#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xw5 s MET 2 N 0.00 4.54 -0.15 0.54 1.75 -1.07 -4.83 119.30 120.08 1xw5 s MET 2 Ca 0.00 1.89 0.00 0.00 -1.25 0.00 0.00 55.69 56.33 1xw5 s MET 2 Cb 0.00 -3.20 -0.00 0.00 2.84 0.00 0.00 34.83 34.47 1xw5 s MET 2 CO 0.00 0.03 -0.16 0.99 -0.65 0.00 0.00 175.02 175.23 1xw5 s THR 3 N -0.67 2.60 -0.29 10.11 2.01 -0.08 -0.19 115.64 129.12 1xw5 s THR 3 Ca 0.49 -0.79 -0.05 0.00 0.31 0.00 0.00 61.69 61.64 1xw5 s THR 3 Cb -0.33 -2.09 0.02 0.00 0.01 0.00 0.00 72.50 70.11 1xw5 s THR 3 CO 0.41 0.52 0.04 -0.22 -0.69 0.00 0.00 174.62 174.68 1xw5 s LEU 4 N 0.81 3.80 -0.14 4.42 2.96 0.03 -0.63 118.68 129.93 1xw5 s LEU 4 Ca -0.05 -0.90 -0.05 0.00 -0.22 0.00 0.00 54.13 52.90 1xw5 s LEU 4 Cb -0.15 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 1xw5 s LEU 4 CO -0.00 -0.21 0.03 -0.83 -1.32 0.00 0.00 176.35 174.02 1xw5 s GLY 5 N 1.41 1.88 0.12 7.98 0.00 -0.69 -0.63 107.32 117.39 1xw5 s GLY 5 Ca 0.00 -0.76 -0.26 0.00 0.00 0.00 0.00 44.72 43.70 1xw5 s GLY 5 CO 0.01 -0.19 1.06 -0.47 0.00 0.00 0.00 173.10 173.50 1xw5 s TYR 6 N -0.14 -0.06 0.98 1.90 5.04 -1.00 -1.98 117.35 122.08 1xw5 s TYR 6 Ca 0.06 -0.22 -0.11 0.00 -2.44 0.00 0.00 57.07 54.36 1xw5 s TYR 6 Cb -0.12 0.63 0.18 0.00 0.35 0.00 0.00 41.96 43.00 1xw5 s TYR 6 CO 0.02 -0.72 1.09 -1.58 -1.34 0.00 0.00 175.55 173.01 1xw5 s TRP 7 N -2.83 1.85 -0.60 4.97 0.52 -1.26 -1.52 118.94 120.08 1xw5 s TRP 7 Ca 0.15 1.39 -0.06 0.00 0.02 0.00 0.00 56.10 57.60 1xw5 s TRP 7 Cb -0.00 -3.19 -0.07 0.00 -1.15 0.00 0.00 33.47 29.06 1xw5 s TRP 7 CO 0.02 -2.93 3.05 -1.71 0.02 0.00 0.00 176.95 175.40 1xw5 n ASN 8 N -4.28 6.63 -4.04 2.95 5.15 0.01 -4.63 115.26 117.05 1xw5 n ASN 8 Ca 0.07 -2.84 -0.17 0.00 -0.60 0.00 0.00 54.58 51.04 1xw5 n ASN 8 Cb 0.54 -1.37 -0.09 0.00 -0.53 0.00 0.00 39.78 38.33 1xw5 n ASN 8 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1xw5 s ILE 9 N -0.23 0.28 -0.02 -1.44 -4.36 -1.26 -4.57 121.20 109.60 1xw5 s ILE 9 Ca 0.63 -2.00 -0.08 0.00 -0.26 0.00 0.00 60.65 58.93 1xw5 s ILE 9 Cb 0.30 -2.53 -0.05 0.00 1.25 0.00 0.00 42.46 41.43 1xw5 s ILE 9 CO -0.10 0.00 0.50 -0.09 0.24 0.00 0.00 174.94 175.49 1xw5 h ARG 10 N 2.31 -0.29 0.00 0.37 2.43 -1.19 -3.45 114.38 114.56 1xw5 h ARG 10 Ca -0.34 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1xw5 h ARG 10 Cb 1.25 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 1xw5 h ARG 10 CO 0.53 -0.19 0.00 0.41 -1.51 0.00 0.00 179.97 179.20 1xw5 n GLY 11 N 0.65 1.14 0.00 2.80 0.00 -0.46 -2.02 105.19 107.31 1xw5 n GLY 11 Ca -0.04 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 45.98 1xw5 n GLY 11 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xw5 n LEU 12 N 0.00 0.00 -0.12 0.99 4.77 -1.26 -3.34 117.00 118.04 1xw5 n LEU 12 Ca 0.00 0.31 0.11 0.00 -0.03 0.00 0.00 56.01 56.41 1xw5 n LEU 12 Cb 0.00 -0.31 0.09 0.00 -2.33 0.00 0.00 43.42 40.87 1xw5 n LEU 12 CO 0.00 -0.09 0.28 0.00 -1.33 0.00 0.00 177.39 176.25 1xw5 n ALA 13 N -1.31 3.92 0.14 -1.18 0.00 -0.89 -4.52 120.51 116.66 1xw5 n ALA 13 Ca 0.10 -0.50 -0.13 0.00 0.00 0.00 0.00 53.44 52.90 1xw5 n ALA 13 Cb 0.18 -0.94 -0.06 0.00 0.00 0.00 0.00 19.45 18.63 1xw5 n ALA 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1xw5 h HIS 14 N 0.58 -0.70 -0.96 0.00 6.17 -1.40 -0.06 115.15 118.77 1xw5 h HIS 14 Ca 0.00 0.01 0.03 0.00 0.71 0.00 0.00 60.37 61.12 1xw5 h HIS 14 Cb 0.54 0.28 -0.05 0.00 2.52 0.00 0.00 27.41 30.71 1xw5 h HIS 14 CO 0.00 -0.37 0.64 0.77 0.71 0.00 0.00 177.93 179.67 1xw5 h SER 15 N -0.51 1.07 -0.20 3.26 0.02 -1.83 -1.93 113.55 113.43 1xw5 h SER 15 Ca 0.01 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1xw5 h SER 15 Cb 0.51 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1xw5 h SER 15 CO -0.11 0.75 0.00 0.40 -1.14 0.00 0.00 176.83 176.74 1xw5 h ILE 16 N 1.25 1.25 -0.59 3.27 2.04 -1.74 -0.76 117.51 122.23 1xw5 h ILE 16 Ca 0.37 -0.86 0.01 0.00 1.00 0.00 0.00 64.86 65.38 1xw5 h ILE 16 Cb -0.05 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 1xw5 h ILE 16 CO -0.10 0.26 0.39 0.03 0.00 0.00 0.00 178.15 178.73 1xw5 h ARG 17 N 0.11 0.77 -0.55 2.37 3.08 -0.78 0.70 114.38 120.09 1xw5 h ARG 17 Ca 0.06 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1xw5 h ARG 17 Cb 0.39 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1xw5 h ARG 17 CO 0.01 0.51 0.20 -0.07 -1.07 0.00 0.00 179.97 179.55 1xw5 h LEU 18 N 0.79 0.77 -0.58 3.04 3.38 -1.31 -1.60 115.31 119.80 1xw5 h LEU 18 Ca 0.22 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1xw5 h LEU 18 Cb -0.07 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1xw5 h LEU 18 CO -0.06 0.75 0.13 0.25 0.09 0.00 0.00 178.44 179.60 1xw5 h LEU 19 N 0.75 0.89 -0.73 1.67 5.85 -0.58 -0.21 115.31 122.95 1xw5 h LEU 19 Ca 0.18 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1xw5 h LEU 19 Cb 0.23 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1xw5 h LEU 19 CO -0.01 0.90 0.45 -0.07 -0.34 0.00 0.00 178.44 179.36 1xw5 h LEU 20 N 0.84 0.88 -0.29 2.25 3.38 -0.70 -1.16 115.31 120.50 1xw5 h LEU 20 Ca 0.18 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1xw5 h LEU 20 Cb 0.36 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1xw5 h LEU 20 CO 0.00 0.68 0.00 -0.33 0.09 0.00 0.00 178.44 178.89 1xw5 h GLU 21 N 1.00 0.51 -0.57 1.13 4.39 -1.02 -0.18 114.58 119.84 1xw5 h GLU 21 Ca 0.26 -0.16 0.01 0.00 0.34 0.00 0.00 59.36 59.81 1xw5 h GLU 21 Cb -0.04 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 1xw5 h GLU 21 CO -0.05 0.65 0.38 -0.92 -1.16 0.00 0.00 179.01 177.91 1xw5 h TYR 22 N 0.30 0.72 0.00 4.33 3.20 -0.86 -2.40 116.97 122.26 1xw5 h TYR 22 Ca 0.08 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1xw5 h TYR 22 Cb 0.42 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.45 1xw5 h TYR 22 CO 0.03 0.45 0.00 0.25 -1.64 0.00 0.00 178.16 177.26 1xw5 n THR 23 N -4.69 0.05 -3.67 1.81 -2.24 -0.46 -4.90 114.28 100.19 1xw5 n THR 23 Ca 0.04 0.01 -0.25 0.00 -2.27 0.00 0.00 64.05 61.58 1xw5 n THR 23 Cb 0.02 -0.57 0.06 0.00 -2.10 0.00 0.00 70.33 67.74 1xw5 n THR 23 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1xw5 n ASP 24 N -1.10 -5.15 -4.81 3.42 2.03 -0.85 -4.96 116.55 105.13 1xw5 n ASP 24 Ca 0.18 -0.63 -0.33 0.00 0.52 0.00 0.00 54.79 54.53 1xw5 n ASP 24 Cb 0.14 -4.70 -0.02 0.00 -0.72 0.00 0.00 41.12 35.82 1xw5 n ASP 24 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1xw5 s SER 25 N -3.51 6.17 -0.42 1.67 0.01 -0.14 -5.02 113.70 112.47 1xw5 s SER 25 Ca 0.50 1.83 -0.19 0.00 1.31 0.00 0.00 55.95 59.40 1xw5 s SER 25 Cb -0.23 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.48 1xw5 s SER 25 CO 0.76 -0.90 0.52 -0.55 0.41 0.00 0.00 173.24 173.48 1xw5 s SER 26 N -2.45 6.25 0.19 2.44 0.15 -1.26 -4.86 113.70 114.15 1xw5 s SER 26 Ca 0.64 -0.51 -0.14 0.00 0.70 0.00 0.00 55.95 56.64 1xw5 s SER 26 Cb -0.15 -2.26 0.01 0.00 -1.71 0.00 0.00 66.02 61.91 1xw5 s SER 26 CO 0.28 -0.65 0.44 -0.72 1.20 0.00 0.00 173.24 173.79 1xw5 s TYR 27 N 2.40 0.08 0.09 3.44 1.13 -1.26 -2.58 117.35 120.65 1xw5 s TYR 27 Ca 0.16 -0.43 0.02 0.00 -1.41 0.00 0.00 57.07 55.41 1xw5 s TYR 27 Cb -0.16 0.23 -0.04 0.00 -1.10 0.00 0.00 41.96 40.90 1xw5 s TYR 27 CO 0.16 -0.86 -0.07 -1.83 -2.51 0.00 0.00 175.55 170.44 1xw5 s GLU 28 N -3.91 0.79 -0.06 -3.49 -1.05 0.74 -4.75 118.70 106.96 1xw5 s GLU 28 Ca 0.12 -1.24 0.04 0.00 -0.15 0.00 0.00 54.97 53.74 1xw5 s GLU 28 Cb 0.00 -0.23 -0.02 0.00 -0.44 0.00 0.00 34.13 33.44 1xw5 s GLU 28 CO -0.01 -0.00 -0.17 -1.21 0.95 0.00 0.00 175.26 174.82 1xw5 s GLU 29 N -3.44 2.61 -0.47 -4.83 2.02 -1.26 -0.79 118.70 112.54 1xw5 s GLU 29 Ca 0.08 -0.75 -0.12 0.00 0.02 0.00 0.00 54.97 54.21 1xw5 s GLU 29 Cb 0.03 -2.36 0.10 0.00 0.10 0.00 0.00 34.13 32.00 1xw5 s GLU 29 CO -0.04 0.52 0.36 0.21 0.02 0.00 0.00 175.26 176.33 1xw5 s LYS 30 N -0.46 2.73 -0.04 1.61 2.36 0.20 -4.91 119.74 121.22 1xw5 s LYS 30 Ca 0.06 -1.57 -0.16 0.00 -2.55 0.00 0.00 55.97 51.75 1xw5 s LYS 30 Cb -0.12 -4.00 -0.05 0.00 -1.05 0.00 0.00 37.83 32.61 1xw5 s LYS 30 CO 0.02 -1.11 0.44 0.15 1.55 0.00 0.00 175.35 176.40 1xw5 s LYS 31 N 1.49 4.09 -0.10 4.03 1.02 -1.26 -2.38 119.74 126.63 1xw5 s LYS 31 Ca 0.04 0.44 0.02 0.00 0.02 0.00 0.00 55.97 56.49 1xw5 s LYS 31 Cb -0.26 -3.30 -0.01 0.00 -0.52 0.00 0.00 37.83 33.74 1xw5 s LYS 31 CO 0.02 0.50 -0.17 0.71 -0.92 0.00 0.00 175.35 175.49 1xw5 s TYR 32 N -0.48 2.69 -0.21 3.18 2.02 -0.57 -4.95 117.35 119.02 1xw5 s TYR 32 Ca 0.24 -0.63 -0.05 0.00 -0.37 0.00 0.00 57.07 56.26 1xw5 s TYR 32 Cb -0.16 -1.74 -0.02 0.00 -0.40 0.00 0.00 41.96 39.64 1xw5 s TYR 32 CO 0.12 -0.17 -0.01 0.99 -1.57 0.00 0.00 175.55 174.91 1xw5 s THR 33 N 0.06 3.78 0.35 -0.71 2.01 -1.26 -0.81 115.64 119.05 1xw5 s THR 33 Ca -0.07 -0.37 -0.24 0.00 0.31 0.00 0.00 61.69 61.32 1xw5 s THR 33 Cb -0.15 -2.72 -0.10 0.00 0.01 0.00 0.00 72.50 69.54 1xw5 s THR 33 CO 0.05 0.42 0.93 -0.32 -0.69 0.00 0.00 174.62 175.01 1xw5 s MET 34 N 1.22 4.47 0.70 4.92 1.75 -1.26 -4.75 119.30 126.35 1xw5 s MET 34 Ca 0.03 1.25 -0.11 0.00 -1.25 0.00 0.00 55.69 55.61 1xw5 s MET 34 Cb -0.15 -2.64 0.01 0.00 2.84 0.00 0.00 34.83 34.89 1xw5 s MET 34 CO 0.01 0.20 1.06 0.20 -0.65 0.00 0.00 175.02 175.84 1xw5 s GLY 35 N -1.77 1.66 1.01 2.11 0.00 0.06 -4.87 107.32 105.52 1xw5 s GLY 35 Ca 0.53 -0.03 -0.16 0.00 0.00 0.00 0.00 44.72 45.06 1xw5 s GLY 35 CO 0.21 0.30 1.21 0.99 0.00 0.00 0.00 173.10 175.80 1xw5 s ASP 36 N -3.93 2.62 0.70 1.64 1.01 -1.26 -3.84 116.67 113.61 1xw5 s ASP 36 Ca 0.58 0.56 -0.16 0.00 0.71 0.00 0.00 52.55 54.25 1xw5 s ASP 36 Cb -0.13 -0.81 0.02 0.00 1.01 0.00 0.00 42.92 43.01 1xw5 s ASP 36 CO 0.54 -3.06 1.20 0.00 0.21 0.00 0.00 175.17 174.06 1xw5 s ALA 37 N -3.47 2.21 -0.80 5.23 0.00 -1.26 -1.29 121.76 122.39 1xw5 s ALA 37 Ca 0.70 0.88 0.24 0.00 0.00 0.00 0.00 51.96 53.78 1xw5 s ALA 37 Cb -0.08 -3.46 0.40 0.00 0.00 0.00 0.00 23.12 19.97 1xw5 s ALA 37 CO 0.54 -1.73 1.34 -0.35 0.00 0.00 0.00 175.76 175.56 1xw5 n PRO 38 N -2.52 0.16 -0.12 0.00 -0.04 -1.26 -4.79 135.00 126.42 1xw5 n PRO 38 Ca 0.13 0.04 -0.13 0.00 -0.04 0.00 0.00 63.50 63.50 1xw5 n PRO 38 Cb 0.50 -1.59 -0.01 0.00 -0.04 0.00 0.00 33.50 32.36 1xw5 n PRO 38 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1xw5 h ASP 39 N 0.00 1.00 -6.22 3.54 3.32 -1.91 -3.48 116.42 112.68 1xw5 h ASP 39 Ca 0.00 -0.45 -0.45 0.00 0.02 0.00 0.00 57.03 56.16 1xw5 h ASP 39 Cb 0.63 -0.28 0.02 0.00 0.22 0.00 0.00 39.33 39.92 1xw5 h ASP 39 CO 0.00 1.25 -0.85 -1.22 -1.72 0.00 0.00 179.24 176.70 1xw5 n TYR 40 N -4.07 -1.82 -1.70 4.55 4.02 -0.41 -4.80 117.16 112.93 1xw5 n TYR 40 Ca -0.02 0.80 -0.55 0.00 -0.01 0.00 0.00 57.90 58.13 1xw5 n TYR 40 Cb 0.53 -4.16 -0.06 0.00 -0.02 0.00 0.00 39.34 35.62 1xw5 n TYR 40 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1xw5 n ASP 41 N -3.03 2.61 -0.56 7.72 2.03 -1.25 -4.47 116.55 119.60 1xw5 n ASP 41 Ca -0.30 1.05 0.05 0.00 0.52 0.00 0.00 54.79 56.11 1xw5 n ASP 41 Cb 0.68 -1.21 0.12 0.00 -0.72 0.00 0.00 41.12 40.00 1xw5 n ASP 41 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1xw5 n ARG 42 N 5.44 2.32 -0.04 -0.67 1.74 -1.26 -0.76 116.66 123.42 1xw5 n ARG 42 Ca 0.25 -1.81 0.19 0.00 -0.77 0.00 0.00 57.85 55.70 1xw5 n ARG 42 Cb 0.18 -1.24 0.64 0.00 -1.02 0.00 0.00 32.46 31.02 1xw5 n ARG 42 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1xw5 h SER 43 N 1.95 0.10 -0.79 0.55 4.64 -1.92 -1.22 113.55 116.86 1xw5 h SER 43 Ca 0.00 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.42 1xw5 h SER 43 Cb 0.65 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 62.68 1xw5 h SER 43 CO 0.00 0.05 0.52 -0.61 -0.87 0.00 0.00 176.83 175.92 1xw5 h GLN 44 N 0.10 0.71 0.03 4.77 4.15 -1.85 0.22 115.11 123.24 1xw5 h GLN 44 Ca 0.28 -0.04 -0.24 0.00 0.77 0.00 0.00 58.65 59.42 1xw5 h GLN 44 Cb 0.97 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.47 1xw5 h GLN 44 CO -0.03 0.47 -1.27 2.35 -1.93 0.00 0.00 178.83 178.42 1xw5 h TRP 45 N 0.73 0.12 -0.04 3.99 -0.00 -1.63 -3.39 115.95 115.74 1xw5 h TRP 45 Ca 0.36 -0.09 0.01 0.00 -0.00 0.00 0.00 58.89 59.18 1xw5 h TRP 45 Cb 0.43 -0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.59 1xw5 h TRP 45 CO -0.00 1.50 0.04 -0.07 -0.00 0.00 0.00 178.44 179.91 1xw5 h LEU 46 N -0.78 0.00 -0.68 0.65 3.38 -1.00 -0.02 115.31 116.86 1xw5 h LEU 46 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1xw5 h LEU 46 Cb 1.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.18 1xw5 h LEU 46 CO -0.12 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.00 1xw5 n ASN 47 N -4.08 0.71 0.00 -0.43 3.02 0.73 -3.41 115.26 111.81 1xw5 n ASN 47 Ca -0.02 0.67 0.00 0.00 -0.03 0.00 0.00 54.58 55.20 1xw5 n ASN 47 Cb 0.13 -0.82 0.00 0.00 -0.61 0.00 0.00 39.78 38.48 1xw5 n ASN 47 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1xw5 n GLU 48 N -2.28 0.24 -0.29 3.52 0.28 -0.76 -4.89 120.64 116.47 1xw5 n GLU 48 Ca 0.02 -0.43 0.08 0.00 -0.16 0.00 0.00 57.16 56.67 1xw5 n GLU 48 Cb 0.25 -0.61 0.23 0.00 1.43 0.00 0.00 31.44 32.73 1xw5 n GLU 48 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1xw5 h LYS 49 N 0.00 0.52 -0.66 3.44 3.64 -1.05 -1.94 116.57 120.53 1xw5 h LYS 49 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1xw5 h LYS 49 Cb 0.64 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1xw5 h LYS 49 CO 0.00 0.34 0.00 1.19 -2.27 0.00 0.00 179.45 178.71 1xw5 n PHE 50 N -4.94 1.42 -0.24 1.91 3.72 -1.26 -4.15 117.46 113.91 1xw5 n PHE 50 Ca 0.17 -0.57 0.04 0.00 -0.05 0.00 0.00 57.45 57.04 1xw5 n PHE 50 Cb 0.47 -0.23 0.09 0.00 -0.94 0.00 0.00 39.48 38.87 1xw5 n PHE 50 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1xw5 n LYS 51 N 1.10 2.80 0.00 -1.08 5.02 -0.73 -4.64 118.16 120.62 1xw5 n LYS 51 Ca 0.25 -1.92 0.11 0.00 -2.02 0.00 0.00 58.31 54.73 1xw5 n LYS 51 Cb 0.85 -1.22 -0.01 0.00 -0.02 0.00 0.00 35.03 34.63 1xw5 n LYS 51 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1xw5 n LEU 52 N -0.18 1.73 0.00 -0.35 4.77 -1.23 -4.97 117.00 116.77 1xw5 n LEU 52 Ca 0.08 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 1xw5 n LEU 52 Cb 0.40 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1xw5 n LEU 52 CO 0.04 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1xw5 n GLY 53 N 1.44 0.49 3.73 -0.72 0.00 -1.26 -5.02 105.19 103.84 1xw5 n GLY 53 Ca 0.08 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 1xw5 n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xw5 s LEU 54 N 0.00 4.46 0.20 0.99 1.43 -1.26 -4.94 118.68 119.55 1xw5 s LEU 54 Ca 0.00 2.07 -0.07 0.00 -1.03 0.00 0.00 54.13 55.10 1xw5 s LEU 54 Cb 0.00 -3.60 0.12 0.00 0.03 0.00 0.00 46.19 42.74 1xw5 s LEU 54 CO 0.00 -0.28 1.65 0.44 0.23 0.00 0.00 176.35 178.39 1xw5 h ASP 55 N 5.50 0.98 -2.45 2.29 3.32 -1.96 -3.33 116.42 120.77 1xw5 h ASP 55 Ca -0.44 -0.29 -0.59 0.00 0.02 0.00 0.00 57.03 55.73 1xw5 h ASP 55 Cb 1.21 -0.26 -0.40 0.00 0.22 0.00 0.00 39.33 40.10 1xw5 h ASP 55 CO 0.74 1.06 -0.86 0.49 -1.72 0.00 0.00 179.24 178.95 1xw5 n PHE 56 N -4.17 0.74 -1.62 4.55 3.72 -1.26 -5.10 117.46 114.31 1xw5 n PHE 56 Ca 0.02 -3.70 -0.63 0.00 -0.05 0.00 0.00 57.45 53.09 1xw5 n