#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hwf n LEU 2 N 0.00 2.27 -4.57 0.99 4.77 -1.26 -4.82 117.00 114.38 2hwf n LEU 2 Ca 0.00 0.15 -0.45 0.00 -0.03 0.00 0.00 56.01 55.68 2hwf n LEU 2 Cb 0.00 -1.37 -0.04 0.00 -2.33 0.00 0.00 43.42 39.68 2hwf n LEU 2 CO 0.00 -0.90 1.83 -2.65 -1.33 0.00 0.00 177.39 174.34 2hwf n PRO 3 N 8.53 1.83 -4.41 3.23 -0.02 -1.26 -4.90 135.00 137.99 2hwf n PRO 3 Ca 0.40 0.51 -0.23 0.00 -2.02 0.00 0.00 63.50 62.16 2hwf n PRO 3 Cb 0.33 -3.06 -0.11 0.00 -0.02 0.00 0.00 33.50 30.64 2hwf n PRO 3 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2hwf s VAL 4 N 7.87 2.21 -0.10 -1.45 0.11 -1.26 -5.13 120.40 122.65 2hwf s VAL 4 Ca 1.02 -2.20 0.01 0.00 -2.93 0.00 0.00 61.98 57.89 2hwf s VAL 4 Cb -0.45 -2.13 0.02 0.00 -1.53 0.00 0.00 36.38 32.28 2hwf s VAL 4 CO 0.39 -0.35 -0.13 -0.47 -3.33 0.00 0.00 175.10 171.21 2hwf s TYR 5 N -2.29 1.75 -0.27 1.54 6.14 -1.26 -5.11 117.35 117.85 2hwf s TYR 5 Ca 0.24 -0.81 -0.22 0.00 0.64 0.00 0.00 57.07 56.92 2hwf s TYR 5 Cb -0.05 -1.31 -0.01 0.00 0.42 0.00 0.00 41.96 41.01 2hwf s TYR 5 CO 0.11 -0.45 0.72 0.42 0.64 0.00 0.00 175.55 176.99 2hwf s ILE 6 N 1.09 4.90 0.26 3.14 1.01 -1.26 -5.04 121.20 125.29 2hwf s ILE 6 Ca -0.05 1.25 -0.15 0.00 0.00 0.00 0.00 60.65 61.69 2hwf s ILE 6 Cb -0.14 -4.04 -0.08 0.00 0.01 0.00 0.00 42.46 38.20 2hwf s ILE 6 CO -0.02 -0.08 0.68 0.28 0.00 0.00 0.00 174.94 175.80 2hwf s THR 7 N 2.71 4.71 -0.15 2.92 -1.32 -1.26 -5.01 115.64 118.24 2hwf s THR 7 Ca 0.30 0.95 -0.29 0.00 -1.21 0.00 0.00 61.69 61.44 2hwf s THR 7 Cb -0.15 -3.69 -0.06 0.00 -1.51 0.00 0.00 72.50 67.09 2hwf s THR 7 CO 0.09 -0.01 2.12 -2.84 -2.21 0.00 0.00 174.62 171.78 2hwf s PRO 8 N -2.55 3.43 0.00 7.08 0.02 -1.26 -1.31 135.00 140.41 2hwf s PRO 8 Ca 0.48 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.66 2hwf s PRO 8 Cb -0.13 -4.30 0.00 0.00 0.02 0.00 0.00 34.50 30.09 2hwf s PRO 8 CO 0.19 -1.76 0.00 0.41 -0.33 0.00 0.00 177.00 175.51 2hwf n GLY 9 N 5.38 0.90 3.72 0.52 0.00 -1.26 -5.11 105.19 109.34 2hwf n GLY 9 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 2hwf n GLY 9 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2hwf s SER 10 N -0.29 6.37 0.00 1.61 0.15 -0.43 -1.78 113.70 119.34 2hwf s SER 10 Ca 0.00 2.88 0.00 0.00 0.70 0.00 0.00 55.95 59.53 2hwf s SER 10 Cb 0.00 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2hwf s SER 10 CO 0.00 -0.97 0.00 0.61 1.20 0.00 0.00 173.24 174.08 2hwf n GLY 11 N 3.89 2.40 1.79 9.45 0.00 -1.26 -5.02 105.19 116.45 2hwf n GLY 11 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 2hwf n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hwf n GLN 12 N -2.00 -2.10 -3.72 1.61 10.64 -0.74 -5.08 117.38 115.99 2hwf n GLN 12 Ca 0.00 -0.89 -0.13 0.00 -1.83 0.00 0.00 57.00 54.15 2hwf n GLN 12 Cb 0.00 -0.84 -0.13 0.00 -0.86 0.00 0.00 30.24 28.41 2hwf n GLN 12 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.06 175.35 2hwf s PHE 13 N -2.01 -0.33 -0.06 2.61 5.36 -1.26 -5.15 117.98 117.14 2hwf s PHE 13 Ca 0.36 0.78 0.02 0.00 -0.96 0.00 0.00 56.93 57.14 2hwf s PHE 13 Cb -0.04 0.02 0.01 0.00 -0.34 0.00 0.00 43.02 42.68 2hwf s PHE 13 CO 0.28 -0.24 -0.11 1.41 -1.46 0.00 0.00 175.22 175.09 2hwf s MET 14 N 1.42 1.59 0.00 10.12 -2.45 -1.26 -4.97 119.30 123.76 2hwf s MET 14 Ca -0.08 -0.37 0.15 0.00 -1.25 0.00 0.00 55.69 54.14 2hwf s MET 14 Cb -0.11 -1.34 0.87 0.00 1.25 0.00 0.00 34.83 35.50 2hwf s MET 14 CO -0.08 0.01 1.30 -2.37 1.05 0.00 0.00 175.02 174.92 2hwf n THR 15 N 3.86 0.00 -2.57 10.11 5.66 -1.26 -3.16 114.28 126.92 2hwf n THR 15 Ca -0.23 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.64 2hwf n THR 15 Cb 0.52 -0.62 0.03 0.00 -1.55 0.00 0.00 70.33 68.70 2hwf n THR 15 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 2hwf n THR 16 N -0.90 1.58 -4.29 1.09 5.66 -1.26 -5.09 114.28 111.07 2hwf n THR 16 Ca 0.11 -3.61 -0.21 0.00 -3.05 0.00 0.00 64.05 57.29 2hwf n THR 16 Cb 0.05 0.14 -0.13 0.00 -1.55 0.00 0.00 70.33 68.84 2hwf n THR 16 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 2hwf s ASP 17 N -3.45 2.05 -0.45 1.09 1.47 -1.19 -5.08 116.67 111.11 2hwf s ASP 17 Ca 0.35 -0.60 -0.14 0.00 1.18 0.00 0.00 52.55 53.34 2hwf s ASP 17 Cb 0.41 -0.11 0.07 0.00 -0.34 0.00 0.00 42.92 42.95 2hwf s ASP 17 CO -0.03 0.01 0.35 -0.62 0.68 0.00 0.00 175.17 175.56 2hwf s ASP 18 N -1.64 6.00 0.00 2.11 -1.08 -1.26 -5.00 116.67 115.80 2hwf s ASP 18 Ca 0.02 -1.35 -0.14 0.00 -0.52 0.00 0.00 52.55 50.56 2hwf s ASP 18 Cb -0.10 -2.13 0.02 0.00 -1.46 0.00 0.00 42.92 39.26 2hwf s ASP 18 CO 0.03 -0.61 0.30 -0.04 0.52 0.00 0.00 175.17 175.37 2hwf s MET 19 N 1.58 0.69 0.38 4.34 -1.94 -1.26 -5.17 119.30 117.92 2hwf s MET 19 Ca 0.04 -0.28 -0.10 0.00 -1.71 0.00 0.00 55.69 53.64 2hwf s MET 19 Cb -0.24 0.30 -0.06 0.00 2.01 0.00 0.00 34.83 36.84 2hwf s MET 19 CO 0.06 -0.20 0.72 -0.65 -0.01 0.00 0.00 175.02 174.94 2hwf s GLN 20 N -1.62 3.76 -0.04 2.03 -0.21 -1.26 -5.10 119.66 117.22 2hwf s GLN 20 Ca -0.12 0.39 -0.06 0.00 0.02 0.00 0.00 55.36 55.60 2hwf s GLN 20 Cb -0.04 -2.44 0.01 0.00 1.00 0.00 0.00 33.01 31.53 2hwf s GLN 20 CO 0.02 0.03 0.15 -1.12 -2.12 0.00 0.00 175.29 172.25 2hwf s SER 21 N -3.10 -0.11 0.46 5.90 0.01 -1.26 -5.13 113.70 110.47 2hwf s SER 21 Ca 0.50 0.17 -0.24 0.00 1.31 0.00 0.00 55.95 57.68 2hwf s SER 21 Cb -0.10 0.29 -0.08 0.00 0.21 0.00 0.00 66.02 66.33 2hwf s SER 21 CO 0.30 -0.14 1.32 -2.65 0.41 0.00 0.00 173.24 172.48 2hwf n PRO 22 N 2.57 1.94 0.00 12.44 -0.02 -1.26 -4.96 135.00 145.70 2hwf n PRO 22 Ca -0.15 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2hwf n PRO 22 Cb 0.58 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 2hwf n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hwf n ALA 24 N -2.73 0.40 -3.36 0.00 0.00 -1.26 -4.95 120.51 108.61 2hwf n ALA 24 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 2hwf n ALA 24 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 2hwf n ALA 24 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2hwf s LEU 25 N -0.44 -0.19 0.81 0.00 0.05 -1.26 -5.12 118.68 112.52 2hwf s LEU 25 Ca 0.00 -1.29 -0.13 0.00 0.05 0.00 0.00 54.13 52.76 2hwf s LEU 25 Cb 0.00 0.63 0.08 0.00 -2.05 0.00 0.00 46.19 44.85 2hwf s LEU 25 CO 0.00 -0.29 1.20 -2.16 -0.55 0.00 0.00 176.35 174.55 2hwf s PRO 26 N 1.73 1.64 -1.74 1.48 0.04 -1.26 -3.46 135.00 133.44 2hwf s PRO 26 Ca 0.15 1.74 -0.01 0.00 0.04 0.00 0.00 61.00 62.92 2hwf s PRO 26 Cb -0.14 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2hwf s PRO 26 CO -0.12 -2.21 0.08 0.91 0.04 0.00 0.00 177.00 175.70 2hwf n TRP 27 N -3.31 -1.14 -3.21 0.56 8.01 -1.26 -4.94 117.44 112.14 2hwf n TRP 27 Ca 0.13 0.07 -0.43 0.00 -1.31 0.00 0.00 57.50 55.96 2hwf n TRP 27 Cb 0.51 -4.00 -0.07 0.00 -2.01 0.00 0.00 31.31 25.73 2hwf n TRP 27 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.69 176.21 2hwf s TYR 28 N -3.05 3.10 -0.82 -5.99 5.04 -1.23 -4.98 117.35 109.43 2hwf s TYR 28 Ca 0.04 -0.39 -0.22 0.00 -2.44 0.00 0.00 57.07 54.05 2hwf s TYR 28 Cb -0.02 -3.27 0.07 0.00 0.35 0.00 0.00 41.96 39.10 2hwf s TYR 28 CO 0.05 -0.88 1.17 -1.58 -1.34 0.00 0.00 175.55 172.97 2hwf s HIS 29 N 2.47 2.68 0.73 4.97 5.65 -1.26 -4.99 115.29 125.54 2hwf s HIS 29 Ca 0.15 -0.73 -0.16 0.00 0.25 0.00 0.00 55.06 54.58 2hwf s HIS 29 Cb -0.18 -4.44 0.03 0.00 -1.18 0.00 0.00 32.58 26.82 2hwf s HIS 29 CO 0.14 -1.75 1.14 -2.30 -0.65 0.00 0.00 174.74 171.32 2hwf n PRO 30 N 7.97 0.56 -1.51 2.88 -0.01 -1.26 -4.86 135.00 138.77 2hwf n PRO 30 Ca 0.12 0.25 -0.46 0.00 -0.01 0.00 0.00 63.50 63.41 2hwf n PRO 30 Cb 0.48 -2.39 -0.02 0.00 -0.01 0.00 0.00 33.50 31.56 2hwf n PRO 30 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 175.50 173.12 2hwf n THR 31 N -2.63 1.98 -0.62 3.45 5.66 -1.26 -4.86 114.28 116.01 2hwf n THR 31 Ca 0.14 -0.50 -0.29 0.00 -3.05 0.00 0.00 64.05 60.35 2hwf n THR 31 Cb 0.49 -0.58 0.22 0.00 -1.55 0.00 0.00 70.33 68.92 2hwf n THR 31 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 