#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1w s MET 1 N 0.00 0.66 -0.02 -0.41 1.00 -1.26 -3.03 119.30 116.24 1u1w s MET 1 Ca 0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 55.69 54.77 1u1w s MET 1 Cb 0.00 0.26 0.02 0.00 0.00 0.00 0.00 34.83 35.11 1u1w s MET 1 CO 0.00 -0.17 0.04 -1.01 0.00 0.00 0.00 175.02 173.88 1u1w s HIS 2 N -3.25 -0.01 0.38 -0.03 4.02 -1.05 -4.94 115.29 110.41 1u1w s HIS 2 Ca 0.00 0.16 -0.19 0.00 1.02 0.00 0.00 55.06 56.05 1u1w s HIS 2 Cb 0.03 -0.15 -0.10 0.00 -1.02 0.00 0.00 32.58 31.33 1u1w s HIS 2 CO -0.08 -0.08 0.87 -0.80 1.02 0.00 0.00 174.74 175.67 1u1w s ASN 3 N 0.82 6.91 0.10 1.40 0.01 -1.26 -0.39 114.94 122.52 1u1w s ASN 3 Ca -0.07 1.55 -0.03 0.00 -0.71 0.00 0.00 52.86 53.60 1u1w s ASN 3 Cb -0.09 -2.48 -0.03 0.00 0.41 0.00 0.00 41.25 39.06 1u1w s ASN 3 CO -0.03 -0.28 0.07 -0.72 -1.51 0.00 0.00 177.10 174.64 1u1w s TYR 4 N -2.06 0.54 -0.01 2.20 -0.85 -0.33 -1.47 117.35 115.39 1u1w s TYR 4 Ca 0.58 -0.99 0.03 0.00 -0.52 0.00 0.00 57.07 56.16 1u1w s TYR 4 Cb -0.10 -0.32 -0.01 0.00 0.38 0.00 0.00 41.96 41.91 1u1w s TYR 4 CO 0.15 -0.49 -0.08 0.08 -1.52 0.00 0.00 175.55 173.69 1u1w s VAL 5 N -3.95 0.66 -0.36 -3.49 1.01 -0.57 -1.58 120.40 112.12 1u1w s VAL 5 Ca 0.13 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 61.59 1u1w s VAL 5 Cb 0.07 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 1u1w s VAL 5 CO -0.05 0.18 0.34 -0.63 0.00 0.00 0.00 175.10 174.93 1u1w s ILE 6 N -0.21 5.20 -0.17 2.22 -1.09 0.48 -1.16 121.20 126.47 1u1w s ILE 6 Ca 0.03 -0.15 -0.06 0.00 -2.23 0.00 0.00 60.65 58.24 1u1w s ILE 6 Cb -0.03 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 36.97 1u1w s ILE 6 CO -0.00 -0.14 0.04 -0.63 -1.23 0.00 0.00 174.94 172.98 1u1w s ILE 7 N 1.93 4.60 -0.60 2.92 -1.09 -0.50 -0.40 121.20 128.05 1u1w s ILE 7 Ca 0.10 -0.11 -0.23 0.00 -2.23 0.00 0.00 60.65 58.18 1u1w s ILE 7 Cb -0.17 -3.05 0.06 0.00 -1.58 0.00 0.00 42.46 37.72 1u1w s ILE 7 CO 0.11 0.49 0.92 -1.81 -1.23 0.00 0.00 174.94 173.42 1u1w s ASP 8 N 0.20 6.24 0.24 3.58 1.01 0.12 -0.73 116.67 127.33 1u1w s ASP 8 Ca 0.03 -0.73 -0.24 0.00 0.71 0.00 0.00 52.55 52.32 1u1w s ASP 8 Cb -0.13 -2.41 -0.09 0.00 1.01 0.00 0.00 42.92 41.30 1u1w s ASP 8 CO 0.01 -1.30 0.82 0.00 0.21 0.00 0.00 175.17 174.91 1u1w s ALA 9 N 3.87 3.36 -0.89 5.23 0.00 -0.47 -1.90 121.76 130.96 1u1w s ALA 9 Ca 0.25 0.36 -0.05 0.00 0.00 0.00 0.00 51.96 52.52 1u1w s ALA 9 Cb -0.15 -3.00 0.01 0.00 0.00 0.00 0.00 23.12 19.97 1u1w s ALA 9 CO 0.14 0.26 0.77 1.19 0.00 0.00 0.00 175.76 178.13 1u1w n PHE 10 N 0.99 -1.86 -3.59 0.00 3.72 0.13 -1.06 117.46 115.79 1u1w n PHE 10 Ca -0.02 0.67 -0.11 0.00 -0.05 0.00 0.00 57.45 57.94 1u1w n PHE 10 Cb 0.50 -3.76 -0.04 0.00 -0.94 0.00 0.00 39.48 35.24 1u1w n PHE 10 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1u1w s ALA 11 N -3.22 -1.13 -0.21 4.37 0.00 -0.86 -1.93 121.76 118.79 1u1w s ALA 11 Ca 0.33 0.19 0.11 0.00 0.00 0.00 0.00 51.96 52.59 1u1w s ALA 11 Cb -0.15 0.65 -0.22 0.00 0.00 0.00 0.00 23.12 23.40 1u1w s ALA 11 CO 0.49 -0.63 0.01 0.43 0.00 0.00 0.00 175.76 176.06 1u1w n SER 12 N -0.08 0.83 -4.40 0.00 7.64 -1.26 -2.22 113.62 114.13 1u1w n SER 12 Ca -0.17 -0.02 -0.29 0.00 1.01 0.00 0.00 58.87 59.40 1u1w n SER 12 Cb 0.63 0.37 -0.13 0.00 -1.01 0.00 0.00 64.21 64.07 1u1w n SER 12 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1u1w s VAL 13 N -2.51 2.31 0.63 0.44 -7.23 -1.26 -4.73 120.40 108.05 1u1w s VAL 13 Ca -0.19 -1.71 -0.18 0.00 -1.81 0.00 0.00 61.98 58.09 1u1w s VAL 13 Cb 0.07 -2.02 -0.02 0.00 0.56 0.00 0.00 36.38 34.98 1u1w s VAL 13 CO 0.75 0.11 1.25 -2.84 -0.31 0.00 0.00 175.10 174.06 1u1w s PRO 14 N -2.01 2.71 0.00 4.82 0.02 -1.26 -2.73 135.00 136.56 1u1w s PRO 14 Ca 0.14 1.94 0.00 0.00 0.02 0.00 0.00 61.00 63.10 1u1w s PRO 14 Cb -0.10 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.54 1u1w s PRO 14 CO 0.06 -1.44 0.00 1.28 -0.33 0.00 0.00 177.00 176.57 1u1w n LEU 15 N -1.82 0.00 -4.90 -5.54 4.77 -1.26 -5.02 117.00 103.23 1u1w n LEU 15 Ca 0.15 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.85 1u1w n LEU 15 Cb 0.49 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.57 1u1w n LEU 15 CO 0.46 0.00 0.04 -1.61 -1.33 0.00 0.00 177.39 174.95 1u1w s GLU 16 N -0.10 2.23 2.35 3.23 2.02 -1.11 -4.84 118.70 122.49 1u1w s GLU 16 Ca 0.00 -2.10 0.00 0.00 0.02 0.00 0.00 54.97 52.89 1u1w s GLU 16 Cb 0.00 -2.03 0.00 0.00 0.10 0.00 0.00 34.13 32.20 1u1w s GLU 16 CO 0.00 -0.66 0.00 0.41 0.02 0.00 0.00 175.26 175.03 1u1w n GLY 17 N -1.77 -0.41 3.04 -1.39 0.00 -0.29 -4.71 105.19 99.66 1u1w n GLY 17 Ca -0.04 -1.07 -0.31 0.00 0.00 0.00 0.00 46.02 44.59 1u1w n GLY 17 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1u1w s ASN 18 N -4.00 3.27 0.45 1.61 2.47 -0.22 -4.74 114.94 113.77 1u1w s ASN 18 Ca 0.00 -0.78 -0.23 0.00 0.42 0.00 0.00 52.86 52.26 1u1w s ASN 18 Cb 0.00 -1.32 -0.08 0.00 -1.45 0.00 0.00 41.25 38.40 1u1w s ASN 18 CO 0.00 -0.09 1.17 -2.84 -3.72 0.00 0.00 177.10 171.62 1u1w s PRO 19 N 1.36 3.82 -0.01 0.43 0.02 -1.26 -1.37 135.00 137.99 1u1w s PRO 19 Ca 0.01 1.79 0.02 0.00 0.02 0.00 0.00 61.00 62.84 1u1w s PRO 19 Cb -0.15 -2.46 -0.00 0.00 0.02 0.00 0.00 34.50 31.90 1u1w s PRO 19 CO -0.10 -0.51 -0.06 0.54 -0.33 0.00 0.00 177.00 176.55 1u1w s VAL 20 N -1.51 0.48 -0.23 3.83 0.11 0.09 -4.40 120.40 118.77 1u1w s VAL 20 Ca 0.62 -0.25 -0.14 0.00 -2.93 0.00 0.00 61.98 59.28 1u1w s VAL 20 Cb -0.29 -0.42 -0.04 0.00 -1.53 0.00 0.00 36.38 34.10 1u1w s VAL 20 CO 0.36 0.14 0.32 0.00 -3.33 0.00 0.00 175.10 172.59 1u1w s ALA 21 N -0.07 3.57 -0.24 1.54 0.00 -1.20 -1.41 121.76 123.95 1u1w s ALA 21 Ca 0.01 -0.69 -0.04 0.00 0.00 0.00 0.00 51.96 51.25 1u1w s ALA 21 Cb -0.03 -2.56 0.01 0.00 0.00 0.00 0.00 23.12 20.54 1u1w s ALA 21 CO -0.00 -0.34 -0.03 0.08 0.00 0.00 0.00 175.76 175.47 1u1w s VAL 22 N 1.38 3.32 -0.21 0.00 1.01 -0.31 -0.44 120.40 125.15 1u1w s VAL 22 Ca 0.15 -0.69 -0.08 0.00 0.00 0.00 0.00 61.98 61.36 1u1w s VAL 22 Cb -0.15 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 1u1w s VAL 22 CO 0.07 0.30 0.08 -0.36 0.00 0.00 0.00 175.10 175.19 1u1w s PHE 23 N 1.44 3.21 0.31 5.22 0.08 -0.10 -1.51 117.98 126.62 1u1w s PHE 23 Ca 0.04 -0.03 -0.05 0.00 0.12 0.00 0.00 56.93 57.01 1u1w s PHE 23 Cb -0.15 -2.16 -0.05 0.00 -0.57 0.00 0.00 43.02 40.08 1u1w s PHE 23 CO -0.03 -0.01 0.57 -0.06 -0.10 0.00 0.00 175.22 175.60 1u1w s PHE 24 N 0.86 3.48 -1.32 0.36 0.08 -0.54 -0.88 117.98 120.02 1u1w s PHE 24 Ca 0.04 0.64 -0.02 0.00 0.12 0.00 0.00 56.93 57.71 1u1w s PHE 24 Cb -0.13 -2.11 -0.00 0.00 -0.57 0.00 0.00 43.02 40.21 1u1w s PHE 24 CO 0.03 0.13 0.62 -0.25 -0.10 0.00 0.00 175.22 175.65 1u1w n ASP 25 N -1.09 -1.44 -1.07 1.36 8.00 -1.17 -4.49 116.55 116.65 1u1w n ASP 25 Ca -0.02 -0.90 0.10 0.00 0.71 0.00 0.00 54.79 54.68 1u1w n ASP 25 Cb 0.54 -3.67 0.26 0.00 -0.02 0.00 0.00 41.12 38.24 1u1w n ASP 25 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u1w n ALA 26 N -4.28 2.41 0.22 2.24 0.00 -0.39 -4.49 120.51 116.22 1u1w n ALA 26 Ca -0.28 -1.01 0.15 0.00 0.00 0.00 0.00 53.44 52.30 1u1w n ALA 26 Cb 0.67 -0.95 0.79 0.00 0.00 0.00 0.00 19.45 19.95 1u1w n ALA 26 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1u1w h ASP 27 N 3.50 0.00 0.16 0.00 3.32 -1.90 -1.46 116.42 120.05 1u1w h ASP 27 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1u1w h ASP 27 Cb 0.80 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.35 1u1w h ASP 27 CO 0.00 0.00 -0.02 -0.90 -1.72 0.00 0.00 179.24 176.60 1u1w n ASP 28 N -4.08 0.31 -4.62 6.45 5.75 -1.26 -4.74 116.55 114.36 1u1w n ASP 28 Ca 0.00 -0.85 -0.39 0.00 -0.01 0.00 0.00 54.79 53.54 1u1w n ASP 28 Cb 0.24 -0.06 -0.09 0.00 -1.03 0.00 0.00 41.12 40.18 1u1w n ASP 28 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1u1w s LEU 29 N -2.18 4.06 0.70 -2.12 1.43 -0.55 -5.07 118.68 114.94 1u1w s LEU 29 Ca 0.40 0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 53.65 1u1w s LEU 29 Cb 0.21 -2.42 0.02 0.00 0.03 0.00 0.00 46.19 44.03 1u1w s LEU 29 CO 0.40 -0.15 1.23 -2.84 0.23 0.00 0.00 176.35 175.22 1u1w s PRO 30 N 1.88 2.30 0.42 1.29 0.02 -1.26 -4.75 135.00 134.91 1u1w s PRO 30 Ca 0.15 1.85 0.14 0.00 0.02 0.00 0.00 61.00 63.16 1u1w s PRO 30 Cb -0.15 -1.84 1.01 0.00 0.02 0.00 0.00 34.50 33.53 1u1w s PRO 30 CO 0.09 -1.74 1.96 -1.00 -0.33 0.00 0.00 177.00 175.98 1u1w h PRO 31 N 0.00 0.43 -0.71 5.54 0.13 -1.97 0.37 132.00 135.79 1u1w h PRO 31 Ca -0.49 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1u1w h PRO 31 Cb 1.31 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1u1w h PRO 31 CO 0.51 0.28 0.45 0.00 -0.23 0.00 0.00 178.00 179.01 1u1w h ALA 32 N 1.67 1.45 -0.03 -0.56 0.00 -2.00 -0.63 119.26 119.16 1u1w h ALA 32 Ca 0.31 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.97 1u1w h ALA 32 Cb 0.62 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1u1w h ALA 32 CO -0.09 0.49 -0.79 1.96 0.00 0.00 0.00 179.25 180.82 1u1w h GLN 33 N 0.97 0.30 -0.52 0.00 1.08 -1.32 -2.72 115.11 112.90 1u1w h GLN 33 Ca 0.26 -0.27 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 1u1w h GLN 33 Cb -0.07 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 1u1w h GLN 33 CO -0.05 0.95 0.28 0.52 -0.95 0.00 0.00 178.83 179.58 1u1w h MET 34 N 0.19 0.73 -0.60 1.46 2.86 -0.76 -0.83 114.93 117.98 1u1w h MET 34 Ca -0.04 -0.09 0.04 0.00 -2.06 0.00 0.00 59.70 57.55 1u1w h MET 34 Cb 1.38 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 32.86 1u1w h MET 34 CO 0.13 0.58 0.35 0.37 1.06 0.00 0.00 176.91 179.40 1u1w h GLN 35 N 0.70 0.67 -0.29 1.72 5.75 -1.10 -0.22 115.11 122.35 1u1w h GLN 35 Ca 0.18 -0.04 -0.11 0.00 -0.15 0.00 0.00 58.65 58.53 1u1w h GLN 35 Cb 0.06 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.45 1u1w h GLN 35 CO -0.03 0.44 -0.29 0.00 -2.65 0.00 0.00 178.83 176.31 1u1w h ARG 36 N 0.69 0.58 -0.65 1.69 3.08 -1.24 -2.00 114.38 116.53 1u1w h ARG 36 Ca 0.25 -0.24 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 1u1w h ARG 36 Cb 0.07 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1u1w h ARG 36 CO -0.12 0.81 0.06 0.82 -1.07 0.00 0.00 179.97 180.46 1u1w h ILE 37 N 0.50 1.26 -0.79 2.04 2.04 -0.73 -0.77 117.51 121.07 1u1w h ILE 37 Ca 0.06 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 64.83 1u1w h ILE 37 Cb 0.75 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 1u1w h ILE 37 CO 0.06 0.40 0.49 0.00 0.00 0.00 0.00 178.15 179.11 1u1w h ALA 38 N 1.04 1.39 -0.38 1.87 0.00 -0.73 -1.00 119.26 121.45 1u1w h ALA 38 Ca 0.19 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 1u1w h ALA 38 Cb 0.49 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1u1w h ALA 38 CO 0.02 0.54 -0.32 -0.09 0.00 0.00 0.00 179.25 179.40 1u1w h ARG 39 N 1.07 0.85 -0.45 0.00 9.65 -1.08 -1.17 114.38 123.26 1u1w h ARG 39 Ca 0.28 -0.41 0.07 0.00 -1.10 0.00 0.00 59.98 58.83 1u1w h ARG 39 Cb -0.08 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.43 1u1w h ARG 39 CO -0.06 1.05 0.09 1.49 2.80 0.00 0.00 179.97 185.35 1u1w h GLU 40 N 0.72 0.22 -0.20 0.20 4.57 -0.52 -2.60 114.58 116.97 1u1w h GLU 40 Ca 0.07 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.11 1u1w h GLU 40 Cb 0.88 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.41 1u1w h GLU 40 CO 0.08 0.15 -0.44 0.52 -1.18 0.00 0.00 179.01 178.14 1u1w h MET 41 N 0.23 0.49 -1.00 1.92 2.86 -1.09 -3.47 114.93 114.87 1u1w h MET 41 Ca 0.22 -0.26 -0.34 0.00 -2.06 0.00 0.00 59.70 57.26 1u1w h MET 41 Cb 0.27 0.01 -0.12 0.00 0.06 0.00 0.00 31.60 31.82 1u1w h MET 41 CO -0.28 0.84 -0.32 -1.71 1.06 0.00 0.00 176.91 176.49 1u1w n ASN 42 N -4.01 -4.99 -4.93 1.22 5.15 -0.45 -5.00 115.26 102.25 1u1w n ASN 42 Ca -0.02 0.35 -0.26 0.00 -0.60 0.00 0.00 54.58 54.06 1u1w n ASN 42 Cb 0.53 -3.97 0.06 0.00 -0.53 0.00 0.00 39.78 35.87 1u1w n ASN 42 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1u1w s LEU 43 N -3.91 2.88 0.40 1.20 1.43 -1.26 -4.97 118.68 114.46 1u1w s LEU 43 Ca 0.00 0.50 0.09 0.00 -1.03 0.00 0.00 54.13 53.69 1u1w s LEU 43 Cb 0.00 -3.18 0.88 0.00 0.03 0.00 0.00 46.19 43.92 1u1w s LEU 43 CO 0.00 -1.51 2.00 0.28 0.23 0.00 0.00 176.35 177.35 1u1w h SER 44 N -0.53 0.49 -5.07 2.29 0.02 -1.94 -3.38 113.55 105.44 1u1w h SER 44 Ca -0.44 -0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.41 1u1w h SER 44 Cb 1.31 -0.11 -0.17 0.00 0.14 0.00 0.00 62.40 63.57 1u1w h SER 44 CO 0.60 0.33 -0.29 -1.61 -1.14 0.00 0.00 176.83 174.72 1u1w s GLU 45 N -5.51 0.79 0.14 3.45 8.01 -1.26 -4.20 118.70 120.11 1u1w s GLU 45 Ca -0.08 -0.57 0.10 0.00 0.01 0.00 0.00 54.97 54.42 1u1w s GLU 45 Cb 0.19 0.34 -0.04 0.00 -4.31 0.00 0.00 34.13 30.30 1u1w s GLU 45 CO 0.75 -0.25 -0.24 -1.12 0.01 0.00 0.00 175.26 174.41 1u1w s SER 46 N -2.14 3.51 0.22 -0.19 0.01 -0.17 -3.26 113.70 111.69 1u1w s SER 46 Ca -0.04 -0.71 0.11 0.00 1.31 0.00 0.00 55.95 56.62 1u1w s SER 46 Cb -0.00 -0.33 -0.05 0.00 0.21 0.00 0.00 66.02 65.85 1u1w s SER 46 CO -0.04 0.17 -0.21 0.42 0.41 0.00 0.00 173.24 173.99 1u1w s THR 47 N -1.18 2.28 -0.10 1.44 -4.23 0.41 -1.25 115.64 113.01 1u1w s THR 47 Ca 0.16 -2.18 -0.00 0.00 -1.18 0.00 0.00 61.69 58.49 1u1w s THR 47 Cb -0.10 -2.15 0.02 0.00 1.34 0.00 0.00 72.50 71.62 1u1w s THR 47 CO 0.08 -0.29 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.44 1u1w s PHE 48 N -2.15 1.33 -0.30 3.99 0.08 -0.26 -0.92 117.98 119.74 1u1w s PHE 48 Ca 0.24 -0.62 -0.15 0.00 0.12 0.00 0.00 56.93 56.51 1u1w s PHE 48 Cb -0.06 -1.14 -0.03 0.00 -0.57 0.00 0.00 43.02 41.22 1u1w s PHE 48 CO 0.11 -0.47 0.38 0.08 -0.10 0.00 0.00 175.22 175.22 1u1w s VAL 49 N 1.71 5.16 0.32 -0.44 1.01 -0.06 -1.74 120.40 126.36 1u1w s VAL 49 Ca 0.04 0.35 0.10 0.00 0.00 0.00 0.00 61.98 62.47 1u1w s VAL 49 Cb -0.13 -3.76 -0.06 0.00 0.00 0.00 0.00 36.38 32.44 1u1w s VAL 49 CO -0.07 0.04 -0.07 -0.76 0.00 0.00 0.00 175.10 174.24 1u1w s LEU 50 N 2.07 2.84 0.70 3.92 1.43 0.63 -1.26 118.68 129.01 1u1w s LEU 50 Ca 0.14 -1.04 -0.17 0.00 -1.03 0.00 0.00 54.13 52.03 1u1w s LEU 50 Cb -0.16 -1.21 0.01 0.00 0.03 0.00 0.00 46.19 44.86 1u1w s LEU 50 CO 0.11 -0.15 1.22 0.29 0.23 0.00 0.00 176.35 178.05 1u1w n LYS 51 N -0.83 0.79 -1.83 1.70 4.76 -1.26 -1.08 118.16 120.41 1u1w n LYS 51 Ca -0.05 0.33 -0.32 0.00 -2.87 0.00 0.00 58.31 55.41 1u1w n LYS 51 Cb 0.62 -2.46 0.02 0.00 -1.84 0.00 0.00 35.03 31.38 1u1w n LYS 51 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1u1w s PRO 52 N -3.54 3.23 0.00 1.97 0.04 -1.26 -3.82 135.00 131.62 1u1w s PRO 52 Ca 0.79 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.84 1u1w s PRO 52 Cb -0.35 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1u1w s PRO 52 CO 0.44 -0.87 0.08 0.54 0.04 0.00 0.00 177.00 177.23 1u1w n ARG 53 N -2.59 3.65 -2.76 4.56 5.12 -1.26 -4.89 116.66 118.49 1u1w n ARG 53 Ca 0.08 -0.08 -0.01 0.00 -1.93 0.00 0.00 57.85 55.90 1u1w n ARG 53 Cb 0.53 -0.46 0.09 0.00 -1.16 0.00 0.00 32.46 31.46 1u1w n ARG 53 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1u1w n ASN 54 N -0.54 0.14 0.00 0.55 4.13 -1.26 -5.00 115.26 113.27 1u1w n ASN 54 Ca 0.00 -2.15 0.00 0.00 1.68 0.00 0.00 54.58 54.11 1u1w n ASN 54 Cb 0.02 0.07 0.00 0.00 -1.54 0.00 0.00 39.78 38.33 1u1w n ASN 54 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1u1w n GLY 55 N -0.99 1.64 3.72 7.41 0.00 -1.26 -5.04 105.19 110.66 1u1w n GLY 55 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 1u1w n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u1w n GLY 56 N -2.00 -2.13 0.07 -0.02 0.00 -1.26 -5.01 105.19 94.84 1u1w n GLY 56 Ca 0.00 -1.61 -0.06 0.00 0.00 0.00 0.00 46.02 44.35 1u1w n GLY 56 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1u1w h ASP 57 N -2.24 0.00 -4.88 1.61 3.32 -1.25 -3.44 116.42 109.54 1u1w h ASP 57 Ca -0.42 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.67 1u1w h ASP 57 Cb 1.23 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.65 1u1w h ASP 57 CO 0.29 0.96 0.33 0.00 -1.72 0.00 0.00 179.24 179.09 1u1w s ALA 58 N -2.77 -1.67 -0.16 3.45 0.00 -1.23 -4.55 121.76 114.84 1u1w s ALA 58 Ca 0.01 0.63 -0.03 0.00 0.00 0.00 0.00 51.96 52.57 1u1w s ALA 58 Cb 0.10 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.90 1u1w s ALA 58 CO 0.81 -0.76 -0.06 -1.17 0.00 0.00 0.00 175.76 174.58 1u1w s LEU 59 N -2.67 3.05 -0.17 0.00 2.96 -0.24 -0.66 118.68 120.96 1u1w s LEU 59 Ca 0.03 -0.22 -0.02 0.00 -0.22 0.00 0.00 54.13 53.70 1u1w s LEU 59 Cb -0.01 -1.73 -0.01 0.00 0.50 0.00 0.00 46.19 44.94 1u1w s LEU 59 CO -0.10 0.14 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.35 1u1w s ILE 60 N 0.54 3.24 -0.07 6.68 -1.09 -0.02 -0.27 121.20 130.21 1u1w s ILE 60 Ca -0.05 -0.57 -0.02 0.00 -2.23 0.00 0.00 60.65 57.78 1u1w s ILE 60 Cb -0.15 -2.41 -0.04 0.00 -1.58 0.00 0.00 42.46 38.29 1u1w s ILE 60 CO 0.03 0.49 0.05 -0.13 -1.23 0.00 0.00 174.94 174.14 1u1w s ARG 61 N 0.79 3.08 -0.11 2.79 0.52 -0.71 -4.59 118.95 120.71 1u1w s ARG 61 Ca -0.03 -0.38 0.01 0.00 -0.52 0.00 0.00 55.73 54.81 1u1w s ARG 61 Cb -0.15 -2.88 0.02 0.00 0.52 0.00 0.00 34.95 32.46 1u1w s ARG 61 CO 0.01 0.70 -0.15 0.42 0.02 0.00 0.00 175.30 176.31 1u1w s ILE 62 N -1.00 1.48 -0.06 1.52 1.01 -1.26 -1.10 121.20 121.78 1u1w s ILE 62 Ca 0.16 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.21 1u1w s ILE 62 Cb -0.12 -1.36 0.01 0.00 0.01 0.00 0.00 42.46 41.00 1u1w s ILE 62 CO 0.06 0.44 -0.12 -0.36 0.00 0.00 0.00 174.94 174.95 1u1w s PHE 63 N 1.08 1.47 1.01 3.97 0.08 -0.38 -0.95 117.98 124.26 1u1w s PHE 63 Ca -0.05 -0.54 -0.16 0.00 0.12 0.00 0.00 56.93 56.30 1u1w s PHE 63 Cb -0.14 -1.07 0.21 0.00 -0.57 0.00 0.00 43.02 41.44 1u1w s PHE 63 CO -0.03 -0.27 1.24 0.95 -0.10 0.00 0.00 175.22 177.01 1u1w s THR 64 N 0.64 1.89 -0.05 0.64 -4.23 0.57 -1.00 115.64 114.11 1u1w s THR 64 Ca -0.14 0.00 0.27 0.00 -1.18 0.00 0.00 61.69 60.63 1u1w s THR 64 Cb -0.16 -2.84 0.27 0.00 1.34 0.00 0.00 72.50 71.11 1u1w s THR 64 CO 0.04 0.00 1.81 -0.65 -0.54 0.00 0.00 174.62 175.28 1u1w h PRO 65 N -1.85 0.00 0.00 3.99 0.11 -1.74 -3.30 132.00 129.21 1u1w h PRO 65 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1u1w h PRO 65 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1u1w h PRO 65 CO 0.41 0.00 -0.30 1.33 -0.21 0.00 0.00 178.00 179.23 1u1w n VAL 66 N -2.44 0.00 -3.73 3.15 0.24 -1.26 -4.21 118.33 110.07 1u1w n VAL 66 Ca -0.01 -0.16 -0.10 0.00 -2.04 0.00 0.00 64.34 62.03 1u1w n VAL 66 Cb 0.07 0.66 -0.04 0.00 -1.47 0.00 0.00 33.84 33.05 1u1w n VAL 66 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1u1w s ASN 67 N -0.91 -0.21 0.19 -1.34 4.22 -1.24 -5.05 114.94 110.59 1u1w s ASN 67 Ca 0.00 -0.48 -0.21 0.00 -2.14 0.00 0.00 52.86 50.02 1u1w s ASN 67 Cb 0.00 0.53 -0.08 0.00 1.28 0.00 0.00 41.25 42.98 1u1w s ASN 67 CO 0.00 -0.97 0.72 -0.70 -2.04 0.00 0.00 177.10 174.11 1u1w s GLU 68 N -3.86 4.34 0.08 3.55 2.12 -1.26 -0.32 118.70 123.36 1u1w s GLU 68 Ca 0.08 0.94 0.08 0.00 0.36 0.00 0.00 54.97 56.44 1u1w s GLU 68 Cb 0.00 -3.04 -0.04 0.00 0.26 0.00 0.00 34.13 31.32 1u1w s GLU 68 CO -0.05 0.48 -0.17 -0.51 -0.54 0.00 0.00 175.26 174.46 1u1w s LEU 69 N -1.62 2.72 0.18 2.70 1.43 -0.13 -4.93 118.68 119.03 1u1w s LEU 69 Ca 0.39 -0.48 0.25 0.00 -1.03 