#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wtm s ALA 0 N 0.00 3.96 0.20 4.61 0.00 -1.26 -0.63 121.76 128.64 2wtm s ALA 0 Ca 0.00 -0.77 -0.18 0.00 0.00 0.00 0.00 51.96 51.01 2wtm s ALA 0 Cb 0.00 -1.90 0.03 0.00 0.00 0.00 0.00 23.12 21.25 2wtm s ALA 0 CO 0.00 0.79 0.54 0.00 0.00 0.00 0.00 175.76 177.10 2wtm s MET 1 N -2.54 1.41 -0.14 0.00 0.00 -0.00 -4.98 119.30 113.05 2wtm s MET 1 Ca 0.36 -0.86 -0.03 0.00 0.00 0.00 0.00 55.69 55.16 2wtm s MET 1 Cb -0.13 0.53 -0.03 0.00 0.00 0.00 0.00 34.83 35.20 2wtm s MET 1 CO 0.27 -0.61 -0.03 0.71 0.00 0.00 0.00 175.02 175.37 2wtm s TYR 2 N -3.87 3.05 -0.28 3.16 2.02 -1.26 -0.91 117.35 119.27 2wtm s TYR 2 Ca 0.09 -0.17 -0.10 0.00 -0.37 0.00 0.00 57.07 56.52 2wtm s TYR 2 Cb -0.01 -1.92 -0.04 0.00 -0.40 0.00 0.00 41.96 39.59 2wtm s TYR 2 CO -0.02 0.08 0.15 0.42 -1.57 0.00 0.00 175.55 174.60 2wtm s ILE 3 N 0.10 4.89 0.27 2.71 1.01 0.38 -4.90 121.20 125.67 2wtm s ILE 3 Ca 0.00 -0.03 -0.29 0.00 0.00 0.00 0.00 60.65 60.32 2wtm s ILE 3 Cb -0.13 -3.34 -0.10 0.00 0.01 0.00 0.00 42.46 38.90 2wtm s ILE 3 CO 0.02 0.25 1.22 -0.62 0.00 0.00 0.00 174.94 175.81 2wtm s ASP 4 N 1.69 7.02 -0.42 3.58 2.15 -1.26 -0.89 116.67 128.54 2wtm s ASP 4 Ca 0.06 2.43 0.02 0.00 0.43 0.00 0.00 52.55 55.50 2wtm s ASP 4 Cb -0.16 -2.63 0.15 0.00 -0.30 0.00 0.00 42.92 39.98 2wtm s ASP 4 CO 0.08 -0.37 0.26 0.00 -0.17 0.00 0.00 175.17 174.98 2wtm n ASP 6 N 3.50 0.00 0.00 0.00 8.00 -1.26 -0.98 116.55 125.81 2wtm n ASP 6 Ca 0.14 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.70 2wtm n ASP 6 Cb 0.38 0.00 0.36 0.00 -0.02 0.00 0.00 41.12 41.84 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 0.00 -0.78 3.13 0.44 0.00 -1.26 -4.77 105.19 101.95 2wtm n GLY 7 Ca 0.00 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 1.98 -0.11 -0.61 -1.09 -0.16 -5.04 121.20 114.18 2wtm s ILE 8 Ca 0.18 -0.91 -0.24 0.00 -2.23 0.00 0.00 60.65 57.45 2wtm s ILE 8 Cb 0.08 -1.78 -0.03 0.00 -1.58 0.00 0.00 42.46 39.15 2wtm s ILE 8 CO 0.14 0.53 0.74 -0.54 -1.23 0.00 0.00 174.94 174.58 2wtm s LYS 9 N 1.09 4.38 -0.32 2.79 1.02 -1.26 -0.45 119.74 126.99 2wtm s LYS 9 Ca -0.01 0.91 -0.11 0.00 0.02 0.00 0.00 55.97 56.79 2wtm s LYS 9 Cb -0.14 -3.50 -0.01 0.00 -0.52 0.00 0.00 37.83 33.66 2wtm s LYS 9 CO -0.07 -0.08 0.19 -0.51 -0.92 0.00 0.00 175.35 173.95 2wtm s LEU 10 N 1.30 4.25 0.27 3.17 1.43 -0.06 -1.25 118.68 127.79 2wtm s LEU 10 Ca 0.37 -0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 52.73 2wtm s LEU 10 Cb -0.17 -2.06 -0.10 0.00 0.03 0.00 0.00 46.19 43.89 2wtm s LEU 10 CO 0.16 -0.20 1.40 0.21 0.23 0.00 0.00 176.35 178.15 2wtm s ASN 11 N 1.66 6.70 0.05 2.29 2.47 -1.26 -0.47 114.94 126.38 2wtm s ASN 11 Ca 0.05 2.66 -0.12 0.00 0.42 0.00 0.00 52.86 55.87 2wtm s ASN 11 Cb -0.17 -2.63 0.01 0.00 -1.45 0.00 0.00 41.25 37.01 2wtm s ASN 11 CO 0.08 -0.65 0.26 0.00 -3.72 0.00 0.00 177.10 173.08 2wtm s ALA 12 N -0.31 -0.56 -0.14 1.71 0.00 -0.08 -1.12 121.76 121.25 2wtm s ALA 12 Ca 0.56 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.41 2wtm s ALA 12 Cb -0.41 0.33 0.02 0.00 0.00 0.00 0.00 23.12 23.05 2wtm s ALA 12 CO 0.46 -0.41 -0.18 0.71 0.00 0.00 0.00 175.76 176.34 2wtm s TYR 13 N -2.66 2.42 -0.25 0.00 2.02 0.36 -0.82 117.35 118.41 2wtm s TYR 13 Ca -0.04 -1.28 -0.09 0.00 -0.37 0.00 0.00 57.07 55.29 2wtm s TYR 13 Cb -0.01 -1.70 -0.04 0.00 -0.40 0.00 0.00 41.96 39.82 2wtm s TYR 13 CO -0.04 -0.63 0.12 -1.17 -1.57 0.00 0.00 175.55 172.26 2wtm s LEU 14 N 1.09 3.81 -0.09 -1.29 2.96 0.20 -1.47 118.68 123.88 2wtm s LEU 14 Ca -0.02 -0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 2wtm s LEU 14 Cb -0.14 -2.03 0.00 0.00 0.50 0.00 0.00 46.19 44.52 2wtm s LEU 14 CO -0.06 0.01 -0.21 -1.81 -1.32 0.00 0.00 176.35 172.97 2wtm s ASP 15 N 1.36 2.73 0.16 3.68 1.01 -0.29 -0.46 116.67 124.85 2wtm s ASP 15 Ca 0.06 -0.49 0.03 0.00 0.71 0.00 0.00 52.55 52.86 2wtm s ASP 15 Cb -0.15 -1.25 -0.03 0.00 1.01 0.00 0.00 42.92 42.50 2wtm s ASP 15 CO 0.06 0.12 0.28 -0.04 0.21 0.00 0.00 175.17 175.80 2wtm s MET 16 N 0.44 3.38 0.64 8.23 -1.94 -1.26 -0.79 119.30 128.00 2wtm s MET 16 Ca -0.18 -0.65 -0.18 0.00 -1.71 0.00 0.00 55.69 52.97 2wtm s MET 16 Cb -0.17 -2.92 -0.01 0.00 2.01 0.00 0.00 34.83 33.74 2wtm s MET 16 CO 0.07 0.50 1.25 -2.14 -0.01 0.00 0.00 175.02 174.70 2wtm s PRO 17 N -3.33 2.64 0.30 2.03 0.02 -1.26 -4.86 135.00 130.53 2wtm s PRO 17 Ca 0.34 1.93 0.03 0.00 0.02 0.00 0.00 61.00 63.32 2wtm s PRO 17 Cb -0.11 -1.87 0.75 0.00 0.02 0.00 0.00 34.50 33.29 2wtm s PRO 17 CO 0.28 -1.49 1.61 1.57 -0.33 0.00 0.00 177.00 178.64 2wtm h LYS 18 N 0.54 0.09 0.00 5.54 -0.00 -1.96 -0.86 116.57 119.93 2wtm h LYS 18 Ca -0.50 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.14 2wtm h LYS 18 Cb 1.32 -0.02 0.00 0.00 -0.00 0.00 0.00 32.23 33.52 2wtm h LYS 18 CO 0.53 0.06 0.00 0.27 -0.00 0.00 0.00 179.45 180.32 2wtm n ASN 19 N -5.35 0.00 -3.36 7.07 6.94 -1.26 -4.93 115.26 114.37 2wtm n ASN 19 Ca 0.23 -0.22 -0.12 0.00 -0.02 0.00 0.00 54.58 54.45 2wtm n ASN 19 Cb 0.74 -0.24 0.01 0.00 -2.36 0.00 0.00 39.78 37.94 2wtm n ASN 19 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 2wtm n ASN 20 N -1.24 -6.59 -4.79 0.53 0.23 -0.33 -4.94 115.26 98.13 2wtm n ASN 20 Ca 0.14 -0.48 -0.34 0.00 -0.53 0.00 0.00 54.58 53.36 2wtm n ASN 20 Cb 0.19 -4.05 -0.02 0.00 -2.08 0.00 0.00 39.78 33.83 2wtm n ASN 20 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2wtm s PRO 21 N -4.02 3.59 0.40 -0.53 0.04 -1.26 -4.95 135.00 128.26 2wtm s PRO 21 Ca 0.09 1.39 0.21 0.00 0.04 0.00 0.00 61.00 62.74 2wtm s PRO 21 Cb -0.03 -2.06 0.63 0.00 0.04 0.00 0.00 34.50 33.08 2wtm s PRO 21 CO 0.80 -0.62 1.70 1.05 0.04 0.00 0.00 177.00 179.98 2wtm h GLU 22 N 1.24 0.00 -3.96 4.56 9.09 -1.94 -3.43 114.58 120.14 2wtm h GLU 22 Ca -0.49 0.00 -0.34 0.00 0.05 0.00 0.00 59.36 58.58 2wtm h GLU 22 Cb 1.23 0.00 -0.32 0.00 -1.65 0.00 0.00 28.75 28.01 2wtm h GLU 22 CO 0.58 0.28 -0.75 0.15 0.05 0.00 0.00 179.01 179.32 2wtm s LYS 23 N -3.42 0.41 0.12 1.06 -0.14 -1.26 -4.29 119.74 112.22 2wtm s LYS 23 Ca 0.02 -0.05 -0.25 0.00 -1.36 0.00 0.00 55.97 54.33 2wtm s LYS 23 Cb 0.09 -0.48 0.07 0.00 -1.68 0.00 0.00 37.83 35.84 2wtm s LYS 23 CO 0.67 -0.03 0.77 0.00 -0.76 0.00 0.00 175.35 175.99 2wtm s PRO 25 N -3.49 1.21 -0.03 0.00 0.02 -1.26 -1.21 135.00 130.23 2wtm s PRO 25 Ca 0.05 0.78 0.01 0.00 0.02 0.00 0.00 61.00 61.86 2wtm s PRO 25 Cb -0.02 -1.81 0.02 0.00 0.02 0.00 0.00 34.50 32.72 2wtm s PRO 25 CO -0.07 -2.26 -0.02 -1.17 -0.33 0.00 0.00 177.00 173.15 2wtm s LEU 26 N -6.22 1.29 -0.20 -5.54 2.96 -0.33 -1.10 118.68 109.54 2wtm s LEU 26 Ca 0.63 -0.07 -0.04 0.00 -0.22 0.00 0.00 54.13 54.43 2wtm s LEU 26 Cb -0.18 -0.32 -0.02 0.00 0.50 0.00 0.00 46.19 46.18 2wtm s LEU 26 CO 0.57 -0.07 -0.04 0.00 -1.32 0.00 0.00 176.35 175.49 2wtm s ILE 28 N 1.08 4.69 -0.11 0.00 1.01 -0.39 -0.88 121.20 126.60 2wtm s ILE 28 Ca 0.01 2.02 0.01 0.00 0.00 0.00 0.00 60.65 62.70 2wtm s ILE 28 Cb -0.15 -4.30 0.02 0.00 0.01 0.00 0.00 42.46 38.04 2wtm s ILE 28 CO 0.00 0.25 -0.15 -0.63 0.00 0.00 0.00 174.94 174.42 2wtm s ILE 29 N 0.45 1.47 -0.17 2.92 1.01 -0.30 -0.43 121.20 126.16 2wtm s ILE 29 Ca 0.48 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 60.53 2wtm s ILE 29 Cb -0.22 -1.36 0.01 0.00 0.01 0.00 0.00 42.46 40.90 2wtm s ILE 29 CO 0.28 0.44 -0.19 -0.63 0.00 0.00 0.00 174.94 174.84 2wtm s ILE 30 N 1.10 2.21 1.07 2.92 -1.09 -0.36 -2.54 121.20 124.51 2wtm s ILE 30 Ca -0.04 -0.91 -0.18 0.00 -2.23 0.00 0.00 60.65 57.29 2wtm s ILE 30 Cb -0.14 -1.92 0.26 0.00 -1.58 0.00 0.00 42.46 39.07 2wtm s ILE 30 CO -0.03 0.53 1.17 0.00 -1.23 0.00 0.00 174.94 175.38 2wtm n HIS 31 N 4.40 -3.93 -2.90 3.97 1.44 -1.26 -1.33 115.22 115.60 2wtm n HIS 31 Ca -0.20 -1.04 -0.08 0.00 -2.01 0.00 0.00 57.72 54.38 2wtm n HIS 31 Cb 0.51 -1.05 0.03 0.00 0.12 0.00 0.00 29.99 29.60 2wtm n HIS 31 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2wtm n GLY 32 N -4.00 1.71 3.67 -1.39 0.00 -1.15 -2.48 105.19 101.56 2wtm n GLY 32 Ca 0.15 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 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 -0.57 2.15 0.00 1.61 5.36 -1.26 -0.82 117.98 124.45 2wtm s PHE 33 Ca 0.25 0.25 0.00 0.00 -0.96 0.00 0.00 56.93 56.46 2wtm s PHE 33 Cb -0.02 -3.93 0.00 0.00 -0.34 0.00 0.00 43.02 38.73 2wtm s PHE 33 CO 0.16 -3.85 0.00 0.25 -1.46 0.00 0.00 175.22 170.32 2wtm