#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3duh s ILE 1 N 0.00 0.16 0.04 -3.67 1.01 -1.26 0.10 121.20 117.58 3duh s ILE 1 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.89 3duh s ILE 1 Cb 0.00 -0.38 -0.03 0.00 0.01 0.00 0.00 42.46 42.06 3duh s ILE 1 CO 0.00 0.21 -0.04 -1.66 0.00 0.00 0.00 174.94 173.44 3duh s TRP 2 N 2.06 0.47 -0.12 3.97 1.48 -0.70 -4.96 118.94 121.14 3duh s TRP 2 Ca 0.05 -0.68 -0.30 0.00 -1.06 0.00 0.00 56.10 54.11 3duh s TRP 2 Cb -0.12 -0.31 -0.02 0.00 -1.16 0.00 0.00 33.47 31.85 3duh s TRP 2 CO -0.04 -0.20 1.22 -2.00 -4.06 0.00 0.00 176.95 171.86 3duh s GLU 3 N -2.27 4.29 -0.15 3.25 2.12 -1.26 -0.53 118.70 124.15 3duh s GLU 3 Ca -0.07 1.65 -0.21 0.00 0.36 0.00 0.00 54.97 56.70 3duh s GLU 3 Cb -0.05 -3.67 -0.19 0.00 0.26 0.00 0.00 34.13 30.49 3duh s GLU 3 CO -0.03 -0.58 0.47 1.25 -0.54 0.00 0.00 175.26 175.83 3duh h LEU 4 N 9.02 0.00 0.00 2.70 5.85 -0.17 -3.48 115.31 129.23 3duh h LEU 4 Ca -0.29 -0.67 -0.18 0.00 0.84 0.00 0.00 57.88 57.57 3duh h LEU 4 Cb 1.13 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 3duh h LEU 4 CO 0.93 0.99 -0.10 2.29 -0.34 0.00 0.00 178.44 182.21 3duh n LYS 5 N -4.61 0.43 -1.59 1.25 2.85 -1.18 -5.02 118.16 110.30 3duh n LYS 5 Ca -0.12 -1.77 -0.57 0.00 -1.05 0.00 0.00 58.31 54.80 3duh n LYS 5 Cb 0.42 1.69 -0.08 0.00 -0.65 0.00 0.00 35.03 36.41 3duh n LYS 5 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3duh n LYS 6 N -0.36 0.91 -1.26 -1.58 4.81 -1.26 -0.69 118.16 118.72 3duh n LYS 6 Ca 0.01 0.31 -0.09 0.00 -0.87 0.00 0.00 58.31 57.66 3duh n LYS 6 Cb 0.37 -2.07 -0.04 0.00 0.02 0.00 0.00 35.03 33.31 3duh n LYS 6 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3duh n ASP 7 N 6.69 -4.67 -4.06 3.14 8.00 -1.26 -5.01 116.55 119.39 3duh n ASP 7 Ca 0.34 0.22 -0.30 0.00 0.71 0.00 0.00 54.79 55.76 3duh n ASP 7 Cb 0.12 -2.95 -0.16 0.00 -0.02 0.00 0.00 41.12 38.11 3duh n ASP 7 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3duh s VAL 8 N -2.13 1.66 -0.05 2.53 1.01 0.13 -0.94 120.40 122.61 3duh s VAL 8 Ca 0.00 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.32 3duh s VAL 8 Cb 0.00 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 3duh s VAL 8 CO 0.00 0.47 -0.20 -0.31 0.00 0.00 0.00 175.10 175.06 3duh s TYR 9 N 1.27 2.01 -0.21 5.22 2.02 0.30 0.62 117.35 128.58 3duh s TYR 9 Ca 0.01 -0.61 -0.11 0.00 -0.37 0.00 0.00 57.07 55.99 3duh s TYR 9 Cb -0.14 -1.34 -0.05 0.00 -0.40 0.00 0.00 41.96 40.04 3duh s TYR 9 CO -0.08 -0.20 0.17 0.08 -1.57 0.00 0.00 175.55 173.95 3duh s VAL 10 N 0.01 5.37 -0.28 0.71 1.01 0.31 -0.33 120.40 127.20 3duh s VAL 10 Ca -0.05 0.24 -0.09 0.00 0.00 0.00 0.00 61.98 62.08 3duh s VAL 10 Cb -0.13 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 3duh s VAL 10 CO 0.03 0.39 0.13 -0.69 0.00 0.00 0.00 175.10 174.95 3duh s VAL 11 N 0.70 4.63 -0.15 2.92 1.01 0.63 -1.72 120.40 128.42 3duh s VAL 11 Ca 0.09 -0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.59 3duh s VAL 11 Cb -0.12 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 3duh s VAL 11 CO 0.02 0.22 1.46 -1.61 0.00 0.00 0.00 175.10 175.19 3duh s GLU 12 N 1.65 4.10 -0.36 2.72 2.02 0.12 -1.68 118.70 127.26 3duh s GLU 12 Ca 0.06 1.79 -0.00 0.00 0.02 0.00 0.00 54.97 56.84 3duh s GLU 12 Cb -0.16 -3.90 0.09 0.00 0.10 0.00 0.00 34.13 30.27 3duh s GLU 12 CO 0.06 -0.90 0.11 -1.17 0.02 0.00 0.00 175.26 173.37 3duh s LEU 13 N 4.08 4.78 -0.30 1.80 2.96 -0.13 -4.93 118.68 126.93 3duh s LEU 13 Ca 0.64 -1.92 -0.29 0.00 -0.22 0.00 0.00 54.13 52.34 3duh s LEU 13 Cb -0.25 -1.73 0.01 0.00 0.50 0.00 0.00 46.19 44.72 3duh s LEU 13 CO 0.23 -0.43 1.11 -0.62 -1.32 0.00 0.00 176.35 175.32 3duh s ASP 14 N 1.40 6.91 -0.06 3.68 2.15 -1.26 -0.45 116.67 129.04 3duh s ASP 14 Ca 0.06 1.12 0.04 0.00 0.43 0.00 0.00 52.55 54.20 3duh s ASP 14 Cb -0.21 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 39.85 3duh s ASP 14 CO -0.05 -0.89 -0.17 0.86 -0.17 0.00 0.00 175.17 174.76 3duh s TRP 15 N 3.71 2.64 -0.08 -5.34 -0.00 -1.01 -4.97 118.94 113.89 3duh s TRP 15 Ca 0.47 -0.32 -0.12 0.00 -0.00 0.00 0.00 56.10 56.13 3duh s TRP 15 Cb -0.13 -1.64 0.03 0.00 -0.00 0.00 0.00 33.47 31.72 3duh s TRP 15 CO 0.16 0.06 0.30 1.52 -0.00 0.00 0.00 176.95 178.99 3duh s TYR 16 N -0.50 -0.27 0.41 5.86 1.13 -1.26 -4.66 117.35 118.06 3duh s TYR 16 Ca 0.06 0.61 0.30 0.00 -1.41 0.00 0.00 57.07 56.63 3duh s TYR 16 Cb -0.12 0.10 1.40 0.00 -1.10 0.00 0.00 41.96 42.25 3duh s TYR 16 CO 0.01 -0.24 1.48 -2.30 -2.51 0.00 0.00 175.55 171.99 3duh n PRO 17 N 2.31 -0.04 -2.16 -3.49 -0.02 -1.26 0.38 135.00 130.72 3duh n PRO 17 Ca -0.16 1.20 -0.39 0.00 -2.02 0.00 0.00 63.50 62.13 3duh n PRO 17 Cb 0.57 -2.34 0.01 0.00 -0.02 0.00 0.00 33.50 31.72 3duh n PRO 17 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3duh n ASP 18 N -4.67 7.42 -4.68 2.55 3.85 -1.26 -5.02 116.55 114.74 3duh n ASP 18 Ca 0.38 -3.57 -0.42 0.00 -0.71 0.00 0.00 54.79 50.47 3duh n ASP 18 Cb 1.46 -1.18 -0.03 0.00 -1.35 0.00 0.00 41.12 40.01 3duh n ASP 18 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3duh s ALA 19 N -3.33 3.67 0.36 2.12 0.00 0.16 -4.89 121.76 119.86 3duh s ALA 19 Ca 0.48 1.20 0.22 0.00 0.00 0.00 0.00 51.96 53.86 3duh s ALA 19 Cb 0.29 -3.72 1.15 0.00 0.00 0.00 0.00 23.12 20.84 3duh s ALA 19 CO -0.22 -1.19 1.97 -1.00 0.00 0.00 0.00 175.76 175.32 3duh h PRO 20 N 8.67 0.00 0.00 0.00 0.13 -1.94 -3.49 132.00 135.37 3duh h PRO 20 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3duh h PRO 20 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3duh h PRO 20 CO 0.93 0.20 0.00 0.41 -0.23 0.00 0.00 178.00 179.32 3duh n GLY 21 N -0.52 -1.60 3.78 1.56 0.00 -1.26 -5.02 105.19 102.14 3duh n GLY 21 Ca -0.02 -1.13 -0.39 0.00 0.00 0.00 0.00 46.02 44.49 3duh n GLY 21 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3duh s GLU 22 N -4.45 4.29 -0.11 1.61 2.56 -0.86 -4.86 118.70 116.89 3duh s GLU 22 Ca 0.00 0.78 -0.21 0.00 0.00 0.00 0.00 54.97 55.54 3duh s GLU 22 Cb 0.00 -3.29 -0.04 0.00 2.00 0.00 0.00 34.13 32.80 3duh s GLU 22 CO 0.00 0.50 0.62 -1.64 -0.56 0.00 0.00 175.26 174.18 3duh s MET 23 N -0.65 4.37 -0.10 4.30 -1.94 -1.26 -1.55 119.30 122.47 3duh s MET 23 Ca 0.31 0.70 0.03 0.00 -1.71 0.00 0.00 55.69 55.01 3duh s MET 23 Cb -0.19 -3.47 -0.01 0.00 2.01 0.00 0.00 34.83 33.17 3duh s MET 23 CO 0.19 0.04 -0.18 0.08 -0.01 0.00 0.00 175.02 175.14 3duh s VAL 24 N 0.95 2.64 -0.25 -6.03 1.01 -0.60 -5.00 120.40 113.11 3duh s VAL 24 Ca 0.32 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.38 3duh s VAL 24 Cb -0.17 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 3duh s VAL 24 CO 0.14 0.55 0.12 -0.69 0.00 0.00 0.00 175.10 175.23 3duh s VAL 25 N 0.07 4.86 -0.19 2.92 1.01 -1.26 -1.63 120.40 126.18 3duh s VAL 25 Ca -0.08 0.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.84 3duh s VAL 25 Cb -0.15 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 3duh s VAL 25 CO 0.05 0.33 0.06 -0.76 0.00 0.00 0.00 175.10 174.78 3duh s LEU 26 N 1.42 3.72 -0.12 3.92 1.43 0.48 -4.94 118.68 124.60 3duh s LEU 26 Ca 0.06 0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 53.14 3duh s LEU 26 Cb -0.15 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 3duh s LEU 26 CO 0.06 0.13 0.01 -0.89 0.23 0.00 0.00 176.35 175.89 3duh s THR 27 N 0.62 4.34 0.28 5.49 2.01 -1.26 0.25 115.64 127.37 3duh s THR 27 Ca 0.03 -0.22 -0.29 0.00 0.31 0.00 0.00 61.69 61.52 3duh s THR 27 Cb -0.13 -2.87 -0.10 0.00 0.01 0.00 0.00 72.50 69.41 3duh s THR 27 CO 0.01 0.55 1.16 0.00 -0.69 0.00 0.00 174.62 175.66 3duh s ASP 29 N -0.69 7.05 -0.08 0.00 -1.08 -1.26 -4.93 116.67 115.68 3duh s ASP 29 Ca 0.46 -2.95 -0.21 0.00 -0.52 0.00 0.00 52.55 49.33 3duh s ASP 29 Cb -0.34 -2.38 0.05 0.00 -1.46 0.00 0.00 42.92 38.79 3duh s ASP 29 CO 0.43 -0.74 0.50 0.28 0.52 0.00 0.00 175.17 176.17 3duh s THR 30 N 1.42 0.02 -1.90 1.71 -1.32 -1.26 -4.68 115.64 109.64 3duh s THR 30 Ca 0.40 -0.17 0.22 0.00 -1.21 0.00 0.00 61.69 60.93 3duh s THR 30 Cb -0.04 -0.78 0.57 0.00 -1.51 0.00 0.00 72.50 70.75 3duh s THR 30 CO -0.02 -0.09 1.67 -0.81 -2.21 0.00 0.00 174.62 173.16 3duh n PRO 31 N 1.65 0.61 -4.53 7.08 -0.04 -1.26 -4.88 135.00 133.63 3duh n PRO 31 Ca -0.18 0.02 -0.26 0.00 -0.04 0.00 0.00 63.50 63.04 3duh n PRO 31 Cb 0.56 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.42 3duh n PRO 31 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3duh s GLU 32 N -2.10 1.82 0.00 0.54 -1.05 -1.26 -5.05 118.70 111.60 3duh s GLU 32 Ca 0.30 -1.92 0.00 0.00 -0.15 0.00 0.00 54.97 53.20 3duh s GLU 32 Cb 0.15 -1.72 0.00 0.00 -0.44 0.00 0.00 34.13 32.12 3duh s GLU 32 CO 0.26 0.15 0.46 -0.85 0.95 0.00 0.00 175.26 176.23 3duh n GLU 33 N -0.79 0.32 -4.10 -4.83 0.00 -1.26 -4.83 120.64 105.15 3duh n GLU 33 Ca -0.05 -0.56 -0.33 0.00 0.00 0.00 0.00 57.16 56.22 3duh n GLU 33 Cb 0.63 -0.75 -0.07 0.00 0.00 0.00 0.00 31.44 31.25 3duh n GLU 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3duh s ASP 34 N -0.21 5.71 -0.16 -1.84 1.01 -1.26 -4.32 116.67 115.60 3duh s ASP 34 Ca 0.00 0.16 0.00 0.00 0.71 0.00 0.00 52.55 53.42 3duh s ASP 34 Cb 0.00 -1.65 0.00 0.00 1.01 0.00 0.00 42.92 42.28 3duh s ASP 34 CO 0.00 0.28 0.00 0.61 0.21 0.00 0.00 175.17 176.27 3duh n GLY 35 N 1.25 0.49 3.69 0.21 0.00 -1.26 -4.98 105.19 104.59 3duh n GLY 35 Ca -0.13 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 3duh n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3duh s ILE 36 N -1.87 5.17 0.22 -0.61 1.01 -1.26 -4.33 121.20 119.53 3duh s ILE 36 Ca 0.00 0.87 0.08 0.00 0.00 0.00 0.00 60.65 61.60 3duh s ILE 36 Cb 0.00 -3.79 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 3duh s ILE 36 CO 0.00 0.26 -0.15 0.42 0.00 0.00 0.00 174.94 175.47 3duh s THR 37 N 1.11 1.85 0.01 2.92 -4.23 -0.76 0.56 115.64 117.10 3duh s THR 37 Ca 0.23 -2.24 0.08 0.00 -1.18 0.00 0.00 61.69 58.58 3duh s THR 37 Cb -0.15 -2.09 -0.02 0.00 1.34 0.00 0.00 72.50 71.58 3duh s THR 37 CO 0.09 -0.56 -0.26 0.26 -0.54 0.00 0.00 174.62 173.61 3duh s TRP 38 N -2.90 2.28 0.07 3.99 0.52 -0.02 -1.24 