0.00 0.00 54.13 53.27 1u1w s LEU 69 Cb -0.19 -1.57 0.64 0.00 0.03 0.00 0.00 46.19 45.10 1u1w s LEU 69 CO 0.22 0.21 1.62 -0.81 0.23 0.00 0.00 176.35 177.82 1u1w n PRO 70 N 1.10 0.28 -3.56 1.29 -0.04 -1.26 -4.18 135.00 128.62 1u1w n PRO 70 Ca -0.16 0.18 -0.14 0.00 -0.04 0.00 0.00 63.50 63.34 1u1w n PRO 70 Cb 0.52 -1.77 -0.06 0.00 -0.04 0.00 0.00 33.50 32.15 1u1w n PRO 70 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1u1w s PHE 71 N -3.12 -0.57 -0.15 0.54 5.36 -1.26 -2.91 117.98 115.86 1u1w s PHE 71 Ca 0.09 1.06 -0.29 0.00 -0.96 0.00 0.00 56.93 56.83 1u1w s PHE 71 Cb 0.13 0.40 0.09 0.00 -0.34 0.00 0.00 43.02 43.30 1u1w s PHE 71 CO 0.64 -0.47 0.82 0.00 -1.46 0.00 0.00 175.22 174.75 1u1w s ALA 72 N -0.88 -1.84 -0.14 11.12 0.00 -1.26 -4.20 121.76 124.56 1u1w s ALA 72 Ca -0.06 1.60 -0.15 0.00 0.00 0.00 0.00 51.96 53.35 1u1w s ALA 72 Cb -0.01 -0.60 -0.13 0.00 0.00 0.00 0.00 23.12 22.38 1u1w s ALA 72 CO 0.05 -0.33 0.28 0.78 0.00 0.00 0.00 175.76 176.54 1u1w h GLY 73 N 3.40 0.00 1.16 0.00 0.00 -1.92 -3.10 103.07 102.60 1u1w h GLY 73 Ca -0.25 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 1u1w h GLY 73 CO 0.27 0.00 0.31 1.12 0.00 0.00 0.00 176.54 178.24 1u1w h HIS 74 N -1.00 1.09 -0.61 5.60 2.07 -1.87 -0.23 115.15 120.20 1u1w h HIS 74 Ca -0.05 -0.07 -0.08 0.00 -2.85 0.00 0.00 60.37 57.32 1u1w h HIS 74 Cb 0.63 -0.33 -0.02 0.00 2.57 0.00 0.00 27.41 30.25 1u1w h HIS 74 CO 0.08 0.82 0.07 -1.35 -3.07 0.00 0.00 177.93 174.48 1u1w h PRO 75 N 1.06 1.01 -0.14 5.12 0.11 -1.92 -1.47 132.00 135.77 1u1w h PRO 75 Ca 0.25 -0.27 -0.18 0.00 0.11 0.00 0.00 66.00 65.90 1u1w h PRO 75 Cb 0.18 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.17 1u1w h PRO 75 CO -0.02 0.95 -0.67 -0.07 -0.21 0.00 0.00 178.00 177.97 1u1w h LEU 76 N 0.95 0.64 -0.30 2.35 3.38 -1.43 0.14 115.31 121.04 1u1w h LEU 76 Ca 0.18 -0.39 0.03 0.00 0.09 0.00 0.00 57.88 57.80 1u1w h LEU 76 Cb 0.45 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1u1w h LEU 76 CO 0.02 1.14 0.10 0.25 0.09 0.00 0.00 178.44 180.03 1u1w h LEU 77 N 0.40 0.10 -0.67 1.67 5.85 -0.87 -0.13 115.31 121.66 1u1w h LEU 77 Ca -0.02 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1u1w h LEU 77 Cb 1.25 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.28 1u1w h LEU 77 CO 0.13 0.09 0.28 1.23 -0.34 0.00 0.00 178.44 179.83 1u1w h GLY 78 N 0.23 1.06 1.14 3.75 0.00 -1.20 -1.37 103.07 106.67 1u1w h GLY 78 Ca 0.14 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 1u1w h GLY 78 CO -0.15 0.53 0.38 -0.84 0.00 0.00 0.00 176.54 176.47 1u1w h THR 79 N 0.94 1.24 -0.42 4.70 2.02 -0.64 0.03 112.91 120.77 1u1w h THR 79 Ca 0.22 -0.66 -0.03 0.00 0.77 0.00 0.00 66.41 66.71 1u1w h THR 79 Cb 0.18 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1u1w h THR 79 CO -0.02 0.28 0.14 0.00 0.37 0.00 0.00 175.52 176.29 1u1w h ALA 80 N 1.32 0.55 -0.50 6.16 0.00 -0.77 0.12 119.26 126.14 1u1w h ALA 80 Ca 0.27 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1u1w h ALA 80 Cb 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1u1w h ALA 80 CO -0.04 0.19 0.18 0.82 0.00 0.00 0.00 179.25 180.40 1u1w h ILE 81 N 0.54 1.22 -0.33 0.00 2.04 -1.02 0.11 117.51 120.07 1u1w h ILE 81 Ca 0.14 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 1u1w h ILE 81 Cb 0.25 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1u1w h ILE 81 CO -0.01 0.26 0.07 0.00 0.00 0.00 0.00 178.15 178.48 1u1w h ALA 82 N 1.03 0.43 0.00 1.87 0.00 -0.73 -2.83 119.26 119.03 1u1w h ALA 82 Ca 0.16 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1u1w h ALA 82 Cb 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1u1w h ALA 82 CO -0.01 0.10 -0.31 -0.07 0.00 0.00 0.00 179.25 178.96 1u1w h LEU 83 N 0.37 0.00 -2.23 0.00 3.38 -0.87 -2.71 115.31 113.25 1u1w h LEU 83 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1u1w h LEU 83 Cb 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1u1w h LEU 83 CO 0.00 0.31 -0.06 1.23 0.09 0.00 0.00 178.44 180.02 1u1w h GLY 84 N 1.31 0.00 2.00 0.83 0.00 -0.54 0.46 103.07 107.13 1u1w h GLY 84 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1u1w h GLY 84 CO 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.56 1u1w h ALA 85 N 1.94 1.07 -0.11 3.60 0.00 -1.39 -3.05 119.26 121.32 1u1w h ALA 85 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1u1w h ALA 85 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1u1w h ALA 85 CO 0.01 0.02 0.00 0.72 0.00 0.00 0.00 179.25 180.00 1u1w n HIS 86 N -3.20 0.13 -3.99 0.00 -0.00 0.15 -4.97 115.22 103.34 1u1w n HIS 86 Ca -0.02 -0.08 -0.08 0.00 -0.00 0.00 0.00 57.72 57.54 1u1w n HIS 86 Cb 0.16 -0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.06 1u1w n HIS 86 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 1u1w s THR 87 N -1.47 0.18 -1.55 1.59 -1.32 -1.15 -5.03 115.64 106.89 1u1w s THR 87 Ca 0.25 -1.45 0.24 0.00 -1.21 0.00 0.00 61.69 59.52 1u1w s THR 87 Cb 0.16 -1.28 0.05 0.00 -1.51 0.00 0.00 72.50 69.93 1u1w s THR 87 CO 0.24 -0.80 1.29 0.47 -2.21 0.00 0.00 174.62 173.61 1u1w n ASP 88 N 0.28 1.19 -4.74 8.08 8.00 -1.26 -4.90 116.55 123.20 1u1w n ASP 88 Ca -0.16 -0.95 -0.38 0.00 0.71 0.00 0.00 54.79 54.01 1u1w n ASP 88 Cb 0.61 0.40 0.05 0.00 -0.02 0.00 0.00 41.12 42.16 1u1w n ASP 88 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1u1w s ASN 89 N -2.68 5.06 0.16 -2.24 0.01 -1.26 -4.93 114.94 109.06 1u1w s ASN 89 Ca 0.17 2.75 0.12 0.00 -0.71 0.00 0.00 52.86 55.19 1u1w s ASN 89 Cb 0.18 -2.63 -0.10 0.00 0.41 0.00 0.00 41.25 39.11 1u1w s ASN 89 CO 0.63 -1.71 1.25 0.45 -1.51 0.00 0.00 177.10 176.21 1u1w h HIS 90 N 1.20 0.00 -4.17 2.20 3.86 -1.95 -3.46 115.15 112.83 1u1w h HIS 90 Ca -0.51 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.04 1u1w h HIS 90 Cb 1.31 0.00 -0.25 0.00 1.06 0.00 0.00 27.41 29.53 1u1w h HIS 90 CO 0.44 0.76 -0.87 1.03 0.86 0.00 0.00 177.93 180.16 1u1w s ARG 91 N -2.82 1.59 -0.02 2.45 0.52 -1.26 -0.77 118.95 118.64 1u1w s ARG 91 Ca 0.01 -1.13 0.02 0.00 -0.52 0.00 0.00 55.73 54.11 1u1w s ARG 91 Cb 0.09 -1.83 0.00 0.00 0.52 0.00 0.00 34.95 33.73 1u1w s ARG 91 CO 0.79 0.46 -0.07 -1.17 0.02 0.00 0.00 175.30 175.33 1u1w s LEU 92 N -1.44 1.79 -0.26 2.53 2.96 -0.16 -4.98 118.68 119.13 1u1w s LEU 92 Ca 0.11 -0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 53.86 1u1w s LEU 92 Cb -0.10 -0.45 0.04 0.00 0.50 0.00 0.00 46.19 46.18 1u1w s LEU 92 CO 0.03 0.05 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.74 1u1w s TYR 93 N 0.18 3.13 -0.31 5.38 2.02 -1.26 -0.48 117.35 126.00 1u1w s TYR 93 Ca -0.02 -1.77 -0.04 0.00 -0.37 0.00 0.00 57.07 54.86 1u1w s TYR 93 Cb -0.07 -2.04 0.04 0.00 -0.40 0.00 0.00 41.96 39.49 1u1w s TYR 93 CO 0.00 -0.78 0.05 -0.51 -1.57 0.00 0.00 175.55 172.74 1u1w s LEU 94 N 1.27 4.01 0.33 -1.29 1.43 -0.28 -0.58 118.68 123.56 1u1w s LEU 94 Ca -0.02 -1.11 -0.28 0.00 -1.03 0.00 0.00 54.13 51.69 1u1w s LEU 94 Cb -0.18 -1.80 -0.09 0.00 0.03 0.00 0.00 46.19 44.15 1u1w s LEU 94 CO -0.04 -0.27 1.17 -1.61 0.23 0.00 0.00 176.35 175.83 1u1w s GLU 95 N 1.35 4.40 0.31 1.70 2.02 0.16 -0.57 118.70 128.08 1u1w s GLU 95 Ca -0.02 1.92 0.03 0.00 0.02 0.00 0.00 54.97 56.92 1u1w s GLU 95 Cb -0.19 -3.00 -0.03 0.00 0.10 0.00 0.00 34.13 31.01 1u1w s GLU 95 CO 0.01 -0.05 0.29 0.95 0.02 0.00 0.00 175.26 176.48 1u1w s THR 96 N -1.24 0.00 0.45 3.63 -4.23 -0.42 -0.84 115.64 113.00 1u1w s THR 96 Ca 0.49 -1.91 0.35 0.00 -1.18 0.00 0.00 61.69 59.44 1u1w s THR 96 Cb -0.33 -2.52 0.37 0.00 1.34 0.00 0.00 72.50 71.36 1u1w s THR 96 CO 0.43 0.00 2.17 -0.61 -0.54 0.00 0.00 174.62 176.08 1u1w h GLN 97 N 2.23 0.00 -0.41 3.99 4.15 -1.80 -0.92 115.11 122.34 1u1w h GLN 97 Ca -0.28 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.14 1u1w h GLN 97 Cb 1.24 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.93 1u1w h GLN 97 CO 0.40 0.04 0.00 -1.33 -1.93 0.00 0.00 178.83 176.01 1u1w n MET 98 N -3.35 2.05 0.00 1.69 2.81 -1.15 -5.04 117.12 114.13 1u1w n MET 98 Ca -0.02 -1.62 0.00 0.00 -1.81 0.00 0.00 57.70 54.25 1u1w n MET 98 Cb 0.18 -1.38 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 1u1w n MET 98 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u1w n GLY 99 N 1.24 -1.24 3.69 3.03 0.00 -0.35 -4.97 105.19 106.59 1u1w n GLY 99 Ca 0.16 -2.18 -0.40 0.00 0.00 0.00 0.00 46.02 43.60 1u1w n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u1w s THR 100 N -0.29 5.01 -0.26 2.61 2.01 -1.26 -1.30 115.64 122.16 1u1w s THR 100 Ca 0.00 1.36 -0.11 0.00 0.31 0.00 0.00 61.69 63.26 1u1w s THR 100 Cb 0.00 -4.01 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 1u1w s THR 100 CO 0.00 0.16 0.17 -0.63 -0.69 0.00 0.00 174.62 173.63 1u1w s ILE 101 N 1.46 5.26 -0.04 1.82 -1.09 0.27 -4.90 121.20 123.97 1u1w s ILE 101 Ca 0.34 0.15 -0.19 0.00 -2.23 0.00 0.00 60.65 58.72 1u1w s ILE 101 Cb -0.17 -3.48 -0.05 0.00 -1.58 0.00 0.00 42.46 37.18 1u1w s ILE 101 CO 0.14 0.29 0.53 0.00 -1.23 0.00 0.00 174.94 174.67 1u1w s ALA 102 N 1.48 3.51 -0.03 9.38 0.00 -1.26 -1.13 121.76 133.71 1u1w s ALA 102 Ca 0.07 -0.07 0.06 0.00 0.00 0.00 0.00 51.96 52.02 1u1w s ALA 102 Cb -0.15 -2.67 -0.02 0.00 0.00 0.00 0.00 23.12 20.28 1u1w s ALA 102 CO 0.08 0.15 -0.21 -0.06 0.00 0.00 0.00 175.76 175.73 1u1w s PHE 103 N -0.04 2.49 -0.22 0.00 0.08 0.37 -2.39 117.98 118.27 1u1w s PHE 103 Ca 0.29 -0.32 -0.06 0.00 0.12 0.00 0.00 56.93 56.96 1u1w s PHE 103 Cb -0.17 -1.55 -0.03 0.00 -0.57 0.00 0.00 43.02 40.70 1u1w s PHE 103 CO 0.14 0.07 0.04 -2.00 -0.10 0.00 0.00 175.22 173.37 1u1w s GLU 104 N -0.70 3.66 -0.07 0.44 2.56 -0.30 -0.99 118.70 123.31 