n THR 34 N 5.16 0.00 -1.96 0.12 -2.24 -1.26 -5.01 114.28 109.09 2wtm n THR 34 Ca 0.17 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.81 2wtm n THR 34 Cb 0.42 -0.05 0.08 0.00 -2.10 0.00 0.00 70.33 68.68 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 -2.00 -0.28 3.79 3.38 0.00 -0.00 -4.91 105.19 105.16 2wtm n GLY 35 Ca 0.00 -1.84 -0.04 0.00 0.00 0.00 0.00 46.02 44.13 2wtm n GLY 35 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2wtm s HIS 36 N -1.94 -0.12 -0.40 1.61 -3.43 -1.26 -3.94 115.29 105.81 2wtm s HIS 36 Ca 0.36 -0.24 0.26 0.00 -0.80 0.00 0.00 55.06 54.64 2wtm s HIS 36 Cb -0.01 0.67 0.96 0.00 -1.43 0.00 0.00 32.58 32.76 2wtm s HIS 36 CO 0.24 -0.94 1.78 0.77 -2.00 0.00 0.00 174.74 174.59 2wtm h SER 37 N 2.00 0.00 -0.60 7.38 0.02 -1.96 -2.98 113.55 117.40 2wtm h SER 37 Ca -0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2wtm h SER 37 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2wtm h SER 37 CO 0.26 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.33 2wtm n GLU 38 N -2.53 2.49 -2.00 3.45 1.02 -1.26 -4.46 120.64 117.35 2wtm n GLU 38 Ca 0.03 -2.21 -0.39 0.00 -0.02 0.00 0.00 57.16 54.57 2wtm n GLU 38 Cb 0.33 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.25 2wtm n GLU 38 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2wtm s GLU 39 N -1.24 3.68 0.23 3.49 2.02 -1.13 -4.77 118.70 120.98 2wtm s GLU 39 Ca 0.41 2.12 -0.13 0.00 0.02 0.00 0.00 54.97 57.39 2wtm s GLU 39 Cb 0.22 -2.54 0.29 0.00 0.10 0.00 0.00 34.13 32.19 2wtm s GLU 39 CO 0.27 -0.72 1.59 -0.09 0.02 0.00 0.00 175.26 176.33 2wtm h ARG 40 N 2.19 -0.03 -0.15 1.61 2.43 -1.94 -0.62 114.38 117.87 2wtm h ARG 40 Ca -0.50 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.56 2wtm h ARG 40 Cb 1.26 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 2wtm h ARG 40 CO 0.60 -0.02 -0.37 1.12 -1.51 0.00 0.00 179.97 179.79 2wtm h HIS 41 N -0.03 0.39 0.02 2.20 2.07 -1.91 -1.25 115.15 116.63 2wtm h HIS 41 Ca 0.35 -0.10 -0.00 0.00 -2.85 0.00 0.00 60.37 57.77 2wtm h HIS 41 Cb 0.58 -0.09 0.00 0.00 2.57 0.00 0.00 27.41 30.47 2wtm h HIS 41 CO -0.65 0.66 -0.01 0.82 -3.07 0.00 0.00 177.93 175.68 2wtm h ILE 42 N 0.28 1.18 -0.71 6.12 1.08 -1.58 -2.54 117.51 121.34 2wtm h ILE 42 Ca 0.03 -0.60 -0.03 0.00 -0.39 0.00 0.00 64.86 63.87 2wtm h ILE 42 Cb 0.79 1.58 -0.03 0.00 -3.07 0.00 0.00 36.82 36.09 2wtm h ILE 42 CO 0.06 0.15 0.31 0.58 -0.69 0.00 0.00 178.15 178.57 2wtm h VAL 43 N -0.28 1.23 -0.45 1.67 2.07 -1.09 -0.32 116.25 119.08 2wtm h VAL 43 Ca -0.00 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 66.82 2wtm h VAL 43 Cb 0.27 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 2wtm h VAL 43 CO 0.00 0.29 0.29 0.00 0.02 0.00 0.00 177.57 178.18 2wtm h ALA 44 N 1.32 0.56 -0.32 1.67 0.00 -1.22 0.57 119.26 121.85 2wtm h ALA 44 Ca 0.24 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2wtm h ALA 44 Cb 0.15 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2wtm h ALA 44 CO -0.03 0.01 0.10 0.28 0.00 0.00 0.00 179.25 179.62 2wtm h VAL 45 N 0.59 1.20 -0.52 0.00 2.07 -1.23 -2.06 116.25 116.30 2wtm h VAL 45 Ca 0.17 -0.64 0.09 0.00 0.82 0.00 0.00 66.70 67.14 2wtm h VAL 45 Cb -0.06 1.02 -0.07 0.00 -1.52 0.00 0.00 31.29 30.66 2wtm h VAL 45 CO -0.04 0.22 0.09 -0.61 0.02 0.00 0.00 177.57 177.25 2wtm h GLN 46 N 0.36 0.22 -0.39 1.57 -0.00 -0.79 -1.19 115.11 114.88 2wtm h GLN 46 Ca 0.10 -0.01 -0.06 0.00 -0.00 0.00 0.00 58.65 58.68 2wtm h GLN 46 Cb 0.23 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 27.65 2wtm h GLN 46 CO -0.00 0.14 -0.00 0.93 0.00 0.00 0.00 178.83 179.90 2wtm h GLU 47 N 0.22 0.69 -0.46 1.69 5.08 -0.79 -1.17 114.58 119.85 2wtm h GLU 47 Ca 0.26 -0.22 0.07 0.00 -1.00 0.00 0.00 59.36 58.47 2wtm h GLU 47 Cb 0.37 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 2wtm h GLU 47 CO -0.35 0.79 0.11 1.15 -1.00 0.00 0.00 179.01 179.71 2wtm h THR 48 N 0.52 0.78 -0.24 1.13 2.02 -1.13 -1.15 112.91 114.83 2wtm h THR 48 Ca 0.11 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 2wtm h THR 48 Cb 0.48 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 2wtm h THR 48 CO 0.02 0.05 0.14 -0.07 0.37 0.00 0.00 175.52 176.03 2wtm h LEU 49 N 0.26 0.29 -1.33 2.58 3.38 -0.77 -2.60 115.31 117.13 2wtm h LEU 49 Ca 0.22 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.15 2wtm h LEU 49 Cb 0.27 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2wtm h LEU 49 CO -0.27 0.27 0.47 0.78 0.09 0.00 0.00 178.44 179.77 2wtm h ASN 50 N 0.29 0.76 -0.12 -0.43 -0.26 -0.97 -1.34 115.58 113.52 2wtm h ASN 50 Ca 0.09 -0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.78 2wtm h ASN 50 Cb 0.04 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.10 2wtm h ASN 50 CO -0.02 0.54 -0.00 -0.08 -1.06 0.00 0.00 177.43 176.81 2wtm h GLU 51 N 0.89 0.32 -0.28 0.81 4.81 -0.83 -2.16 114.58 118.14 2wtm h GLU 51 Ca 0.27 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2wtm h GLU 51 Cb -0.00 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.32 2wtm h GLU 51 CO -0.07 0.36 0.00 0.44 -0.73 0.00 0.00 179.01 179.01 2wtm n ILE 52 N -4.35 0.37 -0.03 2.32 -5.35 -0.96 -4.92 119.36 106.44 2wtm n ILE 52 Ca 0.00 -0.47 0.00 0.00 -0.27 0.00 0.00 62.75 62.01 2wtm n ILE 52 Cb 0.20 0.42 0.00 0.00 -1.74 0.00 0.00 39.64 38.52 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 1.19 0.98 3.31 3.28 0.00 -0.81 -5.05 105.19 108.10 2wtm n GLY 53 Ca 0.16 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 3.37 0.72 1.61 1.01 -0.54 -4.25 120.40 120.31 2wtm s VAL 54 Ca 0.00 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.35 2wtm s VAL 54 Cb 0.00 -2.53 0.03 0.00 0.00 0.00 0.00 36.38 33.88 2wtm s VAL 54 CO 0.00 0.43 1.11 0.00 0.00 0.00 0.00 175.10 176.64 2wtm s ALA 55 N 1.42 2.31 0.04 5.51 0.00 -0.26 -2.61 121.76 128.17 2wtm s ALA 55 Ca 0.05 0.48 0.04 0.00 0.00 0.00 0.00 51.96 52.53 2wtm s ALA 55 Cb -0.14 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 2wtm s ALA 55 CO -0.03 -1.57 -0.11 0.95 0.00 0.00 0.00 175.76 174.99 2wtm s THR 56 N -2.52 0.87 -0.31 0.00 -4.23 0.03 -0.54 115.64 108.94 2wtm s THR 56 Ca 0.65 -1.01 -0.00 0.00 -1.18 0.00 0.00 61.69 60.16 2wtm s THR 56 Cb -0.20 -0.84 0.10 0.00 1.34 0.00 0.00 72.50 72.90 2wtm s THR 56 CO 0.48 -0.15 0.09 -0.22 -0.54 0.00 0.00 174.62 174.28 2wtm s LEU 57 N -1.29 2.55 -0.13 4.79 2.96 -0.06 -1.14 118.68 126.36 2wtm s LEU 57 Ca -0.02 -1.70 -0.25 0.00 -0.22 0.00 0.00 54.13 51.93 2wtm s LEU 57 Cb -0.08 -0.96 -0.02 0.00 0.50 0.00 0.00 46.19 45.63 2wtm s LEU 57 CO 0.01 -0.41 0.81 -0.13 -1.32 0.00 0.00 176.35 175.31 2wtm s ARG 58 N 1.53 4.35 -0.07 1.98 0.52 -0.54 -1.15 118.95 125.56 2wtm s ARG 58 Ca 0.10 1.01 0.04 0.00 -0.52 0.00 0.00 55.73 56.36 2wtm s ARG 58 Cb -0.17 -3.54 0.00 0.00 0.52 0.00 0.00 34.95 31.76 2wtm s ARG 58 CO -0.23 -0.21 -0.18 0.00 0.02 0.00 0.00 175.30 174.69 2wtm s ALA 59 N 1.74 1.69 -0.10 2.13 0.00 -1.05 -0.49 121.76 125.68 2wtm s ALA 59 Ca 0.39 -0.71 -0.29 0.00 0.00 0.00 0.00 51.96 51.36 2wtm s ALA 59 Cb -0.17 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.30 2wtm s ALA 59 CO 0.15 0.24 0.96 -0.51 0.00 0.00 0.00 175.76 176.59 2wtm s ASP 60 N 0.33 7.20 0.78 0.00 1.01 -0.28 -4.44 116.67 121.27 2wtm s ASP 60 Ca -0.12 1.47 -0.10 0.00 0.71 0.00 0.00 52.55 54.51 2wtm s ASP 60 Cb -0.15 -2.53 0.08 0.00 1.01 0.00 0.00 42.92 41.32 2wtm s ASP 60 CO 0.05 -0.39 1.13 -0.04 0.21 0.00 0.00 175.17 176.14 2wtm s MET 61 N 1.79 2.02 -0.00 8.23 -1.94 -1.26 -4.25 119.30 123.89 2wtm s MET 61 Ca 0.47 0.00 -0.39 0.00 -1.71 0.00 0.00 55.69 54.06 2wtm s MET 61 Cb -0.18 -2.01 -0.18 0.00 2.01 0.00 0.00 34.83 34.46 2wtm s MET 61 CO 0.19 -1.50 1.25 0.98 -0.01 0.00 0.00 175.02 175.92 2wtm n TYR 62 N -3.21 1.14 -1.04 -0.03 9.36 -1.26 -1.48 117.16 120.64 2wtm n TYR 62 Ca 0.08 0.86 -0.01 0.00 3.32 0.00 0.00 57.90 62.15 2wtm n TYR 62 Cb 0.61 -2.22 -0.01 0.00 -0.63 0.00 0.00 39.34 37.09 2wtm n TYR 62 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2wtm n GLY 63 N 2.20 0.49 3.14 2.98 0.00 -0.31 -4.80 105.19 108.88 2wtm n GLY 63 Ca 0.20 -0.23 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 2wtm n GLY 63 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wtm s HIS 64 N -1.88 1.04 0.00 1.61 3.76 -0.55 -3.33 115.29 115.94 2wtm s HIS 64 Ca 0.00 -0.48 0.00 0.00 -0.15 0.00 0.00 55.06 54.43 2wtm s HIS 64 Cb 0.00 -0.59 0.00 0.00 1.11 0.00 0.00 