118.94 121.64 3duh s TRP 38 Ca 0.24 -0.42 0.02 0.00 0.02 0.00 0.00 56.10 55.96 3duh s TRP 38 Cb -0.01 -1.42 -0.03 0.00 -1.15 0.00 0.00 33.47 30.86 3duh s TRP 38 CO 0.08 0.04 -0.08 0.95 0.02 0.00 0.00 176.95 177.97 3duh s THR 39 N -0.70 0.63 -0.25 2.01 -4.23 -0.55 0.03 115.64 112.58 3duh s THR 39 Ca 0.11 -1.44 -0.09 0.00 -1.18 0.00 0.00 61.69 59.08 3duh s THR 39 Cb -0.10 -1.07 -0.04 0.00 1.34 0.00 0.00 72.50 72.63 3duh s THR 39 CO 0.00 -0.57 0.13 -0.22 -0.54 0.00 0.00 174.62 173.42 3duh s LEU 40 N -2.18 3.87 0.00 4.79 2.96 -1.26 -0.17 118.68 126.69 3duh s LEU 40 Ca -0.01 -0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.89 3duh s LEU 40 Cb -0.04 -2.04 0.00 0.00 0.50 0.00 0.00 46.19 44.61 3duh s LEU 40 CO -0.02 0.02 0.00 0.47 -1.32 0.00 0.00 176.35 175.51 3duh n ASP 41 N 4.56 0.00 -1.10 3.68 10.43 0.15 -2.57 116.55 131.70 3duh n ASP 41 Ca -0.15 0.00 0.02 0.00 2.57 0.00 0.00 54.79 57.23 3duh n ASP 41 Cb 0.52 0.00 0.16 0.00 1.84 0.00 0.00 41.12 43.64 3duh n ASP 41 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3duh n GLN 42 N 13.18 2.50 -4.12 -1.24 1.13 -1.26 -4.89 117.38 122.68 3duh n GLN 42 Ca 0.00 -1.27 -0.33 0.00 -1.94 0.00 0.00 57.00 53.46 3duh n GLN 42 Cb 0.00 -1.79 -0.07 0.00 0.11 0.00 0.00 30.24 28.49 3duh n GLN 42 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3duh s SER 43 N -0.28 5.63 0.00 1.08 0.15 -1.06 -5.00 113.70 114.21 3duh s SER 43 Ca 0.22 0.13 0.28 0.00 0.70 0.00 0.00 55.95 57.28 3duh s SER 43 Cb 0.17 -1.60 1.08 0.00 -1.71 0.00 0.00 66.02 63.95 3duh s SER 43 CO 0.06 0.27 1.77 -1.54 1.20 0.00 0.00 173.24 175.00 3duh n SER 44 N 1.20 0.68 -4.66 5.45 3.41 -1.26 -4.48 113.62 113.96 3duh n SER 44 Ca -0.13 -0.72 -0.42 0.00 -0.26 0.00 0.00 58.87 57.34 3duh n SER 44 Cb 0.53 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 3duh n SER 44 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3duh s GLU 45 N -2.46 4.17 -0.14 4.33 2.12 -1.26 -4.96 118.70 120.50 3duh s GLU 45 Ca 0.28 2.32 -0.29 0.00 0.36 0.00 0.00 54.97 57.63 3duh s GLU 45 Cb 0.20 -4.04 -0.02 0.00 0.26 0.00 0.00 34.13 30.53 3duh s GLU 45 CO 0.48 -0.88 1.28 0.08 -0.54 0.00 0.00 175.26 175.67 3duh s VAL 46 N 4.18 4.23 -0.61 3.70 1.01 -1.26 -4.38 120.40 127.27 3duh s VAL 46 Ca 0.78 1.50 0.21 0.00 0.00 0.00 0.00 61.98 64.47 3duh s VAL 46 Cb -0.36 -3.97 -0.27 0.00 0.00 0.00 0.00 36.38 31.78 3duh s VAL 46 CO 0.33 -0.11 0.72 0.18 0.00 0.00 0.00 175.10 176.23 3duh n LEU 47 N 6.36 0.60 0.00 3.92 4.77 0.10 -4.99 117.00 127.76 3duh n LEU 47 Ca 0.14 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3duh n LEU 47 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3duh n LEU 47 CO 0.56 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 3duh n GLY 48 N 1.41 0.49 3.46 -0.72 0.00 -1.25 -4.97 105.19 103.61 3duh n GLY 48 Ca 0.01 -0.78 -0.23 0.00 0.00 0.00 0.00 46.02 45.01 3duh n GLY 48 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3duh s SER 49 N 0.00 3.47 0.00 1.61 0.15 -1.26 -0.84 113.70 116.82 3duh s SER 49 Ca 0.00 -1.05 0.00 0.00 0.70 0.00 0.00 55.95 55.60 3duh s SER 49 Cb 0.00 -0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.03 3duh s SER 49 CO 0.00 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.04 3duh n GLY 50 N -0.61 -0.92 0.22 9.45 0.00 0.19 -4.65 105.19 108.87 3duh n GLY 50 Ca -0.05 -1.66 0.15 0.00 0.00 0.00 0.00 46.02 44.46 3duh n GLY 50 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3duh h LYS 51 N 0.00 0.00 -6.39 1.61 3.64 -1.85 -3.42 116.57 110.16 3duh h LYS 51 Ca 0.00 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.76 3duh h LYS 51 Cb 0.00 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 31.58 3duh h LYS 51 CO 0.00 0.00 -0.85 0.95 -2.27 0.00 0.00 179.45 177.28 3duh s THR 52 N -3.60 1.88 -0.08 1.00 -4.23 -1.26 -0.11 115.64 109.23 3duh s THR 52 Ca 0.01 -1.41 0.03 0.00 -1.18 0.00 0.00 61.69 59.13 3duh s THR 52 Cb 0.09 -1.65 0.01 0.00 1.34 0.00 0.00 72.50 72.29 3duh s THR 52 CO 0.43 0.16 -0.17 -0.22 -0.54 0.00 0.00 174.62 174.28 3duh s LEU 53 N -1.50 1.81 -0.27 4.79 2.96 0.14 -4.80 118.68 121.80 3duh s LEU 53 Ca 0.09 -0.41 -0.09 0.00 -0.22 0.00 0.00 54.13 53.51 3duh s LEU 53 Cb -0.10 -1.07 -0.03 0.00 0.50 0.00 0.00 46.19 45.50 3duh s LEU 53 CO 0.03 0.07 0.12 -0.89 -1.32 0.00 0.00 176.35 174.36 3duh s THR 54 N 0.62 4.59 0.23 3.68 2.01 -1.26 -0.38 115.64 125.11 3duh s THR 54 Ca -0.15 -0.19 0.08 0.00 0.31 0.00 0.00 61.69 61.75 3duh s THR 54 Cb -0.16 -3.21 -0.05 0.00 0.01 0.00 0.00 72.50 69.08 3duh s THR 54 CO 0.04 0.24 -0.14 0.27 -0.69 0.00 0.00 174.62 174.35 3duh s ILE 55 N 1.64 1.81 -0.09 1.82 -4.36 -0.64 -5.00 121.20 116.38 3duh s ILE 55 Ca 0.06 -2.22 0.01 0.00 -0.26 0.00 0.00 60.65 58.24 3duh s ILE 55 Cb -0.16 -2.14 -0.02 0.00 1.25 0.00 0.00 42.46 41.39 3duh s ILE 55 CO 0.06 -0.52 -0.10 -1.58 0.24 0.00 0.00 174.94 173.03 3duh s GLN 56 N -3.64 2.97 -0.16 0.37 0.74 -1.26 -1.55 119.66 117.13 3duh s GLN 56 Ca 0.25 -0.63 0.01 0.00 0.05 0.00 0.00 55.36 55.03 3duh s GLN 56 Cb -0.01 -2.58 0.00 0.00 1.10 0.00 0.00 33.01 31.53 3duh s GLN 56 CO 0.09 0.47 -0.17 0.14 -0.55 0.00 0.00 175.29 175.27 3duh s VAL 57 N -0.31 2.49 0.00 1.34 -7.23 -0.59 -4.85 120.40 111.24 3duh s VAL 57 Ca 0.03 -0.83 0.00 0.00 -1.81 0.00 0.00 61.98 59.38 3duh s VAL 57 Cb -0.13 -2.04 0.00 0.00 0.56 0.00 0.00 36.38 34.77 3duh s VAL 57 CO 0.03 0.52 0.00 1.17 -0.31 0.00 0.00 175.10 176.51 3duh n LYS 58 N 4.16 0.86 -4.00 4.82 4.81 -1.26 -2.03 118.16 125.52 3duh n LYS 58 Ca -0.19 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.15 3duh n LYS 58 Cb 0.51 -0.61 -0.07 0.00 0.02 0.00 0.00 35.03 34.89 3duh n LYS 58 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 3duh s GLU 59 N -1.22 1.33 0.57 1.64 -1.05 -1.26 -5.02 118.70 113.69 3duh s GLU 59 Ca 0.00 -1.25 0.26 0.00 -0.15 0.00 0.00 54.97 53.83 3duh s GLU 59 Cb 0.00 0.41 1.59 0.00 -0.44 0.00 0.00 34.13 35.69 3duh s GLU 59 CO 0.00 -0.51 2.16 0.74 0.95 0.00 0.00 175.26 178.59 3duh h PHE 60 N 2.42 0.00 0.00 4.83 0.04 -1.98 0.20 116.94 122.44 3duh h PHE 60 Ca -0.30 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.47 3duh h PHE 60 Cb 1.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.39 3duh h PHE 60 CO 0.39 0.00 0.00 0.78 -0.60 0.00 0.00 178.31 178.88 3duh h GLY 61 N 0.00 0.00 1.59 -1.45 0.00 -1.97 -2.98 103.07 98.26 3duh h GLY 61 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3duh h GLY 61 CO -0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 3duh n ASP 62 N -3.07 0.00 -2.52 0.19 8.00 0.69 -4.80 116.55 115.04 3duh n ASP 62 Ca 0.03 0.08 -0.05 0.00 0.71 0.00 0.00 54.79 55.56 3duh n ASP 62 Cb 0.43 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 3duh n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3duh n ALA 63 N -1.29 0.15 0.00 2.24 0.00 -1.13 -4.78 120.51 115.71 3duh n ALA 63 Ca 0.07 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.11 3duh n ALA 63 Cb 0.12 0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.74 3duh n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3duh n GLY 64 N 3.79 0.70 3.41 0.00 0.00 -1.11 -4.97 105.19 107.02 3duh n GLY 64 Ca -0.00 -2.06 -0.44 0.00 0.00 0.00 0.00 46.02 43.52 3duh n GLY 64 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3duh s GLN 65 N -1.25 3.23 0.19 1.61 0.74 -1.26 -1.45 119.66 121.48 3duh s GLN 65 Ca 0.00 -1.35 -0.30 0.00 0.05 0.00 0.00 55.36 53.76 3duh s GLN 65 Cb 0.00 -4.42 -0.08 0.00 1.10 0.00 0.00 33.01 29.62 3duh s GLN 65 CO 0.00 -1.66 1.04 0.71 -0.55 0.00 0.00 175.29 174.83 3duh s TYR 66 N 2.94 3.72 0.00 1.67 1.51 -0.58 0.33 117.35 126.94 3duh s TYR 66 Ca 0.20 1.72 0.03 0.00 -1.01 0.00 0.00 57.07 58.01 3duh s TYR 66 Cb -0.17 -3.17 -0.01 0.00 -0.11 0.00 0.00 41.96 38.50 3duh s TYR 66 CO 0.03 -0.21 -0.08 0.99 -1.11 0.00 0.00 175.55 175.17 3duh s THR 67 N -0.54 0.63 0.04 -0.71 2.01 0.76 -0.61 115.64 117.23 3duh s THR 67 Ca 0.46 -0.45 0.05 0.00 0.31 0.00 0.00 61.69 62.06 3duh s THR 67 Cb -0.28 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.64 3duh s THR 67 CO 0.34 0.10 -0.10 0.00 -0.69 0.00 0.00 174.62 174.28 3duh s HIS 69 N -1.05 0.71 -0.09 0.00 3.76 -0.37 -0.74 115.29 117.51 3duh s HIS 69 Ca 0.18 -0.25 -0.04 0.00 -0.15 0.00 0.00 55.06 54.80 3duh s HIS 69 Cb -0.11 -0.44 0.05 0.00 1.11 0.00 0.00 32.58 33.18 3duh s HIS 69 CO 0.09 -0.02 0.20 0.21 -0.85 0.00 0.00 174.74 174.37 3duh s LYS 70 N -0.69 0.13 -1.42 1.40 2.20 -0.32 -1.83 119.74 119.20 3duh s LYS 70 Ca -0.01 0.50 -0.09 0.00 -0.36 0.00 0.00 55.97 56.02 3duh s LYS 70 Cb -0.05 -0.16 0.04 0.00 -1.51 0.00 0.00 37.83 36.16 3duh s LYS 70 CO 0.00 -0.20 0.97 0.41 -0.36 0.00 0.00 175.35 176.17 3duh n GLY 71 N 4.53 -0.45 2.71 5.54 0.00 -1.26 -1.72 105.19 114.53 3duh n GLY 71 Ca -0.20 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3duh n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3duh n GLY 72 N -1.70 2.51 3.73 -0.02 0.00 -1.26 -5.00 105.19 103.45 3duh n GLY 72 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 3duh n GLY 72 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3duh s GLU 73 N -0.10 3.34 0.03 1.61 2.12 -0.70 -5.07 118.70 119.94 3duh s GLU 73 Ca 0.00 -0.31 -0.30 0.00 0.36 0.00 0.00 54.97 54.71 3duh s GLU 73 Cb 0.00 -3.00 -0.06 0.00 0.26 0.00 0.00 34.13 31.33 3duh s GLU 73 CO 0.00 0.62 1.38 0.08 -0.54 0.00 0.00 175.26 176.81 3duh s VAL 74 N -0.63 3.65 -0.21 3.70 1.01 -1.26 -1.18 120.40 125.48 3duh s VAL 74 Ca 0.11 1.09 -0.13 0.00 0.00 0.00 0.00 61.98 63.05 3duh s VAL 74 Cb -0.12 -3.70 -0.19 0.00 0.00 0.00 0.00 36.38 32.37 3duh s VAL 74 CO 0.02 0.02 0.08 0.18 0.00 0.00 0.00 175.10 175.41 3duh n LEU 75 N 4.94 2.24 -3.52 3.92 4.77 0.08 -4.94 117.00 124.48 3duh n LEU 75 Ca 0.12 0.27 -0.16 0.00 -0.03 0.00 0.00 56.01 56.22 3duh n LEU 75 Cb 0.44 -0.97 -0.05 0.00 -2.33 0.00 0.00 43.42 40.50 3duh n LEU 75 CO 0.58 0.58 0.37 -0.94 -1.33 0.00 0.00 177.39 176.66 3duh s SER 76 N -7.00 -0.57 -0.09 -1.43 1.04 -1.23 -4.82 113.70 99.61 3duh s SER 76 Ca -0.30 0.42 0.01 0.00 0.48 0.00 0.00 55.95 56.56 3duh s SER 76 Cb 0.08 