -0.26 -0.19 -0.80 -1.34 0.00 0.00 175.22 172.63 12ca s ASN 67 N 0.05 3.61 -0.38 1.98 0.02 0.24 -4.27 114.94 116.18 12ca s ASN 67 Ca -0.09 -0.32 -0.07 0.00 -1.02 0.00 0.00 52.86 51.36 12ca s ASN 67 Cb -0.15 -0.66 0.07 0.00 0.02 0.00 0.00 41.25 40.53 12ca s ASN 67 CO 0.06 0.33 0.18 -0.69 0.02 0.00 0.00 177.10 177.00 12ca s VAL 68 N -0.65 3.88 0.17 1.60 1.01 -0.71 0.22 120.40 125.93 12ca s VAL 68 Ca 0.10 -1.39 -0.05 0.00 0.00 0.00 0.00 61.98 60.65 12ca s VAL 68 Cb -0.11 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 12ca s VAL 68 CO 0.00 -0.39 0.41 -1.61 0.00 0.00 0.00 175.10 173.51 12ca s GLU 69 N 1.37 3.62 0.11 2.72 2.02 0.42 -2.26 118.70 126.71 12ca s GLU 69 Ca 0.02 -0.08 0.06 0.00 0.02 0.00 0.00 54.97 54.99 12ca s GLU 69 Cb -0.22 -2.81 -0.04 0.00 0.10 0.00 0.00 34.13 31.17 12ca s GLU 69 CO 0.01 0.42 -0.15 -0.06 0.02 0.00 0.00 175.26 175.50 12ca s PHE 70 N -1.74 1.43 -0.37 1.61 0.40 -0.56 -1.03 117.98 117.72 12ca s PHE 70 Ca 0.42 -0.51 -0.29 0.00 -0.60 0.00 0.00 56.93 55.95 12ca s PHE 70 Cb -0.12 -0.76 0.00 0.00 0.51 0.00 0.00 43.02 42.65 12ca s PHE 70 CO 0.25 0.14 1.41 0.34 0.70 0.00 0.00 175.22 178.07 12ca s ASP 71 N -2.23 6.40 -0.31 1.36 2.15 -0.84 -4.80 116.67 118.40 12ca s ASP 71 Ca 0.06 0.98 0.07 0.00 0.43 0.00 0.00 52.55 54.10 12ca s ASP 71 Cb -0.07 -2.54 0.46 0.00 -0.30 0.00 0.00 42.92 40.47 12ca s ASP 71 CO 0.03 -1.35 1.33 -0.90 -0.17 0.00 0.00 175.17 174.12 12ca n ASP 72 N 8.56 3.90 0.02 -0.34 5.75 -1.26 -4.60 116.55 128.58 12ca n ASP 72 Ca 0.16 -3.80 0.13 0.00 -0.01 0.00 0.00 54.79 51.27 12ca n ASP 72 Cb 0.47 -0.51 0.34 0.00 -1.03 0.00 0.00 41.12 40.40 12ca n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 12ca n SER 73 N -0.91 0.44 -3.87 -1.12 3.41 -1.26 -4.89 113.62 105.42 12ca n SER 73 Ca 0.38 0.08 -0.09 0.00 -0.26 0.00 0.00 58.87 58.98 12ca n SER 73 Cb 0.89 -0.03 -0.08 0.00 -0.26 0.00 0.00 64.21 64.73 12ca n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 12ca s GLN 74 N -3.04 0.80 -1.10 4.33 -0.21 -1.26 -5.07 119.66 114.11 12ca s GLN 74 Ca 0.11 -0.93 -0.13 0.00 0.02 0.00 0.00 55.36 54.43 12ca s GLN 74 Cb 0.17 0.32 -0.07 0.00 1.00 0.00 0.00 33.01 34.43 12ca s GLN 74 CO 0.65 -0.25 2.22 -0.25 -2.12 0.00 0.00 175.29 175.55 12ca n ASP 75 N 0.07 4.68 -0.06 5.90 9.92 -1.26 -4.57 116.55 131.22 12ca n ASP 75 Ca -0.16 -2.57 -0.06 0.00 -0.53 0.00 0.00 54.79 51.48 12ca n ASP 75 Cb 0.62 -1.28 -0.04 0.00 -0.64 0.00 0.00 41.12 39.77 12ca n ASP 75 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 12ca h LYS 76 N 6.50 0.00 -4.81 -1.24 1.57 -1.86 -3.44 116.57 113.29 12ca h LYS 76 Ca 0.55 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.66 12ca h LYS 76 Cb 0.42 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 32.38 12ca h LYS 76 CO 1.74 0.28 -0.74 0.00 -0.57 0.00 0.00 179.45 180.16 12ca s ALA 77 N -2.51 2.71 0.11 3.86 0.00 -1.26 -3.95 121.76 120.72 12ca s ALA 77 Ca -0.09 -1.77 0.06 0.00 0.00 0.00 0.00 51.96 50.16 12ca s ALA 77 Cb 0.00 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.30 12ca s ALA 77 CO 0.23 -1.24 -0.15 0.14 0.00 0.00 0.00 175.76 174.74 12ca s VAL 78 N 1.19 1.34 -0.10 0.00 -7.23 0.44 -1.60 120.40 114.44 12ca s VAL 78 Ca -0.07 -1.60 0.04 0.00 -1.81 0.00 0.00 61.98 58.54 12ca s VAL 78 Cb -0.20 -1.43 -0.00 0.00 0.56 0.00 0.00 36.38 35.31 12ca s VAL 78 CO -0.03 -0.32 -0.24 -0.22 -0.31 0.00 0.00 175.10 173.98 12ca s LEU 79 N -2.22 2.09 0.32 1.32 0.20 0.95 -0.45 118.68 120.88 12ca s LEU 79 Ca 0.06 -0.56 -0.11 0.00 0.69 0.00 0.00 54.13 54.21 12ca s LEU 79 Cb -0.07 -1.40 0.02 0.00 -0.43 0.00 0.00 46.19 44.31 12ca s LEU 79 CO 0.03 0.16 0.59 -1.59 -0.29 0.00 0.00 176.35 175.26 12ca s LYS 80 N 0.32 1.89 1.57 1.98 -2.85 0.09 -0.90 119.74 121.83 12ca s LYS 80 Ca -0.18 -1.44 0.00 0.00 -1.00 0.00 0.00 55.97 53.35 12ca s LYS 80 Cb -0.18 0.52 0.00 0.00 -2.06 0.00 0.00 37.83 36.11 12ca s LYS 80 CO 0.09 -0.83 0.00 0.41 0.10 0.00 0.00 175.35 175.12 12ca n GLY 81 N -0.49 -1.46 7.00 0.59 0.00 -1.26 -1.04 105.19 108.53 12ca n GLY 81 Ca -0.03 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.75 12ca n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 12ca n GLY 82 N 0.00 1.59 0.07 -0.02 0.00 -0.86 -2.18 105.19 103.80 12ca n GLY 82 Ca 0.00 -0.59 0.13 0.00 0.00 0.00 0.00 46.02 45.56 12ca n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 12ca n PRO 83 N 12.87 0.17 -2.44 1.61 -0.04 -1.26 -4.02 135.00 141.88 12ca n PRO 83 Ca 0.00 0.15 -0.33 0.00 -0.04 0.00 0.00 63.50 63.28 12ca n PRO 83 Cb 0.00 -1.70 -0.03 0.00 -0.04 0.00 0.00 33.50 31.73 12ca n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 12ca s LEU 84 N -3.99 3.76 -0.24 1.53 1.43 -0.93 -5.06 118.68 115.19 12ca s LEU 84 Ca 0.11 1.86 0.02 0.00 -1.03 0.00 0.00 54.13 55.09 12ca s LEU 84 Cb 0.14 -4.55 0.05 0.00 0.03 0.00 0.00 46.19 41.87 12ca s LEU 84 CO 0.56 -0.82 -0.11 -1.81 0.23 0.00 0.00 176.35 174.40 12ca s ASP 85 N -2.26 4.00 0.00 2.29 1.01 -1.26 -4.42 116.67 116.03 12ca s ASP 85 Ca 0.65 -1.18 0.00 0.00 0.71 0.00 0.00 52.55 52.73 12ca s ASP 85 Cb -0.15 -1.43 0.00 0.00 1.01 0.00 0.00 42.92 42.35 12ca s ASP 85 CO 0.24 -0.17 0.00 0.61 0.21 0.00 0.00 175.17 176.06 12ca n GLY 86 N 4.54 -2.33 3.76 0.21 0.00 -1.26 -4.98 105.19 105.13 12ca n GLY 86 Ca -0.15 -1.89 -0.35 0.00 0.00 0.00 0.00 46.02 43.63 12ca n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 12ca s THR 87 N -0.27 5.43 -0.13 2.61 2.01 -1.26 -4.54 115.64 119.48 12ca s THR 87 Ca 0.00 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.20 12ca s THR 87 Cb 0.00 -3.46 -0.01 0.00 0.01 0.00 0.00 72.50 69.04 12ca s THR 87 CO 0.00 0.48 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.96 12ca s TYR 88 N 0.07 2.79 -0.15 4.92 1.51 -0.08 -1.36 117.35 125.05 12ca s TYR 88 Ca 0.10 -0.69 -0.11 0.00 -1.01 0.00 0.00 57.07 55.36 12ca s TYR 88 Cb -0.11 -1.84 -0.05 0.00 -0.11 0.00 0.00 41.96 39.85 12ca s TYR 88 CO -0.01 -0.24 0.22 1.03 -1.11 0.00 0.00 175.55 175.45 12ca s ARG 89 N 0.37 4.05 0.01 -0.62 0.52 -0.38 -0.04 118.95 122.87 12ca s ARG 89 Ca -0.11 -0.02 -0.30 0.00 -0.52 0.00 0.00 55.73 54.77 12ca s ARG 89 Cb -0.16 -3.36 -0.06 0.00 0.52 0.00 0.00 34.95 31.89 12ca s ARG 89 CO 0.06 0.40 1.45 -1.17 0.02 0.00 0.00 175.30 176.06 12ca s LEU 90 N 0.02 4.32 -0.13 2.53 2.96 -0.63 -1.64 118.68 126.12 12ca s LEU 90 Ca 0.14 2.19 0.00 0.00 -0.22 0.00 0.00 54.13 56.24 12ca s LEU 90 Cb -0.12 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 42.93 12ca s LEU 90 CO 0.03 -0.76 -0.12 0.00 -1.32 0.00 0.00 176.35 174.18 12ca n ILE 91 N 4.70 0.73 -3.68 6.68 3.06 -0.44 -4.54 119.36 125.87 12ca n