#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pwx n LYS 5 N 0.00 1.74 -3.83 -0.14 5.02 -1.26 -5.05 118.16 114.64 2pwx n LYS 5 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 2pwx n LYS 5 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 34.85 2pwx n LYS 5 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2pwx s MET 6 N 0.00 1.10 0.81 1.97 -2.45 -1.26 -5.13 119.30 114.34 2pwx s MET 6 Ca 0.00 -0.53 -0.11 0.00 -1.25 0.00 0.00 55.69 53.80 2pwx s MET 6 Cb 0.00 -2.09 0.10 0.00 1.25 0.00 0.00 34.83 34.09 2pwx s MET 6 CO 0.00 -0.54 1.16 0.00 1.05 0.00 0.00 175.02 176.69 2pwx s ALA 7 N 1.70 2.72 0.26 4.11 0.00 -1.26 -4.63 121.76 124.65 2pwx s ALA 7 Ca -0.01 -0.85 -0.05 0.00 0.00 0.00 0.00 51.96 51.06 2pwx s ALA 7 Cb -0.16 -2.81 0.02 0.00 0.00 0.00 0.00 23.12 20.16 2pwx s ALA 7 CO -0.07 -1.73 0.42 1.19 0.00 0.00 0.00 175.76 175.57 2pwx n PHE 8 N -3.30 -1.44 0.00 0.00 3.72 -0.89 -4.83 117.46 110.72 2pwx n PHE 8 Ca 0.10 -1.52 0.00 0.00 -0.05 0.00 0.00 57.45 55.98 2pwx n PHE 8 Cb 0.61 0.48 0.00 0.00 -0.94 0.00 0.00 39.48 39.63 2pwx n PHE 8 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2pwx n PRO 9 N -0.39 0.00 -2.78 -1.08 -0.04 -1.26 -2.27 135.00 127.18 2pwx n PRO 9 Ca -0.02 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.36 2pwx n PRO 9 Cb 0.41 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.91 2pwx n PRO 9 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2pwx n SER 10 N 0.00 -5.77 0.31 3.54 3.41 -1.26 -4.48 113.62 109.36 2pwx n SER 10 Ca 0.00 -0.39 0.19 0.00 -0.26 0.00 0.00 58.87 58.41 2pwx n SER 10 Cb 0.00 -4.12 1.01 0.00 -0.26 0.00 0.00 64.21 60.85 2pwx n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pwx h ALA 11 N 0.06 1.10 -0.99 7.33 0.00 -1.99 -1.72 119.26 123.06 2pwx h ALA 11 Ca -0.32 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.60 2pwx h ALA 11 Cb 1.16 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 2pwx h ALA 11 CO 0.30 -0.10 0.65 -0.22 0.00 0.00 0.00 179.25 179.88 2pwx h LYS 12 N 0.00 1.30 0.01 0.00 3.64 -1.96 -2.57 116.57 116.99 2pwx h LYS 12 Ca 0.00 -0.08 -0.27 0.00 -1.27 0.00 0.00 60.65 59.03 2pwx h LYS 12 Cb 0.20 -0.29 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 2pwx h LYS 12 CO 0.00 0.87 -1.46 0.28 -2.27 0.00 0.00 179.45 176.86 2pwx h VAL 13 N 1.34 1.16 0.00 2.00 2.07 -1.67 -3.32 116.25 117.82 2pwx h VAL 13 Ca 0.36 -2.94 -0.02 0.00 0.82 0.00 0.00 66.70 64.92 2pwx h VAL 13 Cb -0.15 2.60 -0.00 0.00 -1.52 0.00 0.00 31.29 32.21 2pwx h VAL 13 CO -0.08 0.69 -0.08 -0.33 0.02 0.00 0.00 177.57 177.79 2pwx h GLU 14 N 0.01 0.00 0.00 1.57 5.08 -1.38 -0.72 114.58 119.14 2pwx h GLU 14 Ca -0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 2pwx h GLU 14 Cb 1.