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.71 3duh s SER 76 CO 0.62 -0.70 -0.11 -1.00 0.98 0.00 0.00 173.24 173.03 3duh s HIS 77 N -2.01 2.83 -0.27 5.02 3.76 -1.26 -2.24 115.29 121.13 3duh s HIS 77 Ca -0.07 -0.24 0.01 0.00 -0.15 0.00 0.00 55.06 54.60 3duh s HIS 77 Cb -0.01 -1.74 0.08 0.00 1.11 0.00 0.00 32.58 32.02 3duh s HIS 77 CO 0.02 0.11 0.01 -1.12 -0.85 0.00 0.00 174.74 172.90 3duh s SER 78 N -0.36 3.99 -0.16 1.40 0.01 0.22 -4.73 113.70 114.06 3duh s SER 78 Ca 0.04 -1.43 -0.22 0.00 1.31 0.00 0.00 55.95 55.66 3duh s SER 78 Cb -0.12 -1.15 -0.03 0.00 0.21 0.00 0.00 66.02 64.93 3duh s SER 78 CO 0.02 -0.31 0.66 -0.22 0.41 0.00 0.00 173.24 173.80 3duh s LEU 79 N 1.39 4.19 -0.21 2.44 2.96 -0.11 -1.53 118.68 127.80 3duh s LEU 79 Ca 0.01 0.94 -0.06 0.00 -0.22 0.00 0.00 54.13 54.80 3duh s LEU 79 Cb -0.18 -2.95 -0.03 0.00 0.50 0.00 0.00 46.19 43.53 3duh s LEU 79 CO -0.11 -0.24 0.02 -0.76 -1.32 0.00 0.00 176.35 173.94 3duh s LEU 80 N 1.64 3.31 0.16 -0.68 1.43 -0.53 -0.53 118.68 123.48 3duh s LEU 80 Ca 0.31 -0.20 0.08 0.00 -1.03 0.00 0.00 54.13 53.29 3duh s LEU 80 Cb -0.16 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 3duh s LEU 80 CO 0.12 0.04 -0.05 -0.76 0.23 0.00 0.00 176.35 175.93 3duh s LEU 81 N 1.14 3.17 -0.13 1.79 1.43 0.55 -2.74 118.68 123.89 3duh s LEU 81 Ca 0.03 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 3duh s LEU 81 Cb -0.14 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 3duh s LEU 81 CO 0.02 0.11 -0.14 -0.76 0.23 0.00 0.00 176.35 175.81 3duh s LEU 82 N -2.77 2.66 -0.42 1.79 1.43 -0.47 -0.27 118.68 120.63 3duh s LEU 82 Ca 0.26 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 52.89 3duh s LEU 82 Cb -0.09 -1.59 0.06 0.00 0.03 0.00 0.00 46.19 44.59 3duh s LEU 82 CO 0.17 0.17 0.29 -2.28 0.23 0.00 0.00 176.35 174.92 3duh s HIS 83 N 0.34 3.28 -0.30 0.29 2.46 -0.68 -1.19 115.29 119.50 3duh s HIS 83 Ca -0.11 -1.15 -0.24 0.00 0.47 0.00 0.00 55.06 54.02 3duh s HIS 83 Cb -0.16 -2.87 0.00 0.00 -0.13 0.00 0.00 32.58 29.42 3duh s HIS 83 CO 0.06 -0.77 0.82 0.21 -2.47 0.00 0.00 174.74 172.59 3duh s LYS 84 N 1.54 4.01 -0.54 2.88 2.20 -1.26 -0.96 119.74 127.61 3duh s LYS 84 Ca 0.03 0.68 -0.17 0.00 -0.36 0.00 0.00 55.97 56.15 3duh s LYS 84 Cb -0.22 -3.71 0.10 0.00 -1.51 0.00 0.00 37.83 32.49 3duh s LYS 84 CO 0.05 -0.67 0.55 0.21 -0.36 0.00 0.00 175.35 175.13 3duh s LYS 85 N 2.99 3.02 0.07 4.03 2.20 0.41 -1.98 119.74 130.47 3duh s LYS 85 Ca 0.34 -1.43 -0.27 0.00 -0.36 0.00 0.00 55.97 54.25 3duh s LYS 85 Cb -0.14 -4.23 -0.12 0.00 -1.51 0.00 0.00 37.83 31.83 3duh s LYS 85 CO 0.12 -1.31 1.42 1.49 -0.36 0.00 0.00 175.35 176.71 3duh h GLU 86 N 8.95 -0.64 0.00 4.03 4.22 -0.74 -2.69 114.58 127.72 3duh h GLU 86 Ca -0.29 0.04 -0.21 0.00 0.08 0.00 0.00 59.36 58.98 3duh h GLU 86 Cb 1.10 0.14 -0.14 0.00 0.50 0.00 0.00 28.75 30.35 3duh h GLU 86 CO 1.01 -0.42 -0.45 -0.40 -2.18 0.00 0.00 179.01 176.57 3duh n ASP 87 N -4.76 -2.74 0.00 1.04 3.85 -1.26 -4.25 116.55 108.43 3duh n ASP 87 Ca -0.08 -3.25 0.00 0.00 -0.71 0.00 0.00 54.79 50.75 3duh n ASP 87 Cb 0.33 1.78 0.00 0.00 -1.35 0.00 0.00 41.12 41.88 3duh n ASP 87 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3duh n GLY 88 N 1.50 2.95 3.60 6.12 0.00 -1.26 -5.02 105.19 113.08 3duh n GLY 88 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 3duh n GLY 88 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3duh s ILE 89 N -1.94 4.16 0.48 -0.61 2.07 -1.26 -5.09 121.20 119.01 3duh s ILE 89 Ca 0.00 -0.29 -0.18 0.00 -1.41 0.00 0.00 60.65 58.77 3duh s ILE 89 Cb 0.00 -2.78 -0.09 0.00 0.13 0.00 0.00 42.46 39.72 3duh s ILE 89 CO 0.00 0.55 0.97 0.26 -1.91 0.00 0.00 174.94 174.81 3duh s TRP 90 N -0.30 3.40 0.49 3.50 0.52 -1.26 -0.04 118.94 125.24 3duh s TRP 90 Ca 0.06 1.51 -0.19 0.00 0.02 0.00 0.00 56.10 57.50 3duh s TRP 90 Cb -0.12 -2.80 -0.09 0.00 -1.15 0.00 0.00 33.47 29.31 3duh s TRP 90 CO 0.02 -0.27 0.99 -1.54 0.02 0.00 0.00 176.95 176.17 3duh s SER 91 N -2.75 6.62 -0.38 2.95 1.04 -0.84 -4.86 113.70 115.48 3duh s SER 91 Ca 0.60 1.69 0.11 0.00 0.48 0.00 0.00 55.95 58.83 3duh s SER 91 Cb -0.10 -2.53 0.33 0.00 0.10 0.00 0.00 66.02 63.83 3duh s SER 91 CO 0.25 -0.59 0.71 0.35 0.98 0.00 0.00 173.24 174.94 3duh n THR 92 N -1.19 -0.25 0.04 2.02 -2.24 -1.26 -4.70 114.28 106.69 3duh n THR 92 Ca 0.07 -4.39 -0.09 0.00 -2.27 0.00 0.00 64.05 57.37 3duh n THR 92 Cb 0.54 -0.48 -0.13 0.00 -2.10 0.00 0.00 70.33 68.16 3duh n THR 92 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3duh h ASP 93 N 3.17 0.06 -0.04 3.42 3.32 -2.00 -3.40 116.42 120.95 3duh h ASP 93 Ca 0.09 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 3duh h ASP 93 Cb 0.96 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.49 3duh h ASP 93 CO 0.48 1.06 -0.06 0.40 -1.72 0.00 0.00 179.24 179.41 3duh h ILE 94 N 0.01 1.41 -3.07 0.35 2.04 -1.96 -3.44 117.51 112.85 3duh h ILE 94 Ca -0.12 -1.31 -0.60 0.00 1.00 0.00 0.00 64.86 63.82 3duh h ILE 94 Cb 1.88 2.21 -0.06 0.00 -0.74 0.00 0.00 36.82 40.11 3duh h ILE 94 CO 0.12 0.35 -0.20 -0.76 0.00 0.00 0.00 178.15 177.66 3duh s LEU 95 N -9.09 4.43 -0.15 1.44 1.43 -1.26 -4.39 118.68 111.09 3duh s LEU 95 Ca -0.16 0.91 -0.23 0.00 -1.03 0.00 0.00 54.13 53.63 3duh s LEU 95 Cb 0.02 -2.58 -0.02 0.00 0.03 0.00 0.00 46.19 43.63 3duh s LEU 95 CO 0.70 0.27 0.71 -0.75 0.23 0.00 0.00 176.35 177.51 3duh s LYS 96 N -0.73 4.30 0.24 1.70 2.20 0.24 -4.98 119.74 122.71 3duh s LYS 96 Ca 0.23 0.82 -0.31 0.00 -0.36 0.00 0.00 55.97 56.35 3duh s LYS 96 Cb -0.16 -3.54 -0.13 0.00 -1.51 0.00 0.00 37.83 32.49 3duh s LYS 96 CO 0.12 -0.18 1.47 -3.47 -0.36 0.00 0.00 175.35 172.93 3duh n ASP 97 N 4.74 3.01 0.08 1.43 4.64 -1.26 -4.52 116.55 124.68 3duh n ASP 97 Ca 0.01 1.13 0.07 0.00 -1.38 0.00 0.00 54.79 54.62 3duh n ASP 97 Cb 0.50 -1.46 -0.03 0.00 -1.04 0.00 0.00 41.12 39.09 3duh n ASP 97 CO 0.00 0.00 0.00 1.56 -0.82 0.00 0.00 177.20 177.94 3duh h GLN 98 N 4.60 0.00 0.00 -0.67 4.20 -1.46 -3.48 115.11 118.30 3duh h GLN 98 Ca -0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.26 3duh h GLN 98 Cb 1.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.04 3duh h GLN 98 CO 0.79 0.11 0.00 0.36 -0.67 0.00 0.00 178.83 179.42 3duh n LYS 99 N -2.77 -0.10 -0.07 1.46 -0.00 -1.26 -4.87 118.16 110.56 3duh n LYS 99 Ca -0.03 0.03 -0.05 0.00 -0.00 0.00 0.00 58.31 58.25 3duh n LYS 99 Cb 0.66 -4.01 -0.03 0.00 -0.00 0.00 0.00 35.03 31.64 3duh n LYS 99 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 3duh h GLU 100 N 0.74 0.00 0.51 -1.58 4.11 -1.92 -3.41 114.58 113.03 3duh h GLU 100 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 3duh h GLU 100 Cb 0.05 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.31 3duh h GLU 100 CO 0.00 0.21 -0.25 -1.35 0.07 0.00 0.00 179.01 177.69 3duh h PRO 101 N -1.00 -0.67 0.00 1.06 0.11 -1.93 -3.46 132.00 126.12 3duh h PRO 101 Ca -0.04 0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.01 3duh h PRO 101 Cb 0.43 0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.67 3duh h PRO 101 CO -0.02 -0.44 -0.08 0.36 -0.21 0.00 0.00 178.00 177.60 3duh n LYS 102 N -4.46 1.28 -1.90 1.05 -0.00 -1.26 -5.13 118.16 107.73 3duh n LYS 102 Ca -0.09 -0.62 -0.29 0.00 -0.00 0.00 0.00 58.31 57.31 3duh n LYS 102 Cb 0.27 0.26 0.09 0.00 -0.00 0.00 0.00 35.03 35.65 3duh n LYS 102 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 3duh s ASN 103 N -1.46 4.54 -1.46 -5.58 -0.87 -1.26 -4.10 114.94 104.74 3duh s ASN 103 Ca 0.02 0.79 -0.11 0.00 -1.57 0.00 0.00 52.86 51.99 3duh s ASN 103 Cb 0.00 -1.29 0.05 0.00 -0.02 0.00 0.00 41.25 39.99 3duh s ASN 103 CO 0.01 -1.89 0.98 2.29 -2.57 0.00 0.00 177.10 175.93 3duh n LYS 104 N -3.30 -6.22 -3.75 -0.60 -0.00 -1.26 -4.96 118.16 98.07 3duh n LYS 104 Ca 0.08 0.71 -0.36 0.00 -0.00 0.00 0.00 58.31 58.74 3duh n LYS 104 Cb 0.61 -5.65 -0.11 0.00 -0.00 0.00 0.00 35.03 29.88 3duh n LYS 104 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 3duh s THR 105 N -3.27 3.44 -0.12 0.58 2.01 -1.26 -4.93 115.64 112.11 3duh s THR 105 Ca 0.58 -2.40 0.15 0.00 0.31 0.00 0.00 61.69 60.32 3duh s THR 105 Cb -0.27 -3.32 -0.24 0.00 0.01 0.00 0.00 72.50 68.68 3duh s THR 105 CO 0.71 -0.76 0.39 0.49 -0.69 0.00 0.00 174.62 174.76 3duh n PHE 106 N 4.17 0.55 -4.25 4.92 3.01 -1.26 -1.18 117.46 123.42 3duh n PHE 106 Ca 0.01 0.20 -0.34 0.00 1.01 0.00 0.00 57.45 58.33 3duh n PHE 106 Cb 0.40 -1.10 -0.13 0.00 -0.01 0.00 0.00 39.48 38.64 3duh n PHE 106 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3duh s LEU 107 N -5.83 3.04 -0.17 4.37 1.43 -1.26 -4.38 118.68 115.88 3duh s LEU 107 Ca -0.07 -0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 52.75 3duh s LEU 107 Cb 0.07 -1.75 -0.00 0.00 0.03 0.00 0.00 46.19 44.54 3duh s LEU 107 CO 0.83 0.09 -0.12 -0.13 0.23 0.00 0.00 176.35 177.24 3duh s ARG 108 N 0.85 3.28 0.00 1.70 0.52 -0.68 -4.96 118.95 119.67 3duh s ARG 108 Ca -0.01 -0.71 0.06 0.00 -0.52 0.00 0.00 55.73 54.55 3duh s ARG 108 Cb -0.15 -2.72 -0.03 0.00 0.52 0.00 0.00 34.95 32.58 3duh s ARG 108 CO 0.01 -0.01 -0.19 0.00 0.02 0.00 0.00 175.30 175.13 3duh s GLU 110 N -1.07 0.61 0.05 0.00 -1.05 -0.07 -4.81 118.70 112.36 3duh s GLU 110 Ca 0.13 -0.60 0.06 0.00 -0.15 0.00 0.00 54.97 54.41 3duh s GLU 110 Cb -0.10 0.25 -0.02 0.00 -0.44 0.00 0.00 34.13 33.81 3duh s GLU 110 CO 0.03 -0.16 -0.18 0.00 0.95 0.00 0.00 175.26 175.90 3duh s ALA 111 N -2.26 1.49 -0.81 -0.84 0.00 -0.07 -1.21 121.76 118.05 3duh s ALA 111 Ca -0.08 -0.97 0.24 0.00 0.00 0.00 0.00 51.96 51.15 3duh s ALA 111 Cb -0.03 -0.26 0.25 0.00 0.00 0.00 0.00 23.12 23.09 3duh s ALA 111 CO -0.03 0.31 1.22 1.63 0.00 0.00 0.00 175.76 178.89 3duh n LYS 112 N 1.78 0.14 -2.75 0.00 4.76 -1.26 -0.36 118.16 120.48 3duh n LYS 112 Ca -0.18 0.01 -0.03 0.00 -2.87 0.00 0.00 58.31 55.25 3duh n LYS 112 Cb 0.54 -1.56 0.01 0.00 -1.84 0.00 0.00 35.03 32.18 3duh n LYS 112 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 3duh n ASN 113 N -1.76 -1.08 -1.52 4.39 0.23 -1.26 -4.36 115.26 109.90 3duh n ASN 113 Ca 0.04 -1.63 0.10 0.00 -0.53 0.00 0.00 54.58 