32.58 33.10 2wtm s HIS 64 CO 0.00 0.01 0.00 0.41 -0.85 0.00 0.00 174.74 174.31 2wtm n GLY 65 N 1.32 3.19 1.82 -2.22 0.00 -1.25 -1.24 105.19 106.81 2wtm n GLY 65 Ca -0.22 -0.19 0.08 0.00 0.00 0.00 0.00 46.02 45.69 2wtm n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wtm n LYS 66 N 14.00 4.62 -2.42 1.61 5.02 -1.26 -4.96 118.16 134.76 2wtm n LYS 66 Ca 0.00 -3.07 -0.27 0.00 -2.02 0.00 0.00 58.31 52.95 2wtm n LYS 66 Cb 0.00 -2.18 0.02 0.00 -0.02 0.00 0.00 35.03 32.85 2wtm n LYS 66 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2wtm s SER 67 N -0.80 5.76 1.08 4.39 0.01 -0.38 -4.39 113.70 119.37 2wtm s SER 67 Ca 0.54 0.79 -0.13 0.00 1.31 0.00 0.00 55.95 58.46 2wtm s SER 67 Cb 0.39 -1.85 0.23 0.00 0.21 0.00 0.00 66.02 65.00 2wtm s SER 67 CO 0.18 -0.95 1.06 -1.81 0.41 0.00 0.00 173.24 172.13 2wtm s ASP 68 N -4.26 1.87 0.00 2.44 1.01 -0.38 -4.54 116.67 112.81 2wtm s ASP 68 Ca 0.53 1.31 0.00 0.00 0.71 0.00 0.00 52.55 55.09 2wtm s ASP 68 Cb -0.10 -2.03 0.00 0.00 1.01 0.00 0.00 42.92 41.80 2wtm s ASP 68 CO 0.45 -3.62 0.00 0.61 0.21 0.00 0.00 175.17 172.82 2wtm n GLY 69 N -0.30 -0.62 3.86 0.21 0.00 -1.26 -1.17 105.19 105.91 2wtm n GLY 69 Ca 0.04 -1.61 -0.37 0.00 0.00 0.00 0.00 46.02 44.08 2wtm n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wtm s LYS 70 N -3.17 3.70 0.29 1.61 1.02 -1.26 -3.73 119.74 118.19 2wtm s LYS 70 Ca 0.00 0.16 0.03 0.00 0.02 0.00 0.00 55.97 56.18 2wtm s LYS 70 Cb 0.00 -3.19 0.69 0.00 -0.52 0.00 0.00 37.83 34.81 2wtm s LYS 70 CO 0.00 0.72 1.73 0.35 -0.92 0.00 0.00 175.35 177.23 2wtm h PHE 71 N 4.71 0.78 0.00 3.18 3.57 -1.88 0.47 116.94 127.77 2wtm h PHE 71 Ca -0.53 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.00 2wtm h PHE 71 Cb 1.22 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.75 2wtm h PHE 71 CO 0.72 0.07 -0.06 1.05 -2.23 0.00 0.00 178.31 177.86 2wtm h GLU 72 N 0.53 0.00 -0.26 1.11 4.11 -1.89 -1.82 114.58 116.37 2wtm h GLU 72 Ca 0.54 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.97 2wtm h GLU 72 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2wtm h GLU 72 CO -0.45 0.06 0.00 -0.25 0.07 0.00 0.00 179.01 178.44 2wtm n ASP 73 N -3.63 2.97 -4.81 3.06 8.00 0.15 -1.55 116.55 120.74 2wtm n ASP 73 Ca -0.02 -1.93 -0.33 0.00 0.71 0.00 0.00 54.79 53.22 2wtm n ASP 73 Cb 0.17 -0.16 -0.05 0.00 -0.02 0.00 0.00 41.12 41.06 2wtm n ASP 73 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2wtm s HIS 74 N -1.68 3.14 0.21 1.24 -3.43 -0.69 -4.98 115.29 109.11 2wtm s HIS 74 Ca 0.35 1.58 -0.07 0.00 -0.80 0.00 0.00 55.06 56.13 2wtm s HIS 74 Cb 0.21 -2.96 -0.02 0.00 -1.43 0.00 0.00 32.58 28.38 2wtm s HIS 74 CO 0.31 -0.52 0.29 0.95 -2.00 0.00 0.00 174.74 173.76 2wtm s THR 75 N -2.10 0.02 0.37 -5.38 -4.23 -1.26 -4.50 115.64 98.55 2wtm s THR 75 Ca 0.65 -1.66 0.11 0.00 -1.18 0.00 0.00 61.69 59.60 2wtm s THR 75 Cb -0.13 -2.25 0.11 0.00 1.34 0.00 0.00 72.50 71.57 2wtm s THR 75 CO 0.18 -0.07 1.85 -0.07 -0.54 0.00 0.00 174.62 175.96 2wtm h LEU 76 N 2.48 0.09 -0.39 4.79 3.38 -1.94 -1.26 115.31 122.46 2wtm h LEU 76 Ca -0.31 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 2wtm h LEU 76 Cb 1.24 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 2wtm h LEU 76 CO 0.46 0.39 0.09 -0.26 0.09 0.00 0.00 178.44 179.21 2wtm h PHE 77 N 0.08 0.65 -0.26 1.13 -1.00 -1.96 0.01 116.94 115.60 2wtm h PHE 77 Ca 0.01 -0.08 0.01 0.00 2.81 0.00 0.00 57.97 60.72 2wtm h PHE 77 Cb 0.58 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 39.94 2wtm h PHE 77 CO 0.00 0.63 0.16 0.87 -1.61 0.00 0.00 178.31 178.37 2wtm h LYS 78 N 0.48 0.32 -0.89 1.51 1.57 -1.83 -0.90 116.57 116.84 2wtm h LYS 78 Ca 0.12 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.94 2wtm h LYS 78 Cb 0.31 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.49 2wtm h LYS 78 CO 0.00 0.21 0.56 -1.49 -0.57 0.00 0.00 179.45 178.16 2wtm h TRP 79 N 0.33 1.03 -0.46 -1.35 4.06 -1.17 0.67 115.95 119.06 2wtm h TRP 79 Ca 0.10 0.03 -0.14 0.00 2.06 0.00 0.00 58.89 60.94 2wtm h TRP 79 Cb -0.02 -0.33 -0.01 0.00 -1.00 0.00 0.00 29.16 27.79 2wtm h TRP 79 CO -0.07 0.53 -0.25 -0.07 -3.56 0.00 0.00 178.44 175.02 2wtm h LEU 80 N 1.02 1.02 -0.36 -4.49 3.38 -0.67 -0.02 115.31 115.19 2wtm h LEU 80 Ca 0.38 -0.41 0.07 0.00 0.09 0.00 0.00 57.88 58.01 2wtm h LEU 80 Cb 0.15 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.55 2wtm h LEU 80 CO -0.17 1.21 -0.08 0.74 0.09 0.00 0.00 178.44 180.23 2wtm h THR 81 N 0.83 0.65 -0.26 0.22 2.02 -0.77 -0.79 112.91 114.80 2wtm h THR 81 Ca 0.10 -0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.31 2wtm h THR 81 Cb 0.84 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 2wtm h THR 81 CO 0.07 0.00 0.06 0.78 0.37 0.00 0.00 175.52 176.80 2wtm h ASN 82 N 0.01 0.03 -0.65 4.18 -0.26 -0.43 -1.76 115.58 116.69 2wtm h ASN 82 Ca 0.17 0.04 -0.08 0.00 -0.56 0.00 0.00 56.30 55.87 2wtm h ASN 82 Cb 0.26 0.05 -0.03 0.00 -1.06 0.00 0.00 38.32 37.55 2wtm h ASN 82 CO -0.36 0.05 0.10 0.40 -1.06 0.00 0.00 177.43 176.56 2wtm h ILE 83 N 0.16 1.26 -0.92 2.81 2.04 -0.57 -0.64 117.51 121.65 2wtm h ILE 83 Ca 0.12 -1.04 0.08 0.00 1.00 0.00 0.00 64.86 65.02 2wtm h ILE 83 Cb 0.12 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 36.77 2wtm h ILE 83 CO -0.15 0.39 0.60 -0.07 0.00 0.00 0.00 178.15 178.91 2wtm h LEU 84 N 1.02 0.91 -0.80 1.44 3.38 -0.91 0.95 115.31 121.30 2wtm h LEU 84 Ca 0.20 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.11 2wtm h LEU 84 Cb 0.44 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2wtm h LEU 84 CO 0.01 0.57 0.06 0.00 0.09 0.00 0.00 178.44 179.17 2wtm h ALA 85 N 1.51 1.00 -0.12 1.53 0.00 -0.40 -0.51 119.26 122.27 2wtm h ALA 85 Ca 0.41 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 2wtm h ALA 85 Cb 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2wtm h ALA 85 CO -0.16 0.63 -0.43 0.28 0.00 0.00 0.00 179.25 179.56 2wtm h VAL 86 N 0.91 1.36 -0.97 0.00 2.07 -0.18 -1.58 116.25 117.87 2wtm h VAL 86 Ca 0.18 -1.73 0.07 0.00 0.82 0.00 0.00 66.70 66.03 2wtm h VAL 86 Cb 0.44 2.12 -0.06 0.00 -1.52 0.00 0.00 31.29 32.26 2wtm h VAL 86 CO 0.02 0.52 0.63 0.58 0.02 0.00 0.00 177.57 179.33 2wtm h VAL 87 N 0.12 1.07 -0.28 2.57 2.07 -0.71 -0.68 116.25 120.41 2wtm h VAL 87 Ca -0.02 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 67.03 2wtm h VAL 87 Cb 1.06 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 2wtm h VAL 87 CO 0.09 0.20 -0.22 0.44 0.02 0.00 0.00 177.57 178.10 2wtm h ASP 88 N 1.11 0.51 -0.07 0.57 3.32 -0.91 -0.72 116.42 120.23 2wtm h ASP 88 Ca 0.42 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 2wtm h ASP 88 Cb 0.20 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 2wtm h ASP 88 CO -0.17 0.74 -0.02 0.22 -1.72 0.00 0.00 179.24 178.29 2wtm h TYR 89 N 0.46 0.16 -0.77 4.55 3.20 -0.95 -3.24 116.97 120.38 2wtm h TYR 89 Ca 0.07 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 2wtm h TYR 89 Cb 0.64 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.83 2wtm h TYR 89 CO 0.02 0.48 0.48 0.00 -1.64 0.00 0.00 178.16 177.50 2wtm h ALA 90 N 0.66 1.39 0.00 1.82 0.00 -0.57 -2.15 119.26 120.40 2wtm h ALA 90 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2wtm h ALA 90 Cb 0.43 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2wtm h ALA 90 CO 0.01 0.54 0.00 0.87 0.00 0.00 0.00 179.25 180.67 2wtm h LYS 91 N 1.06 0.00 -0.01 0.00 1.57 -1.18 -1.88 116.57 116.13 2wtm h LYS 91 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2wtm h LYS 91 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2wtm h LYS 91 CO -0.05 0.00 -0.19 1.63 -0.57 0.00 0.00 179.45 180.26 2wtm n LYS 92 N -2.56 1.24 -2.74 3.15 5.02 -0.81 -4.90 118.16 116.55 2wtm n LYS 92 Ca 0.00 -0.81 -0.42 0.00 -2.02 0.00 0.00 58.31 55.06 2wtm n LYS 92 Cb 0.17 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 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 -2.31 4.19 0.35 -0.35 1.43 -0.71 -4.93 118.68 116.35 2wtm s LEU 93 Ca 0.28 1.39 0.06 0.00 -1.03 0.00 0.00 54.13 54.83 2wtm s LEU 93 Cb 0.20 -3.45 0.67 0.00 0.03 0.00 0.00 46.19 43.63 2wtm s LEU 93 CO 0.46 -0.48 1.89 0.44 0.23 0.00 0.00 176.35 178.89 2wtm h ASP 94 N 7.25 0.41 1.14 2.29 3.32 -1.90 -2.65 116.42 126.27 2wtm h ASP 94 Ca -0.28 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 56.69 2wtm h ASP 94 Cb 1.12 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.57 2wtm h ASP 