#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wtm n GLY -1 N 0.00 0.26 3.75 5.00 0.00 0.84 -5.00 105.19 110.05 2wtm n GLY -1 Ca 0.00 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 2wtm n GLY -1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wtm s ALA 0 N -1.00 3.44 0.30 4.61 0.00 -1.26 -1.39 121.76 126.46 2wtm s ALA 0 Ca 0.00 0.99 -0.13 0.00 0.00 0.00 0.00 51.96 52.82 2wtm s ALA 0 Cb 0.00 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.74 2wtm s ALA 0 CO 0.00 -0.33 0.59 0.00 0.00 0.00 0.00 175.76 176.02 2wtm s MET 1 N -1.07 1.82 0.07 0.00 0.00 0.02 -4.94 119.30 115.19 2wtm s MET 1 Ca 0.48 -1.34 0.01 0.00 0.00 0.00 0.00 55.69 54.84 2wtm s MET 1 Cb -0.34 0.53 -0.04 0.00 0.00 0.00 0.00 34.83 34.98 2wtm s MET 1 CO 0.42 -0.79 -0.06 1.52 0.00 0.00 0.00 175.02 176.10 2wtm s TYR 2 N -3.44 0.74 -0.13 3.16 1.13 -1.26 -0.71 117.35 116.84 2wtm s TYR 2 Ca 0.20 -0.84 0.01 0.00 -1.41 0.00 0.00 57.07 55.04 2wtm s TYR 2 Cb -0.03 -0.45 0.02 0.00 -1.10 0.00 0.00 41.96 40.40 2wtm s TYR 2 CO 0.11 -0.18 -0.17 0.42 -2.51 0.00 0.00 175.55 173.22 2wtm s ILE 3 N -3.08 1.68 0.16 -3.49 1.01 0.10 -4.92 121.20 112.65 2wtm s ILE 3 Ca 0.05 -0.73 -0.17 0.00 0.00 0.00 0.00 60.65 59.79 2wtm s ILE 3 Cb 0.02 -1.53 -0.07 0.00 0.01 0.00 0.00 42.46 40.88 2wtm s ILE 3 CO -0.04 0.48 0.61 -0.62 0.00 0.00 0.00 174.94 175.36 2wtm s ASP 4 N 1.11 6.96 -0.26 3.58 -1.08 -1.26 -0.49 116.67 125.22 2wtm s ASP 4 Ca -0.03 1.23 -0.02 0.00 -0.52 0.00 0.00 52.55 53.22 2wtm s ASP 4 Cb -0.14 -2.35 0.12 0.00 -1.46 0.00 0.00 42.92 39.09 2wtm s ASP 4 CO -0.05 0.12 0.29 0.00 0.52 0.00 0.00 175.17 176.05 2wtm n ASP 6 N 5.32 -2.85 0.00 0.00 8.00 -1.26 -1.73 116.55 124.03 2wtm n ASP 6 Ca -0.03 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.64 2wtm n ASP 6 Cb 0.48 -3.83 0.00 0.00 -0.02 0.00 0.00 41.12 37.75 2wtm n ASP 6 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wtm n GLY 7 N -1.66 0.87 3.61 0.44 0.00 -1.26 -5.01 105.19 102.17 2wtm n GLY 7 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 2wtm n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wtm s ILE 8 N -3.44 4.10 -0.21 -0.61 1.09 -0.71 -5.10 121.20 116.33 2wtm s ILE 8 Ca 0.00 -0.31 -0.16 0.00 -1.10 0.00 0.00 60.65 59.07 2wtm s ILE 8 Cb 0.00 -2.74 -0.04 0.00 -1.06 0.00 0.00 42.46 38.62 2wtm s ILE 8 CO 0.00 0.57 0.43 -0.54 -0.10 0.00 0.00 174.94 175.30 2wtm s LYS 9 N -0.50 4.17 -0.36 2.79 3.01 -1.26 -1.03 119.74 126.56 2wtm s LYS 9 Ca 0.08 0.24 -0.16 0.00 -1.01 0.00 0.00 55.97 55.13 2wtm s LYS 9 Cb -0.12 -3.55 -0.01 0.00 -1.01 0.00 0.00 37.83 33.14 2wtm s LYS 9 CO 0.02 -0.08 0.39 -0.51 0.51 0.00 0.00 175.35 175.68 2wtm s LEU 10 N 1.43 4.51 0.31 3.17 1.43 0.35 -4.41 118.68 125.48 2wtm s LEU 10 Ca 0.20 -0.29 -0.29 0.00 -1.03 0.00 0.00 54.13 52.72 2wtm s LEU 10 Cb -0.15 -2.37 -0.10 0.00 0.03 0.00 0.00 46.19 43.61 2wtm s LEU 10 CO 0.08 -0.39 1.18 0.20 0.23 0.00 0.00 176.35 177.65 2wtm s ASN 11 N 1.75 7.01 0.14 2.29 0.01 -1.26 -0.72 114.94 124.15 2wtm s ASN 11 Ca 0.12 2.42 -0.13 0.00 -0.71 0.00 0.00 52.86 54.56 2wtm s ASN 11 Cb -0.17 -2.63 0.01 0.00 0.41 0.00 0.00 41.25 38.88 2wtm s ASN 11 CO 0.12 -0.34 0.34 0.00 -1.51 0.00 0.00 177.10 175.71 2wtm s ALA 12 N -1.19 -0.51 -0.07 0.60 0.00 0.12 -1.16 121.76 119.55 2wtm s ALA 12 Ca 0.47 -0.44 0.04 0.00 0.00 0.00 0.00 51.96 52.04 2wtm s ALA 12 Cb -0.34 0.71 -0.00 0.00 0.00 0.00 0.00 23.12 23.49 2wtm s ALA 12 CO 0.45 -0.64 -0.19 0.71 0.00 0.00 0.00 175.76 176.09 2wtm s TYR 13 N -3.87 2.00 -0.22 0.00 2.02 0.01 -0.80 117.35 116.48 2wtm s TYR 13 Ca 0.08 -0.69 -0.06 0.00 -0.37 0.00 0.00 57.07 56.03 2wtm s TYR 13 Cb 0.02 -1.36 -0.03 0.00 -0.40 0.00 0.00 41.96 40.20 2wtm s TYR 13 CO -0.07 -0.26 0.04 -1.17 -1.57 0.00 0.00 175.55 172.51 2wtm s LEU 14 N 0.22 3.40 -0.10 -1.29 2.96 -0.48 -1.16 118.68 122.22 2wtm s LEU 14 Ca -0.10 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 53.65 2wtm s LEU 14 Cb -0.15 -1.89 0.01 0.00 0.50 0.00 0.00 46.19 44.67 2wtm s LEU 14 CO 0.05 0.03 -0.17 -1.81 -1.32 0.00 0.00 176.35 173.12 2wtm s ASP 15 N 1.24 2.53 0.19 3.68 1.01 -0.37 -0.11 116.67 124.85 2wtm s ASP 15 Ca 0.04 -0.45 -0.01 0.00 0.71 0.00 0.00 52.55 52.84 2wtm s ASP 15 Cb -0.15 -1.15 -0.04 0.00 1.01 0.00 0.00 42.92 42.59 2wtm s ASP 15 CO 0.02 0.06 0.39 -0.04 0.21 0.00 0.00 175.17 175.81 2wtm s MET 16 N 0.76 3.53 0.94 8.23 -1.94 -1.26 -0.83 119.30 128.74 2wtm s MET 16 Ca -0.11 -0.31 -0.11 0.00 -1.71 0.00 0.00 55.69 53.45 2wtm s MET 16 Cb -0.16 -2.84 0.16 0.00 2.01 0.00 0.00 34.83 34.00 2wtm s MET 16 CO 0.02 0.41 1.10 -2.14 -0.01 0.00 0.00 175.02 174.40 2wtm s PRO 17 N -3.23 0.83 0.28 2.03 0.02 -1.26 -4.82 135.00 128.85 2wtm s PRO 17 Ca 0.39 1.20 -0.30 0.00 0.02 0.00 0.00 61.00 62.30 2wtm s PRO 17 Cb -0.11 -1.73 -0.12 0.00 0.02 0.00 0.00 34.50 32.55 2wtm s PRO 17 CO 0.28 -2.65 1.47 0.36 -0.33 0.00 0.00 177.00 176.14 2wtm n LYS 18 N -4.21 2.34 0.00 5.54 0.00 -1.26 -2.69 118.16 117.87 2wtm n LYS 18 Ca 0.09 0.83 0.00 0.00 -0.00 0.00 0.00 58.31 59.23 2wtm n LYS 18 Cb 0.53 -2.53 0.00 0.00 -0.00 0.00 0.00 35.03 33.03 2wtm n LYS 18 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 2wtm n ASN 19 N 1.90 0.00 -3.89 -5.58 0.23 -1.26 -4.57 115.26 102.09 2wtm n ASN 19 Ca 0.09 0.00 -0.37 0.00 -0.53 0.00 0.00 54.58 53.77 2wtm n ASN 19 Cb 0.34 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.07 2wtm n ASN 19 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2wtm n ASN 20 N 0.00 -4.72 -4.64 0.53 5.03 -1.10 -4.81 115.26 105.55 2wtm n ASN 20 Ca 0.00 -1.12 -0.44 0.00 0.87 0.00 0.00 54.58 53.89 2wtm n ASN 20 Cb 0.00 -2.19 -0.02 0.00 -1.02 0.00 0.00 39.78 36.55 2wtm n ASN 20 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 2wtm n PRO 21 N -4.19 1.76 -0.30 3.52 -0.04 -1.26 -4.90 135.00 129.58 2wtm n PRO 21 Ca -0.15 0.62 0.02 0.00 -0.04 0.00 0.00 63.50 63.95 2wtm n PRO 21 Cb 0.60 -2.15 0.15 0.00 -0.04 0.00 0.00 33.50 32.06 2wtm n PRO 21 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2wtm h GLU 22 N 2.93 0.87 -3.69 0.54 9.09 -1.95 -3.43 114.58 118.94 2wtm h GLU 22 Ca -0.43 -0.05 -0.35 0.00 0.05 0.00 0.00 59.36 58.57 2wtm h GLU 22 Cb 1.31 -0.20 -0.35 0.00 -1.65 0.00 0.00 28.75 27.86 2wtm h GLU 22 CO 0.66 0.58 -0.75 0.15 0.05 0.00 0.00 179.01 179.70 2wtm s LYS 23 N -6.05 0.30 0.19 1.06 -0.14 -1.26 -4.35 119.74 109.49 2wtm s LYS 23 Ca -0.12 0.09 -0.23 0.00 -1.36 0.00 0.00 55.97 54.35 2wtm s LYS 23 Cb 0.19 -0.52 0.06 0.00 -1.68 0.00 0.00 37.83 35.88 2wtm s LYS 23 CO 0.79 -0.16 0.65 0.00 -0.76 0.00 0.00 175.35 175.87 2wtm s PRO 25 N -3.77 1.32 -0.03 0.00 0.02 -1.26 -1.34 135.00 129.95 2wtm s PRO 25 Ca 0.04 0.77 0.01 0.00 0.02 0.00 0.00 61.00 61.84 2wtm s PRO 25 Cb -0.02 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.69 2wtm s PRO 25 CO -0.07 -2.18 -0.05 -1.17 -0.33 0.00 0.00 177.00 173.20 2wtm s LEU 26 N -6.17 1.61 -0.21 -5.54 2.96 -0.17 -0.99 118.68 110.16 2wtm s LEU 26 Ca 0.63 -0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 54.39 2wtm s LEU 26 Cb -0.17 -0.37 -0.01 0.00 0.50 0.00 0.00 46.19 46.13 2wtm s LEU 26 CO 0.56 -0.00 -0.03 0.00 -1.32 0.00 0.00 176.35 175.57 2wtm s ILE 28 N 1.28 4.88 -0.16 0.00 1.01 0.12 -0.89 121.20 127.43 2wtm s ILE 28 Ca 0.03 1.94 0.01 0.00 0.00 0.00 0.00 60.65 62.63 2wtm s ILE 28 Cb -0.14 -4.27 0.02 0.00 0.01 0.00 0.00 42.46 38.08 2wtm s ILE 28 CO -0.01 0.13 -0.17 -0.63 0.00 0.00 0.00 174.94 174.26 2wtm s ILE 29 N 1.29 1.80 -0.31 2.92 1.01 0.06 -0.77 121.20 127.21 2wtm s ILE 29 Ca 0.48 -0.78 -0.01 0.00 0.00 0.00 0.00 60.65 60.34 2wtm s ILE 29 Cb -0.20 -1.65 0.06 0.00 0.01 0.00 0.00 42.46 40.69 2wtm s ILE 29 CO 0.23 0.50 0.01 -0.63 0.00 0.00 0.00 174.94 175.04 2wtm s ILE 30 N 1.32 2.85 0.99 2.92 -1.09 0.12 -1.25 121.20 127.06 2wtm s ILE 30 Ca 0.03 -1.55 -0.12 0.00 -2.23 0.00 0.00 60.65 56.78 2wtm s ILE 30 Cb -0.13 -2.70 0.18 0.00 -1.58 0.00 0.00 42.46 38.23 2wtm s ILE 30 CO -0.10 -0.18 1.10 -1.38 -1.23 0.00 0.00 174.94 173.15 2wtm s HIS 31 N 1.20 2.16 0.06 3.97 -3.43 -1.26 -1.90 115.29 116.09 2wtm s HIS 31 Ca -0.04 0.95 -0.00 0.00 -0.80 0.00 0.00 55.06 55.17 2wtm s HIS 31 Cb -0.20 -3.29 0.01 0.00 -1.43 0.00 0.00 32.58 27.67 2wtm s HIS 31 CO -0.02 -2.84 0.08 0.41 -2.00 0.00 0.00 174.74 170.37 2wtm n GLY 32 N -1.29 0.16 3.64 -1.38 0.00 -1.15 -3.85 105.19 101.32 2wtm n GLY 32 Ca 0.05 -1.87 -0.43 0.00 0.00 0.00 0.00 46.02 43.77 2wtm n GLY 32 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2wtm s PHE 33 N -0.37 3.11 0.00 1.61 5.36 -1.26 -2.26 117.98 124.17 2wtm s PHE 33 Ca 0.05 1.16 0.00 0.00 -0.96 0.00 0.00 56.93 57.18 2wtm s PHE 33 Cb -0.00 -3.74 0.00 0.00 -0.34 0.00 0.00 43.02 38.94 2wtm s PHE 33 CO 0.03 -0.84 0.00 0.25 -1.46 0.00 0.00 175.22 173.20 2wtm n THR 34 N 5.93 0.00 -0.45 0.12 -2.24 -1.26 -5.02 114.28 111.36 2wtm n THR 34 Ca 0.12 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.80 2wtm n THR 34 Cb 0.47 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.79 2wtm n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wtm n GLY 35 N -1.99 -3.02 3.14 3.38 0.00 -0.96 -5.10 105.19 100.64 2wtm n GLY 35 Ca 0.00 -1.38 -0.11 0.00 0.00 0.00 0.00 46.02 44.52 2wtm n GLY 35 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wtm s HIS 36 N -1.54 0.01 0.46 1.61 0.09 -1.26 -4.85 115.29 109.82 2wtm s HIS 36 Ca 0.23 -0.10 0.28 0.00 -0.00 0.00 0.00 55.06 55.46 2wtm s HIS 36 Cb -0.03 -0.02 1.56 0.00 -0.00 0.00 0.00 32.58 34.09 2wtm s HIS 36 CO 0.18 -0.33 2.13 0.77 -0.00 0.00 0.00 174.74 177.48 2wtm h SER 37 N 4.03 0.00 -0.06 1.40 0.02 -1.96 -2.48 113.55 114.49 2wtm h SER 37 Ca -0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2wtm h SER 37 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2wtm h SER 37 CO 0.42 0.08 0.00 -0.62 -1.14 0.00 0.00 176.83 175.58 2wtm n GLU 38 N -3.69 1.66 -1.96 3.45 4.71 -1.26 -4.32 120.64 119.23 2wtm n GLU 38 Ca -0.02 -0.96 -0.34 0.00 -0.01 0.00 0.00 57.16 55.83 2wtm n GLU 38 Cb 0.19 -1.46 0.03 0.00 -1.01 0.00 0.00 31.44 29.20 2wtm n GLU 38 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 2wtm s GLU 39 N -1.94 2.98 0.22 3.49 -1.05 -0.94 -4.77 118.70 116.69 2wtm s GLU 39 Ca 0.37 1.56 -0.08 0.00 -0.15 0.00 0.00 54.97 56.66 2wtm s GLU 39 Cb 0.20 -1.96 0.33 0.00 -0.44 0.00 0.00 34.13 32.26 2wtm s GLU 39 CO 0.32 -1.14 1.72 0.07 0.95 0.00 0.00 175.26 177.18 2wtm h ARG 40 N 0.56 0.32 -0.20 -4.83 0.11 -1.92 -0.92 114.38 107.50 2wtm h ARG 40 Ca -0.49 -0.02 -0.05 0.00 0.10 0.00 0.00 59.98 59.53 2wtm h ARG 40 Cb 1.26 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 32.26 2wtm h ARG 40 CO 0.55 0.21 -0.09 1.12 0.10 0.00 0.00 179.97 181.86 2wtm h HIS 41 N 0.33 0.32 0.04 4.08 2.07 -1.92 -1.77 115.15 118.29 2wtm h HIS 41 Ca 0.34 -0.03 -0.14 0.00 -2.85 0.00 0.00 60.37 57.69 2wtm h HIS 41 Cb 0.49 -0.09 0.01 0.00 2.57 0.00 0.00 27.41 30.39 2wtm h HIS 41 CO -0.21 0.40 -0.56 0.82 -3.07 0.00 0.00 177.93 175.31 2wtm h ILE 42 N 0.29 1.49 -0.57 6.12 1.08 -1.58 -3.21 117.51 121.13 2wtm h ILE 42 Ca 0.06 -2.19 -0.08 0.00 -0.39 0.00 0.00 64.86 62.26 2wtm h ILE 42 Cb 0.36 2.84 -0.02 0.00 -3.07 0.00 0.00 36.82 36.92 2wtm h ILE 42 CO 0.02 0.62 0.04 0.58 -0.69 0.00 0.00 178.15 178.72 2wtm h VAL 43 N -0.30 1.25 -0.76 1.67 2.07 -1.10 -0.60 116.25 118.48 2wtm h VAL 43 Ca -0.08 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 2wtm h VAL 43 Cb 1.32 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 2wtm h VAL 43 CO 0.11 0.38 0.42 0.00 0.02 0.00 0.00 177.57 178.49 2wtm h ALA 44 N 1.15 0.98 -0.56 1.67 0.00 -1.43 0.22 119.26 121.29 2wtm h ALA 44 Ca 0.17 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2wtm h ALA 44 Cb 0.46 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2wtm h ALA 44 CO 0.02 0.49 -0.05 0.28 0.00 0.00 0.00 179.25 179.99 2wtm h VAL 45 N 1.05 1.26 0.11 0.00 2.07 -1.43 -2.10 116.25 117.22 2wtm h VAL 45 Ca 0.27 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.60 2wtm h VAL 45 Cb 0.03 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2wtm h VAL 45 CO -0.04 0.42 -0.07 -0.61 0.02 0.00 0.00 177.57 177.29 2wtm h GLN 46 N 0.91 -0.17 -0.65 1.57 -0.00 -0.58 -1.25 115.11 114.94 2wtm h GLN 46 Ca 0.15 0.01 -0.05 0.00 -0.00 0.00 0.00 58.65 58.76 2wtm h GLN 46 Cb 0.59 0.04 -0.03 0.00 0.00 0.00 0.00 27.48 28.08 2wtm h GLN 46 CO 0.04 -0.11 0.19 0.93 0.00 0.00 0.00 178.83 179.87 2wtm h GLU 47 N -0.18 0.99 -0.52 1.69 5.08 -0.97 -1.18 114.58 119.51 2wtm h GLU 47 Ca -0.01 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 2wtm h GLU 47 Cb 0.15 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2wtm h GLU 47 CO 0.01 0.86 0.24 1.15 -1.00 0.00 0.00 179.01 180.27 2wtm h THR 48 N 0.96 1.20 -0.35 1.13 2.02 -1.15 -0.87 112.91 115.85 2wtm h THR 48 Ca 0.21 -0.59 -0.03 0.00 0.77 0.00 0.00 66.41 66.77 2wtm h THR 48 Cb 0.30 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 2wtm h THR 48 CO -0.01 0.23 0.11 -0.07 0.37 0.00 0.00 175.52 176.16 2wtm h LEU 49 N 0.69 0.50 -0.94 2.58 3.38 -0.93 -2.75 115.31 117.84 2wtm h LEU 49 Ca 0.18 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.98 2wtm h LEU 49 Cb 0.14 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 2wtm h LEU 49 CO -0.02 0.57 0.61 0.78 0.09 0.00 0.00 178.44 180.48 2wtm h ASN 50 N 0.41 1.03 -0.02 -0.43 -0.26 -0.82 -1.53 115.58 113.96 2wtm h ASN 50 Ca 0.11 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.82 2wtm h ASN 50 Cb 0.25 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.26 2wtm h ASN 50 CO -0.00 0.71 -0.04 -0.33 -1.06 0.00 0.00 177.43 176.70 2wtm h GLU 51 N 1.20 0.16 -0.64 0.81 5.08 -0.89 -1.52 114.58 118.77 2wtm h GLU 51 Ca 0.37 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 2wtm h GLU 51 Cb -0.01 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2wtm h GLU 51 CO -0.12 0.22 0.00 0.44 -1.00 0.00 0.00 179.01 178.55 2wtm n ILE 52 N -4.40 1.65 -0.69 3.13 -5.35 -0.88 -4.93 119.36 107.90 2wtm n ILE 52 Ca -0.01 -0.96 0.00 0.00 -0.27 0.00 0.00 62.75 61.51 2wtm n ILE 52 Cb 0.18 -0.10 0.00 0.00 -1.74 0.00 0.00 39.64 37.98 2wtm n ILE 52 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wtm n GLY 53 N 0.78 0.62 3.54 3.28 0.00 -0.57 -5.04 105.19 107.80 2wtm n GLY 53 Ca 0.20 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 2wtm n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wtm s VAL 54 N -2.00 5.23 0.66 1.61 1.01 -0.63 -4.29 120.40 121.99 2wtm s VAL 54 Ca 0.00 -0.10 -0.16 0.00 0.00 0.00 0.00 61.98 61.72 2wtm s VAL 54 Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.77 2wtm s VAL 54 CO 0.00 0.09 1.17 0.00 0.00 0.00 0.00 175.10 176.36 2wtm s ALA 55 N 1.73 2.37 0.03 5.51 0.00 -0.16 -2.71 121.76 128.52 2wtm s ALA 55 Ca 0.06 0.79 0.05 0.00 0.00 0.00 0.00 51.96 52.87 2wtm s ALA 55 Cb -0.17 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 2wtm s ALA 55 CO 0.10 -1.43 -0.15 0.95 0.00 0.00 0.00 175.76 175.23 2wtm s THR 56 N -2.00 1.18 -0.37 0.00 -4.23 -0.01 -0.68 115.64 109.54 2wtm s THR 56 Ca 0.72 -0.95 0.03 0.00 -1.18 0.00 0.00 61.69 60.32 2wtm s THR 56 Cb -0.26 -1.05 0.11 0.00 1.34 0.00 0.00 72.50 72.64 2wtm s THR 56 CO 0.40 0.09 0.10 -0.22 -0.54 0.00 0.00 174.62 174.45 2wtm s LEU 57 N -0.99 4.35 -0.09 4.79 2.96 -0.07 -1.23 118.68 128.40 2wtm s LEU 57 Ca 0.03 -2.27 -0.27 0.00 -0.22 0.00 0.00 54.13 51.40 2wtm s LEU 57 Cb -0.07 -1.53 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 2wtm s LEU 57 CO 0.01 -0.35 0.89 -0.13 -1.32 0.00 0.00 176.35 175.45 2wtm s ARG 58 N 0.75 4.42 0.01 1.98 0.52 -0.31 -0.76 118.95 125.57 2wtm s ARG 58 Ca 0.12 1.20 0.01 0.00 -0.52 0.00 0.00 55.73 56.54 2wtm s ARG 58 Cb -0.20 -3.51 -0.01 0.00 0.52 0.00 0.00 34.95 31.74 2wtm s ARG 58 CO -0.08 -0.18 -0.04 0.00 0.02 0.00 0.00 175.30 175.01 2wtm s ALA 59 N 1.58 0.32 0.19 2.13 0.00 -0.38 -0.81 121.76 124.79 2wtm s ALA 59 Ca 0.44 -0.38 -0.30 0.00 0.00 0.00 0.00 51.96 51.73 2wtm s ALA 59 Cb -0.18 -0.00 -0.08 0.00 0.00 0.00 0.00 23.12 22.85 2wtm s ALA 59 CO 0.19 0.00 1.27 -0.51 0.00 0.00 0.00 175.76 176.71 2wtm s ASP 60 N -0.70 6.97 0.00 0.00 1.01 -0.31 -3.99 116.67 119.64 2wtm s ASP 60 Ca -0.05 2.33 0.15 0.00 0.71 0.00 0.00 52.55 55.69 2wtm s ASP 60 Cb -0.05 -2.61 0.51 0.00 1.01 0.00 0.00 42.92 41.78 2wtm s ASP 60 CO -0.00 -0.47 1.39 1.15 0.21 0.00 0.00 175.17 177.44 2wtm n MET 61 N 2.66 1.75 -3.84 8.23 0.00 -1.26 -4.64 117.12 120.01 2wtm n MET 61 Ca 0.06 -1.15 -0.09 0.00 0.00 0.00 0.00 57.70 56.51 2wtm n MET 61 Cb 0.44 -1.32 -0.06 0.00 0.00 0.00 0.00 33.22 32.27 2wtm n MET 61 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 175.97 177.49 2wtm s TYR 62 N -1.66 0.15 0.78 3.17 -0.85 -1.26 -4.29 117.35 113.40 2wtm s TYR 62 Ca 0.27 -0.52 -0.12 0.00 -0.52 0.00 0.00 57.07 56.18 2wtm s TYR 62 Cb 0.14 0.07 0.06 0.00 0.38 0.00 0.00 41.96 42.62 2wtm s TYR 62 CO 0.20 -0.71 1.15 0.20 -1.52 0.00 0.00 175.55 174.87 2wtm s GLY 63 N -2.90 1.60 -0.56 5.49 0.00 -1.26 -4.65 107.32 105.05 2wtm s GLY 63 Ca 0.10 -0.54 0.04 0.00 0.00 0.00 0.00 44.72 44.33 2wtm s GLY 63 CO -0.05 -0.08 0.41 0.30 0.00 0.00 0.00 173.10 173.68 2wtm s HIS 64 N -3.49 2.34 0.00 1.90 4.02 -1.26 -5.09 115.29 113.71 2wtm s HIS 64 Ca 0.61 -2.83 0.00 0.00 1.02 0.00 0.00 55.06 53.86 2wtm s HIS 64 Cb -0.11 -1.83 0.00 0.00 -1.02 0.00 0.00 32.58 29.62 2wtm s HIS 64 CO 0.50 -0.69 0.00 -3.47 1.02 0.00 0.00 174.74 172.10 2wtm n ASP 73 N 2.44 0.00 -4.74 1.40 2.03 -1.26 -5.06 116.55 111.36 2wtm n ASP 73 Ca 0.24 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 55.14 2wtm n ASP 73 Cb 0.41 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.78 2wtm n ASP 73 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2wtm s HIS 74 N 0.00 3.21 0.11 -0.67 3.76 -1.26 -4.94 115.29 115.50 2wtm s HIS 74 Ca 0.00 1.17 -0.01 0.00 -0.15 0.00 0.00 55.06 56.08 2wtm s HIS 74 Cb 0.00 -3.65 -0.04 0.00 1.11 0.00 0.00 32.58 30.00 2wtm s HIS 74 CO 0.00 -2.05 0.02 0.95 -0.85 0.00 0.00 174.74 172.81 2wtm s THR 75 N 0.11 0.22 0.44 1.30 -4.23 -1.26 -3.96 115.64 108.26 2wtm s THR 75 Ca 0.57 -1.89 0.31 0.00 -1.18 0.00 0.00 61.69 59.50 2wtm s THR 75 Cb -0.38 -1.90 0.34 0.00 1.34 0.00 0.00 72.50 71.90 2wtm s THR 75 CO 0.39 -0.62 2.13 -0.07 -0.54 0.00 0.00 174.62 175.91 2wtm h LEU 76 N 2.93 0.00 -0.36 4.79 3.38 -1.92 -1.09 115.31 123.04 2wtm h LEU 76 Ca -0.35 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.43 2wtm h LEU 76 Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 2wtm h LEU 76 CO 0.62 0.07 -0.71 -0.26 0.09 0.00 0.00 178.44 178.24 2wtm h PHE 77 N 0.00 0.70 -0.25 1.13 0.04 -1.96 -0.26 116.94 116.35 2wtm h PHE 77 Ca -0.00 -0.30 -0.06 0.00 2.80 0.00 0.00 57.97 60.41 2wtm h PHE 77 Cb 0.26 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 2wtm h PHE 77 CO 0.00 1.07 -0.07 0.87 -0.60 0.00 0.00 178.31 179.59 2wtm h LYS 78 N 0.37 0.48 -0.62 1.51 1.57 -1.78 -1.93 116.57 116.16 2wtm h LYS 78 Ca -0.03 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.51 2wtm h LYS 78 Cb 1.30 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.56 2wtm h LYS 78 CO 0.13 0.71 0.17 -1.49 -0.57 0.00 0.00 179.45 178.40 2wtm h TRP 79 N 0.22 1.02 -0.53 -1.35 6.55 -1.16 -0.45 115.95 120.24 2wtm h TRP 79 Ca 0.06 -0.11 -0.09 0.00 0.95 0.00 0.00 58.89 59.70 2wtm h TRP 79 Cb 0.54 -0.29 -0.02 0.00 -0.86 0.00 0.00 29.16 28.53 2wtm h TRP 79 CO 0.05 0.84 -0.02 -0.07 -1.05 0.00 0.00 178.44 178.20 2wtm h LEU 80 N 0.90 0.94 -0.66 -4.49 3.38 -1.07 0.11 115.31 114.41 2wtm h LEU 80 Ca 0.20 -0.32 0.09 0.00 0.09 0.00 0.00 57.88 57.94 2wtm h LEU 80 Cb 0.32 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 2wtm h LEU 80 CO -0.00 1.03 0.31 0.74 0.09 0.00 0.00 178.44 180.60 2wtm h THR 81 N 0.83 0.83 -0.47 0.22 2.02 -0.83 0.24 112.91 115.75 2wtm h THR 81 Ca 0.15 -0.18 -0.09 0.00 0.77 0.00 0.00 66.41 67.06 2wtm h THR 81 Cb 0.56 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 2wtm h THR 81 CO 0.03 0.10 -0.05 0.78 0.37 0.00 0.00 175.52 176.75 2wtm h ASN 82 N 0.53 0.86 0.11 4.18 2.35 -0.70 -2.17 115.58 120.73 2wtm h ASN 82 Ca 0.33 -0.33 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 2wtm h ASN 82 Cb 0.35 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 2wtm h ASN 82 CO -0.27 0.99 -0.27 0.40 -1.65 0.00 0.00 177.43 176.63 2wtm h ILE 83 N 0.71 1.25 -0.55 2.81 2.04 -0.46 -1.01 117.51 122.31 2wtm h ILE 83 Ca 0.13 -1.17 -0.01 0.00 1.00 0.00 0.00 64.86 64.81 2wtm h ILE 83 Cb 0.58 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 2wtm h ILE 83 CO 0.03 0.36 0.29 -0.07 0.00 0.00 0.00 178.15 178.76 2wtm h LEU 84 N 0.24 0.67 -0.76 1.44 3.38 -0.65 0.04 115.31 119.67 2wtm h LEU 84 Ca 0.04 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2wtm h LEU 84 Cb 0.60 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2wtm h LEU 84 CO 0.04 0.55 -0.18 0.00 0.09 0.00 0.00 178.44 178.95 2wtm h ALA 85 N 1.56 0.94 -0.45 1.53 0.00 -0.59 -0.47 119.26 121.78 2wtm h ALA 85 Ca 0.19 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2wtm h ALA 85 Cb 0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2wtm h ALA 85 CO -0.03 0.61 0.17 0.28 0.00 0.00 0.00 179.25 180.29 2wtm h VAL 86 N 0.67 1.21 -0.60 0.00 2.07 -0.57 -1.61 116.25 117.41 2wtm h VAL 86 Ca 0.10 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.93 2wtm h VAL 86 Cb 0.67 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 2wtm h VAL 86 CO 0.05 0.24 0.18 0.58 0.02 0.00 0.00 177.57 178.63 2wtm h VAL 87 N 0.58 1.24 -0.38 2.57 2.07 -0.74 -1.19 116.25 120.40 2wtm h VAL 87 Ca 0.15 -0.84 -0.07 0.00 0.82 0.00 0.00 66.70 66.75 2wtm h VAL 87 Cb 0.20 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 2wtm h VAL 87 CO -0.01 0.32 -0.05 0.44 0.02 0.00 0.00 177.57 178.29 2wtm h ASP 88 N 0.85 0.61 -0.13 0.57 3.32 -0.87 -0.25 116.42 120.52 2wtm h ASP 88 Ca 0.19 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2wtm h ASP 88 Cb 0.30 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2wtm h ASP 88 CO -0.00 0.71 0.03 0.22 -1.72 0.00 0.00 179.24 178.47 2wtm h TYR 89 N 0.59 0.22 -0.95 4.55 3.20 -1.11 -3.17 116.97 120.31 2wtm h TYR 89 Ca 0.12 -0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.98 2wtm h TYR 89 Cb 0.45 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.60 2wtm h TYR 89 CO 0.02 0.38 0.63 0.00 -1.64 0.00 0.00 178.16 177.55 2wtm h ALA 90 N 0.82 1.36 0.00 1.82 0.00 -0.52 -1.88 119.26 120.85 2wtm h ALA 90 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wtm h ALA 90 Cb 0.27 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2wtm h ALA 90 CO 0.00 0.57 0.00 0.87 0.00 0.00 0.00 179.25 180.70 2wtm h LYS 91 N 1.24 0.00 -0.00 0.00 1.57 -1.04 -2.16 116.57 116.18 2wtm h LYS 91 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 2wtm h LYS 91 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2wtm h LYS 91 CO -0.10 0.00 -0.57 1.63 -0.57 0.00 0.00 179.45 179.85 2wtm n LYS 92 N -2.99 0.22 -2.28 3.15 5.02 -0.71 -4.92 118.16 115.66 2wtm n LYS 92 Ca -0.02 -0.15 -0.42 0.00 -2.02 0.00 0.00 58.31 55.70 2wtm n LYS 92 Cb 0.11 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.60 2wtm n LYS 92 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wtm s LEU 93 N -2.88 4.35 0.30 -0.35 1.43 -0.81 -4.91 118.68 115.81 2wtm s LEU 93 Ca 0.13 2.14 0.02 0.00 -1.03 0.00 0.00 54.13 55.40 2wtm s LEU 93 Cb 0.17 -3.58 0.49 0.00 0.03 0.00 0.00 46.19 43.31 2wtm s LEU 93 CO 0.70 -0.61 1.81 -2.24 0.23 0.00 0.00 176.35 176.24 2wtm h ASP 94 N 7.12 0.56 1.32 2.29 -0.00 -1.91 -2.62 116.42 123.18 2wtm h ASP 94 Ca -0.40 -0.13 0.00 0.00 -0.00 0.00 0.00 57.03 56.50 2wtm h ASP 94 Cb 1.20 -0.15 0.00 0.00 -0.00 0.00 0.00 39.33 40.38 2wtm h ASP 94 CO 0.86 0.67 0.00 2.19 -0.00 0.00 0.00 179.24 182.96 2wtm h PHE 95 N 0.55 0.00 -3.42 4.15 -5.15 -1.91 -3.47 116.94 107.69 2wtm h PHE 95 Ca 0.11 0.00 -0.52 0.00 -0.20 0.00 0.00 57.97 57.36 2wtm h PHE 95 Cb 0.44 0.00 0.02 0.00 0.22 0.00 0.00 35.95 36.62 2wtm h PHE 95 CO 0.02 0.00 0.56 0.08 -2.00 0.00 0.00 178.31 176.97 2wtm s VAL 96 N -3.20 3.65 0.00 0.88 1.01 -0.99 -1.52 120.40 120.22 2wtm s VAL 96 Ca 0.08 1.34 0.00 0.00 0.00 0.00 0.00 61.98 63.40 2wtm s VAL 96 Cb 0.10 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2wtm s VAL 96 CO 0.55 0.19 0.00 0.35 0.00 0.00 0.00 175.10 176.19 2wtm n THR 97 N 2.80 0.00 -3.52 3.92 -2.24 -0.45 -4.87 114.28 109.92 2wtm n THR 97 Ca 0.05 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.51 2wtm n THR 97 Cb 0.45 -0.41 -0.05 0.00 -2.10 0.00 0.00 70.33 68.22 2wtm n THR 97 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2wtm s ASP 98 N -1.00 6.59 -0.13 3.42 1.01 -1.26 -4.95 116.67 120.35 2wtm s ASP 98 Ca 0.00 0.80 -0.00 0.00 0.71 0.00 0.00 52.55 54.06 2wtm s ASP 98 Cb 0.00 -2.18 -0.01 0.00 1.01 0.00 0.00 42.92 41.74 2wtm s ASP 98 CO 0.00 0.01 -0.13 -0.63 0.21 0.00 0.00 175.17 174.63 2wtm s ILE 99 N -1.68 2.99 0.27 0.77 1.01 -1.26 -1.00 121.20 122.30 2wtm s ILE 99 Ca 0.43 -0.68 0.10 0.00 0.00 0.00 0.00 60.65 60.50 2wtm