1u1w s GLU 104 Ca 0.11 -0.49 -0.11 0.00 0.00 0.00 0.00 54.97 54.48 1u1w s GLU 104 Cb -0.10 -3.20 -0.05 0.00 2.00 0.00 0.00 34.13 32.78 1u1w s GLU 104 CO -0.00 -0.06 0.26 -0.51 -0.56 0.00 0.00 175.26 174.39 1u1w s LEU 105 N 1.24 4.43 -0.19 2.70 1.43 0.05 -1.42 118.68 126.92 1u1w s LEU 105 Ca 0.04 0.69 -0.02 0.00 -1.03 0.00 0.00 54.13 53.81 1u1w s LEU 105 Cb -0.15 -2.31 -0.01 0.00 0.03 0.00 0.00 46.19 43.76 1u1w s LEU 105 CO 0.02 0.37 -0.08 -0.70 0.23 0.00 0.00 176.35 176.19 1u1w s GLU 106 N -1.02 3.37 0.17 1.70 2.12 -0.19 -4.89 118.70 119.97 1u1w s GLU 106 Ca 0.19 -0.65 0.08 0.00 0.36 0.00 0.00 54.97 54.95 1u1w s GLU 106 Cb -0.14 -2.86 -0.04 0.00 0.26 0.00 0.00 34.13 31.35 1u1w s GLU 106 CO 0.08 -0.05 -0.06 1.03 -0.54 0.00 0.00 175.26 175.72 1u1w s ARG 107 N 1.06 2.19 -0.16 4.30 0.52 -1.26 -0.67 118.95 124.94 1u1w s ARG 107 Ca 0.00 -1.20 -0.07 0.00 -0.52 0.00 0.00 55.73 53.94 1u1w s ARG 107 Cb -0.15 -2.24 0.06 0.00 0.52 0.00 0.00 34.95 33.15 1u1w s ARG 107 CO -0.01 0.45 0.37 -1.14 0.02 0.00 0.00 175.30 174.98 1u1w s GLN 108 N -2.84 0.31 -1.55 3.54 0.74 0.16 -4.89 119.66 115.14 1u1w s GLN 108 Ca 0.26 0.80 -0.00 0.00 0.05 0.00 0.00 55.36 56.46 1u1w s GLN 108 Cb -0.09 0.04 0.00 0.00 1.10 0.00 0.00 33.01 34.06 1u1w s GLN 108 CO 0.16 -0.20 0.01 0.09 -0.55 0.00 0.00 175.29 174.81 1u1w n ASN 109 N 4.65 0.93 -0.47 6.67 3.02 -1.26 -2.28 115.26 126.52 1u1w n ASN 109 Ca -0.18 -1.27 -0.06 0.00 -0.03 0.00 0.00 54.58 53.04 1u1w n ASN 109 Cb 0.53 -1.63 -0.02 0.00 -0.61 0.00 0.00 39.78 38.05 1u1w n ASN 109 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u1w n GLY 110 N -2.57 0.73 3.02 7.41 0.00 -1.26 -5.02 105.19 107.49 1u1w n GLY 110 Ca -0.33 -0.78 -0.19 0.00 0.00 0.00 0.00 46.02 44.72 1u1w n GLY 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u1w s SER 111 N -2.91 1.15 -0.14 1.61 0.01 -0.97 -5.09 113.70 107.35 1u1w s SER 111 Ca 0.00 -0.18 -0.29 0.00 1.31 0.00 0.00 55.95 56.79 1u1w s SER 111 Cb 0.00 -0.18 -0.02 0.00 0.21 0.00 0.00 66.02 66.03 1u1w s SER 111 CO 0.00 0.10 1.24 -0.69 0.41 0.00 0.00 173.24 174.30 1u1w s VAL 112 N -0.09 4.29 -0.29 3.43 1.01 -1.26 -0.66 120.40 126.83 1u1w s VAL 112 Ca 0.02 1.58 0.09 0.00 0.00 0.00 0.00 61.98 63.67 1u1w s VAL 112 Cb -0.05 -4.02 -0.11 0.00 0.00 0.00 0.00 36.38 32.20 1u1w s VAL 112 CO -0.00 -0.10 0.33 2.30 0.00 0.00 0.00 175.10 177.62 1u1w n ILE 113 N 5.17 0.00 -3.68 2.22 -5.35 0.16 -4.92 119.36 112.96 1u1w n ILE 113 Ca 0.13 -0.26 -0.06 0.00 -0.27 0.00 0.00 62.75 62.29 1u1w n ILE 113 Cb 0.45 0.76 -0.02 0.00 -1.74 0.00 0.00 39.64 39.10 1u1w n ILE 113 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1u1w s ALA 114 N -2.13 -1.60 0.17 -1.28 0.00 -1.16 -1.55 121.76 114.21 1u1w s ALA 114 Ca 0.01 0.27 -0.16 0.00 0.00 0.00 0.00 51.96 52.08 1u1w s ALA 114 Cb 0.07 0.66 0.03 0.00 0.00 0.00 0.00 23.12 23.87 1u1w s ALA 114 CO 0.38 -0.93 0.46 0.00 0.00 0.00 0.00 175.76 175.67 1u1w s ALA 115 N -3.43 -0.86 -0.00 0.00 0.00 -0.65 -1.02 121.76 115.80 1u1w s ALA 115 Ca 0.09 -0.21 0.05 0.00 0.00 0.00 0.00 51.96 51.89 1u1w s ALA 115 Cb -0.02 0.80 -0.01 0.00 0.00 0.00 0.00 23.12 23.89 1u1w s ALA 115 CO -0.01 -0.73 -0.16 0.45 0.00 0.00 0.00 175.76 175.30 1u1w s SER 116 N -2.86 1.93 0.11 0.00 0.15 -0.50 -1.91 113.70 110.62 1u1w s SER 116 Ca 0.08 -0.32 0.09 0.00 0.70 0.00 0.00 55.95 56.49 1u1w s SER 116 Cb 0.00 -0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 64.07 1u1w s SER 116 CO -0.06 0.18 -0.22 0.00 1.20 0.00 0.00 173.24 174.35 1u1w s MET 117 N -0.50 1.19 -0.45 5.44 0.23 -0.11 -1.15 119.30 123.95 1u1w s MET 117 Ca 0.06 -1.22 -0.16 0.00 -1.03 0.00 0.00 55.69 53.34 1u1w s MET 117 Cb -0.07 -1.48 0.04 0.00 -1.53 0.00 0.00 34.83 31.80 1u1w s MET 117 CO -0.00 0.34 0.42 -0.51 -2.03 0.00 0.00 175.02 173.24 1u1w s ASP 118 N -2.00 6.17 0.76 -1.18 1.11 -1.00 -1.66 116.67 118.87 1u1w s ASP 118 Ca 0.09 -0.97 -0.11 0.00 0.18 0.00 0.00 52.55 51.74 1u1w s ASP 118 Cb -0.10 -2.21 0.05 0.00 1.07 0.00 0.00 42.92 41.74 1u1w s ASP 118 CO 0.05 -0.62 1.09 -1.10 1.18 0.00 0.00 175.17 175.76 1u1w s GLN 119 N 1.95 2.37 0.42 8.23 -0.21 0.26 -4.47 119.66 128.21 1u1w s GLN 119 Ca 0.08 0.72 -0.26 0.00 0.02 0.00 0.00 55.36 55.93 1u1w s GLN 119 Cb -0.20 -1.94 -0.09 0.00 1.00 0.00 0.00 33.01 31.77 1u1w s GLN 119 CO 0.10 -1.44 1.37 -2.30 -2.12 0.00 0.00 175.29 170.90 1u1w n PRO 120 N -3.33 2.17 -2.27 2.91 -0.02 -1.26 -4.48 135.00 128.72 1u1w n PRO 120 Ca 0.07 0.77 -0.43 0.00 -2.02 0.00 0.00 63.50 61.90 1u1w n PRO 120 Cb 0.55 -2.52 -0.02 0.00 -0.02 0.00 0.00 33.50 31.49 1u1w n PRO 120 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1u1w s ILE 121 N -1.18 3.97 0.65 4.25 -1.09 -1.26 -4.92 121.20 121.62 1u1w s ILE 121 Ca 0.60 1.23 -0.11 0.00 -2.23 0.00 0.00 60.65 60.13 1u1w s ILE 121 Cb -0.48 -3.79 -0.02 0.00 -1.58 0.00 0.00 42.46 36.59 1u1w s ILE 121 CO 0.59 -0.08 1.04 -2.16 -1.23 0.00 0.00 174.94 173.10 1u1w s PRO 122 N 3.33 3.33 0.27 2.79 0.04 -1.26 -4.90 135.00 138.60 1u1w s PRO 122 Ca 0.62 0.86 0.07 0.00 0.04 0.00 0.00 61.00 62.58 1u1w s PRO 122 Cb -0.27 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 1u1w s PRO 122 CO 0.22 -0.78 0.28 0.95 0.04 0.00 0.00 177.00 177.71 1u1w s THR 123 N -3.08 4.41 0.13 1.26 -4.23 -0.79 -4.91 115.64 108.43 1u1w s THR 123 Ca 0.57 -1.26 -0.15 0.00 -1.18 0.00 0.00 61.69 59.67 1u1w s THR 123 Cb -0.12 -3.46 0.03 0.00 1.34 0.00 0.00 72.50 70.28 1u1w s THR 123 CO 0.53 -0.29 0.38 -1.66 -0.54 0.00 0.00 174.62 173.04 1u1w s TRP 124 N -2.14 -0.11 0.19 3.99 -2.14 -1.26 -0.59 118.94 116.89 1u1w s TRP 124 Ca 0.36 -0.23 -0.22 0.00 2.66 0.00 0.00 56.10 58.67 1u1w s TRP 124 Cb -0.08 0.21 0.05 0.00 -3.10 0.00 0.00 33.47 30.56 1u1w s TRP 124 CO 0.27 -0.71 0.62 -0.08 -2.66 0.00 0.00 176.95 174.39 1u1w s THR 125 N -3.83 0.00 0.43 0.66 -1.32 -0.78 -5.00 115.64 105.80 1u1w s THR 125 Ca 0.05 -0.31 -0.26 0.00 -1.21 0.00 0.00 61.69 59.96 1u1w s THR 125 Cb 0.02 -1.28 -0.09 0.00 -1.51 0.00 0.00 72.50 69.64 1u1w s THR 125 CO -0.10 -0.02 1.40 0.00 -2.21 0.00 0.00 174.62 173.70 1u1w n ALA 126 N -0.39 1.91 0.02 11.08 0.00 -1.26 -0.85 120.51 131.01 1u1w n ALA 126 Ca -0.13 0.27 -0.17 0.00 0.00 0.00 0.00 53.44 53.40 1u1w n ALA 126 Cb 0.63 -2.37 -0.07 0.00 0.00 0.00 0.00 19.45 17.65 1u1w n ALA 126 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1u1w h LEU 127 N 2.35 0.85 1.00 0.00 5.85 -1.56 -3.44 115.31 120.36 1u1w h LEU 127 Ca -0.50 -0.61 -0.24 0.00 0.84 0.00 0.00 57.88 57.36 1u1w h LEU 127 Cb 1.27 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.98 1u1w h LEU 127 CO 0.61 1.41 -0.26 0.61 -0.34 0.00 0.00 178.44 180.47 1u1w n GLY 128 N 0.84 0.78 2.41 3.75 0.00 -1.26 -4.90 105.19 106.81 1u1w n GLY 128 Ca -0.08 -0.44 -0.15 0.00 0.00 0.00 0.00 46.02 45.35 1u1w n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u1w n ARG 129 N -2.47 2.74 -0.14 1.61 1.74 -1.26 -4.94 116.66 113.94 1u1w n ARG 129 Ca -0.13 -3.92 -0.10 0.00 -0.77 0.00 0.00 57.85 52.94 1u1w n ARG 129 Cb 0.48 -1.96 -0.01 0.00 -1.02 0.00 0.00 32.46 29.95 1u1w n ARG 129 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1u1w h ASP 130 N 2.46 0.66 -0.63 0.55 5.19 -1.96 -0.97 116.42 121.71 1u1w h ASP 130 Ca 0.15 -0.27 -0.07 0.00 -0.62 0.00 0.00 57.03 56.22 1u1w h ASP 130 Cb 1.33 -0.18 -0.03 0.00 0.18 0.00 0.00 39.33 40.63 1u1w h ASP 130 CO 0.56 0.76 0.12 0.00 -3.12 0.00 0.00 179.24 177.56 1u1w h ALA 131 N 0.92 0.98 0.06 3.45 0.00 -1.98 0.04 119.26 122.74 1u1w h ALA 131 Ca 0.12 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1u1w h ALA 131 Cb 0.39 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1u1w h ALA 131 CO 0.01 0.65 -0.03 1.49 0.00 0.00 0.00 179.25 181.37 1u1w h GLU 132 N 1.00 -0.08 -0.33 0.00 4.81 -1.92 -1.86 114.58 116.19 1u1w h GLU 132 Ca 0.20 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.34 1u1w h GLU 132 Cb 0.41 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1u1w h GLU 132 CO 0.01 0.03 -0.17 1.25 -0.73 0.00 0.00 179.01 179.39 1u1w h LEU 133 N -0.17 0.72 -0.87 1.64 5.85 -0.90 -2.25 115.31 119.32 1u1w h LEU 133 Ca -0.01 -0.41 -0.04 0.00 0.84 0.00 0.00 57.88 58.25 1u1w h LEU 133 Cb 0.15 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1u1w h LEU 133 CO 0.01 0.97 0.30 -0.07 -0.34 0.00 0.00 178.44 179.32 1u1w h LEU 134 N 0.46 1.05 -0.69 2.25 3.38 -1.00 -1.49 115.31 119.27 1u1w h LEU 134 Ca 0.07 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1u1w h LEU 134 Cb 0.71 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1u1w h LEU 134 CO 0.05 0.93 0.33 0.50 0.09 0.00 0.00 178.44 180.34 1u1w h LYS 135 N 1.11 0.99 -0.52 1.13 3.64 -1.28 -0.67 116.57 120.97 1u1w h LYS 135 Ca 0.26 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1u1w h LYS 135 Cb 0.21 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 1u1w h LYS 135 CO -0.02 0.78 0.27 0.00 -2.27 0.00 0.00 179.45 178.21 1u1w h ALA 136 N 1.16 1.49 0.00 5.00 0.00 -0.83 -2.41 119.26 123.68 1u1w h ALA 136 Ca 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1u1w h ALA 136 Cb 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1u1w h ALA 136 CO -0.03 0.41 -0.11 -0.07 0.00 0.00 0.00 179.25 179.46 1u1w h LEU 137 N 0.73 0.00 0.00 0.00 3.38 -0.79 0.74 115.31 119.36 1u1w h LEU 137 Ca 0.18 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1u1w h LEU 137 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1u1w h LEU 137 CO -0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.11 1u1w n GLY 138 N 1.14 0.68 3.39 0.83 0.00 -0.33 -4.30 105.19 106.59 1u1w n GLY 138 Ca 0.04 -0.73 -0.19 0.00 0.00 0.00 0.00 46.02 