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.18 2pwx h GLU 14 CO 0.10 0.08 0.00 0.78 -1.00 0.00 0.00 179.01 178.97 2pwx h GLY 15 N 0.84 0.00 1.57 -3.84 0.00 -1.56 -3.14 103.07 96.94 2pwx h GLY 15 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2pwx h GLY 15 CO 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 176.54 176.28 2pwx s MET 17 N -3.06 4.62 0.29 0.00 1.00 -1.19 0.46 119.30 121.42 2pwx s MET 17 Ca 0.11 1.26 -0.00 0.00 0.00 0.00 0.00 55.69 57.06 2pwx s MET 17 Cb 0.16 -3.35 -0.02 0.00 0.00 0.00 0.00 34.83 31.62 2pwx s MET 17 CO 0.63 0.32 0.33 0.14 0.00 0.00 0.00 175.02 176.44 2pwx s VAL 18 N -0.30 0.00 0.07 -6.03 -7.23 -0.56 -4.89 120.40 101.47 2pwx s VAL 18 Ca 0.41 -1.81 0.08 0.00 -1.81 0.00 0.00 61.98 58.86 2pwx s VAL 18 Cb -0.22 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.17 2pwx s VAL 18 CO 0.27 0.00 -0.23 -1.10 -0.31 0.00 0.00 175.10 173.73 2pwx s GLN 19 N -3.56 1.37 -0.08 4.82 -0.21 -0.37 0.62 119.66 122.26 2pwx s GLN 19 Ca 0.35 -1.09 0.04 0.00 0.02 0.00 0.00 55.36 54.68 2pwx s GLN 19 Cb 0.02 -1.60 -0.00 0.00 1.00 0.00 0.00 33.01 32.44 2pwx s GLN 19 CO 0.19 0.39 -0.22 0.08 -2.12 0.00 0.00 175.29 173.62 2pwx s VAL 20 N -0.95 1.89 -0.05 1.09 1.01 -0.11 -0.88 120.40 122.40 2pwx s VAL 20 Ca 0.09 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.19 2pwx s VAL 20 Cb -0.10 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 2pwx s VAL 20 CO 0.03 0.52 -0.24 -0.89 0.00 0.00 0.00 175.10 174.53 2pwx s THR 21 N 0.22 1.94 -0.14 3.92 2.01 -0.05 -1.86 115.64 121.67 2pwx s THR 21 Ca -0.13 -1.01 -0.05 0.00 0.31 0.00 0.00 61.69 60.81 2pwx s THR 21 Cb -0.16 -1.63 0.07 0.00 0.01 0.00 0.00 72.50 70.78 2pwx s THR 21 CO 0.06 0.54 0.28 0.00 -0.69 0.00 0.00 174.62 174.82 2pwx n GLY 23 N 5.36 2.81 1.05 0.00 0.00 -1.26 -1.96 105.19 111.18 2pwx n GLY 23 Ca -0.06 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 45.79 2pwx n GLY 23 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pwx n THR 24 N 0.00 1.96 -4.31 2.61 -2.24 -1.26 -4.99 114.28 106.05 2pwx n THR 24 Ca 0.00 -1.51 -0.33 0.00 -2.27 0.00 0.00 64.05 59.94 2pwx n THR 24 Cb 0.00 -0.01 -0.09 0.00 -2.10 0.00 0.00 70.33 68.13 2pwx n THR 24 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2pwx s THR 25 N -2.22 4.09 -0.03 4.28 2.01 -0.83 -5.11 115.64 117.83 2pwx s THR 25 Ca 0.40 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.78 2pwx s THR 25 Cb 0.29 -2.82 0.03 0.00 0.01 0.00 0.00 72.50 70.02 2pwx s THR 25 CO 0.14 0.38 0.01 -0.89 -0.69 0.00 0.00 174.62 173.57 2pwx s THR 26 N -1.07 0.13 0.24 -0.82 2.01 -1.26 -1.31 115.64 113.55 2pwx s THR 26 Ca 0.19 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.33 2pwx s THR 26 Cb -0.11 -0.24 -0.04 0.00 0.01 0.00 0.00 72.50 72.12 2pwx s THR 26 CO 0.10 0.14 0.17 -0.76 -0.69 0.00 0.00 174.62 173.58 2pwx s LEU 27 N 1.11 1.33 0.26 4.42 1.02 -0.78 -4.97 118.68 121.07 2pwx s LEU 27 Ca -0.09 -1.49 -0.25 0.00 0.02 0.00 0.00 54.13 52.32 2pwx s LEU 27 Cb -0.13 0.42 -0.09 0.00 0.02 0.00 0.00 46.19 46.41 2pwx s LEU 27 CO -0.02 -0.90 0.86 0.20 0.02 0.00 0.00 176.35 176.51 2pwx s ASN 28 N -3.22 7.32 0.15 2.29 0.01 -0.67 -0.94 114.94 119.88 2pwx s ASN 28 Ca 0.39 1.71 0.05 0.00 -0.71 0.00 0.00 52.86 54.30 2pwx s ASN 28 Cb 0.06 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 39.15 2pwx s ASN 28 CO 0.16 0.04 -0.11 -0.83 -1.51 0.00 0.00 177.10 174.85 2pwx s GLY 29 N -1.49 1.10 -0.21 0.66 0.00 0.20 -4.41 107.32 103.19 2pwx s GLY 29 Ca 0.45 -1.49 -0.07 0.00 0.00 0.00 0.00 44.72 43.60 2pwx s GLY 29 CO 0.25 -1.59 0.07 -2.27 0.00 0.00 0.00 