ILE 91 Ca 0.14 -0.27 -0.03 0.00 -2.50 0.00 0.00 62.75 60.09 12ca n ILE 91 Cb 0.43 -1.04 -0.01 0.00 0.54 0.00 0.00 39.64 39.56 12ca n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 12ca s GLN 92 N -2.25 0.89 0.02 9.51 1.03 -1.22 -1.50 119.66 126.14 12ca s GLN 92 Ca -0.17 -0.47 -0.01 0.00 0.04 0.00 0.00 55.36 54.75 12ca s GLN 92 Cb 0.05 0.32 -0.02 0.00 0.03 0.00 0.00 33.01 33.39 12ca s GLN 92 CO 0.28 -0.41 -0.01 -0.59 -2.54 0.00 0.00 175.29 172.03 12ca s PHE 93 N -3.00 0.21 0.36 9.60 -0.12 -0.96 -0.22 117.98 123.85 12ca s PHE 93 Ca 0.11 -0.43 -0.13 0.00 -0.05 0.00 0.00 56.93 56.43 12ca s PHE 93 Cb 0.00 -0.15 0.04 0.00 -0.63 0.00 0.00 43.02 42.28 12ca s PHE 93 CO -0.01 -0.17 0.71 -3.38 -0.05 0.00 0.00 175.22 172.32 12ca s HIS 94 N -1.26 0.29 0.26 3.49 -3.43 -0.54 -1.73 115.29 112.36 12ca s HIS 94 Ca -0.14 -0.85 0.02 0.00 -0.80 0.00 0.00 55.06 53.29 12ca s HIS 94 Cb -0.09 0.63 -0.05 0.00 -1.43 0.00 0.00 32.58 31.64 12ca s HIS 94 CO -0.01 -1.44 0.06 -0.06 -2.00 0.00 0.00 174.74 171.29 12ca s PHE 95 N -2.64 1.60 -0.06 0.38 0.40 -1.26 -1.41 117.98 114.99 12ca s PHE 95 Ca 0.18 -1.07 0.00 0.00 -0.60 0.00 0.00 56.93 55.44 12ca s PHE 95 Cb -0.04 -0.96 0.02 0.00 0.51 0.00 0.00 43.02 42.55 12ca s PHE 95 CO 0.13 -0.20 -0.03 -1.01 0.70 0.00 0.00 175.22 174.81 12ca s HIS 96 N -3.59 0.79 0.24 0.36 3.76 -0.63 -4.79 115.29 111.42 12ca s HIS 96 Ca 0.35 -0.24 0.02 0.00 -0.15 0.00 0.00 55.06 55.03 12ca s HIS 96 Cb 0.07 -0.77 -0.05 0.00 1.11 0.00 0.00 32.58 32.94 12ca s HIS 96 CO 0.12 -0.27 0.06 1.67 -0.85 0.00 0.00 174.74 175.47 12ca s TRP 97 N 1.38 1.49 0.54 1.40 -2.14 -1.24 -0.98 118.94 119.39 12ca s TRP 97 Ca -0.04 -1.09 0.05 0.00 2.66 0.00 0.00 56.10 57.68 12ca s TRP 97 Cb -0.13 -0.88 0.03 0.00 -3.10 0.00 0.00 33.47 29.39 12ca s TRP 97 CO -0.03 -0.24 0.32 0.20 -2.66 0.00 0.00 176.95 174.54 12ca s GLY 98 N -3.29 2.52 0.21 3.67 0.00 -1.22 -1.53 107.32 107.67 12ca s GLY 98 Ca 0.33 -1.07 0.10 0.00 0.00 0.00 0.00 44.72 44.08 12ca s GLY 98 CO 0.11 -2.00 1.43 1.48 0.00 0.00 0.00 173.10 174.12 12ca h SER 99 N 0.88 0.00 -4.22 1.64 4.64 -1.90 -3.39 113.55 111.21 12ca h SER 99 Ca -0.38 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.58 12ca h SER 99 Cb 1.31 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.25 12ca h SER 99 CO 0.61 0.77 -0.63 -0.76 -0.87 0.00 0.00 176.83 175.95 12ca s LEU 100 N -6.94 1.88 0.42 5.97 2.01 -1.26 -5.06 118.68 115.69 12ca s LEU 100 Ca 0.01 -1.32 0.29 0.00 0.01 0.00 0.00 54.13 53.12 12ca s LEU 100 Cb 0.10 -0.09 1.15 0.00 0.01 0.00 0.00 46.19 47.36 12ca s LEU 100 CO 0.78 -0.65 1.86 0.44 1.01 0.00 0.00 176.35 179.79 12ca h ASP 101 N 2.41 0.00 0.85 2.29 3.32 -1.90 -3.10 116.42 120.29 12ca h ASP 101 Ca -0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.67 12ca h ASP 101 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 12ca h ASP 101 CO 0.63 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.76 12ca n GLY 102 N 0.13 -1.35 3.19 2.75 0.00 -1.26 -3.65 105.19 105.01 12ca n GLY 102 Ca 0.02 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 12ca n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 12ca s GLN 103 N -3.01 0.80 0.00 1.61 -2.07 -1.17 -4.68 119.66 111.14 12ca s GLN 103 Ca 0.12 -0.94 0.00 0.00 -1.82 0.00 0.00 55.36 52.72 12ca s GLN 103 Cb 0.16 0.32 0.00 0.00 -1.09 0.00 0.00 33.01 32.40 12ca s GLN 103 CO 0.45 -0.24 0.00 0.41 -1.32 0.00 0.00 175.29 174.59 12ca n GLY 104 N 0.06 3.51 3.75 2.60 0.00 -0.99 -3.38 105.19 110.74 12ca n GLY 104 Ca -0.15 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 12ca n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 12ca s SER 105 N 0.00 3.99 -0.26 1.61 1.04 -0.83 -3.64 113.70 115.61 12ca s SER 105 Ca 0.00 1.60 -0.13 0.00 0.48 0.00 0.00 55.95 57.90 12ca s SER 105 Cb 0.00 -2.29 -0.11 0.00 0.10 0.00 0.00 66.02 63.71 12ca s SER 105 CO 0.00 -2.33 -0.34 -0.62 0.98 0.00 0.00 173.24 170.94 12ca n GLU 106 N -3.69 0.56 -2.79 4.02 1.02 -1.26 -4.81 120.64 113.69 12ca n GLU 106 Ca 0.08 0.24 -0.32 0.00 -0.02 0.00 0.00 57.16 57.14 12ca n GLU 106 Cb 0.54 -1.43 -0.05 0.00 -0.02 0.00 0.00 31.44 30.48 12ca n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 12ca s HIS 107 N -2.48 3.41 0.20 -0.32 3.76 -1.26 -4.44 115.29 114.16 12ca s HIS 107 Ca -0.37 1.31 0.05 0.00 -0.15 0.00 0.00 55.06 55.90 12ca s HIS 107 Cb 0.14 -2.64 -0.05 0.00 1.11 0.00 0.00 32.58 31.14 12ca s HIS 107 CO 0.46 -0.13 -0.06 0.95 -0.85 0.00 0.00 174.74 175.11 12ca s THR 108 N -2.31 1.21 -0.21 1.30 -4.23 -1.20 -4.72 115.64 105.48 12ca s THR 108 Ca 0.56 -2.07 -0.00 0.00 -1.18 0.00 0.00 61.69 59.00 12ca s THR 108 Cb -0.10 -2.14 0.06 0.00 1.34 0.00 0.00 72.50 71.66 12ca s THR 108 CO 0.25 -0.51 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.09 12ca s VAL 109 N -3.30 1.25 -1.54 2.29 1.01 -0.80 -1.13 120.40 118.19 12ca s VAL 109 Ca 0.23 -0.96 -0.13 0.00 0.00 0.00 0.00 61.98 61.12 12ca s VAL 109 Cb 0.04 -1.54 0.09 0.00 0.00 0.00 0.00 36.38 34.97 12ca s VAL 109 CO 0.06 -0.06 0.92 0.47 0.00 0.00 0.00 175.10 176.49 12ca n ASP 110 N 4.79 -4.20 0.00 3.32 8.00 -0.43 0.09 116.55 128.11 12ca n ASP 110 Ca -0.12 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.56 12ca n ASP 110 Cb 0.45 -3.71 0.00 0.00 -0.02 0.00 0.00 41.12 37.84 12ca n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 12ca n LYS 111 N -4.61 0.00 -2.40 -1.24 4.76 -1.26 -5.00 118.16 108.41 12ca n LYS 111 Ca 0.01 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.03 12ca n LYS 111 Cb 0.54 -2.12 -0.03 0.00 -1.84 0.00 0.00 35.03 31.58 12ca n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 12ca s LYS 112 N -0.04 4.41 -0.13 1.97 2.20 0.11 -4.99 119.74 123.28 12ca s LYS 112 Ca 0.00 1.79 -0.04 0.00 -0.36 0.00 0.00 55.97 57.35 12ca s LYS 112 Cb 0.00 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.91 12ca s LYS 112 CO 0.00 -0.30 0.03 0.15 -0.36 0.00 0.00 175.35 174.87 12ca s LYS 113 N 1.24 3.41 0.48 4.03 1.02 -1.26 -1.90 119.74 126.76 12ca s LYS 113 Ca 0.59 -0.37 0.04 0.00 0.02 0.00 0.00 55.97 56.25 12ca s LYS 113 Cb -0.29 -2.97 0.02 0.00 -0.52 0.00 0.00 37.83 34.06 12ca s LYS 113 CO 0.28 0.53 0.66 0.71 -0.92 0.00 0.00 175.35 176.62 12ca s TYR 114 N -0.38 2.88 0.34 3.18 1.51 -1.26 -4.67 117.35 118.94 12ca s TYR 114 Ca 0.08 -0.16 0.02 0.00 -1.01 0.00 0.00 57.07 56.00 12ca s TYR 114 Cb -0.12 -2.52 0.60 0.00 -0.11 0.00 0.00 41.96 39.81 12ca s TYR 114 CO 0.02 -0.59 1.95 0.00 -1.11 0.00 0.00 175.55 175.81 12ca h ALA 115 N 0.38 1.45 -2.75 3.71 0.00 -1.47 -2.11 119.26 118.48 12ca h ALA 115 Ca -0.42 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 