52.56 3duh n ASN 113 Cb 0.39 1.77 0.35 0.00 -2.08 0.00 0.00 39.78 40.20 3duh n ASN 113 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3duh n TYR 114 N -0.38 1.39 0.31 -2.53 4.01 -1.26 -4.62 117.16 114.08 3duh n TYR 114 Ca -0.02 -0.60 0.19 0.00 -0.16 0.00 0.00 57.90 57.30 3duh n TYR 114 Cb 0.33 -0.21 0.99 0.00 -0.31 0.00 0.00 39.34 40.15 3duh n TYR 114 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3duh h SER 115 N 4.03 0.00 0.00 7.72 4.64 -1.96 -3.34 113.55 124.63 3duh h SER 115 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3duh h SER 115 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 3duh h SER 115 CO 0.20 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.79 3duh n GLY 116 N -0.88 1.68 3.77 -0.77 0.00 -1.26 -4.72 105.19 103.01 3duh n GLY 116 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 3duh n GLY 116 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3duh s ARG 117 N -0.68 4.48 0.16 1.61 0.52 -1.26 -0.58 118.95 123.20 3duh s ARG 117 Ca 0.00 1.04 -0.08 0.00 -0.52 0.00 0.00 55.73 56.17 3duh s ARG 117 Cb 0.00 -3.29 -0.01 0.00 0.52 0.00 0.00 34.95 32.17 3duh s ARG 117 CO 0.00 0.49 0.26 -0.59 0.02 0.00 0.00 175.30 175.47 3duh s PHE 118 N -0.76 0.44 -0.06 -0.53 -0.12 -0.75 -4.55 117.98 111.66 3duh s PHE 118 Ca 0.35 -0.81 0.04 0.00 -0.05 0.00 0.00 56.93 56.46 3duh s PHE 118 Cb -0.22 -0.10 0.00 0.00 -0.63 0.00 0.00 43.02 42.07 3duh s PHE 118 CO 0.24 -0.69 -0.18 0.99 -0.05 0.00 0.00 175.22 175.52 3duh s THR 119 N -3.97 1.55 0.05 -4.49 2.01 -0.35 -1.27 115.64 109.17 3duh s THR 119 Ca 0.18 -0.76 0.05 0.00 0.31 0.00 0.00 61.69 61.47 3duh s THR 119 Cb 0.04 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.16 3duh s THR 119 CO -0.00 0.45 -0.09 0.00 -0.69 0.00 0.00 174.62 174.28 3duh s TRP 121 N -1.09 0.92 0.11 0.00 1.48 0.08 -0.44 118.94 120.00 3duh s TRP 121 Ca 0.19 -0.94 -0.14 0.00 -1.06 0.00 0.00 56.10 54.15 3duh s TRP 121 Cb -0.11 -0.53 0.02 0.00 -1.16 0.00 0.00 33.47 31.69 3duh s TRP 121 CO 0.10 -0.17 0.34 1.67 -4.06 0.00 0.00 176.95 174.82 3duh s TRP 122 N -3.65 -0.10 0.05 1.66 -2.14 0.41 -1.69 118.94 113.48 3duh s TRP 122 Ca 0.14 -0.24 0.09 0.00 2.66 0.00 0.00 56.10 58.74 3duh s TRP 122 Cb 0.06 0.16 -0.03 0.00 -3.10 0.00 0.00 33.47 30.56 3duh s TRP 122 CO -0.04 -0.65 -0.26 -0.51 -2.66 0.00 0.00 176.95 172.84 3duh s LEU 123 N -2.79 2.17 0.01 -4.66 1.43 -1.26 -1.42 118.68 112.16 3duh s LEU 123 Ca 0.03 -0.59 -0.07 0.00 -1.03 0.00 0.00 54.13 52.47 3duh s LEU 123 Cb 0.03 -1.26 -0.00 0.00 0.03 0.00 0.00 46.19 44.98 3duh s LEU 123 CO -0.11 0.25 0.14 0.28 0.23 0.00 0.00 176.35 177.14 3duh s THR 124 N -0.81 0.09 0.10 5.49 -1.32 0.87 0.82 115.64 120.88 3duh s THR 124 Ca 0.11 -0.78 0.03 0.00 -1.21 0.00 0.00 61.69 59.84 3duh s THR 124 Cb -0.10 -0.57 -0.24 0.00 -1.51 0.00 0.00 72.50 70.08 3duh s THR 124 CO 0.02 -0.43 1.21 0.71 -2.21 0.00 0.00 174.62 173.92 3duh h THR 125 N 4.06 1.61 -3.35 5.08 1.35 -1.87 0.43 112.91 120.22 3duh h THR 125 Ca -0.31 -3.27 -0.52 0.00 -0.55 0.00 0.00 66.41 61.75 3duh h THR 125 Cb 1.19 2.87 0.05 0.00 -1.73 0.00 0.00 68.15 70.53 3duh h THR 125 CO 0.43 0.94 0.72 -0.63 -0.25 0.00 0.00 175.52 176.73 3duh s ILE 126 N -2.69 2.90 -1.09 6.82 1.01 -1.26 -4.73 121.20 122.15 3duh s ILE 126 Ca -0.01 0.74 0.14 0.00 0.00 0.00 0.00 60.65 61.52 3duh s ILE 126 Cb 0.09 -3.47 -0.06 0.00 0.01 0.00 0.00 42.46 39.03 3duh s ILE 126 CO 0.84 0.11 0.72 -1.54 0.00 0.00 0.00 174.94 175.08 3duh n SER 127 N 2.56 1.21 -3.90 3.58 3.41 -1.26 -4.83 113.62 114.39 3duh n SER 127 Ca 0.07 -1.11 -0.09 0.00 -0.26 0.00 0.00 58.87 57.48 3duh n SER 127 Cb 0.41 0.66 -0.06 0.00 -0.26 0.00 0.00 64.21 64.96 3duh n SER 127 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3duh s THR 128 N -1.95 0.05 -1.33 6.66 -4.23 -1.26 -4.94 115.64 108.63 3duh s THR 128 Ca 0.10 -1.21 -0.01 0.00 -1.18 0.00 0.00 61.69 59.38 3duh s THR 128 Cb 0.11 -1.78 -0.00 0.00 1.34 0.00 0.00 72.50 72.17 3duh s THR 128 CO 0.44 -0.23 0.59 0.47 -0.54 0.00 0.00 174.62 175.34 3duh n ASP 129 N -0.26 -1.09 -3.89 3.99 9.92 -1.26 -4.85 116.55 119.11 3duh n ASP 129 Ca -0.08 -0.91 -0.25 0.00 -0.53 0.00 0.00 54.79 53.02 3duh n ASP 129 Cb 0.63 -3.61 -0.17 0.00 -0.64 0.00 0.00 41.12 37.33 3duh n ASP 129 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3duh s LEU 130 N -6.77 1.12 -0.04 0.64 2.96 -1.26 -2.01 118.68 113.32 3duh s LEU 130 Ca 0.03 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 3duh s LEU 130 Cb -0.01 -0.72 0.00 0.00 0.50 0.00 0.00 46.19 45.96 3duh s LEU 130 CO 0.85 -0.11 -0.13 0.42 -1.32 0.00 0.00 176.35 176.05 3duh s THR 131 N 1.58 1.16 -0.08 3.68 -4.23 -0.43 -5.02 115.64 112.29 3duh s THR 131 Ca 0.01 -0.55 0.05 0.00 -1.18 0.00 0.00 61.69 60.02 3duh s THR 131 Cb -0.13 -1.02 -0.00 0.00 1.34 0.00 0.00 72.50 72.69 3duh s THR 131 CO -0.06 0.35 -0.24 -0.36 -0.54 0.00 0.00 174.62 173.77 3duh s PHE 132 N 0.22 2.50 -0.11 3.99 0.08 -1.26 -1.24 117.98 122.15 3duh s PHE 132 Ca -0.06 -0.91 0.03 0.00 0.12 0.00 0.00 56.93 56.12 3duh s PHE 132 Cb -0.11 -1.66 0.00 0.00 -0.57 0.00 0.00 43.02 40.68 3duh s PHE 132 CO 0.02 -0.33 -0.22 0.45 -0.10 0.00 0.00 175.22 175.03 3duh s SER 133 N 0.13 3.20 -0.14 1.36 0.15 -0.22 -4.52 113.70 113.66 3duh s SER 133 Ca -0.12 -0.55 0.02 0.00 0.70 0.00 0.00 55.95 56.00 3duh s SER 133 Cb -0.16 -1.44 0.00 0.00 -1.71 0.00 0.00 66.02 62.71 3duh s SER 133 CO 0.07 0.14 -0.20 -0.69 1.20 0.00 0.00 173.24 173.76 3duh s VAL 134 N 0.47 2.28 0.09 4.45 1.01 -1.26 0.06 120.40 127.51 3duh s VAL 134 Ca -0.15 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.00 3duh s VAL 134 Cb -0.17 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 3duh s VAL 134 CO 0.06 0.54 -0.21 -0.54 0.00 0.00 0.00 175.10 174.94 3duh s LYS 135 N 0.75 1.20 0.04 2.72 1.02 0.43 -4.79 119.74 121.11 3duh s LYS 135 Ca -0.08 -1.13 -0.11 0.00 0.02 0.00 0.00 55.97 54.67 3duh s LYS 135 Cb -0.16 -1.45 0.01 0.00 -0.52 0.00 0.00 37.83 35.72 3duh s LYS 135 CO -0.00 0.34 0.24 0.45 -0.92 0.00 0.00 175.35 175.47 3duh s SER 136 N -1.76 -0.04 0.14 2.83 0.15 -1.26 -0.06 113.70 113.70 3duh s SER 136 Ca 0.07 -0.30 -0.21 0.00 0.70 0.00 0.00 55.95 56.22 3duh s SER 136 Cb -0.10 0.32 0.06 0.00 -1.71 0.00 0.00 66.02 64.59 3duh s SER 136 CO 0.04 -0.59 0.53 -0.94 1.20 0.00 0.00 173.24 173.47 3duh s SER 137 N -2.10 -0.44 -0.22 5.45 1.04 -0.60 -3.92 113.70 112.91 3duh s SER 137 Ca -0.05 -0.08 -0.20 0.00 0.48 0.00 0.00 55.95 56.10 3duh s SER 137 Cb -0.01 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.63 3duh s SER 137 CO -0.04 -0.90 0.59 -0.60 0.98 0.00 0.00 173.24 173.27 3duh s ARG 138 N -3.62 4.17 0.00 4.02 3.52 -0.35 0.28 118.95 126.97 3duh s ARG 138 Ca 0.01 0.51 0.00 0.00 -0.13 0.00 0.00 55.73 56.12 3duh s ARG 138 Cb 0.00 -3.60 0.00 0.00 -1.56 0.00 0.00 34.95 29.79 3duh s ARG 138 CO -0.11 -0.27 0.00 0.41 -0.81 0.00 0.00 175.30 174.52 3duh n GLY 139 N 3.97 -1.44 0.51 8.12 0.00 -0.27 -1.25 105.19 114.82 3duh n GLY 139 Ca -0.02 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.43 3duh n GLY 139 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3duh n SER 140 N -1.74 1.23 0.00 1.61 7.64 -1.26 -4.47 113.62 116.62 3duh n SER 140 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3duh n SER 140 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3duh n SER 140 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3duh n SER 141 N -2.22 0.00 -4.04 6.43 7.64 -1.26 -3.96 113.62 116.21 3duh n SER 141 Ca 0.00 0.87 -0.34 0.00 1.01 0.00 0.00 58.87 60.41 3duh n SER 141 Cb 0.23 -0.37 -0.12 0.00 -1.01 0.00 0.00 64.21 62.94 3duh n SER 141 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 3duh s ASP 142 N -2.41 4.89 0.33 6.43 3.84 -1.26 -5.10 116.67 123.39 3duh s ASP 142 Ca 0.00 -2.65 -0.28 0.00 -0.00 0.00 0.00 52.55 49.62 3duh s ASP 142 Cb 0.00 -1.75 -0.13 0.00 -1.38 0.00 0.00 42.92 39.66 3duh s ASP 142 CO 0.00 -0.36 1.15 -0.81 -0.00 0.00 0.00 175.17 175.16 3duh n PRO 143 N 3.68 1.75 -4.39 2.11 -0.04 -1.25 -4.86 135.00 132.00 3duh n PRO 143 Ca 0.05 0.62 -0.31 0.00 -0.04 0.00 0.00 63.50 63.81 3duh n PRO 143 Cb 0.37 -2.12 -0.10 0.00 -0.04 0.00 0.00 33.50 31.61 3duh n PRO 143 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3duh s GLN 144 N -1.78 2.36 0.33 0.54 -1.52 -0.38 -4.94 119.66 114.26 3duh s GLN 144 Ca 0.57 -0.86 -0.29 0.00 -1.95 0.00 0.00 55.36 52.84 3duh s GLN 144 Cb -0.62 -2.40 -0.10 0.00 -0.22 0.00 0.00 33.01 29.67 3duh s GLN 144 CO 0.61 0.56 1.32 0.20 -0.25 0.00 0.00 175.29 177.72 3duh s GLY 145 N -1.73 2.96 -0.02 3.09 0.00 -1.26 -1.21 107.32 109.15 3duh s GLY 145 Ca 0.19 1.27 0.00 0.00 0.00 0.00 0.00 44.72 46.18 3duh s GLY 145 CO 0.10 1.94 0.02 0.14 0.00 0.00 0.00 173.10 175.30 3duh s VAL 146 N -1.07 -0.01 -0.23 1.40 1.01 -1.25 -1.41 120.40 118.84 3duh s VAL 146 Ca 0.50 0.19 -0.07 0.00 0.00 0.00 0.00 61.98 62.60 3duh s VAL 146 Cb -0.40 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 3duh s VAL 146 CO 0.52 0.10 0.07 -0.89 0.00 0.00 0.00 175.10 174.90 3duh s THR 147 N 1.08 4.40 0.22 3.92 2.01 0.19 -4.50 115.64 122.95 3duh s THR 147 Ca -0.09 -0.15 0.08 0.00 0.31 0.00 0.00 61.69 61.84 3duh s THR 147 Cb -0.13 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 3duh s THR 147 CO -0.03 0.37 0.04 0.00 -0.69 0.00 0.00 174.62 174.31 3duh n GLY 149 N -0.55 1.13 3.80 0.00 0.00 -0.30 -4.98 105.19 104.29 3duh n GLY 149 Ca -0.08 -1.93 -0.36 0.00 0.00 0.00 0.00 46.02 43.64 3duh n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3duh s ALA 150 N -2.58 3.32 -0.17 4.61 0.00 -1.26 -4.79 121.76 120.90 3duh s ALA 150 Ca 0.00 0.31 -0.29 0.00 0.00 0.00 0.00 51.96 51.97 3duh s ALA 150 Cb 0.00 -2.97 -0.01 0.00 0.00 0.00 0.00 23.12 20.15 3duh s ALA 150 CO 0.00 0.26 1.15 0.00 0.00 0.00 0.00 175.76 177.17 3duh s ALA 151 N -1.59 3.63 0.07 0.00 0.00 -1.26 -4.64 121.76 117.97 3duh s ALA 151 Ca 0.47 0.37 0.06 0.00 0.00 0.00 0.00 51.96 52.85 3duh s ALA 151 Cb -0.17 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.36 3duh s ALA 151 CO 0.22 -1.03 -0.16 0.95 0.00 0.00 0.00 175.76 