173.10 169.56 2pwx s LEU 30 N -3.12 3.70 -0.38 0.66 2.96 0.10 -1.49 118.68 121.11 2pwx s LEU 30 Ca 0.17 -0.01 -0.06 0.00 -0.22 0.00 0.00 54.13 54.01 2pwx s LEU 30 Cb 0.02 -1.96 0.08 0.00 0.50 0.00 0.00 46.19 44.83 2pwx s LEU 30 CO 0.01 0.10 0.17 0.86 -1.32 0.00 0.00 176.35 176.18 2pwx s TRP 31 N 0.80 3.38 -0.08 5.38 -0.00 0.17 -0.40 118.94 128.20 2pwx s TRP 31 Ca 0.04 -1.84 0.03 0.00 -0.00 0.00 0.00 56.10 54.33 2pwx s TRP 31 Cb -0.13 -2.78 0.00 0.00 -0.00 0.00 0.00 33.47 30.56 2pwx s TRP 31 CO 0.02 -0.86 -0.19 -0.51 -0.00 0.00 0.00 176.95 175.41 2pwx s LEU 32 N 1.31 1.90 0.00 5.86 1.43 -0.45 -4.66 118.68 124.07 2pwx s LEU 32 Ca 0.02 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 2pwx s LEU 32 Cb -0.22 -1.16 0.00 0.00 0.03 0.00 0.00 46.19 44.85 2pwx s LEU 32 CO -0.00 0.11 0.00 0.47 0.23 0.00 0.00 176.35 177.16 2pwx n ASP 33 N 3.61 0.00 -1.98 2.29 8.00 -1.26 -1.12 116.55 126.08 2pwx n ASP 33 Ca -0.21 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.07 2pwx n ASP 33 Cb 0.52 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.77 2pwx n ASP 33 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2pwx n ASP 34 N 2.06 4.54 -4.21 -2.24 3.85 -1.26 -0.35 116.55 118.93 2pwx n ASP 34 Ca 0.00 -3.71 -0.26 0.00 -0.71 0.00 0.00 54.79 50.11 2pwx n ASP 34 Cb 0.00 -0.79 -0.15 0.00 -1.35 0.00 0.00 41.12 38.83 2pwx n ASP 34 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 2pwx s THR 35 N -3.78 1.56 -0.10 2.12 2.01 -0.28 -1.92 115.64 115.24 2pwx s THR 35 Ca 0.56 -0.94 0.03 0.00 0.31 0.00 0.00 61.69 61.65 2pwx s THR 35 Cb 0.46 -1.31 0.01 0.00 0.01 0.00 0.00 72.50 71.67 2pwx s THR 35 CO 0.05 0.36 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.45 2pwx s VAL 36 N -0.56 1.79 -0.07 3.82 1.01 -0.01 -1.34 120.40 125.04 2pwx s VAL 36 Ca 0.07 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.23 2pwx s VAL 36 Cb -0.08 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 2pwx s VAL 36 CO 0.00 0.50 -0.10 -0.31 0.00 0.00 0.00 175.10 175.19 2pwx s TYR 37 N 0.63 2.83 0.17 5.22 2.02 0.47 -1.31 117.35 127.38 2pwx s TYR 37 Ca -0.13 -0.12 -0.24 0.00 -0.37 0.00 0.00 57.07 56.21 2pwx s TYR 37 Cb -0.16 -1.70 0.06 0.00 -0.40 0.00 0.00 41.96 39.75 2pwx s TYR 37 CO 0.04 0.21 0.74 0.00 -1.57 0.00 0.00 175.55 174.96 2pwx n PRO 39 N -0.40 2.48 0.18 0.00 -0.02 -1.26 0.02 135.00 136.00 2pwx n PRO 39 Ca -0.10 0.88 0.14 0.00 -2.02 0.00 0.00 63.50 62.39 2pwx n PRO 39 Cb 0.62 -2.61 0.56 0.00 -0.02 0.00 0.00 33.50 32.04 2pwx n PRO 39 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 2pwx h ARG 40 N 4.38 0.00 0.00 -0.52 0.11 -1.72 -2.88 114.38 113.75 2pwx h ARG 40 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.61 2pwx h ARG 40 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 2pwx h ARG 40 CO 0.76 0.00 0.00 -2.39 0.10 0.00 0.00 179.97 178.44 2pwx n HIS 41 N -2.49 0.19 -0.26 4.08 1.44 -1.26 -2.48 115.22 114.42 2pwx n HIS 41 Ca 0.02 0.08 0.16 0.00 -2.01 0.00 0.00 57.72 55.97 2pwx n HIS 41 Cb 0.25 -0.62 0.45 0.00 0.12 0.00 0.00 29.99 30.18 2pwx n HIS 41 CO 0.00 0.00 0.00 -0.24 -2.81 0.00 0.00 176.34 173.29 2pwx h VAL 42 N 0.00 0.73 0.00 0.61 3.04 -1.89 