54.48 12ca h ALA 115 Cb 1.28 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 12ca h ALA 115 CO 0.50 0.44 0.35 0.00 0.00 0.00 0.00 179.25 180.54 12ca s ALA 116 N -5.44 -1.30 -0.09 0.00 0.00 -1.06 -3.46 121.76 110.41 12ca s ALA 116 Ca -0.09 -0.27 -0.04 0.00 0.00 0.00 0.00 51.96 51.56 12ca s ALA 116 Cb 0.17 0.74 0.04 0.00 0.00 0.00 0.00 23.12 24.07 12ca s ALA 116 CO 0.77 -1.03 0.19 -2.00 0.00 0.00 0.00 175.76 173.68 12ca s GLU 117 N -3.22 0.13 -0.20 0.00 2.12 -0.15 -1.10 118.70 116.26 12ca s GLU 117 Ca 0.13 0.47 -0.13 0.00 0.36 0.00 0.00 54.97 55.80 12ca s GLU 117 Cb -0.04 -0.16 -0.04 0.00 0.26 0.00 0.00 34.13 34.14 12ca s GLU 117 CO 0.06 -0.19 0.29 -1.17 -0.54 0.00 0.00 175.26 173.71 12ca s LEU 118 N 1.42 4.17 -0.17 2.70 2.96 0.11 -1.60 118.68 128.26 12ca s LEU 118 Ca -0.07 0.38 0.01 0.00 -0.22 0.00 0.00 54.13 54.22 12ca s LEU 118 Cb -0.11 -2.34 0.01 0.00 0.50 0.00 0.00 46.19 44.25 12ca s LEU 118 CO -0.07 0.02 -0.19 -1.00 -1.32 0.00 0.00 176.35 173.79 12ca s HIS 119 N 0.99 2.76 -0.37 5.38 3.76 -0.50 -1.39 115.29 125.92 12ca s HIS 119 Ca 0.14 -1.44 -0.07 0.00 -0.15 0.00 0.00 55.06 53.54 12ca s HIS 119 Cb -0.14 -1.89 0.06 0.00 1.11 0.00 0.00 32.58 31.71 12ca s HIS 119 CO 0.05 -0.69 0.17 -0.51 -0.85 0.00 0.00 174.74 172.91 12ca s LEU 120 N 1.09 4.68 -0.03 0.89 1.02 -0.54 -1.46 118.68 124.33 12ca s LEU 120 Ca -0.00 -1.30 -0.21 0.00 0.02 0.00 0.00 54.13 52.63 12ca s LEU 120 Cb -0.14 -1.92 -0.05 0.00 0.02 0.00 0.00 46.19 44.10 12ca s LEU 120 CO -0.07 -0.41 0.62 0.00 0.02 0.00 0.00 176.35 176.50 12ca s ALA 121 N 1.41 3.43 0.09 4.21 0.00 0.69 -1.04 121.76 130.55 12ca s ALA 121 Ca 0.01 0.04 0.05 0.00 0.00 0.00 0.00 51.96 52.06 12ca s ALA 121 Cb -0.21 -2.80 -0.03 0.00 0.00 0.00 0.00 23.12 20.07 12ca s ALA 121 CO 0.02 0.06 -0.13 -1.01 0.00 0.00 0.00 175.76 174.71 12ca s HIS 122 N 0.21 1.21 0.03 0.00 3.76 0.17 -1.32 115.29 119.35 12ca s HIS 122 Ca 0.33 -0.53 0.06 0.00 -0.15 0.00 0.00 55.06 54.76 12ca s HIS 122 Cb -0.18 -0.66 -0.02 0.00 1.11 0.00 0.00 32.58 32.83 12ca s HIS 122 CO 0.17 0.06 -0.16 1.67 -0.85 0.00 0.00 174.74 175.63 12ca s TRP 123 N -1.78 1.42 -0.21 1.40 1.48 -0.65 -0.90 118.94 119.69 12ca s TRP 123 Ca 0.02 -0.35 -0.29 0.00 -1.06 0.00 0.00 56.10 54.43 12ca s TRP 123 Cb -0.07 -0.85 -0.03 0.00 -1.16 0.00 0.00 33.47 31.36 12ca s TRP 123 CO 0.02 0.05 1.64 1.21 -4.06 0.00 0.00 176.95 175.81 12ca s ASN 124 N -1.05 6.37 0.18 -2.66 3.84 -0.15 -1.24 114.94 120.22 12ca s ASN 124 Ca 0.04 1.68 0.14 0.00 0.21 0.00 0.00 52.86 54.93 12ca s ASN 124 Cb -0.08 -2.53 0.71 0.00 -0.55 0.00 0.00 41.25 38.80 12ca s ASN 124 CO 0.01 -1.26 1.43 0.35 -2.79 0.00 0.00 177.10 174.84 12ca n THR 125 N 6.38 1.33 0.56 -5.21 -2.24 -0.46 -2.32 114.28 112.32 12ca n THR 125 Ca 0.19 0.56 0.09 0.00 -2.27 0.00 0.00 64.05 62.61 12ca n THR 125 Cb 0.45 -1.53 0.38 0.00 -2.10 0.00 0.00 70.33 67.53 12ca n THR 125 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 12ca n LYS 127 N -1.94 0.03 0.00 -0.78 2.85 -1.26 0.97 118.16 118.03 12ca n LYS 127 Ca -0.00 0.23 0.15 0.00 -1.05 0.00 0.00 58.31 57.64 12ca n LYS 127 Cb 0.06 -1.55 0.69 0.00 -0.65 0.00 0.00 35.03 33.58 12ca n LYS 127 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 12ca n TYR 128 N -1.60 0.00 0.00 5.58 4.01 -0.98 -4.99 117.16 119.18 12ca n TYR 128 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 12ca n TYR 128 Cb 0.21 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 12ca n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 12ca n GLY 129 N 1.12 0.93 3.39 2.72 0.00 0.27 -4.60 105.19 109.02 12ca n GLY 129 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 12ca n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 12ca s ASP 130 N 0.00 0.00 0.08 1.61 1.47 -1.26 -5.04 116.67 113.53 12ca s ASP 130 Ca 0.00 -0.90 -0.25 0.00 1.18 0.00 0.00 52.55 52.58 12ca s ASP 130 Cb 0.00 0.47 -0.16 0.00 -0.34 0.00 0.00 42.92 42.89 12ca s ASP 130 CO 0.00 -0.95 1.70 0.15 0.68 0.00 0.00 175.17 176.75 12ca h PHE 131 N 2.47 -0.15 -0.37 2.11 3.57 -1.94 -2.93 116.94 119.69 12ca h PHE 131 Ca -0.31 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.30 12ca h PHE 131 Cb 1.24 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 40.01 12ca h PHE 131 CO 0.39 -0.08 0.28 0.78 -2.23 0.00 0.00 178.31 177.45 12ca h GLY 132 N -0.18 0.00 1.30 2.40 0.00 -1.97 -1.77 103.07 102.85 12ca h GLY 132 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.02 12ca h GLY 132 CO 0.03 0.00 -1.48 0.50 0.00 0.00 0.00 176.54 175.58 12ca h LYS 133 N 0.00 0.22 -0.10 4.80 1.79 -1.83 -3.35 116.57 118.10 12ca h LYS 133 Ca 0.18 -0.38 -0.11 0.00 -2.18 0.00 0.00 60.65 58.16 12ca h LYS 133 Cb 0.73 0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.51 12ca h LYS 133 CO -0.00 1.09 -0.41 0.00 -1.08 0.00 0.00 179.45 179.04 12ca h ALA 134 N 0.55 1.12 0.00 3.86 0.00 -1.15 -2.48 119.26 121.17 12ca h ALA 134 Ca -0.22 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.28 12ca h ALA 134 Cb 2.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.70 12ca h ALA 134 CO 0.16 0.59 0.00 1.33 0.00 0.00 0.00 179.25 181.33 12ca n VAL 135 N -4.02 0.00 -0.00 0.00 0.24 -0.92 -1.47 118.33 112.15 12ca n VAL 135 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 12ca n VAL 135 Cb 0.48 -0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 12ca n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 12ca n GLN 136 N -0.48 1.98 -4.99 7.34 6.02 -0.93 -4.95 117.38 121.37 12ca n GLN 136 Ca 0.00 -1.26 -0.30 0.00 -0.01 0.00 0.00 57.00 55.43 12ca n GLN 136 Cb 0.00 -1.01 -0.15 0.00 1.02 0.00 0.00 30.24 30.10 12ca n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 12ca s GLN 137 N -0.75 1.82 0.54 -1.09 -1.52 -0.54 -5.02 119.66 113.10 12ca s GLN 137 Ca 0.01 -1.01 0.26 0.00 -1.95 0.00 0.00 55.36 52.66 12ca s GLN 137 Cb 0.00 -1.91 1.53 0.00 -0.22 0.00 0.00 33.01 32.42 12ca s GLN 137 CO 0.01 0.50 2.15 -1.00 -0.25 0.00 0.00 175.29 176.70 12ca h PRO 138 N 5.05 0.00 -0.09 2.91 0.13 -1.84 -2.43 132.00 135.73 12ca h PRO 138 Ca -0.44 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.59 12ca h PRO 138 Cb 1.14 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.14 12ca h PRO 138 CO 0.45 0.07 -0.65 -0.40 -0.23 0.00 0.00 178.00 177.24 12ca n ASP 139 N -3.90 1.92 0.05 1.44 5.75 -1.26 -4.42 116.55 116.14 12ca n ASP 139 Ca -0.02 -3.49 -0.05 0.00 -0.01 0.00 0.00 54.79 51.21 12ca n ASP 139 Cb 0.16 -0.47 0.14 0.00 -1.03 0.00 0.00 41.12 39.92 12ca n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 12ca h GLY 140 N 1.17 0.42 -2.22 6.12 0.00 -1.29 -3.43 103.07 