2hwf s LYS 32 N -1.34 -0.33 -0.60 1.09 0.00 -1.26 -4.93 119.74 112.38 2hwf s LYS 32 Ca 0.61 1.03 -0.07 0.00 0.00 0.00 0.00 55.97 57.54 2hwf s LYS 32 Cb -0.79 -1.61 0.16 0.00 0.00 0.00 0.00 37.83 35.59 2hwf s LYS 32 CO 0.58 -3.38 0.45 -2.00 0.00 0.00 0.00 175.35 171.00 2hwf s GLU 33 N -4.53 2.67 1.00 1.78 2.12 -1.26 -5.07 118.70 115.41 2hwf s GLU 33 Ca 0.68 -2.24 -0.12 0.00 0.36 0.00 0.00 54.97 53.65 2hwf s GLU 33 Cb -0.24 -3.90 0.19 0.00 0.26 0.00 0.00 34.13 30.44 2hwf s GLU 33 CO 0.62 -1.19 1.08 0.96 -0.54 0.00 0.00 175.26 176.19 2hwf s ILE 34 N 0.49 2.26 0.16 -3.70 -4.36 -1.26 -4.98 121.20 109.82 2hwf s ILE 34 Ca 0.13 0.09 -0.30 0.00 -0.26 0.00 0.00 60.65 60.30 2hwf s ILE 34 Cb -0.20 -2.39 -0.08 0.00 1.25 0.00 0.00 42.46 41.03 2hwf s ILE 34 CO -0.04 -0.11 1.31 -0.55 0.24 0.00 0.00 174.94 175.79 2hwf s SER 35 N -3.08 6.91 -0.08 4.36 0.15 -1.26 -5.04 113.70 115.67 2hwf s SER 35 Ca 0.66 2.33 -0.03 0.00 0.70 0.00 0.00 55.95 59.60 2hwf s SER 35 Cb -0.21 -2.60 0.04 0.00 -1.71 0.00 0.00 66.02 61.55 2hwf s SER 35 CO 0.59 -0.54 0.13 -0.63 1.20 0.00 0.00 173.24 173.99 2hwf s ILE 36 N 0.47 -0.21 -0.16 6.45 1.01 -1.26 -5.12 121.20 122.38 2hwf s ILE 36 Ca 0.59 0.35 -0.29 0.00 0.00 0.00 0.00 60.65 61.30 2hwf s ILE 36 Cb -0.36 -0.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.80 2hwf s ILE 36 CO 0.35 0.13 1.77 -2.16 0.00 0.00 0.00 174.94 175.03 2hwf s PRO 37 N 2.25 3.79 0.00 2.79 0.04 -1.26 -4.29 135.00 138.32 2hwf s PRO 37 Ca 0.04 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.01 2hwf s PRO 37 Cb -0.12 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.32 2hwf s PRO 37 CO -0.05 -1.31 0.00 0.41 0.04 0.00 0.00 177.00 176.09 2hwf n GLY 38 N 4.75 -1.51 2.99 0.56 0.00 -1.26 -5.12 105.19 105.59 2hwf n GLY 38 Ca 0.20 -0.67 -0.17 0.00 0.00 0.00 0.00 46.02 45.39 2hwf n GLY 38 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2hwf s GLU 39 N -1.15 0.58 0.31 1.61 -1.05 -1.26 -5.17 118.70 112.57 2hwf s GLU 39 Ca 0.00 -0.26 0.05 0.00 -0.15 0.00 0.00 54.97 54.61 2hwf s GLU 39 Cb 0.00 -0.56 -0.02 0.00 -0.44 0.00 0.00 34.13 33.12 2hwf s GLU 39 CO 0.00 0.15 0.45 0.08 0.95 0.00 0.00 175.26 176.89 2hwf s VAL 40 N -0.18 4.55 0.00 1.83 1.01 -1.26 -5.01 120.40 121.34 2hwf s VAL 40 Ca 0.03 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.07 2hwf s VAL 40 Cb -0.03 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.75 2hwf s VAL 40 CO -0.00 -0.25 0.00 0.29 0.00 0.00 0.00 175.10 175.14 2hwf n LYS 41 N -1.59 0.88 -3.66 2.72 5.02 -1.26 -5.09 118.16 115.18 2hwf n LYS 41 Ca -0.03 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.19 2hwf n LYS 41 Cb 0.58 -0.07 -0.07 0.00 -0.02 0.00 0.00 35.03 35.44 2hwf n LYS 41 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2hwf s ASN 42 N 0.00 -0.79 0.31 4.39 2.47 -1.26 -5.00 114.94 115.05 2hwf s ASN 42 Ca 0.00 1.32 0.05 0.00 0.42 0.00 0.00 52.86 54.65 2hwf s ASN 42 Cb 0.00 1.48 0.83 0.00 -1.45 0.00 0.00 41.25 42.11 2hwf s ASN 42 CO 0.00 -0.22 1.61 -0.07 -3.72 0.00 0.00 177.10 174.70 2hwf h LEU 43 N 7.47 -0.08 -0.78 3.21 3.38 -2.02 0.76 115.31 127.24 2hwf h LEU 43 Ca -0.26 0.23 0.09 0.00 0.09 0.00 0.00 57.88 58.03 2hwf h LEU 43 Cb 1.17 0.33 -0.11 0.00 0.09 0.00 0.00 40.66 42.14 2hwf h LEU 43 CO 0.17 -0.26 -0.40 0.00 0.09 0.00 0.00 178.44 178.04 2hwf n ILE 44 N -5.31 -0.48 -0.34 1.22 0.13 -1.26 0.02 119.36 113.33 2hwf n ILE 44 Ca 0.25 1.87 0.02 0.00 -1.10 0.00 0.00 62.75 63.79 2hwf n ILE 44 Cb 0.80 -2.38 0.08 0.00 -0.84 0.00 0.00 39.64 37.30 2hwf n ILE 44 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 2hwf n GLU 45 N -5.05 -0.16 0.26 9.51 1.02 0.26 0.76 120.64 127.23 2hwf n GLU 45 Ca 0.04 1.42 0.11 0.00 -0.02 0.00 0.00 57.16 58.71 2hwf n GLU 45 Cb 0.25 -2.11 0.69 0.00 -0.02 0.00 0.00 31.44 30.25 2hwf n GLU 45 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 2hwf h MET 46 N 0.00 0.00 0.00 3.49 2.86 -0.55 -1.44 114.93 119.29 2hwf h MET 46 Ca 0.37 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.01 2hwf h MET 46 Cb 0.60 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.26 2hwf h MET 46 CO -0.93 0.11 -0.06 0.00 1.06 0.00 0.00 176.91 177.09 2hwf n GLN 48 N -2.94 1.87 -3.62 0.00 6.02 -0.47 -0.54 117.38 117.70 2hwf n GLN 48 Ca 0.04 -1.38 -0.37 0.00 -0.01 0.00 0.00 57.00 55.28 2hwf n GLN 48 Cb 0.52 -1.47 -0.09 0.00 1.02 0.00 0.00 30.24 30.21 2hwf n GLN 48 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2hwf s VAL 49 N -2.08 5.34 -0.11 5.09 1.01 -1.22 -4.37 120.40 124.05 2hwf s VAL 49 Ca 0.31 0.26 -0.30 0.00 0.00 0.00 0.00 61.98 62.25 2hwf s VAL 49 Cb 0.20 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 2hwf s VAL 49 CO 0.35 0.33 1.16 1.51 0.00 0.00 0.00 175.10 178.45 2hwf s ASP 50 N 1.06 7.07 0.07 3.32 1.47 -1.26 -4.60 116.67 123.79 2hwf s ASP 50 Ca 0.09 1.68 0.02 0.00 1.18 0.00 0.00 52.55 55.53 2hwf s ASP 50 Cb -0.14 -2.55 -0.04 0.00 -0.34 0.00 0.00 42.92 39.85 2hwf s ASP 50 CO 0.05 -0.61 0.12 0.42 0.68 0.00 0.00 175.17 175.83 2hwf s THR 51 N 2.58 4.81 0.42 2.11 -4.23 -1.23 -4.93 115.64 115.17 2hwf s THR 51 Ca 0.53 -0.62 -0.23 0.00 -1.18 0.00 0.00 61.69 60.19 2hwf s THR 51 Cb -0.22 -3.32 -0.09 0.00 1.34 0.00 0.00 72.50 70.22 2hwf s THR 51 CO 0.18 0.15 1.02 -0.76 -0.54 0.00 0.00 174.62 174.67 2hwf s LEU 52 N -2.37 4.05 -0.21 4.79 1.43 -1.26 -2.85 118.68 122.26 2hwf s LEU 52 Ca 0.30 1.94 -0.05 0.00 -1.03 0.00 0.00 54.13 55.30 2hwf s LEU 52 Cb -0.12 -4.32 -0.02 0.00 0.03 0.00 0.00 46.19 41.76 2hwf s LEU 52 CO 0.23 -0.51 0.01 -0.63 0.23 0.00 0.00 176.35 175.68 2hwf s ILE 53 N -1.81 3.91 -0.00 -0.59 1.01 -0.33 -4.76 121.20 118.63 2hwf s ILE 53 Ca 0.60 -0.32 -0.30 0.00 0.00 0.00 0.00 60.65 60.63 2hwf s ILE 53 Cb -0.18 -2.78 -0.07 0.00 0.01 0.00 0.00 42.46 39.44 2hwf s ILE 53 CO 0.23 0.41 1.66 -2.16 0.00 0.00 0.00 174.94 175.08 2hwf s PRO 54 N 1.22 4.19 0.00 2.79 0.04 -1.26 -4.57 135.00 137.41 2hwf s PRO 54 Ca 0.03 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.33 2hwf s PRO 54 Cb -0.15 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.54 2hwf s PRO 54 CO 0.01 -0.80 0.00 1.55 0.04 0.00 0.00 177.00 177.80 2hwf n VAL 55 N 5.19 0.00 -0.75 -0.36 3.14 0.10 -4.59 118.33 121.07 2hwf n VAL 55 Ca 0.17 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.48 2hwf n VAL 55 Cb 0.42 -0.01 -0.10 0.00 -1.06 0.00 0.00 33.84 33.09 2hwf n VAL 55 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2hwf n ASN 56 N -0.44 4.80 -0.97 6.55 4.05 -1.18 -4.53 115.26 123.54 2hwf n ASN 56 Ca 0.00 -2.35 0.00 0.00 0.45 0.00 0.00 54.58 52.68 2hwf n ASN 56 Cb 0.00 -1.20 0.00 0.00 1.23 0.00 0.00 39.78 39.82 2hwf n ASN 56 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 2hwf n ASN 57 N 2.19 0.00 -4.33 1.20 4.05 -1.26 -4.29 115.26 112.83 2hwf n ASN 57 Ca 0.25 0.00 -0.34 0.00 0.45 0.00 0.00 54.58 54.95 2hwf n ASN 57 Cb 0.70 0.00 -0.14 0.00 1.23 0.00 0.00 39.78 41.57 2hwf n ASN 57 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2hwf s VAL 58 N 0.34 3.10 0.00 3.44 1.01 -1.26 -4.95 120.40 122.08 2hwf s VAL 58 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.36 2hwf s VAL 58 Cb 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 34.04 2hwf s VAL 58 CO 0.00 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.20 2hwf n GLY 59 N 4.06 0.17 0.23 4.51 0.00 -1.26 -0.71 105.19 112.18 2hwf n GLY 59 Ca -0.18 0.07 0.06 0.00 0.00 0.00 0.00 46.02 45.97 2hwf n GLY 59 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2hwf h ASN 60 N 0.00 0.00 -0.32 1.61 -0.73 -1.97 -3.14 115.58 111.02 2hwf h ASN 60 Ca 0.00 0.00 0.05 0.00 1.87 0.00 0.00 56.30 58.22 2hwf h ASN 60 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.54 2hwf h ASN 60 CO 0.00 0.18 0.04 0.78 -0.37 0.00 0.00 177.43 178.06 2hwf h ASN 61 N 0.00 -0.04 -0.95 1.15 -0.26 -1.24 -3.29 115.58 110.96 2hwf h ASN 61 Ca -0.00 0.06 0.11 0.00 -0.56 0.00 0.00 56.30 55.90 2hwf h ASN 61 Cb 0.33 0.09 -0.13 0.00 -1.06 0.00 0.00 38.32 