175.74 3duh s THR 152 N 3.10 1.31 0.16 0.00 -4.23 -0.90 -4.86 115.64 110.21 3duh s THR 152 Ca 0.50 -1.25 -0.33 0.00 -1.18 0.00 0.00 61.69 59.43 3duh s THR 152 Cb -0.19 -1.20 -0.12 0.00 1.34 0.00 0.00 72.50 72.32 3duh s THR 152 CO 0.13 -0.07 1.70 -0.11 -0.54 0.00 0.00 174.62 175.73 3duh n LEU 153 N 1.49 3.62 -0.01 4.79 0.00 -1.26 -2.26 117.00 123.37 3duh n LEU 153 Ca -0.19 1.05 -0.01 0.00 0.00 0.00 0.00 56.01 56.86 3duh n LEU 153 Cb 0.54 -1.50 -0.01 0.00 0.00 0.00 0.00 43.42 42.45 3duh n LEU 153 CO 0.22 -0.02 -0.54 -0.24 0.00 0.00 0.00 177.39 176.82 3duh n SER 154 N 4.23 4.31 -0.92 1.96 2.88 0.14 -4.93 113.62 121.30 3duh n SER 154 Ca 0.17 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 3duh n SER 154 Cb 0.33 0.25 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 3duh n SER 154 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3duh n ALA 155 N -2.29 0.00 -3.15 -1.46 0.00 -1.12 -5.04 120.51 107.44 3duh n ALA 155 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.30 3duh n ALA 155 Cb 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.88 3duh n ALA 155 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3duh s GLU 156 N -1.75 0.53 0.00 0.00 2.12 -1.26 -1.91 118.70 116.43 3duh s GLU 156 Ca 0.00 -0.26 0.00 0.00 0.36 0.00 0.00 54.97 55.07 3duh s GLU 156 Cb 0.00 0.23 0.00 0.00 0.26 0.00 0.00 34.13 34.62 3duh s GLU 156 CO 0.00 -0.13 0.00 0.39 -0.54 0.00 0.00 175.26 174.98 3duh n GLU 164 N 1.54 0.00 -3.76 4.30 1.02 -1.26 -5.01 120.64 117.46 3duh n GLU 164 Ca -0.21 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.57 3duh n GLU 164 Cb 0.56 -0.42 -0.10 0.00 -0.02 0.00 0.00 31.44 31.46 3duh n GLU 164 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3duh s TYR 165 N -2.79 3.26 -0.18 -0.32 1.51 0.15 -4.94 117.35 114.05 3duh s TYR 165 Ca 0.00 0.09 -0.01 0.00 -1.01 0.00 0.00 57.07 56.14 3duh s TYR 165 Cb 0.00 -2.22 -0.00 0.00 -0.11 0.00 0.00 41.96 39.63 3duh s TYR 165 CO 0.00 0.02 -0.12 -2.00 -1.11 0.00 0.00 175.55 172.34 3duh s GLU 166 N 0.97 3.25 -0.07 -0.62 2.12 -0.80 -0.09 118.70 123.46 3duh s GLU 166 Ca 0.06 -0.71 0.02 0.00 0.36 0.00 0.00 54.97 54.70 3duh s GLU 166 Cb -0.13 -2.75 -0.02 0.00 0.26 0.00 0.00 34.13 31.49 3duh s GLU 166 CO 0.03 -0.07 -0.13 0.71 -0.54 0.00 0.00 175.26 175.27 3duh s TYR 167 N 1.07 2.77 0.20 5.30 2.02 -0.51 0.23 117.35 128.43 3duh s TYR 167 Ca -0.00 -0.20 0.09 0.00 -0.37 0.00 0.00 57.07 56.59 3duh s TYR 167 Cb -0.15 -1.69 -0.05 0.00 -0.40 0.00 0.00 41.96 39.68 3duh s TYR 167 CO -0.03 0.15 -0.18 -1.54 -1.57 0.00 0.00 175.55 172.38 3duh s SER 168 N -0.55 2.89 -0.01 2.29 1.04 -0.96 -0.45 113.70 117.96 3duh s SER 168 Ca 0.08 -0.95 -0.01 0.00 0.48 0.00 0.00 55.95 55.55 3duh s SER 168 Cb -0.12 -0.19 0.01 0.00 0.10 0.00 0.00 66.02 65.82 3duh s SER 168 CO 0.02 -0.05 0.03 0.54 0.98 0.00 0.00 173.24 174.75 3duh s VAL 169 N -2.42 -0.01 -0.18 5.02 0.11 0.41 -2.12 120.40 121.21 3duh s VAL 169 Ca 0.21 0.04 -0.09 0.00 -2.93 0.00 0.00 61.98 59.21 3duh s VAL 169 Cb -0.04 -0.05 -0.05 0.00 -1.53 0.00 0.00 36.38 34.71 3duh s VAL 169 CO 0.09 0.02 0.11 -1.61 -3.33 0.00 0.00 175.10 170.37 3duh s GLU 170 N 0.20 4.02 0.13 1.54 2.02 -1.26 -1.36 118.70 123.99 3duh s GLU 170 Ca -0.02 -0.24 0.09 0.00 0.02 0.00 0.00 54.97 54.82 3duh s GLU 170 Cb -0.02 -3.33 -0.04 0.00 0.10 0.00 0.00 34.13 30.84 3duh s GLU 170 CO -0.01 0.36 -0.22 0.00 0.02 0.00 0.00 175.26 175.42 3duh s GLN 172 N -2.25 0.72 0.20 0.00 0.74 0.19 -1.80 119.66 117.46 3duh s GLN 172 Ca 0.12 0.02 -0.31 0.00 0.05 0.00 0.00 55.36 55.23 3duh s GLN 172 Cb -0.09 -0.94 -0.11 0.00 1.10 0.00 0.00 33.01 32.97 3duh s GLN 172 CO 0.06 -0.22 1.62 -2.00 -0.55 0.00 0.00 175.29 174.19 3duh s GLU 173 N 1.58 4.17 0.06 1.67 2.12 0.26 -0.64 118.70 127.92 3duh s GLU 173 Ca -0.01 2.48 -0.19 0.00 0.36 0.00 0.00 54.97 57.61 3duh s GLU 173 Cb -0.13 -3.10 -0.12 0.00 0.26 0.00 0.00 34.13 31.03 3duh s GLU 173 CO -0.04 -0.65 1.39 -0.44 -0.54 0.00 0.00 175.26 174.98 3duh h ASP 174 N 6.42 0.44 -2.41 -1.70 3.32 -1.59 -3.33 116.42 117.57 3duh h ASP 174 Ca -0.44 -0.45 -0.69 0.00 0.02 0.00 0.00 57.03 55.48 3duh h ASP 174 Cb 1.21 -0.12 -0.36 0.00 0.22 0.00 0.00 39.33 40.28 3duh h ASP 174 CO 0.90 0.80 0.04 -1.20 -1.72 0.00 0.00 179.24 178.06 3duh n SER 175 N -4.53 5.26 -4.77 6.45 7.64 -1.26 -5.07 113.62 117.34 3duh n SER 175 Ca -0.05 -3.54 -0.40 0.00 1.01 0.00 0.00 58.87 55.89 3duh n SER 175 Cb 0.36 -0.89 0.01 0.00 -1.01 0.00 0.00 64.21 62.67 3duh n SER 175 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3duh s ALA 176 N -3.12 3.36 -0.59 -0.43 0.00 -1.25 -4.98 121.76 114.74 3duh s ALA 176 Ca 0.39 1.47 0.05 0.00 0.00 0.00 0.00 51.96 53.88 3duh s ALA 176 Cb 0.16 -3.58 0.19 0.00 0.00 0.00 0.00 23.12 19.88 3duh s ALA 176 CO -0.03 -1.09 0.49 0.00 0.00 0.00 0.00 175.76 175.13 3duh h PRO 178 N 5.19 0.38 -0.01 0.00 0.11 -1.88 -1.95 132.00 133.83 3duh h PRO 178 Ca 0.18 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3duh h PRO 178 Cb 0.79 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.82 3duh h PRO 178 CO 0.62 0.25 -0.19 0.00 -0.21 0.00 0.00 178.00 178.47 3duh n ALA 179 N -2.42 2.95 -1.67 -0.75 0.00 -1.26 -4.89 120.51 112.46 3duh n ALA 179 Ca 0.28 -0.48 -0.31 0.00 0.00 0.00 0.00 53.44 52.93 3duh n ALA 179 Cb 0.93 -1.05 0.03 0.00 0.00 0.00 0.00 19.45 19.36 3duh n ALA 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3duh s ALA 180 N -2.30 2.82 -0.41 0.00 0.00 -0.74 -5.00 121.76 116.13 3duh s ALA 180 Ca 0.28 0.05 -0.23 0.00 0.00 0.00 0.00 51.96 52.06 3duh s ALA 180 Cb 0.20 -3.15 0.02 0.00 0.00 0.00 0.00 23.12 20.19 3duh s ALA 180 CO 0.45 -1.01 0.76 -2.00 0.00 0.00 0.00 175.76 173.95 3duh s GLU 181 N -5.01 3.52 0.19 0.00 2.12 -1.26 -5.03 118.70 113.23 3duh s GLU 181 Ca 0.57 0.01 -0.30 0.00 0.36 0.00 0.00 54.97 55.60 3duh s GLU 181 Cb -0.13 -3.89 -0.09 0.00 0.26 0.00 0.00 34.13 30.28 3duh s GLU 181 CO 0.53 -0.99 1.41 -1.21 -0.54 0.00 0.00 175.26 174.46 3duh s GLU 182 N 3.13 4.31 -0.05 4.30 2.02 -1.26 -4.93 118.70 126.22 3duh s GLU 182 Ca 0.29 2.19 0.06 0.00 0.02 0.00 0.00 54.97 57.53 3duh s GLU 182 Cb -0.13 -3.17 -0.08 0.00 0.10 0.00 0.00 34.13 30.85 3duh s GLU 182 CO 0.20 -0.40 0.04 -1.13 0.02 0.00 0.00 175.26 173.99 3duh n SER 183 N 2.99 3.49 -4.54 -0.19 3.41 -1.26 -4.99 113.62 112.54 3duh n SER 183 Ca 0.09 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.36 3duh n SER 183 Cb 0.41 0.75 -0.11 0.00 -0.26 0.00 0.00 64.21 65.00 3duh n SER 183 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3duh s LEU 184 N -4.29 3.39 0.60 1.04 1.43 -1.26 -5.11 118.68 114.47 3duh s LEU 184 Ca -0.03 -0.07 -0.16 0.00 -1.03 0.00 0.00 54.13 52.84 3duh s LEU 184 Cb 0.02 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 3duh s LEU 184 CO 0.25 0.18 1.06 -2.16 0.23 0.00 0.00 176.35 175.92 3duh s PRO 185 N 0.31 3.28 0.16 1.29 0.04 -1.26 -4.62 135.00 134.20 3duh s PRO 185 Ca -0.02 1.22 -0.30 0.00 0.04 0.00 0.00 61.00 61.94 3duh s PRO 185 Cb -0.14 -2.03 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 3duh s PRO 185 CO 0.02 -0.85 1.22 0.42 0.04 0.00 0.00 177.00 177.86 3duh s ILE 186 N -2.43 3.59 -0.15 0.56 -1.09 0.11 -1.12 121.20 120.67 3duh s ILE 186 Ca 0.64 1.29 -0.05 0.00 -2.23 0.00 0.00 60.65 60.30 3duh s ILE 186 Cb -0.16 -3.82 -0.04 0.00 -1.58 0.00 0.00 42.46 36.86 3duh s ILE 186 CO 0.37 0.18 0.03 -1.61 -1.23 0.00 0.00 174.94 172.69 3duh s GLU 187 N 0.04 3.62 -0.13 2.79 0.41 0.14 -1.47 118.70 124.10 3duh s GLU 187 Ca 0.55 -0.38 0.03 0.00 -0.41 0.00 0.00 54.97 54.75 3duh s GLU 187 Cb -0.33 -3.04 0.01 0.00 -1.78 0.00 0.00 34.13 28.99 3duh s GLU 187 CO 0.35 0.42 -0.22 0.08 -0.49 0.00 0.00 175.26 175.41 3duh s VAL 188 N -0.07 2.15 -0.17 2.63 1.01 0.12 -1.55 120.40 124.52 3duh s VAL 188 Ca 0.05 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.08 3duh s VAL 188 Cb -0.12 -1.85 0.03 0.00 0.00 0.00 0.00 36.38 34.43 3duh s VAL 188 CO 0.02 0.55 -0.15 -0.04 0.00 0.00 0.00 175.10 175.47 3duh s MET 189 N 0.66 2.49 -0.19 2.72 -1.94 0.91 -0.68 119.30 123.28 3duh s MET 189 Ca -0.11 -0.75 -0.02 0.00 -1.71 0.00 0.00 55.69 53.10 3duh s MET 189 Cb -0.16 -2.37 -0.01 0.00 2.01 0.00 0.00 34.83 34.30 3duh s MET 189 CO 0.02 -0.28 -0.08 0.08 -0.01 0.00 0.00 175.02 174.75 3duh s VAL 190 N 1.38 3.25 -0.10 -6.03 1.01 -0.12 -0.43 120.40 119.37 3duh s VAL 190 Ca 0.03 -0.55 -0.22 0.00 0.00 0.00 0.00 61.98 61.24 3duh s VAL 190 Cb -0.14 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 3duh s VAL 190 CO -0.11 0.47 0.66 -1.81 0.00 0.00 0.00 175.10 174.31 3duh s ASP 191 N 1.03 6.90 -0.22 3.32 1.01 0.11 -1.45 116.67 127.37 3duh s ASP 191 Ca -0.00 1.08 0.01 0.00 0.71 0.00 0.00 52.55 54.35 3duh s ASP 191 Cb -0.15 -2.38 0.03 0.00 1.01 0.00 0.00 42.92 41.43 3duh s ASP 191 CO -0.01 -0.13 -0.14 0.00 0.21 0.00 0.00 175.17 175.11 3duh s ALA 192 N 0.96 2.50 -0.22 5.23 0.00 -0.35 -1.05 121.76 128.83 3duh s ALA 192 Ca 0.34 -1.43 0.01 0.00 0.00 0.00 0.00 51.96 50.88 3duh s ALA 192 Cb -0.17 -1.43 0.03 0.00 0.00 0.00 0.00 23.12 21.55 3duh s ALA 192 CO 0.16 -0.71 -0.14 0.08 0.00 0.00 0.00 175.76 175.15 3duh s VAL 193 N 1.25 2.30 -0.28 0.00 1.01 -0.37 -0.79 120.40 123.52 3duh s VAL 193 Ca -0.00 -1.14 -0.03 0.00 0.00 0.00 0.00 61.98 60.81 3duh s VAL 193 Cb -0.16 -2.12 0.03 0.00 0.00 0.00 0.00 36.38 34.13 3duh s VAL 193 CO -0.08 0.31 -0.01 -2.28 0.00 0.00 0.00 175.10 173.04 3duh s HIS 194 N 1.25 3.15 0.00 5.22 2.46 -0.55 -1.32 115.29 125.51 3duh s HIS 194 Ca 0.00 -1.54 0.00 0.00 0.47 0.00 0.00 55.06 53.99 3duh s HIS 194 Cb -0.16 -2.12 0.00 0.00 -0.13 0.00 0.00 32.58 30.17 3duh s HIS 194 CO -0.09 -0.72 0.00 1.63 -2.47 0.00 0.00 174.74 173.09 3duh n LYS 195 N 4.70 0.00 -0.10 2.88 5.02 -0.85 0.02 118.16 129.83 3duh n LYS 195 Ca -0.15 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.21 3duh n LYS 195 Cb 0.46 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 35.58 3duh n LYS 195 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3duh n LEU 196 N 0.00 2.57 -4.58 -0.35 7.99 -1.26 -4.92 117.00 116.44 3duh n LEU 196 Ca 0.00 -1.48 -0.41 0.00 -0.01 0.00 0.00 56.01 54.11 3duh n LEU 196 Cb 0.00 -0.13 -0.07 0.00 -0.11 0.00 0.00 43.42 43.11 3duh n LEU 196 CO 0.00 0.57 0.35 -0.75 -1.51 0.00 0.00 177.39 176.05 3duh s LYS 197 N -1.05 3.80 -0.15 3.23 2.20 0.10 -1.37 119.74 126.51 3duh s LYS 197 Ca 0.21 0.15 -0.07 0.00 -0.36 0.00 0.00 55.97 55.90 3duh s LYS 197 Cb 0.12 -3.76 -0.04 0.00 -1.51 0.00 0.00 37.83 32.64 3duh s LYS 197 CO 0.17 -0.61 0.09 -0.47 -0.36 0.00 0.00 175.35 174.17 3duh s TYR 198 N 2.58 3.39 0.03 4.03 5.04 -0.33 -1.48 117.35 130.60 3duh s TYR 198 Ca 0.23 0.30 0.01 0.00 -2.44 0.00 0.00 57.07 55.18 3duh s TYR 198 Cb -0.15 -1.99 -0.02 0.00 0.35 0.00 0.00 41.96 40.15 3duh s TYR 198 CO 0.13 0.44 -0.04 -1.21 -1.34 0.00 0.00 175.55 173.53 3duh s GLU 199 N -0.35 0.36 -0.14 4.97 2.02 0.03 -4.22 118.70 121.38 3duh s GLU 199 Ca 0.10 -0.61 -0.06 0.00 0.02 0.00 0.00 54.97 54.42 3duh s GLU 199 Cb -0.12 -0.04 -0.04 0.00 0.10 0.00 0.00 34.13 34.03 3duh s GLU 199 CO 0.01 -0.01 0.09 -0.80 0.02 0.00 0.00 175.26 174.58 3duh s ASN 200 N -1.37 5.98 -0.00 -0.19 -0.87 -1.26 -1.21 114.94 116.02 3duh s ASN 200 Ca -0.13 0.29 0.03 0.00 -1.57 0.00 0.00 52.86 51.49 3duh s ASN 200 Cb -0.09 -1.93 -0.01 0.00 -0.02 0.00 0.00 41.25 39.20 3duh s ASN 200 CO -0.00 0.33 -0.11 -0.31 -2.57 0.00 0.00 177.10 174.43 3duh s TYR 201 N -0.54 0.98 0.04 2.20 2.02 -0.53 -5.01 117.35 116.52 3duh s TYR 201 Ca 0.11 -0.20 0.03 0.00 -0.37 0.00 0.00 57.07 56.64 3duh s TYR 201 Cb -0.12 -0.63 -0.02 0.00 -0.40 0.00 0.00 41.96 40.79 3duh s TYR 201 CO 0.02 -0.01 -0.09 -0.08 -1.57 0.00 0.00 175.55 173.82 3duh s THR 202 N -0.31 0.62 -0.10 -0.71 -1.32 -1.26 -0.94 115.64 111.62 3duh s THR 202 Ca 0.04 -1.04 -0.07 0.00 -1.21 0.00 0.00 61.69 59.40 3duh s THR 202 Cb -0.04 -0.66 0.03 0.00 -1.51 0.00 0.00 72.50 70.32 3duh s THR 202 CO -0.00 -0.32 0.24 -0.55 -2.21 0.00 0.00 174.62 171.78 3duh s SER 203 N -1.48 -0.26 -0.03 8.08 0.15 0.15 -4.83 113.70 115.48 3duh s SER 203 Ca -0.08 0.50 0.03 0.00 0.70 0.00 0.00 55.95 57.11 3duh s SER 203 Cb -0.09 0.46 -0.00 0.00 -1.71 0.00 0.00 66.02 64.68 3duh s SER 203 CO 0.01 -0.12 -0.13 -0.55 1.20 0.00 0.00 173.24 173.65 3duh s SER 204 N 0.57 1.61 -0.03 5.45 0.15 -1.26 0.16 113.70 120.35 3duh s SER 204 Ca -0.04 -0.26 -0.30 0.00 0.70 0.00 0.00 55.95 56.05 3duh s SER 204 Cb -0.05 -0.41 0.11 0.00 -1.71 0.00 0.00 66.02 63.96 3duh s SER 204 CO -0.03 0.11 1.05 0.72 1.20 0.00 0.00 173.24 176.29 3duh s PHE 205 N 0.08 -0.20 -0.02 3.44 -0.12 -0.54 -4.98 117.98 115.63 3duh s PHE 205 Ca -0.02 0.07 -0.15 0.00 -0.05 0.00 0.00 56.93 56.77 3duh s PHE 205 Cb -0.09 0.55 -0.05 0.00 -0.63 0.00 0.00 43.02 42.79 3duh s PHE 205 CO 0.01 -0.45 0.41 -0.06 -0.05 0.00 0.00 175.22 175.07 3duh s PHE 206 N -2.84 3.69 0.26 3.49 0.40 -1.26 0.06 117.98 121.77 3duh s PHE 206 Ca 0.09 0.96 -0.02 0.00 -0.60 0.00 0.00 56.93 57.35 3duh s PHE 206 Cb -0.00 -2.32 0.52 0.00 0.51 0.00 0.00 43.02 41.74 3duh s PHE 206 CO -0.05 0.58 1.71 0.82 0.70 0.00 0.00 175.22 178.97 3duh h ILE 207 N 3.86 0.57 -0.78 0.64 1.08 -1.97 -0.85 117.51 120.06 3duh h ILE 207 Ca -0.50 -0.13 0.23 0.00 -0.39 0.00 0.00 64.86 64.07 3duh h ILE 207 Cb 1.21 0.15 -0.03 0.00 -3.07 0.00 0.00 36.82 35.08 3duh h ILE 207 CO 0.64 0.07 0.60 0.08 -0.69 0.00 0.00 178.15 178.84 3duh h ARG 208 N 0.38 0.00 0.00 2.37 0.11 -1.95 -0.78 114.38 114.51 3duh h ARG 208 Ca 0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.53 3duh h ARG 208 Cb 0.76 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.84 3duh h ARG 208 CO -0.47 0.00 -0.63 -0.25 0.10 0.00 0.00 179.97 178.72 3duh n ASP 209 N -4.16 0.64 -0.72 0.08 8.00 -0.33 -3.78 116.55 116.28 3duh n ASP 209 Ca 0.16 0.03 0.06 0.00 0.71 0.00 0.00 54.79 55.76 3duh n ASP 209 Cb 0.88 0.23 0.16 0.00 -0.02 0.00 0.00 41.12 42.37 3duh n ASP 209 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3duh n ILE 210 N -1.98 0.89 -1.95 0.53 -5.35 -0.34 -4.77 119.36 106.39 3duh n ILE 210 Ca 0.04 -0.94 -0.42 0.00 -0.27 0.00 0.00 62.75 61.15 3duh n ILE 210 Cb 0.42 0.59 -0.03 0.00 -1.74 0.00 0.00 39.64 38.88 3duh n ILE 210 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3duh s ILE 211 N -1.01 2.69 -0.23 7.28 -1.09 -0.97 -0.90 121.20 126.98 3duh s ILE 211 Ca 0.26 0.48 -0.04 0.00 -2.23 0.00 0.00 60.65 59.12 3duh s ILE 211 Cb 0.14 -3.31 0.09 0.00 -1.58 0.00 0.00 42.46 37.80 3duh s ILE 211 CO 0.18 0.03 0.19 -0.75 -1.23 0.00 0.00 174.94 173.36 3duh s LYS 212 N 1.26 0.19 0.87 2.79 2.20 0.51 -1.97 119.74 125.58 3duh s LYS 212 Ca 0.70 -0.06 -0.12 0.00 -0.36 0.00 0.00 55.97 56.13 3duh s LYS 212 Cb -0.43 -1.24 0.11 0.00 -1.51 0.00 0.00 37.83 34.76 3duh s LYS 212 CO 0.31 -0.80 1.10 -1.25 -0.36 0.00 0.00 175.35 174.36 3duh s PRO 213 N 2.25 1.47 0.79 4.03 0.05 -1.26 -4.16 135.00 138.17 3duh s PRO 213 Ca 0.07 0.64 -0.11 0.00 0.05 0.00 0.00 61.00 61.65 3duh s PRO 213 Cb -0.16 -1.85 0.07 0.00 0.05 0.00 0.00 34.50 32.62 3duh s PRO 213 CO -0.20 -2.05 1.11 -0.51 0.05 0.00 0.00 177.00 175.40 3duh s ASP 214 N -3.71 4.21 0.75 6.66 1.01 -1.26 -4.17 116.67 120.16 3duh s ASP 214 Ca 0.63 1.92 -0.15 0.00 0.71 0.00 0.00 52.55 55.66 3duh s ASP 214 Cb -0.16 -2.53 0.05 0.00 1.01 0.00 0.00 42.92 41.29 3duh s ASP 214 CO 0.55 -2.24 1.22 -2.84 0.21 0.00 0.00 175.17 172.08 3duh s PRO 215 N -4.79 1.97 0.34 8.23 0.02 -1.26 -4.71 135.00 134.80 3duh s PRO 215 Ca 0.63 1.80 -0.27 0.00 0.02 0.00 0.00 61.00 63.18 3duh s PRO 215 Cb -0.19 -1.81 -0.13 0.00 0.02 0.00 0.00 34.50 32.40 3duh s PRO 215 CO 0.55 -1.98 1.02 -2.30 -0.33 0.00 0.00 177.00 173.97 3duh n PRO 216 N -2.87 1.41 -4.06 5.54 -0.02 -1.26 -4.32 135.00 129.41 3duh n PRO 216 Ca 0.14 0.50 -0.22 0.00 -2.02 0.00 0.00 63.50 61.89 3duh n PRO 216 Cb 0.50 -1.94 -0.04 0.00 -0.02 0.00 0.00 33.50 32.00 3duh n PRO 216 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3duh s LYS 217 N -1.73 3.12 -1.39 -0.52 -2.85 -0.65 -4.66 119.74 111.06 3duh s LYS 217 Ca 0.60 -0.92 -0.04 0.00 -1.00 0.00 0.00 55.97 54.61 3duh s LYS 217 Cb -0.64 -2.70 0.03 0.00 -2.06 0.00 0.00 37.83 32.46 3duh s LYS 217 CO 0.59 0.42 0.76 -1.71 0.10 0.00 0.00 175.35 175.52 3duh n ASN 218 N -1.15 -2.21 -4.67 0.03 5.15 -1.26 -0.93 115.26 110.22 3duh n ASN 218 Ca -0.08 -0.82 -0.42 0.00 -0.60 0.00 0.00 54.58 52.65 3duh n ASN 218 Cb 0.57 -3.92 -0.03 0.00 -0.53 0.00 0.00 39.78 35.87 3duh n ASN 218 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3duh s LEU 219 N -6.89 4.30 -0.03 1.20 2.96 -1.26 -4.30 118.68 114.66 3duh s LEU 219 Ca 0.21 2.13 -0.11 0.00 -0.22 0.00 0.00 54.13 56.13 3duh s LEU 219 Cb -0.10 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.06 3duh s LEU 219 CO 0.82 -0.83 0.25 0.00 -1.32 0.00 0.00 176.35 175.27 3duh s GLN 220 N 3.34 0.54 0.03 1.98 -2.07 -0.42 -4.97 119.66 118.10 3duh s GLN 220 Ca 0.67 -0.14 0.01 0.00 -1.82 0.00 0.00 55.36 54.08 3duh s GLN 220 Cb -0.31 0.24 -0.04 0.00 -1.09 0.00 0.00 33.01 31.81 3duh s GLN 220 CO 0.26 -0.13 0.07 -0.51 -1.32 0.00 0.00 175.29 173.66 3duh s LEU 221 N -1.05 3.79 -0.29 2.60 1.43 -1.26 -1.25 118.68 122.64 3duh s LEU 221 Ca -0.11 0.06 -0.03 0.00 -1.03 0.00 0.00 54.13 53.02 3duh s LEU 221 Cb -0.05 -2.31 0.11 0.00 0.03 0.00 0.00 46.19 43.97 3duh s LEU 221 CO 0.03 0.23 0.19 -0.75 0.23 0.00 0.00 176.35 176.28 3duh s LYS 222 N -1.97 0.26 0.36 1.70 2.20 -0.39 -4.97 119.74 116.92 3duh s LYS 222 Ca 0.25 -0.46 -0.27 0.00 -0.36 0.00 0.00 55.97 55.13 3duh s LYS 222 Cb -0.12 -1.00 -0.09 0.00 -1.51 0.00 0.00 37.83 35.10 3duh s LYS 222 CO 0.17 -1.04 1.22 -1.25 -0.36 0.00 0.00 175.35 174.09 3duh s PRO 223 N 2.11 4.24 0.44 4.03 0.04 -1.26 -1.43 135.00 143.18 3duh s PRO 223 Ca 0.10 2.01 -0.21 0.00 0.04 0.00 0.00 61.00 62.94 3duh s PRO 223 Cb -0.16 -2.91 -0.10 0.00 0.04 0.00 0.00 34.50 31.37 3duh s PRO 223 CO -0.33 -0.21 0.98 -0.51 0.04 0.00 0.00 177.00 176.97 3duh s LEU 224 N -2.07 3.93 -0.05 -3.56 2.01 -0.26 -4.92 118.68 113.76 3duh s LEU 224 Ca 0.52 1.79 -0.30 0.00 0.01 0.00 0.00 54.13 56.16 3duh s LEU 224 Cb -0.35 -4.52 -0.06 0.00 0.01 0.00 0.00 46.19 41.27 3duh s LEU 224 CO 0.45 -0.50 1.72 -0.75 1.01 0.00 0.00 176.35 178.28 3duh s LYS 225 N -3.13 4.14 -1.45 1.70 2.47 -1.26 -3.46 119.74 118.75 3duh s LYS 225 Ca 0.63 2.25 -0.00 0.00 -1.56 0.00 0.00 55.97 57.29 3duh s LYS 225 Cb -0.12 -4.03 0.00 0.00 -1.46 0.00 0.00 37.83 32.22 3duh s LYS 225 CO 0.16 -0.90 0.27 -1.71 0.16 0.00 0.00 175.35 173.33 3duh n ASN 226 N 7.32 0.10 -3.90 1.43 4.05 -1.26 -4.97 115.26 118.03 3duh n ASN 226 Ca 0.18 -1.11 -0.12 0.00 0.45 0.00 0.00 54.58 53.98 3duh n ASN 226 Cb 0.43 -2.52 -0.08 0.00 1.23 0.00 0.00 39.78 38.84 3duh n ASN 226 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 3duh s SER 227 N -4.37 0.36 0.00 1.20 0.15 -1.22 -5.06 113.70 104.76 3duh s SER 227 Ca 0.01 -1.31 0.24 0.00 0.70 0.00 0.00 55.95 55.58 3duh s SER 227 Cb -0.00 0.50 0.27 0.00 -1.71 0.00 0.00 66.02 65.08 3duh s SER 227 CO 0.93 -1.02 1.25 0.54 1.20 0.00 0.00 173.24 176.13 3duh n ARG 228 N -0.39 0.26 -2.67 5.44 3.00 -1.26 -4.71 116.66 116.34 3duh n ARG 228 Ca 0.01 -0.18 -0.39 0.00 -0.01 0.00 0.00 57.85 57.28 3duh n ARG 228 Cb 0.64 -1.50 -0.05 0.00 0.00 0.00 0.00 32.46 31.55 3duh n ARG 228 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 3duh s GLN 229 N -2.87 4.68 -0.04 5.56 -0.21 -1.26 -2.39 119.66 123.13 3duh s GLN 229 Ca 0.13 1.54 0.05 0.00 0.02 0.00 0.00 55.36 57.10 3duh s GLN 229 Cb 0.17 -3.09 -0.01 0.00 1.00 0.00 0.00 33.01 31.09 3duh s GLN 229 CO 0.71 0.33 -0.21 0.54 -2.12 0.00 0.00 175.29 174.54 3duh s VAL 230 N -1.31 1.69 -0.40 1.09 0.11 0.24 -1.10 120.40 120.71 3duh s VAL 230 Ca 0.45 -0.87 -0.24 0.00 -2.93 0.00 0.00 61.98 58.39 3duh s VAL 230 Cb -0.26 -1.44 0.02 0.00 -1.53 0.00 0.00 36.38 33.18 3duh s VAL 230 CO 0.32 0.48 0.85 -0.70 -3.33 0.00 0.00 175.10 172.72 3duh s GLU 231 N -0.13 3.66 -0.03 1.54 2.12 -0.51 -0.34 118.70 125.01 3duh s GLU 231 Ca -0.02 0.26 -0.26 0.00 0.36 0.00 0.00 54.97 55.31 3duh s GLU 231 Cb -0.12 -3.86 -0.04 0.00 0.26 0.00 0.00 34.13 30.38 3duh s GLU 231 CO 0.02 -1.01 0.82 0.08 -0.54 0.00 0.00 175.26 174.64 3duh s VAL 232 N 