94 CO 0.88 0.50 -0.01 2.19 -1.72 0.00 0.00 179.24 181.08 2wtm h PHE 95 N 0.41 0.00 -3.14 4.55 -5.15 -1.92 -3.46 116.94 108.23 2wtm h PHE 95 Ca 0.09 0.00 -0.53 0.00 -0.20 0.00 0.00 57.97 57.33 2wtm h PHE 95 Cb 0.34 0.00 0.03 0.00 0.22 0.00 0.00 35.95 36.53 2wtm h PHE 95 CO 0.01 0.01 0.70 0.08 -2.00 0.00 0.00 178.31 177.11 2wtm s VAL 96 N -3.61 3.25 0.00 0.88 1.01 -1.00 -1.50 120.40 119.43 2wtm s VAL 96 Ca 0.02 0.94 0.00 0.00 0.00 0.00 0.00 61.98 62.94 2wtm s VAL 96 Cb 0.08 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.86 2wtm s VAL 96 CO 0.56 0.10 0.00 0.35 0.00 0.00 0.00 175.10 176.11 2wtm n THR 97 N 3.46 0.00 -3.77 3.92 -2.24 -0.35 -4.86 114.28 110.43 2wtm n THR 97 Ca 0.10 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.59 2wtm n THR 97 Cb 0.42 -0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.40 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 6.39 -0.07 3.42 1.01 -1.26 -4.97 116.67 120.18 2wtm s ASP 98 Ca 0.00 0.37 0.02 0.00 0.71 0.00 0.00 52.55 53.65 2wtm s ASP 98 Cb 0.00 -2.00 -0.02 0.00 1.01 0.00 0.00 42.92 41.91 2wtm s ASP 98 CO 0.00 0.02 -0.13 -0.63 0.21 0.00 0.00 175.17 174.64 2wtm s ILE 99 N -1.76 3.11 0.34 0.77 1.01 -1.26 -1.19 121.20 122.22 2wtm s ILE 99 Ca 0.38 -0.69 0.08 0.00 0.00 0.00 0.00 60.65 60.42 2wtm s ILE 99 Cb -0.11 -2.25 -0.07 0.00 0.01 0.00 0.00 42.46 40.04 2wtm s ILE 99 CO 0.28 0.57 -0.06 -0.31 0.00 0.00 0.00 174.94 175.42 2wtm s TYR 100 N -0.42 2.33 0.04 3.97 2.02 0.56 -0.83 117.35 125.01 2wtm s TYR 100 Ca 0.05 -0.58 0.04 0.00 -0.37 0.00 0.00 57.07 56.21 2wtm s TYR 100 Cb -0.12 -1.40 -0.02 0.00 -0.40 0.00 0.00 41.96 40.01 2wtm s TYR 100 CO 0.02 0.48 -0.13 -1.64 -1.57 0.00 0.00 175.55 172.71 2wtm s MET 101 N -3.66 0.87 0.00 -0.62 -1.94 -1.05 -1.26 119.30 111.64 2wtm s MET 101 Ca 0.33 -0.73 -0.10 0.00 -1.71 0.00 0.00 55.69 53.48 2wtm s MET 101 Cb 0.04 -0.86 0.01 0.00 2.01 0.00 0.00 34.83 36.04 2wtm s MET 101 CO 0.16 0.21 0.20 0.00 -0.01 0.00 0.00 175.02 175.58 2wtm s ALA 102 N -0.86 -0.48 -0.08 3.03 0.00 0.43 -0.53 121.76 123.28 2wtm s ALA 102 Ca 0.01 -0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.66 2wtm s ALA 102 Cb -0.08 0.12 0.10 0.00 0.00 0.00 0.00 23.12 23.26 2wtm s ALA 102 CO 0.01 -0.24 0.83 0.20 0.00 0.00 0.00 175.76 176.56 2wtm s GLY 103 N -1.45 -0.44 -0.14 0.00 0.00 -0.87 -1.23 107.32 103.19 2wtm s GLY 103 Ca -0.13 1.54 -0.04 0.00 0.00 0.00 0.00 44.72 46.08 2wtm s GLY 103 CO 0.02 0.88 0.01 -1.58 0.00 0.00 0.00 173.10 172.42 2wtm s HIS 104 N -1.51 3.14 0.00 1.90 2.46 -0.44 -0.44 115.29 120.39 2wtm s HIS 104 Ca -0.05 -0.04 0.00 0.00 0.47 0.00 0.00 55.06 55.45 2wtm s HIS 104 Cb -0.00 -1.95 0.00 0.00 -0.13 0.00 0.00 32.58 30.50 2wtm s HIS 104 CO 0.03 0.17 0.00 0.45 -2.47 0.00 0.00 174.74 172.92 2wtm n SER 105 N 3.13 0.00 -0.03 9.88 2.88 0.01 -0.08 113.62 129.41 2wtm n SER 105 Ca -0.17 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.53 2wtm n SER 105 Cb 0.53 0.00 0.60 0.00 -0.75 0.00 0.00 64.21 64.59 2wtm n SER 105 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 2wtm h GLN 106 N 0.00 0.17 0.00 -1.46 4.15 -1.85 0.63 115.11 116.76 2wtm h GLN 106 Ca 0.00 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.32 2wtm h GLN 106 Cb 0.00 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 2wtm h GLN 106 CO 0.00 0.12 -0.42 0.78 -1.93 0.00 0.00 178.83 177.38 2wtm h GLY 107 N 0.18 0.00 0.59 2.39 0.00 -0.17 -0.46 103.07 105.61 2wtm h GLY 107 Ca 0.26 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.52 2wtm h GLY 107 CO -0.04 0.00 -0.22 -1.33 0.00 0.00 0.00 176.54 174.94 2wtm h GLY 108 N 1.49 0.27 0.33 4.60 0.00 -0.82 -0.96 103.07 107.98 2wtm h GLY 108 Ca -0.00 -0.37 0.07 0.00 0.00 0.00 0.00 47.33 47.03 2wtm h GLY 108 CO 0.05 0.33 -0.02 -2.00 0.00 0.00 0.00 176.54 174.90 2wtm h LEU 109 N -0.29 -0.21 -0.54 3.11 5.85 -1.10 -1.35 115.31 120.78 2wtm h LEU 109 Ca -0.01 0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.83 2wtm h LEU 109 Cb 0.87 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 2wtm h LEU 109 CO 0.05 -0.07 0.32 0.28 -0.34 0.00 0.00 178.44 178.68 2wtm h SER 110 N 0.08 0.50 0.03 1.25 0.02 -0.90 -1.41 113.55 113.12 2wtm h SER 110 Ca 0.19 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.06 2wtm h SER 110 Cb 0.28 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 2wtm h SER 110 CO -0.34 0.35 -0.27 -0.37 -1.14 0.00 0.00 176.83 175.06 2wtm h VAL 111 N 0.62 1.26 -0.55 2.27 -1.51 -1.07 0.13 116.25 117.41 2wtm h VAL 111 Ca 0.22 -1.25 0.09 0.00 -1.23 0.00 0.00 66.70 64.53 2wtm h VAL 111 Cb 0.05 1.41 -0.07 0.00 -2.13 0.00 0.00 31.29 30.54 2wtm h VAL 111 CO -0.11 0.39 0.16 0.24 -1.23 0.00 0.00 177.57 177.02 2wtm h MET 112 N 0.34 0.30 -0.01 5.19 2.07 -0.25 0.24 114.93 122.81 2wtm h MET 112 Ca 0.05 -0.02 -0.00 0.00 -2.07 0.00 0.00 59.70 57.66 2wtm h MET 112 Cb 0.65 -0.07 -0.00 0.00 -1.87 0.00 0.00 31.60 30.31 2wtm h MET 112 CO 0.05 0.20 -0.01 -0.07 1.07 0.00 0.00 176.91 178.15 2wtm h LEU 113 N 0.31 0.03 -0.56 1.22 3.38 -1.03 -3.09 115.31 115.57 2wtm h LEU 113 Ca 0.28 -0.47 -0.11 0.00 0.09 0.00 0.00 57.88 57.67 2wtm h LEU 113 Cb 0.36 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2wtm h LEU 113 CO -0.32 0.49 -0.07 0.00 0.09 0.00 0.00 178.44 178.64 2wtm h ALA 114 N 0.54 0.77 -0.87 1.53 0.00 -0.63 -2.53 119.26 118.06 2wtm h ALA 114 Ca 0.00 -0.34 0.09 0.00 0.00 0.00 0.00 54.91 54.67 2wtm h ALA 114 Cb 0.49 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 2wtm h ALA 114 CO 0.00 0.66 0.52 0.00 0.00 0.00 0.00 179.25 180.43 2wtm h ALA 115 N 0.95 1.25 -0.45 0.00 0.00 -0.61 0.13 119.26 120.53 2wtm h ALA 115 Ca 0.15 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2wtm h ALA 115 Cb 0.64 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2wtm h ALA 115 CO 0.04 0.16 0.08 0.00 0.00 0.00 0.00 179.25 179.54 2wtm h ALA 116 N 1.46 0.60 0.00 0.00 0.00 -1.40 -0.24 119.26 119.68 2wtm h ALA 116 Ca 0.42 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2wtm h ALA 116 Cb 0.35 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2wtm h ALA 116 CO -0.24 0.32 -0.14 0.52 0.00 0.00 0.00 179.25 179.72 2wtm h MET 117 N 0.61 0.00 -0.61 0.00 2.86 -0.99 -2.94 114.93 113.87 2wtm h MET 117 Ca 0.14 0.00 -0.41 0.00 -2.06 0.00 0.00 59.70 57.37 2wtm h MET 117 Cb 0.37 0.00 -0.26 0.00 0.06 0.00 0.00 31.60 31.77 2wtm h MET 117 CO 0.01 0.14 -0.21 0.39 1.06 0.00 0.00 176.91 178.29 2wtm n GLU 118 N -3.48 2.66 0.24 1.72 -0.58 -0.02 -4.86 120.64 116.32 2wtm n GLU 118 Ca -0.01 -3.59 0.13 0.00 -0.42 0.00 0.00 57.16 53.26 2wtm n GLU 118 Cb 0.29 -2.07 0.52 0.00 -0.57 0.00 0.00 31.44 29.62 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 1.63 0.00 0.00 3.49 0.11 -0.87 0.12 114.38 118.86 2wtm h ARG 119 Ca 0.34 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.35 2wtm h ARG 119 Cb 1.44 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.51 2wtm h ARG 119 CO 0.73 0.13 -0.33 0.38 0.10 0.00 0.00 179.97 180.98 2wtm h ASP 120 N 0.00 0.00 0.00 0.08 2.03 -1.88 -3.36 116.42 113.30 2wtm h ASP 120 Ca -0.00 0.00 -0.26 0.00 -0.73 0.00 0.00 57.03 56.03 2wtm h ASP 120 Cb 0.68 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.13 2wtm h ASP 120 CO 0.02 0.33 -2.00 -0.38 -1.03 0.00 0.00 179.24 176.17 2wtm n ILE 121 N -3.74 1.01 -3.19 4.15 2.08 -0.10 -4.93 119.36 114.64 2wtm n ILE 121 Ca -0.01 -0.45 -0.41 0.00 0.56 0.00 0.00 62.75 62.44 2wtm n ILE 121 Cb 0.42 -0.99 -0.07 0.00 -0.75 0.00 0.00 39.64 38.25 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 -2.35 4.99 0.11 1.39 -1.09 -0.45 -4.13 121.20 119.66 2wtm s ILE 122 Ca -0.19 0.58 0.01 0.00 -2.23 0.00 0.00 60.65 58.82 2wtm s ILE 122 Cb 0.06 -3.97 -0.23 0.00 -1.58 0.00 0.00 42.46 36.74 2wtm s ILE 122 CO 0.46 -0.17 1.24 0.50 -1.23 0.00 0.00 174.94 175.74 2wtm h LYS 123 N 8.33 0.15 -3.40 2.79 3.64 -1.32 -3.47 116.57 123.30 2wtm h LYS 123 Ca -0.28 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 58.85 2wtm h LYS 123 Cb 1.12 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.95 2wtm h LYS 123 CO 0.78 1.08 0.00 0.00 -2.27 0.00 0.00 179.45 179.05 2wtm s ALA 124 N -2.78 -0.66 -0.04 5.00 0.00 -1.26 -4.21 121.76 117.82 2wtm s ALA 124 Ca -0.02 -0.58 -0.02 0.00 0.00 0.00 0.00 51.96 51.34 2wtm s ALA 124 Cb 0.09 0.96 0.02 0.00 0.00 0.00 0.00 23.12 24.19 2wtm s ALA 124 CO 0.85 -0.89 0.08 -1.17 0.00 0.00 0.00 175.76 174.63 2wtm s LEU 125 