37.55 2hwf h ASN 61 CO 0.02 0.01 -0.50 0.52 -1.06 0.00 0.00 177.43 176.43 2hwf n VAL 62 N -5.12 -0.60 0.86 2.81 0.31 -1.13 -0.96 118.33 114.50 2hwf n VAL 62 Ca 0.01 2.27 0.08 0.00 -0.01 0.00 0.00 64.34 66.69 2hwf n VAL 62 Cb 0.15 -2.87 0.44 0.00 -0.91 0.00 0.00 33.84 30.65 2hwf n VAL 62 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2hwf n GLY 63 N -1.31 -0.75 0.00 2.92 0.00 -1.24 -4.77 105.19 100.05 2hwf n GLY 63 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2hwf n GLY 63 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2hwf n ASN 64 N -1.21 0.00 -0.14 1.61 2.85 -0.13 -5.08 115.26 113.16 2hwf n ASN 64 Ca 0.09 0.00 -0.28 0.00 -0.11 0.00 0.00 54.58 54.28 2hwf n ASN 64 Cb 0.11 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.03 2hwf n ASN 64 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 2hwf n VAL 65 N 0.00 1.52 -0.16 3.44 0.24 -1.26 -4.43 118.33 117.69 2hwf n VAL 65 Ca 0.00 -0.42 0.14 0.00 -2.04 0.00 0.00 64.34 62.02 2hwf n VAL 65 Cb 0.00 -1.81 0.23 0.00 -1.47 0.00 0.00 33.84 30.79 2hwf n VAL 65 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2hwf n SER 66 N -4.11 0.08 0.00 -1.34 3.41 -1.26 -0.28 113.62 110.12 2hwf n SER 66 Ca -0.54 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 2hwf n SER 66 Cb 0.90 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 2hwf n SER 66 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 2hwf n MET 67 N -3.36 0.00 -0.00 4.33 0.00 -1.25 0.34 117.12 117.18 2hwf n MET 67 Ca 0.14 0.05 0.01 0.00 0.00 0.00 0.00 57.70 57.89 2hwf n MET 67 Cb 0.53 -1.68 -0.02 0.00 0.00 0.00 0.00 33.22 32.06 2hwf n MET 67 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2hwf n TYR 68 N -0.83 0.00 -3.93 1.12 4.01 0.62 -0.72 117.16 117.42 2hwf n TYR 68 Ca 0.00 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.53 2hwf n TYR 68 Cb 0.18 -0.06 -0.02 0.00 -0.31 0.00 0.00 39.34 39.13 2hwf n TYR 68 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2hwf s THR 69 N -2.14 4.95 -0.21 -0.72 -4.23 0.15 -4.10 115.64 109.34 2hwf s THR 69 Ca -0.01 -1.07 -0.05 0.00 -1.18 0.00 0.00 61.69 59.39 2hwf s THR 69 Cb 0.01 -3.72 0.07 0.00 1.34 0.00 0.00 72.50 70.21 2hwf s THR 69 CO 0.09 -0.31 0.10 -0.69 -0.54 0.00 0.00 174.62 173.27 2hwf s VAL 70 N -2.04 -0.09 -0.02 2.29 1.01 -0.90 -4.33 120.40 116.33 2hwf s VAL 70 Ca 0.35 -0.35 -0.23 0.00 0.00 0.00 0.00 61.98 61.75 2hwf s VAL 70 Cb -0.09 -0.70 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 2hwf s VAL 70 CO 0.28 -0.42 0.69 0.00 0.00 0.00 0.00 175.10 175.65 2hwf s GLN 71 N 2.13 4.42 -0.24 2.72 -2.07 -1.26 -1.46 119.66 123.90 2hwf s GLN 71 Ca 0.04 0.89 -0.19 0.00 -1.82 0.00 0.00 55.36 54.29 2hwf s GLN 71 Cb -0.16 -3.40 -0.03 0.00 -1.09 0.00 0.00 33.01 28.34 2hwf s GLN 71 CO -0.18 0.21 0.56 -0.51 -1.32 0.00 0.00 175.29 174.04 2hwf s LEU 72 N 0.30 4.08 0.00 2.60 1.02 0.37 -4.93 118.68 122.12 2hwf s LEU 72 Ca 0.36 0.62 0.00 0.00 0.02 0.00 0.00 54.13 55.13 2hwf s LEU 72 Cb -0.19 -2.74 0.00 0.00 0.02 0.00 0.00 46.19 43.28 2hwf s LEU 72 CO 0.19 -0.29 0.00 0.61 0.02 0.00 0.00 176.35 176.88 2hwf n GLY 73 N 4.20 1.36 0.00 -3.19 0.00 -1.26 -1.28 105.19 105.01 2hwf n GLY 73 Ca -0.03 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.06 2hwf n GLY 73 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hwf n ASN 74 N 0.00 0.00 -1.95 1.61 4.13 -1.26 -4.75 115.26 113.04 2hwf n ASN 74 Ca 0.00 0.18 -0.00 0.00 1.68 0.00 0.00 54.58 56.44 2hwf n ASN 74 Cb 0.00 0.00 -0.00 0.00 -1.54 0.00 0.00 39.78 38.24 2hwf n ASN 74 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 2hwf n GLN 75 N -0.27 -1.33 -0.09 3.52 -0.06 -1.26 -4.77 117.38 113.13 2hwf n GLN 75 Ca 0.00 1.37 -0.10 0.00 -2.00 0.00 0.00 57.00 56.27 2hwf n GLN 75 Cb 0.00 -2.63 -0.03 0.00 -4.06 0.00 0.00 30.24 23.53 2hwf n GLN 75 CO 0.00 0.00 0.00 1.79 -0.20 0.00 0.00 177.06 178.65 2hwf h THR 76 N 1.15 1.18 -2.62 1.69 1.35 -2.04 -3.42 112.91 110.20 2hwf h THR 76 Ca -0.01 -0.54 -0.23 0.00 -0.55 0.00 0.00 66.41 65.08 2hwf h THR 76 Cb 0.02 1.01 0.11 0.00 -1.73 0.00 0.00 68.15 67.56 2hwf h THR 76 CO 0.04 0.18 0.09 0.61 -0.25 0.00 0.00 175.52 176.19 2hwf n GLY 77 N -0.73 -2.47 3.14 5.82 0.00 -1.26 -5.08 105.19 104.61 2hwf n GLY 77 Ca -0.02 -1.50 -0.09 0.00 0.00 0.00 0.00 46.02 44.40 2hwf n GLY 77 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2hwf s MET 78 N -4.44 0.77 -2.07 1.61 1.75 -1.26 -4.74 119.30 110.92 2hwf s MET 78 Ca 0.41 -1.31 0.00 0.00 -1.25 0.00 0.00 55.69 53.54 2hwf s MET 78 Cb -0.04 -0.03 0.00 0.00 2.84 0.00 0.00 34.83 37.61 2hwf s MET 78 CO 0.31 -0.07 0.00 0.00 -0.65 0.00 0.00 175.02 174.61 2hwf n ALA 79 N 0.00 -0.32 -1.39 4.11 0.00 -1.26 -4.94 120.51 116.71 2hwf n ALA 79 Ca -0.12 0.31 -0.30 0.00 0.00 0.00 0.00 53.44 53.33 2hwf n ALA 79 Cb 0.61 -1.96 0.11 0.00 0.00 0.00 0.00 19.45 18.21 2hwf n ALA 79 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2hwf s GLN 80 N -3.74 1.72 0.09 0.00 2.00 -1.26 -4.70 119.66 113.77 2hwf s GLN 80 Ca 0.00 0.74 -0.11 0.00 -2.00 0.00 0.00 55.36 53.99 2hwf s GLN 80 Cb 0.00 -1.87 -0.06 0.00 0.80 0.00 0.00 33.01 31.88 2hwf s GLN 80 CO 0.00 -1.90 0.43 0.21 -0.50 0.00 0.00 175.29 173.53 2hwf s LYS 81 N -5.05 3.80 0.00 1.67 2.20 -1.26 -1.65 119.74 119.45 2hwf s LYS 81 Ca 0.62 0.23 0.00 0.00 -0.36 0.00 0.00 55.97 56.46 2hwf s LYS 81 Cb -0.16 -2.98 0.00 0.00 -1.51 0.00 0.00 37.83 33.18 2hwf s LYS 81 CO 0.55 0.54 0.00 0.28 -0.36 0.00 0.00 175.35 176.37 2hwf n VAL 82 N 0.88 0.00 -4.20 4.02 0.31 0.32 -4.94 118.33 114.72 2hwf n VAL 82 Ca -0.07 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.14 2hwf n VAL 82 Cb 0.52 -0.29 -0.04 0.00 -0.91 0.00 0.00 33.84 33.12 2hwf n VAL 82 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 2hwf n PHE 83 N 0.00 -0.23 -3.53 3.52 -1.74 -1.17 -4.95 117.46 109.36 2hwf n PHE 83 Ca 0.00 -1.49 -0.14 0.00 -0.56 0.00 0.00 57.45 55.26 2hwf n PHE 83 Cb 0.00 0.09 -0.05 0.00 1.52 0.00 0.00 39.48 41.05 2hwf n PHE 83 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 2hwf s SER 84 N -2.31 -0.50 0.16 5.98 1.04 -1.26 -0.18 113.70 116.63 2hwf s SER 84 Ca 0.17 0.20 -0.14 0.00 0.48 0.00 0.00 55.95 56.66 2hwf s SER 84 Cb 0.01 0.53 0.02 0.00 0.10 0.00 0.00 66.02 66.67 2hwf s SER 84 CO 0.12 -0.77 0.41 0.27 0.98 0.00 0.00 173.24 174.25 2hwf s ILE 85 N -2.63 0.05 0.05 -1.02 -4.36 -1.03 -5.01 121.20 107.25 2hwf s ILE 85 Ca -0.04 -0.92 0.04 0.00 -0.26 0.00 0.00 60.65 59.47 2hwf s ILE 85 Cb -0.00 -1.54 -0.04 0.00 1.25 0.00 0.00 42.46 42.13 2hwf s ILE 85 CO -0.03 -0.24 -0.05 -1.59 0.24 0.00 0.00 174.94 173.27 2hwf s LYS 86 N -3.88 2.48 0.56 0.37 -2.85 -1.26 -2.33 119.74 112.83 2hwf s LYS 86 Ca 0.10 -0.81 0.33 0.00 -1.00 0.00 0.00 55.97 54.58 2hwf s LYS 86 Cb 0.01 -2.49 1.62 0.00 -2.06 0.00 0.00 37.83 34.91 2hwf s LYS 86 CO -0.05 0.56 2.10 0.28 0.10 0.00 0.00 175.35 178.34 2hwf h VAL 87 N 3.34 0.25 -0.06 1.79 2.07 -1.08 -3.43 116.25 119.13 2hwf h VAL 87 Ca -0.48 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 66.56 2hwf h VAL 87 Cb 1.17 1.35 0.01 0.00 -1.52 0.00 0.00 31.29 32.30 2hwf h VAL 87 CO 0.56 0.06 0.27 0.47 0.02 0.00 0.00 177.57 178.95 2hwf n ASP 88 N -3.31 0.65 -0.02 0.57 8.00 -1.26 -4.73 116.55 116.44 2hwf n ASP 88 Ca -0.01 -2.26 0.00 0.00 0.71 0.00 0.00 54.79 53.23 2hwf n ASP 88 Cb 0.24 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 39.90 2hwf n ASP 88 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2hwf n ILE 89 N 8.08 0.00 -2.08 0.53 -5.35 -1.26 -1.07 119.36 118.21 2hwf n ILE 89 Ca 0.33 0.00 0.05 0.00 -0.27 0.00 0.00 62.75 62.86 2hwf n ILE 89 Cb 0.47 -0.30 0.11 0.00 -1.74 0.00 0.00 39.64 38.18 2hwf n ILE 89 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 2hwf n THR 90 N 0.00 1.01 -3.77 7.28 -1.04 -1.26 -3.76 114.28 112.74 2hwf n THR 90 Ca 0.00 -2.00 -0.29 0.00 -2.04 0.00 0.00 64.05 59.72 2hwf n THR 90 Cb 0.00 0.43 -0.16 0.00 -1.82 0.00 0.00 70.33 68.78 2hwf n THR 90 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2hwf