103.83 12ca h GLY 140 Ca -0.01 -0.44 -0.53 0.00 0.00 0.00 0.00 47.33 46.35 12ca h GLY 140 CO 0.11 0.40 -0.70 1.08 0.00 0.00 0.00 176.54 177.42 12ca s LEU 141 N -8.27 2.57 -0.10 3.11 1.43 -0.59 -0.98 118.68 115.85 12ca s LEU 141 Ca -0.06 -1.13 -0.03 0.00 -1.03 0.00 0.00 54.13 51.88 12ca s LEU 141 Cb 0.12 -0.80 0.04 0.00 0.03 0.00 0.00 46.19 45.58 12ca s LEU 141 CO 0.80 -0.21 0.09 0.00 0.23 0.00 0.00 176.35 177.26 12ca s ALA 142 N -2.83 0.23 -0.13 4.21 0.00 -0.08 -2.26 121.76 120.91 12ca s ALA 142 Ca 0.29 0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.32 12ca s ALA 142 Cb 0.01 -0.81 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 12ca s ALA 142 CO 0.12 -0.76 -0.17 0.08 0.00 0.00 0.00 175.76 175.03 12ca s VAL 143 N 2.18 2.63 -0.37 0.00 1.01 -1.04 -0.65 120.40 124.17 12ca s VAL 143 Ca 0.04 -0.80 -0.14 0.00 0.00 0.00 0.00 61.98 61.08 12ca s VAL 143 Cb -0.14 -2.08 -0.00 0.00 0.00 0.00 0.00 36.38 34.16 12ca s VAL 143 CO -0.06 0.53 0.26 -0.22 0.00 0.00 0.00 175.10 175.62 12ca s LEU 144 N 0.48 4.74 -0.17 3.92 0.20 -0.20 -1.97 118.68 125.68 12ca s LEU 144 Ca -0.12 -0.61 -0.07 0.00 0.69 0.00 0.00 54.13 54.02 12ca s LEU 144 Cb -0.16 -2.14 -0.04 0.00 -0.43 0.00 0.00 46.19 43.41 12ca s LEU 144 CO 0.05 -0.32 0.07 -0.83 -0.29 0.00 0.00 176.35 175.03 12ca s GLY 145 N 1.70 1.94 -0.04 7.98 0.00 0.51 -1.46 107.32 117.95 12ca s GLY 145 Ca 0.06 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.05 12ca s GLY 145 CO 0.10 -0.02 -0.01 -0.42 0.00 0.00 0.00 173.10 172.75 12ca s ILE 146 N 0.16 0.31 0.22 0.90 1.01 -0.48 -1.64 121.20 121.67 12ca s ILE 146 Ca 0.05 0.02 -0.15 0.00 0.00 0.00 0.00 60.65 60.58 12ca s ILE 146 Cb -0.12 -0.38 -0.08 0.00 0.01 0.00 0.00 42.46 41.89 12ca s ILE 146 CO 0.00 0.18 0.63 -0.36 0.00 0.00 0.00 174.94 175.39 12ca s PHE 147 N 1.06 3.53 -0.12 3.97 0.08 -1.26 0.07 117.98 125.30 12ca s PHE 147 Ca -0.09 1.13 0.03 0.00 0.12 0.00 0.00 56.93 58.12 12ca s PHE 147 Cb -0.14 -2.44 0.01 0.00 -0.57 0.00 0.00 43.02 39.88 12ca s PHE 147 CO -0.01 0.30 -0.21 -0.51 -0.10 0.00 0.00 175.22 174.68 12ca s LEU 148 N -2.37 2.04 0.15 -0.37 1.02 -0.26 -0.77 118.68 118.13 12ca s LEU 148 Ca 0.45 -0.56 0.10 0.00 0.02 0.00 0.00 54.13 54.14 12ca s LEU 148 Cb -0.13 -1.38 -0.04 0.00 0.02 0.00 0.00 46.19 44.66 12ca s LEU 148 CO 0.20 0.09 -0.23 -1.59 0.02 0.00 0.00 176.35 174.84 12ca s LYS 149 N 0.72 1.58 -0.12 1.70 -2.85 -0.22 -1.99 119.74 118.56 12ca s LYS 149 Ca -0.10 -1.34 -0.23 0.00 -1.00 0.00 0.00 55.97 53.30 12ca s LYS 149 Cb -0.16 -1.96 -0.03 0.00 -2.06 0.00 0.00 37.83 33.62 12ca s LYS 149 CO 0.01 0.44 0.72 0.08 0.10 0.00 0.00 175.35 176.70 12ca s VAL 150 N -1.28 5.00 0.00 1.79 1.01 -1.26 -1.14 120.40 124.52 12ca s VAL 150 Ca 0.18 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.59 12ca s VAL 150 Cb -0.10 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.24 12ca s VAL 150 CO 0.09 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.96 12ca n GLY 151 N 3.35 0.99 3.80 4.51 0.00 0.11 -4.89 105.19 113.06 12ca n GLY 151 Ca 0.00 0.36 -0.34 0.00 0.00 0.00 0.00 46.02 46.04 12ca n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 12ca s SER 152 N 2.00 6.16 0.77 1.61 0.01 -1.26 -3.70 113.70 119.30 12ca s SER 152 Ca 0.00 1.91 -0.13 0.00 1.31 0.00 0.00 55.95 59.03 12ca s SER 152 Cb 0.00 -2.55 0.06 0.00 0.21 0.00 0.00 66.02 63.74 12ca s SER 152 CO 0.00 -0.91 1.17 0.00 0.41 0.00 0.00 173.24 173.91 12ca s ALA 153 N -2.11 2.01 -0.39 1.44 0.00 -1.26 -1.90 121.76 119.55 12ca s ALA 153 Ca 0.66 0.72 -0.02 0.00 0.00 0.00 0.00 51.96 53.32 12ca s ALA 153 Cb -0.17 -3.43 0.10 0.00 0.00 0.00 0.00 23.12 19.62 12ca s ALA 153 CO 0.25 -2.03 0.17 0.21 0.00 0.00 0.00 175.76 174.36 12ca s LYS 154 N -4.21 2.00 0.14 0.00 2.47 -1.26 -4.76 119.74 114.13 12ca s LYS 154 Ca 0.70 -1.76 -0.19 0.00 -1.56 0.00 0.00 55.97 53.16 12ca s LYS 154 Cb -0.26 -3.51 0.03 0.00 -1.46 0.00 0.00 37.83 32.63 12ca s LYS 154 CO 0.49 -1.01 1.70 -1.00 0.16 0.00 0.00 175.35 175.68 12ca h PRO 155 N 8.00 0.02 0.00 4.03 0.13 -1.93 -1.46 132.00 140.80 12ca h PRO 155 Ca -0.13 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 12ca h PRO 155 Cb 1.05 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.17 12ca h PRO 155 CO 0.66 0.02 0.06 0.41 -0.23 0.00 0.00 178.00 178.92 12ca n GLY 156 N -1.24 -0.72 0.00 1.56 0.00 -1.26 -1.75 105.19 101.79 12ca n GLY 156 Ca -0.00 0.14 0.09 0.00 0.00 0.00 0.00 46.02 46.24 12ca n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 12ca n LEU 157 N -2.01 0.78 -0.27 0.99 7.94 -0.56 -4.63 117.00 119.25 12ca n LEU 157 Ca -0.01 -0.43 -0.05 0.00 -1.11 0.00 0.00 56.01 54.41 12ca n LEU 157 Cb 0.08 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.09 12ca n LEU 157 CO 0.06 0.20 1.15 -0.61 -1.11 0.00 0.00 177.39 177.08 12ca h GLN 158 N 0.00 0.99 -0.89 1.96 5.75 -1.26 -2.64 115.11 119.03 12ca h GLN 158 Ca 0.00 -0.09 0.11 0.00 -0.15 0.00 0.00 58.65 58.53 12ca h GLN 158 Cb 0.52 -0.21 -0.08 0.00 1.07 0.00 0.00 27.48 28.78 12ca h GLN 158 CO 0.00 0.70 0.52 0.87 -2.65 0.00 0.00 178.83 178.27 12ca h LYS 159 N 1.00 0.80 -0.27 1.69 1.57 -1.82 -1.08 116.57 118.46 12ca h LYS 159 Ca 0.26 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.94 12ca h LYS 159 Cb -0.04 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 12ca h LYS 159 CO -0.05 0.53 -0.06 0.28 -0.57 0.00 0.00 179.45 179.58 12ca h VAL 160 N 0.82 1.28 -0.57 0.50 2.07 -1.79 -3.19 116.25 115.37 12ca h VAL 160 Ca 0.44 -1.07 0.07 0.00 0.82 0.00 0.00 66.70 66.95 12ca h VAL 160 Cb 0.47 1.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.61 12ca h VAL 160 CO -0.28 0.34 0.27 0.58 0.02 0.00 0.00 177.57 178.50 12ca h VAL 161 N 0.27 0.89 -0.26 2.57 2.07 -1.16 -2.55 116.25 118.08 12ca h VAL 161 Ca 0.07 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 12ca h VAL 161 Cb 0.53 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 12ca h VAL 161 CO 0.03 0.09 0.11 0.44 0.02 0.00 0.00 177.57 178.26 12ca h ASP 162 N 0.50 0.31 0.62 0.57 3.32 -1.25 -2.99 116.42 117.50 12ca h ASP 162 Ca 0.27 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.30 12ca h ASP 162 Cb 0.23 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.70 12ca h ASP 162 CO -0.22 0.29 -0.28 0.55 -1.72 0.00 0.00 179.24 177.86 12ca n VAL 163 N -4.44 0.00 -0.16 -1.35 3.14 -0.97 -4.23 118.33 110.32 12ca n VAL 163 Ca 0.01 -0.02 0.06 0.00 -2.96 0.00 0.00 64.34 61.43 12ca n VAL 163 Cb 0.12 -0.02 0.36 0.00 -1.06 0.00 0.00 33.84 33.24 12ca n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 12ca h LEU 164 N 0.15 0.65 -1.50 6.55 3.38 -1.45 -1.21 115.31 121.88 