0.28 116.25 119.02 2pwx h VAL 42 Ca 0.00 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 2pwx h VAL 42 Cb 0.23 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 29.65 2pwx h VAL 42 CO 0.00 0.10 0.00 2.30 -1.01 0.00 0.00 177.57 178.96 2pwx n ILE 43 N -4.56 0.32 -3.51 3.17 -5.35 -1.04 -4.58 119.36 103.81 2pwx n ILE 43 Ca 0.19 0.08 -0.37 0.00 -0.27 0.00 0.00 62.75 62.38 2pwx n ILE 43 Cb 0.61 -0.75 -0.06 0.00 -1.74 0.00 0.00 39.64 37.71 2pwx n ILE 43 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2pwx s THR 45 N -1.13 2.98 0.28 0.00 -4.23 -1.26 -4.90 115.64 107.38 2pwx s THR 45 Ca 0.25 0.01 0.02 0.00 -1.18 0.00 0.00 61.69 60.79 2pwx s THR 45 Cb -0.16 -3.26 0.28 0.00 1.34 0.00 0.00 72.50 70.70 2pwx s THR 45 CO 0.14 -0.29 1.82 0.00 -0.54 0.00 0.00 174.62 175.75 2pwx h ALA 46 N -0.51 1.53 -0.26 3.99 0.00 -1.98 -1.08 119.26 120.95 2pwx h ALA 46 Ca -0.45 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.34 2pwx h ALA 46 Cb 1.28 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2pwx h ALA 46 CO 0.62 0.16 -0.46 1.49 0.00 0.00 0.00 179.25 181.06 2pwx h GLU 47 N 0.94 0.68 -1.00 0.00 4.81 -2.03 -3.09 114.58 114.88 2pwx h GLU 47 Ca 0.51 -0.38 0.09 0.00 -0.13 0.00 0.00 59.36 59.46 2pwx h GLU 47 Cb 0.57 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.90 2pwx h GLU 47 CO -0.29 0.99 0.64 -0.44 -0.73 0.00 0.00 179.01 179.18 2pwx h ASP 48 N 0.54 0.97 0.00 1.04 3.32 -1.56 -2.26 116.42 118.47 2pwx h ASP 48 Ca 0.03 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2pwx h ASP 48 Cb 1.01 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.39 2pwx h ASP 48 CO 0.09 0.57 0.06 0.24 -1.72 0.00 0.00 179.24 178.49 2pwx h MET 49 N 1.07 0.00 0.00 3.56 2.86 -1.39 -1.97 114.93 119.06 2pwx h MET 49 Ca 0.47 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.11 2pwx h MET 49 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 2pwx h MET 49 CO -0.22 0.00 0.00 -0.07 1.06 0.00 0.00 176.91 177.68 2pwx h LEU 50 N 0.00 0.00 0.00 1.22 3.38 -1.53 0.27 115.31 118.65 2pwx h LEU 50 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2pwx h LEU 50 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2pwx h LEU 50 CO 0.00 0.00 0.00 -3.20 0.09 0.00 0.00 178.44 175.33 2pwx n ASN 51 N -2.48 0.00 -4.87 -0.43 5.15 -0.91 -4.80 115.26 106.92 2pwx n ASN 51 Ca 0.02 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.63 2pwx n ASN 51 Cb 0.24 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.44 2pwx n ASN 51 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2pwx s PRO 52 N 0.00 3.61 -0.57 1.20 0.04 -0.79 -4.98 135.00 133.52 2pwx s PRO 52 Ca 0.00 0.02 -0.09 0.00 0.04 0.00 0.00 61.00 60.98 2pwx s PRO 52 Cb 0.00 -3.15 0.15 0.00 0.04 0.00 0.00 34.50 31.54 2pwx s PRO 52 CO 0.00 0.70 0.44 1.21 0.04 0.00 0.00 177.00 179.39 2pwx s ASN 53 N -1.34 5.81 0.39 6.66 3.84 -1.26 -4.95 114.94 124.09 2pwx s ASN 53 Ca 0.23 -2.24 0.06 0.00 0.21 0.00 0.00 52.86 51.11 2pwx s ASN 53 Cb -0.14 -2.02 0.79 0.00 -0.55 0.00 0.00 41.25 39.34 2pwx s ASN 53 CO 0.11 -0.61 2.03 1.88 -2.79 0.00 0.00 177.10 177.73 2pwx h TYR 54 N 8.05 0.62 -0.86 0.43 -1.99 -1.98 -1.84 116.97 119.39 