s ILE 99 Cb -0.12 -2.26 -0.05 0.00 0.01 0.00 0.00 42.46 40.05 2wtm s ILE 99 CO 0.22 0.52 -0.04 -0.31 0.00 0.00 0.00 174.94 175.33 2wtm s TYR 100 N 0.43 2.60 0.03 3.97 2.02 0.15 -0.30 117.35 126.24 2wtm s TYR 100 Ca -0.10 -0.26 0.05 0.00 -0.37 0.00 0.00 57.07 56.39 2wtm s TYR 100 Cb -0.16 -1.18 -0.02 0.00 -0.40 0.00 0.00 41.96 40.21 2wtm s TYR 100 CO 0.05 0.63 -0.15 -1.64 -1.57 0.00 0.00 175.55 172.86 2wtm s MET 101 N -3.65 1.09 -0.01 -0.62 -1.94 -0.98 -0.70 119.30 112.49 2wtm s MET 101 Ca 0.31 -0.73 -0.09 0.00 -1.71 0.00 0.00 55.69 53.48 2wtm s MET 101 Cb -0.06 -1.11 0.01 0.00 2.01 0.00 0.00 34.83 35.69 2wtm s MET 101 CO 0.19 0.28 0.18 0.00 -0.01 0.00 0.00 175.02 175.67 2wtm s ALA 102 N -0.70 -0.45 0.06 3.03 0.00 0.05 -0.35 121.76 123.40 2wtm s ALA 102 Ca 0.04 0.06 -0.26 0.00 0.00 0.00 0.00 51.96 51.79 2wtm s ALA 102 Cb -0.07 0.04 0.08 0.00 0.00 0.00 0.00 23.12 23.17 2wtm s ALA 102 CO 0.01 -0.20 0.72 0.20 0.00 0.00 0.00 175.76 176.48 2wtm s GLY 103 N -1.17 -0.55 -0.06 0.00 0.00 -0.91 -0.70 107.32 103.93 2wtm s GLY 103 Ca -0.12 0.89 0.04 0.00 0.00 0.00 0.00 44.72 45.52 2wtm s GLY 103 CO 0.02 0.41 -0.16 -1.58 0.00 0.00 0.00 173.10 171.79 2wtm s HIS 104 N -2.95 2.66 0.00 1.90 2.46 -0.80 -0.79 115.29 117.78 2wtm s HIS 104 Ca -0.00 -0.29 0.00 0.00 0.47 0.00 0.00 55.06 55.24 2wtm s HIS 104 Cb -0.01 -1.64 0.00 0.00 -0.13 0.00 0.00 32.58 30.80 2wtm s HIS 104 CO -0.07 0.08 0.00 0.45 -2.47 0.00 0.00 174.74 172.73 2wtm n SER 105 N 2.53 0.00 0.25 9.88 2.88 -0.42 -0.47 113.62 128.27 2wtm n SER 105 Ca -0.17 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.50 2wtm n SER 105 Cb 0.52 0.00 0.61 0.00 -0.75 0.00 0.00 64.21 64.59 2wtm n SER 105 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2wtm h GLN 106 N 0.00 0.00 -0.09 -1.46 4.20 -1.89 0.11 115.11 115.97 2wtm h GLN 106 Ca 0.00 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 2wtm h GLN 106 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2wtm h GLN 106 CO 0.00 0.12 -0.41 0.78 -0.67 0.00 0.00 178.83 178.65 2wtm h GLY 107 N 1.79 0.21 0.80 3.46 0.00 -0.88 -1.40 103.07 107.05 2wtm h GLY 107 Ca -0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 2wtm h GLY 107 CO 0.02 0.18 0.02 -1.33 0.00 0.00 0.00 176.54 175.42 2wtm h GLY 108 N 1.22 0.27 0.49 4.60 0.00 -0.63 -1.36 103.07 107.67 2wtm h GLY 108 Ca 0.01 -0.19 0.09 0.00 0.00 0.00 0.00 47.33 47.24 2wtm h GLY 108 CO 0.06 0.17 0.31 -2.00 0.00 0.00 0.00 176.54 175.08 2wtm h LEU 109 N 0.02 0.39 -1.10 3.11 5.85 -1.26 -1.42 115.31 120.90 2wtm h LEU 109 Ca 0.04 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 2wtm h LEU 109 Cb 0.33 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2wtm h LEU 109 CO 0.00 0.23 -0.04 0.28 -0.34 0.00 0.00 178.44 178.57 2wtm h SER 110 N 0.54 0.56 0.93 1.25 0.02 -1.06 -1.57 113.55 114.23 2wtm h SER 110 Ca 0.32 -0.13 -0.17 0.00 -0.84 0.00 0.00 61.79 60.97 2wtm h SER 110 Cb 0.33 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 2wtm h SER 110 CO -0.26 0.66 -0.81 -0.37 -1.14 0.00 0.00 176.83 174.91 2wtm h VAL 111 N 0.55 1.51 -0.65 2.27 -1.51 -1.09 0.14 116.25 117.47 2wtm h VAL 111 Ca 0.11 -2.84 0.06 0.00 -1.23 0.00 0.00 66.70 62.81 2wtm h VAL 111 Cb 0.42 2.56 -0.06 0.00 -2.13 0.00 0.00 31.29 32.08 2wtm h VAL 111 CO 0.02 0.79 0.35 0.24 -1.23 0.00 0.00 177.57 177.74 2wtm h MET 112 N 0.00 0.62 -0.05 5.19 2.07 -0.53 0.14 114.93 122.37 2wtm h MET 112 Ca -0.01 -0.04 -0.03 0.00 -2.07 0.00 0.00 59.70 57.55 2wtm h MET 112 Cb 1.49 -0.14 0.00 0.00 -1.87 0.00 0.00 31.60 31.08 2wtm h MET 112 CO 0.11 0.41 -0.09 -0.07 1.07 0.00 0.00 176.91 178.34 2wtm h LEU 113 N 0.64 0.16 -0.90 1.22 3.38 -1.00 -3.21 115.31 115.59 2wtm h LEU 113 Ca 0.29 -0.56 -0.08 0.00 0.09 0.00 0.00 57.88 57.62 2wtm h LEU 113 Cb 0.21 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2wtm h LEU 113 CO -0.19 0.69 -0.03 0.00 0.09 0.00 0.00 178.44 178.99 2wtm h ALA 114 N 0.47 1.09 -0.32 1.53 0.00 -0.60 -2.50 119.26 118.92 2wtm h ALA 114 Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2wtm h ALA 114 Cb 0.67 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2wtm h ALA 114 CO 0.02 0.57 0.07 0.00 0.00 0.00 0.00 179.25 179.91 2wtm h ALA 115 N 1.25 1.52 -0.29 0.00 0.00 -0.81 0.42 119.26 121.35 2wtm h ALA 115 Ca 0.13 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2wtm h ALA 115 Cb 0.49 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2wtm h ALA 115 CO 0.02 0.36 -0.13 0.00 0.00 0.00 0.00 179.25 179.50 2wtm h ALA 116 N 1.62 0.41 0.00 0.00 0.00 -1.48 -0.11 119.26 119.70 2wtm h ALA 116 Ca 0.11 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2wtm h ALA 116 Cb 0.20 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2wtm h ALA 116 CO -0.00 0.29 -0.10 0.52 0.00 0.00 0.00 179.25 179.96 2wtm h MET 117 N 0.35 0.00 -0.48 0.00 2.86 -0.99 -2.84 114.93 113.83 2wtm h MET 117 Ca 0.07 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.39 2wtm h MET 117 Cb 0.65 0.00 -0.21 0.00 0.06 0.00 0.00 31.60 32.10 2wtm h MET 117 CO 0.04 0.10 -0.30 0.39 1.06 0.00 0.00 176.91 178.20 2wtm n GLU 118 N -3.83 2.43 0.16 1.72 -0.58 0.09 -4.86 120.64 115.76 2wtm n GLU 118 Ca -0.02 -3.54 0.04 0.00 -0.42 0.00 0.00 57.16 53.22 2wtm n GLU 118 Cb 0.19 -1.97 0.45 0.00 -0.57 0.00 0.00 31.44 29.54 2wtm n GLU 118 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 2wtm h ARG 119 N 1.47 0.15 0.00 3.49 0.11 -0.78 0.14 114.38 118.96 2wtm h ARG 119 Ca 0.27 -0.03 -0.04 0.00 0.10 0.00 0.00 59.98 60.27 2wtm h ARG 119 Cb 1.42 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.47 2wtm h ARG 119 CO 0.55 0.28 -0.21 0.38 0.10 0.00 0.00 179.97 181.08 2wtm h ASP 120 N 0.15 0.00 0.00 0.08 2.03 -1.87 -3.35 116.42 113.46 2wtm h ASP 120 Ca 0.03 0.00 -0.34 0.00 -0.73 0.00 0.00 57.03 55.99 2wtm h ASP 120 Cb 0.30 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.74 2wtm h ASP 120 CO 0.02 0.21 -2.28 -0.38 -1.03 0.00 0.00 179.24 175.77 2wtm n ILE 121 N -3.37 1.29 -3.17 4.15 2.08 -0.08 -4.95 119.36 115.31 2wtm n ILE 121 Ca 0.00 -0.60 -0.41 0.00 0.56 0.00 0.00 62.75 62.30 2wtm n ILE 121 Cb 0.42 -1.03 -0.07 0.00 -0.75 0.00 0.00 39.64 38.20 2wtm n ILE 121 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2wtm s ILE 122 N -2.45 4.96 0.15 1.39 -1.09 -0.52 -4.25 121.20 119.39 2wtm s ILE 122 Ca -0.23 0.58 -0.02 0.00 -2.23 0.00 0.00 60.65 58.75 2wtm s ILE 122 Cb 0.07 -4.00 -0.16 0.00 -1.58 0.00 0.00 42.46 36.79 2wtm s ILE 122 CO 0.60 -0.21 1.35 0.50 -1.23 0.00 0.00 174.94 175.95 2wtm h LYS 123 N 8.37 0.35 -3.09 2.79 3.64 -0.99 -3.47 116.57 124.17 2wtm h LYS 123 Ca -0.27 -0.36 -0.01 0.00 -1.27 0.00 0.00 60.65 58.74 2wtm h LYS 123 Cb 1.12 0.10 -0.11 0.00 -0.41 0.00 0.00 32.23 32.93 2wtm h LYS 123 CO 0.80 1.04 0.15 0.00 -2.27 0.00 0.00 179.45 179.17 2wtm s ALA 124 N -3.31 -1.39 -0.03 5.00 0.00 -1.26 -4.33 121.76 116.44 2wtm s ALA 124 Ca -0.05 0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.18 2wtm s ALA 124 Cb 0.09 0.85 0.00 0.00 0.00 0.00 0.00 23.12 24.07 2wtm s ALA 124 CO 0.85 -0.79 -0.09 -1.17 0.00 0.00 0.00 175.76 174.56 2wtm s LEU 125 N -2.79 1.77 -0.44 0.00 2.96 -0.58 -2.33 118.68 117.27 2wtm s LEU 125 Ca 0.03 -0.19 0.02 0.00 -0.22 0.00 0.00 54.13 53.78 2wtm s LEU 125 Cb -0.01 -0.55 0.14 0.00 0.50 0.00 0.00 46.19 46.27 2wtm s LEU 125 CO -0.09 0.06 0.26 -0.63 -1.32 0.00 0.00 176.35 174.62 2wtm s ILE 126 N 0.23 1.29 -0.23 6.68 1.01 0.52 -1.06 121.20 129.64 2wtm s ILE 126 Ca -0.04 -2.58 -0.29 0.00 0.00 0.00 0.00 60.65 57.75 2wtm s ILE 126 Cb -0.09 -1.90 0.01 0.00 0.01 0.00 0.00 42.46 40.49 2wtm s ILE 126 CO 0.01 -0.93 1.07 -2.84 0.00 0.00 0.00 174.94 172.24 2wtm s PRO 127 N 0.30 4.24 -0.35 2.79 0.02 -1.14 -2.14 135.00 138.72 2wtm s PRO 127 Ca 0.19 1.37 -0.12 0.00 0.02 0.00 0.00 61.00 62.46 2wtm s PRO 127 Cb -0.21 -3.66 -0.01 0.00 0.02 0.00 0.00 34.50 30.64 2wtm s PRO 127 CO -0.02 -0.66 0.23 -0.51 -0.33 0.00 0.00 177.00 175.71 2wtm s LEU 128 N 3.28 4.54 -1.34 -5.54 1.43 0.03 -2.37 118.68 118.70 2wtm s LEU 128 Ca 0.45 -0.56 -0.21 0.00 -1.03 0.00 0.00 54.13 52.78 2wtm s LEU 128 Cb -0.16 -2.10 0.03 0.00 0.03 0.00 0.00 46.19 43.99 2wtm s LEU 128 CO 0.08 -0.27 0.43 -1.20 0.23 0.00 0.00 176.35 175.61 2wtm n SER 129 N 5.08 -2.16 -4.76 2.29 7.64 0.67 -1.31 113.62 121.08 2wtm n SER 129 Ca -0.13 -1.28 -0.41 0.00 1.01 0.00 0.00 58.87 58.07 2wtm n SER 129 Cb 0.49 -1.72 -0.03 0.00 -1.01 0.00 0.00 64.21 61.94 2wtm n SER 129 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2wtm s PRO 130 N -7.37 4.41 -1.42 1.43 0.04 -1.26 -2.99 135.00 127.83 2wtm s PRO 130 Ca 0.30 2.10 -0.09 0.00 0.04 0.00 0.00 61.00 63.35 2wtm s PRO 130 Cb -0.16 -3.14 -0.06 0.00 0.04 0.00 0.00 34.50 31.18 2wtm s PRO 130 CO 0.98 -0.16 2.91 0.00 0.04 0.00 0.00 177.00 180.77 2wtm n ALA 131 N 1.59 7.33 1.29 8.56 0.00 -0.36 -4.68 120.51 134.24 2wtm n ALA 131 Ca 0.02 -3.50 0.14 0.00 0.00 0.00 0.00 53.44 50.11 2wtm n ALA 131 Cb 0.43 -3.16 0.65 0.00 0.00 0.00 0.00 19.45 17.37 2wtm n ALA 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wtm n ALA 132 N 3.09 2.59 1.44 0.00 0.00 -1.26 -2.47 120.51 123.90 2wtm n ALA 132 Ca 0.73 -0.18 0.13 0.00 0.00 0.00 0.00 53.44 54.12 2wtm n ALA 132 Cb 0.29 -1.42 0.50 0.00 0.00 0.00 0.00 19.45 18.82 2wtm n ALA 132 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2wtm n MET 133 N -1.27 1.64 -0.03 0.00 2.81 -1.26 -4.43 117.12 114.58 2wtm n MET 133 Ca 0.12 -0.94 -0.09 0.00 -1.81 0.00 0.00 57.70 54.97 2wtm n MET 133 Cb 0.28 -1.45 -0.03 0.00 -0.71 0.00 0.00 33.22 31.31 2wtm n MET 133 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2wtm h ILE 134 N 2.15 0.91 -0.66 2.02 2.04 -1.89 -0.71 117.51 121.36 2wtm h ILE 134 Ca 0.00 -0.03 0.08 0.00 1.00 0.00 0.00 64.86 65.91 2wtm h ILE 134 Cb 0.46 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 2wtm h ILE 134 CO 0.00 0.01 0.32 -0.65 0.00 0.00 0.00 178.15 177.84 2wtm h PRO 135 N 0.08 0.56 -0.45 2.37 0.11 -1.79 0.10 132.00 132.98 2wtm h PRO 135 Ca 0.07 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.11 2wtm h PRO 135 Cb 0.08 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.04 2wtm h PRO 135 CO -0.11 0.37 0.12 1.49 -0.21 0.00 0.00 178.00 179.66 2wtm h GLU 136 N 0.58 0.71 -0.01 1.05 4.81 -1.69 -1.80 114.58 118.23 2wtm h GLU 136 Ca 0.31 -0.16 -0.13 0.00 -0.13 0.00 0.00 59.36 59.25 2wtm h GLU 136 Cb 0.30 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 2wtm h GLU 136 CO -0.24 0.70 -0.61 0.82 -0.73 0.00 0.00 179.01 178.95 2wtm h ILE 137 N 0.60 1.43 -0.38 2.32 2.04 -0.95 -1.91 117.51 120.66 2wtm h ILE 137 Ca 0.14 -2.08 -0.05 0.00 1.00 0.00 0.00 64.86 63.88 2wtm h ILE 137 Cb 0.30 2.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 2wtm h ILE 137 CO -0.00 0.60 0.03 0.00 0.00 0.00 0.00 178.15 178.78 2wtm h ALA 138 N 1.37 1.34 0.00 1.87 0.00 -0.49 -1.06 119.26 122.29 2wtm h ALA 138 Ca -0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 2wtm h ALA 138 Cb 1.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2wtm h ALA 138 CO 0.08 0.46 -0.19 0.00 0.00 0.00 0.00 179.25 179.60 2wtm h ARG 139 N 0.57 0.00 0.00 0.00 3.08 -0.57 -2.46 114.38 114.99 2wtm h ARG 139 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2wtm h ARG 139 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2wtm h ARG 139 CO 0.01 0.19 -0.31 0.25 -1.07 0.00 0.00 179.97 179.04 2wtm n THR 140 N -3.44 0.47 -0.80 2.04 -2.24 -0.48 -4.78 114.28 105.03 2wtm n THR 140 Ca -0.00 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 2wtm n THR 140 Cb 0.37 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 2wtm n THR 140 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wtm n GLY 141 N 1.33 0.91 3.03 3.38 0.00 -0.72 -4.65 105.19 108.46 2wtm n GLY 141 Ca 0.04 -0.22 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 2wtm n GLY 141 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wtm s GLU 142 N -1.51 0.51 -0.26 1.61 2.02 -0.76 -0.74 118.70 119.56 2wtm s GLU 142 Ca 0.00 -0.54 -0.26 0.00 0.02 0.00 0.00 54.97 54.19 2wtm s GLU 142 Cb 0.00 -0.38 0.12 0.00 0.10 0.00 0.00 34.13 33.97 2wtm s GLU 142 CO 0.00 0.08 1.00 -1.17 0.02 0.00 0.00 175.26 175.20 2wtm s LEU 143 N -1.00 -0.47 -1.33 1.80 2.96 -0.69 -3.34 118.68 116.62 2wtm s LEU 143 Ca -0.05 0.86 -0.01 0.00 -0.22 0.00 0.00 54.13 54.71 2wtm s LEU 143 Cb -0.07 1.93 0.00 0.00 0.50 0.00 0.00 46.19 48.56 2wtm s LEU 143 CO 0.00 -0.19 0.07 0.18 -1.32 0.00 0.00 176.35 175.09 2wtm n LEU 144 N 2.06 -1.52 -0.90 -0.68 4.77 -1.26 -0.67 117.00 118.80 2wtm n LEU 144 Ca -0.12 0.06 -0.12 0.00 -0.03 0.00 0.00 56.01 55.80 2wtm n LEU 144 Cb 0.56 -2.45 -0.05 0.00 -2.33 0.00 0.00 43.42 39.15 2wtm n LEU 144 CO 0.04 -0.12 -0.11 0.61 -1.33 0.00 0.00 177.39 176.48 2wtm n GLY 145 N -0.94 1.27 3.55 -0.72 0.00 -1.26 -4.55 105.19 102.54 2wtm n GLY 145 Ca -0.17 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 2wtm n GLY 145 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wtm s LEU 146 N -2.66 2.95 -0.16 0.99 1.43 0.15 -4.99 118.68 116.40 2wtm s LEU 146 Ca 0.00 -0.33 -0.05 0.00 -1.03 0.00 0.00 54.13 52.72 2wtm s LEU 146 Cb 0.00 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 2wtm s LEU 146 CO 0.00 0.23 -0.00 -0.75 0.23 0.00 0.00 176.35 176.06 2wtm s LYS 147 N -1.78 3.78 0.18 1.70 2.47 -1.26 -1.71 119.74 123.12 2wtm s LYS 147 Ca 0.18 -0.46 -0.03 0.00 -1.56 0.00 0.00 55.97 54.11 2wtm s LYS 147 Cb -0.11 -3.02 -0.03 0.00 -1.46 0.00 0.00 37.83 33.21 2wtm s LYS 147 CO 0.10 0.26 0.16 -0.59 0.16 0.00 0.00 175.35 175.43 2wtm s PHE 148 N 0.35 0.96 -0.26 4.03 -0.12 0.08 -5.01 117.98 118.00 2wtm s PHE 148 Ca -0.02 -1.24 -0.29 0.00 -0.05 0.00 0.00 56.93 55.34 2wtm s PHE 148 Cb -0.13 -0.43 0.01 0.00 -0.63 0.00 0.00 43.02 41.83 2wtm s PHE 148 CO 0.02 -0.65 1.03 0.34 -0.05 0.00 0.00 175.22 175.91 2wtm s ASP 149 N -3.10 7.01 0.00 1.98 -1.08 -1.26 -4.44 116.67 115.78 2wtm s ASP 149 Ca 0.32 1.23 0.17 0.00 -0.52 0.00 0.00 52.55 53.74 2wtm s ASP 149 Cb 0.06 -2.53 0.82 0.00 -1.46 0.00 0.00 42.92 39.81 2wtm s ASP 149 CO 0.08 -0.73 1.49 -0.81 0.52 0.00 0.00 175.17 175.73 2wtm n PRO 150 N 6.48 0.20 0.00 4.34 -0.04 -1.26 -1.94 135.00 142.78 2wtm n PRO 150 Ca 0.11 0.14 0.08 0.00 -0.04 0.00 0.00 63.50 63.79 2wtm n PRO 150 Cb 0.47 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 2wtm n PRO 150 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wtm n GLU 151 N -1.32 1.70 -3.31 0.54 -0.58 -1.26 -4.62 120.64 111.80 2wtm n GLU 151 Ca 0.07 -0.81 -0.26 0.00 -0.42 0.00 0.00 57.16 55.75 2wtm n GLU 151 Cb 0.14 -1.25 -0.09 0.00 -0.57 0.00 0.00 31.44 29.67 2wtm n GLU 151 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2wtm n ASN 152 N -0.10 -0.12 -4.72 1.62 3.02 -0.82 -5.12 115.26 109.02 2wtm n ASN 152 Ca 0.06 -2.53 -0.42 0.00 -0.03 0.00 0.00 54.58 51.66 2wtm n ASN 152 Cb 0.33 -0.59 -0.03 0.00 -0.61 0.00 0.00 39.78 38.87 2wtm n ASN 152 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2wtm s ILE 153 N -0.53 3.71 0.61 2.41 1.01 -1.23 -4.49 121.20 122.69 2wtm s ILE 153 Ca 0.34 1.25 -0.19 0.00 0.00 0.00 0.00 60.65 62.05 2wtm s ILE 153 Cb 0.10 -3.80 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 2wtm s ILE 153 CO -0.16 0.11 1.27 -2.84 0.00 0.00 0.00 174.94 173.32 2wtm s PRO 154 N 0.89 2.78 0.29 2.79 0.02 -1.26 -4.94 135.00 135.58 2wtm s PRO 154 Ca 0.60 2.00 0.00 0.00 0.02 0.00 0.00 61.00 63.62 2wtm s PRO 154 Cb -0.33 -1.93 0.45 0.00 0.02 0.00 0.00 34.50 32.71 2wtm s PRO 154 CO 0.31 -1.40 1.83 -0.44 -0.33 0.00 0.00 177.00 176.97 2wtm h ASP 155 N 0.79 0.70 -3.91 2.53 3.32 -1.96 -3.05 116.42 114.84 2wtm h ASP 155 Ca -0.51 -0.13 -0.32 0.00 0.02 0.00 0.00 57.03 56.09 2wtm h ASP 155 Cb 1.32 -0.18 -0.28 0.00 0.22 0.00 0.00 39.33 40.40 2wtm h ASP 155 CO 0.54 0.71 -0.75 -0.70 -1.72 0.00 0.00 179.24 177.32 2wtm s GLU 156 N -5.13 0.42 -0.17 3.56 2.12 -1.26 -0.85 118.70 117.39 2wtm s GLU 156 Ca -0.09 -0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.05 2wtm s GLU 156 Cb 0.15 -0.41 0.04 0.00 0.26 0.00 0.00 34.13 34.17 2wtm s GLU 156 CO 0.79 0.11 -0.09 -0.51 -0.54 0.00 0.00 175.26 175.03 2wtm s LEU 157 N -0.14 1.84 -0.31 2.70 1.43 0.09 -4.87 118.68 119.42 2wtm s LEU 157 Ca 0.02 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.43 2wtm s LEU 157 Cb -0.02 -1.07 0.07 0.00 0.03 0.00 0.00 46.19 45.20 2wtm s LEU 157 CO -0.00 -0.15 0.02 -1.81 0.23 0.00 0.00 176.35 174.64 2wtm s ASP 158 N 1.53 4.83 0.56 2.29 1.01 -1.26 -0.96 116.67 124.66 2wtm s ASP 158 Ca 0.01 -1.57 -0.18 0.00 0.71 0.00 0.00 52.55 51.52 2wtm s ASP 158 Cb -0.15 -1.68 -0.05 0.00 1.01 0.00 0.00 42.92 42.05 2wtm s ASP 158 CO -0.08 -0.31 1.08 0.00 0.21 