12ca h LEU 164 Ca 0.00 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.14 12ca h LEU 164 Cb 0.48 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 12ca h LEU 164 CO 0.00 0.42 0.55 0.44 0.09 0.00 0.00 178.44 179.95 12ca h ASP 165 N 0.74 0.44 0.78 -0.43 3.32 -1.79 -0.73 116.42 118.75 12ca h ASP 165 Ca 0.29 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.29 12ca h ASP 165 Cb 0.21 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 12ca h ASP 165 CO -0.09 0.21 -0.39 0.28 -1.72 0.00 0.00 179.24 177.52 12ca h SER 166 N 0.46 0.00 -0.64 6.45 0.02 -1.50 -3.29 113.55 115.05 12ca h SER 166 Ca 0.42 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.92 12ca h SER 166 Cb 0.95 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.08 12ca h SER 166 CO -0.16 0.39 -0.90 2.30 -1.14 0.00 0.00 176.83 177.33 12ca n ILE 167 N -3.59 2.15 -0.24 3.27 -5.35 -0.32 -4.73 119.36 110.54 12ca n ILE 167 Ca -0.00 -3.81 0.03 0.00 -0.27 0.00 0.00 62.75 58.70 12ca n ILE 167 Cb 0.51 -0.42 0.16 0.00 -1.74 0.00 0.00 39.64 38.15 12ca n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 12ca h LYS 168 N 2.26 0.41 -5.98 6.28 3.64 -1.52 -3.43 116.57 118.23 12ca h LYS 168 Ca 0.21 -0.02 -0.55 0.00 -1.27 0.00 0.00 60.65 59.02 12ca h LYS 168 Cb 1.46 -0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 33.11 12ca h LYS 168 CO 0.58 0.27 -0.49 0.95 -2.27 0.00 0.00 179.45 178.48 12ca s THR 169 N -6.05 2.51 0.02 1.00 -4.23 -1.26 -0.43 115.64 107.21 12ca s THR 169 Ca -0.13 -1.66 -0.30 0.00 -1.18 0.00 0.00 61.69 58.42 12ca s THR 169 Cb 0.19 -2.98 -0.08 0.00 1.34 0.00 0.00 72.50 70.97 12ca s THR 169 CO 0.76 -0.05 1.88 -0.75 -0.54 0.00 0.00 174.62 175.92 12ca s LYS 170 N -3.91 4.15 0.00 3.99 2.20 -0.77 -2.19 119.74 123.20 12ca s LYS 170 Ca 0.41 2.51 0.00 0.00 -0.36 0.00 0.00 55.97 58.54 12ca s LYS 170 Cb 0.01 -4.07 0.00 0.00 -1.51 0.00 0.00 37.83 32.26 12ca s LYS 170 CO 0.23 -0.92 0.00 0.41 -0.36 0.00 0.00 175.35 174.71 12ca n GLY 171 N 4.42 2.99 3.78 5.54 0.00 0.32 -4.51 105.19 117.73 12ca n GLY 171 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 12ca n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 12ca s LYS 172 N -0.60 3.91 0.07 1.61 -0.14 -0.93 -4.86 119.74 118.80 12ca s LYS 172 Ca 0.00 1.68 -0.06 0.00 -1.36 0.00 0.00 55.97 56.22 12ca s LYS 172 Cb 0.00 -2.45 -0.01 0.00 -1.68 0.00 0.00 37.83 33.68 12ca s LYS 172 CO 0.00 -0.40 0.12 -1.54 -0.76 0.00 0.00 175.35 172.77 12ca s SER 173 N -1.44 0.24 -0.16 2.83 1.04 -1.26 -1.46 113.70 113.48 12ca s SER 173 Ca 0.61 -0.75 -0.14 0.00 0.48 0.00 0.00 55.95 56.15 12ca s SER 173 Cb -0.26 0.29 0.04 0.00 0.10 0.00 0.00 66.02 66.20 12ca s SER 173 CO 0.32 -0.68 0.43 0.00 0.98 0.00 0.00 173.24 174.29 12ca s ALA 174 N -3.82 -1.06 0.27 5.32 0.00 0.77 -4.91 121.76 118.32 12ca s ALA 174 Ca 0.05 1.25 -0.30 0.00 0.00 0.00 0.00 51.96 52.96 12ca s ALA 174 Cb 0.06 -0.73 -0.14 0.00 0.00 0.00 0.00 23.12 22.31 12ca s ALA 174 CO -0.10 -0.21 1.26 -0.25 0.00 0.00 0.00 175.76 176.46 12ca n ASP 175 N 3.05 2.27 -2.93 0.00 8.00 -1.26 -0.26 116.55 125.42 12ca n ASP 175 Ca -0.15 1.17 -0.13 0.00 0.71 0.00 0.00 54.79 56.39 12ca n ASP 175 Cb 0.57 -1.38 -0.00 0.00 -0.02 0.00 0.00 41.12 40.28 12ca n ASP 175 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 12ca n PHE 176 N 1.12 -2.48 -3.35 1.24 7.35 -0.41 -4.72 117.46 116.21 12ca n PHE 176 Ca 0.10 -2.27 -0.21 0.00 -0.76 0.00 0.00 57.45 54.31 12ca n PHE 176 Cb 0.32 0.95 -0.00 0.00 0.35 0.00 0.00 39.48 41.09 12ca n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 12ca s THR 177 N 0.22 4.21 -1.64 -2.13 -4.23 -1.25 -2.54 115.64 108.28 12ca s THR 177 Ca 0.32 -0.80 -0.03 0.00 -1.18 0.00 0.00 61.69 60.01 12ca s THR 177 Cb 0.14 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.49 12ca s THR 177 CO -0.17 -0.25 0.33 0.59 -0.54 0.00 0.00 174.62 174.58 12ca n ASN 178 N -1.78 -5.98 -4.62 3.99 4.13 -1.26 -4.94 115.26 104.80 12ca n ASN 178 Ca -0.01 -0.16 -0.37 0.00 1.68 0.00 0.00 54.58 55.71 12ca n ASN 178 Cb 0.58 -4.89 -0.10 0.00 -1.54 0.00 0.00 39.78 33.83 12ca n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 12ca s PHE 179 N -3.11 3.26 -0.36 3.10 5.36 -1.26 -5.03 117.98 119.94 12ca s PHE 179 Ca 0.16 0.17 -0.14 0.00 -0.96 0.00 0.00 56.93 56.17 12ca s PHE 179 Cb -0.07 -2.34 -0.01 0.00 -0.34 0.00 0.00 43.02 40.26 12ca s PHE 179 CO 0.20 -0.08 0.27 0.34 -1.46 0.00 0.00 175.22 174.50 12ca s ASP 180 N 1.49 6.08 0.52 6.13 -1.08 -1.26 -4.40 116.67 124.16 12ca s ASP 180 Ca 0.07 -0.52 0.34 0.00 -0.52 0.00 0.00 52.55 51.92 12ca s ASP 180 Cb -0.15 -2.15 1.48 0.00 -1.46 0.00 0.00 42.92 40.64 12ca s ASP 180 CO 0.09 -0.30 2.00 -0.65 0.52 0.00 0.00 175.17 176.82 12ca h PRO 181 N 8.53 0.00 0.00 4.34 0.11 -1.96 -3.13 132.00 139.89 12ca h PRO 181 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 12ca h PRO 181 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 12ca h PRO 181 CO 0.66 0.00 0.04 0.00 -0.21 0.00 0.00 178.00 178.50 12ca h ARG 182 N 0.00 0.00 0.00 1.05 3.08 -1.93 0.11 114.38 116.69 12ca h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 12ca h ARG 182 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 12ca h ARG 182 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 12ca n GLY 183 N -1.19 -1.60 0.46 0.04 0.00 -1.18 -3.23 105.19 98.49 12ca n GLY 183 Ca -0.02 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.09 12ca n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 12ca n LEU 184 N -2.11 1.94 -4.79 0.99 4.77 0.38 -4.46 117.00 113.73 12ca n LEU 184 Ca 0.05 -0.73 -0.39 0.00 -0.03 0.00 0.00 56.01 54.92 12ca n LEU 184 Cb 0.38 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.41 12ca n LEU 184 CO 0.28 0.37 0.40 -0.76 -1.33 0.00 0.00 177.39 176.35 12ca s LEU 185 N -2.52 4.55 1.00 2.23 1.43 -1.20 -4.95 118.68 119.22 12ca s LEU 185 Ca 0.18 1.49 -0.12 0.00 -1.03 0.00 0.00 54.13 54.64 12ca s LEU 185 Cb 0.18 -3.19 0.19 0.00 0.03 0.00 0.00 46.19 43.40 12ca s LEU 185 CO 0.59 0.21 1.09 -2.16 0.23 0.00 0.00 176.35 176.32 12ca s PRO 186 N -1.23 0.40 0.02 1.29 0.04 -1.26 -4.99 135.00 129.27 12ca s PRO 186 Ca 0.34 0.53 -0.25 0.00 0.04 0.00 0.00 61.00 61.66 12ca s PRO 186 Cb -0.21 -1.73 -0.18 0.00 0.04 0.00 0.00 34.50 32.42 12ca s PRO 186 CO 0.23 -2.75 1.37 1.49 0.04 0.00 0.00 177.00 177.38 12ca h GLU 187 N -1.91 -0.16 -6.63 4.56 4.81 -1.92 -3.44 114.58 109.89 12ca h GLU 187 Ca -0.55 0.01 -0.51 0.00 -0.13 0.00 0.00 59.36 58.19 12ca h GLU 187 Cb 1.33 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.72 12ca h GLU 187 CO 0.57 0.15 0.13 0.45 -0.73 0.00 0.00 179.01 179.58 