s SER 91 N -2.55 3.52 0.05 8.00 1.04 -0.23 -4.59 113.70 118.93 2hwf s SER 91 Ca 0.35 -1.21 -0.32 0.00 0.48 0.00 0.00 55.95 55.25 2hwf s SER 91 Cb 0.37 -0.80 -0.17 0.00 0.10 0.00 0.00 66.02 65.53 2hwf s SER 91 CO -0.12 -0.34 0.79 0.35 0.98 0.00 0.00 173.24 174.90 2hwf n THR 92 N 4.91 0.46 0.05 2.02 -2.24 -1.26 -1.05 114.28 117.17 2hwf n THR 92 Ca -0.07 -0.12 -0.08 0.00 -2.27 0.00 0.00 64.05 61.52 2hwf n THR 92 Cb 0.45 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.76 2hwf n THR 92 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2hwf h PRO 93 N 2.12 0.40 0.00 -0.78 0.13 -1.93 -3.47 132.00 128.47 2hwf h PRO 93 Ca -0.39 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 2hwf h PRO 93 Cb 1.23 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2hwf h PRO 93 CO 0.54 0.87 0.00 1.28 -0.23 0.00 0.00 178.00 180.47 2hwf n LEU 94 N -3.91 0.00 0.00 1.56 4.77 -0.21 -4.32 117.00 114.89 2hwf n LEU 94 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2hwf n LEU 94 Cb 0.62 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 2hwf n LEU 94 CO 0.46 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.52 2hwf n ALA 95 N -3.00 0.00 0.00 -1.18 0.00 -1.25 -2.93 120.51 112.15 2hwf n ALA 95 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hwf n ALA 95 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2hwf n ALA 95 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2hwf n THR 96 N 0.00 0.00 -1.64 0.00 -2.24 -1.26 -2.77 114.28 106.36 2hwf n THR 96 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 2hwf n THR 96 Cb 0.00 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.24 2hwf n THR 96 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2hwf n THR 97 N -0.62 2.37 -0.48 4.28 -2.24 -1.15 -4.40 114.28 112.05 2hwf n THR 97 Ca 0.00 -0.50 0.40 0.00 -2.27 0.00 0.00 64.05 61.68 2hwf n THR 97 Cb 0.00 -1.29 0.68 0.00 -2.10 0.00 0.00 70.33 67.62 2hwf n THR 97 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2hwf h LEU 98 N 1.85 0.20 0.40 3.22 5.85 -1.90 0.36 115.31 125.29 2hwf h LEU 98 Ca -0.45 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.39 2hwf h LEU 98 Cb 1.32 0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.49 2hwf h LEU 98 CO 0.59 -0.22 -0.19 0.40 -0.34 0.00 0.00 178.44 178.68 2hwf h ILE 99 N 0.03 0.00 -0.22 4.05 2.04 -1.86 -3.24 117.51 118.31 2hwf h ILE 99 Ca 0.86 -0.52 0.06 0.00 1.00 0.00 0.00 64.86 66.26 2hwf h ILE 99 Cb 2.81 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 38.81 2hwf h ILE 99 CO -0.42 0.00 -0.29 1.23 0.00 0.00 0.00 178.15 178.67 2hwf h GLY 100 N -1.06 -0.29 -0.65 5.37 0.00 -0.66 0.29 103.07 106.07 2hwf h GLY 100 Ca -0.05 0.36 0.37 0.00 0.00 0.00 0.00 47.33 48.00 2hwf h GLY 100 CO 0.09 -0.21 0.85 -2.09 0.00 0.00 0.00 176.54 175.18 2hwf h GLU 101 N -0.31 0.15 0.00 4.80 4.57 -0.28 -2.31 114.58 121.20 2hwf h GLU 101 Ca 0.13 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 2hwf h GLU 101 Cb 0.51 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 2hwf h GLU 101 CO -0.40 0.10 -0.03 0.82 -1.18 0.00 0.00 179.01 178.32 2hwf h ILE 102 N 0.15 0.00 -1.33 2.32 2.04 -1.13 -3.37 117.51 116.20 2hwf h ILE 102 Ca 0.68 -0.41 0.44 0.00 1.00 0.00 0.00 64.86 66.57 2hwf h ILE 102 Cb 2.25 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 38.22 2hwf h ILE 102 CO -0.21 0.00 0.88 0.00 0.00 0.00 0.00 178.15 178.82 2hwf n ALA 103 N -2.38 1.30 0.67 1.87 0.00 0.87 0.25 120.51 123.09 2hwf n ALA 103 Ca -0.00 0.72 0.00 0.00 0.00 0.00 0.00 53.44 54.15 2hwf n ALA 103 Cb 0.01 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.52 2hwf n ALA 103 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2hwf n SER 104 N -4.27 0.39 0.00 0.00 7.64 -0.90 -0.92 113.62 115.55 2hwf n SER 104 Ca 0.36 -1.06 0.00 0.00 1.01 0.00 0.00 58.87 59.18 2hwf n SER 104 Cb 1.46 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 64.47 2hwf n SER 104 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2hwf n TYR 105 N 0.04 0.00 -4.26 1.43 4.01 0.68 -3.05 117.16 116.00 2hwf n TYR 105 Ca 0.00 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.56 2hwf n TYR 105 Cb 0.10 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.02 2hwf n TYR 105 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 2hwf s TYR 106 N -0.75 1.45 -0.02 -0.72 2.02 -0.10 0.78 117.35 120.02 2hwf s TYR 106 Ca 0.00 -0.58 0.12 0.00 -0.37 0.00 0.00 57.07 56.24 2hwf s TYR 106 Cb 0.00 -0.74 -0.21 0.00 -0.40 0.00 0.00 41.96 40.61 2hwf s TYR 106 CO 0.00 0.18 0.84 1.15 -1.57 0.00 0.00 175.55 176.14 2hwf h THR 107 N 3.27 1.01 -4.05 -0.71 2.02 0.07 -3.43 112.91 111.09 2hwf h THR 107 Ca -0.39 -2.79 -0.43 0.00 0.77 0.00 0.00 66.41 63.57 2hwf h THR 107 Cb 1.20 2.48 -0.26 0.00 -1.74 0.00 0.00 68.15 69.83 2hwf h THR 107 CO 0.54 0.57 -0.79 -1.00 0.37 0.00 0.00 175.52 175.22 2hwf s HIS 108 N -2.66 1.10 0.24 3.16 3.76 -0.55 0.28 115.29 120.62 2hwf s HIS 108 Ca -0.03 -0.31 0.06 0.00 -0.15 0.00 0.00 55.06 54.64 2hwf s HIS 108 Cb 0.08 -0.67 -0.05 0.00 1.11 0.00 0.00 32.58 33.05 2hwf s HIS 108 CO 0.82 0.01 -0.08 1.67 -0.85 0.00 0.00 174.74 176.31 2hwf s TRP 109 N -0.69 1.80 -0.17 1.40 1.48 0.11 -1.75 118.94 121.12 2hwf s TRP 109 Ca 0.02 -0.69 -0.35 0.00 -1.06 0.00 0.00 56.10 54.02 2hwf s TRP 109 Cb -0.07 -0.97 0.14 0.00 -1.16 0.00 0.00 33.47 31.41 2hwf s TRP 109 CO 0.01 0.26 1.18 -0.08 -4.06 0.00 0.00 176.95 174.25 2hwf s THR 110 N -3.06 0.00 0.00 0.66 -1.32 -0.21 -2.11 115.64 109.60 2hwf s THR 110 Ca 0.27 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.75 2hwf s THR 110 Cb 0.03 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.02 2hwf s THR 110 CO 0.09 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.11 2hwf n GLY 111 N -0.10 -2.04 3.92 6.08 0.00 -1.26 -1.39 105.19 110.39 2hwf n GLY 111 Ca -0.00 -2.12 -0.28 0.00 0.00 0.00 0.00 46.02 43.62 2hwf n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hwf s SER 112 N -2.78 4.52 -0.01 1.61 0.01 -1.26 -4.58 113.70 111.21 2hwf s SER 112 Ca 0.00 0.58 -0.13 0.00 1.31 0.00 0.00 55.95 57.71 2hwf s SER 112 Cb 0.00 -1.10 0.02 0.00 0.21 0.00 0.00 66.02 65.15 2hwf s SER 112 CO 0.00 -1.85 0.26 -0.76 0.41 0.00 0.00 173.24 171.31 2hwf s LEU 113 N -5.46 1.04 -0.21 2.44 1.43 -0.90 -3.81 118.68 113.21 2hwf s LEU 113 Ca 0.62 0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.72 2hwf s LEU 113 Cb -0.10 1.11 0.01 0.00 0.03 0.00 0.00 46.19 47.23 2hwf s LEU 113 CO 0.47 -0.43 -0.10 -0.60 0.23 0.00 0.00 176.35 175.92 2hwf s ARG 114 N -1.33 3.16 -0.15 1.70 3.52 -1.03 0.09 118.95 124.91 2hwf s ARG 114 Ca -0.14 -0.75 -0.03 0.00 -0.13 0.00 0.00 55.73 54.68 2hwf s ARG 114 Cb -0.06 -2.84 -0.03 0.00 -1.56 0.00 0.00 34.95 30.46 2hwf s ARG 114 CO 0.04 -0.23 -0.04 -0.06 -0.81 0.00 0.00 175.30 174.20 2hwf s PHE 115 N 1.39 3.02 -0.01 5.12 0.40 0.11 -2.22 117.98 125.80 2hwf s PHE 115 Ca 0.05 -0.26 0.08 0.00 -0.60 0.00 0.00 56.93 56.20 2hwf s PHE 115 Cb -0.14 -1.93 -0.02 0.00 0.51 0.00 0.00 43.02 41.44 2hwf s PHE 115 CO -0.07 0.01 -0.25 -1.12 0.70 0.00 0.00 175.22 174.49 2hwf s SER 116 N 0.21 3.00 0.07 1.36 0.01 0.23 0.19 113.70 118.76 2hwf s SER 116 Ca -0.02 -0.48 0.06 0.00 1.31 0.00 0.00 55.95 56.82 2hwf s SER 116 Cb -0.14 -0.32 -0.03 0.00 0.21 0.00 0.00 66.02 65.74 2hwf s SER 116 CO 0.03 0.30 -0.17 -0.36 0.41 0.00 0.00 173.24 173.44 2hwf s PHE 117 N -0.64 1.50 -0.01 2.43 0.08 0.88 0.77 117.98 123.00 2hwf s PHE 117 Ca 0.10 -0.40 0.03 0.00 0.12 0.00 0.00 56.93 56.78 2hwf s PHE 117 Cb -0.10 -0.86 -0.01 0.00 -0.57 0.00 0.00 43.02 41.48 2hwf s PHE 117 CO -0.00 0.10 -0.10 1.41 -0.10 0.00 0.00 175.22 176.53 2hwf s MET 118 N -1.53 0.83 -0.55 0.44 -2.45 -0.87 -1.62 119.30 113.56 2hwf s MET 118 Ca 0.03 -0.37 -0.19 0.00 -1.25 0.00 0.00 55.69 53.91 2hwf s MET 118 Cb -0.09 -0.80 0.08 0.00 1.25 0.00 0.00 34.83 35.26 2hwf s MET 118 CO 0.02 0.22 0.67 0.12 1.05 0.00 0.00 175.02 177.10 2hwf s PHE 119 N -0.25 3.02 -0.41 4.11 5.36 -0.87 -1.36 117.98 