PHE 56 Cb 0.36 -0.17 -0.09 0.00 -0.94 0.00 0.00 39.48 38.65 1xw5 n PHE 56 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1xw5 n PRO 57 N 2.12 0.11 -3.64 -1.08 -0.02 -1.25 -4.86 135.00 126.37 1xw5 n PRO 57 Ca 0.26 0.04 -0.05 0.00 -2.02 0.00 0.00 63.50 61.73 1xw5 n PRO 57 Cb 0.45 -1.55 -0.02 0.00 -0.02 0.00 0.00 33.50 32.36 1xw5 n PRO 57 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1xw5 s ASN 58 N 1.50 -0.23 -0.08 2.55 3.84 -1.26 -5.10 114.94 116.16 1xw5 s ASN 58 Ca 0.97 -0.20 0.05 0.00 0.21 0.00 0.00 52.86 53.89 1xw5 s ASN 58 Cb -1.35 0.39 -0.01 0.00 -0.55 0.00 0.00 41.25 39.74 1xw5 s ASN 58 CO 0.68 -0.69 -0.23 -0.76 -2.79 0.00 0.00 177.10 173.31 1xw5 s LEU 59 N -2.73 2.17 0.68 3.21 1.43 -1.26 -3.98 118.68 118.21 1xw5 s LEU 59 Ca 0.10 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.59 1xw5 s LEU 59 Cb -0.01 -1.42 -0.00 0.00 0.03 0.00 0.00 46.19 44.79 1xw5 s LEU 59 CO -0.03 0.21 1.07 -2.16 0.23 0.00 0.00 176.35 175.67 1xw5 s PRO 60 N 0.02 3.09 0.05 1.29 0.04 -1.26 -4.92 135.00 133.31 1xw5 s PRO 60 Ca -0.09 0.54 0.02 0.00 0.04 0.00 0.00 61.00 61.51 1xw5 s PRO 60 Cb -0.15 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 1xw5 s PRO 60 CO 0.05 -0.88 -0.07 1.52 0.04 0.00 0.00 177.00 177.66 1xw5 s TYR 61 N -3.29 0.70 -0.08 0.56 -0.85 -0.84 -3.77 117.35 109.78 1xw5 s TYR 61 Ca 0.57 -0.61 0.01 0.00 -0.52 0.00 0.00 57.07 56.52 1xw5 s TYR 61 Cb -0.11 -0.42 0.02 0.00 0.38 0.00 0.00 41.96 41.83 1xw5 s TYR 61 CO 0.52 -0.11 -0.09 -1.17 -1.52 0.00 0.00 175.55 173.18 1xw5 s LEU 62 N -1.95 1.42 -0.24 -3.49 2.96 0.66 -1.70 118.68 116.34 1xw5 s LEU 62 Ca -0.05 -0.27 -0.04 0.00 -0.22 0.00 0.00 54.13 53.55 1xw5 s LEU 62 Cb -0.06 -0.76 0.00 0.00 0.50 0.00 0.00 46.19 45.87 1xw5 s LEU 62 CO -0.01 -0.03 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.34 1xw5 s ILE 63 N 1.06 3.46 -0.49 6.68 1.01 0.20 -0.81 121.20 132.31 1xw5 s ILE 63 Ca -0.08 -0.62 0.03 0.00 0.00 0.00 0.00 60.65 59.99 1xw5 s ILE 63 Cb -0.14 -2.66 0.15 0.00 0.01 0.00 0.00 42.46 39.82 1xw5 s ILE 63 CO -0.01 0.30 0.32 -0.62 0.00 0.00 0.00 174.94 174.94 1xw5 s ASP 64 N 1.46 3.28 1.62 3.58 2.15 0.27 -0.91 116.67 128.12 1xw5 s ASP 64 Ca 0.04 -3.00 0.00 0.00 0.43 0.00 0.00 52.55 50.02 1xw5 s ASP 64 Cb -0.15 -0.97 0.00 0.00 -0.30 0.00 0.00 42.92 41.49 1xw5 s ASP 64 CO -0.02 -0.20 0.00 0.61 -0.17 0.00 0.00 175.17 175.39 1xw5 n GLY 65 N 3.02 2.55 0.00 2.66 0.00 -1.26 -1.69 105.19 110.47 1xw5 n GLY 65 Ca 0.17 -0.29 0.11 0.00 0.00 0.00 0.00 46.02 46.02 1xw5 n GLY 65 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xw5 n THR 66 N 0.00 0.37 -2.96 2.61 -2.24 -1.26 -4.67 114.28 106.13 1xw5 n THR 66 Ca 0.00 0.09 -0.43 0.00 -2.27 0.00 0.00 64.05 61.44 1xw5 n THR 66 Cb 0.00 -0.69 -0.05 0.00 -2.10 0.00 0.00 70.33 67.49 1xw5 n THR 66 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1xw5 s HIS 67 N -2.95 2.90 -0.27 4.78 3.76 -0.68 -5.02 115.29 117.82 1xw5 s HIS 67 Ca 0.13 -0.16 -0.05 0.00 -0.15 0.00 0.00 55.06 54.83 1xw5 s HIS 67 Cb 0.15 -3.84 0.01 0.00 1.11 0.00 0.00 32.58 30.01 1xw5 s HIS 67 CO 0.42 -1.20 0.01 0.15 -0.85 0.00 0.00 174.74 173.27 1xw5 s LYS 68 N 3.43 3.07 -0.06 1.40 1.02 -1.26 -0.57 119.74 126.78 1xw5 s LYS 68 Ca 0.25 -0.85 0.04 0.00 0.02 0.00 0.00 55.97 55.44 1xw5 s LYS 68 Cb -0.15 -3.18 -0.00 0.00 -0.52 0.00 0.00 37.83 33.98 1xw5 s LYS 68 CO 0.17 -0.38 -0.19 0.42 -0.92 0.00 0.00 175.35 174.45 1xw5 s ILE 69 N 1.44 1.64 0.49 2.17 1.01 0.01 -4.77 121.20 123.19 1xw5 s ILE 69 Ca 0.02 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 59.90 1xw5 s ILE 69 Cb -0.16 -1.41 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 1xw5 s ILE 69 CO -0.01 0.47 0.16 0.42 0.00 0.00 0.00 174.94 175.98 1xw5 s THR 70 N 0.12 1.60 -0.01 2.92 -4.23 -1.26 -0.24 115.64 114.54 1xw5 s THR 70 Ca -0.08 -1.79 -0.01 0.00 -1.18 0.00 0.00 61.69 58.64 1xw5 s THR 70 Cb -0.14 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.32 1xw5 s THR 70 CO 0.04 0.00 0.02 0.00 -0.54 0.00 0.00 174.62 174.14 1xw5 n GLN 71 N -1.39 -1.22 -0.31 3.99 1.13 -1.25 -4.40 117.38 113.94 1xw5 n GLN 71 Ca -0.09 1.28 0.16 0.00 -1.94 0.00 0.00 57.00 56.40 1xw5 n GLN 71 Cb 0.66 -1.69 0.33 0.00 0.11 0.00 0.00 30.24 29.64 1xw5 n GLN 71 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1xw5 h SER 72 N 1.03 -0.01 -0.58 1.08 4.64 -1.90 0.17 113.55 117.97 1xw5 h SER 72 Ca -0.05 0.22 -0.04 0.00 -0.47 0.00 0.00 61.79 61.45 1xw5 h SER 72 Cb 0.11 0.29 -0.03 0.00 -0.31 0.00 0.00 62.40 62.47 1xw5 h SER 72 CO 0.00 -0.21 0.21 0.78 -0.87 0.00 0.00 176.83 176.74 1xw5 h ASN 73 N 0.17 0.83 0.09 4.97 2.35 -1.95 -0.46 115.58 121.58 1xw5 h ASN 73 Ca 0.60 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 56.08 1xw5 h ASN 73 Cb 1.27 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 39.41 1xw5 h ASN 73 CO -0.71 0.79 -0.25 0.00 -1.65 0.00 0.00 177.43 175.62 1xw5 h ALA 74 N 1.06 1.30 -0.15 -0.83 0.00 -1.26 -1.29 119.26 118.09 1xw5 h ALA 74 Ca 0.19 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1xw5 h ALA 74 Cb 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1xw5 h ALA 74 CO -0.01 0.47 -0.32 0.82 0.00 0.00 0.00 179.25 180.22 1xw5 h ILE 75 N 0.25 1.36 -0.64 0.00 2.04 -0.76 -1.29 117.51 118.47 1xw5 h ILE 75 Ca 0.04 -1.58 -0.01 0.00 1.00 0.00 0.00 64.86 64.31 1xw5 h ILE 75 Cb 0.58 1.99 -0.03 0.00 -0.74 0.00 0.00 36.82 38.62 1xw5 h ILE 75 CO 0.04 0.47 0.37 -0.07 0.00 0.00 0.00 178.15 178.96 1xw5 h LEU 76 N 0.10 0.79 -0.59 1.44 3.38 -0.92 -2.05 115.31 117.46 1xw5 h LEU 76 Ca 0.00 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 1xw5 h LEU 76 Cb 0.91 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1xw5 h LEU 76 CO 0.07 0.64 -0.03 0.03 0.09 0.00 0.00 178.44 179.24 1xw5 h ARG 77 N 0.88 1.06 -0.07 1.13 3.08 -1.23 -0.33 114.38 118.90 1xw5 h ARG 77 Ca 0.23 -0.36 0.01 0.00 0.07 0.00 0.00 59.98 59.94 1xw5 h ARG 77 Cb 0.01 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1xw5 h ARG 77 CO -0.04 1.06 -0.02 -0.92 -1.07 0.00 0.00 179.97 178.98 1xw5 h TYR 78 N 0.95 -0.04 -0.45 3.04 3.20 -0.95 -0.71 116.97 122.01 1xw5 h TYR 78 Ca 0.16 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.98 1xw5 h TYR 78 Cb 0.60 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 1xw5 h TYR 78 CO 0.04 -0.03 0.05 0.82 -1.64 0.00 0.00 178.16 177.40 1xw5 h ILE 79 N -0.00 1.25 -0.61 1.81 2.04 -1.32 -3.16 117.51 117.52 1xw5 h ILE 79 Ca 0.03 -0.96 0.01 0.00 1.00 0.00 0.00 64.86 64.95 1xw5 h ILE 79 Cb 0.05 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1xw5 h ILE 79 CO -0.07 0.33 0.40 0.00 0.00 0.00 0.00 178.15 178.81 1xw5 h ALA 80 N 0.93 0.78 0.00 1.87 0.00 -0.83 -2.35 119.26 119.67 1xw5 h ALA 80 Ca 0.13 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1xw5 h ALA 80 Cb 0.43 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1xw5 h ALA 80 CO 0.01 0.19 -0.00 0.00 0.00 0.00 0.00 179.25 179.45 1xw5 h ARG 81 N 0.81 0.00 0.00 0.00 3.08 -1.10 -0.62 114.38 116.55 1xw5 h ARG 81 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1xw5 h ARG 81 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1xw5 h ARG 81 CO -0.06 0.00 0.00 -0.22 -1.07 0.00 0.00 179.97 178.62 1xw5 h LYS 82 N 0.00 0.00 0.00 0.04 3.64 -1.40 -3.35 116.57 115.50 1xw5 h LYS 82 Ca -0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1xw5 h LYS 82 Cb 0.01 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.75 1xw5 h LYS 82 CO 0.00 0.00 -0.48 0.72 -2.27 0.00 0.00 179.45 177.42 1xw5 n HIS 83 N -2.37 0.00 -3.65 1.91 8.25 -0.32 -5.02 115.22 114.02 1xw5 n HIS 83 