45.13 1u1w n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1u1w s ILE 139 N -2.00 0.94 -0.13 -0.61 -4.36 -0.73 -5.02 121.20 109.28 1u1w s ILE 139 Ca 0.00 -2.00 0.17 0.00 -0.26 0.00 0.00 60.65 58.55 1u1w s ILE 139 Cb 0.00 -2.69 -0.25 0.00 1.25 0.00 0.00 42.46 40.77 1u1w s ILE 139 CO 0.00 -0.03 0.42 -1.54 0.24 0.00 0.00 174.94 174.02 1u1w n SER 140 N -0.58 1.10 -3.37 4.36 3.41 -1.26 -4.10 113.62 113.19 1u1w n SER 140 Ca -0.02 -0.13 -0.05 0.00 -0.26 0.00 0.00 58.87 58.41 1u1w n SER 140 Cb 0.66 1.66 0.01 0.00 -0.26 0.00 0.00 64.21 66.28 1u1w n SER 140 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1u1w s ASP 141 N -3.73 -0.06 0.05 4.04 1.47 -1.26 -5.04 116.67 112.13 1u1w s ASP 141 Ca -0.04 -0.76 0.05 0.00 1.18 0.00 0.00 52.55 52.98 1u1w s ASP 141 Cb 0.11 0.64 -0.04 0.00 -0.34 0.00 0.00 42.92 43.29 1u1w s ASP 141 CO 0.70 -1.24 -0.09 -0.55 0.68 0.00 0.00 175.17 174.67 1u1w s SER 142 N -3.14 4.45 0.56 2.11 0.15 -1.26 -4.93 113.70 111.63 1u1w s SER 142 Ca 0.16 -0.27 0.35 0.00 0.70 0.00 0.00 55.95 56.90 1u1w s SER 142 Cb -0.04 -0.94 1.53 0.00 -1.71 0.00 0.00 66.02 64.87 1u1w s SER 142 CO 0.07 0.24 2.04 0.71 1.20 0.00 0.00 173.24 177.49 1u1w h THR 143 N 3.56 0.00 -3.72 6.45 1.35 -1.54 -3.45 112.91 115.57 1u1w h THR 143 Ca -0.48 -0.41 -0.28 0.00 -0.55 0.00 0.00 66.41 64.69 1u1w h THR 143 Cb 1.16 1.39 -0.16 0.00 -1.73 0.00 0.00 68.15 68.82 1u1w h THR 143 CO 0.53 0.00 -0.71 -0.36 -0.25 0.00 0.00 175.52 174.72 1u1w s PHE 144 N -3.73 1.00 0.27 4.73 0.08 -1.26 -5.01 117.98 114.05 1u1w s PHE 144 Ca 0.00 -0.77 -0.30 0.00 0.12 0.00 0.00 56.93 55.99 1u1w s PHE 144 Cb 0.10 -0.55 -0.14 0.00 -0.57 0.00 0.00 43.02 41.86 1u1w s PHE 144 CO 0.51 -0.05 1.22 -2.30 -0.10 0.00 0.00 175.22 174.50 1u1w n PRO 145 N 0.25 1.72 -2.84 0.24 -0.02 -1.26 -4.62 135.00 128.46 1u1w n PRO 145 Ca -0.14 0.61 -0.43 0.00 -2.02 0.00 0.00 63.50 61.52 1u1w n PRO 145 Cb 0.59 -2.13 -0.04 0.00 -0.02 0.00 0.00 33.50 31.90 1u1w n PRO 145 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1u1w s ILE 146 N -0.65 4.47 0.09 4.25 1.01 -1.26 -4.91 121.20 124.20 1u1w s ILE 146 Ca 0.63 0.59 0.08 0.00 0.00 0.00 0.00 60.65 61.95 1u1w s ILE 146 Cb -0.67 -4.44 -0.03 0.00 0.01 0.00 0.00 42.46 37.32 1u1w s ILE 146 CO 0.56 -0.89 -0.21 -1.61 0.00 0.00 0.00 174.94 172.80 1u1w s GLU 147 N 3.74 1.20 -0.14 2.79 2.02 -1.25 -1.43 118.70 125.64 1u1w s GLU 147 Ca 0.35 -1.12 -0.00 0.00 0.02 0.00 0.00 54.97 54.21 1u1w s GLU 147 Cb -0.11 -1.44 -0.01 0.00 0.10 0.00 0.00 34.13 32.67 1u1w s GLU 147 CO 0.24 0.34 -0.12 -1.50 0.02 0.00 0.00 175.26 174.24 1u1w s ILE 148 N -1.07 3.08 0.02 -1.63 2.07 -0.03 -1.58 121.20 122.06 1u1w s ILE 148 Ca 0.07 -0.65 0.05 0.00 -1.41 0.00 0.00 60.65 58.71 1u1w s ILE 148 Cb -0.10 -2.30 -0.03 0.00 0.13 0.00 0.00 42.46 40.16 1u1w s ILE 148 CO 0.04 0.52 -0.11 -0.31 -1.91 0.00 0.00 174.94 173.17 1u1w s TYR 149 N 0.41 2.76 -0.11 3.50 2.02 0.45 -1.87 117.35 124.52 1u1w s TYR 149 Ca -0.10 -0.13 0.01 0.00 -0.37 0.00 0.00 57.07 56.49 1u1w s TYR 149 Cb -0.16 -1.54 0.02 0.00 -0.40 0.00 0.00 41.96 39.88 1u1w s TYR 149 CO 0.05 0.33 -0.14 -1.58 -1.57 0.00 0.00 175.55 172.65 1u1w s HIS 150 N -0.99 1.89 -0.05 2.71 5.65 0.25 -0.69 115.29 124.06 1u1w s HIS 150 Ca 0.17 -0.92 0.12 0.00 0.25 0.00 0.00 55.06 54.68 1u1w s HIS 150 Cb -0.11 -1.40 0.23 0.00 -1.18 0.00 0.00 32.58 30.12 1u1w s HIS 150 CO 0.07 -0.50 1.10 0.27 -0.65 0.00 0.00 174.74 175.04 1u1w n ASN 151 N 4.37 0.92 0.00 9.88 0.23 -1.26 -1.89 115.26 127.51 1u1w n ASN 151 Ca -0.18 -2.43 0.00 0.00 -0.53 0.00 0.00 54.58 51.43 1u1w n ASN 151 Cb 0.51 -0.31 0.00 0.00 -2.08 0.00 0.00 39.78 37.90 1u1w n ASN 151 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1u1w n GLY 152 N -0.26 2.03 3.60 4.83 0.00 -1.26 -4.73 105.19 109.40 1u1w n GLY 152 Ca 0.07 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 1u1w n GLY 152 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u1w s PRO 153 N 0.00 -0.65 0.04 1.61 0.04 -1.26 -4.79 135.00 130.00 1u1w s PRO 153 Ca 0.00 0.24 0.08 0.00 0.04 0.00 0.00 61.00 61.37 1u1w s PRO 153 Cb 0.00 -1.64 -0.03 0.00 0.04 0.00 0.00 34.50 32.88 1u1w s PRO 153 CO 0.00 -3.40 -0.24 1.03 0.04 0.00 0.00 177.00 174.43 1u1w s ARG 154 N -5.13 1.65 -0.09 4.56 0.52 -1.26 -4.40 118.95 114.80 1u1w s ARG 154 Ca 0.68 -1.03 -0.01 0.00 -0.52 0.00 0.00 55.73 54.86 1u1w s ARG 154 Cb -0.15 -1.79 0.03 0.00 0.52 0.00 0.00 34.95 33.56 1u1w s ARG 154 CO 0.57 0.46 -0.05 -1.01 0.02 0.00 0.00 175.30 175.30 1u1w s HIS 155 N -0.79 1.11 0.02 -0.53 3.76 0.13 -1.16 115.29 117.84 1u1w s HIS 155 Ca 0.10 -0.47 -0.12 0.00 -0.15 0.00 0.00 55.06 54.42 1u1w s HIS 155 Cb -0.09 -1.02 -0.06 0.00 1.11 0.00 0.00 32.58 32.52 1u1w s HIS 155 CO 0.02 -0.41 0.38 0.08 -0.85 0.00 0.00 174.74 173.96 1u1w s VAL 156 N 1.71 5.10 -0.14 -0.90 1.01 -0.10 -0.41 120.40 126.67 1u1w s VAL 156 Ca 0.03 0.62 0.03 0.00 0.00 0.00 0.00 61.98 62.66 1u1w s VAL 156 Cb -0.13 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.60 1u1w s VAL 156 CO -0.06 0.46 -0.22 -0.36 0.00 0.00 0.00 175.10 174.92 1u1w s PHE 157 N -1.21 2.66 -0.14 5.22 0.08 -0.61 -0.31 117.98 123.67 1u1w s PHE 157 Ca 0.27 -1.30 0.02 0.00 0.12 0.00 0.00 56.93 56.03 1u1w s PHE 157 Cb -0.15 -1.81 0.02 0.00 -0.57 0.00 0.00 43.02 40.51 1u1w s PHE 157 CO 0.15 -0.59 -0.18 0.08 -0.10 0.00 0.00 175.22 174.58 1u1w s VAL 158 N 0.76 1.78 0.02 -0.44 1.01 -0.30 -3.77 120.40 119.46 1u1w s VAL 158 Ca -0.08 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 60.93 1u1w s VAL 158 Cb -0.16 -1.61 -0.06 0.00 0.00 0.00 0.00 36.38 34.55 1u1w s VAL 158 CO -0.01 0.50 0.48 -0.83 0.00 0.00 0.00 175.10 175.24 1u1w s GLY 159 N 1.07 2.56 0.04 4.51 0.00 -1.26 -1.47 107.32 112.77 1u1w s GLY 159 Ca -0.03 -0.10 0.06 0.00 0.00 0.00 0.00 44.72 44.65 1u1w s GLY 159 CO -0.05 0.33 -0.15 1.08 0.00 0.00 0.00 173.10 174.31 1u1w s LEU 160 N -0.98 2.75 0.00 0.66 2.01 0.42 -1.29 118.68 122.26 1u1w s LEU 160 Ca 0.26 -0.38 0.29 0.00 0.01 0.00 0.00 54.13 54.31 1u1w s LEU 160 Cb -0.18 -1.60 1.27 0.00 0.01 0.00 0.00 46.19 45.69 1u1w s LEU 160 CO 0.16 0.25 1.92 -0.81 1.01 0.00 0.00 176.35 178.88 1u1w n PRO 161 N 1.42 0.19 -3.44 1.29 -0.04 -1.26 -4.51 135.00 128.65 1u1w n PRO 161 Ca -0.16 -0.02 -0.12 0.00 -0.04 0.00 0.00 63.50 63.16 1u1w n PRO 161 Cb 0.52 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 1u1w n PRO 161 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1u1w s SER 162 N -2.82 -0.55 0.26 3.54 1.04 -1.26 -4.94 113.70 108.96 1u1w s SER 162 Ca 0.20 0.03 -0.02 0.00 0.48 0.00 0.00 55.95 56.63 1u1w s SER 162 Cb 0.19 0.59 0.34 0.00 0.10 0.00 0.00 66.02 67.24 1u1w s SER 162 CO 0.52 -0.94 1.76 0.40 0.98 0.00 0.00 173.24 175.96 1u1w h ILE 163 N 2.09 1.24 -0.96 -1.02 2.04 -1.90 -2.01 117.51 116.99 1u1w h ILE 163 Ca -0.34 -0.99 0.03 0.00 1.00 0.00 0.00 64.86 64.56 1u1w h ILE 163 Cb 1.30 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 38.19 1u1w h ILE 163 CO 0.39 0.35 0.63 -0.78 0.00 0.00 0.00 178.15 178.74 1u1w h ASP 164 N 0.74 1.06 -0.50 1.72 3.58 -1.99 0.46 116.42 121.49 1u1w h ASP 164 Ca 0.15 -0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.50 1u1w h ASP 164 Cb 0.44 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 1u1w h ASP 164 CO 0.02 0.73 0.03 0.00 -2.88 0.00 0.00 179.24 177.14 1u1w h ALA 165 N 1.43 1.01 -0.10 -0.78 0.00 -1.85 -1.88 119.26 117.09 1u1w h ALA 165 Ca 0.37 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1u1w h ALA 165 Cb -0.03 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1u1w h ALA 165 CO -0.11 0.61 0.04 1.25 0.00 0.00 0.00 179.25 181.04 1u1w h LEU 166 N 0.86 0.14 -2.04 0.00 5.85 -0.76 -2.96 115.31 116.41 1u1w h LEU 166 Ca 0.17 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1u1w h LEU 166 Cb 0.47 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 1u1w h LEU 166 CO 0.02 0.29 -0.09 0.28 -0.34 0.00 0.00 178.44 178.60 1u1w h SER 167 N -0.01 0.00 1.38 1.25 0.02 -0.68 -2.79 113.55 112.72 1u1w h SER 167 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1u1w h SER 167 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1u1w h SER 167 CO -0.00 0.09 -0.09 0.00 -1.14 0.00 0.00 176.83 175.69 1u1w n ALA 168 N -2.30 2.38 -1.69 3.77 0.00 -0.73 -4.87 120.51 117.06 1u1w n ALA 168 Ca -0.02 -0.06 -0.43 0.00 0.00 0.00 0.00 53.44 52.93 1u1w n ALA 168 Cb 0.20 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.21 1u1w n ALA 168 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1u1w n LEU 169 N -2.23 3.47 -3.49 0.00 4.77 -1.06 -4.96 117.00 113.51 1u1w n LEU 169 Ca 0.05 1.18 -0.27 0.00 -0.03 0.00 0.00 56.01 56.94 1u1w n LEU 169 Cb 0.43 -1.47 -0.11 0.00 -2.33 0.00 0.00 43.42 39.94 1u1w n LEU 169 CO 0.31 -0.42 -0.27 -1.00 -1.33 0.00 0.00 177.39 174.67 1u1w s HIS 170 N -0.61 1.45 0.77 -1.77 3.76 -1.26 -5.10 115.29 112.53 1u1w s HIS 170 Ca 0.61 -2.41 -0.11 0.00 -0.15 0.00 0.00 55.06 53.00 1u1w s HIS 170 Cb -0.59 -1.22 0.06 0.00 1.11 0.00 0.00 32.58 31.94 1u1w s HIS 170 CO 0.56 -0.79 1.10 -2.14 -0.85 0.00 0.00 174.74 172.62 1u1w s PRO 171 N -0.05 2.21 -0.58 8.40 0.02 -1.26 -4.78 135.00 138.97 1u1w s PRO 171 Ca 0.30 1.22 -0.23 0.00 0.02 0.00 0.00 61.00 62.31 1u1w s PRO 171 Cb -0.01 -1.89 0.05 0.00 0.02 0.00 0.00 34.50 32.67 1u1w s PRO 171 CO -0.17 -1.68 0.89 0.34 -0.33 0.00 0.00 177.00 176.05 1u1w s ASP 172 N -3.27 6.27 0.17 2.53 -1.08 0.25 -4.91 116.67 116.63 1u1w s ASP 172 Ca 0.62 -0.66 -0.14 0.00 -0.52 0.00 0.00 52.55 51.85 1u1w s ASP 172 Cb -0.18 -2.40 0.09 0.00 -1.46 0.00 0.00 42.92 38.97 1u1w s ASP 172 CO 0.55 -1.24 1.80 -0.74 0.52 0.00 0.00 