127.58 2hwf s PHE 119 Ca 0.04 -0.73 0.03 0.00 -0.96 0.00 0.00 56.93 55.31 2hwf s PHE 119 Cb -0.04 -3.77 0.24 0.00 -0.34 0.00 0.00 43.02 39.12 2hwf s PHE 119 CO -0.00 -1.16 1.14 0.00 -1.46 0.00 0.00 175.22 173.73 2hwf n GLY 121 N 0.06 -1.99 1.94 0.00 0.00 -1.22 -4.34 105.19 99.64 2hwf n GLY 121 Ca 0.15 -1.02 -0.16 0.00 0.00 0.00 0.00 46.02 44.99 2hwf n GLY 121 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2hwf n THR 122 N 0.00 0.00 -0.07 2.61 -1.04 -1.26 -4.96 114.28 109.56 2hwf n THR 122 Ca 0.00 -1.23 -0.05 0.00 -2.04 0.00 0.00 64.05 60.72 2hwf n THR 122 Cb 0.00 0.12 -0.02 0.00 -1.82 0.00 0.00 70.33 68.61 2hwf n THR 122 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hwf h ALA 123 N 1.03 0.02 0.00 2.41 0.00 -1.98 -3.35 119.26 117.38 2hwf h ALA 123 Ca -0.21 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2hwf h ALA 123 Cb 0.67 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2hwf h ALA 123 CO 0.35 0.50 0.00 0.09 0.00 0.00 0.00 179.25 180.18 2hwf n ASN 124 N -4.61 0.52 -4.79 0.00 5.03 -1.26 -4.73 115.26 105.42 2hwf n ASN 124 Ca -0.08 0.72 -0.32 0.00 0.87 0.00 0.00 54.58 55.77 2hwf n ASN 124 Cb 0.28 -0.80 0.05 0.00 -1.02 0.00 0.00 39.78 38.29 2hwf n ASN 124 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2hwf s THR 125 N -3.46 3.56 0.01 3.41 2.01 -1.26 -4.51 115.64 115.40 2hwf s THR 125 Ca -0.01 0.63 -0.10 0.00 0.31 0.00 0.00 61.69 62.52 2hwf s THR 125 Cb 0.06 -3.18 0.01 0.00 0.01 0.00 0.00 72.50 69.39 2hwf s THR 125 CO 0.21 -0.54 0.21 0.42 -0.69 0.00 0.00 174.62 174.22 2hwf s THR 126 N -2.65 0.09 0.09 -0.82 -4.23 -0.78 -4.88 115.64 102.46 2hwf s THR 126 Ca 0.63 -0.72 -0.27 0.00 -1.18 0.00 0.00 61.69 60.15 2hwf s THR 126 Cb -0.17 -0.68 0.08 0.00 1.34 0.00 0.00 72.50 73.07 2hwf s THR 126 CO 0.47 -0.39 1.06 -0.22 -0.54 0.00 0.00 174.62 174.99 2hwf s LEU 127 N -1.67 -0.15 -0.28 4.79 2.96 -1.24 -0.54 118.68 122.55 2hwf s LEU 127 Ca -0.10 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 53.53 2hwf s LEU 127 Cb -0.04 1.91 0.16 0.00 0.50 0.00 0.00 46.19 48.71 2hwf s LEU 127 CO 0.00 -0.69 0.41 -0.54 -1.32 0.00 0.00 176.35 174.21 2hwf s LYS 128 N -3.01 0.41 0.29 1.98 1.02 -1.16 -1.88 119.74 117.40 2hwf s LYS 128 Ca 0.12 0.23 0.01 0.00 0.02 0.00 0.00 55.97 56.36 2hwf s LYS 128 Cb 0.00 -0.30 -0.03 0.00 -0.52 0.00 0.00 37.83 36.98 2hwf s LYS 128 CO -0.00 -0.95 0.47 -0.51 -0.92 0.00 0.00 175.35 173.44 2hwf s LEU 129 N 2.56 4.13 -0.19 3.17 1.43 -1.04 0.12 118.68 128.87 2hwf s LEU 129 Ca 0.10 0.35 0.01 0.00 -1.03 0.00 0.00 54.13 53.57 2hwf s LEU 129 Cb -0.13 -3.18 0.03 0.00 0.03 0.00 0.00 46.19 42.94 2hwf s LEU 129 CO -0.27 -0.19 -0.18 -0.22 0.23 0.00 0.00 176.35 175.71 2hwf s LEU 130 N -4.03 2.24 0.04 1.79 0.20 0.13 0.09 118.68 119.15 2hwf s LEU 130 Ca 0.38 -0.73 0.03 0.00 0.69 0.00 0.00 54.13 54.51 2hwf s LEU 130 Cb -0.10 -1.45 -0.04 0.00 -0.43 0.00 0.00 46.19 44.17 2hwf s LEU 130 CO 0.33 -0.03 -0.00 -0.76 -0.29 0.00 0.00 176.35 175.60 2hwf s LEU 131 N 1.29 3.48 -0.05 -0.68 2.01 -0.78 0.49 118.68 124.44 2hwf s LEU 131 Ca 0.03 -0.09 -0.13 0.00 0.01 0.00 0.00 54.13 53.95 2hwf s LEU 131 Cb -0.14 -2.10 0.03 0.00 0.01 0.00 0.00 46.19 43.98 2hwf s LEU 131 CO -0.12 0.23 0.31 0.00 1.01 0.00 0.00 176.35 177.78 2hwf s ALA 132 N -1.19 -0.78 -0.30 4.21 0.00 0.20 -1.08 121.76 122.82 2hwf s ALA 132 Ca 0.23 0.54 -0.07 0.00 0.00 0.00 0.00 51.96 52.65 2hwf s ALA 132 Cb -0.12 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.86 2hwf s ALA 132 CO 0.14 -0.22 0.08 -0.47 0.00 0.00 0.00 175.76 175.30 2hwf s TYR 133 N -0.76 3.16 -0.49 0.00 5.04 0.15 -0.39 117.35 124.06 2hwf s TYR 133 Ca -0.09 -1.04 -0.12 0.00 -2.44 0.00 0.00 57.07 53.38 2hwf s TYR 133 Cb -0.04 -2.26 0.12 0.00 0.35 0.00 0.00 41.96 40.13 2hwf s TYR 133 CO 0.03 -0.60 0.40 0.99 -1.34 0.00 0.00 175.55 175.02 2hwf s THR 134 N 1.49 4.58 1.02 4.34 2.01 0.17 -3.07 115.64 126.17 2hwf s THR 134 Ca 0.02 -1.65 -0.14 0.00 0.31 0.00 0.00 61.69 60.22 2hwf s THR 134 Cb -0.17 -3.97 0.10 0.00 0.01 0.00 0.00 72.50 68.46 2hwf s THR 134 CO 0.02 -0.79 0.44 -0.81 -0.69 0.00 0.00 174.62 172.79 2hwf n PRO 135 N 5.03 -0.93 -1.89 4.92 -0.04 -1.26 -1.50 135.00 139.33 2hwf n PRO 135 Ca -0.10 -0.24 -0.40 0.00 -0.04 0.00 0.00 63.50 62.72 2hwf n PRO 135 Cb 0.41 -1.91 0.01 0.00 -0.04 0.00 0.00 33.50 31.97 2hwf n PRO 135 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2hwf s PRO 136 N -3.78 3.87 0.00 0.54 0.04 -1.24 -4.20 135.00 130.22 2hwf s PRO 136 Ca 0.59 2.35 0.00 0.00 0.04 0.00 0.00 61.00 63.98 2hwf s PRO 136 Cb -0.19 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.60 2hwf s PRO 136 CO 0.66 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 177.46 2hwf n GLY 137 N 0.60 2.31 0.00 0.56 0.00 -1.26 -5.00 105.19 102.40 2hwf n GLY 137 Ca 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2hwf n GLY 137 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2hwf n ILE 138 N 0.00 0.00 -3.38 -0.61 -5.35 -1.26 -5.15 119.36 103.61 2hwf n ILE 138 Ca 0.00 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 62.14 2hwf n ILE 138 Cb 0.00 0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 37.84 2hwf n ILE 138 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 2hwf s ASP 139 N 0.56 6.72 0.12 7.28 1.01 -1.26 -5.00 116.67 126.10 2hwf s ASP 139 Ca 0.00 1.01 -0.33 0.00 0.71 0.00 0.00 52.55 53.93 2hwf s ASP 139 Cb 0.00 -2.26 -0.13 0.00 1.01 0.00 0.00 42.92 41.54 2hwf s ASP 139 CO 0.00 0.00 1.68 -1.84 0.21 0.00 0.00 175.17 175.22 2hwf n GLU 140 N 0.30 2.30 -1.94 8.23 0.28 -1.26 -4.79 120.64 123.76 2hwf n GLU 140 Ca -0.02 0.83 -0.42 0.00 -0.16 0.00 0.00 57.16 57.39 2hwf n GLU 140 Cb 0.52 -2.64 -0.03 0.00 1.43 0.00 0.00 31.44 30.72 2hwf n GLU 140 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2hwf s PRO 141 N 1.67 4.22 0.16 3.44 0.04 -1.26 -4.93 135.00 138.35 2hwf s PRO 141 Ca 0.81 2.36 -0.00 0.00 0.04 0.00 0.00 61.00 64.21 2hwf s PRO 141 Cb -0.64 -3.14 -0.00 0.00 0.04 0.00 0.00 34.50 30.76 2hwf s PRO 141 CO 0.39 -0.57 1.38 0.00 0.04 0.00 0.00 177.00 178.24 2hwf h THR 142 N 3.87 1.44 -2.98 1.26 1.03 -1.99 -3.47 112.91 112.07 2hwf h THR 142 Ca -0.44 -2.43 -0.52 0.00 -0.01 0.00 0.00 66.41 63.01 2hwf h THR 142 Cb 1.21 2.35 -0.16 0.00 -1.07 0.00 0.00 68.15 70.48 2hwf h THR 142 CO 0.88 0.72 -0.77 0.28 -0.01 0.00 0.00 175.52 176.62 2hwf s THR 143 N -3.34 1.94 -0.00 0.00 -1.32 -1.26 -5.02 115.64 106.64 2hwf s THR 143 Ca -0.04 -2.10 -0.19 0.00 -1.21 0.00 0.00 61.69 58.15 2hwf s THR 143 Cb 0.10 -2.00 -0.11 0.00 -1.51 0.00 0.00 72.50 68.98 2hwf s THR 143 CO 0.84 -0.40 0.89 -0.09 -2.21 0.00 0.00 174.62 173.65 2hwf h ARG 144 N 2.87 -0.66 0.00 7.08 2.43 -1.90 -2.48 114.38 121.72 2hwf h ARG 144 Ca -0.41 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 2hwf h ARG 144 Cb 1.22 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 2hwf h ARG 144 CO 0.56 -0.44 0.00 1.17 -1.51 0.00 0.00 179.97 179.74 2hwf n LYS 145 N -4.78 0.00 -0.31 0.20 4.81 -1.26 0.14 118.16 116.96 2hwf n LYS 145 Ca -0.09 0.70 0.20 0.00 -0.87 0.00 0.00 58.31 58.26 2hwf n LYS 145 Cb 0.27 -1.10 0.38 0.00 0.02 0.00 0.00 35.03 34.60 2hwf n LYS 145 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2hwf n ASP 146 N -2.28 0.07 0.07 3.14 8.00 -1.23 -0.14 116.55 124.19 2hwf n ASP 146 Ca 0.00 1.54 -0.13 0.00 0.71 0.00 0.00 54.79 56.91 2hwf n ASP 146 Cb 0.00 -0.64 -0.04 0.00 -0.02 0.00 0.00 41.12 40.42 2hwf n ASP 146 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hwf h ALA 147 N 1.83 0.38 0.00 2.24 0.00 0.16 -3.31 119.26 120.57 2hwf h ALA 147 Ca 0.65 -0.72 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2hwf h ALA 147 Cb 1.53 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 2hwf h ALA 147 CO -0.79 0.84 -0.02 1.98 0.00 0.00 0.00 179.25 181.26 2hwf h MET 148 N 0.20 0.00 -0.30 0.00 1.85 0.29 -2.38 114.93 114.60 2hwf h MET 148 Ca -0.08 0.00 0.04 0.00 -0.61 0.00 0.00 59.70 59.05 2hwf h MET 148 Cb 1.58 