12ca s SER 188 N -5.33 7.04 -0.11 1.04 0.15 -1.26 -5.01 113.70 110.22 12ca s SER 188 Ca -0.15 1.44 0.15 0.00 0.70 0.00 0.00 55.95 58.09 12ca s SER 188 Cb 0.03 -2.43 0.50 0.00 -1.71 0.00 0.00 66.02 62.41 12ca s SER 188 CO 0.62 -0.02 1.42 0.18 1.20 0.00 0.00 173.24 176.64 12ca n LEU 189 N 0.51 3.80 -4.75 3.45 4.77 -1.26 -4.81 117.00 118.71 12ca n LEU 189 Ca -0.01 -2.56 -0.41 0.00 -0.03 0.00 0.00 56.01 52.99 12ca n LEU 189 Cb 0.51 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 12ca n LEU 189 CO 0.43 0.72 1.21 -1.81 -1.33 0.00 0.00 177.39 176.60 12ca s ASP 190 N -1.38 6.43 0.23 -1.43 1.01 -1.26 -4.73 116.67 115.54 12ca s ASP 190 Ca 0.38 2.89 -0.03 0.00 0.71 0.00 0.00 52.55 56.50 12ca s ASP 190 Cb 0.27 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.53 12ca s ASP 190 CO 0.14 -0.86 0.24 -0.72 0.21 0.00 0.00 175.17 174.18 12ca s TYR 191 N -0.08 1.03 0.04 4.23 1.13 -1.26 -0.95 117.35 121.49 12ca s TYR 191 Ca 0.62 -1.25 0.08 0.00 -1.41 0.00 0.00 57.07 55.10 12ca s TYR 191 Cb -0.46 -0.38 -0.03 0.00 -1.10 0.00 0.00 41.96 39.99 12ca s TYR 191 CO 0.48 -0.76 -0.23 -1.58 -2.51 0.00 0.00 175.55 170.94 12ca s TRP 192 N -4.02 2.05 -0.03 -3.49 0.51 -0.40 -1.57 118.94 112.00 12ca s TRP 192 Ca 0.35 -0.39 -0.03 0.00 -2.12 0.00 0.00 56.10 53.91 12ca s TRP 192 Cb 0.05 -1.23 0.01 0.00 -0.81 0.00 0.00 33.47 31.48 12ca s TRP 192 CO 0.13 0.10 0.08 -0.08 -0.51 0.00 0.00 176.95 176.67 12ca s THR 193 N -0.79 0.02 0.06 2.01 -1.32 -0.08 -1.29 115.64 114.25 12ca s THR 193 Ca 0.09 -0.13 -0.26 0.00 -1.21 0.00 0.00 61.69 60.18 12ca s THR 193 Cb -0.09 -0.17 0.08 0.00 -1.51 0.00 0.00 72.50 70.81 12ca s THR 193 CO 0.02 -0.07 0.72 -0.72 -2.21 0.00 0.00 174.62 172.35 12ca s TYR 194 N -0.19 -0.49 -0.33 9.09 1.13 -1.07 -1.93 117.35 123.56 12ca s TYR 194 Ca -0.03 0.43 -0.27 0.00 -1.41 0.00 0.00 57.07 55.80 12ca s TYR 194 Cb -0.02 0.53 0.01 0.00 -1.10 0.00 0.00 41.96 41.38 12ca s TYR 194 CO 0.00 -0.70 0.96 -2.14 -2.51 0.00 0.00 175.55 171.16 12ca s PRO 195 N -3.05 3.98 0.00 -3.49 0.02 -1.26 -1.32 135.00 129.88 12ca s PRO 195 Ca 0.00 0.82 0.00 0.00 0.02 0.00 0.00 61.00 61.84 12ca s PRO 195 Cb -0.01 -3.75 0.00 0.00 0.02 0.00 0.00 34.50 30.76 12ca s PRO 195 CO -0.08 -0.85 0.00 0.41 -0.33 0.00 0.00 177.00 176.15 12ca n GLY 196 N 4.09 5.44 3.34 0.52 0.00 0.13 -4.82 105.19 113.88 12ca n GLY 196 Ca 0.09 -1.17 -0.21 0.00 0.00 0.00 0.00 46.02 44.72 12ca n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 12ca s SER 197 N 1.00 1.99 0.33 1.61 1.04 -1.09 -2.47 113.70 116.11 12ca s SER 197 Ca 0.00 -1.76 -0.27 0.00 0.48 0.00 0.00 55.95 54.39 12ca s SER 197 Cb 0.00 0.57 -0.09 0.00 0.10 0.00 0.00 66.02 66.60 12ca s SER 197 CO 0.00 -1.05 1.07 -0.76 0.98 0.00 0.00 173.24 173.48 12ca s LEU 198 N -3.44 4.39 0.00 2.42 1.43 -0.90 -4.50 118.68 118.08 12ca s LEU 198 Ca 0.37 2.17 0.16 0.00 -1.03 0.00 0.00 54.13 55.79 12ca s LEU 198 Cb 0.02 -3.85 0.55 0.00 0.03 0.00 0.00 46.19 42.94 12ca s LEU 198 CO 0.25 -0.28 1.41 0.35 0.23 0.00 0.00 176.35 178.32 12ca n THR 199 N 0.69 0.31 -4.07 5.49 -2.24 -1.26 -4.39 114.28 108.82 12ca n THR 199 Ca 0.01 -0.38 -0.09 0.00 -2.27 0.00 0.00 64.05 61.32 12ca n THR 199 Cb 0.47 0.28 -0.11 0.00 -2.10 0.00 0.00 70.33 68.87 12ca n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 12ca s THR 200 N -1.69 0.33 0.57 4.28 -4.23 -1.26 -4.74 115.64 108.90 12ca s THR 200 Ca 0.28 -1.42 -0.18 0.00 -1.18 0.00 0.00 61.69 59.19 12ca s THR 200 Cb 0.15 -0.99 -0.10 0.00 1.34 0.00 0.00 72.50 72.89 12ca s THR 200 CO 0.21 -0.71 0.38 -2.65 -0.54 0.00 0.00 174.62 171.31 12ca n PRO 201 N 0.79 0.38 0.00 3.99 -0.02 -1.26 -0.80 135.00 138.08 12ca n PRO 201 Ca -0.18 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 12ca n PRO 201 Cb 0.58 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 12ca n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 12ca n PRO 202 N 0.26 0.00 -2.77 0.52 -0.04 -1.26 -4.98 135.00 126.72 12ca n PRO 202 Ca 0.11 0.01 -0.14 0.00 -0.04 0.00 0.00 63.50 63.44 12ca n PRO 202 Cb 0.48 -1.51 -0.01 0.00 -0.04 0.00 0.00 33.50 32.42 12ca n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 12ca n LEU 203 N -0.88 -1.07 -4.71 1.53 4.77 0.02 -4.87 117.00 111.80 12ca n LEU 203 Ca 0.00 0.04 -0.43 0.00 -0.03 0.00 0.00 56.01 55.59 12ca n LEU 203 Cb 0.01 -1.93 -0.02 0.00 -2.33 0.00 0.00 43.42 39.14 12ca n LEU 203 CO 0.00 -0.01 1.19 0.18 -1.33 0.00 0.00 177.39 177.42 12ca n LEU 204 N -3.06 3.81 -3.74 2.23 4.77 -1.26 -4.37 117.00 115.38 12ca n LEU 204 Ca -0.08 1.12 -0.42 0.00 -0.03 0.00 0.00 56.01 56.61 12ca n LEU 204 Cb 0.57 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.13 12ca n LEU 204 CO 0.26 -0.07 2.24 -0.62 -1.33 0.00 0.00 177.39 177.87 12ca n GLU 205 N 2.55 3.67 0.00 3.23 1.02 -1.26 -2.12 120.64 127.73 12ca n GLU 205 Ca 0.12 -3.28 0.00 0.00 -0.02 0.00 0.00 57.16 53.97 12ca n GLU 205 Cb 0.34 -2.92 0.00 0.00 -0.02 0.00 0.00 31.44 28.84 12ca n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 12ca s VAL 207 N -0.21 5.45 -0.45 0.00 1.01 -1.03 -1.55 120.40 123.63 12ca s VAL 207 Ca 0.00 0.17 -0.10 0.00 0.00 0.00 0.00 61.98 62.05 12ca s VAL 207 Cb 0.00 -3.38 0.09 0.00 0.00 0.00 0.00 36.38 33.09 12ca s VAL 207 CO 0.00 0.60 0.31 -0.89 0.00 0.00 0.00 175.10 175.12 12ca s THR 208 N -1.04 4.34 0.12 3.92 2.01 -0.96 0.17 115.64 124.19 12ca s THR 208 Ca 0.16 -1.51 -0.23 0.00 0.31 0.00 0.00 61.69 60.41 12ca s THR 208 Cb -0.12 -3.72 -0.07 0.00 0.01 0.00 0.00 72.50 68.60 12ca s THR 208 CO 0.05 -0.62 0.71 0.26 -0.69 0.00 0.00 174.62 174.33 12ca s TRP 209 N 1.43 3.85 -0.29 4.92 0.52 -0.43 -2.48 118.94 126.44 12ca s TRP 209 Ca 0.04 1.49 -0.02 0.00 0.02 0.00 0.00 56.10 57.63 12ca s TRP 209 Cb -0.24 -2.69 0.10 0.00 -1.15 0.00 0.00 33.47 29.48 12ca s TRP 209 CO 0.01 0.49 0.10 0.42 0.02 0.00 0.00 176.95 178.00 12ca s ILE 210 N -0.94 0.52 -0.25 2.03 1.01 -0.83 -2.60 121.20 120.14 12ca s ILE 210 Ca 0.34 -1.11 -0.07 0.00 0.00 0.00 0.00 60.65 59.81 12ca s ILE 210 Cb -0.22 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 12ca s ILE 210 CO 0.23 -0.66 0.06 -0.69 0.00 0.00 0.00 174.94 173.89 12ca s VAL 211 N 1.81 4.27 0.33 2.92 1.01 -0.41 -0.36 120.40 129.96 12ca s VAL 211 Ca 0.09 -0.19 -0.28 0.00 0.00 0.00 0.00 61.98 61.60 12ca s VAL 211 Cb -0.17 -2.99 -0.10 0.00 0.00 0.00 0.00 36.38 33.12 12ca s VAL 211 CO -0.28 0.35 1.26 -0.76 0.00 0.00 0.00 175.10 175.67 12ca s LEU 212 N 1.57 4.42 0.01 3.92 2.01 -0.65 -1.27 118.68 128.68 12ca s LEU 212 Ca 0.06 2.59 -0.25 0.00 0.01 0.00 0.00 54.13 56.54 12ca s LEU 212 Cb -0.15 -3.69 -0.19 0.00 0.01 0.00 0.00 46.19 42.17 12ca s LEU 