0.00 0.00 175.17 176.07 2wtm s ALA 159 N 1.14 2.73 0.24 5.23 0.00 0.71 -4.93 121.76 126.89 2wtm s ALA 159 Ca -0.01 0.61 0.25 0.00 0.00 0.00 0.00 51.96 52.80 2wtm s ALA 159 Cb -0.20 -3.29 1.09 0.00 0.00 0.00 0.00 23.12 20.72 2wtm s ALA 159 CO -0.04 -0.72 1.91 -1.49 0.00 0.00 0.00 175.76 175.42 2wtm h TRP 160 N 0.94 0.00 0.00 0.00 4.06 -1.86 -1.99 115.95 117.10 2wtm h TRP 160 Ca -0.49 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.46 2wtm h TRP 160 Cb 1.24 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.40 2wtm h TRP 160 CO 0.55 0.20 0.00 -0.40 -3.56 0.00 0.00 178.44 175.23 2wtm n ASP 161 N -3.49 0.00 0.00 -3.49 5.68 -1.26 -4.88 116.55 109.10 2wtm n ASP 161 Ca -0.01 -0.83 0.00 0.00 -0.50 0.00 0.00 54.79 53.45 2wtm n ASP 161 Cb 0.37 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.33 2wtm n ASP 161 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wtm n GLY 162 N 0.79 0.89 3.77 6.12 0.00 -0.75 -5.06 105.19 110.94 2wtm n GLY 162 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 2wtm n GLY 162 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wtm s ARG 163 N -0.89 4.21 0.00 1.61 0.52 -1.26 -4.78 118.95 118.37 2wtm s ARG 163 Ca 0.00 2.33 0.05 0.00 -0.52 0.00 0.00 55.73 57.59 2wtm s ARG 163 Cb 0.00 -2.99 -0.02 0.00 0.52 0.00 0.00 34.95 32.46 2wtm s ARG 163 CO 0.00 -0.35 -0.16 0.15 0.02 0.00 0.00 175.30 174.96 2wtm s LYS 164 N -1.96 1.21 0.15 3.54 1.02 -1.26 -0.20 119.74 122.24 2wtm s LYS 164 Ca 0.51 -0.64 0.01 0.00 0.02 0.00 0.00 55.97 55.88 2wtm s LYS 164 Cb -0.42 -1.20 -0.04 0.00 -0.52 0.00 0.00 37.83 35.65 2wtm s LYS 164 CO 0.56 0.32 0.00 -0.51 -0.92 0.00 0.00 175.35 174.80 2wtm s LEU 165 N -0.60 2.11 0.37 3.17 1.43 -0.13 -4.98 118.68 120.04 2wtm s LEU 165 Ca 0.05 -1.15 0.07 0.00 -1.03 0.00 0.00 54.13 52.07 2wtm s LEU 165 Cb -0.07 0.02 -0.01 0.00 0.03 0.00 0.00 46.19 46.16 2wtm s LEU 165 CO 0.00 -0.59 0.43 -1.59 0.23 0.00 0.00 176.35 174.83 2wtm s LYS 166 N -3.93 2.85 0.52 1.70 -2.85 -1.26 -0.73 119.74 116.04 2wtm s LYS 166 Ca 0.22 -1.23 0.23 0.00 -1.00 0.00 0.00 55.97 54.19 2wtm s LYS 166 Cb 0.06 -2.64 1.35 0.00 -2.06 0.00 0.00 37.83 34.54 2wtm s LYS 166 CO 0.02 -0.05 2.03 0.78 0.10 0.00 0.00 175.35 178.24 2wtm h GLY 167 N 0.96 0.03 1.04 0.59 0.00 -0.88 -1.37 103.07 103.44 2wtm h GLY 167 Ca -0.43 -0.01 0.09 0.00 0.00 0.00 0.00 47.33 46.98 2wtm h GLY 167 CO 0.53 0.00 0.41 3.43 0.00 0.00 0.00 176.54 180.92 2wtm h ASN 168 N 0.02 0.41 -0.64 0.19 2.35 -1.85 0.23 115.58 116.30 2wtm h ASN 168 Ca 0.19 0.01 0.05 0.00 -0.55 0.00 0.00 56.30 56.00 2wtm h ASN 168 Cb 0.75 -0.08 -0.05 0.00 0.05 0.00 0.00 38.32 38.99 2wtm h ASN 168 CO -0.01 0.25 0.36 0.22 -1.65 0.00 0.00 177.43 176.61 2wtm h TYR 169 N 0.46 0.67 -0.11 1.19 3.20 -1.37 -1.68 116.97 119.33 2wtm h TYR 169 Ca 0.28 0.02 -0.21 0.00 3.14 0.00 0.00 58.73 61.97 2wtm h TYR 169 Cb 0.50 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.56 2wtm h TYR 169 CO -0.00 0.34 -0.78 0.28 -1.64 0.00 0.00 178.16 176.36 2wtm h VAL 170 N 0.68 1.33 -0.91 1.81 2.07 -1.13 -0.78 116.25 119.31 2wtm h VAL 170 Ca 0.28 -2.08 -0.00 0.00 0.82 0.00 0.00 66.70 65.72 2wtm h VAL 170 Cb 0.14 2.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 2wtm h VAL 170 CO -0.16 0.64 0.56 0.03 0.02 0.00 0.00 177.57 178.66 2wtm h ARG 171 N 0.41 1.23 -0.01 1.57 3.08 -0.97 -0.63 114.38 119.05 2wtm h ARG 171 Ca -0.05 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 2wtm h ARG 171 Cb 1.38 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 31.17 2wtm h ARG 171 CO 0.15 0.85 -0.01 0.28 -1.07 0.00 0.00 179.97 180.17 2wtm h VAL 172 N 1.25 1.42 -0.77 2.04 2.07 -1.31 -3.35 116.25 117.61 2wtm h VAL 172 Ca 0.33 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.58 2wtm h VAL 172 Cb -0.07 2.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 2wtm h VAL 172 CO -0.06 0.33 0.46 0.00 0.02 0.00 0.00 177.57 178.32 2wtm h ALA 173 N 0.47 1.37 -0.07 1.67 0.00 -0.67 -1.30 119.26 120.73 2wtm h ALA 173 Ca 0.00 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.84 2wtm h ALA 173 Cb 0.55 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2wtm h ALA 173 CO 0.00 0.55 0.10 1.96 0.00 0.00 0.00 179.25 181.86 2wtm h GLN 174 N 1.06 0.00 0.00 0.00 4.20 -1.26 -2.09 115.11 117.02 2wtm h GLN 174 Ca 0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 2wtm h GLN 174 Cb -0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.74 2wtm h GLN 174 CO -0.05 0.00 -0.11 0.25 -0.67 0.00 0.00 178.83 178.24 2wtm n THR 175 N -3.68 0.40 -2.97 -0.54 -2.24 -0.49 -4.84 114.28 99.91 2wtm n THR 175 Ca -0.01 -0.21 -0.41 0.00 -2.27 0.00 0.00 64.05 61.15 2wtm n THR 175 Cb 0.19 -0.46 -0.05 0.00 -2.10 0.00 0.00 70.33 67.91 2wtm n THR 175 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2wtm s ILE 176 N -3.08 4.87 -0.94 2.28 -1.09 -0.79 -4.98 121.20 117.47 2wtm s ILE 176 Ca 0.11 1.31 -0.13 0.00 -2.23 0.00 0.00 60.65 59.70 2wtm s ILE 176 Cb 0.14 -4.07 0.22 0.00 -1.58 0.00 0.00 42.46 37.17 2wtm s ILE 176 CO 0.60 -0.10 0.95 -0.13 -1.23 0.00 0.00 174.94 175.04 2wtm s ARG 177 N 2.78 3.80 0.29 2.79 1.81 -1.26 -4.75 118.95 124.40 2wtm s ARG 177 Ca 0.31 -2.59 0.03 0.00 -1.72 0.00 0.00 55.73 51.76 2wtm s ARG 177 Cb -0.15 -4.57 0.62 0.00 -0.45 0.00 0.00 34.95 30.40 2wtm s ARG 177 CO 0.09 -1.37 1.80 0.28 -0.68 0.00 0.00 175.30 175.42 2wtm h VAL 178 N 4.60 0.80 -0.51 3.52 2.07 -1.93 -1.72 116.25 123.07 2wtm h VAL 178 Ca 0.15 -0.28 0.11 0.00 0.82 0.00 0.00 66.70 67.49 2wtm h VAL 178 Cb 0.98 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 2wtm h VAL 178 CO 0.90 0.15 0.35 -0.33 0.02 0.00 0.00 177.57 178.66 2wtm h GLU 179 N 0.83 0.22 -0.52 1.57 3.07 -1.96 -0.54 114.58 117.25 2wtm h GLU 179 Ca 0.52 -0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 59.25 2wtm h GLU 179 Cb 0.68 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.53 2wtm h GLU 179 CO -0.33 0.14 -0.13 -0.44 -1.40 0.00 0.00 179.01 176.85 2wtm h ASP 180 N 0.22 1.00 -0.32 1.42 5.19 -1.74 -1.26 116.42 120.93 2wtm h ASP 180 Ca 0.24 -0.34 -0.16 0.00 -0.62 0.00 0.00 57.03 56.15 2wtm h ASP 180 Cb 0.65 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.88 2wtm h ASP 180 CO -0.04 1.12 -0.42 -0.26 -3.12 0.00 0.00 179.24 176.52 2wtm h PHE 181 N 0.88 1.07 -0.28 4.55 0.04 -1.22 -2.29 116.94 119.70 2wtm h PHE 181 Ca 0.13 -0.33 0.03 0.00 2.80 0.00 0.00 57.97 60.59 2wtm h PHE 181 Cb 0.69 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.60 2wtm h PHE 181 CO 0.05 1.15 0.11 0.28 -0.60 0.00 0.00 178.31 179.30 2wtm h VAL 182 N 0.71 0.95 -0.34 -0.55 2.07 -1.11 -2.84 116.25 115.15 2wtm h VAL 182 Ca 0.05 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.52 2wtm h VAL 182 Cb 1.01 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 2wtm h VAL 182 CO 0.10 0.04 0.23 0.44 0.02 0.00 0.00 177.57 178.40 2wtm h ASP 183 N 0.25 0.27 1.12 0.57 3.32 -1.05 -2.98 116.42 117.92 2wtm h ASP 183 Ca 0.12 -0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.00 2wtm h ASP 183 Cb 0.07 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2wtm h ASP 183 CO -0.11 0.18 -0.79 0.11 -1.72 0.00 0.00 179.24 176.92 2wtm h LYS 184 N 0.31 0.00 -4.85 3.56 1.79 -1.25 -3.41 116.57 112.73 2wtm h LYS 184 Ca 0.14 0.00 -0.69 0.00 -2.18 0.00 0.00 60.65 57.92 2wtm h LYS 184 Cb 0.18 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 30.64 2wtm h LYS 184 CO -0.03 0.79 0.38 -0.47 -1.08 0.00 0.00 179.45 179.04 2wtm s TYR 185 N -2.89 3.03 -2.93 -1.35 5.04 -1.09 -4.87 117.35 112.29 2wtm s TYR 185 Ca 0.02 -1.08 0.24 0.00 -2.44 0.00 0.00 57.07 53.81 2wtm s TYR 185 Cb 0.09 -4.12 0.27 0.00 0.35 0.00 0.00 41.96 38.55 2wtm s TYR 185 CO 0.79 -1.39 1.30 0.25 -1.34 0.00 0.00 175.55 175.16 2wtm n THR 186 N 5.46 0.03 -1.68 4.34 -2.24 -1.26 -4.58 114.28 114.35 2wtm n THR 186 Ca 0.02 -0.50 -0.29 0.00 -2.27 0.00 0.00 64.05 61.01 2wtm n THR 186 Cb 0.45 1.39 0.15 0.00 -2.10 0.00 0.00 70.33 70.22 2wtm n THR 186 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2wtm s LYS 187 N -1.97 0.94 0.28 -0.78 1.02 -1.26 -4.47 119.74 113.51 2wtm s LYS 187 Ca 0.29 0.01 -0.30 0.00 0.02 0.00 0.00 55.97 56.00 2wtm s LYS 187 Cb 0.20 -1.84 -0.11 0.00 -0.52 0.00 0.00 37.83 35.56 2wtm s LYS 187 CO 0.30 -2.28 1.60 -2.14 -0.92 0.00 0.00 175.35 171.91 2wtm s PRO 188 N -5.54 