Ca 0.05 -0.66 -0.22 0.00 -0.26 0.00 0.00 57.72 56.63 1xw5 n HIS 83 Cb 0.42 -0.14 0.05 0.00 1.12 0.00 0.00 29.99 31.45 1xw5 n HIS 83 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1xw5 n ASN 84 N -0.49 -2.70 -2.06 0.41 4.05 -0.95 -4.93 115.26 108.60 1xw5 n ASN 84 Ca 0.09 -0.72 -0.26 0.00 0.45 0.00 0.00 54.58 54.14 1xw5 n ASN 84 Cb 0.78 -4.45 0.03 0.00 1.23 0.00 0.00 39.78 37.37 1xw5 n ASN 84 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1xw5 n LEU 85 N -4.40 5.36 -4.25 1.20 4.77 -0.69 -4.98 117.00 114.00 1xw5 n LEU 85 Ca -0.20 -4.67 -0.14 0.00 -0.03 0.00 0.00 56.01 50.97 1xw5 n LEU 85 Cb 0.63 -0.44 -0.10 0.00 -2.33 0.00 0.00 43.42 41.18 1xw5 n LEU 85 CO 0.67 2.00 -0.38 0.00 -1.33 0.00 0.00 177.39 178.35 1xw5 s GLY 87 N -3.17 2.88 -0.16 0.00 0.00 -1.26 -4.98 107.32 100.63 1xw5 s GLY 87 Ca 0.19 1.20 -0.11 0.00 0.00 0.00 0.00 44.72 46.00 1xw5 s GLY 87 CO 0.02 1.74 -0.25 1.18 0.00 0.00 0.00 173.10 175.78 1xw5 n GLU 88 N -0.29 0.40 -1.61 2.90 1.02 -1.26 -4.67 120.64 117.13 1xw5 n GLU 88 Ca 0.06 0.17 -0.30 0.00 -0.02 0.00 0.00 57.16 57.07 1xw5 n GLU 88 Cb 0.45 -1.19 0.09 0.00 -0.02 0.00 0.00 31.44 30.77 1xw5 n GLU 88 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1xw5 s SER 89 N -6.47 4.54 0.24 1.62 1.04 -1.26 -4.82 113.70 108.59 1xw5 s SER 89 Ca -0.25 1.24 -0.06 0.00 0.48 0.00 0.00 55.95 57.36 1xw5 s SER 89 Cb 0.08 -1.96 0.31 0.00 0.10 0.00 0.00 66.02 64.55 1xw5 s SER 89 CO 0.33 -1.93 1.86 -0.08 0.98 0.00 0.00 173.24 174.40 1xw5 h GLU 90 N -1.06 0.97 -0.61 4.02 4.57 -1.99 -0.64 114.58 119.84 1xw5 h GLU 90 Ca -0.47 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 57.62 1xw5 h GLU 90 Cb 1.27 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 29.62 1xw5 h GLU 90 CO 0.60 0.64 0.25 0.87 -1.18 0.00 0.00 179.01 180.20 1xw5 h LYS 91 N 1.00 0.91 -0.56 1.92 1.57 -2.00 -1.49 116.57 117.93 1xw5 h LYS 91 Ca 0.36 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1xw5 h LYS 91 Cb 0.12 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1xw5 h LYS 91 CO -0.15 0.77 0.22 0.93 -0.57 0.00 0.00 179.45 180.65 1xw5 h GLU 92 N 0.85 0.83 -0.46 3.15 5.08 -1.75 -1.84 114.58 120.44 1xw5 h GLU 92 Ca 0.20 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1xw5 h GLU 92 Cb 0.19 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1xw5 h GLU 92 CO -0.02 0.72 0.10 1.96 -1.00 0.00 0.00 179.01 180.77 1xw5 h GLN 93 N 0.76 0.70 -0.22 2.33 4.20 -0.97 0.20 115.11 122.11 1xw5 h GLN 93 Ca 0.19 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1xw5 h GLN 93 Cb 0.20 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1xw5 h GLN 93 CO -0.02 0.64 -0.01 0.82 -0.67 0.00 0.00 178.83 179.60 1xw5 h ILE 94 N 0.68 1.26 -0.83 2.54 2.04 -0.97 -0.79 117.51 121.44 1xw5 h ILE 94 Ca 0.15 -0.93 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 1xw5 h ILE 94 Cb 0.27 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 1xw5 h ILE 94 CO -0.00 0.29 0.39 0.03 0.00 0.00 0.00 178.15 178.85 1xw5 h ARG 95 N 0.16 1.20 -0.06 2.37 3.08 -1.06 -0.66 114.38 119.42 1xw5 h ARG 95 Ca 0.06 -0.18 0.01 0.00 0.07 0.00 0.00 59.98 59.94 1xw5 h ARG 95 Cb 0.43 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1xw5 h ARG 95 CO 0.01 0.93 -0.01 1.49 -1.07 0.00 0.00 179.97 181.33 1xw5 h GLU 96 N 1.19 0.01 -0.30 0.04 4.81 -0.82 -1.03 114.58 118.48 1xw5 h GLU 96 Ca 0.28 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.47 1xw5 h GLU 96 Cb 0.13 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1xw5 h GLU 96 CO -0.03 0.01 0.03 -0.44 -0.73 0.00 0.00 179.01 177.85 1xw5 h ASP 97 N 0.01 0.49 -0.14 1.04 3.32 -0.91 -1.12 116.42 119.11 1xw5 h ASP 97 Ca 0.03 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 1xw5 h ASP 97 Cb 0.03 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1xw5 h ASP 97 CO -0.05 0.64 0.07 0.40 -1.72 0.00 0.00 179.24 178.59 1xw5 h ILE 98 N 0.31 1.11 -0.55 0.35 2.04 -1.09 -2.94 117.51 116.73 1xw5 h ILE 98 Ca 0.09 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 1xw5 h ILE 98 Cb 0.37 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1xw5 h ILE 98 CO 0.01 0.10 0.23 -0.07 0.00 0.00 0.00 178.15 178.42 1xw5 h LEU 99 N 0.12 0.75 -0.14 1.44 3.38 -1.16 0.09 115.31 119.78 1xw5 h LEU 99 Ca 0.05 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 57.91 1xw5 h LEU 99 Cb 0.09 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1xw5 h LEU 99 CO -0.01 0.71 -0.20 -0.08 0.09 0.00 0.00 178.44 178.94 1xw5 h GLU 100 N 0.75 -0.24 -0.17 1.13 4.81 -1.20 0.15 114.58 119.81 1xw5 h GLU 100 Ca 0.19 0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.26 1xw5 h GLU 100 Cb 0.18 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 1xw5 h GLU 100 CO -0.02 -0.16 -0.62 -0.91 -0.73 0.00 0.00 179.01 176.57 1xw5 h ASN 101 N -0.25 0.67 -0.17 1.04 2.35 -1.45 -2.64 115.58 115.13 1xw5 h ASN 101 Ca 0.10 -0.39 -0.02 0.00 -0.55 0.00 0.00 56.30 55.45 1xw5 h ASN 101 Cb 0.41 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1xw5 h ASN 101 CO -0.29 1.13 0.05 -0.61 -1.65 0.00 0.00 177.43 176.05 1xw5 h GLN 102 N 0.44 0.27 -0.47 0.81 5.75 -0.70 -1.93 115.11 119.27 1xw5 h GLN 102 Ca -0.01 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.41 1xw5 h GLN 102 Cb 1.19 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.68 1xw5 h GLN 102 CO 0.12 0.40 0.22 0.74 -2.65 0.00 0.00 178.83 177.66 1xw5 h PHE 103 N 0.09 0.65 -0.77 3.99 0.04 -0.74 -1.71 116.94 118.49 1xw5 h PHE 103 Ca 0.05 -0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.76 1xw5 h PHE 103 Cb 0.25 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.16 1xw5 h PHE 103 CO 0.01 0.49 0.30 1.98 -0.60 0.00 0.00 178.31 180.48 1xw5 h MET 104 N 0.66 1.15 -0.47 1.51 4.05 -1.18 0.11 114.93 120.76 1xw5 h MET 104 Ca 0.17 -0.21 -0.03 0.00 -0.28 0.00 0.00 59.70 59.35 1xw5 h MET 104 Cb 0.08 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.67 1xw5 h MET 104 CO -0.02 0.94 0.19 -0.44 0.23 0.00 0.00 176.91 177.80 1xw5 h ASP 105 N 1.12 0.64 -0.74 1.39 5.19 -0.56 -1.58 116.42 121.89 1xw5 h ASP 105 Ca 0.26 -0.17 -0.05 0.00 -0.62 0.00 0.00 57.03 56.45 1xw5 h ASP 105 Cb 0.22 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 39.53 1xw5 h ASP 105 CO -0.02 0.63 0.27 0.28 -3.12 0.00 0.00 179.24 177.29 1xw5 h SER 106 N 0.61 1.03 -0.60 6.45 0.02 -1.01 -1.40 113.55 118.65 1xw5 h SER 106 Ca 0.16 -0.19 0.03 0.00 -0.84 0.00 0.00 61.79 60.95 1xw5 h SER 106 Cb 0.19 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 1xw5 h SER 106 CO -0.01 0.94 0.37 -0.09 -1.14 0.00 0.00 176.83 176.89 1xw5 h ARG 107 N 1.07 0.70 -0.25 3.45 2.43 -0.75 -2.47 114.38 118.57 1xw5 h ARG 107 Ca 0.24 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.25 1xw5 h ARG 107 Cb 0.24 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1xw5 h ARG 107 CO -0.02 0.46 -0.37 0.52 -1.51 0.00 0.00 179.97 179.06 1xw5 h MET 108 N 0.72 0.55 -0.60 0.20 2.86 -0.99 -1.67 114.93 116.00 1xw5 h MET 108 Ca 0.24 -0.26 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1xw5 h MET 108 Cb 0.03 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 1xw5 h MET 108 CO -0.11 0.83 0.28 1.96 1.06 0.00 0.00 176.91 180.94 1xw5 h GLN 109 N 0.46 0.87 -0.26 1.72 4.20 -0.97 0.12 115.11 121.25 1xw5 h GLN 109 Ca 0.05 -0.13 -0.11 0.00 0.06 0.00 0.00 58.65 58.51 1xw5 h GLN 109 Cb 0.85 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.47 1xw5 h GLN 109 CO 0.07 0.71 -0.27 1.25 -0.67 0.00 0.00 178.83 179.91 1xw5 h LEU 110 N 0.82 0.69 -0.94 1.46 5.85 -1.34 -2.82 115.31 119.02 1xw5 h LEU 110 Ca 0.21 -0.48 -0.06 0.00 0.84 0.00 0.00 57.88 58.39 1xw5 h LEU 110 Cb 0.13 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 1xw5 h LEU 110 CO -0.02 1.03 0.11 0.00 -0.34 0.00 0.00 178.44 179.22 1xw5 h ALA 111 N 0.68 1.14 -0.76 1.25 0.00 -1.16 -0.56 119.26 119.84 1xw5 h ALA 111 Ca 0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1xw5 h ALA 111 Cb 0.84 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1xw5 h ALA 111 CO 0.07 0.58 0.42 -0.22 0.00 0.00 0.00 179.25 180.09 1xw5 h LYS 112 N 0.85 1.06 0.16 0.00 3.64 -0.74 -0.97 116.57 120.57 1xw5 h LYS 112 Ca 0.18 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1xw5 h LYS 112 Cb 0.34 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1xw5 h LYS 112 CO 0.00 0.79 -0.08 1.25 -2.27 0.00 0.00 179.45 179.14 1xw5 h LEU 113 N 1.05 -0.18 -2.43 5.20 5.85 -1.22 -2.82 115.31 120.77 1xw5 h LEU 113 Ca 0.27 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1xw5 h LEU 113 Cb 0.04 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 1xw5 h LEU 113 CO -0.04 0.16 -0.01 0.00 -0.34 0.00 0.00 178.44 178.21 1xw5 n TYR 115 N -3.14 0.00 -2.75 0.00 4.02 -0.38 0.38 117.16 115.28 1xw5 n TYR 115 Ca -0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.46 1xw5 n TYR 115 Cb 0.16 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.43 1xw5 n TYR 115 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1xw5 s ASP 116 N -1.96 7.44 0.53 7.72 2.15 -0.86 -4.69 116.67 127.00 1xw5 s ASP 116 Ca 0.22 1.73 0.22 0.00 0.43 0.00 0.00 52.55 55.15 1xw5 s ASP 116 Cb 0.17 -2.57 1.43 0.00 -0.30 0.00 0.00 42.92 41.65 1xw5 s ASP 116 CO 0.35 -0.09 2.14 -0.65 -0.17 0.00 0.00 175.17 176.74 1xw5 h PRO 117 N 5.83 0.00 -0.98 4.34 0.11 -1.92 -1.68 132.00 137.69 1xw5 h PRO 117 Ca -0.43 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.32 1xw5 h PRO 117 Cb 1.21 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.11 1xw5 h PRO 117 CO 0.72 0.06 0.46 -0.25 -0.21 0.00 0.00 178.00 178.78 1xw5 n ASP 118 N -4.11 3.60 -0.30 -2.05 8.00 -1.26 -4.67 116.55 115.77 1xw5 n ASP 118 Ca -0.03 -3.15 0.12 0.00 0.71 0.00 0.00 54.79 52.44 1xw5 n ASP 118 Cb 0.15 -0.74 0.27 0.00 -0.02 0.00 0.00 41.12 40.78 1xw5 n ASP 118 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1xw5 h PHE 119 N 0.84 0.27 -0.90 1.24 3.57 -1.53 -1.49 116.94 118.95 1xw5 h PHE 119 Ca 0.45 0.05 0.00 0.00 3.53 0.00 0.00 57.97 62.00 1xw5 h PHE 119 Cb 2.34 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 41.05 1xw5 h PHE 119 CO 1.15 -0.23 0.58 0.93 -2.23 0.00 0.00 178.31 178.51 1xw5 h GLU 120 N 0.18 1.20 -0.13 1.11 4.39 -1.87 -0.41 114.58 119.05 1xw5 h GLU 120 Ca 0.54 -0.09 -0.09 0.00 0.34 0.00 0.00 59.36 60.06 1xw5 h GLU 120 Cb 1.08 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 1xw5 h GLU 120 CO -0.68 0.82 -0.26 -0.22 -1.16 0.00 0.00 179.01 177.51 1xw5 h LYS 121 N 1.23 0.41 0.00 2.33 3.64 -1.68 -3.29 116.57 119.21 1xw5 h LYS 121 Ca 0.33 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1xw5 h LYS 121 Cb -0.10 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1xw5 h LYS 121 CO -0.07 0.86 -0.04 -0.07 -2.27 0.00 0.00 179.45 177.86 1xw5 h LEU 122 N 0.01 0.00 -0.05 5.20 4.07 -1.27 -3.36 115.31 119.91 1xw5 h LEU 122 Ca 0.01 0.00 0.03 0.00 0.08 0.00 0.00 57.88 58.00 1xw5 h LEU 122 Cb 0.85 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.55 1xw5 h LEU 122 CO 0.06 0.04 -0.14 0.50 -1.08 0.00 0.00 178.44 177.82 1xw5 h LYS 123 N 0.00 -0.21 -0.62 1.13 3.64 -1.13 -2.39 116.57 116.99 1xw5 h LYS 123 Ca -0.00 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.51 1xw5 h LYS 123 Cb 0.74 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.57 1xw5 h LYS 123 CO 0.01 -0.14 0.42 -1.35 -2.27 0.00 0.00 179.45 176.12 1xw5 h PRO 124 N -0.21 0.33 -0.14 1.90 0.11 -1.77 -0.22 132.00 132.00 1xw5 h PRO 124 Ca 0.07 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.96 1xw5 h PRO 124 Cb 0.31 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.34 1xw5 h PRO 124 CO -0.18 0.22 -0.70 0.93 -0.21 0.00 0.00 178.00 178.06 1xw5 h GLU 125 N 0.34 0.59 -0.38 1.05 5.08 -1.72 -1.58 114.58 117.97 1xw5 h GLU 125 Ca 0.29 -0.46 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 1xw5 h GLU 125 Cb 0.69 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1xw5 h GLU 125 CO -0.08 1.08 -0.03 -0.92 -1.00 0.00 0.00 179.01 178.06 1xw5 h TYR 126 N 0.42 0.76 0.00 4.33 3.20 -0.72 -1.91 116.97 123.05 1xw5 h TYR 126 Ca -0.03 -0.14 -0.05 0.00 3.14 0.00 0.00 58.73 61.65 1xw5 h TYR 126 Cb 1.29 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.36 1xw5 h TYR 126 CO 0.06 0.80 -0.26 -0.07 -1.64 0.00 0.00 178.16 177.05 1xw5 h LEU 127 N 0.50 0.00 -0.10 2.82 3.38 -1.06 -0.11 115.31 120.74 1xw5 h LEU 127 Ca 0.10 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1xw5 h LEU 127 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1xw5 h LEU 127 CO 0.03 0.26 -0.07 1.56 0.09 0.00 0.00 178.44 180.31 1xw5 h GLN 128 N 0.00 0.22 0.00 1.13 1.08 -1.03 -3.22 115.11 113.29 1xw5 h GLN 128 Ca -0.00 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1xw5 h GLN 128 Cb 0.48 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1xw5 h GLN 128 CO 0.03 0.60 0.00 0.00 -0.95 0.00 0.00 178.83 178.52 1xw5 h ALA 129 N 0.61 1.00 -0.51 3.87 0.00 -1.13 -3.37 119.26 119.74 1xw5 h ALA 129 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1xw5 h ALA 129 Cb 0.55 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1xw5 h ALA 129 CO 0.02 0.00 0.26 1.25 0.00 0.00 0.00 179.25 180.78 1xw5 h LEU 130 N 0.00 0.38 -1.26 0.00 5.85 -1.03 -2.82 115.31 116.43 1xw5 h LEU 130 Ca 0.00 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.80 1xw5 h LEU 130 Cb 0.68 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 1xw5 h LEU 130 CO 0.00 0.27 0.53 -0.65 -0.34 0.00 0.00 178.44 178.24 1xw5 h PRO 131 N 0.51 0.88 -0.43 5.25 0.11 -1.75 -1.72 132.00 134.85 1xw5 h PRO 131 Ca 0.22 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 1xw5 h PRO 131 Cb 0.12 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.01 1xw5 h PRO 131 CO -0.15 0.58 0.20 0.93 -0.21 0.00 0.00 178.00 179.36 1xw5 h GLU 132 N 0.91 0.62 0.15 1.05 4.39 -1.77 0.02 114.58 119.95 1xw5 h GLU 132 Ca 0.34 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 1xw5 h GLU 132 Cb 0.18 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1xw5 h GLU 132 CO -0.12 0.54 -0.07 1.98 -1.16 0.00 0.00 179.01 180.18 1xw5 h MET 133 N 0.55 -0.19 -0.69 2.33 4.05 -1.28 -2.85 114.93 116.85 1xw5 h MET 133 Ca 0.15 0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.58 1xw5 h MET 133 Cb 0.13 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.94 1xw5 h MET 133 CO -0.02 -0.07 0.42 -0.07 0.23 0.00 0.00 176.91 177.40 1xw5 h LEU 134 N -0.27 0.82 -0.31 3.39 4.07 -1.26 -2.80 115.31 118.96 1xw5 h LEU 134 Ca -0.02 -0.04 0.03 0.00 0.08 0.00 0.00 57.88 57.93 1xw5 h LEU 134 Cb 0.21 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.71 1xw5 h LEU 134 CO 0.03 0.63 0.12 0.50 -1.08 0.00 0.00 178.44 178.64 1xw5 h LYS 135 N 0.95 0.25 -0.53 1.13 3.64 -0.88 -0.50 116.57 120.63 1xw5 h LYS 135 Ca 0.25 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.67 1xw5 h LYS 135 Cb -0.05 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.67 1xw5 h LYS 135 CO -0.05 0.17 0.26 -0.07 -2.27 0.00 0.00 179.45 177.49 1xw5 h LEU 136 N 0.26 0.36 -0.72 5.20 3.38 -1.26 0.41 115.31 122.93 1xw5 h LEU 136 Ca 0.14 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 1xw5 h LEU 136 Cb 0.10 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1xw5 