3.37 4.94 0.10 3.70 1.01 0.18 -1.26 120.40 132.43 3duh s VAL 232 Ca 0.34 1.71 0.02 0.00 0.00 0.00 0.00 61.98 64.06 3duh s VAL 232 Cb -0.12 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 3duh s VAL 232 CO 0.21 0.23 -0.08 -0.94 0.00 0.00 0.00 175.10 174.52 3duh s SER 233 N 0.78 1.24 0.24 3.32 1.04 -0.38 -1.41 113.70 118.52 3duh s SER 233 Ca 0.43 -0.93 -0.21 0.00 0.48 0.00 0.00 55.95 55.72 3duh s SER 233 Cb -0.19 0.06 0.07 0.00 0.10 0.00 0.00 66.02 66.06 3duh s SER 233 CO 0.23 -0.39 0.95 -1.66 0.98 0.00 0.00 173.24 173.35 3duh s TRP 234 N -3.18 0.05 0.15 5.02 -2.14 -1.02 -1.30 118.94 116.51 3duh s TRP 234 Ca 0.09 -0.51 0.03 0.00 2.66 0.00 0.00 56.10 58.37 3duh s TRP 234 Cb 0.02 0.73 -0.05 0.00 -3.10 0.00 0.00 33.47 31.08 3duh s TRP 234 CO -0.03 -1.09 -0.04 -1.21 -2.66 0.00 0.00 176.95 171.92 3duh s GLU 235 N -2.41 1.04 0.40 3.25 2.02 -0.11 -4.84 118.70 118.05 3duh s GLU 235 Ca 0.19 -1.47 -0.26 0.00 0.02 0.00 0.00 54.97 53.44 3duh s GLU 235 Cb -0.03 -0.36 -0.09 0.00 0.10 0.00 0.00 34.13 33.75 3duh s GLU 235 CO 0.06 -0.05 1.32 0.71 0.02 0.00 0.00 175.26 177.32 3duh s TYR 236 N -3.55 2.80 0.70 1.61 1.51 -1.26 -1.64 117.35 117.52 3duh s TYR 236 Ca 0.19 1.39 -0.16 0.00 -1.01 0.00 0.00 57.07 57.49 3duh s TYR 236 Cb 0.05 -3.70 0.02 0.00 -0.11 0.00 0.00 41.96 38.23 3duh s TYR 236 CO 0.01 -2.15 1.23 -1.25 -1.11 0.00 0.00 175.55 172.28 3duh s PRO 237 N -2.22 2.28 0.48 -1.71 0.04 -1.26 -4.54 135.00 128.06 3duh s PRO 237 Ca 0.57 1.86 0.27 0.00 0.04 0.00 0.00 61.00 63.73 3duh s PRO 237 Cb -0.39 -1.84 1.09 0.00 0.04 0.00 0.00 34.50 33.40 3duh s PRO 237 CO 0.50 -1.75 1.89 -0.44 0.04 0.00 0.00 177.00 177.24 3duh h ASP 238 N -0.00 0.00 1.20 6.66 3.32 -1.94 -2.96 116.42 122.69 3duh h ASP 238 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3duh h ASP 238 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3duh h ASP 238 CO 0.51 0.16 0.00 0.35 -1.72 0.00 0.00 179.24 178.54 3duh n THR 239 N -3.34 0.65 -2.22 0.35 -2.24 -1.26 -4.88 114.28 101.34 3duh n THR 239 Ca 0.00 -0.10 -0.37 0.00 -2.27 0.00 0.00 64.05 61.31 3duh n THR 239 Cb 0.38 -0.78 -0.00 0.00 -2.10 0.00 0.00 70.33 67.83 3duh n THR 239 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3duh s TRP 240 N -3.17 2.82 0.32 4.78 -0.11 -1.12 -4.47 118.94 117.99 3duh s TRP 240 Ca 0.09 1.52 -0.29 0.00 1.22 0.00 0.00 56.10 58.64 3duh s TRP 240 Cb 0.12 -3.40 -0.12 0.00 -1.50 0.00 0.00 33.47 28.56 3duh s TRP 240 CO 0.52 -1.61 1.48 0.43 -4.62 0.00 0.00 176.95 173.15 3duh n SER 241 N -0.59 3.52 -4.54 5.86 7.64 -1.26 -5.03 113.62 119.22 3duh n SER 241 Ca 0.08 1.18 -0.26 0.00 1.01 0.00 0.00 58.87 60.88 3duh n SER 241 Cb 0.48 -1.56 -0.10 0.00 -1.01 0.00 0.00 64.21 62.02 3duh n SER 241 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3duh s THR 242 N -0.58 3.00 0.34 0.44 -4.23 -1.26 -4.13 115.64 109.23 3duh s THR 242 Ca 0.59 -1.81 -0.27 0.00 -1.18 0.00 0.00 61.69 59.02 3duh s THR 242 Cb -0.52 -2.50 -0.09 0.00 1.34 0.00 0.00 72.50 70.73 3duh s THR 242 CO 0.56 -0.16 1.15 -2.16 -0.54 0.00 0.00 174.62 173.47 3duh s PRO 243 N -2.94 4.36 0.49 3.99 0.04 -1.26 -4.93 135.00 134.76 3duh s PRO 243 Ca 0.25 1.85 0.14 0.00 0.04 0.00 0.00 61.00 63.28 3duh s PRO 243 Cb -0.08 -2.94 1.16 0.00 0.04 0.00 0.00 34.50 32.68 3duh s PRO 243 CO 0.15 -0.05 2.12 0.45 0.04 0.00 0.00 177.00 179.70 3duh h HIS 244 N 3.24 0.10 -0.26 0.56 3.86 -1.82 -0.27 115.15 120.57 3duh h HIS 244 Ca -0.48 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 58.81 3duh h HIS 244 Cb 1.22 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.65 3duh h HIS 244 CO 0.57 0.08 0.34 0.66 0.86 0.00 0.00 177.93 180.44 3duh h SER 245 N 0.11 0.00 0.00 2.45 4.64 -1.98 -2.94 113.55 115.83 3duh h SER 245 Ca 0.03 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.30 3duh h SER 245 Cb 0.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3duh h SER 245 CO -0.00 0.00 -0.95 0.00 -0.87 0.00 0.00 176.83 175.00 3duh n TYR 246 N -3.57 0.00 -2.26 4.77 4.19 -0.65 -4.69 117.16 114.95 3duh n TYR 246 Ca 0.04 0.00 -0.43 0.00 3.31 0.00 0.00 57.90 60.82 3duh n TYR 246 Cb 0.48 -0.43 0.00 0.00 0.49 0.00 0.00 39.34 39.88 3duh n TYR 246 CO 0.00 0.00 0.00 1.19 0.91 0.00 0.00 176.86 178.96 3duh n PHE 247 N -4.19 3.46 -1.96 2.98 3.72 -0.20 -4.99 117.46 116.28 3duh n PHE 247 Ca -0.15 -2.91 -0.37 0.00 -0.05 0.00 0.00 57.45 53.97 3duh n PHE 247 Cb 0.45 -2.19 0.03 0.00 -0.94 0.00 0.00 39.48 36.83 3duh n PHE 247 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3duh s SER 248 N 1.96 5.24 0.30 4.37 0.01 -1.11 -4.60 113.70 119.86 3duh s SER 248 Ca 0.43 2.49 0.11 0.00 1.31 0.00 0.00 55.95 60.28 3duh s SER 248 Cb 0.09 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.66 3duh s SER 248 CO -0.02 -1.57 -0.11 -0.76 0.41 0.00 0.00 173.24 171.20 3duh s LEU 249 N -3.88 2.79 0.14 2.44 1.43 -1.26 -1.32 118.68 119.02 3duh s LEU 249 Ca 0.75 -0.99 0.05 0.00 -1.03 0.00 0.00 54.13 52.91 3duh s LEU 249 Cb -0.33 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 3duh s LEU 249 CO 0.37 -0.07 -0.12 0.28 0.23 0.00 0.00 176.35 177.04 3duh s THR 250 N -2.50 1.27 0.14 5.49 -1.32 0.53 -4.59 115.64 114.66 3duh s THR 250 Ca 0.32 -1.90 0.07 0.00 -1.21 0.00 0.00 61.69 58.97 3duh s THR 250 Cb -0.03 -1.69 -0.04 0.00 -1.51 0.00 0.00 72.50 69.23 3duh s THR 250 CO 0.17 -0.58 -0.15 -0.36 -2.21 0.00 0.00 174.62 171.48 3duh s PHE 251 N -2.73 1.53 -0.18 9.09 0.08 -0.07 -1.24 117.98 124.47 3duh s PHE 251 Ca 0.13 -0.53 0.01 0.00 0.12 0.00 0.00 56.93 56.65 3duh s PHE 251 Cb -0.01 -0.79 0.03 0.00 -0.57 0.00 0.00 43.02 41.68 3duh s PHE 251 CO 0.02 0.20 -0.13 0.00 -0.10 0.00 0.00 175.22 175.21 3duh s VAL 253 N 1.42 4.92 -0.05 0.00 1.01 -0.02 -1.02 120.40 126.66 3duh s VAL 253 Ca 0.02 0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.09 3duh s VAL 253 Cb -0.14 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.94 3duh s VAL 253 CO -0.10 0.36 -0.25 -1.58 0.00 0.00 0.00 175.10 173.53 3duh s GLN 254 N 1.14 2.37 -0.22 2.72 0.74 0.25 -0.45 119.66 126.22 3duh s GLN 254 Ca 0.06 -0.89 -0.01 0.00 0.05 0.00 0.00 55.36 54.56 3duh s GLN 254 Cb -0.14 -2.08 0.01 0.00 1.10 0.00 0.00 33.01 31.90 3duh s GLN 254 CO 0.04 0.42 -0.10 0.08 -0.55 0.00 0.00 175.29 175.18 3duh s VAL 255 N -0.27 2.78 0.00 1.34 1.01 0.13 0.25 120.40 125.64 3duh s VAL 255 Ca -0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.11 3duh s VAL 255 Cb -0.13 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 3duh s VAL 255 CO 0.02 0.37 0.06 0.00 0.00 0.00 0.00 175.10 175.56 3duh s GLN 256 N 1.36 0.35 0.89 2.72 -2.07 -0.84 -2.04 119.66 120.02 3duh s GLN 256 Ca 0.03 -0.39 -0.12 0.00 -1.82 0.00 0.00 55.36 53.06 3duh s GLN 256 Cb -0.15 0.14 0.17 0.00 -1.09 0.00 0.00 33.01 32.09 3duh s GLN 256 CO -0.07 -0.07 1.22 0.20 -1.32 0.00 0.00 175.29 175.26 3duh s GLY 257 N -1.17 1.77 0.07 2.60 0.00 -1.26 -1.26 107.32 108.07 3duh s GLY 257 Ca -0.13 -1.33 0.02 0.00 0.00 0.00 0.00 44.72 43.28 3duh s GLY 257 CO 0.00 -0.63 1.12 0.50 0.00 0.00 0.00 173.10 174.09 3duh h LYS 258 N -1.30 0.13 0.00 2.90 1.79 -1.94 -3.47 116.57 114.67 3duh h LYS 258 Ca -0.42 -0.22 -0.36 0.00 -2.18 0.00 0.00 60.65 57.46 3duh h LYS 258 Cb 1.25 0.08 0.17 0.00 -1.58 0.00 0.00 32.23 32.15 3duh h LYS 258 CO 0.40 1.05 0.20 -1.13 -1.08 0.00 0.00 179.45 178.89 3duh n SER 259 N -3.40 -1.21 -0.08 0.86 3.41 -1.26 -5.05 113.62 106.89 3duh n SER 259 Ca -0.07 -1.22 -0.09 0.00 -0.26 0.00 0.00 58.87 57.23 3duh n SER 259 Cb 0.99 -0.90 -0.05 0.00 -0.26 0.00 0.00 64.21 64.00 3duh n SER 259 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3duh h LYS 260 N 0.00 0.00 -0.06 4.33 1.63 -2.02 -3.39 116.57 117.06 3duh h LYS 260 Ca -0.37 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 3duh h LYS 260 Cb 1.10 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.73 3duh h LYS 260 CO 0.25 0.33 0.00 0.54 -3.45 0.00 0.00 179.45 177.13 3duh n ARG 261 N -4.59 1.14 -2.01 1.90 3.00 -1.26 -4.89 116.66 109.95 3duh n ARG 261 Ca -0.13 -0.22 -0.31 0.00 -0.01 0.00 0.00 57.85 57.19 3duh n ARG 261 Cb 0.35 -1.05 0.00 0.00 0.00 0.00 0.00 32.46 31.76 3duh n ARG 261 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 3duh s GLU 262 N -1.92 3.63 0.73 5.56 2.02 -1.26 -5.00 118.70 122.45 3duh s GLU 262 Ca 0.05 0.71 -0.16 0.00 0.02 0.00 0.00 54.97 55.59 3duh s GLU 262 Cb 0.02 -2.12 0.04 0.00 0.10 0.00 0.00 34.13 32.17 3duh s GLU 262 CO 0.03 -0.50 1.24 0.15 0.02 0.00 0.00 175.26 176.21 3duh s LYS 263 N -5.02 2.09 0.02 1.61 3.01 -1.26 -4.84 119.74 115.35 3duh s LYS 263 Ca 0.54 1.89 0.01 0.00 -1.01 0.00 0.00 55.97 57.40 3duh s LYS 263 Cb -0.11 -1.81 -0.02 0.00 -1.01 0.00 0.00 37.83 34.88 3duh s LYS 263 CO 0.51 -1.90 -0.04 0.21 0.51 0.00 0.00 175.35 174.64 3duh s LYS 264 N -3.78 0.33 -0.09 1.68 2.20 -1.26 -4.11 119.74 114.71 3duh s LYS 264 Ca 0.77 -0.55 -0.04 0.00 -0.36 0.00 0.00 55.97 55.79 3duh s LYS 264 Cb -0.32 -0.02 0.05 0.00 -1.51 0.00 0.00 37.83 36.02 3duh s LYS 264 CO 0.45 -0.01 0.19 -0.51 -0.36 0.00 0.00 175.35 175.11 3duh s ASP 265 N -1.25 0.04 -0.10 1.43 1.01 -0.87 -4.99 116.67 111.94 3duh s ASP 265 Ca -0.12 0.40 -0.04 0.00 0.71 0.00 0.00 52.55 53.50 3duh s ASP 265 Cb -0.08 0.32 0.05 0.00 1.01 0.00 0.00 42.92 44.22 3duh s ASP 265 CO -0.01 -0.18 0.21 -0.60 0.21 0.00 0.00 175.17 174.80 3duh s ARG 266 N 1.52 0.10 0.01 8.23 3.52 -1.26 -0.70 118.95 130.37 3duh s ARG 266 Ca -0.06 0.62 0.04 0.00 -0.13 0.00 0.00 55.73 56.21 3duh s ARG 266 Cb -0.11 -0.15 -0.01 0.00 -1.56 0.00 0.00 34.95 33.11 3duh s ARG 266 CO -0.07 -0.28 -0.14 0.08 -0.81 0.00 0.00 175.30 174.09 3duh s VAL 267 N 2.17 1.08 -0.08 7.11 1.01 0.41 -4.98 120.40 127.13 3duh s VAL 267 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.27 3duh s VAL 267 Cb -0.12 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 3duh s VAL 267 CO -0.07 0.20 -0.07 -0.36 0.00 0.00 0.00 175.10 174.80 3duh s PHE 268 N -0.49 2.93 -0.21 5.22 0.08 -1.26 -0.84 117.98 123.40 3duh s PHE 268 Ca 0.04 -0.08 -0.27 0.00 0.12 0.00 0.00 56.93 56.75 3duh s PHE 268 Cb -0.06 -1.75 0.08 0.00 -0.57 