N -2.96 1.21 -0.48 0.00 2.96 -0.50 -2.53 118.68 116.38 2wtm s LEU 125 Ca 0.16 0.17 0.03 0.00 -0.22 0.00 0.00 54.13 54.27 2wtm s LEU 125 Cb -0.02 0.20 0.14 0.00 0.50 0.00 0.00 46.19 47.00 2wtm s LEU 125 CO 0.06 -0.09 0.27 -0.63 -1.32 0.00 0.00 176.35 174.63 2wtm s ILE 126 N 0.70 1.81 -0.24 6.68 1.01 0.31 -0.78 121.20 130.70 2wtm s ILE 126 Ca -0.06 -2.92 -0.26 0.00 0.00 0.00 0.00 60.65 57.42 2wtm s ILE 126 Cb -0.08 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 40.14 2wtm s ILE 126 CO -0.03 -0.89 0.89 -2.84 0.00 0.00 0.00 174.94 172.08 2wtm s PRO 127 N 0.01 4.20 -0.40 2.79 0.02 -1.07 -2.04 135.00 138.51 2wtm s PRO 127 Ca 0.19 1.06 -0.16 0.00 0.02 0.00 0.00 61.00 62.11 2wtm s PRO 127 Cb -0.22 -3.65 0.01 0.00 0.02 0.00 0.00 34.50 30.67 2wtm s PRO 127 CO -0.02 -0.56 0.37 -0.51 -0.33 0.00 0.00 177.00 175.95 2wtm s LEU 128 N 2.96 4.84 -1.33 -5.54 1.43 0.41 -2.59 118.68 118.87 2wtm s LEU 128 Ca 0.38 -0.65 -0.18 0.00 -1.03 0.00 0.00 54.13 52.65 2wtm s LEU 128 Cb -0.15 -2.30 0.02 0.00 0.03 0.00 0.00 46.19 43.79 2wtm s LEU 128 CO 0.07 -0.48 0.47 -1.20 0.23 0.00 0.00 176.35 175.44 2wtm n SER 129 N 5.40 -2.29 -4.75 2.29 7.64 0.19 -0.81 113.62 121.29 2wtm n SER 129 Ca -0.09 -1.21 -0.41 0.00 1.01 0.00 0.00 58.87 58.17 2wtm n SER 129 Cb 0.48 -2.13 -0.02 0.00 -1.01 0.00 0.00 64.21 61.52 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 -7.06 4.28 -0.75 1.43 0.04 -1.26 -2.78 135.00 128.88 2wtm s PRO 130 Ca 0.28 2.29 -0.08 0.00 0.04 0.00 0.00 61.00 63.53 2wtm s PRO 130 Cb -0.14 -3.11 -0.18 0.00 0.04 0.00 0.00 34.50 31.11 2wtm s PRO 130 CO 0.95 -0.39 3.28 0.00 0.04 0.00 0.00 177.00 180.87 2wtm n ALA 131 N 2.15 6.85 0.50 8.56 0.00 -0.22 -4.66 120.51 133.70 2wtm n ALA 131 Ca 0.06 -2.59 0.12 0.00 0.00 0.00 0.00 53.44 51.03 2wtm n ALA 131 Cb 0.40 -2.81 0.46 0.00 0.00 0.00 0.00 19.45 17.50 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 3.02 1.86 1.51 0.00 0.00 -1.26 -2.02 120.51 123.62 2wtm n ALA 132 Ca 0.59 0.03 0.14 0.00 0.00 0.00 0.00 53.44 54.21 2wtm n ALA 132 Cb 0.59 -1.40 0.62 0.00 0.00 0.00 0.00 19.45 19.25 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 -2.14 1.02 -0.16 0.00 2.81 -1.26 -4.40 117.12 112.99 2wtm n MET 133 Ca 0.03 -0.42 -0.03 0.00 -1.81 0.00 0.00 57.70 55.48 2wtm n MET 133 Cb 0.28 -1.49 0.04 0.00 -0.71 0.00 0.00 33.22 31.34 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 1.02 0.53 -0.45 2.02 2.04 -1.81 -0.12 117.51 120.75 2wtm h ILE 134 Ca 0.00 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 2wtm h ILE 134 Cb 0.35 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 2wtm h ILE 134 CO 0.00 0.01 0.15 -0.65 0.00 0.00 0.00 178.15 177.65 2wtm h PRO 135 N 0.03 0.69 -0.41 2.37 0.11 -1.78 0.12 132.00 133.13 2wtm h PRO 135 Ca 0.24 -0.14 -0.04 0.00 0.11 0.00 0.00 66.00 66.17 2wtm h PRO 135 Cb 0.37 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 2wtm h PRO 135 CO -0.49 0.66 0.09 1.49 -0.21 0.00 0.00 178.00 179.54 2wtm h GLU 136 N 0.58 0.66 -0.13 1.05 4.81 -1.73 -1.76 114.58 118.07 2wtm h GLU 136 Ca 0.15 -0.17 -0.12 0.00 -0.13 0.00 0.00 59.36 59.09 2wtm h GLU 136 Cb 0.25 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2wtm h GLU 136 CO -0.01 0.69 -0.43 0.82 -0.73 0.00 0.00 179.01 179.35 2wtm h ILE 137 N 0.52 1.32 -0.59 2.32 1.08 -0.94 -1.56 117.51 119.67 2wtm h ILE 137 Ca 0.13 -1.59 -0.02 0.00 -0.39 0.00 0.00 64.86 62.98 2wtm h ILE 137 Cb 0.34 1.69 -0.03 0.00 -3.07 0.00 0.00 36.82 35.75 2wtm h ILE 137 CO 0.00 0.48 0.27 0.00 -0.69 0.00 0.00 178.15 178.21 2wtm h ALA 138 N 1.29 1.37 0.00 1.87 0.00 -0.63 -1.19 119.26 121.96 2wtm h ALA 138 Ca 0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2wtm h ALA 138 Cb 0.87 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2wtm h ALA 138 CO 0.07 0.49 -0.14 0.00 0.00 0.00 0.00 179.25 179.67 2wtm h ARG 139 N 0.83 0.00 0.00 0.00 3.08 -0.40 -2.54 114.38 115.35 2wtm h ARG 139 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 2wtm h ARG 139 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2wtm h ARG 139 CO -0.02 0.14 -0.55 0.25 -1.07 0.00 0.00 179.97 178.72 2wtm n THR 140 N -3.87 0.00 -0.15 2.04 -2.24 -0.51 -4.81 114.28 104.74 2wtm n THR 140 Ca -0.02 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2wtm n THR 140 Cb 0.23 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 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 1.50 1.53 3.06 3.38 0.00 -0.87 -4.75 105.19 109.04 2wtm n GLY 141 Ca 0.05 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2wtm n GLY 141 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wtm s GLU 142 N -0.86 0.53 -0.16 1.61 2.12 -0.85 -0.32 118.70 120.77 2wtm s GLU 142 Ca 0.00 -0.92 -0.04 0.00 0.36 0.00 0.00 54.97 54.37 2wtm s GLU 142 Cb 0.00 -0.04 0.07 0.00 0.26 0.00 0.00 34.13 34.42 2wtm s GLU 142 CO 0.00 -0.03 0.17 -1.17 -0.54 0.00 0.00 175.26 173.69 2wtm s LEU 143 N -2.10 0.03 -1.48 2.70 2.96 -0.08 -2.88 118.68 117.82 2wtm s LEU 143 Ca -0.04 -0.20 -0.07 0.00 -0.22 0.00 0.00 54.13 53.60 2wtm s LEU 143 Cb -0.03 0.18 0.05 0.00 0.50 0.00 0.00 46.19 46.89 2wtm s LEU 143 CO -0.03 -0.31 0.66 0.18 -1.32 0.00 0.00 176.35 175.52 2wtm n LEU 144 N 5.31 -2.32 0.00 -0.68 4.77 -1.26 -1.59 117.00 121.23 2wtm n LEU 144 Ca -0.06 -0.93 0.00 0.00 -0.03 0.00 0.00 56.01 54.99 2wtm n LEU 144 Cb 0.49 -2.33 0.00 0.00 -2.33 0.00 0.00 43.42 39.25 2wtm n LEU 144 CO 0.08 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2wtm n GLY 145 N -1.73 3.25 3.73 -0.72 0.00 -1.26 -5.04 105.19 103.42 2wtm n GLY 145 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 4.44 -0.04 0.99 1.43 -0.62 -5.06 118.68 119.83 2wtm s LEU 146 Ca 0.00 1.61 0.02 0.00 -1.03 0.00 0.00 54.13 54.73 2wtm s LEU 146 Cb 0.00 -3.43 -0.03 0.00 0.03 0.00 0.00 46.19 42.75 2wtm s LEU 146 CO 0.00 -0.09 -0.06 -0.54 0.23 0.00 0.00 176.35 175.89 2wtm s LYS 147 N 0.27 2.69 0.33 1.70 1.02 -1.26 -0.90 119.74 123.58 2wtm s LYS 147 Ca 0.45 -0.61 -0.17 0.00 0.02 0.00 0.00 55.97 55.66 2wtm s LYS 147 Cb -0.21 -2.58 0.03 0.00 -0.52 0.00 0.00 37.83 34.55 2wtm s LYS 147 CO 0.26 0.64 0.72 -0.59 -0.92 0.00 0.00 175.35 175.46 2wtm s PHE 148 N -0.91 0.08 -0.30 3.18 -0.12 0.56 -5.00 117.98 115.47 2wtm s PHE 148 Ca 0.15 -0.62 -0.27 0.00 -0.05 0.00 0.00 56.93 56.14 2wtm s PHE 148 Cb -0.11 0.68 0.01 0.00 -0.63 0.00 0.00 43.02 42.96 2wtm s PHE 148 CO 0.05 -1.37 0.97 0.34 -0.05 0.00 0.00 175.22 175.15 2wtm s ASP 149 N -3.02 6.85 0.02 1.98 -1.08 -1.26 -4.45 116.67 115.71 2wtm s ASP 149 Ca 0.15 0.95 0.16 0.00 -0.52 0.00 0.00 52.55 53.29 2wtm s ASP 149 Cb -0.05 -2.49 0.69 0.00 -1.46 0.00 0.00 42.92 39.61 2wtm s ASP 149 CO 0.10 -0.76 1.52 -0.81 0.52 0.00 0.00 175.17 175.74 2wtm n PRO 150 N 6.56 0.01 -0.08 4.34 -0.04 -1.26 -1.94 135.00 142.60 2wtm n PRO 150 Ca 0.09 0.24 0.09 0.00 -0.04 0.00 0.00 63.50 63.89 2wtm n PRO 150 Cb 0.47 -1.52 0.12 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.55 1.92 -3.05 0.54 -0.58 -1.26 -4.58 120.64 112.08 2wtm n GLU 151 Ca 0.04 -1.83 -0.19 0.00 -0.42 0.00 0.00 57.16 54.76 2wtm n GLU 151 Cb 0.19 -1.39 -0.03 0.00 -0.57 0.00 0.00 31.44 29.64 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 1.11 -0.93 -4.75 1.62 3.02 -0.82 -5.12 115.26 109.39 2wtm n ASN 152 Ca 0.13 -2.87 -0.41 0.00 -0.03 0.00 0.00 54.58 51.40 2wtm n ASN 152 Cb 0.49 0.21 -0.02 0.00 -0.61 0.00 0.00 39.78 39.85 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 -0.47 2.66 0.72 2.41 1.01 -1.12 -4.36 121.20 122.05 2wtm s ILE 153 Ca 0.34 0.58 -0.15 0.00 0.00 0.00 0.00 60.65 61.41 2wtm s ILE 153 Cb 0.18 -3.37 0.03 0.00 0.01 0.00 0.00 42.46 39.31 2wtm s ILE 153 CO -0.16 0.10 1.20 -2.84 0.00 0.00 0.00 174.94 173.25 2wtm s PRO 154 N -0.76 2.22 0.26 2.79 0.02 -1.26 -4.92 135.00 133.35 2wtm s PRO 154 Ca 0.57 1.74 -0.01 0.00 0.02 0.00 0.00 61.00 63.32 2wtm s PRO 154 Cb -0.41 -1.84 0.35 0.00 0.02 0.00 0.00 34.50 32.61 2wtm s PRO 154 CO 0.46 -1.77 1.73 -0.44 -0.33 0.00 0.00 177.00 176.65 2wtm h ASP 155 N -0.22 0.67 -3.86 2.53 3.32 -1.94 -3.20 116.42 113.71 2wtm h ASP 155 Ca -0.48 -0.19 -0.17 0.00 0.02 0.00 0.00 57.03 56.22 2wtm h ASP 155 Cb 1.29 -0.18 -0.25 0.00 0.22 0.00 0.00 39.33 40.41 2wtm h ASP 155 CO 0.50 0.81 -0.44 -0.70 -1.72 0.00 0.00 179.24 177.70 2wtm s GLU 156 N -4.78 0.29 -0.10 3.56 2.12 -1.26 -1.28 118.70 117.24 2wtm s GLU 156 Ca -0.09 0.31 0.01 0.00 0.36 0.00 0.00 54.97 55.57 2wtm s GLU 156 Cb 