h LEU 136 CO -0.13 0.25 0.05 1.88 0.09 0.00 0.00 178.44 180.58 1xw5 h TYR 137 N 0.50 1.11 -0.26 1.13 0.05 -1.36 -1.75 116.97 116.39 1xw5 h TYR 137 Ca 0.24 -0.17 -0.00 0.00 0.05 0.00 0.00 58.73 58.85 1xw5 h TYR 137 Cb 0.17 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.60 1xw5 h TYR 137 CO -0.11 0.96 0.16 1.03 -1.05 0.00 0.00 178.16 179.14 1xw5 h SER 138 N 0.96 0.31 -0.75 3.88 0.87 -0.36 -1.48 113.55 116.99 1xw5 h SER 138 Ca 0.18 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 1xw5 h SER 138 Cb 0.48 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.33 1xw5 h SER 138 CO 0.02 0.27 0.39 1.56 -0.53 0.00 0.00 176.83 178.54 1xw5 h GLN 139 N 0.33 1.06 -0.41 2.24 4.20 -0.84 -2.25 115.11 119.44 1xw5 h GLN 139 Ca 0.09 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 1xw5 h GLN 139 Cb 0.02 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 1xw5 h GLN 139 CO -0.02 0.80 0.11 0.35 -0.67 0.00 0.00 178.83 179.40 1xw5 h PHE 140 N 1.04 0.68 -0.38 2.96 3.57 -1.14 -3.19 116.94 120.47 1xw5 h PHE 140 Ca 0.26 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1xw5 h PHE 140 Cb 0.07 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 1xw5 h PHE 140 CO 0.00 0.64 0.21 1.25 -2.23 0.00 0.00 178.31 178.19 1xw5 h LEU 141 N 0.52 0.47 0.00 0.59 5.85 -1.07 -3.48 115.31 118.20 1xw5 h LEU 141 Ca 0.13 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1xw5 h LEU 141 Cb 0.30 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1xw5 h LEU 141 CO 0.00 0.42 0.00 0.61 -0.34 0.00 0.00 178.44 179.13 1xw5 n GLY 142 N -1.01 2.04 1.11 3.75 0.00 -0.86 -2.81 105.19 107.41 1xw5 n GLY 142 Ca -0.00 -0.55 0.12 0.00 0.00 0.00 0.00 46.02 45.59 1xw5 n GLY 142 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xw5 n LYS 143 N 13.23 2.47 -2.21 1.61 5.02 -1.26 -4.91 118.16 132.11 1xw5 n LYS 143 Ca 0.00 -2.20 -0.38 0.00 -2.02 0.00 0.00 58.31 53.70 1xw5 n LYS 143 Cb 0.00 -1.51 -0.01 0.00 -0.02 0.00 0.00 35.03 33.49 1xw5 n LYS 143 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1xw5 s GLN 144 N -1.58 3.98 0.26 1.97 -0.21 -1.12 -4.94 119.66 118.02 1xw5 s GLN 144 Ca 0.37 1.94 0.06 0.00 0.02 0.00 0.00 55.36 57.75 1xw5 s GLN 144 Cb 0.22 -2.67 0.32 0.00 1.00 0.00 0.00 33.01 31.89 1xw5 s GLN 144 CO 0.31 -0.41 1.61 -1.00 -2.12 0.00 0.00 175.29 173.68 1xw5 h PRO 145 N 2.57 0.21 -5.74 2.91 0.13 -1.89 -3.46 132.00 126.73 1xw5 h PRO 145 Ca -0.49 -0.13 -0.54 0.00 -0.87 0.00 0.00 66.00 63.97 1xw5 h PRO 145 Cb 1.24 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.25 1xw5 h PRO 145 CO 0.62 0.71 -0.70 -1.58 -0.23 0.00 0.00 178.00 176.82 1xw5 s TRP 146 N -3.86 2.07 0.52 1.56 0.52 -0.83 -4.88 118.94 114.04 1xw5 s TRP 146 Ca -0.04 -0.57 0.26 0.00 0.02 0.00 0.00 56.10 55.78 1xw5 s TRP 146 Cb 0.12 -1.10 1.58 0.00 -1.15 0.00 0.00 33.47 32.93 1xw5 s TRP 146 CO 0.79 0.44 2.16 0.74 0.02 0.00 0.00 176.95 181.10 1xw5 h PHE 147 N 2.27 0.00 -0.02 -1.98 0.04 -1.88 -2.45 116.94 112.91 1xw5 h PHE 147 Ca -0.40 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.37 1xw5 h PHE 147 Cb 1.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.39 1xw5 h PHE 147 CO 0.73 0.06 -0.18 1.28 -0.60 0.00 0.00 178.31 179.59 1xw5 n LEU 148 N -3.88 2.45 0.00 1.54 4.77 -1.26 -4.91 117.00 115.70 1xw5 n LEU 148 Ca -0.03 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 1xw5 n LEU 148 Cb 0.15 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1xw5 n LEU 148 CO 0.30 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 1xw5 n GLY 149 N 1.28 0.50 0.21 -0.72 0.00 -0.92 -4.82 105.19 100.72 1xw5 n GLY 149 Ca 0.11 -1.07 0.12 0.00 0.00 0.00 0.00 46.02 45.18 1xw5 n GLY 149 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xw5 h ASP 150 N 0.00 0.00 -3.37 1.61 3.45 -1.97 -2.22 116.42 113.92 1xw5 h ASP 150 Ca 0.00 -0.00 -0.67 0.00 0.43 0.00 0.00 57.03 56.79 1xw5 h ASP 150 Cb 0.00 0.00 -0.16 0.00 -0.56 0.00 0.00 39.33 38.61 1xw5 h ASP 150 CO 0.00 0.00 -0.64 -0.75 -1.57 0.00 0.00 179.24 176.28 1xw5 s LYS 151 N -3.21 3.07 0.34 3.56 2.20 -1.26 -4.83 119.74 119.60 1xw5 s LYS 151 Ca 0.07 -0.44 -0.27 0.00 -0.36 0.00 0.00 55.97 54.97 1xw5 s LYS 151 Cb 0.05 -2.79 -0.09 0.00 -1.51 0.00 0.00 37.83 33.49 1xw5 s LYS 151 CO 0.67 0.63 1.05 -1.50 -0.36 0.00 0.00 175.35 175.84 1xw5 s ILE 152 N -0.68 3.69 0.29 5.43 2.07 -1.26 -4.50 121.20 126.24 1xw5 s ILE 152 Ca 0.11 1.47 0.04 0.00 -1.41 0.00 0.00 60.65 60.86 1xw5 s ILE 152 Cb -0.12 -3.85 -0.03 0.00 0.13 0.00 0.00 42.46 38.60 1xw5 s ILE 152 CO 0.02 0.18 0.25 0.42 -1.91 0.00 0.00 174.94 173.90 1xw5 s THR 153 N -1.44 0.00 0.33 4.00 -4.23 -1.26 -4.75 115.64 108.29 1xw5 s THR 153 Ca 0.51 -1.97 0.06 0.00 -1.18 0.00 0.00 61.69 59.11 1xw5 s THR 153 Cb -0.26 -2.50 0.31 0.00 1.34 0.00 0.00 72.50 71.38 1xw5 s THR 153 CO 0.33 0.00 1.86 2.19 -0.54 0.00 0.00 174.62 178.46 1xw5 h PHE 154 N 2.28 0.94 -0.06 3.99 -0.00 -1.20 -1.67 116.94 121.22 1xw5 h PHE 154 Ca -0.28 0.03 0.02 0.00 -0.00 0.00 0.00 57.97 57.73 1xw5 h PHE 154 Cb 1.24 -0.30 -0.00 0.00 -0.00 0.00 0.00 35.95 36.89 1xw5 h PHE 154 CO 1.28 0.37 0.07 -0.39 -0.00 0.00 0.00 178.31 179.64 1xw5 h VAL 155 N 0.82 0.49 -0.01 0.88 -1.51 -1.94 -0.25 116.25 114.74 1xw5 h VAL 155 Ca 0.46 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 65.86 1xw5 h VAL 155 Cb 0.59 0.94 -0.01 0.00 -2.13 0.00 0.00 31.29 30.69 1xw5 h VAL 155 CO -0.22 0.00 -0.29 0.44 -1.23 0.00 0.00 177.57 176.27 1xw5 h ASP 156 N 0.00 0.01 0.05 4.19 3.32 -1.71 0.20 116.42 122.47 1xw5 h ASP 156 Ca 0.03 -0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.84 1xw5 h ASP 156 Cb 0.17 -0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.72 1xw5 h ASP 156 CO -0.00 0.31 -0.91 -0.26 -1.72 0.00 0.00 179.24 176.65 1xw5 h PHE 157 N 0.01 0.92 -0.19 4.55 -1.00 -1.15 -1.29 116.94 118.79 1xw5 h PHE 157 Ca -0.00 -0.46 -0.03 0.00 2.81 0.00 0.00 57.97 60.29 1xw5 h PHE 157 Cb 0.53 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.96 1xw5 h PHE 157 CO 0.00 1.29 0.01 0.82 -1.61 0.00 0.00 178.31 178.82 1xw5 h ILE 158 N 0.40 1.25 -0.31 -0.55 2.04 -1.24 -2.74 117.51 116.35 1xw5 h ILE 158 Ca -0.09 -0.83 0.05 0.00 1.00 0.00 0.00 64.86 65.00 1xw5 h ILE 158 Cb 1.55 1.42 -0.05 0.00 -0.74 0.00 0.00 36.82 39.00 1xw5 h ILE 158 CO 0.18 0.25 -0.01 0.00 0.00 0.00 0.00 178.15 178.57 1xw5 h ALA 159 N 0.80 0.27 -0.54 1.87 0.00 -0.61 -1.82 119.26 119.22 1xw5 h ALA 159 Ca 0.06 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1xw5 h ALA 159 Cb 0.37 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1xw5 h ALA 159 CO 0.01 -0.41 0.30 -0.92 0.00 0.00 0.00 179.25 178.22 1xw5 h TYR 160 N 0.08 0.55 0.33 0.00 3.20 -1.22 0.19 116.97 120.11 1xw5 h TYR 160 Ca 0.15 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1xw5 h TYR 160 Cb 0.20 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1xw5 h TYR 160 CO -0.23 0.29 -0.24 0.22 -1.64 0.00 0.00 178.16 176.56 1xw5 h ASP 161 N 0.58 -0.60 -0.32 -2.11 3.58 -1.15 0.15 116.42 116.54 1xw5 h ASP 161 Ca 0.23 0.04 -0.14 0.00 0.42 0.00 0.00 57.03 57.58 1xw5 h ASP 161 Cb 0.10 0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 1xw5 h ASP 161 CO -0.14 -0.37 -0.33 -0.37 -2.88 0.00 0.00 179.24 175.16 1xw5 h VAL 162 N -0.56 1.28 0.26 2.25 -1.51 -1.21 -1.52 116.25 115.23 1xw5 h VAL 162 Ca -0.03 -1.49 -0.01 0.00 -1.23 0.00 0.00 66.70 63.93 1xw5 h VAL 162 Cb 0.48 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 30.98 1xw5 h VAL 162 CO 0.01 0.50 -0.13 -0.07 -1.23 0.00 0.00 177.57 176.65 1xw5 h LEU 163 N 0.71 -0.30 -1.45 4.19 3.38 -0.93 -2.76 115.31 118.15 1xw5 h LEU 163 Ca 0.07 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1xw5 h LEU 163 Cb 0.89 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1xw5 h LEU 163 CO 0.08 0.02 0.26 -0.08 0.09 0.00 0.00 178.44 178.82 1xw5 h GLU 164 N -0.64 0.63 0.00 1.13 4.22 -0.74 -2.00 114.58 117.18 1xw5 h GLU 164 Ca -0.04 -0.06 -0.06 0.00 0.08 0.00 0.00 59.36 59.28 1xw5 h GLU 164 Cb 0.45 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1xw5 h GLU 164 CO 0.06 0.46 -0.31 0.07 -2.18 0.00 0.00 179.01 177.11 1xw5 h ARG 165 N 0.64 0.00 -0.00 1.92 0.11 -1.25 -0.83 114.38 114.97 1xw5 h ARG 165 Ca 0.17 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 60.11 1xw5 h ARG 165 Cb 0.00 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.06 1xw5 h ARG 165 CO -0.03 0.31 -0.66 -0.91 0.10 0.00 0.00 179.97 178.77 1xw5 h ASN 166 N 0.00 0.03 -0.14 0.08 4.21 -1.08 -1.62 115.58 117.06 1xw5 h ASN 166 Ca -0.00 -0.02 -0.13 0.00 1.21 0.00 0.00 56.30 57.36 1xw5 h ASN 166 Cb 0.81 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 38.00 1xw5 h ASN 166 CO 0.04 0.68 -0.36 -0.61 -1.29 0.00 0.00 177.43 175.89 1xw5 h GLN 167 N 0.01 0.66 -0.29 0.81 4.15 -0.81 0.51 115.11 120.14 1xw5 h GLN 167 Ca -0.01 -0.32 -0.12 0.00 0.77 0.00 0.00 58.65 58.97 1xw5 h GLN 167 Cb 1.17 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.85 1xw5 h GLN 167 CO 0.09 0.92 -0.32 -0.39 -1.93 0.00 0.00 178.83 177.20 1xw5 h VAL 168 N 0.55 1.28 -0.26 2.39 -1.51 -0.93 -0.36 116.25 117.41 1xw5 h VAL 168 Ca 0.05 -1.44 -0.04 0.00 -1.23 0.00 0.00 66.70 64.04 1xw5 h VAL 168 Cb 0.88 1.41 -0.01 0.00 -2.13 0.00 0.00 31.29 31.43 1xw5 h VAL 168 CO 0.08 0.46 0.01 0.15 -1.23 0.00 0.00 177.57 177.04 1xw5 h PHE 169 N 0.53 0.50 -2.80 5.19 3.57 -0.67 -3.40 116.94 119.86 1xw5 h PHE 169 Ca 0.06 -0.08 -0.53 0.00 3.53 0.00 0.00 57.97 60.95 1xw5 h PHE 169 Cb 0.81 -0.13 -0.40 0.00 2.79 0.00 0.00 35.95 39.02 1xw5 h PHE 169 CO 0.03 0.61 -0.78 -2.00 -2.23 0.00 0.00 178.31 173.95 1xw5 s GLU 170 N -5.01 0.20 0.38 1.11 2.56 0.17 -5.04 118.70 113.07 1xw5 s GLU 170 Ca -0.14 -0.54 0.19 0.00 0.00 0.00 0.00 54.97 54.48 1xw5 s GLU 170 Cb 0.08 -1.19 1.14 0.00 2.00 0.00 0.00 34.13 36.15 1xw5 s GLU 170 CO 0.75 -1.01 1.70 -1.35 -0.56 0.00 0.00 175.26 174.79 1xw5 h PRO 171 N 8.40 0.32 -0.01 4.30 0.11 -1.28 -1.84 132.00 142.01 1xw5 h PRO 171 Ca -0.20 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1xw5 h PRO 171 Cb 1.01 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1xw5 h PRO 171 CO 0.44 0.21 -0.21 -1.13 -0.21 0.00 0.00 178.00 177.11 1xw5 n SER 172 N -4.80 0.73 -0.14 -2.05 3.41 -1.26 -4.48 113.62 105.03 1xw5 n SER 172 Ca 0.30 -0.67 0.23 0.00 -0.26 0.00 0.00 58.87 58.47 1xw5 n SER 172 Cb 1.01 0.04 0.64 0.00 -0.26 0.00 0.00 64.21 65.64 1xw5 n SER 172 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xw5 n LEU 174 N -4.38 0.94 -0.23 0.00 4.32 -1.26 -4.54 117.00 111.85 1xw5 n LEU 174 Ca 0.16 -0.22 0.01 0.00 -0.02 0.00 0.00 56.01 55.94 1xw5 n LEU 174 Cb 0.75 -0.14 0.09 0.00 -1.62 0.00 0.00 43.42 42.50 1xw5 n LEU 174 CO 0.36 0.18 0.76 0.44 -1.22 0.00 0.00 177.39 177.90 1xw5 h ASP 175 N 1.06 -0.54 0.45 -1.43 5.19 -1.64 -1.23 116.42 118.28 1xw5 h ASP 175 Ca 0.00 0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 1xw5 h ASP 175 Cb 0.49 0.39 0.00 0.00 0.18 0.00 0.00 39.33 40.39 1xw5 h ASP 175 CO 0.00 -0.20 0.00 0.00 -3.12 0.00 0.00 179.24 175.92 1xw5 n ALA 176 N -3.05 1.80 -3.88 3.45 0.00 -1.26 -4.33 120.51 113.23 1xw5 n ALA 176 Ca 0.10 -0.06 -0.29 0.00 0.00 0.00 0.00 53.44 53.18 1xw5 n ALA 176 Cb 0.37 -1.26 -0.12 0.00 0.00 0.00 0.00 19.45 18.45 1xw5 n ALA 176 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1xw5 s PHE 177 N -2.82 3.55 0.35 0.00 0.08 -0.46 -4.96 117.98 113.71 1xw5 s PHE 177 Ca 0.11 -3.28 0.13 0.00 0.12 0.00 0.00 56.93 54.01 1xw5 s PHE 177 Cb 0.11 -2.79 0.98 0.00 -0.57 0.00 0.00 43.02 40.74 1xw5 s PHE 177 CO 0.27 -0.60 1.73 -1.35 -0.10 0.00 0.00 175.22 175.17 1xw5 h PRO 178 N 5.66 0.48 -0.18 0.24 0.11 -1.77 -1.18 132.00 135.35 1xw5 h PRO 178 Ca 0.11 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.08 1xw5 h PRO 178 Cb 0.78 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.77 1xw5 h PRO 178 CO 0.73 0.32 -0.38 -2.95 -0.21 0.00 0.00 178.00 175.51 1xw5 h ASN 179 N 0.50 0.42 0.04 -2.05 -0.00 -1.93 -1.12 115.58 111.44 1xw5 h ASN 179 Ca 0.64 -0.17 -0.19 0.00 -0.00 0.00 0.00 56.30 56.58 1xw5 h ASN 179 Cb 1.38 -0.12 -0.00 0.00 -0.00 0.00 0.00 38.32 39.58 1xw5 h ASN 179 CO -0.43 0.76 -0.68 -0.07 -0.00 0.00 0.00 177.43 177.01 1xw5 h LEU 180 N 0.34 0.69 -0.35 6.14 3.38 -1.58 -0.72 115.31 123.20 1xw5 h LEU 180 Ca 0.03 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.54 1xw5 h LEU 180 Cb 0.82 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1xw5 h LEU 180 CO 0.07 1.17 0.05 0.11 0.09 0.00 0.00 178.44 179.93 1xw5 h LYS 181 N 0.42 0.59 -0.30 1.13 1.57 -1.33 -1.73 116.57 116.93 1xw5 h LYS 181 Ca -0.02 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.53 1xw5 h LYS 181 Cb 1.26 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.49 1xw5 h LYS 181 CO 0.13 0.67 -0.08 -0.44 -0.57 0.00 0.00 179.45 179.16 1xw5 h ASP 182 N 0.42 0.47 0.01 0.86 3.32 -1.10 -1.85 116.42 118.55 1xw5 h ASP 182 Ca 0.11 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xw5 h ASP 182 Cb 0.37 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1xw5 h ASP 182 CO 0.01 0.60 -0.00 0.15 -1.72 0.00 0.00 179.24 178.28 1xw5 h PHE 183 N 0.47 -0.01 -0.43 4.55 3.57 -0.88 0.56 116.94 124.77 1xw5 h PHE 183 Ca 0.09 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.66 1xw5 h PHE 183 Cb 0.43 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.12 1xw5 h PHE 183 CO 0.01 0.08 0.10 0.82 -2.23 0.00 0.00 178.31 177.10 1xw5 h ILE 184 N -0.10 0.79 -0.43 1.41 1.08 -1.07 -0.01 117.51 119.18 1xw5 h ILE 184 Ca -0.00 -0.08 -0.01 0.00 -0.39 0.00 0.00 64.86 64.38 1xw5 h ILE 184 Cb 0.10 0.53 -0.02 0.00 -3.07 0.00 0.00 36.82 34.36 1xw5 h ILE 184 CO 0.00 0.04 0.22 0.28 -0.69 0.00 0.00 178.15 178.01 1xw5 h SER 185 N 0.24 0.55 -0.14 1.72 0.02 -1.22 -1.96 113.55 112.75 1xw5 h SER 185 Ca 0.21 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1xw5 h SER 185 Cb 0.25 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1xw5 h SER 185 CO -0.26 0.50 0.09 -0.09 -1.14 0.00 0.00 176.83 175.93 1xw5 h ARG 186 N 0.55 0.19 -0.03 3.45 2.43 -0.51 -1.67 114.38 118.79 1xw5 h ARG 186 Ca 0.15 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1xw5 h ARG 186 Cb 0.08 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1xw5 h ARG 186 CO -0.02 0.13 0.01 0.35 -1.51 0.00 0.00 179.97 178.93 1xw5 h PHE 187 N 0.19 0.04 0.00 2.20 3.04 -0.90 -2.68 116.94 118.82 1xw5 h PHE 187 Ca 0.05 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.00 1xw5 h PHE 187 Cb -0.02 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.48 1xw5 h PHE 187 CO -0.07 0.16 0.00 0.39 -2.02 0.00 0.00 178.31 176.77 1xw5 n GLU 188 N -5.00 0.18 0.02 1.11 1.02 -0.75 -2.21 120.64 115.02 1xw5 n GLU 188 Ca -0.07 0.50 0.11 0.00 -0.02 0.00 0.00 57.16 57.68 1xw5 n GLU 188 Cb 0.09 -1.91 0.11 0.00 -0.02 0.00 0.00 31.44 29.71 1xw5 n GLU 188 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xw5 n GLY 189 N -0.43 -1.22 3.73 0.62 0.00 -0.63 -3.24 105.19 104.02 1xw5 n GLY 189 Ca 0.01 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 1xw5 n GLY 189 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xw5 n LEU 190 N -1.74 4.11 -0.26 0.99 4.77 -0.94 -4.70 117.00 119.24 1xw5 