2pwx h TYR 54 Ca -0.12 0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.65 2pwx h TYR 54 Cb 1.04 -0.21 -0.05 0.00 2.00 0.00 0.00 36.73 39.52 2pwx h TYR 54 CO 0.73 0.38 0.56 0.93 -0.00 0.00 0.00 178.16 180.76 2pwx h GLU 55 N 0.66 1.10 -0.04 4.88 3.07 -1.99 -0.23 114.58 122.03 2pwx h GLU 55 Ca 0.19 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 58.97 2pwx h GLU 55 Cb -0.02 -0.25 0.00 0.00 -0.84 0.00 0.00 28.75 27.64 2pwx h GLU 55 CO -0.05 0.73 -0.07 -0.44 -1.40 0.00 0.00 179.01 177.79 2pwx h ASP 56 N 1.13 0.12 -0.21 1.42 3.32 -1.85 -2.79 116.42 117.56 2pwx h ASP 56 Ca 0.33 -0.56 -0.00 0.00 0.02 0.00 0.00 57.03 56.82 2pwx h ASP 56 Cb -0.07 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2pwx h ASP 56 CO -0.09 0.65 0.12 -0.07 -1.72 0.00 0.00 179.24 178.14 2pwx h LEU 57 N -0.41 0.27 -0.63 1.55 3.38 -1.21 -1.23 115.31 117.03 2pwx h LEU 57 Ca 0.00 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 2pwx h LEU 57 Cb 0.63 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2pwx h LEU 57 CO 0.01 0.22 -0.45 0.25 0.09 0.00 0.00 178.44 178.57 2pwx h LEU 58 N 0.32 0.60 -0.85 1.67 5.85 -1.05 -2.81 115.31 119.03 2pwx h LEU 58 Ca 0.08 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.53 2pwx h LEU 58 Cb 0.01 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 2pwx h LEU 58 CO -0.01 0.96 0.56 0.40 -0.34 0.00 0.00 178.44 180.01 2pwx h ILE 59 N 0.45 1.21 0.00 4.05 1.08 -0.96 -1.23 117.51 122.11 2pwx h ILE 59 Ca 0.03 -0.39 0.00 0.00 -0.39 0.00 0.00 64.86 64.11 2pwx h ILE 59 Cb 0.97 -0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.69 2pwx h ILE 59 CO 0.09 0.21 0.00 0.54 -0.69 0.00 0.00 178.15 178.29 2pwx n ARG 60 N -4.50 0.88 -4.30 2.37 3.00 -0.91 -4.80 116.66 108.40 2pwx n ARG 60 Ca 0.09 0.00 -0.16 0.00 -0.01 0.00 0.00 57.85 57.77 2pwx n ARG 60 Cb 0.02 -1.29 -0.10 0.00 0.00 0.00 0.00 32.46 31.09 2pwx n ARG 60 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2pwx s LYS 61 N -0.56 1.25 0.17 5.56 -0.14 -0.46 -5.06 119.74 120.50 2pwx s LYS 61 Ca 0.00 -1.61 -0.05 0.00 -1.36 0.00 0.00 55.97 52.95 2pwx s LYS 61 Cb 0.00 -0.61 -0.03 0.00 -1.68 0.00 0.00 37.83 35.51 2pwx s LYS 61 CO 0.00 -0.05 0.19 -1.54 -0.76 0.00 0.00 175.35 173.19 2pwx s SER 62 N -3.26 0.15 0.50 2.83 1.04 -1.26 -5.02 113.70 108.67 2pwx s SER 62 Ca 0.25 -1.12 0.29 0.00 0.48 0.00 0.00 55.95 55.85 2pwx s SER 62 Cb 0.05 0.39 1.39 0.00 0.10 0.00 0.00 66.02 67.95 2pwx s SER 62 CO 0.06 -0.85 1.84 0.78 0.98 0.00 0.00 173.24 176.05 2pwx h ASN 63 N 2.64 0.13 1.18 7.02 2.35 -1.93 0.79 115.58 127.76 2pwx h ASN 63 Ca -0.33 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 2pwx h ASN 63 Cb 1.23 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.59 2pwx h ASN 63 CO 0.52 0.03 0.00 -0.74 -1.65 0.00 0.00 177.43 175.59 2pwx h HIS 64 N 0.12 0.00 0.00 1.19 2.76 -1.96 -3.00 115.15 114.25 2pwx h HIS 64 Ca 0.51 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.68 2pwx h HIS 64 Cb 1.79 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.75 2pwx h HIS 64 CO -0.00 0.00 0.00 0.77 -1.30 0.00 0.00 177.93 177.40 2pwx h SER 65 N 0.00 0.00 -3.69 3.26 0.02 -1.22 -3.43 113.55 108.50 