0.14 0.14 -0.02 0.00 0.26 0.00 0.00 34.13 34.66 2wtm s GLU 156 CO 0.81 -0.04 -0.15 -0.51 -0.54 0.00 0.00 175.26 174.83 2wtm s LEU 157 N 0.08 2.63 -0.23 2.70 1.02 0.64 -4.91 118.68 120.60 2wtm s LEU 157 Ca -0.00 -0.33 0.02 0.00 0.02 0.00 0.00 54.13 53.84 2wtm s LEU 157 Cb -0.02 -1.57 0.05 0.00 0.02 0.00 0.00 46.19 44.67 2wtm s LEU 157 CO 0.00 0.21 -0.10 -1.81 0.02 0.00 0.00 176.35 174.67 2wtm s ASP 158 N 0.07 3.88 0.00 2.29 1.11 -1.26 -0.14 116.67 122.62 2wtm s ASP 158 Ca -0.06 -1.13 0.00 0.00 0.18 0.00 0.00 52.55 51.54 2wtm s ASP 158 Cb -0.15 -1.37 0.00 0.00 1.07 0.00 0.00 42.92 42.47 2wtm s ASP 158 CO 0.05 -0.17 0.00 0.00 1.18 0.00 0.00 175.17 176.23 2wtm n ALA 159 N 4.57 0.00 -3.14 5.23 0.00 -0.78 -5.00 120.51 121.39 2wtm n ALA 159 Ca -0.14 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.19 2wtm n ALA 159 Cb 0.45 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.95 2wtm n ALA 159 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2wtm n TRP 160 N 0.00 -2.52 -3.76 0.00 8.01 -1.26 -1.42 117.44 116.49 2wtm n TRP 160 Ca 0.00 0.90 -0.23 0.00 -1.31 0.00 0.00 57.50 56.86 2wtm n TRP 160 Cb 0.00 -4.06 0.03 0.00 -2.01 0.00 0.00 31.31 25.27 2wtm n TRP 160 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 2wtm n ASP 161 N -2.79 -1.96 0.00 -0.99 9.92 -1.26 -3.09 116.55 116.38 2wtm n ASP 161 Ca -0.05 -0.82 0.00 0.00 -0.53 0.00 0.00 54.79 53.39 2wtm n ASP 161 Cb 0.59 -3.99 0.00 0.00 -0.64 0.00 0.00 41.12 37.07 2wtm n ASP 161 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2wtm n GLY 162 N -1.62 0.57 3.97 0.44 0.00 -1.23 -5.06 105.19 102.25 2wtm n GLY 162 Ca -0.22 -0.83 -0.19 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.49 3.10 0.08 1.61 0.52 -0.51 -4.97 118.95 116.29 2wtm s ARG 163 Ca 0.00 -1.02 0.07 0.00 -0.52 0.00 0.00 55.73 54.26 2wtm s ARG 163 Cb 0.00 -2.78 -0.03 0.00 0.52 0.00 0.00 34.95 32.66 2wtm s ARG 163 CO 0.00 0.12 -0.18 0.15 0.02 0.00 0.00 175.30 175.40 2wtm s LYS 164 N -4.12 1.06 -0.03 3.54 1.02 -1.26 -1.87 119.74 118.09 2wtm s LYS 164 Ca 0.43 -1.02 -0.01 0.00 0.02 0.00 0.00 55.97 55.40 2wtm s LYS 164 Cb -0.09 -1.21 0.03 0.00 -0.52 0.00 0.00 37.83 36.05 2wtm s LYS 164 CO 0.30 0.29 0.04 -1.17 -0.92 0.00 0.00 175.35 173.89 2wtm s LEU 165 N -1.64 0.75 0.47 3.17 2.96 0.81 -3.40 118.68 121.80 2wtm s LEU 165 Ca 0.04 0.05 -0.22 0.00 -0.22 0.00 0.00 54.13 53.78 2wtm s LEU 165 Cb -0.09 -0.09 -0.07 0.00 0.50 0.00 0.00 46.19 46.43 2wtm s LEU 165 CO 0.03 -0.17 1.13 -0.54 -1.32 0.00 0.00 176.35 175.48 2wtm s LYS 166 N 1.46 3.73 0.00 1.98 1.02 -0.59 -0.26 119.74 127.07 2wtm s LYS 166 Ca -0.04 1.68 0.11 0.00 0.02 0.00 0.00 55.97 57.74 2wtm s LYS 166 Cb -0.13 -2.32 0.49 0.00 -0.52 0.00 0.00 37.83 35.35 2wtm s LYS 166 CO -0.03 -0.56 1.34 0.41 -0.92 0.00 0.00 175.35 175.59 2wtm n GLY 167 N 0.33 -0.84 0.35 -3.33 0.00 -0.41 -1.63 105.19 99.66 2wtm n GLY 167 Ca 0.08 -0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.15 2wtm n GLY 167 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2wtm h ASN 168 N 0.00 0.53 -0.49 1.61 2.35 -1.85 0.58 115.58 118.32 2wtm h ASN 168 Ca 0.00 0.01 0.10 0.00 -0.55 0.00 0.00 56.30 55.86 2wtm h ASN 168 Cb 0.17 -0.10 -0.09 0.00 0.05 0.00 0.00 38.32 38.35 2wtm h ASN 168 CO 0.00 0.33 -0.11 0.22 -1.65 0.00 0.00 177.43 176.22 2wtm h TYR 169 N 0.60 -0.23 -0.35 1.19 3.20 -1.54 -0.87 116.97 118.97 2wtm h TYR 169 Ca 0.31 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 62.16 2wtm h TYR 169 Cb 0.43 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 2wtm h TYR 169 CO -0.00 -0.20 -0.03 0.28 -1.64 0.00 0.00 178.16 176.57 2wtm h VAL 170 N 0.01 1.27 -0.82 1.81 2.07 -1.14 -0.98 116.25 118.47 2wtm h VAL 170 Ca 0.24 -1.04 0.14 0.00 0.82 0.00 0.00 66.70 66.85 2wtm h VAL 170 Cb 0.36 1.24 -0.09 0.00 -1.52 0.00 0.00 31.29 31.28 2wtm h VAL 170 CO -0.49 0.34 0.41 0.03 0.02 0.00 0.00 177.57 177.89 2wtm h ARG 171 N 0.44 0.59 -0.03 1.57 3.08 -0.83 -0.62 114.38 118.58 2wtm h ARG 171 Ca 0.10 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 2wtm h ARG 171 Cb 0.51 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2wtm h ARG 171 CO 0.02 0.39 -0.07 0.28 -1.07 0.00 0.00 179.97 179.53 2wtm h VAL 172 N 0.61 1.44 -0.82 2.04 2.07 -1.10 -3.32 116.25 117.17 2wtm h VAL 172 Ca 0.44 -1.40 0.06 0.00 0.82 0.00 0.00 66.70 66.62 2wtm h VAL 172 Cb 0.61 2.29 -0.06 0.00 -1.52 0.00 0.00 31.29 32.61 2wtm h VAL 172 CO -0.35 0.38 0.50 0.00 0.02 0.00 0.00 177.57 178.12 2wtm h ALA 173 N 0.45 1.12 -0.14 1.67 0.00 -0.66 -1.27 119.26 120.42 2wtm h ALA 173 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2wtm h ALA 173 Cb 0.65 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2wtm h ALA 173 CO 0.01 0.24 0.20 1.96 0.00 0.00 0.00 179.25 181.66 2wtm h GLN 174 N 0.92 0.00 0.00 0.00 4.20 -1.22 -2.38 115.11 116.63 2wtm h GLN 174 Ca 0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.07 2wtm h GLN 174 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 2wtm h GLN 174 CO -0.17 0.00 0.00 1.79 -0.67 0.00 0.00 178.83 179.78 2wtm h THR 175 N 0.00 0.00 -3.38 -0.54 1.35 -1.35 -3.46 112.91 105.53 2wtm h THR 175 Ca 0.07 -0.65 -0.60 0.00 -0.55 0.00 0.00 66.41 64.69 2wtm h THR 175 Cb 0.46 1.62 -0.09 0.00 -1.73 0.00 0.00 68.15 68.41 2wtm h THR 175 CO -0.00 0.00 0.27 -0.63 -0.25 0.00 0.00 175.52 174.91 2wtm s ILE 176 N -3.22 4.94 -0.93 6.82 1.01 -0.89 -4.99 121.20 123.93 2wtm s ILE 176 Ca 0.08 1.35 -0.14 0.00 0.00 0.00 0.00 60.65 61.93 2wtm s ILE 176 Cb 0.09 -4.02 0.21 0.00 0.01 0.00 0.00 42.46 38.76 2wtm s ILE 176 CO 0.60 0.03 0.94 -0.13 0.00 0.00 0.00 174.94 176.37 2wtm s ARG 177 N 2.36 3.76 0.28 2.79 1.81 -1.26 -4.71 118.95 123.99 2wtm s ARG 177 Ca 0.31 -2.52 0.03 0.00 -1.72 0.00 0.00 55.73 51.83 2wtm s ARG 177 Cb -0.16 -4.57 0.66 0.00 -0.45 0.00 0.00 34.95 30.42 2wtm s ARG 177 CO 0.09 -1.39 1.75 0.28 -0.68 0.00 0.00 175.30 175.36 2wtm h VAL 178 N 4.70 0.66 -0.31 3.52 2.07 -1.94 -1.70 116.25 123.25 2wtm h VAL 178 Ca 0.14 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.52 2wtm h VAL 178 Cb 0.99 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2wtm h VAL 178 CO 0.89 0.11 0.22 -0.33 0.02 0.00 0.00 177.57 178.49 2wtm h GLU 179 N 0.63 0.13 -0.43 1.57 3.07 -1.95 -0.64 114.58 116.95 2wtm h GLU 179 Ca 0.53 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.36 2wtm h GLU 179 Cb 0.84 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.70 2wtm h GLU 179 CO -0.41 0.09 0.20 -0.44 -1.40 0.00 0.00 179.01 177.05 2wtm h ASP 180 N 0.13 0.57 -0.07 1.42 3.32 -1.73 -1.26 116.42 118.79 2wtm h ASP 180 Ca 0.14 -0.14 -0.14 0.00 0.02 0.00 0.00 57.03 56.92 2wtm h ASP 180 Cb 0.40 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 2wtm h ASP 180 CO -0.02 0.55 -0.41 -0.26 -1.72 0.00 0.00 179.24 177.38 2wtm h PHE 181 N 0.56 0.72 -0.22 4.55 0.04 -1.23 -2.38 116.94 118.97 2wtm h PHE 181 Ca 0.15 -0.21 -0.00 0.00 2.80 0.00 0.00 57.97 60.71 2wtm h PHE 181 Cb 0.14 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 2wtm h PHE 181 CO -0.01 0.91 0.14 0.28 -0.60 0.00 0.00 178.31 179.03 2wtm h VAL 182 N 0.49 1.08 -0.13 -0.55 2.07 -1.14 -2.87 116.25 115.20 2wtm h VAL 182 Ca 0.04 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 2wtm h VAL 182 Cb 0.92 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 2wtm h VAL 182 CO 0.08 0.08 0.07 0.44 0.02 0.00 0.00 177.57 178.27 2wtm h ASP 183 N 0.28 0.15 1.73 0.57 3.32 -1.08 -2.82 116.42 118.57 2wtm h ASP 183 Ca 0.08 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 2wtm h ASP 183 Cb 0.01 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2wtm h ASP 183 CO -0.02 0.12 -0.24 0.11 -1.72 0.00 0.00 179.24 177.50 2wtm h LYS 184 N 0.18 0.00 -4.21 3.56 1.79 -1.22 -3.42 116.57 113.25 2wtm h LYS 184 Ca 0.05 0.00 -0.74 0.00 -2.18 0.00 0.00 60.65 57.78 2wtm h LYS 184 Cb 0.00 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 30.39 2wtm h LYS 184 CO -0.01 0.24 -0.31 -0.47 -1.08 0.00 0.00 179.45 177.82 2wtm s TYR 185 N -3.11 3.33 -2.51 -1.35 5.04 -1.06 -4.88 117.35 112.81 2wtm s TYR 185 Ca 0.05 -1.53 0.23 0.00 -2.44 0.00 0.00 57.07 53.38 2wtm s TYR 185 Cb 0.06 -3.59 0.39 0.00 0.35 0.00 0.00 41.96 39.17 2wtm s TYR 185 CO 0.70 -0.99 1.37 0.25 -1.34 0.00 0.00 175.55 175.55 2wtm n THR 186 N 5.08 0.44 -2.01 4.34 -2.24 -1.26 -4.55 114.28 114.08 2wtm n THR 186 Ca -0.11 -0.72 -0.28 0.00 -2.27 0.00 0.00 64.05 60.67 2wtm