212 CO 0.03 -0.50 1.39 0.50 1.01 0.00 0.00 176.35 178.79 12ca h LYS 213 N 3.35 -0.01 -6.23 1.70 3.64 -1.39 -3.44 116.57 114.20 12ca h LYS 213 Ca -0.49 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.32 12ca h LYS 213 Cb 1.23 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.99 12ca h LYS 213 CO 0.65 0.34 0.87 -2.00 -2.27 0.00 0.00 179.45 177.04 12ca s GLU 214 N -4.78 4.12 0.65 1.90 2.12 -1.26 -5.02 118.70 116.43 12ca s GLU 214 Ca -0.15 1.31 -0.11 0.00 0.36 0.00 0.00 54.97 56.38 12ca s GLU 214 Cb 0.03 -3.75 -0.02 0.00 0.26 0.00 0.00 34.13 30.65 12ca s GLU 214 CO 0.67 -0.84 1.05 -1.25 -0.54 0.00 0.00 175.26 174.35 12ca s PRO 215 N 3.61 3.29 0.03 4.30 0.04 -1.26 -4.73 135.00 140.28 12ca s PRO 215 Ca 0.49 0.61 0.02 0.00 0.04 0.00 0.00 61.00 62.16 12ca s PRO 215 Cb -0.16 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 12ca s PRO 215 CO 0.14 -0.75 0.02 0.96 0.04 0.00 0.00 177.00 177.41 12ca s ILE 216 N -3.24 4.23 0.04 0.56 -4.36 0.05 -4.92 121.20 113.56 12ca s ILE 216 Ca 0.56 -0.68 0.02 0.00 -0.26 0.00 0.00 60.65 60.29 12ca s ILE 216 Cb -0.11 -2.93 -0.04 0.00 1.25 0.00 0.00 42.46 40.63 12ca s ILE 216 CO 0.53 0.30 0.06 -0.94 0.24 0.00 0.00 174.94 175.13 12ca s SER 217 N -1.81 5.49 0.08 4.36 1.04 -1.26 -1.05 113.70 120.54 12ca s SER 217 Ca 0.22 0.04 0.01 0.00 0.48 0.00 0.00 55.95 56.70 12ca s SER 217 Cb -0.12 -1.50 -0.04 0.00 0.10 0.00 0.00 66.02 64.47 12ca s SER 217 CO 0.13 0.23 -0.06 0.68 0.98 0.00 0.00 173.24 175.21 12ca s VAL 218 N -1.26 0.52 0.55 5.02 -7.23 -0.30 -4.10 120.40 113.61 12ca s VAL 218 Ca 0.25 -1.76 -0.11 0.00 -1.81 0.00 0.00 61.98 58.55 12ca s VAL 218 Cb -0.12 -1.46 -0.05 0.00 0.56 0.00 0.00 36.38 35.31 12ca s VAL 218 CO 0.17 -0.84 0.95 -0.94 -0.31 0.00 0.00 175.10 174.13 12ca s SER 219 N -2.78 6.35 0.32 4.85 1.04 -1.02 0.04 113.70 122.50 12ca s SER 219 Ca 0.07 1.32 0.03 0.00 0.48 0.00 0.00 55.95 57.85 12ca s SER 219 Cb 0.04 -2.42 0.63 0.00 0.10 0.00 0.00 66.02 64.36 12ca s SER 219 CO -0.05 -0.71 1.89 -1.28 0.98 0.00 0.00 173.24 174.07 12ca h SER 220 N 0.20 0.83 -0.19 7.02 0.87 -1.92 -2.26 113.55 118.10 12ca h SER 220 Ca -0.45 0.02 -0.17 0.00 -1.23 0.00 0.00 61.79 59.96 12ca h SER 220 Cb 1.19 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 63.00 12ca h SER 220 CO 0.62 0.49 -0.52 1.05 -0.53 0.00 0.00 176.83 177.94 12ca h GLU 221 N 0.91 0.77 0.61 2.24 9.09 -1.94 -1.03 114.58 125.23 12ca h GLU 221 Ca 0.42 -0.47 -0.03 0.00 0.05 0.00 0.00 59.36 59.33 12ca h GLU 221 Cb 0.40 0.05 0.01 0.00 -1.65 0.00 0.00 28.75 27.55 12ca h GLU 221 CO -0.18 1.10 -0.29 1.96 0.05 0.00 0.00 179.01 181.64 12ca h GLN 222 N 0.60 -0.78 -0.90 1.06 4.20 -1.83 -2.94 115.11 114.52 12ca h GLN 222 Ca 0.02 0.05 0.09 0.00 0.06 0.00 0.00 58.65 58.87 12ca h GLN 222 Cb 1.10 0.18 -0.07 0.00 0.30 0.00 0.00 27.48 28.99 12ca h GLN 222 CO 0.11 -0.52 0.55 -0.24 -0.67 0.00 0.00 178.83 178.06 12ca h VAL 223 N -0.83 0.98 -0.31 -0.54 3.04 -1.45 -2.14 116.25 114.99 12ca h VAL 223 Ca -0.08 -0.32 0.09 0.00 -1.01 0.00 0.00 66.70 65.37 12ca h VAL 223 Cb 0.63 -0.05 -0.01 0.00 -2.01 0.00 0.00 31.29 29.85 12ca h VAL 223 CO 0.14 0.17 0.23 -0.07 -1.01 0.00 0.00 177.57 177.03 12ca h LEU 224 N 0.94 0.00 -0.79 3.16 3.38 -1.09 -1.82 115.31 119.09 12ca h LEU 224 Ca 0.42 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.30 12ca h LEU 224 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 12ca h LEU 224 CO -0.22 0.00 -0.40 0.11 0.09 0.00 0.00 178.44 178.02 12ca h LYS 225 N 0.00 0.00 -0.48 1.13 1.57 -1.20 -3.04 116.57 114.55 12ca h LYS 225 Ca 0.15 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 12ca h LYS 225 Cb 0.61 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 12ca h LYS 225 CO -0.00 0.40 0.19 0.74 -0.57 0.00 0.00 179.45 180.22 12ca h PHE 226 N 0.00 0.72 0.00 -1.35 -1.00 -1.38 -2.95 116.94 110.98 12ca h PHE 226 Ca -0.00 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.72 12ca h PHE 226 Cb 0.98 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 40.32 12ca h PHE 226 CO 0.00 0.60 0.00 0.54 -1.61 0.00 0.00 178.31 177.84 12ca n ARG 227 N -4.58 0.27 0.00 1.51 1.74 -1.15 -2.57 116.66 111.87 12ca n ARG 227 Ca 0.01 0.11 0.12 0.00 -0.77 0.00 0.00 57.85 57.32 12ca n ARG 227 Cb 0.15 -1.50 0.12 0.00 -1.02 0.00 0.00 32.46 30.21 12ca n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 12ca n LYS 228 N -1.20 0.95 -1.17 5.56 5.02 -1.11 -4.46 118.16 121.73 12ca n LYS 228 Ca 0.08 -0.72 -0.30 0.00 -2.02 0.00 0.00 58.31 55.34 12ca n LYS 228 Cb 0.09 -1.49 0.12 0.00 -0.02 0.00 0.00 35.03 33.73 12ca n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 12ca s LEU 229 N -2.55 2.70 0.01 -0.35 1.02 -1.06 -4.88 118.68 113.57 12ca s LEU 229 Ca 0.19 1.73 0.07 0.00 0.02 0.00 0.00 54.13 56.14 12ca s LEU 229 Cb 0.18 -4.29 -0.02 0.00 0.02 0.00 0.00 46.19 42.09 12ca s LEU 229 CO 0.58 -2.39 -0.21 0.20 0.02 0.00 0.00 176.35 174.55 12ca s ASN 230 N -3.32 2.44 -0.01 2.29 0.02 0.43 -0.79 114.94 116.00 12ca s ASN 230 Ca 0.63 -0.43 -0.21 0.00 -1.02 0.00 0.00 52.86 51.82 12ca s ASN 230 Cb -0.18 -0.24 -0.24 0.00 0.02 0.00 0.00 41.25 40.61 12ca s ASN 230 CO 0.57 0.22 1.07 -0.26 0.02 0.00 0.00 177.10 178.72 12ca h PHE 231 N 5.31 0.51 -4.27 2.20 0.04 -1.58 -3.35 116.94 115.80 12ca h PHE 231 Ca -0.41 -0.28 -0.52 0.00 2.80 0.00 0.00 57.97 59.57 12ca h PHE 231 Cb 1.15 -0.06 0.17 0.00 2.20 0.00 0.00 35.95 39.41 12ca h PHE 231 CO 0.44 1.10 0.26 0.54 -0.60 0.00 0.00 178.31 180.05 12ca s ASN 232 N -6.64 3.56 0.48 2.17 4.22 -1.26 -4.27 114.94 113.19 12ca s ASN 232 Ca -0.14 2.01 0.01 0.00 -2.14 0.00 0.00 52.86 52.61 12ca s ASN 232 Cb 0.03 -2.54 0.01 0.00 1.28 0.00 0.00 41.25 40.03 12ca s ASN 232 CO 0.80 -2.67 0.69 -0.83 -2.04 0.00 0.00 177.10 173.05 12ca s GLY 233 N -2.99 1.67 0.12 0.45 0.00 -1.26 -1.85 107.32 103.45 12ca s GLY 233 Ca 0.64 -1.19 -0.31 0.00 0.00 0.00 0.00 44.72 43.87 12ca s GLY 233 CO 0.57 -0.98 1.85 1.85 0.00 0.00 0.00 173.10 176.39 12ca s GLU 234 N -4.60 4.13 0.00 2.90 2.12 -1.26 -2.17 118.70 119.82 12ca s GLU 234 Ca 0.51 2.60 0.00 0.00 0.36 0.00 0.00 54.97 58.45 12ca s GLU 234 Cb -0.10 -3.64 0.00 0.00 0.26 0.00 0.00 34.13 30.65 12ca s GLU 234 CO 0.38 -0.86 0.00 0.41 -0.54 0.00 0.00 175.26 174.65 12ca n GLY 235 N 4.27 0.68 3.72 -1.50 0.00 -1.26 -5.09 105.19 106.01 12ca n GLY 235 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 12ca n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 12ca s GLU 236 N -0.93 2.47 0.36 1.61 2.02 -0.92 -5.08 118.70 118.22 12ca s GLU 236 Ca 0.00 -1.38 -0.26 0.00 0.02 0.00 0.00 54.97 53.35 12ca s GLU 236 Cb 0.00 -2.26 -0.12 0.00 