2pwx h SER 65 Ca 0.00 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.28 2pwx h SER 65 Cb 0.59 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 62.87 2pwx h SER 65 CO 0.00 0.00 -0.78 -0.36 -1.14 0.00 0.00 176.83 174.55 2pwx s PHE 66 N -3.46 2.74 -0.18 3.45 0.08 -1.14 -4.20 117.98 115.27 2pwx s PHE 66 Ca 0.02 -0.43 -0.00 0.00 0.12 0.00 0.00 56.93 56.63 2pwx s PHE 66 Cb 0.09 -1.73 0.01 0.00 -0.57 0.00 0.00 43.02 40.81 2pwx s PHE 66 CO 0.36 -0.03 -0.14 -1.17 -0.10 0.00 0.00 175.22 174.13 2pwx s LEU 67 N -0.18 2.44 -0.24 -0.37 2.96 -0.55 -4.71 118.68 118.04 2pwx s LEU 67 Ca -0.00 -0.52 -0.06 0.00 -0.22 0.00 0.00 54.13 53.32 2pwx s LEU 67 Cb -0.13 -1.57 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 2pwx s LEU 67 CO 0.03 0.03 0.04 -0.69 -1.32 0.00 0.00 176.35 174.44 2pwx s VAL 68 N 1.17 4.09 -0.10 1.68 1.01 -1.26 -0.87 120.40 126.11 2pwx s VAL 68 Ca 0.01 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.77 2pwx s VAL 68 Cb -0.14 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 2pwx s VAL 68 CO -0.06 0.37 -0.19 -1.10 0.00 0.00 0.00 175.10 174.12 2pwx s GLN 69 N 1.49 3.11 -0.80 2.72 -0.21 -0.06 -0.52 119.66 125.39 2pwx s GLN 69 Ca 0.06 -0.79 0.02 0.00 0.02 0.00 0.00 55.36 54.67 2pwx s GLN 69 Cb -0.15 -2.43 0.23 0.00 1.00 0.00 0.00 33.01 31.66 2pwx s GLN 69 CO 0.02 0.24 0.81 0.00 -2.12 0.00 0.00 175.29 174.24 2pwx n ALA 70 N 3.38 3.99 -0.34 6.09 0.00 0.22 -1.24 120.51 132.62 2pwx n ALA 70 Ca -0.18 -4.67 0.00 0.00 0.00 0.00 0.00 53.44 48.59 2pwx n ALA 70 Cb 0.53 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.58 2pwx n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pwx n GLY 71 N 1.63 1.39 0.61 0.00 0.00 -1.26 -2.11 105.19 105.45 2pwx n GLY 71 Ca 0.25 -0.54 0.01 0.00 0.00 0.00 0.00 46.02 45.74 2pwx n GLY 71 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2pwx n ASN 72 N 5.66 1.51 -4.43 1.61 6.94 -1.26 -4.80 115.26 120.50 2pwx n ASN 72 Ca 0.00 -2.12 -0.32 0.00 -0.02 0.00 0.00 54.58 52.12 2pwx n ASN 72 Cb 0.00 -0.42 -0.14 0.00 -2.36 0.00 0.00 39.78 36.86 2pwx n ASN 72 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2pwx s VAL 73 N -1.43 2.73 -0.08 3.53 1.01 -0.90 -5.13 120.40 120.14 2pwx s VAL 73 Ca 0.09 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 2pwx s VAL 73 Cb 0.06 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 2pwx s VAL 73 CO 0.03 0.53 0.02 -1.58 0.00 0.00 0.00 175.10 174.11 2pwx s GLN 74 N -0.85 3.01 -0.46 2.72 0.74 -1.26 0.70 119.66 124.27 2pwx s GLN 74 Ca 0.12 -0.40 -0.04 0.00 0.05 0.00 0.00 55.36 55.09 2pwx s GLN 74 Cb -0.10 -2.82 0.12 0.00 1.10 0.00 0.00 33.01 31.30 2pwx s GLN 74 CO 0.01 0.70 0.27 -0.51 -0.55 0.00 0.00 175.29 175.22 2pwx s LEU 75 N -0.97 5.37 0.06 3.68 1.43 0.33 -4.94 118.68 123.63 2pwx s LEU 75 Ca 0.14 -2.12 -0.34 0.00 -1.03 0.00 0.00 54.13 50.78 2pwx s LEU 75 Cb -0.11 -1.88 -0.13 0.00 0.03 0.00 0.00 46.19 44.10 2pwx s LEU 75 CO 0.03 -0.56 1.72 -1.14 0.23 0.00 0.00 176.35 176.63 2pwx n ARG 76 N 4.52 2.20 -2.93 1.70 0.63 -1.26 -4.14 116.66 117.38 2pwx n ARG 76 Ca -0.02 0.80 -0.40 0.00 -0.92 0.00 0.00 57.85 57.31 2pwx n ARG 76 Cb 0.41 -2.61 -0.04 0.00 