n LEU 190 Ca 0.04 1.14 -0.07 0.00 -0.03 0.00 0.00 56.01 57.09 1xw5 n LEU 190 Cb 0.38 -1.56 -0.06 0.00 -2.33 0.00 0.00 43.42 39.85 1xw5 n LEU 190 CO 0.38 0.03 0.40 -0.62 -1.33 0.00 0.00 177.39 176.26 1xw5 n GLU 191 N 2.22 -0.27 -0.08 3.23 -0.58 -1.26 -0.19 120.64 123.71 1xw5 n GLU 191 Ca 0.09 1.15 -0.02 0.00 -0.42 0.00 0.00 57.16 57.96 1xw5 n GLU 191 Cb 0.36 -1.69 0.22 0.00 -0.57 0.00 0.00 31.44 29.76 1xw5 n GLU 191 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1xw5 h LYS 192 N 0.00 0.70 -0.19 3.49 1.79 -1.90 -2.53 116.57 117.93 1xw5 h LYS 192 Ca 0.10 -0.16 -0.18 0.00 -2.18 0.00 0.00 60.65 58.23 1xw5 h LYS 192 Cb 0.25 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 1xw5 h LYS 192 CO -0.58 0.69 -0.57 0.82 -1.08 0.00 0.00 179.45 178.73 1xw5 h ILE 193 N 0.67 1.31 -0.24 1.86 1.08 -1.52 -1.83 117.51 118.84 1xw5 h ILE 193 Ca 0.14 -1.79 -0.00 0.00 -0.39 0.00 0.00 64.86 62.82 1xw5 h ILE 193 Cb 0.35 1.90 -0.01 0.00 -3.07 0.00 0.00 36.82 35.99 1xw5 h ILE 193 CO 0.01 0.56 0.14 -1.28 -0.69 0.00 0.00 178.15 176.89 1xw5 h SER 194 N 0.43 0.29 -0.73 1.72 0.87 -0.53 -1.08 113.55 114.53 1xw5 h SER 194 Ca -0.02 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.46 1xw5 h SER 194 Cb 1.19 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 63.04 1xw5 h SER 194 CO 0.12 0.27 0.36 0.00 -0.53 0.00 0.00 176.83 177.05 1xw5 h ALA 195 N 1.04 0.94 -0.64 6.23 0.00 -1.48 -2.77 119.26 122.57 1xw5 h ALA 195 Ca 0.09 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1xw5 h ALA 195 Cb 0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1xw5 h ALA 195 CO -0.02 0.49 0.12 -0.92 0.00 0.00 0.00 179.25 178.93 1xw5 h TYR 196 N 1.02 1.12 0.00 0.00 3.20 -1.11 -2.59 116.97 118.61 1xw5 h TYR 196 Ca 0.25 -0.15 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 1xw5 h TYR 196 Cb 0.10 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.06 1xw5 h TYR 196 CO 0.01 0.94 -0.00 0.52 -1.64 0.00 0.00 178.16 177.99 1xw5 h MET 197 N 0.98 0.00 0.00 1.82 2.86 -0.97 -2.14 114.93 117.48 1xw5 h MET 197 Ca 0.20 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1xw5 h MET 197 Cb 0.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1xw5 h MET 197 CO 0.01 0.00 -0.68 1.63 1.06 0.00 0.00 176.91 178.93 1xw5 n LYS 198 N -3.09 0.13 -2.08 1.72 5.02 -1.00 -4.92 118.16 113.94 1xw5 n LYS 198 Ca -0.01 0.02 -0.28 0.00 -2.02 0.00 0.00 58.31 56.02 1xw5 n LYS 198 Cb 0.21 -1.56 0.07 0.00 -0.02 0.00 0.00 35.03 33.72 1xw5 n LYS 198 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1xw5 s SER 199 N -3.47 4.89 0.40 4.39 1.04 -0.80 -4.99 113.70 115.16 1xw5 s SER 199 Ca 0.08 0.69 0.22 0.00 0.48 0.00 0.00 55.95 57.42 1xw5 s SER 199 Cb 0.16 -1.35 0.64 0.00 0.10 0.00 0.00 66.02 65.56 1xw5 s SER 199 CO 0.74 -1.60 1.70 0.77 0.98 0.00 0.00 173.24 175.83 1xw5 h SER 200 N -0.71 0.00 1.11 7.02 4.64 -1.93 -3.21 113.55 120.46 1xw5 h SER 200 Ca -0.45 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.83 1xw5 h SER 200 Cb 1.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 1xw5 h SER 200 CO 0.63 0.26 -0.21 0.03 -0.87 0.00 0.00 176.83 176.67 1xw5 h ARG 201 N 0.00 0.00 -6.41 4.77 3.08 -1.94 -3.45 114.38 110.42 1xw5 h ARG 201 Ca -0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 1xw5 h ARG 201 Cb 0.94 0.00 0.05 0.00 0.08 0.00 0.00 29.97 31.04 1xw5 h ARG 201 CO 0.03 0.21 0.81 0.34 -1.07 0.00 0.00 179.97 180.29 1xw5 n PHE 202 N -3.30 2.16 -3.67 3.04 7.35 -1.22 -4.95 117.46 116.87 1xw5 n PHE 202 Ca 0.01 0.28 -0.27 0.00 -0.76 0.00 0.00 57.45 56.71 1xw5 n PHE 202 Cb 0.46 -2.53 -0.11 0.00 0.35 0.00 0.00 39.48 37.65 1xw5 n PHE 202 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1xw5 n LEU 203 N 3.97 1.88 0.04 -2.13 7.94 -1.26 -4.91 117.00 122.53 1xw5 n LEU 203 Ca 0.19 -4.95 0.13 0.00 -1.11 0.00 0.00 56.01 50.26 1xw5 n LEU 203 Cb 0.27 -0.29 0.35 0.00 0.53 0.00 0.00 43.42 44.28 1xw5 n LEU 203 CO 0.66 1.83 0.64 -0.81 -1.11 0.00 0.00 177.39 178.60 1xw5 n PRO 204 N 2.11 0.14 -3.83 1.96 -0.04 -1.26 -4.19 135.00 129.89 1xw5 n PRO 204 Ca 0.24 0.07 -0.12 0.00 -0.04 0.00 0.00 63.50 63.65 1xw5 n PRO 204 Cb 0.40 -1.62 -0.10 0.00 -0.04 0.00 0.00 33.50 32.15 1xw5 n PRO 204 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1xw5 s ARG 205 N -3.07 0.54 0.59 0.54 0.52 -1.26 -4.23 118.95 112.57 1xw5 s ARG 205 Ca 0.10 -0.31 -0.17 0.00 -0.52 0.00 0.00 55.73 54.84 1xw5 s ARG 205 Cb 0.16 0.23 -0.03 0.00 0.52 0.00 0.00 34.95 35.82 1xw5 s ARG 205 CO 0.64 -0.13 1.09 -1.25 0.02 0.00 0.00 175.30 175.66 1xw5 s PRO 206 N -1.31 3.21 0.03 3.54 0.04 -1.26 -4.68 135.00 134.57 1xw5 s PRO 206 Ca -0.14 1.37 -0.23 0.00 0.04 0.00 0.00 61.00 62.04 1xw5 s PRO 206 Cb -0.07 -2.01 -0.16 0.00 0.04 0.00 0.00 34.50 32.31 1xw5 s PRO 206 CO 0.02 -0.92 1.43 0.28 0.04 0.00 0.00 177.00 177.86 1xw5 h VAL 207 N 0.60 1.27 -4.65 -0.36 2.07 -1.69 -0.21 116.25 113.28 1xw5 h VAL 207 Ca -0.48 -0.86 -0.30 0.00 0.82 0.00 0.00 66.70 65.88 1xw5 h VAL 207 Cb 1.24 1.70 -0.04 0.00 -1.52 0.00 0.00 31.29 32.67 1xw5 h VAL 207 CO 0.56 0.24 -0.19 0.49 0.02 0.00 0.00 177.57 178.70 1xw5 n PHE 208 N -4.83 -0.12 -1.63 1.57 3.72 -0.18 -1.35 117.46 114.65 1xw5 n PHE 208 Ca -0.07 -1.15 -0.29 0.00 -0.05 0.00 0.00 57.45 55.90 1xw5 n PHE 208 Cb 0.21 -0.18 0.12 0.00 -0.94 0.00 0.00 39.48 38.69 1xw5 n PHE 208 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1xw5 s THR 209 N -1.62 2.21 0.10 4.37 -4.23 -1.26 -4.63 115.64 110.58 1xw5 s THR 209 Ca 0.06 0.07 0.31 0.00 -1.18 0.00 0.00 61.69 60.95 1xw5 s THR 209 Cb -0.00 -2.88 0.31 0.00 1.34 0.00 0.00 72.50 71.27 1xw5 s THR 209 CO 0.04 -0.09 1.94 0.11 -0.54 0.00 0.00 174.62 176.08 1xw5 h LYS 210 N -1.32 0.00 0.00 3.99 1.57 -1.92 -2.01 116.57 116.89 1xw5 h LYS 210 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1xw5 h LYS 210 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 1xw5 h LYS 210 CO 0.62 0.00 0.00 0.52 -0.57 0.00 0.00 179.45 180.02 1xw5 h MET 211 N 0.00 0.00 -7.16 3.15 2.86 -1.91 -3.46 114.93 108.40 1xw5 h MET 211 Ca 0.00 0.00 -0.51 0.00 -2.06 0.00 0.00 59.70 57.13 1xw5 h MET 211 Cb 0.07 0.00 0.10 0.00 0.06 0.00 0.00 31.60 31.83 1xw5 h MET 211 CO 0.00 0.00 0.40 0.00 1.06 0.00 0.00 176.91 178.37 1xw5 s ALA 212 N -3.28 2.48 0.01 6.32 0.00 -0.75 -4.94 121.76 121.59 1xw5 s ALA 212 Ca 0.07 0.70 0.09 0.00 0.00 0.00 0.00 51.96 52.81 1xw5 s ALA 212 Cb 0.10 -3.36 -0.23 0.00 0.00 0.00 0.00 23.12 19.63 1xw5 s ALA 212 CO 0.53 -1.24 0.85 0.28 0.00 0.00 0.00 175.76 176.18 1xw5 h VAL 213 N 0.33 1.12 -3.98 0.00 2.07 -0.35 -3.40 116.25 112.02 1xw5 h VAL 213 Ca -0.48 -2.91 -0.56 0.00 0.82 0.00 0.00 66.70 63.58 1xw5 h VAL 213 Cb 1.26 2.58 -0.31 0.00 -1.52 0.00 0.00 31.29 33.30 1xw5 h VAL 213 CO 0.54 0.67 -0.84 0.86 0.02 0.00 0.00 177.57 178.83 1xw5 s TRP 214 N -2.63 1.66 -0.40 1.57 -0.00 -0.67 -4.74 118.94 113.72 1xw5 s TRP 214 Ca -0.04 -0.44 0.00 0.00 -0.00 0.00 0.00 56.10 55.62 1xw5 s TRP 214 Cb 0.08 -1.11 0.00 0.00 -0.00 0.00 0.00 33.47 32.44 1xw5 s TRP 214 CO 0.82 -0.14 0.00 0.41 -0.00 0.00 0.00 176.95 178.05 1xw5 n GLY 215 N 3.05 0.51 0.20 5.86 0.00 -1.26 -4.71 105.19 108.84 1xw5 n GLY 215 Ca -0.17 -0.82 0.13 0.00 0.00 0.00 0.00 46.02 45.15 1xw5 n GLY 215 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1xw5 h ASN 216 N 0.00 0.00 0.00 1.61 7.08 -1.78 -0.41 115.58 122.07 1xw5 h ASN 216 Ca -0.09 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.13 1xw5 h ASN 216 Cb 0.56 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.80 1xw5 h ASN 216 CO 0.12 0.00 0.00 2.29 -2.08 0.00 0.00 177.43 177.76