4.13 -0.01 -1.68 0.02 -1.26 -4.53 135.00 126.13 2wtm s PRO 188 Ca 0.67 2.57 0.05 0.00 0.02 0.00 0.00 61.00 64.30 2wtm s PRO 188 Cb -0.10 -3.03 -0.01 0.00 0.02 0.00 0.00 34.50 31.37 2wtm s PRO 188 CO 0.52 -0.63 -0.15 0.08 -0.33 0.00 0.00 177.00 176.49 2wtm s VAL 189 N 0.10 1.22 -0.28 3.83 1.01 0.11 -1.52 120.40 124.86 2wtm s VAL 189 Ca 0.64 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.99 2wtm s VAL 189 Cb -0.48 -1.02 0.07 0.00 0.00 0.00 0.00 36.38 34.96 2wtm s VAL 189 CO 0.46 0.35 -0.06 -0.22 0.00 0.00 0.00 175.10 175.63 2wtm s LEU 190 N -0.34 3.81 -0.09 3.92 2.96 -0.22 -1.03 118.68 127.68 2wtm s LEU 190 Ca 0.06 -1.62 -0.13 0.00 -0.22 0.00 0.00 54.13 52.21 2wtm s LEU 190 Cb -0.06 -1.56 -0.05 0.00 0.50 0.00 0.00 46.19 45.02 2wtm s LEU 190 CO -0.01 -0.25 0.33 -0.63 -1.32 0.00 0.00 176.35 174.48 2wtm s ILE 191 N 1.05 5.22 -0.07 6.68 1.01 -0.34 -2.90 121.20 131.86 2wtm s ILE 191 Ca -0.03 0.64 0.04 0.00 0.00 0.00 0.00 60.65 61.31 2wtm s ILE 191 Cb -0.20 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 2wtm s ILE 191 CO -0.06 0.49 -0.20 -0.69 0.00 0.00 0.00 174.94 174.48 2wtm s VAL 192 N -0.36 2.50 -0.24 2.92 1.01 -1.00 -1.13 120.40 124.09 2wtm s VAL 192 Ca 0.20 -0.91 -0.16 0.00 0.00 0.00 0.00 61.98 61.11 2wtm s VAL 192 Cb -0.14 -1.95 0.07 0.00 0.00 0.00 0.00 36.38 34.35 2wtm s VAL 192 CO 0.08 0.57 0.60 -2.28 0.00 0.00 0.00 175.10 174.07 2wtm s HIS 193 N -0.26 -0.83 0.21 5.22 5.04 -0.78 -0.24 115.29 123.65 2wtm s HIS 193 Ca 0.00 1.78 -0.30 0.00 -1.54 0.00 0.00 55.06 55.00 2wtm s HIS 193 Cb -0.13 0.42 -0.08 0.00 0.04 0.00 0.00 32.58 32.83 2wtm s HIS 193 CO 0.03 -0.42 1.12 0.20 -2.34 0.00 0.00 174.74 173.33 2wtm s GLY 194 N 1.14 2.86 0.00 1.59 0.00 -1.26 -1.34 107.32 110.32 2wtm s GLY 194 Ca -0.07 0.87 0.13 0.00 0.00 0.00 0.00 44.72 45.65 2wtm s GLY 194 CO -0.11 1.67 1.41 2.09 0.00 0.00 0.00 173.10 178.15 2wtm n ASP 195 N 2.09 0.65 -1.34 1.64 5.68 -0.81 -2.70 116.55 121.77 2wtm n ASP 195 Ca 0.02 -1.73 -0.07 0.00 -0.50 0.00 0.00 54.79 52.50 2wtm n ASP 195 Cb 0.45 -0.06 0.11 0.00 -1.14 0.00 0.00 41.12 40.49 2wtm n ASP 195 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wtm n GLN 196 N -0.27 2.41 -2.07 0.11 1.13 -0.54 -4.82 117.38 113.33 2wtm n GLN 196 Ca 0.10 -3.64 -0.43 0.00 -1.94 0.00 0.00 57.00 51.10 2wtm n GLN 196 Cb 0.14 -1.84 -0.03 0.00 0.11 0.00 0.00 30.24 28.62 2wtm n GLN 196 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2wtm s ASP 197 N -3.37 6.51 0.03 1.08 -1.08 -1.10 -4.43 116.67 114.32 2wtm s ASP 197 Ca 0.43 1.90 0.25 0.00 -0.52 0.00 0.00 52.55 54.61 2wtm s ASP 197 Cb 0.39 -2.53 0.55 0.00 -1.46 0.00 0.00 42.92 39.86 2wtm s ASP 197 CO -0.03 -1.11 1.45 -0.62 0.52 0.00 0.00 175.17 175.39 2wtm n GLU 198 N 7.40 0.08 -0.13 4.34 4.71 -1.26 -4.26 120.64 131.52 2wtm n GLU 198 Ca 0.18 0.02 -0.18 0.00 -0.01 0.00 0.00 57.16 57.17 2wtm n GLU 198 Cb 0.44 -1.55 -0.12 0.00 -1.01 0.00 0.00 31.44 29.20 2wtm n GLU 198 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2wtm n ALA 199 N -1.59 1.43 -3.75 0.62 0.00 -1.26 -4.94 120.51 111.02 2wtm n ALA 199 Ca 0.05 -1.11 -0.22 0.00 0.00 0.00 0.00 53.44 52.16 2wtm n ALA 199 Cb 0.36 -0.09 -0.18 0.00 0.00 0.00 0.00 19.45 19.55 2wtm n ALA 199 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wtm s VAL 200 N -2.52 0.30 -0.09 0.00 1.01 -1.26 -5.11 120.40 112.72 2wtm s VAL 200 Ca -0.35 0.16 -0.32 0.00 0.00 0.00 0.00 61.98 61.46 2wtm s VAL 200 Cb 0.09 -0.46 -0.10 0.00 0.00 0.00 0.00 36.38 35.91 2wtm s VAL 200 CO 0.60 0.24 1.97 -0.81 0.00 0.00 0.00 175.10 177.10 2wtm n PRO 201 N 5.08 2.25 -0.32 2.72 -0.04 -1.26 -4.69 135.00 138.73 2wtm n PRO 201 Ca -0.08 0.80 0.23 0.00 -0.04 0.00 0.00 63.50 64.41 2wtm n PRO 201 Cb 0.50 -2.80 0.45 0.00 -0.04 0.00 0.00 33.50 31.61 2wtm n PRO 201 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 2wtm h TYR 202 N 10.52 0.65 0.00 0.54 3.20 -1.82 -2.03 116.97 128.03 2wtm h TYR 202 Ca -0.46 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.43 2wtm h TYR 202 Cb 1.26 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.41 2wtm h TYR 202 CO 0.91 -0.32 -0.09 0.93 -1.64 0.00 0.00 178.16 177.96 2wtm h GLU 203 N 0.16 0.00 -0.72 1.82 3.07 -1.95 -1.26 114.58 115.69 2wtm h GLU 203 Ca 0.72 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.52 2wtm h GLU 203 Cb 1.68 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.56 2wtm h GLU 203 CO -0.71 0.09 0.23 0.00 -1.40 0.00 0.00 179.01 177.22 2wtm h ALA 204 N 1.91 0.95 -0.12 3.43 0.00 -1.75 -1.37 119.26 122.31 2wtm h ALA 204 Ca -0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 2wtm h ALA 204 Cb 0.26 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2wtm h ALA 204 CO 0.01 0.63 -0.28 0.77 0.00 0.00 0.00 179.25 180.39 2wtm h SER 205 N 1.07 0.21 0.10 0.00 0.02 -1.36 -0.20 113.55 113.40 2wtm h SER 205 Ca 0.23 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 2wtm h SER 205 Cb 0.31 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2wtm h SER 205 CO -0.01 0.49 -0.05 0.58 -1.14 0.00 0.00 176.83 176.71 2wtm h VAL 206 N 0.19 0.90 -0.18 2.27 2.07 -1.00 0.15 116.25 120.65 2wtm h VAL 206 Ca 0.03 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 2wtm h VAL 206 Cb 0.60 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2wtm h VAL 206 CO 0.04 0.00 0.11 0.00 0.02 0.00 0.00 177.57 177.74 2wtm h ALA 207 N 0.76 0.24 -0.48 1.67 0.00 -0.96 -2.50 119.26 117.99 2wtm h ALA 207 Ca -0.01 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2wtm h ALA 207 Cb 0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2wtm h ALA 207 CO 0.02 -0.25 0.03 0.74 0.00 0.00 0.00 179.25 179.80 2wtm h PHE 208 N 0.21 0.82 -0.64 0.00 0.04 -0.96 -2.35 116.94 114.07 2wtm h PHE 208 Ca 0.07 -0.10 0.08 0.00 2.80 0.00 0.00 57.97 60.82 2wtm h PHE 208 Cb 0.04 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 37.92 2wtm h PHE 208 CO -0.05 0.75 0.43 0.66 -0.60 0.00 0.00 178.31 179.50 2wtm h SER 209 N 0.74 0.49 1.18 2.17 4.64 -0.35 -1.53 113.55 120.88 2wtm h SER 209 Ca 0.15 0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.34 2wtm h SER 209 Cb 0.41 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 2wtm h SER 209 CO 0.01 0.30 -0.64 0.11 -0.87 0.00 0.00 176.83 175.75 2wtm h LYS 210 N 0.55 0.00 0.07 4.77 1.57 -1.01 -3.33 116.57 119.19 2wtm h LYS 210 Ca 0.29 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.84 2wtm h LYS 210 Cb 0.41 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.75 2wtm h LYS 210 CO -0.09 0.64 -0.92 0.37 -0.57 0.00 0.00 179.45 178.88 2wtm h GLN 211 N 0.00 0.51 -6.64 3.15 4.15 -0.83 -3.45 115.11 112.00 2wtm h GLN 211 Ca -0.01 -0.63 -0.58 0.00 0.77 0.00 0.00 58.65 58.20 2wtm h GLN 211 Cb 1.40 0.20 0.12 0.00 0.21 0.00 0.00 27.48 29.41 2wtm h GLN 211 CO 0.08 1.26 0.28 0.66 -1.93 0.00 0.00 178.83 179.18 2wtm n TYR 212 N -4.01 1.60 -0.20 3.99 4.02 -0.67 -4.86 117.16 117.03 2wtm n TYR 212 Ca -0.12 0.59 -0.02 0.00 -0.01 0.00 0.00 57.90 58.34 2wtm n TYR 212 Cb 0.84 -2.30 0.18 0.00 -0.02 0.00 0.00 39.34 38.04 2wtm n TYR 212 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 2wtm h LYS 213 N 1.99 0.98 -2.27 -0.72 3.64 -1.85 -3.39 116.57 114.95 2wtm h LYS 213 Ca -0.44 -0.14 -0.57 0.00 -1.27 0.00 0.00 60.65 58.23 2wtm h LYS 213 Cb 1.32 -0.18 -0.37 0.00 -0.41 0.00 0.00 32.23 32.58 2wtm h LYS 213 CO 0.60 0.77 -0.98 -1.71 -2.27 0.00 0.00 179.45 175.85 2wtm n ASN 214 N -4.33 -0.50 -4.00 4.20 2.85 -1.26 -5.10 115.26 107.11 2wtm n ASN 214 Ca 0.06 -2.43 -0.22 0.00 -0.11 0.00 0.00 54.58 51.89 2wtm n ASN 214 Cb 0.14 -0.50 -0.16 0.00 1.24 0.00 0.00 39.78 40.50 2wtm n ASN 214 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2wtm s LYS 216 N 0.45 3.96 -0.24 0.00 2.20 -0.20 -4.92 119.74 121.00 2wtm s LYS 216 Ca -0.08 -0.27 -0.10 0.00 -0.36 0.00 0.00 55.97 55.16 2wtm s LYS 216 Cb -0.12 -3.28 -0.05 0.00 -1.51 0.00 0.00 37.83 32.87 2wtm s LYS 216 CO 0.02 0.36 0.14 -1.17 -0.36 0.00 0.00 175.35 174.34 2wtm s LEU 217 N 0.15 4.00 -0.25 5.43 2.96 -1.26 -1.19 118.68 128.52 2wtm s LEU 217 Ca 0.07 0.06 -0.05 0.00 -0.22 0.00 0.00 54.13 53.99 2wtm s LEU 217 Cb -0.12 -2.07 0.00 0.00 0.50 0.00 0.00 46.19 44.50 2wtm s LEU 217 CO -0.00 0.05 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.39 2wtm s VAL 218 N 1.12 3.54 -0.04 1.68 1.01 -0.29 -4.99 120.40 122.44 2wtm s VAL 218 Ca 0.07 -0.62 -0.20 0.00 0.00 0.00 0.00 61.98 61.23 2wtm s VAL 218 Cb -0.14 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 2wtm s VAL 218 CO 0.05 0.28 0.57 -0.89 0.00 0.00 0.00 175.10 175.11 2wtm s THR 219 N 1.47 4.99 -0.47 3.92 2.01 -1.26 -1.86 115.64 124.44 2wtm s THR 219 Ca 0.04 1.18 -0.16 0.00 0.31 0.00 0.00 61.69 63.07 2wtm s THR 219 Cb -0.16 -3.91 0.07 0.00 0.01 0.00 0.00 72.50 68.52 2wtm s THR 219 CO -0.01 0.39 0.40 -0.63 -0.69 0.00 0.00 174.62 174.08 2wtm s ILE 220 N 0.05 5.22 0.13 1.82 -1.09 -0.45 -4.94 121.20 121.94 2wtm s ILE 220 Ca 0.30 -1.01 -0.31 0.00 -2.23 0.00 0.00 60.65 57.40 2wtm s ILE 220 Cb -0.17 -4.13 -0.09 0.00 -1.58 0.00 0.00 42.46 36.49 2wtm s ILE 220 CO 0.16 -0.58 1.51 -2.84 -1.23 0.00 0.00 174.94 171.96 2wtm s PRO 221 N 1.70 4.25 0.00 2.79 0.02 -1.26 -1.92 135.00 140.58 2wtm s PRO 221 Ca 0.05 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.31 2wtm s PRO 221 Cb -0.24 -3.24 0.00 0.00 0.02 0.00 0.00 34.50 31.04 2wtm s PRO 221 CO 0.07 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.59 2wtm n GLY 222 N 3.68 0.51 3.96 0.52 0.00 -1.26 -4.89 105.19 107.71 2wtm n GLY 222 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 2wtm n GLY 222 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wtm s ASP 223 N -2.18 5.88 0.62 1.61 -1.08 -1.01 -4.55 116.67 115.97 2wtm s ASP 223 Ca 0.00 -0.21 0.05 0.00 -0.52 0.00 0.00 52.55 51.87 2wtm s ASP 223 Cb 0.00 -1.28 0.11 0.00 -1.46 0.00 0.00 42.92 40.29 2wtm s ASP 223 CO 0.00 -0.35 0.83 0.35 0.52 0.00 0.00 175.17 176.52 2wtm n THR 224 N -1.54 0.00 -0.07 1.71 -2.24 -1.26 -1.46 114.28 109.41 2wtm n THR 224 Ca -0.02 -1.64 0.00 0.00 -2.27 0.00 0.00 64.05 60.13 2wtm n THR 224 Cb 0.58 -0.73 0.29 0.00 -2.10 0.00 0.00 70.33 68.37 2wtm n THR 224 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2wtm h HIS 225 N -0.23 0.69 -0.21 4.78 -0.00 -1.92 -2.81 115.15 115.44 2wtm h HIS 225 Ca -0.28 -0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.06 2wtm h HIS 225 Cb 1.15 -0.21 -0.00 0.00 -0.00 0.00 0.00 27.41 28.34 2wtm h HIS 225 CO 0.00 0.54 -0.00 0.00 -0.00 0.00 0.00 177.93 178.47 2wtm n TYR 227 N -0.70 -1.63 -0.11 0.00 4.01 -1.06 -4.73 117.16 112.93 2wtm n TYR 227 Ca 0.21 0.69 0.01 0.00 -0.16 0.00 0.00 57.90 58.64 2wtm n TYR 227 Cb 0.85 -4.25 0.29 0.00 -0.31 0.00 0.00 39.34 35.92 2wtm n TYR 227 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2wtm h ASP 228 N -1.37 0.69 0.12 7.72 3.32 -1.94 -3.09 116.42 121.87 2wtm h ASP 228 Ca -0.44 -0.05 -0.37 0.00 0.02 0.00 0.00 57.03 56.19 2wtm h ASP 228 Cb 1.25 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.58 2wtm h ASP 228 CO 0.37 0.57 -2.15 1.41 -1.72 0.00 0.00 179.24 177.71 2wtm n HIS 229 N -4.39 0.73 -2.68 4.55 8.25 -1.26 -4.74 115.22 115.68 2wtm n HIS 229 Ca 0.05 0.17 -0.09 0.00 -0.26 0.00 0.00 57.72 57.59 2wtm n HIS 229 Cb 0.11 -1.10 0.03 0.00 1.12 0.00 0.00 29.99 30.15 2wtm n HIS 229 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2wtm n HIS 230 N -3.31 0.96 -0.24 4.41 8.25 -1.25 -4.90 115.22 119.16 2wtm n HIS 230 Ca -0.35 -2.80 0.15 0.00 -0.26 0.00 0.00 57.72 54.47 2wtm n HIS 230 Cb 1.04 -0.30 0.46 0.00 1.12 0.00 0.00 29.99 32.30 2wtm n HIS 230 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2wtm h LEU 231 N 2.96 0.50 -2.26 2.41 5.85 -1.83 -0.89 115.31 122.05 2wtm h LEU 231 Ca -0.10 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 2wtm h LEU 231 Cb 1.18 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 2wtm h LEU 231 CO 0.48 0.23 -0.01 1.05 -0.34 0.00 0.00 178.44 179.85 2wtm h GLU 232 N 0.52 0.00 -0.02 1.25 9.09 -1.90 -1.08 114.58 122.44 2wtm h GLU 232 Ca 0.44 0.00 -0.18 0.00 0.05 0.00 0.00 59.36 59.67 2wtm h GLU 232 Cb 0.92 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.01 2wtm h GLU 232 CO -0.18 0.01 -0.78 -0.07 0.05 0.00 0.00 179.01 178.04 2wtm h LEU 233 N 0.00 0.25 0.02 3.06 3.38 -1.57 -0.92 115.31 119.54 2wtm h LEU 233 Ca -0.00 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 2wtm h LEU 233 Cb 0.02 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2wtm h LEU 233 CO 0.00 0.93 -0.01 0.58 0.09 0.00 0.00 178.44 180.03 2wtm h VAL 234 N 0.13 1.13 -0.89 1.22 2.07 -1.22 -2.30 116.25 116.39 2wtm h VAL 234 Ca -0.03 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 2wtm h VAL 234 Cb 1.36 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 32.55 2wtm h VAL 234 CO 0.12 0.12 0.48 0.71 0.02 0.00 0.00 177.57 179.02 2wtm h THR 235 N -0.24 1.26 -0.71 2.57 1.35 -1.30 -1.17 112.91 114.66 2wtm h THR 235 Ca -0.00 -0.65 0.01 0.00 -0.55 0.00 0.00 66.41 65.22 2wtm h THR 235 Cb 0.23 0.07 -0.04 0.00 -1.73 0.00 0.00 68.15 66.68 2wtm h THR 235 CO 0.01 0.29 0.47 -0.08 -0.25 0.00 0.00 175.52 175.96 2wtm h GLU 236 N 1.24 0.93 -0.60 4.72 4.57 -1.19 0.78 114.58 125.03 2wtm h GLU 236 Ca 0.31 -0.06 -0.10 0.00 -1.18 0.00 0.00 59.36 58.34 2wtm h GLU 236 Cb 0.04 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.40 2wtm h GLU 236 CO -0.05 0.61 -0.01 0.00 -1.18 0.00 0.00 179.01 178.39 2wtm h ALA 237 N 1.26 0.85 -0.42 2.92 0.00 -0.83 -1.13 119.26 121.92 2wtm h ALA 237 Ca 0.26 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2wtm h ALA 237 Cb -0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2wtm h ALA 237 CO -0.06 0.67 0.18 0.28 0.00 0.00 0.00 179.25 180.32 2wtm h VAL 238 N 0.96 1.19 -0.00 0.00 2.07 -0.80 -1.56 116.25 118.12 2wtm h VAL 238 Ca 0.17 -0.57 0.03 0.00 0.82 0.00 0.00 66.70 67.15 2wtm h VAL 238 Cb 0.56 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 2wtm h VAL 238 CO 0.03 0.21 -0.22 0.50 0.02 0.00 0.00 177.57 178.12 2wtm h LYS 239 N 0.54 -0.33 -0.56 1.57 3.64 -0.59 -1.03 116.57 119.81 2wtm h LYS 239 Ca 0.14 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.57 2wtm h LYS 239 Cb 0.16 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 2wtm h LYS 239 CO -0.01 -0.22 0.35 0.93 -2.27 0.00 0.00 179.45 178.22 2wtm h GLU 240 N -0.35 0.67 -0.45 1.90 5.08 -1.11 -0.71 114.58 119.61 2wtm h GLU 240 Ca 0.06 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2wtm h GLU 240 Cb 0.43 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2wtm h GLU 240 CO -0.20 0.44 0.17 0.35 -1.00 0.00 0.00 179.01 178.78 2wtm h PHE 241 N 0.69 0.70 -0.06 4.33 3.57 -1.12 -2.53 116.94 122.51 2wtm h PHE 241 Ca 0.22 -0.06 -0.16 0.00 3.53 0.00 0.00 57.97 61.51 2wtm h PHE 241 Cb 0.00 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 2wtm h PHE 241 CO -0.05 0.60 -0.66 0.52 -2.23 0.00 0.00 178.31 176.49 2wtm h MET 242 N 0.59 0.26 -0.91 1.11 2.86 -0.98 -1.68 114.93 116.18 2wtm h MET 242 Ca 0.15 -0.20 0.04 0.00 -2.06 0.00 0.00 59.70 57.63 2wtm h MET 242 Cb 0.21 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.85 2wtm h MET 242 CO -0.01 0.83 0.59 -0.07 1.06 0.00 0.00 176.91 179.31 2wtm h LEU 243 N 0.19 0.96 -0.67 1.22 3.38 -1.01 0.45 115.31 119.83 2wtm h LEU 243 Ca -0.01 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2wtm h LEU 243 Cb 1.20 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 2wtm h LEU 243 CO 0.10 0.65 0.01 -0.33 0.09 0.00 0.00 178.44 178.97 2wtm h GLU 244 N 1.12 1.05 -0.32 1.13 5.08 -1.10 -2.38 114.58 119.16 2wtm h GLU 244 Ca 0.37 -0.32 -0.17 0.00 -1.00 0.00 0.00 59.36 58.24 2wtm h GLU 244 Cb 0.05 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 2wtm h GLU 244 CO -0.13 1.02 -0.48 1.96 -1.00 0.00 0.00 179.01 180.38 2wtm h GLN 245 N 0.96 0.88 0.00 2.33 1.08 -0.33 -2.79 115.11 117.25 2wtm h GLN 245 Ca 0.17 -0.53 -0.03 0.00 -1.45 0.00 0.00 58.65 56.82 2wtm h GLN 245 Cb 0.54 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 28.01 2wtm h GLN 245 CO 0.03 1.17 -0.16 0.82 -0.95 0.00 0.00 178.83 179.74 2wtm h ILE 246 N 0.67 0.75 0.00 2.54 2.04 -0.94 -1.82 117.51 120.76 2wtm h ILE 246 Ca 0.03 -0.63 -0.05 0.00 1.00 0.00 0.00 64.86 65.21 2wtm h ILE 246 Cb 1.08 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 2wtm h ILE 246 CO 0.11 0.16 -0.24 0.00 0.00 0.00 0.00 178.15 178.18 2wtm h ALA 247 N 1.84 0.87 -0.00 1.87 0.00 -1.28 -3.51 119.26 119.05 2wtm h ALA 247 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2wtm h ALA 247 Cb 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2wtm h ALA 247 CO 0.02 0.30 0.00 0.36 0.00 0.00 0.00 179.25 179.93