0.45 0.00 0.00 32.46 30.67 2pwx n ARG 76 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2pwx s VAL 77 N 2.29 4.99 -0.52 5.15 1.01 -1.26 -1.59 120.40 130.46 2pwx s VAL 77 Ca 0.85 1.65 0.05 0.00 0.00 0.00 0.00 61.98 64.52 2pwx s VAL 77 Cb -0.67 -4.13 0.09 0.00 0.00 0.00 0.00 36.38 31.67 2pwx s VAL 77 CO 0.43 0.22 0.90 2.30 0.00 0.00 0.00 175.10 178.95 2pwx n ILE 78 N 3.84 0.53 -3.62 2.22 -5.35 0.33 -4.78 119.36 112.53 2pwx n ILE 78 Ca 0.01 -0.77 -0.02 0.00 -0.27 0.00 0.00 62.75 61.70 2pwx n ILE 78 Cb 0.51 0.78 -0.02 0.00 -1.74 0.00 0.00 39.64 39.18 2pwx n ILE 78 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2pwx s GLY 79 N -0.73 -0.26 0.09 3.28 0.00 -1.14 -4.94 107.32 103.62 2pwx s GLY 79 Ca 0.08 1.69 -0.22 0.00 0.00 0.00 0.00 44.72 46.27 2pwx s GLY 79 CO 0.07 0.55 0.55 -2.38 0.00 0.00 0.00 173.10 171.88 2pwx s HIS 80 N -2.18 -0.46 0.08 1.90 -3.43 -1.26 -1.15 115.29 108.79 2pwx s HIS 80 Ca 0.11 0.40 -0.04 0.00 -0.80 0.00 0.00 55.06 54.73 2pwx s HIS 80 Cb -0.00 0.42 0.02 0.00 -1.43 0.00 0.00 32.58 31.58 2pwx s HIS 80 CO -0.03 -0.72 0.22 -1.13 -2.00 0.00 0.00 174.74 171.08 2pwx n SER 81 N 0.07 -0.52 -3.94 7.38 3.41 -0.69 -5.01 113.62 114.33 2pwx n SER 81 Ca -0.18 -1.33 -0.18 0.00 -0.26 0.00 0.00 58.87 56.92 2pwx n SER 81 Cb 0.62 0.85 -0.15 0.00 -0.26 0.00 0.00 64.21 65.27 2pwx n SER 81 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 2pwx s MET 82 N -2.02 0.70 -0.29 4.33 1.75 -1.26 -1.80 119.30 120.71 2pwx s MET 82 Ca 0.05 -0.17 0.01 0.00 -1.25 0.00 0.00 55.69 54.33 2pwx s MET 82 Cb -0.01 -0.69 0.08 0.00 2.84 0.00 0.00 34.83 37.05 2pwx s MET 82 CO 0.02 0.03 0.02 -1.14 -0.65 0.00 0.00 175.02 173.31 2pwx s GLN 83 N 0.40 1.30 5.36 4.11 0.74 0.10 -4.94 119.66 126.72 2pwx s GLN 83 Ca -0.05 -1.30 0.00 0.00 0.05 0.00 0.00 55.36 54.06 2pwx s GLN 83 Cb -0.09 -2.61 0.00 0.00 1.10 0.00 0.00 33.01 31.41 2pwx s GLN 83 CO 0.00 -0.82 0.00 0.09 -0.55 0.00 0.00 175.29 174.01 2pwx n ASN 84 N 4.59 0.00 -1.39 6.67 3.02 -1.26 -0.29 115.26 126.60 2pwx n ASN 84 Ca -0.04 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.59 2pwx n ASN 84 Cb 0.43 0.00 0.30 0.00 -0.61 0.00 0.00 39.78 39.90 2pwx n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pwx s LEU 86 N -1.64 3.34 -0.22 0.00 1.43 0.60 -2.17 118.68 120.02 2pwx s LEU 86 Ca 0.43 -0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.41 2pwx s LEU 86 Cb 0.28 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.63 2pwx s LEU 86 CO 0.20 0.33 0.19 -0.22 0.23 0.00 0.00 176.35 177.08 2pwx s LEU 87 N -1.12 4.16 -0.13 1.79 0.20 0.10 -0.73 118.68 122.95 2pwx s LEU 87 Ca 0.15 0.22 -0.04 0.00 0.69 0.00 0.00 54.13 55.15 2pwx s LEU 87 Cb -0.11 -2.17 -0.04 0.00 -0.43 0.00 0.00 46.19 43.44 2pwx s LEU 87 CO 0.05 0.08 0.03 -0.13 -0.29 0.00 0.00 176.35 176.09 2pwx s ARG 88 N 0.85 3.43 0.01 1.98 0.52 -0.74 -2.60 118.95 122.39 2pwx s ARG 88 Ca 0.10 -0.37 0.04 0.00 -0.52 0.00 0.00 55.73 54.98 2pwx s ARG 88 Cb -0.13 -2.98 -0.01 0.00 0.52 0.00 0.00 34.95 32.35 2pwx s ARG 88 CO 0.03 0.52 -0.13 -0.51 0.02 0.00 0.00 175.30 175.23 2pwx s LEU 89 N -0.36 2.08 -0.22 2.53 1.43 -0.43 -1.71 118.68 122.01 2pwx s LEU 89 Ca 