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.60 2hwf h MET 148 CO 0.16 0.02 0.20 -0.07 -0.40 0.00 0.00 176.91 176.82 2hwf h LEU 149 N 0.00 0.20 0.00 3.39 3.38 -1.59 -3.43 115.31 117.25 2hwf h LEU 149 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2hwf h LEU 149 Cb 0.06 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2hwf h LEU 149 CO 0.00 0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.28 2hwf n GLY 150 N -1.53 2.68 3.68 0.83 0.00 -0.90 -5.04 105.19 104.91 2hwf n GLY 150 Ca 0.03 -2.03 -0.46 0.00 0.00 0.00 0.00 46.02 43.56 2hwf n GLY 150 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2hwf n THR 151 N 0.00 0.27 -3.83 2.61 -1.04 -1.18 -4.91 114.28 106.21 2hwf n THR 151 Ca 0.00 -0.05 -0.07 0.00 -2.04 0.00 0.00 64.05 61.89 2hwf n THR 151 Cb 0.00 -1.79 0.01 0.00 -1.82 0.00 0.00 70.33 66.73 2hwf n THR 151 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 2hwf s HIS 152 N 2.35 0.01 -0.13 -1.42 -0.00 -1.26 0.34 115.29 115.19 2hwf s HIS 152 Ca 0.84 -0.57 -0.05 0.00 -0.00 0.00 0.00 55.06 55.28 2hwf s HIS 152 Cb -0.64 0.77 0.06 0.00 -0.00 0.00 0.00 32.58 32.78 2hwf s HIS 152 CO 0.42 -1.34 0.26 0.08 -0.00 0.00 0.00 174.74 174.16 2hwf s VAL 153 N -2.77 -0.38 0.27 -5.38 1.01 -0.24 -5.01 120.40 107.90 2hwf s VAL 153 Ca 0.15 0.27 -0.29 0.00 0.00 0.00 0.00 61.98 62.11 2hwf s VAL 153 Cb -0.05 -0.43 -0.09 0.00 0.00 0.00 0.00 36.38 35.81 2hwf s VAL 153 CO 0.09 0.11 0.99 -0.69 0.00 0.00 0.00 175.10 175.60 2hwf s VAL 154 N 2.33 3.91 -0.20 2.92 1.01 -1.26 -1.87 120.40 127.24 2hwf s VAL 154 Ca 0.00 1.86 0.01 0.00 0.00 0.00 0.00 61.98 63.85 2hwf s VAL 154 Cb -0.12 -4.15 0.03 0.00 0.00 0.00 0.00 36.38 32.14 2hwf s VAL 154 CO -0.08 0.39 -0.16 0.86 0.00 0.00 0.00 175.10 176.10 2hwf s TRP 155 N -1.25 2.77 -0.38 5.22 -0.00 0.11 -4.96 118.94 120.44 2hwf s TRP 155 Ca 0.44 -1.73 -0.15 0.00 -0.00 0.00 0.00 56.10 54.66 2hwf s TRP 155 Cb -0.27 -1.85 0.00 0.00 -0.00 0.00 0.00 33.47 31.36 2hwf s TRP 155 CO 0.33 -0.80 0.32 0.34 -0.00 0.00 0.00 176.95 177.14 2hwf s ASP 156 N 1.29 6.12 0.06 5.86 2.15 -1.26 -2.49 116.67 128.40 2hwf s ASP 156 Ca 0.01 -0.60 -0.31 0.00 0.43 0.00 0.00 52.55 52.09 2hwf s ASP 156 Cb -0.15 -2.17 -0.06 0.00 -0.30 0.00 0.00 42.92 40.24 2hwf s ASP 156 CO -0.11 -0.39 1.22 -0.69 -0.17 0.00 0.00 175.17 175.03 2hwf s VAL 157 N 1.84 3.95 0.00 1.11 1.01 -0.79 -4.80 120.40 122.73 2hwf s VAL 157 Ca 0.08 1.40 0.00 0.00 0.00 0.00 0.00 61.98 63.46 2hwf s VAL 157 Cb -0.18 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.31 2hwf s VAL 157 CO 0.11 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.92 2hwf n GLY 158 N 3.26 1.68 0.33 4.51 0.00 -1.26 -4.52 105.19 109.19 2hwf n GLY 158 Ca 0.09 -0.79 0.03 0.00 0.00 0.00 0.00 46.02 45.35 2hwf n GLY 158 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2hwf h LEU 159 N 0.00 0.00 0.00 0.99 6.46 -1.94 -2.81 115.31 118.00 2hwf h LEU 159 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2hwf h LEU 159 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 2hwf h LEU 159 CO 0.00 0.00 0.00 1.67 -0.62 0.00 0.00 178.44 179.49 2hwf n GLN 160 N -2.55 0.00 0.00 1.25 -0.06 -1.26 -5.00 117.38 109.76 2hwf n GLN 160 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2hwf n GLN 160 Cb 0.88 -0.26 0.00 0.00 -4.06 0.00 0.00 30.24 26.80 2hwf n GLN 160 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 2hwf n SER 161 N -0.23 0.00 -4.08 1.69 3.41 -1.06 -5.05 113.62 108.29 2hwf n SER 161 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.35 2hwf n SER 161 Cb 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.78 2hwf n SER 161 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2hwf s THR 162 N -1.21 1.37 -0.02 6.66 2.01 -1.26 -2.05 115.64 121.13 2hwf s THR 162 Ca 0.00 -0.63 0.08 0.00 0.31 0.00 0.00 61.69 61.45 2hwf s THR 162 Cb 0.00 -1.22 -0.02 0.00 0.01 0.00 0.00 72.50 71.27 2hwf s THR 162 CO 0.00 0.40 -0.26 -0.51 -0.69 0.00 0.00 174.62 173.57 2hwf s ILE 163 N 0.48 2.03 -0.14 1.82 1.10 -0.64 -4.97 121.20 120.88 2hwf s ILE 163 Ca -0.13 -1.10 0.02 0.00 -0.51 0.00 0.00 60.65 58.93 2hwf s ILE 163 Cb -0.15 -1.68 0.01 0.00 0.15 0.00 0.00 42.46 40.79 2hwf s ILE 163 CO 0.04 0.57 -0.21 -0.55 -2.11 0.00 0.00 174.94 172.69 2hwf s SER 164 N -0.61 3.01 -0.20 4.50 0.15 -1.26 -0.08 113.70 119.21 2hwf s SER 164 Ca 0.10 -0.58 -0.07 0.00 0.70 0.00 0.00 55.95 56.10 2hwf s SER 164 Cb -0.10 -1.39 -0.03 0.00 -1.71 0.00 0.00 66.02 62.79 2hwf s SER 164 CO -0.01 0.07 0.05 -0.22 1.20 0.00 0.00 173.24 174.32 2hwf s LEU 165 N 0.87 3.55 0.09 3.45 2.96 0.52 -4.96 118.68 125.16 2hwf s LEU 165 Ca -0.06 -0.07 -0.06 0.00 -0.22 0.00 0.00 54.13 53.71 2hwf s LEU 165 Cb -0.15 -1.91 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 2hwf s LEU 165 CO -0.02 0.09 0.35 -0.69 -1.32 0.00 0.00 176.35 174.76 2hwf s VAL 166 N 0.85 5.19 -0.58 1.68 1.01 -1.26 0.10 120.40 127.38 2hwf s VAL 166 Ca 0.03 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.14 2hwf s VAL 166 Cb -0.14 -3.62 0.15 0.00 0.00 0.00 0.00 36.38 32.78 2hwf s VAL 166 CO 0.02 0.18 0.38 -0.69 0.00 0.00 0.00 175.10 174.99 2hwf s VAL 167 N -1.51 3.43 1.10 2.92 1.01 0.11 -4.95 120.40 122.52 2hwf s VAL 167 Ca 0.36 -2.96 -0.18 0.00 0.00 0.00 0.00 61.98 59.20 2hwf s VAL 167 Cb -0.13 -3.27 0.11 0.00 0.00 0.00 0.00 36.38 33.09 2hwf s VAL 167 CO 0.21 -0.84 0.11 -0.81 0.00 0.00 0.00 175.10 173.77 2hwf n PRO 168 N 3.50 -1.50 -3.63 2.72 -0.04 -1.26 -2.12 135.00 132.67 2hwf n PRO 168 Ca 0.07 -0.42 -0.39 0.00 -0.04 0.00 0.00 63.50 62.72 2hwf n PRO 168 Cb 0.37 -1.75 -0.11 0.00 -0.04 0.00 0.00 33.50 31.97 2hwf n PRO 168 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 2hwf s TRP 169 N -2.26 3.19 -0.14 0.54 -0.11 -1.26 -4.77 118.94 114.12 2hwf s TRP 169 Ca 0.57 -0.62 0.01 0.00 1.22 0.00 0.00 56.10 57.28 2hwf s TRP 169 Cb -0.14 -2.38 0.02 0.00 -1.50 0.00 0.00 33.47 29.47 2hwf s TRP 169 CO 0.66 -0.49 -0.17 0.08 -4.62 0.00 0.00 176.95 172.42 2hwf s VAL 170 N 1.61 1.73 0.10 5.86 1.01 -1.26 -5.02 120.40 124.42 2hwf s VAL 170 Ca 0.04 -0.75 -0.26 0.00 0.00 0.00 0.00 61.98 61.01 2hwf s VAL 170 Cb -0.17 -1.58 0.08 0.00 0.00 0.00 0.00 36.38 34.71 2hwf s VAL 170 CO 0.07 0.48 0.95 -0.55 0.00 0.00 0.00 175.10 176.05 2hwf s SER 171 N 1.21 -0.23 -0.19 3.32 0.15 -1.26 -4.87 113.70 111.83 2hwf s SER 171 Ca -0.00 -0.27 -0.15 0.00 0.70 0.00 0.00 55.95 56.23 2hwf s SER 171 Cb -0.14 0.44 -0.09 0.00 -1.71 0.00 0.00 66.02 64.53 2hwf s SER 171 CO -0.07 -0.79 -0.17 0.00 1.20 0.00 0.00 173.24 173.41 2hwf n ALA 172 N -0.40 0.77 -2.29 5.45 0.00 -1.26 -4.88 120.51 117.89 2hwf n ALA 172 Ca -0.07 -0.66 -0.43 0.00 0.00 0.00 0.00 53.44 52.28 2hwf n ALA 172 Cb 0.61 -0.09 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 2hwf n ALA 172 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2hwf s SER 173 N -6.34 6.55 0.51 0.00 1.04 -1.26 -4.87 113.70 109.33 2hwf s SER 173 Ca -0.26 1.38 0.24 0.00 0.48 0.00 0.00 55.95 57.79 2hwf s SER 173 Cb 0.06 -2.54 0.84 0.00 0.10 0.00 0.00 66.02 64.48 2hwf s SER 173 CO 0.40 -1.16 1.12 1.41 0.98 0.00 0.00 173.24 175.99 2hwf n HIS 174 N 7.97 0.00 -4.20 5.02 -0.00 -1.26 -4.22 115.22 118.54 2hwf n HIS 174 Ca 0.16 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.70 2hwf n HIS 174 Cb 0.46 -0.24 -0.12 0.00 -0.00 0.00 0.00 29.99 30.09 2hwf n HIS 174 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 2hwf s PHE 175 N -4.12 1.19 0.20 4.41 0.08 -1.26 -4.83 117.98 113.66 2hwf s PHE 175 Ca -0.02 -0.44 0.10 0.00 0.12 0.00 0.00 56.93 56.68 2hwf s PHE 175 Cb 0.13 -0.68 -0.04 0.00 -0.57 0.00 0.00 43.02 41.86 2hwf s PHE 175 CO 0.43 0.05 -0.13 1.03 -0.10 0.00 0.00 175.22 176.50 2hwf s ARG 176 N -1.63 1.93 0.22 0.44 0.52 -0.90 -4.99 118.95 114.54 2hwf s ARG 176 Ca -0.02 -1.38 -0.18 0.00 -0.52 0.00 0.00 55.73 53.63 2hwf s ARG 176 Cb -0.10 -2.06 -0.08 0.00 0.52 0.00 0.00 34.95 33.24 2hwf s ARG 176 CO 0.02 0.41 0.70 -1.17 0.02 0.00 0.00 175.30 175.28 2hwf s LEU 177 N -2.92 4.31 0.22 2.53 0.20 -1.26 -0.71 118.68 121.05 2hwf s LEU 177 Ca 0.25 1.35 0.13 0.00 0.69 0.00 0.00 54.13 56.55 2hwf s LEU 177 Cb -0.08 -3.59 -0.02 0.00 -0.43 0.00 0.00 46.19 42.07 2hwf s LEU 177 CO 0.14 0.02 1.35 0.71 -0.29 0.00 0.00 176.35 178.28 2hwf h THR 178 N 2.66 1.04 -3.80 3.68 1.35 -0.45 -3.44 112.91 113.95 2hwf h THR 178 Ca -0.48 -2.50 -0.49 0.00 -0.55 0.00 0.00 66.41 62.40 2hwf h THR 178 Cb 1.19 2.50 -0.01 0.00 -1.73 0.00 0.00 68.15 70.10 2hwf h THR 178 CO 0.65 0.59 0.37 0.00 -0.25 0.00 0.00 175.52 176.88 2hwf s ALA 179 N -2.89 3.30 -0.19 6.62 0.00 -1.26 -4.57 121.76 122.77 2hwf s ALA 179 Ca 0.03 0.64 -0.41 0.00 0.00 0.00 0.00 51.96 52.21 2hwf s ALA 179 Cb 0.08 -3.22 -0.18 0.00 0.00 0.00 0.00 23.12 19.80 2hwf s ALA 179 CO 0.77 0.13 1.45 -3.47 0.00 0.00 0.00 175.76 174.64 2hwf n ASP 180 N 1.15 1.30 -3.61 0.00 2.03 -1.26 -4.91 116.55 111.24 2hwf n ASP 180 Ca -0.01 1.14 -0.03 0.00 0.52 0.00 0.00 54.79 56.42 2hwf n ASP 180 Cb 0.48 -1.02 -0.05 0.00 -0.72 0.00 0.00 41.12 39.80 2hwf n ASP 180 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2hwf s ASN 181 N 1.84 -0.96 0.25 1.67 3.84 -1.26 -5.01 114.94 115.32 2hwf s ASN 181 Ca 0.95 1.39 -0.03 0.00 0.21 0.00 0.00 52.86 55.38 2hwf s ASN 181 Cb -1.21 1.85 0.45 0.00 -0.55 0.00 0.00 41.25 41.78 2hwf s ASN 181 CO 0.64 -0.20 1.80 0.50 -2.79 0.00 0.00 177.10 177.05 2hwf h LYS 182 N 7.46 0.74 0.00 0.43 3.64 -2.00 -2.87 116.57 123.98 2hwf h LYS 182 Ca -0.22 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 2hwf h LYS 182 Cb 1.15 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 2hwf h LYS 182 CO 0.12 0.49 0.00 0.98 -2.27 0.00 0.00 179.45 178.78 2hwf n TYR 183 N -4.76 0.00 0.11 1.91 4.19 -1.26 -3.49 117.16 113.86 2hwf n TYR 183 Ca 0.15 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.36 2hwf n TYR 183 Cb 0.33 -0.48 0.00 0.00 0.49 0.00 0.00 39.34 39.67 2hwf n TYR 183 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 2hwf n SER 184 N -1.95 0.27 -4.64 2.98 7.64 -1.15 -4.81 113.62 111.96 2hwf n SER 184 Ca 0.00 -0.23 -0.43 0.00 1.01 0.00 0.00 58.87 59.23 2hwf n SER 184 Cb 0.00 -0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.12 2hwf n SER 184 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2hwf s MET 185 N 0.31 3.89 0.36 1.43 -1.94 -1.09 -4.74 119.30 117.52 2hwf s MET 185 Ca 0.00 2.08 0.20 0.00 -1.71 0.00 0.00 55.69 56.26 2hwf s MET 185 Cb 0.00 -4.10 0.21 0.00 2.01 0.00 0.00 34.83 32.95 2hwf s MET 185 CO 0.00 -1.21 1.51 0.00 -0.01 0.00 0.00 175.02 175.31 2hwf h ALA 186 N 10.99 0.85 0.00 3.03 0.00 -1.89 -3.41 119.26 128.82 2hwf h ALA 186 Ca -0.40 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2hwf h ALA 186 Cb 1.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2hwf h ALA 186 CO 0.97 0.26 0.00 0.41 0.00 0.00 0.00 179.25 180.89 2hwf n GLY 187 N 1.16 -0.43 3.32 0.00 0.00 -1.26 -3.66 105.19 104.32 2hwf n GLY 187 Ca 0.03 -2.22 -0.19 0.00 0.00 0.00 0.00 46.02 43.64 2hwf n GLY 187 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2hwf s TYR 188 N 0.00 1.64 -0.00 1.61 1.51 -0.56 -0.43 117.35 121.13 2hwf s TYR 188 Ca 0.00 -0.57 0.02 0.00 -1.01 0.00 0.00 57.07 55.51 2hwf s TYR 188 Cb 0.00 -0.79 -0.01 0.00 -0.11 0.00 0.00 41.96 41.05 2hwf s TYR 188 CO 0.00 0.30 -0.07 -1.50 -1.11 0.00 0.00 175.55 173.17 2hwf s ILE 189 N -2.71 0.51 0.17 2.71 2.07 -0.98 0.42 121.20 123.39 2hwf s ILE 189 Ca 0.19 -0.30 -0.07 0.00 -1.41 0.00 0.00 60.65 59.05 2hwf s ILE 189 Cb -0.02 -0.44 -0.02 0.00 0.13 0.00 0.00 42.46 42.12 2hwf s ILE 189 CO 0.06 0.13 0.25 0.42 -1.91 0.00 0.00 174.94 173.88 2hwf s THR 190 N -0.19 0.06 -0.01 4.00 -4.23 0.48 -2.46 115.64 113.30 2hwf s THR 190 Ca 0.02 -1.53 0.01 0.00 -1.18 0.00 0.00 61.69 59.02 2hwf s THR 190 Cb -0.03 -1.95 -0.00 0.00 1.34 0.00 0.00 72.50 71.86 2hwf s THR 190 CO -0.00 -0.28 -0.05 0.00 -0.54 0.00 0.00 174.62 173.75 2hwf s TRP 192 N 0.01 1.36 0.11 0.00 0.52 0.18 -0.52 118.94 120.60 2hwf s TRP 192 Ca 0.00 -1.41 -0.22 0.00 0.02 0.00 0.00 56.10 54.50 2hwf s TRP 192 Cb -0.03 -0.66 -0.07 0.00 -1.15 0.00 0.00 33.47 31.55 2hwf s TRP 192 CO -0.00 -0.63 0.66 0.71 0.02 0.00 0.00 176.95 177.70 2hwf s TYR 193 N -3.92 3.85 -0.21 -1.98 1.51 -0.66 0.19 117.35 116.13 2hwf s TYR 193 Ca 0.39 1.42 -0.16 0.00 -1.01 0.00 0.00 57.07 57.71 2hwf s TYR 193 Cb 0.06 -2.61 -0.12 0.00 -0.11 0.00 0.00 41.96 39.18 2hwf s TYR 193 CO 0.16 0.56 -0.13 0.94 -1.11 0.00 0.00 175.55 175.96 2hwf n GLN 194 N 1.67 0.54 0.00 -0.62 -0.06 0.33 -4.45 117.38 114.80 2hwf n GLN 194 Ca -0.08 0.41 0.00 0.00 -2.00 0.00 0.00 57.00 55.33 2hwf n GLN 194 Cb 0.50 -1.61 0.00 0.00 -4.06 0.00 0.00 30.24 25.07 2hwf n GLN 194 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 2hwf n THR 195 N -4.42 0.00 -2.61 1.69 -2.24 -0.85 -4.81 114.28 101.04 2hwf n THR 195 Ca -0.31 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2hwf n THR 195 Cb 0.63 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 2hwf n THR 195 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2hwf n ASN 196 N 0.00 0.00 -3.92 3.42 4.05 -1.26 -4.70 115.26 112.85 2hwf n ASN 196 Ca 0.00 -0.09 -0.31 0.00 0.45 0.00 0.00 54.58 54.63 2hwf n ASN 196 Cb 0.00 0.00 -0.15 0.00 1.23 0.00 0.00 39.78 40.86 2hwf n ASN 196 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 2hwf s LEU 197 N 0.00 3.69 -0.10 1.20 2.96 -1.25 -2.96 118.68 122.21 2hwf s LEU 197 Ca 0.00 -1.87 -0.02 0.00 -0.22 0.00 0.00 54.13 52.02 2hwf s LEU 197 Cb 0.00 -1.33 -0.03 0.00 0.50 0.00 0.00 46.19 45.33 2hwf s LEU 197 CO 0.00 -0.37 -0.01 -0.69 -1.32 0.00 0.00 176.35 173.95 2hwf s VAL 198 N 1.19 4.17 -0.02 1.68 1.01 0.30 -4.95 120.40 123.78 2hwf s VAL 198 Ca 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 2hwf s VAL 198 Cb -0.18 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.44 2hwf s VAL 198 CO -0.13 0.58 0.05 0.68 0.00 0.00 0.00 175.10 176.27 2hwf s VAL 199 N -0.61 -0.02 0.59 2.92 -7.23 -1.26 -1.87 120.40 112.93 2hwf s VAL 199 Ca 0.10 0.07 -0.11 0.00 -1.81 0.00 0.00 61.98 60.22 2hwf s VAL 199 Cb -0.12 -0.09 -0.05 0.00 0.56 0.00 0.00 36.38 36.69 2hwf s VAL 199 CO 0.02 0.03 1.00 -2.16 -0.31 0.00 0.00 175.10 173.68 2hwf s PRO 200 N 0.37 3.65 -0.00 4.82 0.04 -1.26 -4.89 135.00 137.73 2hwf s PRO 200 Ca -0.03 0.73 -0.00 0.00 0.04 0.00 0.00 61.00 61.75 2hwf s PRO 200 Cb -0.04 -2.12 -0.00 0.00 0.04 0.00 0.00 34.50 32.38 2hwf s PRO 200 CO -0.01 -0.49 0.00 -2.30 0.04 0.00 0.00 177.00 174.24 2hwf n PRO 201 N -2.51 0.00 -2.90 0.56 -0.02 -1.26 -3.55 135.00 125.32 2hwf n PRO 201 Ca 0.06 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.43 2hwf n PRO 201 Cb 0.54 -0.00 0.06 0.00 -0.02 0.00 0.00 33.50 34.08 2hwf n PRO 201 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2hwf n SER 202 N 0.00 -2.05 -4.01 2.55 7.64 -1.26 -5.02 113.62 111.47 2hwf n SER 202 Ca 0.00 -0.39 -0.12 0.00 1.01 0.00 0.00 58.87 59.37 2hwf n SER 202 Cb -0.00 -3.41 -0.12 0.00 -1.01 0.00 0.00 64.21 59.67 2hwf n SER 202 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2hwf s THR 203 N -3.23 0.36 0.85 0.44 2.01 -1.23 -5.14 115.64 109.70 2hwf s THR 203 Ca 0.00 -0.86 -0.10 0.00 0.31 0.00 0.00 61.69 61.04 2hwf s THR 203 Cb -0.00 -0.43 0.11 0.00 0.01 0.00 0.00 72.50 72.18 2hwf s THR 203 CO 0.46 -0.34 1.12 -2.84 -0.69 0.00 0.00 174.62 172.33 2hwf s PRO 204 N -1.27 1.57 0.00 4.92 0.02 -1.26 -4.95 135.00 134.03 2hwf s PRO 204 Ca -0.10 1.38 0.09 0.00 0.02 0.00 0.00 61.00 62.40 2hwf s PRO 204 Cb -0.08 -1.80 0.19 0.00 0.02 0.00 0.00 34.50 32.82 2hwf s PRO 204 CO -0.00 -2.19 1.05 1.04 -0.33 0.00 0.00 177.00 176.57 2hwf n GLN 205 N -3.92 1.84 -4.24 5.54 6.02 -1.26 -4.92 117.38 116.44 2hwf n GLN 205 Ca 0.11 -1.60 -0.19 0.00 -0.01 0.00 0.00 57.00 55.30 2hwf n GLN 205 Cb 0.52 -1.21 -0.12 0.00 1.02 0.00 0.00 30.24 30.46 2hwf n GLN 205 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2hwf s THR 206 N -0.92 1.37 0.09 5.09 -4.23 -1.26 -4.17 115.64 111.61 2hwf s THR 206 Ca 0.16 -1.61 -0.26 0.00 -1.18 0.00 0.00 61.69 58.81 2hwf