0.10 0.00 0.00 34.13 31.85 12ca s GLU 236 CO 0.00 0.28 1.06 -2.30 0.02 0.00 0.00 175.26 174.32 12ca n PRO 237 N -1.06 1.51 -2.94 0.39 -0.02 -1.26 -4.86 135.00 126.76 12ca n PRO 237 Ca -0.05 0.53 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 12ca n PRO 237 Cb 0.60 -2.03 -0.05 0.00 -0.02 0.00 0.00 33.50 31.99 12ca n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 12ca s GLU 238 N -1.84 4.03 -0.32 -0.52 2.12 -1.26 -4.77 118.70 116.15 12ca s GLU 238 Ca 0.60 0.68 0.01 0.00 0.36 0.00 0.00 54.97 56.62 12ca s GLU 238 Cb -0.61 -3.70 0.07 0.00 0.26 0.00 0.00 34.13 30.16 12ca s GLU 238 CO 0.59 -0.62 0.02 -2.00 -0.54 0.00 0.00 175.26 172.70 12ca s GLU 239 N 2.90 2.11 0.35 4.30 2.12 -1.26 -5.08 118.70 124.14 12ca s GLU 239 Ca 0.33 -1.51 -0.28 0.00 0.36 0.00 0.00 54.97 53.86 12ca s GLU 239 Cb -0.14 -3.18 -0.11 0.00 0.26 0.00 0.00 34.13 30.96 12ca s GLU 239 CO 0.11 -0.75 1.42 -0.51 -0.54 0.00 0.00 175.26 174.99 12ca s LEU 240 N 1.12 4.36 -1.02 2.70 1.43 -1.26 -1.65 118.68 124.36 12ca s LEU 240 Ca -0.01 2.89 -0.20 0.00 -1.03 0.00 0.00 54.13 55.79 12ca s LEU 240 Cb -0.20 -3.66 0.10 0.00 0.03 0.00 0.00 46.19 42.46 12ca s LEU 240 CO -0.04 -0.74 1.32 -0.32 0.23 0.00 0.00 176.35 176.79 12ca s MET 241 N -1.81 3.68 0.06 1.70 -2.45 0.03 -4.74 119.30 115.76 12ca s MET 241 Ca 0.52 -1.64 -0.00 0.00 -1.25 0.00 0.00 55.69 53.32 12ca s MET 241 Cb -0.44 -5.13 -0.04 0.00 1.25 0.00 0.00 34.83 30.47 12ca s MET 241 CO 0.58 -1.96 -0.04 0.14 1.05 0.00 0.00 175.02 174.79 12ca s VAL 242 N 3.49 0.31 -1.29 10.11 -7.23 -1.26 -4.40 120.40 120.13 12ca s VAL 242 Ca 0.40 -1.71 -0.02 0.00 -1.81 0.00 0.00 61.98 58.84 12ca s VAL 242 Cb -0.02 -1.39 -0.00 0.00 0.56 0.00 0.00 36.38 35.53 12ca s VAL 242 CO -0.07 -0.90 0.69 0.47 -0.31 0.00 0.00 175.10 174.98 12ca n ASP 243 N 0.28 -1.55 -2.38 4.85 8.00 -0.58 -4.86 116.55 120.31 12ca n ASP 243 Ca -0.15 -0.84 -0.29 0.00 0.71 0.00 0.00 54.79 54.22 12ca n ASP 243 Cb 0.60 -3.99 0.02 0.00 -0.02 0.00 0.00 41.12 37.73 12ca n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 12ca n ASN 244 N -3.03 6.96 -4.39 -2.24 6.94 -1.02 -4.89 115.26 113.59 12ca n ASN 244 Ca -0.28 -3.42 -0.26 0.00 -0.02 0.00 0.00 54.58 50.59 12ca n ASN 244 Cb 0.67 -1.10 -0.12 0.00 -2.36 0.00 0.00 39.78 36.87 12ca n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 12ca s TRP 245 N -2.68 2.19 -0.14 -2.53 1.48 -1.26 -4.72 118.94 111.29 12ca s TRP 245 Ca 0.51 -0.38 -0.05 0.00 -1.06 0.00 0.00 56.10 55.12 12ca s TRP 245 Cb 0.39 -1.12 -0.04 0.00 -1.16 0.00 0.00 33.47 31.54 12ca s TRP 245 CO -0.16 0.41 0.06 0.50 -4.06 0.00 0.00 176.95 173.70 12ca s ARG 246 N -2.46 3.52 0.61 3.25 3.52 -1.26 -4.98 118.95 121.14 12ca s ARG 246 Ca 0.17 -0.32 -0.19 0.00 -0.13 0.00 0.00 55.73 55.26 12ca s ARG 246 Cb -0.08 -3.06 -0.03 0.00 -1.56 0.00 0.00 34.95 30.22 12ca s ARG 246 CO 0.08 0.53 1.22 -2.14 -0.81 0.00 0.00 175.30 174.18 12ca s PRO 247 N -0.37 2.88 0.41 5.12 0.02 -1.26 -4.71 135.00 137.09 12ca s PRO 247 Ca 0.09 1.86 -0.27 0.00 0.02 0.00 0.00 61.00 62.71 12ca s PRO 247 Cb -0.12 -1.91 -0.10 0.00 0.02 0.00 0.00 34.50 32.39 12ca s PRO 247 CO 0.02 -1.29 1.43 0.00 -0.33 0.00 0.00 177.00 176.83 12ca s ALA 248 N -1.57 3.40 0.28 -1.55 0.00 -1.26 -4.48 121.76 116.57 12ca s ALA 248 Ca 0.78 1.48 0.07 0.00 0.00 0.00 0.00 51.96 54.29 12ca s ALA 248 Cb -0.32 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.19 12ca s ALA 248 CO 0.35 -1.07 0.24 -0.65 0.00 0.00 0.00 175.76 174.63 12ca s GLN 249 N -2.24 2.92 0.27 0.00 -1.52 0.66 -4.95 119.66 114.81 12ca s GLN 249 Ca 0.56 -1.09 -0.30 0.00 -1.95 0.00 0.00 55.36 52.58 12ca s GLN 249 Cb -0.44 -2.57 -0.10 0.00 -0.22 0.00 0.00 33.01 29.67 12ca s GLN 249 CO 0.58 0.31 1.38 -2.14 -0.25 0.00 0.00 175.29 175.17 12ca s PRO 250 N -3.90 4.31 0.20 2.91 0.02 -1.26 -4.48 135.00 132.79 12ca s PRO 250 Ca 0.35 2.24 0.02 0.00 0.02 0.00 0.00 61.00 63.63 12ca s PRO 250 Cb -0.07 -3.10 0.12 0.00 0.02 0.00 0.00 34.50 31.46 12ca s PRO 250 CO 0.26 -0.32 1.47 1.25 -0.33 0.00 0.00 177.00 179.33 12ca h LEU 251 N 4.46 0.35 -3.53 -5.54 5.85 -1.94 -3.43 115.31 111.54 12ca h LEU 251 Ca -0.47 -0.23 -0.45 0.00 0.84 0.00 0.00 57.88 57.58 12ca h LEU 251 Cb 1.22 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 42.16 12ca h LEU 251 CO 0.73 0.95 -0.91 0.29 -0.34 0.00 0.00 178.44 179.16 12ca n LYS 252 N -3.82 -1.14 0.00 1.25 5.02 -1.26 -2.88 118.16 115.33 12ca n LYS 252 Ca -0.03 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 12ca n LYS 252 Cb 0.69 -3.12 0.00 0.00 -0.02 0.00 0.00 35.03 32.58 12ca n LYS 252 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 12ca n ASN 253 N -2.42 0.00 -4.44 4.39 2.04 -1.26 -5.01 115.26 108.56 12ca n ASN 253 Ca -0.19 0.00 -0.39 0.00 -0.44 0.00 0.00 54.58 53.56 12ca n ASN 253 Cb 0.62 0.00 0.03 0.00 -2.53 0.00 0.00 39.78 37.90 12ca n ASN 253 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 12ca n ARG 254 N 0.00 0.50 -5.26 -3.83 1.74 -1.14 -4.99 116.66 103.68 12ca n ARG 254 Ca 0.00 0.19 -0.32 0.00 -0.77 0.00 0.00 57.85 56.95 12ca n ARG 254 Cb 0.00 -1.58 -0.16 0.00 -1.02 0.00 0.00 32.46 29.69 12ca n ARG 254 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 12ca s GLN 255 N -1.83 2.58 -0.28 5.56 0.74 -1.26 -4.99 119.66 120.19 12ca s GLN 255 Ca 0.66 -0.90 -0.14 0.00 0.05 0.00 0.00 55.36 55.03 12ca s GLN 255 Cb -0.49 -2.18 -0.04 0.00 1.10 0.00 0.00 33.01 31.40 12ca s GLN 255 CO 0.57 0.37 0.32 0.42 -0.55 0.00 0.00 175.29 176.42 12ca s ILE 256 N -0.14 5.21 0.10 -2.34 1.01 -1.26 -4.71 121.20 119.07 12ca s ILE 256 Ca -0.04 0.42 -0.02 0.00 0.00 0.00 0.00 60.65 61.01 12ca s ILE 256 Cb -0.14 -3.65 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 12ca s ILE 256 CO 0.04 0.17 0.28 -0.54 0.00 0.00 0.00 174.94 174.89 12ca s LYS 257 N 1.97 3.52 0.03 2.79 1.02 -0.81 0.34 119.74 128.60 12ca s LYS 257 Ca 0.12 -0.28 0.09 0.00 0.02 0.00 0.00 55.97 55.92 12ca s LYS 257 Cb -0.16 -2.96 -0.03 0.00 -0.52 0.00 0.00 37.83 34.17 12ca s LYS 257 CO 0.10 0.55 -0.26 0.00 -0.92 0.00 0.00 175.35 174.82 12ca s ALA 258 N -1.57 2.24 -2.51 5.17 0.00 0.36 -0.90 121.76 124.55 12ca s ALA 258 Ca 0.38 -1.24 0.27 0.00 0.00 0.00 0.00 51.96 51.37 12ca s ALA 258 Cb -0.13 -0.50 0.81 0.00 0.00 0.00 0.00 23.12 23.31 12ca s ALA 258 CO 0.26 0.53 1.60 -1.13 0.00 0.00 0.00 175.76 177.03 12ca n SER 259 N 1.92 1.78 0.00 0.00 3.41 -0.61 -1.32 113.62 118.80 12ca n SER 259 Ca -0.17 -1.54 0.00 0.00 -0.26 0.00 0.00 58.87 56.90 12ca n SER 259 Cb 0.52 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 12ca n SER 259 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10