175.17 176.07 1u1w h HIS 173 N 9.34 0.52 -0.49 -5.34 -0.00 -1.93 -0.75 115.15 116.49 1u1w h HIS 173 Ca -0.27 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.09 1u1w h HIS 173 Cb 1.08 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 28.30 1u1w h HIS 173 CO 0.90 0.29 0.21 -0.09 -0.00 0.00 0.00 177.93 179.23 1u1w h ARG 174 N 0.55 0.73 -0.29 5.26 2.43 -1.98 -1.80 114.38 119.28 1u1w h ARG 174 Ca 0.20 -0.13 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 1u1w h ARG 174 Cb 0.04 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1u1w h ARG 174 CO -0.10 0.64 -0.08 0.00 -1.51 0.00 0.00 179.97 178.92 1u1w h ALA 175 N 1.05 1.31 0.00 2.80 0.00 -1.83 -1.86 119.26 120.74 1u1w h ALA 175 Ca 0.17 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1u1w h ALA 175 Cb 0.18 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1u1w h ALA 175 CO -0.02 0.46 -0.00 -0.07 0.00 0.00 0.00 179.25 179.62 1u1w h LEU 176 N 0.45 0.00 -0.34 0.00 3.38 -0.59 -2.59 115.31 115.63 1u1w h LEU 176 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1u1w h LEU 176 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1u1w h LEU 176 CO 0.02 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.35 1u1w n SER 177 N -3.09 0.25 -0.02 -0.43 7.64 -0.70 -1.15 113.62 116.12 1u1w n SER 177 Ca 0.00 0.57 0.15 0.00 1.01 0.00 0.00 58.87 60.61 1u1w n SER 177 Cb 0.27 -0.62 0.84 0.00 -1.01 0.00 0.00 64.21 63.69 1u1w n SER 177 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1u1w n ASN 178 N -1.79 0.05 -4.27 6.43 5.15 -0.98 -4.46 115.26 115.40 1u1w n ASN 178 Ca 0.02 -0.61 -0.44 0.00 -0.60 0.00 0.00 54.58 52.94 1u1w n ASN 178 Cb 0.15 -0.13 -0.05 0.00 -0.53 0.00 0.00 39.78 39.23 1u1w n ASN 178 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1u1w s PHE 179 N -2.27 3.59 0.37 1.20 0.08 -0.30 -5.06 117.98 115.58 1u1w s PHE 179 Ca 0.38 -2.01 -0.23 0.00 0.12 0.00 0.00 56.93 55.19 1u1w s PHE 179 Cb 0.21 -3.67 -0.10 0.00 -0.57 0.00 0.00 43.02 38.89 1u1w s PHE 179 CO 0.41 -0.97 0.93 -1.01 -0.10 0.00 0.00 175.22 174.48 1u1w s HIS 180 N 0.46 3.50 -1.32 0.36 3.76 -1.26 -4.18 115.29 116.61 1u1w s HIS 180 Ca 0.14 1.65 -0.08 0.00 -0.15 0.00 0.00 55.06 56.63 1u1w s HIS 180 Cb -0.17 -2.85 -0.00 0.00 1.11 0.00 0.00 32.58 30.67 1u1w s HIS 180 CO -0.05 0.06 0.54 -3.47 -0.85 0.00 0.00 174.74 170.97 1u1w n ASP 181 N -0.03 -1.96 -3.58 1.40 2.03 -1.26 -4.95 116.55 108.19 1u1w n ASP 181 Ca 0.04 -1.02 -0.08 0.00 0.52 0.00 0.00 54.79 54.25 1u1w n ASP 181 Cb 0.52 -3.09 -0.02 0.00 -0.72 0.00 0.00 41.12 37.81 1u1w n ASP 181 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1u1w s MET 182 N -6.42 1.17 -0.03 -0.67 0.23 -1.26 -4.09 119.30 108.23 1u1w s MET 182 Ca 0.16 -0.52 0.05 0.00 -1.03 0.00 0.00 55.69 54.36 1u1w s MET 182 Cb -0.06 0.48 -0.02 0.00 -1.53 0.00 0.00 34.83 33.69 1u1w s MET 182 CO 0.88 -0.52 -0.18 0.00 -2.03 0.00 0.00 175.02 173.17 1u1w s ALA 183 N -3.45 2.50 -0.34 3.16 0.00 -0.31 -4.45 121.76 118.87 1u1w s ALA 183 Ca 0.06 -1.05 -0.12 0.00 0.00 0.00 0.00 51.96 50.85 1u1w s ALA 183 Cb -0.02 -0.81 -0.01 0.00 0.00 0.00 0.00 23.12 22.28 1u1w s ALA 183 CO -0.06 0.55 0.22 0.42 0.00 0.00 0.00 175.76 176.90 1u1w s ILE 184 N -0.72 5.09 -0.28 0.00 -1.09 -0.19 -0.92 121.20 123.09 1u1w s ILE 184 Ca 0.11 -0.33 -0.05 0.00 -2.23 0.00 0.00 60.65 58.15 1u1w s ILE 184 Cb -0.10 -3.64 0.01 0.00 -1.58 0.00 0.00 42.46 37.15 1u1w s ILE 184 CO 0.01 -0.02 0.04 0.20 -1.23 0.00 0.00 174.94 173.93 1u1w s ASN 185 N 1.69 4.88 -0.14 3.58 0.01 0.58 -0.82 114.94 124.72 1u1w s ASN 185 Ca 0.05 -0.70 -0.04 0.00 -0.71 0.00 0.00 52.86 51.46 1u1w s ASN 185 Cb -0.18 -1.82 -0.03 0.00 0.41 0.00 0.00 41.25 39.63 1u1w s ASN 185 CO 0.09 -0.16 0.02 0.00 -1.51 0.00 0.00 177.10 175.55 1u1w s PHE 187 N -0.18 0.88 0.00 0.00 -0.12 -0.54 -0.91 117.98 117.12 1u1w s PHE 187 Ca 0.06 -0.60 -0.25 0.00 -0.05 0.00 0.00 56.93 56.08 1u1w s PHE 187 Cb -0.12 -0.51 0.06 0.00 -0.63 0.00 0.00 43.02 41.82 1u1w s PHE 187 CO 0.02 -0.05 0.56 0.00 -0.05 0.00 0.00 175.22 175.69 1u1w s ALA 188 N -2.02 -1.44 0.00 1.99 0.00 -0.50 -0.44 121.76 119.35 1u1w s ALA 188 Ca -0.01 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.80 1u1w s ALA 188 Cb -0.06 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.26 1u1w s ALA 188 CO -0.00 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 175.75 1u1w n GLY 189 N 0.72 0.04 3.61 0.00 0.00 -1.26 -0.42 105.19 107.89 1u1w n GLY 189 Ca -0.19 -1.17 -0.09 0.00 0.00 0.00 0.00 46.02 44.56 1u1w n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1w s ALA 190 N -1.00 -1.97 0.00 4.61 0.00 -0.49 -5.00 121.76 117.91 1u1w s ALA 190 Ca 0.00 1.75 0.00 0.00 0.00 0.00 0.00 51.96 53.71 1u1w s ALA 190 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 21.95 1u1w s ALA 190 CO 0.00 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1u1w n GLY 191 N 1.57 3.20 0.28 0.00 0.00 -1.26 -1.82 105.19 107.16 1u1w n GLY 191 Ca -0.11 -0.16 0.14 0.00 0.00 0.00 0.00 46.02 45.88 1u1w n GLY 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u1w n ARG 192 N 13.20 1.04 -3.99 1.61 1.74 -1.26 -4.86 116.66 124.14 1u1w n ARG 192 Ca 0.00 -0.56 -0.30 0.00 -0.77 0.00 0.00 57.85 56.22 1u1w n ARG 192 Cb 0.00 -1.49 -0.16 0.00 -1.02 0.00 0.00 32.46 29.79 1u1w n ARG 192 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1u1w s ARG 193 N -2.35 2.07 0.06 5.56 1.81 -0.75 -0.85 118.95 124.49 1u1w s ARG 193 Ca 0.29 -0.69 0.04 0.00 -1.72 0.00 0.00 55.73 53.65 1u1w s ARG 193 Cb 0.20 -2.24 -0.03 0.00 -0.45 0.00 0.00 34.95 32.43 1u1w s ARG 193 CO 0.46 -0.35 -0.12 -1.58 -0.68 0.00 0.00 175.30 173.03 1u1w s TRP 194 N 1.46 0.99 0.03 -0.53 0.52 -0.03 -1.40 118.94 119.99 1u1w s TRP 194 Ca 0.01 -0.45 0.02 0.00 0.02 0.00 0.00 56.10 55.71 1u1w s TRP 194 Cb -0.15 -0.57 -0.04 0.00 -1.15 0.00 0.00 33.47 31.56 1u1w s TRP 194 CO -0.09 0.00 0.00 1.03 0.02 0.00 0.00 176.95 177.91 1u1w s ARG 195 N -1.58 2.72 0.04 4.98 1.81 0.44 -0.37 118.95 127.00 1u1w s ARG 195 Ca -0.05 -0.68 0.02 0.00 -1.72 0.00 0.00 55.73 53.30 1u1w s ARG 195 Cb -0.10 -2.63 -0.03 0.00 -0.45 0.00 0.00 34.95 31.75 1u1w s ARG 195 CO 0.01 0.60 -0.06 0.45 -0.68 0.00 0.00 175.30 175.62 1u1w s SER 196 N -1.78 0.74 -0.01 0.23 0.15 -0.40 -1.41 113.70 111.20 1u1w s SER 196 Ca 0.21 -0.60 0.04 0.00 0.70 0.00 0.00 55.95 56.31 1u1w s SER 196 Cb -0.12 0.06 -0.01 0.00 -1.71 0.00 0.00 66.02 64.24 1u1w s SER 196 CO 0.13 -0.26 -0.13 -0.13 1.20 0.00 0.00 173.24 174.04 1u1w s ARG 197 N -1.85 1.09 -0.03 5.44 0.52 -0.09 -3.59 118.95 120.44 1u1w s ARG 197 Ca -0.09 -0.49 0.06 0.00 -0.52 0.00 0.00 55.73 54.69 1u1w s ARG 197 Cb -0.08 -1.05 -0.01 0.00 0.52 0.00 0.00 34.95 34.33 1u1w s ARG 197 CO -0.01 0.29 -0.21 1.41 0.02 0.00 0.00 175.30 176.80 1u1w s MET 198 N -0.35 1.89 -0.05 3.54 1.75 -1.26 -0.44 119.30 124.38 1u1w s MET 198 Ca 0.05 -0.76 0.02 0.00 -1.25 0.00 0.00 55.69 53.75 1u1w s MET 198 Cb -0.05 -1.74 0.01 0.00 2.84 0.00 0.00 34.83 35.89 1u1w s MET 198 CO -0.00 0.40 -0.09 -0.06 -0.65 0.00 0.00 175.02 174.61 1u1w s PHE 199 N -0.33 1.13 -0.42 4.11 0.08 0.00 -1.23 117.98 121.33 1u1w s PHE 199 Ca 0.04 -0.36 0.07 0.00 0.12 0.00 0.00 56.93 56.80 1u1w s PHE 199 Cb -0.10 -0.85 0.18 0.00 -0.57 0.00 0.00 43.02 41.68 1u1w s PHE 199 CO 0.01 -0.20 0.62 0.45 -0.10 0.00 0.00 175.22 176.00 1u1w s SER 200 N 0.56 -1.22 0.40 1.36 0.15 -0.72 -1.02 113.70 113.22 1u1w s SER 200 Ca -0.10 -1.04 0.08 0.00 0.70 0.00 0.00 55.95 55.59 1u1w s SER 200 Cb -0.13 1.79 0.85 0.00 -1.71 0.00 0.00 66.02 66.82 1u1w s SER 200 CO 0.02 -0.16 2.02 1.55 1.20 0.00 0.00 173.24 177.87 1u1w h PRO 201 N 6.68 0.57 -0.90 5.44 0.13 -1.84 -1.10 132.00 140.98 1u1w h PRO 201 Ca 0.05 -0.03 0.10 0.00 -0.87 0.00 0.00 66.00 65.25 1u1w h PRO 201 Cb 1.15 -0.13 -0.07 0.00 0.13 0.00 0.00 31.00 32.09 1u1w h PRO 201 CO 0.10 0.38 0.58 0.00 -0.23 0.00 0.00 178.00 178.83 1u1w h ALA 202 N 1.70 1.64 -0.53 -0.56 0.00 -1.79 -0.79 119.26 118.93 1u1w h ALA 202 Ca 0.21 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1u1w h ALA 202 Cb 0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1u1w h ALA 202 CO -0.05 0.17 0.04 0.66 0.00 0.00 0.00 179.25 180.06 1u1w n TYR 203 N -4.54 1.90 -1.52 0.00 4.01 -0.61 -4.80 117.16 111.60 1u1w n TYR 203 Ca 0.15 -0.84 -0.06 0.00 -0.16 0.00 0.00 57.90 56.99 1u1w n TYR 203 Cb 0.32 -0.50 -0.02 0.00 -0.31 0.00 0.00 39.34 38.83 1u1w n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u1w n GLY 204 N 0.26 0.58 2.85 2.72 0.00 -0.30 -4.48 105.19 106.82 1u1w n GLY 204 Ca 0.29 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.42 1u1w n GLY 204 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u1w s VAL 205 N -2.26 0.19 0.04 1.61 0.11 -0.52 -4.76 120.40 114.81 1u1w s VAL 205 Ca 0.00 0.03 -0.29 0.00 -2.93 0.00 0.00 61.98 58.79 1u1w s VAL 205 Cb 0.00 -0.24 -0.17 0.00 -1.53 0.00 0.00 36.38 34.43 1u1w s VAL 205 CO 0.00 0.12 1.45 0.58 -3.33 0.00 0.00 175.10 173.92 1u1w h VAL 206 N 5.90 0.48 -3.00 2.04 2.07 -1.93 -1.90 116.25 119.91 1u1w h VAL 206 Ca -0.38 -0.23 -0.21 0.00 0.82 0.00 0.00 66.70 66.70 1u1w h VAL 206 Cb 1.15 0.58 -0.31 0.00 -1.52 0.00 0.00 31.29 31.19 1u1w h VAL 206 CO 0.49 0.04 -0.51 -0.70 0.02 0.00 0.00 177.57 176.90 1u1w s GLU 207 N -5.45 0.17 0.02 1.57 2.12 -1.26 -3.85 118.70 112.03 1u1w s GLU 207 Ca -0.16 0.58 -0.14 0.00 0.36 0.00 0.00 54.97 55.61 1u1w s GLU 207 Cb 0.03 -0.11 -0.06 0.00 0.26 0.00 0.00 34.13 34.25 1u1w s GLU 207 CO 0.58 -0.21 0.42 0.34 -0.54 0.00 0.00 175.26 175.85 1u1w s ASP 208 N 1.63 6.80 0.19 -1.70 2.15 -0.36 -5.01 116.67 120.36 1u1w s ASP 208 Ca -0.06 