s THR 206 Cb 0.09 -1.44 0.08 0.00 1.34 0.00 0.00 72.50 72.57 2hwf s THR 206 CO 0.13 -0.31 0.83 0.00 -0.54 0.00 0.00 174.62 174.73 2hwf s ALA 207 N -1.77 -1.69 0.27 3.99 0.00 -0.41 -5.00 121.76 117.16 2hwf s ALA 207 Ca 0.06 0.59 0.08 0.00 0.00 0.00 0.00 51.96 52.70 2hwf s ALA 207 Cb -0.07 0.61 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 2hwf s ALA 207 CO 0.03 -0.82 0.10 -0.51 0.00 0.00 0.00 175.76 174.57 2hwf s ASP 208 N -2.68 4.95 -0.03 0.00 1.11 -1.26 0.14 116.67 118.90 2hwf s ASP 208 Ca 0.06 -0.51 0.02 0.00 0.18 0.00 0.00 52.55 52.31 2hwf s ASP 208 Cb -0.01 -1.04 0.01 0.00 1.07 0.00 0.00 42.92 42.94 2hwf s ASP 208 CO -0.06 -0.06 -0.09 0.00 1.18 0.00 0.00 175.17 176.14 2hwf s MET 209 N -3.77 1.01 0.09 8.23 0.23 -0.53 -0.35 119.30 124.20 2hwf s MET 209 Ca 0.33 -0.29 -0.04 0.00 -1.03 0.00 0.00 55.69 54.67 2hwf s MET 209 Cb -0.06 -0.93 -0.05 0.00 -1.53 0.00 0.00 34.83 32.25 2hwf s MET 209 CO 0.22 0.08 0.30 -0.51 -2.03 0.00 0.00 175.02 173.09 2hwf s LEU 210 N 0.32 4.32 0.09 0.18 1.02 -0.46 -2.12 118.68 122.03 2hwf s LEU 210 Ca -0.05 0.49 0.06 0.00 0.02 0.00 0.00 54.13 54.64 2hwf s LEU 210 Cb -0.10 -3.06 -0.03 0.00 0.02 0.00 0.00 46.19 43.01 2hwf s LEU 210 CO 0.01 0.13 -0.15 0.00 0.02 0.00 0.00 176.35 176.36 2hwf s PHE 212 N -1.57 0.92 -0.14 0.00 0.40 0.23 -1.19 117.98 116.63 2hwf s PHE 212 Ca 0.03 -1.21 -0.05 0.00 -0.60 0.00 0.00 56.93 55.09 2hwf s PHE 212 Cb -0.08 -0.51 0.07 0.00 0.51 0.00 0.00 43.02 43.00 2hwf s PHE 212 CO 0.03 -0.49 0.29 0.54 0.70 0.00 0.00 175.22 176.29 2hwf s VAL 213 N -4.00 -0.45 0.37 -0.44 0.11 -1.13 0.74 120.40 115.59 2hwf s VAL 213 Ca 0.25 0.25 0.08 0.00 -2.93 0.00 0.00 61.98 59.63 2hwf s VAL 213 Cb 0.07 -0.49 -0.07 0.00 -1.53 0.00 0.00 36.38 34.36 2hwf s VAL 213 CO 0.03 0.10 -0.03 -0.94 -3.33 0.00 0.00 175.10 170.93 2hwf s SER 214 N 2.45 3.65 0.73 3.54 1.04 -0.94 -3.50 113.70 120.67 2hwf s SER 214 Ca 0.01 -1.30 -0.03 0.00 0.48 0.00 0.00 55.95 55.11 2hwf s SER 214 Cb -0.12 -0.35 0.10 0.00 0.10 0.00 0.00 66.02 65.75 2hwf s SER 214 CO -0.09 -0.37 0.66 0.00 0.98 0.00 0.00 173.24 174.42 2hwf n ALA 215 N -0.86 -0.22 -2.40 5.32 0.00 0.30 -2.45 120.51 120.19 2hwf n ALA 215 Ca -0.05 -1.12 -0.20 0.00 0.00 0.00 0.00 53.44 52.08 2hwf n ALA 215 Cb 0.65 0.11 -0.11 0.00 0.00 0.00 0.00 19.45 20.11 2hwf n ALA 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hwf n LYS 217 N -0.10 0.37 0.13 0.00 -0.00 -1.26 -2.13 118.16 115.17 2hwf n LYS 217 Ca -0.10 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.08 2hwf n LYS 217 Cb 0.59 -1.49 -0.08 0.00 -0.00 0.00 0.00 35.03 34.05 2hwf n LYS 217 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2hwf h ASP 218 N 0.00 -0.30 -1.21 -5.58 1.82 -1.93 -3.48 116.42 105.74 2hwf h ASP 218 Ca 0.00 -0.22 -0.42 0.00 -0.39 0.00 0.00 57.03 55.99 2hwf h ASP 218 Cb 0.00 0.08 0.11 0.00 0.68 0.00 0.00 39.33 40.20 2hwf h ASP 218 CO 0.00 0.11 -0.69 0.33 -1.61 0.00 0.00 179.24 177.38 2hwf n PHE 219 N -5.07 -1.60 0.00 0.28 7.35 -0.90 -4.57 117.46 112.95 2hwf n PHE 219 Ca -0.09 0.40 0.00 0.00 -0.76 0.00 0.00 57.45 57.00 2hwf n PHE 219 Cb 0.26 -1.21 0.00 0.00 0.35 0.00 0.00 39.48 38.89 2hwf n PHE 219 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2hwf s LEU 221 N 0.00 2.40 -0.04 0.00 1.02 -1.26 -1.04 118.68 119.76 2hwf s LEU 221 Ca 0.00 -1.37 -0.31 0.00 0.02 0.00 0.00 54.13 52.47 2hwf s LEU 221 Cb 0.00 -0.55 0.12 0.00 0.02 0.00 0.00 46.19 45.78 2hwf s LEU 221 CO 0.00 -0.55 1.24 0.00 0.02 0.00 0.00 176.35 177.06 2hwf s ARG 222 N -3.83 0.45 -0.26 1.70 1.70 -0.71 -4.99 118.95 112.99 2hwf s ARG 222 Ca 0.36 -0.23 -0.06 0.00 -0.47 0.00 0.00 55.73 55.33 2hwf s ARG 222 Cb 0.09 0.16 0.01 0.00 -0.57 0.00 0.00 34.95 34.64 2hwf s ARG 222 CO 0.16 -0.20 0.23 -0.12 -1.08 0.00 0.00 175.30 174.29 2hwf n MET 223 N -0.40 -2.08 -2.13 3.89 0.00 -1.26 -1.48 117.12 113.66 2hwf n MET 223 Ca -0.07 1.88 -0.38 0.00 0.00 0.00 0.00 57.70 59.14 2hwf n MET 223 Cb 0.62 -4.31 -0.00 0.00 0.00 0.00 0.00 33.22 29.52 2hwf n MET 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2hwf s ALA 224 N -1.68 3.07 0.14 -5.12 0.00 -1.26 -0.26 121.76 116.65 2hwf s ALA 224 Ca 0.09 1.09 -0.12 0.00 0.00 0.00 0.00 51.96 53.03 2hwf s ALA 224 Cb -0.03 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.66 2hwf s ALA 224 CO 0.55 -0.79 0.33 -0.98 0.00 0.00 0.00 175.76 174.87 2hwf s ARG 225 N -2.51 1.08 0.34 0.00 1.04 0.23 -4.83 118.95 114.31 2hwf s ARG 225 Ca 0.61 -0.94 -0.26 0.00 -1.04 0.00 0.00 55.73 54.10 2hwf s ARG 225 Cb -0.34 0.42 -0.09 0.00 -2.04 0.00 0.00 34.95 32.90 2hwf s ARG 225 CO 0.42 -0.40 1.04 -0.51 -0.04 0.00 0.00 175.30 175.80 2hwf s ASP 226 N -2.88 7.08 0.92 -2.89 1.11 -1.26 -4.07 116.67 114.68 2hwf s ASP 226 Ca 0.09 2.07 -0.10 0.00 0.18 0.00 0.00 52.55 54.78 2hwf s ASP 226 Cb 0.03 -2.60 0.15 0.00 1.07 0.00 0.00 42.92 41.57 2hwf s ASP 226 CO -0.07 -0.27 1.12 0.28 1.18 0.00 0.00 175.17 177.42 2hwf s THR 227 N -1.46 2.25 -0.19 -1.27 -1.32 -1.17 -4.79 115.64 107.70 2hwf s THR 227 Ca 0.51 0.08 -0.16 0.00 -1.21 0.00 0.00 61.69 60.92 2hwf s THR 227 Cb -0.25 -2.18 -0.11 0.00 -1.51 0.00 0.00 72.50 68.45 2hwf s THR 227 CO 0.32 -0.11 -0.06 0.47 -2.21 0.00 0.00 174.62 173.03 2hwf n ASP 228 N -4.21 1.86 -0.74 8.08 9.92 -1.24 -4.56 116.55 125.66 2hwf n ASP 228 Ca 0.10 0.49 0.00 0.00 -0.53 0.00 0.00 54.79 54.85 2hwf n ASP 228 Cb 0.53 -0.89 0.00 0.00 -0.64 0.00 0.00 41.12 40.11 2hwf n ASP 228 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2hwf n LEU 229 N -4.49 0.73 -3.15 0.64 4.32 -1.26 -4.54 117.00 109.25 2hwf n LEU 229 Ca -0.23 -0.36 0.05 0.00 -0.02 0.00 0.00 56.01 55.44 2hwf n LEU 229 Cb 0.52 -0.19 -0.00 0.00 -1.62 0.00 0.00 43.42 42.14 2hwf n LEU 229 CO 0.14 0.14 0.35 -2.28 -1.22 0.00 0.00 177.39 174.52 2hwf s HIS 230 N -0.22 -1.06 -0.30 -1.77 2.46 -1.26 -5.06 115.29 108.08 2hwf s HIS 230 Ca 0.00 0.73 -0.09 0.00 0.47 0.00 0.00 55.06 56.17 2hwf s HIS 230 Cb 0.00 0.22 -0.01 0.00 -0.13 0.00 0.00 32.58 32.66 2hwf s HIS 230 CO 0.00 -0.61 0.15 0.96 -2.47 0.00 0.00 174.74 172.77 2hwf s ILE 231 N 2.90 4.61 -1.18 0.89 -0.00 -1.26 -4.98 121.20 122.18 2hwf s ILE 231 Ca 0.17 -0.37 -0.13 0.00 -0.00 0.00 0.00 60.65 60.31 2hwf s ILE 231 Cb -0.07 -3.33 0.18 0.00 -0.00 0.00 0.00 42.46 39.25 2hwf s ILE 231 CO -0.22 0.10 1.37 -1.58 -0.00 0.00 0.00 174.94 174.61 2hwf s GLN 232 N 1.62 4.07 -1.22 0.37 2.00 -1.26 -4.78 119.66 120.46 2hwf s GLN 232 Ca 0.05 -2.61 -0.11 0.00 -2.00 0.00 0.00 55.36 50.68 2hwf s GLN 232 Cb -0.17 -4.99 0.19 0.00 0.80 0.00 0.00 33.01 28.84 2hwf s GLN 232 CO 0.06 -1.70 1.59 0.43 -0.50 0.00 0.00 175.29 175.17 2hwf n SER 233 N 5.32 5.27 0.00 6.67 7.64 -1.26 -4.61 113.62 132.65 2hwf n SER 233 Ca 0.34 -3.06 0.00 0.00 1.01 0.00 0.00 58.87 57.16 2hwf n SER 233 Cb 0.43 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.12 2hwf n SER 233 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hwf n GLY 234 N 3.32 4.68 2.50 0.23 0.00 -1.26 -5.02 105.19 109.63 2hwf n GLY 234 Ca 0.36 -1.59 -0.19 0.00 0.00 0.00 0.00 46.02 44.60 2hwf n GLY 234 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2hwf n PRO 235 N 0.00 -2.88 -3.55 1.61 -0.04 -1.26 -5.18 135.00 123.70 2hwf n PRO 235 Ca 0.00 -0.91 -0.37 0.00 -0.04 0.00 0.00 63.50 62.18 2hwf n PRO 235 Cb 0.00 -1.37 -0.09 0.00 -0.04 0.00 0.00 33.50 32.00 2hwf n PRO 235 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2hwf s ILE 236 N -1.82 5.29 0.00 0.52 2.07 -1.26 -5.11 121.20 120.89 2hwf s ILE 236 Ca 0.42 0.40 0.00 0.00 -1.41 0.00 0.00 60.65 60.06 2hwf s ILE 236 Cb -0.07 -3.60 0.00 0.00 0.13 0.00 0.00 42.46 38.92 2hwf s ILE 236 CO 0.35 0.31 0.00 1.21 -1.91 0.00 0.00 174.94 174.90 2hwf n GLU 237 N 4.34 3.48 0.00 3.50 4.07 -1.26 -5.29 120.64 129.48 2hwf n GLU 237 Ca -0.12 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.98 2hwf n GLU 237 Cb 0.52 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.90 2hwf n GLU 237 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11