n THR 186 Cb 0.41 1.05 0.12 0.00 -2.10 0.00 0.00 70.33 69.81 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 -1.54 1.51 0.30 -0.78 1.02 -1.26 -4.37 119.74 114.62 2wtm s LYS 187 Ca 0.37 -0.21 -0.29 0.00 0.02 0.00 0.00 55.97 55.85 2wtm s LYS 187 Cb 0.22 -1.97 -0.11 0.00 -0.52 0.00 0.00 37.83 35.45 2wtm s LYS 187 CO 0.31 -1.82 1.48 -2.14 -0.92 0.00 0.00 175.35 172.27 2wtm s PRO 188 N -5.61 4.20 -0.03 -1.68 0.02 -1.26 -4.50 135.00 126.14 2wtm s PRO 188 Ca 0.66 2.43 0.04 0.00 0.02 0.00 0.00 61.00 64.16 2wtm s PRO 188 Cb -0.08 -3.05 -0.01 0.00 0.02 0.00 0.00 34.50 31.38 2wtm s PRO 188 CO 0.49 -0.48 -0.17 0.08 -0.33 0.00 0.00 177.00 176.60 2wtm s VAL 189 N -0.35 1.37 -0.25 3.83 1.01 -0.03 -1.41 120.40 124.57 2wtm s VAL 189 Ca 0.58 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.88 2wtm s VAL 189 Cb -0.44 -1.17 0.05 0.00 0.00 0.00 0.00 36.38 34.82 2wtm s VAL 189 CO 0.50 0.39 -0.11 -0.22 0.00 0.00 0.00 175.10 175.66 2wtm s LEU 190 N -0.08 3.29 -0.16 3.92 2.96 0.04 -0.94 118.68 127.71 2wtm s LEU 190 Ca -0.01 -1.25 -0.12 0.00 -0.22 0.00 0.00 54.13 52.53 2wtm s LEU 190 Cb -0.10 -1.56 -0.05 0.00 0.50 0.00 0.00 46.19 44.98 2wtm s LEU 190 CO 0.01 -0.17 0.24 -0.63 -1.32 0.00 0.00 176.35 174.49 2wtm s ILE 191 N 1.15 5.34 -0.05 6.68 1.01 -0.30 -2.59 121.20 132.45 2wtm s ILE 191 Ca -0.06 0.43 0.04 0.00 0.00 0.00 0.00 60.65 61.06 2wtm s ILE 191 Cb -0.19 -3.57 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 2wtm s ILE 191 CO -0.06 0.42 -0.15 -0.69 0.00 0.00 0.00 174.94 174.46 2wtm s VAL 192 N 0.30 2.96 -0.28 2.92 1.01 -1.07 -0.33 120.40 125.92 2wtm s VAL 192 Ca 0.14 -0.77 -0.20 0.00 0.00 0.00 0.00 61.98 61.16 2wtm s VAL 192 Cb -0.12 -2.15 0.08 0.00 0.00 0.00 0.00 36.38 34.19 2wtm s VAL 192 CO 0.02 0.59 0.74 -2.28 0.00 0.00 0.00 175.10 174.17 2wtm s HIS 193 N -0.72 -0.89 0.10 5.22 5.04 -0.81 0.55 115.29 123.77 2wtm s HIS 193 Ca 0.11 1.93 -0.30 0.00 -1.54 0.00 0.00 55.06 55.26 2wtm s HIS 193 Cb -0.11 0.47 -0.06 0.00 0.04 0.00 0.00 32.58 32.92 2wtm s HIS 193 CO 0.00 -0.44 1.04 0.20 -2.34 0.00 0.00 174.74 173.20 2wtm s GLY 194 N 1.07 2.86 0.00 1.59 0.00 -1.26 -0.77 107.32 110.80 2wtm s GLY 194 Ca -0.05 0.67 0.30 0.00 0.00 0.00 0.00 44.72 45.64 2wtm s GLY 194 CO -0.11 1.64 2.09 2.09 0.00 0.00 0.00 173.10 178.82 2wtm n ASP 195 N 3.07 0.00 -1.59 1.64 5.68 -0.88 -2.21 116.55 122.27 2wtm n ASP 195 Ca 0.04 -0.69 -0.15 0.00 -0.50 0.00 0.00 54.79 53.49 2wtm n ASP 195 Cb 0.48 -0.09 0.13 0.00 -1.14 0.00 0.00 41.12 40.50 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 -1.09 2.50 -2.14 0.11 1.13 -0.55 -4.86 117.38 112.49 2wtm n GLN 196 Ca 0.20 -3.52 -0.43 0.00 -1.94 0.00 0.00 57.00 51.31 2wtm n GLN 196 Cb 0.14 -2.02 -0.03 0.00 0.11 0.00 0.00 30.24 28.44 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 -2.80 6.61 0.00 1.08 -1.08 -0.94 -4.42 116.67 115.12 2wtm s ASP 197 Ca 0.49 1.86 0.28 0.00 -0.52 0.00 0.00 52.55 54.67 2wtm s ASP 197 Cb 0.42 -2.53 1.14 0.00 -1.46 0.00 0.00 42.92 40.49 2wtm s ASP 197 CO 0.00 -1.03 1.83 -1.84 0.52 0.00 0.00 175.17 174.66 2wtm n GLU 198 N 7.24 0.31 -0.06 4.34 0.00 -1.26 -4.33 120.64 126.89 2wtm n GLU 198 Ca 0.17 -0.09 -0.10 0.00 0.00 0.00 0.00 57.16 57.15 2wtm n GLU 198 Cb 0.44 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.34 2wtm n GLU 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2wtm n ALA 199 N -1.27 1.95 -3.46 -1.84 0.00 -1.26 -5.01 120.51 109.62 2wtm n ALA 199 Ca 0.10 -0.47 -0.18 0.00 0.00 0.00 0.00 53.44 52.89 2wtm n ALA 199 Cb 0.30 0.28 -0.16 0.00 0.00 0.00 0.00 19.45 19.88 2wtm n ALA 199 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2wtm s VAL 200 N -2.22 0.41 0.03 0.00 -7.23 -1.26 -4.98 120.40 105.15 2wtm s VAL 200 Ca -0.16 -0.09 -0.30 0.00 -1.81 0.00 0.00 61.98 59.62 2wtm s VAL 200 Cb 0.05 -0.43 -0.07 0.00 0.56 0.00 0.00 36.38 36.49 2wtm s VAL 200 CO 0.24 0.18 1.57 -2.16 -0.31 0.00 0.00 175.10 174.62 2wtm s PRO 201 N 0.69 4.22 0.30 4.82 0.04 -1.26 -4.72 135.00 139.09 2wtm s PRO 201 Ca -0.08 2.20 0.05 0.00 0.04 0.00 0.00 61.00 63.21 2wtm s PRO 201 Cb -0.11 -3.63 0.79 0.00 0.04 0.00 0.00 34.50 31.59 2wtm s PRO 201 CO -0.00 -0.69 1.68 -0.92 0.04 0.00 0.00 177.00 177.10 2wtm h TYR 202 N 8.29 0.61 0.00 0.56 3.20 -1.83 -2.58 116.97 125.21 2wtm h TYR 202 Ca -0.41 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.47 2wtm h TYR 202 Cb 1.19 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 2wtm h TYR 202 CO 0.78 -0.12 -0.18 1.49 -1.64 0.00 0.00 178.16 178.49 2wtm h GLU 203 N 0.33 0.00 -0.36 1.82 4.57 -1.97 -1.15 114.58 117.83 2wtm h GLU 203 Ca 0.59 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.70 2wtm h GLU 203 Cb 1.19 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.76 2wtm h GLU 203 CO -0.58 0.18 -0.08 0.00 -1.18 0.00 0.00 179.01 177.35 2wtm h ALA 204 N 1.82 1.18 -0.27 2.92 0.00 -1.86 -0.95 119.26 122.10 2wtm h ALA 204 Ca -0.00 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 2wtm h ALA 204 Cb 0.50 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2wtm h ALA 204 CO 0.02 0.53 -0.41 0.77 0.00 0.00 0.00 179.25 180.16 2wtm h SER 205 N 0.57 0.69 -0.40 0.00 0.02 -1.34 0.11 113.55 113.19 2wtm h SER 205 Ca 0.11 -0.32 0.07 0.00 -0.84 0.00 0.00 61.79 60.81 2wtm h SER 205 Cb 0.49 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.77 2wtm h SER 205 CO 0.03 1.02 0.00 0.58 -1.14 0.00 0.00 176.83 177.32 2wtm h VAL 206 N 0.53 0.70 0.06 2.27 2.07 -1.17 -0.83 116.25 119.89 2wtm h VAL 206 Ca 0.04 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2wtm h VAL 206 Cb 0.94 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2wtm h VAL 206 CO 0.08 0.02 -0.03 0.00 0.02 0.00 0.00 177.57 177.66 2wtm h ALA 207 N 1.35 -0.09 -0.64 1.67 0.00 -0.71 -2.86 119.26 117.98 2wtm h ALA 207 Ca 0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2wtm h ALA 207 Cb 0.28 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2wtm h ALA 207 CO -0.33 -0.45 0.37 0.74 0.00 0.00 0.00 179.25 179.58 2wtm h PHE 208 N -0.28 0.84 -0.12 0.00 0.04 -0.79 -1.87 116.94 114.76 2wtm h PHE 208 Ca -0.01 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.77 2wtm h PHE 208 Cb 0.24 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 2wtm h PHE 208 CO -0.01 0.57 0.08 0.66 -0.60 0.00 0.00 178.31 179.01 2wtm h SER 209 N 0.88 0.10 1.24 2.17 4.64 -0.98 -1.02 113.55 120.58 2wtm h SER 209 Ca 0.23 -0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.40 2wtm h SER 209 Cb -0.02 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 2wtm h SER 209 CO -0.04 0.07 -0.77 0.11 -0.87 0.00 0.00 176.83 175.33 2wtm h LYS 210 N 0.11 0.00 -0.26 4.77 1.57 -1.14 -3.34 116.57 118.28 2wtm h LYS 210 Ca 0.05 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.64 2wtm h LYS 210 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2wtm h LYS 210 CO -0.01 0.64 -0.58 0.37 -0.57 0.00 0.00 179.45 179.31 2wtm h GLN 211 N 0.00 0.82 -7.06 3.15 4.15 -0.59 -3.45 115.11 112.13 2wtm h GLN 211 Ca -0.03 -0.54 -0.55 0.00 0.77 0.00 0.00 58.65 58.30 2wtm h GLN 211 Cb 1.54 0.07 0.14 0.00 0.21 0.00 0.00 27.48 29.45 2wtm h GLN 211 CO 0.08 1.16 0.60 0.71 -1.93 0.00 0.00 178.83 179.46 2wtm s TYR 212 N -4.06 2.22 0.17 3.99 4.12 -0.87 -4.84 117.35 118.09 2wtm s TYR 212 Ca -0.10 1.38 -0.14 0.00 0.02 0.00 0.00 57.07 58.23 2wtm s TYR 212 Cb 0.10 -3.81 0.06 0.00 -1.52 0.00 0.00 41.96 36.79 2wtm s TYR 212 CO 0.89 -2.98 1.79 -0.22 0.02 0.00 0.00 175.55 175.05 2wtm h LYS 213 N 1.31 0.74 -2.16 -0.62 1.63 -1.85 -3.39 116.57 112.23 2wtm h LYS 213 Ca -0.51 -0.08 -0.55 0.00 -0.85 0.00 0.00 60.65 58.66 2wtm h LYS 213 Cb 1.31 -0.15 -0.37 0.00 -0.60 0.00 0.00 32.23 32.42 2wtm h LYS 213 CO 0.57 0.56 -0.97 -1.71 -3.45 0.00 0.00 179.45 174.44 2wtm n ASN 214 N -4.64 -0.55 -4.12 4.20 5.15 -1.26 -5.09 115.26 108.94 2wtm n ASN 214 Ca 0.03 -2.49 -0.27 0.00 -0.60 0.00 0.00 54.58 51.25 2wtm n ASN 214 Cb 0.07 -0.40 -0.16 0.00 -0.53 0.00 0.00 39.78 38.75 2wtm n ASN 214 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wtm s LYS 216 N 0.31 3.87 -0.26 0.00 2.20 -0.12 -4.91 119.74 120.84 2wtm s LYS 216 Ca -0.11 -0.28 -0.10 0.00 -0.36 0.00 0.00 55.97 55.12 2wtm s LYS 216 Cb -0.14 -3.24 -0.05 0.00 -1.51 0.00 0.00 37.83 32.89 2wtm s LYS 216 CO 0.04 0.40 0.16 -1.17 -0.36 0.00 0.00 175.35 174.42 2wtm s LEU 217 N 0.03 3.99 -0.30 5.43 2.96 -1.26 -1.15 118.68 128.36 2wtm s LEU 217 Ca 0.07 