0.96 0.05 0.00 0.43 0.00 0.00 52.55 53.93 1u1w s ASP 208 Cb -0.11 -2.25 0.07 0.00 -0.30 0.00 0.00 42.92 40.33 1u1w s ASP 208 CO -0.08 0.29 1.43 0.00 -0.17 0.00 0.00 175.17 176.64 1u1w h ALA 209 N 4.49 0.63 -0.92 3.66 0.00 -1.89 -3.37 119.26 121.85 1u1w h ALA 209 Ca -0.51 -0.70 0.07 0.00 0.00 0.00 0.00 54.91 53.76 1u1w h ALA 209 Cb 1.21 -0.10 -0.21 0.00 0.00 0.00 0.00 17.79 18.70 1u1w h ALA 209 CO 0.62 0.92 -0.31 0.00 0.00 0.00 0.00 179.25 180.49 1u1w s ALA 210 N -3.27 -2.52 -1.01 0.00 0.00 -1.26 -3.06 121.76 110.65 1u1w s ALA 210 Ca -0.02 1.30 -0.12 0.00 0.00 0.00 0.00 51.96 53.12 1u1w s ALA 210 Cb 0.11 -2.46 0.24 0.00 0.00 0.00 0.00 23.12 21.00 1u1w s ALA 210 CO 0.81 -1.71 1.03 0.99 0.00 0.00 0.00 175.76 176.88 1u1w s THR 211 N 2.85 5.70 0.38 0.00 2.01 -1.26 -4.50 115.64 120.82 1u1w s THR 211 Ca 0.14 -2.91 0.10 0.00 0.31 0.00 0.00 61.69 59.33 1u1w s THR 211 Cb -0.11 -4.60 0.14 0.00 0.01 0.00 0.00 72.50 67.94 1u1w s THR 211 CO -0.24 -1.20 1.88 1.23 -0.69 0.00 0.00 174.62 175.61 1u1w h GLY 212 N 7.58 0.19 1.78 4.40 0.00 -1.95 -0.92 103.07 114.15 1u1w h GLY 212 Ca 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1u1w h GLY 212 CO 0.95 0.12 0.00 -1.14 0.00 0.00 0.00 176.54 176.47 1u1w n SER 213 N -4.22 0.00 0.10 0.19 3.41 -1.26 -2.24 113.62 109.59 1u1w n SER 213 Ca -0.01 0.25 0.11 0.00 -0.26 0.00 0.00 58.87 58.96 1u1w n SER 213 Cb 0.31 -0.39 -0.01 0.00 -0.26 0.00 0.00 64.21 63.86 1u1w n SER 213 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1w n ALA 214 N -1.39 2.56 -0.11 7.33 0.00 -0.36 -4.37 120.51 124.16 1u1w n ALA 214 Ca 0.07 -0.25 -0.11 0.00 0.00 0.00 0.00 53.44 53.15 1u1w n ALA 214 Cb 0.19 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 1u1w n ALA 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u1w h ALA 215 N 2.02 0.45 0.15 0.00 0.00 -1.29 -0.55 119.26 120.04 1u1w h ALA 215 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1u1w h ALA 215 Cb 0.99 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1u1w h ALA 215 CO 0.00 0.27 -0.07 0.78 0.00 0.00 0.00 179.25 180.23 1u1w h GLY 216 N 0.41 -0.21 0.63 0.00 0.00 -1.78 -2.28 103.07 99.84 1u1w h GLY 216 Ca 0.09 0.08 0.14 0.00 0.00 0.00 0.00 47.33 47.63 1u1w h GLY 216 CO 0.03 -0.08 0.54 -2.55 0.00 0.00 0.00 176.54 174.48 1u1w h PRO 217 N -0.43 0.58 -0.37 4.80 0.11 -1.75 -2.23 132.00 132.70 1u1w h PRO 217 Ca -0.02 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.93 1u1w h PRO 217 Cb 0.34 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 1u1w h PRO 217 CO 0.03 0.38 -0.26 1.25 -0.21 0.00 0.00 178.00 179.20 1u1w h LEU 218 N 0.59 0.79 -1.05 2.35 5.85 -0.75 0.32 115.31 123.41 1u1w h LEU 218 Ca 0.41 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1u1w h LEU 218 Cb 0.72 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1u1w h LEU 218 CO -0.16 1.01 0.30 0.00 -0.34 0.00 0.00 178.44 179.25 1u1w h ALA 219 N 1.04 1.26 -0.16 1.25 0.00 -0.85 -0.12 119.26 121.69 1u1w h ALA 219 Ca 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1u1w h ALA 219 Cb 0.78 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1u1w h ALA 219 CO 0.06 0.56 0.04 0.82 0.00 0.00 0.00 179.25 180.74 1u1w h ILE 220 N 0.96 1.19 -0.27 0.00 2.04 -0.90 -2.46 117.51 118.07 1u1w h ILE 220 Ca 0.23 -0.60 0.04 0.00 1.00 0.00 0.00 64.86 65.53 1u1w h ILE 220 Cb 0.14 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 1u1w h ILE 220 CO -0.03 0.18 0.04 -0.74 0.00 0.00 0.00 178.15 177.60 1u1w h HIS 221 N 0.07 0.06 -0.52 1.37 2.76 -0.37 0.35 115.15 118.87 1u1w h HIS 221 Ca 0.05 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.17 1u1w h HIS 221 Cb 0.24 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.20 1u1w h HIS 221 CO 0.00 0.00 0.05 -0.07 -1.30 0.00 0.00 177.93 176.61 1u1w h LEU 222 N 0.13 0.80 -0.25 0.26 3.38 -1.03 -1.74 115.31 116.86 1u1w h LEU 222 Ca 0.12 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 1u1w h LEU 222 Cb 0.14 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1u1w h LEU 222 CO -0.18 0.83 -0.35 0.00 0.09 0.00 0.00 178.44 178.84 1u1w h ALA 223 N 1.26 0.39 -0.78 1.53 0.00 -0.99 -0.30 119.26 120.37 1u1w h ALA 223 Ca 0.16 -0.43 0.04 0.00 0.00 0.00 0.00 54.91 54.68 1u1w h ALA 223 Cb 0.41 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1u1w h ALA 223 CO 0.01 0.45 0.51 0.00 0.00 0.00 0.00 179.25 180.22 1u1w h ARG 224 N 0.41 0.90 -0.65 0.00 3.08 -0.77 -2.08 114.38 115.27 1u1w h ARG 224 Ca 0.03 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1u1w h ARG 224 Cb 0.93 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1u1w h ARG 224 CO 0.08 0.59 0.00 0.72 -1.07 0.00 0.00 179.97 180.29 1u1w n HIS 225 N -4.46 1.67 -1.00 3.04 8.25 -0.67 -4.95 115.22 117.10 1u1w n HIS 225 Ca 0.10 -0.59 -0.00 0.00 -0.26 0.00 0.00 57.72 56.97 1u1w n HIS 225 Cb 0.14 -0.41 -0.00 0.00 1.12 0.00 0.00 29.99 30.85 1u1w n HIS 225 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u1w n GLY 226 N 0.63 0.47 0.09 -1.41 0.00 -0.78 -4.90 105.19 99.29 1u1w n GLY 226 Ca 0.23 -0.26 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 1u1w n GLY 226 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1u1w h GLN 227 N 0.73 0.00 -4.42 1.61 1.08 -1.29 -3.48 115.11 109.34 1u1w h GLN 227 Ca -0.00 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.01 1u1w h GLN 227 Cb 0.03 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 27.31 1u1w h GLN 227 CO 0.00 0.47 -0.64 0.96 -0.95 0.00 0.00 178.83 178.67 1u1w s ILE 228 N -2.74 0.10 0.29 2.54 -4.36 -1.18 -4.37 121.20 111.48 1u1w s ILE 228 Ca -0.03 -1.90 -0.16 0.00 -0.26 0.00 0.00 60.65 58.30 1u1w s ILE 228 Cb 0.08 -2.04 -0.09 0.00 1.25 0.00 0.00 42.46 41.66 1u1w s ILE 228 CO 0.82 -0.46 0.73 -1.61 0.24 0.00 0.00 174.94 174.66 1u1w s GLU 229 N -4.05 4.08 0.25 0.37 2.02 -1.26 -4.22 118.70 115.90 1u1w s GLU 229 Ca 0.24 0.73 -0.30 0.00 0.02 0.00 0.00 54.97 55.66 1u1w s GLU 229 Cb 0.07 -2.56 -0.14 0.00 0.10 0.00 0.00 34.13 31.60 1u1w s GLU 229 CO 0.02 0.22 1.24 1.19 0.02 0.00 0.00 175.26 177.95 1u1w n PHE 230 N -0.05 1.77 0.00 1.61 3.72 -1.26 -2.24 117.46 121.02 1u1w n PHE 230 Ca 0.02 0.57 0.00 0.00 -0.05 0.00 0.00 57.45 57.99 1u1w n PHE 230 Cb 0.53 -2.36 0.00 0.00 -0.94 0.00 0.00 39.48 36.70 1u1w n PHE 230 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1u1w n GLY 231 N 1.68 2.11 3.66 1.37 0.00 -0.08 -4.91 105.19 109.02 1u1w n GLY 231 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1u1w n GLY 231 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1u1w s GLN 232 N -0.47 4.23 0.35 1.61 0.74 -0.95 -4.80 119.66 120.38 1u1w s GLN 232 Ca 0.00 1.72 -0.28 0.00 0.05 0.00 0.00 55.36 56.85 1u1w s GLN 232 Cb 0.00 -3.78 -0.10 0.00 1.10 0.00 0.00 33.01 30.23 1u1w s GLN 232 CO 0.00 -0.71 1.31 -1.25 -0.55 0.00 0.00 175.29 174.09 1u1w s PRO 233 N 3.51 4.24 0.16 1.67 0.04 -1.26 -4.64 135.00 138.72 1u1w s PRO 233 Ca 0.57 2.22 0.09 0.00 0.04 0.00 0.00 61.00 63.91 1u1w s PRO 233 Cb -0.23 -2.98 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 1u1w s PRO 233 CO 0.17 -0.29 -0.19 0.14 0.04 0.00 0.00 177.00 176.87 1u1w s VAL 234 N -1.18 1.84 -0.17 -0.36 -7.23 -0.26 -4.79 120.40 108.25 1u1w s VAL 234 Ca 0.51 -1.92 -0.03 0.00 -1.81 0.00 0.00 61.98 58.74 1u1w s VAL 234 Cb -0.40 -1.85 -0.02 0.00 0.56 0.00 0.00 36.38 34.68 1u1w s VAL 234 CO 0.52 -0.30 -0.06 -1.61 -0.31 0.00 0.00 175.10 173.34 1u1w s GLU 235 N -2.77 3.49 -0.24 4.82 2.02 -0.03 -1.52 118.70 124.46 1u1w s GLU 235 Ca 0.16 -0.60 0.00 0.00 0.02 0.00 0.00 54.97 54.55 1u1w s GLU 235 Cb -0.06 -2.88 0.04 0.00 0.10 0.00 0.00 34.13 31.32 1u1w s GLU 235 CO 0.07 0.06 -0.10 0.42 0.02 0.00 0.00 175.26 175.73 1u1w s ILE 236 N 0.80 2.54 -0.29 -1.63 1.01 0.34 -0.85 121.20 123.13 1u1w s ILE 236 Ca -0.02 -1.19 -0.11 0.00 0.00 0.00 0.00 60.65 59.33 1u1w s ILE 236 Cb -0.15 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 1u1w s ILE 236 CO 0.02 0.18 0.18 -0.22 0.00 0.00 0.00 174.94 175.10 1u1w s LEU 237 N 1.25 4.03 0.23 2.97 2.96 0.50 -0.75 118.68 129.88 1u1w s LEU 237 Ca -0.02 -0.11 0.11 0.00 -0.22 0.00 0.00 54.13 53.89 1u1w s LEU 237 Cb -0.17 -2.10 -0.05 0.00 0.50 0.00 0.00 46.19 44.38 1u1w s LEU 237 CO -0.06 -0.08 -0.20 -1.58 -1.32 0.00 0.00 176.35 173.11 1u1w s GLN 238 N 1.73 1.52 0.00 1.98 0.74 -0.23 -1.28 119.66 124.13 1u1w s GLN 238 Ca 0.07 -1.62 0.00 0.00 0.05 0.00 0.00 55.36 53.86 1u1w s GLN 238 Cb -0.16 -1.63 0.00 0.00 1.10 0.00 0.00 33.01 32.32 1u1w s GLN 238 CO 0.10 0.32 0.00 0.41 -0.55 0.00 0.00 175.29 175.57 1u1w n GLY 239 N -0.20 0.54 0.17 2.59 0.00 -1.17 -0.97 105.19 106.14 1u1w n GLY 239 Ca -0.09 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 1u1w n GLY 239 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1u1w h VAL 240 N 0.00 1.27 0.00 1.61 2.07 -1.86 -0.04 116.25 119.30 1u1w h VAL 240 Ca 0.00 -1.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.46 1u1w h VAL 240 Cb 0.00 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1u1w h VAL 240 CO 0.00 0.32 -0.16 -0.33 0.02 0.00 0.00 177.57 177.43 1u1w h GLU 241 N 0.24 0.00 -0.54 1.57 3.07 -1.95 -0.96 114.58 116.01 1u1w h GLU 241 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1u1w h GLU 241 Cb 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 1u1w h GLU 241 CO 0.02 0.16 0.00 0.44 -1.40 0.00 0.00 179.01 178.23 1u1w n ILE 242 N -3.54 0.72 -0.92 3.13 -5.35 -1.12 -4.93 119.36 107.35 1u1w n ILE 242 Ca -0.01 -0.81 0.00 0.00 -0.27 0.00 0.00 62.75 61.66 1u1w n ILE 242 Cb 0.30 0.64 0.00 0.00 -1.74 0.00 0.00 39.64 38.84 1u1w n ILE 242 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1u1w n GLY 243 N 1.53 0.43 2.59 3.28 0.00 -0.37 -4.97 105.19 107.68 1u1w n GLY 243 Ca 0.21 -1.