0.00 0.00 43.02 40.72 3duh s PHE 268 CO 0.00 0.24 0.74 -0.08 -0.10 0.00 0.00 175.22 176.02 3duh s THR 269 N -0.57 0.00 -1.21 0.64 -1.32 -0.97 -5.01 115.64 107.20 3duh s THR 269 Ca 0.08 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.82 3duh s THR 269 Cb -0.12 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 69.94 3duh s THR 269 CO 0.02 0.00 1.43 0.47 -2.21 0.00 0.00 174.62 174.33 3duh n ASP 270 N 2.14 0.68 -4.88 8.08 8.00 -1.26 -0.89 116.55 128.41 3duh n ASP 270 Ca -0.15 -0.47 -0.30 0.00 0.71 0.00 0.00 54.79 54.58 3duh n ASP 270 Cb 0.56 0.26 0.05 0.00 -0.02 0.00 0.00 41.12 41.97 3duh n ASP 270 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3duh s LYS 271 N -2.86 2.75 -0.50 -1.24 1.02 -1.26 -4.86 119.74 112.79 3duh s LYS 271 Ca 0.15 0.42 0.03 0.00 0.02 0.00 0.00 55.97 56.59 3duh s LYS 271 Cb 0.18 -2.01 0.56 0.00 -0.52 0.00 0.00 37.83 36.04 3duh s LYS 271 CO 0.66 -1.11 1.87 0.25 -0.92 0.00 0.00 175.35 176.10 3duh n THR 272 N -3.05 3.24 -3.67 2.17 -2.24 -1.26 -4.78 114.28 104.69 3duh n THR 272 Ca 0.07 -2.48 -0.10 0.00 -2.27 0.00 0.00 64.05 59.26 3duh n THR 272 Cb 0.58 -0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 68.04 3duh n THR 272 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3duh s SER 273 N -1.75 -0.23 -0.08 3.42 1.04 -1.26 -2.45 113.70 112.40 3duh s SER 273 Ca 0.58 -0.38 -0.31 0.00 0.48 0.00 0.00 55.95 56.32 3duh s SER 273 Cb 0.48 0.50 0.08 0.00 0.10 0.00 0.00 66.02 67.18 3duh s SER 273 CO 0.05 -0.91 0.76 0.00 0.98 0.00 0.00 173.24 174.12 3duh s ALA 274 N -3.83 -1.81 -0.24 5.32 0.00 -0.50 -5.00 121.76 115.69 3duh s ALA 274 Ca 0.05 1.39 -0.07 0.00 0.00 0.00 0.00 51.96 53.33 3duh s ALA 274 Cb 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 3duh s ALA 274 CO -0.09 -0.36 0.05 0.99 0.00 0.00 0.00 175.76 176.35 3duh s THR 275 N -1.17 4.12 0.32 0.00 2.01 -1.26 0.49 115.64 120.15 3duh s THR 275 Ca -0.09 -0.24 0.09 0.00 0.31 0.00 0.00 61.69 61.77 3duh s THR 275 Cb -0.00 -2.92 -0.06 0.00 0.01 0.00 0.00 72.50 69.53 3duh s THR 275 CO 0.08 0.36 -0.11 0.68 -0.69 0.00 0.00 174.62 174.94 3duh s VAL 276 N 1.56 2.16 -0.27 3.82 -7.23 0.54 -4.92 120.40 116.06 3duh s VAL 276 Ca 0.06 -2.23 -0.15 0.00 -1.81 0.00 0.00 61.98 57.85 3duh s VAL 276 Cb -0.15 -2.54 -0.03 0.00 0.56 0.00 0.00 36.38 34.22 3duh s VAL 276 CO 0.02 -0.26 0.40 -0.63 -0.31 0.00 0.00 175.10 174.32 3duh s ILE 277 N -2.67 5.15 0.54 -0.62 1.01 -1.26 0.80 121.20 124.14 3duh s ILE 277 Ca 0.31 0.60 -0.06 0.00 0.00 0.00 0.00 60.65 61.50 3duh s ILE 277 Cb 0.01 -3.73 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 3duh s ILE 277 CO 0.15 0.13 0.85 0.00 0.00 0.00 0.00 174.94 176.06 3duh s ARG 279 N -4.87 1.02 0.25 0.00 1.70 -1.26 -4.90 118.95 110.88 3duh s ARG 279 Ca 0.51 0.29 -0.29 0.00 -0.47 0.00 0.00 55.73 55.77 3duh s ARG 279 Cb -0.10 0.48 -0.15 0.00 -0.57 0.00 0.00 34.95 34.61 3duh s ARG 279 CO 0.45 -0.30 0.95 1.63 -1.08 0.00 0.00 175.30 176.95 3duh n LYS 280 N 1.08 1.06 -1.99 3.89 4.76 -1.26 -1.53 118.16 124.17 3duh n LYS 280 Ca -0.19 0.37 -0.20 0.00 -2.87 0.00 0.00 58.31 55.42 3duh n LYS 280 Cb 0.57 -1.70 -0.05 0.00 -1.84 0.00 0.00 35.03 32.01 3duh n LYS 280 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3duh n ASN 281 N 1.51 -5.59 -4.71 4.39 5.03 -1.26 -4.99 115.26 109.64 3duh n ASN 281 Ca 0.12 0.24 -0.31 0.00 0.87 0.00 0.00 54.58 55.50 3duh n ASN 281 Cb 0.29 -4.73 -0.08 0.00 -1.02 0.00 0.00 39.78 34.24 3duh n ASN 281 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3duh s ALA 282 N -2.88 3.36 0.12 5.41 0.00 -0.58 -3.39 121.76 123.79 3duh s ALA 282 Ca 0.00 -1.03 0.09 0.00 0.00 0.00 0.00 51.96 51.02 3duh s ALA 282 Cb 0.00 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 3duh s ALA 282 CO 0.00 0.69 -0.16 -1.54 0.00 0.00 0.00 175.76 174.75 3duh s SER 283 N -2.05 3.99 -0.34 0.00 1.04 -0.39 -0.69 113.70 115.26 3duh s SER 283 Ca 0.24 -0.53 -0.12 0.00 0.48 0.00 0.00 55.95 56.02 3duh s SER 283 Cb -0.12 -0.60 -0.01 0.00 0.10 0.00 0.00 66.02 65.39 3duh s SER 283 CO 0.16 0.17 0.21 -0.63 0.98 0.00 0.00 173.24 174.14 3duh s ILE 284 N -1.19 5.01 -0.09 -1.02 -1.09 0.78 -1.99 121.20 121.61 3duh s ILE 284 Ca 0.19 -0.34 -0.04 0.00 -2.23 0.00 0.00 60.65 58.22 3duh s ILE 284 Cb -0.11 -3.59 -0.04 0.00 -1.58 0.00 0.00 42.46 37.15 3duh s ILE 284 CO 0.11 -0.01 0.09 -0.44 -1.23 0.00 0.00 174.94 173.46 3duh s SER 285 N 1.67 5.95 -0.07 3.58 0.01 0.14 -1.46 113.70 123.51 3duh s SER 285 Ca 0.05 0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.64 3duh s SER 285 Cb -0.17 -1.83 0.02 0.00 0.21 0.00 0.00 66.02 64.25 3duh s SER 285 CO 0.09 0.38 -0.05 -0.69 0.41 0.00 0.00 173.24 173.37 3duh s VAL 286 N -1.02 0.71 0.37 3.43 1.01 0.12 0.85 120.40 125.86 3duh s VAL 286 Ca 0.16 -0.15 0.06 0.00 0.00 0.00 0.00 61.98 62.05 3duh s VAL 286 Cb -0.12 -0.75 -0.07 0.00 0.00 0.00 0.00 36.38 35.44 3duh s VAL 286 CO 0.05 0.29 0.02 0.00 0.00 0.00 0.00 175.10 175.46 3duh s ARG 287 N 1.38 1.82 0.09 2.72 1.70 -0.19 -0.79 118.95 125.68 3duh s ARG 287 Ca -0.03 -2.01 0.07 0.00 -0.47 0.00 0.00 55.73 53.28 3duh s ARG 287 Cb -0.13 -1.34 -0.03 0.00 -0.57 0.00 0.00 34.95 32.87 3duh s ARG 287 CO -0.03 -0.09 -0.17 0.00 -1.08 0.00 0.00 175.30 173.93 3duh s ALA 288 N -2.93 1.49 -0.12 7.88 0.00 -1.26 -0.83 121.76 125.99 3duh s ALA 288 Ca 0.35 -1.14 -0.13 0.00 0.00 0.00 0.00 51.96 51.04 3duh s ALA 288 Cb 0.09 -0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.08 3duh s ALA 288 CO 0.17 0.25 0.36 -1.14 0.00 0.00 0.00 175.76 175.40 3duh s GLN 289 N -1.89 0.47 0.04 0.00 0.74 -0.37 0.54 119.66 119.19 3duh s GLN 289 Ca 0.03 0.41 -0.34 0.00 0.05 0.00 0.00 55.36 55.51 3duh s GLN 289 Cb -0.10 0.23 -0.17 0.00 1.10 0.00 0.00 33.01 34.06 3duh s GLN 289 CO 0.03 -0.07 0.86 -3.47 -0.55 0.00 0.00 175.29 172.09 3duh n ASP 290 N 2.63 -0.25 -0.24 6.67 -0.08 -1.26 -0.35 116.55 123.67 3duh n ASP 290 Ca -0.14 1.04 -0.08 0.00 -1.51 0.00 0.00 54.79 54.10 3duh n ASP 290 Cb 0.57 -0.84 0.04 0.00 2.34 0.00 0.00 41.12 43.24 3duh n ASP 290 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 3duh h ARG 291 N 2.32 1.07 -0.00 -0.67 2.43 -1.45 -3.32 114.38 114.75 3duh h ARG 291 Ca -0.42 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 58.50 3duh h ARG 291 Cb 1.29 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 3duh h ARG 291 CO 0.57 0.95 -0.79 0.66 -1.51 0.00 0.00 179.97 179.84 3duh n TYR 292 N -4.29 0.00 -3.81 2.20 4.02 -1.26 -4.91 117.16 109.11 3duh n TYR 292 Ca 0.05 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.80 3duh n TYR 292 Cb 0.25 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.42 3duh n TYR 292 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 3duh s TYR 293 N -2.66 -0.03 -1.41 -0.72 6.14 -1.25 -5.06 117.35 112.36 3duh s TYR 293 Ca 0.09 0.17 -0.09 0.00 0.64 0.00 0.00 57.07 57.88 3duh s TYR 293 Cb 0.14 -0.09 0.07 0.00 0.42 0.00 0.00 41.96 42.50 3duh s TYR 293 CO 0.72 -0.07 2.37 0.45 0.64 0.00 0.00 175.55 179.66 3duh n SER 294 N 3.64 6.78 -2.27 4.32 2.88 -1.26 -4.49 113.62 123.21 3duh n SER 294 Ca -0.20 -2.95 0.00 0.00 -1.33 0.00 0.00 58.87 54.39 3duh n SER 294 Cb 0.55 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 3duh n SER 294 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3duh n SER 295 N 3.43 0.00 -4.76 -3.46 3.41 -1.26 -5.04 113.62 105.94 3duh n SER 295 Ca 0.59 -0.19 -0.39 0.00 -0.26 0.00 0.00 58.87 58.62 3duh n SER 295 Cb 0.30 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.18 3duh n SER 295 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3duh s SER 296 N -1.00 7.51 0.40 4.04 0.01 -0.83 -4.90 113.70 118.92 3duh s SER 296 Ca 0.00 1.84 -0.26 0.00 1.31 0.00 0.00 55.95 58.84 3duh s SER 296 Cb 0.00 -2.57 -0.09 0.00 0.21 0.00 0.00 66.02 63.57 3duh s SER 296 CO 0.00 0.12 1.23 0.26 0.41 0.00 0.00 173.24 175.26 3duh s TRP 297 N -1.28 2.97 1.09 2.43 0.52 -1.26 -4.22 118.94 119.19 3duh s TRP 297 Ca 0.42 1.49 -0.12 0.00 0.02 0.00 0.00 56.10 57.91 3duh s TRP 297 Cb -0.23 -3.52 0.25 0.00 -1.15 0.00 0.00 33.47 28.81 3duh s TRP 297 CO 0.29 -1.66 1.07 -1.54 0.02 0.00 0.00 176.95 175.13 3duh s SER 298 N -0.93 1.49 0.71 2.95 1.04 0.19 -4.80 113.70 114.34 3duh s SER 298 Ca 0.56 1.79 -0.16 0.00 0.48 0.00 0.00 55.95 58.62 3duh s SER 298 Cb -0.34 -2.43 0.03 0.00 0.10 0.00 0.00 66.02 63.37 3duh s SER 298 CO 0.44 -3.93 1.26 -0.62 0.98 0.00 0.00 173.24 171.37 3duh n GLU 299 N -4.76 0.75 -1.79 4.02 -0.58 -1.26 -4.58 120.64 112.44 3duh n GLU 299 Ca 0.06 0.32 -0.41 0.00 -0.42 0.00 0.00 57.16 56.71 3duh n GLU 299 Cb 0.53 -2.50 -0.01 0.00 -0.57 0.00 0.00 31.44 28.89 3duh n GLU 299 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 3duh s TRP 300 N -1.68 2.73 -0.13 -0.32 0.52 -1.26 -4.33 118.94 114.48 3duh s TRP 300 Ca 0.79 0.85 -0.07 0.00 0.02 0.00 0.00 56.10 57.69 3duh s TRP 300 Cb -0.34 -4.06 -0.04 0.00 -1.15 0.00 0.00 33.47 27.88 3duh s TRP 300 CO 0.44 -3.48 0.14 0.00 0.02 0.00 0.00 176.95 174.08 3duh s ALA 301 N -0.18 3.87 0.07 0.98 0.00 0.03 -4.94 121.76 121.58 3duh s ALA 301 Ca 0.61 -0.64 -0.08 0.00 0.00 0.00 0.00 51.96 51.85 3duh s ALA 301 Cb -0.47 -1.99 -0.00 0.00 0.00 0.00 0.00 23.12 20.66 3duh s ALA 301 CO 0.50 0.59 0.18 -1.54 0.00 0.00 0.00 175.76 175.48 3duh s SER 302 N -0.93 0.11 -0.15 0.00 1.04 -1.26 0.11 113.70 112.62 3duh s SER 302 Ca 0.15 -0.56 -0.09 0.00 0.48 0.00 0.00 55.95 55.93 3duh s SER 302 Cb -0.12 0.31 0.05 0.00 0.10 0.00 0.00 66.02 66.36 3duh s SER 302 CO 0.04 -0.65 0.36 0.54 0.98 0.00 0.00 173.24 174.51 3duh s VAL 303 N -3.33 -0.03 0.40 5.02 0.11 -0.54 -4.99 120.40 117.05 3duh s VAL 303 Ca 0.01 0.10 -0.25 0.00 -2.93 0.00 0.00 61.98 58.90 3duh s VAL 303 Cb 0.03 -0.54 -0.08 0.00 -1.53 0.00 0.00 36.38 34.25 3duh s VAL 303 CO -0.08 0.04 1.22 -2.84 -3.33 0.00 0.00 175.10 170.11 3duh s PRO 304 N 1.22 4.00 0.62 1.54 0.02 -1.26 -0.16 135.00 140.98 3duh s PRO 304 Ca -0.08 1.96 0.24 0.00 0.02 0.00 0.00 61.00 63.14 3duh s PRO 304 Cb -0.08 -2.70 1.03 0.00 0.02 0.00 0.00 34.50 32.77 3duh s PRO 304 CO -0.10 -0.40 1.50 0.00 -0.33 0.00 0.00 177.00 177.67