0.02 -0.09 0.00 -0.22 0.00 0.00 54.13 53.91 2wtm s LEU 217 Cb -0.12 -2.09 -0.00 0.00 0.50 0.00 0.00 46.19 44.48 2wtm s LEU 217 CO 0.00 0.00 0.13 -0.69 -1.32 0.00 0.00 176.35 174.47 2wtm s VAL 218 N 1.42 4.39 -0.09 1.68 1.01 0.55 -4.99 120.40 124.38 2wtm s VAL 218 Ca 0.07 -0.50 -0.17 0.00 0.00 0.00 0.00 61.98 61.39 2wtm s VAL 218 Cb -0.15 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 2wtm s VAL 218 CO 0.07 0.08 0.43 -0.89 0.00 0.00 0.00 175.10 174.80 2wtm s THR 219 N 1.58 5.15 -0.44 3.92 2.01 -1.26 -1.92 115.64 124.68 2wtm s THR 219 Ca 0.04 0.87 -0.16 0.00 0.31 0.00 0.00 61.69 62.76 2wtm s THR 219 Cb -0.17 -3.77 0.04 0.00 0.01 0.00 0.00 72.50 68.62 2wtm s THR 219 CO 0.05 0.41 0.38 -0.63 -0.69 0.00 0.00 174.62 174.13 2wtm s ILE 220 N 0.13 5.20 0.15 1.82 -1.09 0.05 -4.93 121.20 122.52 2wtm s ILE 220 Ca 0.24 -0.76 -0.31 0.00 -2.23 0.00 0.00 60.65 57.59 2wtm s ILE 220 Cb -0.15 -4.04 -0.09 0.00 -1.58 0.00 0.00 42.46 36.59 2wtm s ILE 220 CO 0.10 -0.46 1.52 -2.84 -1.23 0.00 0.00 174.94 172.03 2wtm s PRO 221 N 1.79 4.25 0.00 2.79 0.02 -1.26 -2.06 135.00 140.52 2wtm s PRO 221 Ca 0.06 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.36 2wtm s PRO 221 Cb -0.21 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.12 2wtm s PRO 221 CO 0.09 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.61 2wtm n GLY 222 N 3.68 0.96 3.96 0.52 0.00 -1.26 -4.89 105.19 108.16 2wtm n GLY 222 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.96 6.16 0.71 1.61 -1.08 -1.05 -4.54 116.67 115.53 2wtm s ASP 223 Ca 0.00 0.24 0.02 0.00 -0.52 0.00 0.00 52.55 52.29 2wtm s ASP 223 Cb 0.00 -1.78 0.13 0.00 -1.46 0.00 0.00 42.92 39.82 2wtm s ASP 223 CO 0.00 -0.34 0.98 0.42 0.52 0.00 0.00 175.17 176.75 2wtm s THR 224 N -2.27 2.02 0.25 1.71 -4.23 -1.26 -1.48 115.64 110.38 2wtm s THR 224 Ca 0.41 -0.71 -0.04 0.00 -1.18 0.00 0.00 61.69 60.17 2wtm s THR 224 Cb -0.10 -2.31 0.22 0.00 1.34 0.00 0.00 72.50 71.66 2wtm s THR 224 CO 0.34 0.00 1.84 -0.74 -0.54 0.00 0.00 174.62 175.52 2wtm h HIS 225 N -0.44 0.98 -0.38 3.99 -0.00 -1.90 -2.47 115.15 114.93 2wtm h HIS 225 Ca -0.33 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.07 2wtm h HIS 225 Cb 1.27 -0.31 0.00 0.00 -0.00 0.00 0.00 27.41 28.36 2wtm h HIS 225 CO -0.12 0.47 0.00 0.00 -0.00 0.00 0.00 177.93 178.28 2wtm n TYR 227 N -0.08 -2.17 -0.02 0.00 4.01 -0.93 -4.81 117.16 113.16 2wtm n TYR 227 Ca 0.23 0.84 -0.03 0.00 -0.16 0.00 0.00 57.90 58.78 2wtm n TYR 227 Cb 0.99 -4.46 0.21 0.00 -0.31 0.00 0.00 39.34 35.76 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 -1.40 0.57 0.22 7.72 3.32 -1.94 -3.12 116.42 121.78 2wtm h ASP 228 Ca -0.56 -0.16 -0.34 0.00 0.02 0.00 0.00 57.03 55.99 2wtm h ASP 228 Cb 1.30 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.66 2wtm h ASP 228 CO 0.44 0.73 -1.99 1.41 -1.72 0.00 0.00 179.24 178.11 2wtm n HIS 229 N -4.18 0.92 -2.68 4.55 8.25 -1.26 -4.73 115.22 116.08 2wtm n HIS 229 Ca 0.01 0.24 -0.09 0.00 -0.26 0.00 0.00 57.72 57.62 2wtm n HIS 229 Cb 0.34 -1.14 0.03 0.00 1.12 0.00 0.00 29.99 30.35 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 -3.24 0.93 -0.15 4.41 8.25 -1.24 -4.89 115.22 119.29 2wtm n HIS 230 Ca -0.29 -2.79 0.12 0.00 -0.26 0.00 0.00 57.72 54.51 2wtm n HIS 230 Cb 1.05 -0.28 0.47 0.00 1.12 0.00 0.00 29.99 32.35 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 2.95 0.45 -2.09 2.41 5.85 -1.83 0.36 115.31 123.41 2wtm h LEU 231 Ca -0.10 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.64 2wtm h LEU 231 Cb 1.18 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 2wtm h LEU 231 CO 0.47 0.25 0.02 1.05 -0.34 0.00 0.00 178.44 179.89 2wtm h GLU 232 N 0.49 0.00 -0.07 1.25 9.09 -1.90 -1.40 114.58 122.04 2wtm h GLU 232 Ca 0.34 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.59 2wtm h GLU 232 Cb 0.64 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.73 2wtm h GLU 232 CO -0.11 0.00 -0.65 -0.07 0.05 0.00 0.00 179.01 178.23 2wtm h LEU 233 N 0.00 0.32 0.06 3.06 3.38 -1.33 -1.11 115.31 119.70 2wtm h LEU 233 Ca 0.01 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 2wtm h LEU 233 Cb 0.04 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2wtm h LEU 233 CO -0.00 0.89 -0.03 0.58 0.09 0.00 0.00 178.44 179.97 2wtm h VAL 234 N 0.20 1.13 -0.21 1.22 2.07 -1.22 -2.19 116.25 117.24 2wtm h VAL 234 Ca -0.01 -0.64 -0.09 0.00 0.82 0.00 0.00 66.70 66.78 2wtm h VAL 234 Cb 1.19 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 2wtm h VAL 234 CO 0.10 0.16 -0.26 0.71 0.02 0.00 0.00 177.57 178.31 2wtm h THR 235 N -0.36 1.26 -0.19 2.57 1.35 -1.29 -1.38 112.91 114.87 2wtm h THR 235 Ca -0.01 -1.23 -0.05 0.00 -0.55 0.00 0.00 66.41 64.57 2wtm h THR 235 Cb 0.32 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 68.11 2wtm h THR 235 CO 0.01 0.39 -0.09 -0.33 -0.25 0.00 0.00 175.52 175.25 2wtm h GLU 236 N 0.36 0.30 -0.17 4.72 4.39 -1.20 -0.87 114.58 122.10 2wtm h GLU 236 Ca 0.05 -0.06 -0.20 0.00 0.34 0.00 0.00 59.36 59.48 2wtm h GLU 236 Cb 0.64 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.26 2wtm h GLU 236 CO 0.05 0.40 -0.69 0.00 -1.16 0.00 0.00 179.01 177.61 2wtm h ALA 237 N 1.63 0.32 -0.50 3.43 0.00 -0.65 -1.53 119.26 121.95 2wtm h ALA 237 Ca 0.06 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 2wtm h ALA 237 Cb 0.35 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2wtm h ALA 237 CO 0.02 0.63 0.29 0.28 0.00 0.00 0.00 179.25 180.48 2wtm h VAL 238 N 0.51 1.16 -0.05 0.00 2.07 -1.16 -1.29 116.25 117.48 2wtm h VAL 238 Ca -0.04 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2wtm h VAL 238 Cb 1.32 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 2wtm h VAL 238 CO 0.14 0.16 0.04 0.50 0.02 0.00 0.00 177.57 178.43 2wtm h LYS 239 N 0.67 0.07 -0.44 1.57 3.64 -1.04 -0.36 116.57 120.68 2wtm h LYS 239 Ca 0.18 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.46 2wtm h LYS 239 Cb 0.01 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 2wtm h LYS 239 CO -0.03 0.05 -0.10 0.93 -2.27 0.00 0.00 179.45 178.02 2wtm h GLU 240 N 0.07 0.78 -0.39 1.90 5.08 -1.19 0.18 114.58 121.01 2wtm h GLU 240 Ca 0.02 -0.25 -0.11 0.00 -1.00 0.00 0.00 59.36 58.02 2wtm h GLU 240 Cb -0.01 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2wtm h GLU 240 CO -0.01 0.85 -0.19 0.35 -1.00 0.00 0.00 179.01 179.02 2wtm h PHE 241 N 0.71 0.93 -0.20 4.33 3.57 -1.03 -1.80 116.94 123.44 2wtm h PHE 241 Ca 0.12 -0.23 -0.16 0.00 3.53 0.00 0.00 57.97 61.23 2wtm h PHE 241 Cb 0.58 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 2wtm h PHE 241 CO 0.03 0.98 -0.54 0.52 -2.23 0.00 0.00 178.31 177.07 2wtm h MET 242 N 0.61 0.61 -0.87 1.11 2.86 -0.90 -2.10 114.93 116.24 2wtm h MET 242 Ca 0.09 -0.38 0.02 0.00 -2.06 0.00 0.00 59.70 57.37 2wtm h MET 242 Cb 0.74 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.39 2wtm h MET 242 CO 0.06 0.99 0.57 -0.07 1.06 0.00 0.00 176.91 179.52 2wtm h LEU 243 N 0.47 0.97 -0.84 1.22 3.38 -0.86 -0.30 115.31 119.36 2wtm h LEU 243 Ca 0.01 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.03 2wtm h LEU 243 Cb 1.09 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.55 2wtm h LEU 243 CO 0.11 0.69 0.51 -0.33 0.09 0.00 0.00 178.44 179.51 2wtm h GLU 244 N 1.14 0.91 -0.11 1.13 5.08 -1.03 -1.87 114.58 119.83 2wtm h GLU 244 Ca 0.33 -0.05 -0.23 0.00 -1.00 0.00 0.00 59.36 58.41 2wtm h GLU 244 Cb -0.07 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 28.99 2wtm h GLU 244 CO -0.09 0.60 -0.84 1.96 -1.00 0.00 0.00 179.01 179.64 2wtm h GLN 245 N 0.94 0.75 0.00 2.33 1.08 -0.56 -3.32 115.11 116.33 2wtm h GLN 245 Ca 0.37 -0.65 0.00 0.00 -1.45 0.00 0.00 58.65 56.91 2wtm h GLN 245 Cb 0.17 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 2wtm h GLN 245 CO -0.17 1.25 -0.55 0.44 -0.95 0.00 0.00 178.83 178.85 2wtm n ILE 246 N -3.91 0.14 -2.01 2.54 -5.35 -0.24 -4.93 119.36 105.61 2wtm n ILE 246 Ca -0.08 -0.11 -0.41 0.00 -0.27 0.00 0.00 62.75 61.88 2wtm n ILE 246 Cb 0.78 0.07 -0.02 0.00 -1.74 0.00 0.00 39.64 38.73 2wtm n ILE 246 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wtm s ALA 247 N -3.07 3.55 0.00 -1.28 0.00 -0.71 -5.08 121.76 115.17 2wtm s ALA 247 Ca 0.09 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.41 2wtm s ALA 247 Cb 0.16 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2wtm s ALA 247 CO 0.70 -0.77 0.32 1.63 0.00 0.00 0.00 175.76 177.64