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 1u1w n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u1w n ARG 244 N -2.92 2.24 -1.72 1.61 5.12 -0.06 -4.92 116.66 116.01 1u1w n ARG 244 Ca 0.00 -4.15 -0.43 0.00 -1.93 0.00 0.00 57.85 51.34 1u1w n ARG 244 Cb 0.00 -1.97 -0.03 0.00 -1.16 0.00 0.00 32.46 29.31 1u1w n ARG 244 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1u1w n PRO 245 N -0.05 2.59 -3.74 5.56 -0.04 -1.22 -4.17 135.00 133.92 1u1w n PRO 245 Ca 0.28 0.93 -0.19 0.00 -0.04 0.00 0.00 63.50 64.48 1u1w n PRO 245 Cb 0.55 -2.72 -0.17 0.00 -0.04 0.00 0.00 33.50 31.11 1u1w n PRO 245 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1u1w s SER 246 N 0.79 0.81 -0.27 3.54 0.01 -0.15 -1.14 113.70 117.30 1u1w s SER 246 Ca 0.71 0.04 -0.08 0.00 1.31 0.00 0.00 55.95 57.92 1u1w s SER 246 Cb -0.54 -0.17 -0.03 0.00 0.21 0.00 0.00 66.02 65.50 1u1w s SER 246 CO 0.41 -0.19 0.10 -0.76 0.41 0.00 0.00 173.24 173.21 1u1w s LEU 247 N 1.70 3.66 -0.13 2.44 1.43 -0.81 -1.06 118.68 125.90 1u1w s LEU 247 Ca -0.01 -0.27 -0.03 0.00 -1.03 0.00 0.00 54.13 52.80 1u1w s LEU 247 Cb -0.13 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 1u1w s LEU 247 CO -0.03 -0.08 -0.03 -0.04 0.23 0.00 0.00 176.35 176.40 1u1w s MET 248 N 1.63 3.41 -0.14 1.70 -1.94 0.07 -4.68 119.30 119.35 1u1w s MET 248 Ca 0.06 -0.50 -0.03 0.00 -1.71 0.00 0.00 55.69 53.51 1u1w s MET 248 Cb -0.16 -2.85 -0.03 0.00 2.01 0.00 0.00 34.83 33.80 1u1w s MET 248 CO 0.05 0.40 -0.03 -0.06 -0.01 0.00 0.00 175.02 175.37 1u1w s PHE 249 N -0.06 3.04 0.01 -0.03 0.08 -0.57 -0.50 117.98 119.94 1u1w s PHE 249 Ca 0.02 -0.19 -0.03 0.00 0.12 0.00 0.00 56.93 56.85 1u1w s PHE 249 Cb -0.13 -1.92 -0.01 0.00 -0.57 0.00 0.00 43.02 40.40 1u1w s PHE 249 CO 0.02 0.07 0.04 0.00 -0.10 0.00 0.00 175.22 175.26 1u1w s ALA 250 N 0.09 -0.08 -0.11 5.36 0.00 -0.57 -0.89 121.76 125.55 1u1w s ALA 250 Ca -0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 51.96 51.56 1u1w s ALA 250 Cb -0.13 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.11 1u1w s ALA 250 CO 0.03 -0.16 0.29 0.21 0.00 0.00 0.00 175.76 176.13 1u1w s LYS 251 N -1.19 0.32 -0.17 0.00 2.20 -0.50 -1.10 119.74 119.29 1u1w s LYS 251 Ca -0.13 0.44 0.01 0.00 -0.36 0.00 0.00 55.97 55.93 1u1w s LYS 251 Cb -0.08 0.11 0.03 0.00 -1.51 0.00 0.00 37.83 36.39 1u1w s LYS 251 CO 0.00 -0.07 -0.12 0.00 -0.36 0.00 0.00 175.35 174.81 1u1w s ALA 252 N 0.39 1.91 -0.04 3.13 0.00 -1.26 -0.50 121.76 125.39 1u1w s ALA 252 Ca -0.02 -1.04 -0.00 0.00 0.00 0.00 0.00 51.96 50.90 1u1w s ALA 252 Cb -0.04 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 1u1w s ALA 252 CO -0.02 -0.60 0.02 -1.21 0.00 0.00 0.00 175.76 173.95 1u1w s GLU 253 N 1.45 2.92 0.00 0.00 2.02 0.00 -0.91 118.70 124.19 1u1w s GLU 253 Ca 0.02 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 54.51 1u1w s GLU 253 Cb -0.14 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.33 1u1w s GLU 253 CO -0.09 0.66 0.00 0.41 0.02 0.00 0.00 175.26 176.26 1u1w n GLY 254 N 1.67 0.12 3.23 -1.39 0.00 -1.26 -1.03 105.19 106.53 1u1w n GLY 254 Ca -0.16 -1.86 -0.13 0.00 0.00 0.00 0.00 46.02 43.87 1u1w n GLY 254 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u1w s ARG 255 N 0.00 1.16 0.36 1.61 1.81 -0.80 -4.78 118.95 118.31 1u1w s ARG 255 Ca 0.00 -1.59 0.06 0.00 -1.72 0.00 0.00 55.73 52.47 1u1w s ARG 255 Cb 0.00 0.01 0.73 0.00 -0.45 0.00 0.00 34.95 35.24 1u1w s ARG 255 CO 0.00 -0.27 1.95 0.00 -0.68 0.00 0.00 175.30 176.30 1u1w h ALA 256 N 2.64 1.69 0.00 2.13 0.00 -1.98 -1.50 119.26 122.24 1u1w h ALA 256 Ca -0.36 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1u1w h ALA 256 Cb 1.23 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1u1w h ALA 256 CO 0.59 0.19 0.00 -0.85 0.00 0.00 0.00 179.25 179.18 1u1w n GLU 257 N -4.48 0.17 -3.16 0.00 0.28 -1.26 -4.46 120.64 107.73 1u1w n GLU 257 Ca 0.11 0.25 0.02 0.00 -0.16 0.00 0.00 57.16 57.37 1u1w n GLU 257 Cb 0.23 -1.75 -0.01 0.00 1.43 0.00 0.00 31.44 31.35 1u1w n GLU 257 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 1u1w s GLN 258 N -3.14 0.68 0.09 3.44 2.00 -0.58 -5.12 119.66 117.03 1u1w s GLN 258 Ca 0.09 -0.04 -0.21 0.00 -2.00 0.00 0.00 55.36 53.20 1u1w s GLN 258 Cb 0.12 0.13 -0.07 0.00 0.80 0.00 0.00 33.01 33.99 1u1w s GLN 258 CO 0.49 -1.04 0.62 -0.51 -0.50 0.00 0.00 175.29 174.35 1u1w s LEU 259 N 2.13 4.54 -0.07 3.68 1.43 -1.12 -1.90 118.68 127.37 1u1w s LEU 259 Ca 0.15 1.35 0.15 0.00 -1.03 0.00 0.00 54.13 54.75 1u1w s LEU 259 Cb -0.05 -2.99 -0.23 0.00 0.03 0.00 0.00 46.19 42.95 1u1w s LEU 259 CO -0.13 0.25 0.24 0.35 0.23 0.00 0.00 176.35 177.30 1u1w n THR 260 N 1.72 0.38 -3.66 5.49 -2.24 -0.19 -4.98 114.28 110.80 1u1w n THR 260 Ca -0.09 -0.47 -0.11 0.00 -2.27 0.00 0.00 64.05 61.11 1u1w n THR 260 Cb 0.50 -0.14 -0.08 0.00 -2.10 0.00 0.00 70.33 68.51 1u1w n THR 260 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1u1w s ARG 261 N -2.84 0.66 -0.38 -0.78 3.52 -1.18 -5.00 118.95 112.94 1u1w s ARG 261 Ca -0.06 0.94 0.03 0.00 -0.13 0.00 0.00 55.73 56.50 1u1w s ARG 261 Cb 0.08 0.23 0.11 0.00 -1.56 0.00 0.00 34.95 33.81 1u1w s ARG 261 CO 0.65 -0.11 0.12 0.08 -0.81 0.00 0.00 175.30 175.23 1u1w s VAL 262 N 0.84 2.04 -0.15 7.11 1.01 -1.26 -0.82 120.40 129.18 1u1w s VAL 262 Ca -0.04 -2.43 -0.11 0.00 0.00 0.00 0.00 61.98 59.40 1u1w s VAL 262 Cb -0.05 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 1u1w s VAL 262 CO -0.07 -0.68 0.20 -0.70 0.00 0.00 0.00 175.10 173.85 1u1w s GLU 263 N 0.71 4.00 -0.04 2.72 2.12 0.35 -0.57 118.70 127.98 1u1w s GLU 263 Ca 0.13 -0.05 0.02 0.00 0.36 0.00 0.00 54.97 55.43 1u1w s GLU 263 Cb -0.21 -3.35 0.01 0.00 0.26 0.00 0.00 34.13 30.85 1u1w s GLU 263 CO -0.08 0.44 -0.08 0.08 -0.54 0.00 0.00 175.26 175.07 1u1w s VAL 264 N -0.08 0.75 0.15 3.70 1.01 -0.66 -1.41 120.40 123.85 1u1w s VAL 264 Ca 0.14 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.82 1u1w s VAL 264 Cb -0.12 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 1u1w s VAL 264 CO 0.03 0.25 0.01 -0.94 0.00 0.00 0.00 175.10 174.45 1u1w s SER 265 N 0.46 0.89 -0.08 3.32 1.04 -0.07 -0.93 113.70 118.32 1u1w s SER 265 Ca -0.07 -1.16 -0.32 0.00 0.48 0.00 0.00 55.95 54.88 1u1w s SER 265 Cb -0.11 0.17 0.12 0.00 0.10 0.00 0.00 66.02 66.31 1u1w s SER 265 CO 0.01 -0.61 1.22 -0.83 0.98 0.00 0.00 173.24 174.01 1u1w s GLY 266 N -3.11 -0.35 0.67 7.32 0.00 -0.80 -1.51 107.32 109.53 1u1w s GLY 266 Ca 0.22 1.07 -0.11 0.00 0.00 0.00 0.00 44.72 45.89 1u1w s GLY 266 CO 0.02 0.30 1.05 -1.31 0.00 0.00 0.00 173.10 173.16 1u1w s ASN 267 N -2.61 5.69 0.05 1.64 0.01 -1.26 -1.64 114.94 116.82 1u1w s ASN 267 Ca 0.12 1.56 -0.21 0.00 -0.71 0.00 0.00 52.86 53.62 1u1w s ASN 267 Cb 0.02 -2.49 0.05 0.00 0.41 0.00 0.00 41.25 39.24 1u1w s ASN 267 CO -0.04 -1.23 0.48 -0.83 -1.51 0.00 0.00 177.10 173.96 1u1w s GLY 268 N -3.89 -0.37 0.03 0.66 0.00 -0.60 0.17 107.32 103.31 1u1w s GLY 268 Ca 0.57 0.46 -0.01 0.00 0.00 0.00 0.00 44.72 45.74 1u1w s GLY 268 CO 0.54 0.17 -0.01 -1.34 0.00 0.00 0.00 173.10 172.46 1u1w s VAL 269 N -2.58 0.13 -0.11 1.40 -7.23 -0.80 -4.57 120.40 106.65 1u1w s VAL 269 Ca -0.05 -1.11 -0.30 0.00 -1.81 0.00 0.00 61.98 58.72 1u1w s VAL 269 Cb -0.01 -0.58 -0.01 0.00 0.56 0.00 0.00 36.38 36.34 1u1w s VAL 269 CO -0.03 -0.61 1.06 -0.89 -0.31 0.00 0.00 175.10 174.32 1u1w s THR 270 N -2.06 4.65 -0.11 5.32 2.01 -1.26 -0.70 115.64 123.49 1u1w s THR 270 Ca -0.10 1.94 -0.08 0.00 0.31 0.00 0.00 61.69 63.75 1u1w s THR 270 Cb -0.05 -4.24 -0.27 0.00 0.01 0.00 0.00 72.50 67.94 1u1w s THR 270 CO -0.03 -0.01 0.42 0.15 -0.69 0.00 0.00 174.62 174.46 1u1w h PHE 271 N 7.22 0.53 -2.43 4.92 3.57 -1.08 -3.46 116.94 126.21 1u1w h PHE 271 Ca -0.31 -0.39 0.20 0.00 3.53 0.00 0.00 57.97 61.01 1u1w h PHE 271 Cb 1.14 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.82 1u1w h PHE 271 CO 0.72 1.77 0.65 0.20 -2.23 0.00 0.00 178.31 179.42 1u1w s GLY 272 N -5.49 0.05 0.07 2.40 0.00 -1.16 -5.00 107.32 98.19 1u1w s GLY 272 Ca -0.21 -0.23 -0.24 0.00 0.00 0.00 0.00 44.72 44.03 1u1w s GLY 272 CO 0.78 2.98 0.58 1.09 0.00 0.00 0.00 173.10 178.54 1u1w s ARG 273 N -2.17 1.14 0.00 2.90 1.70 -1.26 -0.39 118.95 120.88 1u1w s ARG 273 Ca 0.23 -0.23 0.00 0.00 -0.47 0.00 0.00 55.73 55.26 1u1w s ARG 273 Cb -0.02 0.53 0.00 0.00 -0.57 0.00 0.00 34.95 34.89 1u1w s ARG 273 CO 0.04 -0.44 0.00 0.41 -1.08 0.00 0.00 175.30 174.23 1u1w n GLY 274 N 0.18 1.20 2.96 3.88 0.00 -0.61 -5.00 105.19 107.80 1u1w n GLY 274 Ca -0.18 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 1u1w n GLY 274 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1u1w s THR 275 N -2.31 0.18 0.27 2.61 -1.32 -1.26 -1.18 115.64 112.62 1u1w s THR 275 Ca 0.00 -0.62 0.11 0.00 -1.21 0.00 0.00 61.69 59.96 1u1w s THR 275 Cb 0.00 -0.26 -0.05 0.00 -1.51 0.00 0.00 72.50 70.69 1u1w s THR 275 CO 0.00 -0.28 -0.09 0.27 -2.21 0.00 0.00 174.62 172.30 1u1w s ILE 276 N -0.92 3.02 -2.18 5.08 -4.36 0.48 -4.97 121.20 117.34 1u1w s ILE 276 Ca -0.09 -2.11 0.28 0.00 -0.26 0.00 0.00 60.65 58.47 1u1w s ILE 276 Cb -0.06 -2.60 0.70 0.00 1.25 0.00 0.00 42.46 41.75 1u1w s ILE 276 CO -0.00 -0.37 1.94 1.33 0.24 0.00 0.00 174.94 178.07 1u1w n VAL 277 N -0.73 0.02 -0.66 8.37 0.24 -1.26 -2.54 118.33 121.78 1u1w n VAL 277 Ca -0.06 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1u1w n VAL 277 Cb 0.59 -0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 1u1w n VAL 277 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69