0.08 -0.32 -0.05 0.00 -1.03 0.00 0.00 54.13 52.81 2pwx s LEU 89 Cb -0.12 -0.65 -0.02 0.00 0.03 0.00 0.00 46.19 45.44 2pwx s LEU 89 CO 0.02 0.11 -0.01 -0.75 0.23 0.00 0.00 176.35 175.96 2pwx s LYS 90 N -0.61 3.51 0.35 1.70 2.47 -0.30 -0.83 119.74 126.04 2pwx s LYS 90 Ca 0.04 -0.56 0.07 0.00 -1.56 0.00 0.00 55.97 53.95 2pwx s LYS 90 Cb -0.06 -3.10 -0.01 0.00 -1.46 0.00 0.00 37.83 33.21 2pwx s LYS 90 CO 0.00 -0.13 0.48 0.14 0.16 0.00 0.00 175.35 176.00 2pwx s VAL 91 N 1.36 3.79 -1.63 4.02 -7.23 -0.81 0.12 120.40 120.02 2pwx s VAL 91 Ca 0.04 -1.02 0.06 0.00 -1.81 0.00 0.00 61.98 59.25 2pwx s VAL 91 Cb -0.15 -3.30 0.21 0.00 0.56 0.00 0.00 36.38 33.70 2pwx s VAL 91 CO -0.00 -0.12 1.08 -0.90 -0.31 0.00 0.00 175.10 174.85 2pwx n ASP 92 N -1.67 1.55 -3.59 4.85 3.85 -0.62 -4.75 116.55 116.17 2pwx n ASP 92 Ca 0.02 -2.08 -0.16 0.00 -0.71 0.00 0.00 54.79 51.85 2pwx n ASP 92 Cb 0.58 -0.27 -0.07 0.00 -1.35 0.00 0.00 41.12 40.02 2pwx n ASP 92 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 2pwx s THR 93 N -1.65 0.00 0.18 2.12 -1.32 -1.26 -5.06 115.64 108.64 2pwx s THR 93 Ca 0.15 -0.02 -0.08 0.00 -1.21 0.00 0.00 61.69 60.52 2pwx s THR 93 Cb 0.09 -0.96 -0.06 0.00 -1.51 0.00 0.00 72.50 70.06 2pwx s THR 93 CO 0.08 -0.01 0.48 -0.94 -2.21 0.00 0.00 174.62 172.02 2pwx s SER 94 N -0.51 6.60 -0.18 8.08 1.04 -1.26 -4.52 113.70 122.95 2pwx s SER 94 Ca -0.06 0.81 -0.29 0.00 0.48 0.00 0.00 55.95 56.89 2pwx s SER 94 Cb -0.02 -2.18 -0.05 0.00 0.10 0.00 0.00 66.02 63.87 2pwx s SER 94 CO 0.06 0.01 1.98 0.21 0.98 0.00 0.00 173.24 176.48 2pwx s ASN 95 N -2.26 5.92 0.32 7.02 2.47 0.52 -4.85 114.94 124.08 2pwx s ASN 95 Ca 0.43 1.92 0.24 0.00 0.42 0.00 0.00 52.86 55.88 2pwx s ASN 95 Cb -0.12 -2.52 1.16 0.00 -1.45 0.00 0.00 41.25 38.32 2pwx s ASN 95 CO 0.22 -1.58 1.74 1.55 -3.72 0.00 0.00 177.10 175.30 2pwx h PRO 96 N 12.90 0.00 -0.55 0.43 0.13 -1.95 -2.78 132.00 140.18 2pwx h PRO 96 Ca -0.40 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.41 2pwx h PRO 96 Cb 1.21 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.15 2pwx h PRO 96 CO 0.97 0.00 0.05 1.63 -0.23 0.00 0.00 178.00 180.43 2pwx n LYS 97 N -2.34 2.13 -2.38 0.86 5.02 -1.26 -5.00 118.16 115.19 2pwx n LYS 97 Ca 0.00 -3.26 -0.43 0.00 -2.02 0.00 0.00 58.31 52.60 2pwx n LYS 97 Cb 0.14 -1.96 -0.02 0.00 -0.02 0.00 0.00 35.03 33.16 2pwx n LYS 97 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2pwx s THR 98 N -3.52 4.14 0.82 -0.18 2.01 -1.05 -4.78 115.64 113.08 2pwx s THR 98 Ca 0.49 1.44 -0.10 0.00 0.31 0.00 0.00 61.69 63.83 2pwx s THR 98 Cb 0.43 -3.93 0.18 0.00 0.01 0.00 0.00 72.50 69.19 2pwx s THR 98 CO 0.02 -0.06 1.11 -0.81 -0.69 0.00 0.00 174.62 174.19 2pwx n PRO 99 N 5.89 -0.80 -2.50 4.92 -0.04 -1.26 -4.99 135.00 136.23 2pwx n PRO 99 Ca 0.13 -2.09 -0.43 0.00 -0.04 0.00 0.00 63.50 61.07 2pwx n PRO 99 Cb 0.45 -1.03 -0.02 0.00 -0.04 0.00 0.00 33.50 32.86 2pwx n PRO 99 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2pwx s LYS 100 N -5.39 4.02 0.18 0.54 1.02 -1.26 -4.93 119.74 113.92 2pwx s LYS 100 Ca 0.66 1.26 0.02 0.00 0.02 0.00 0.00 55.97 57.93 2pwx s LYS 100 Cb -0.02 -3.81 -0.05 0.00 -0.52 0.00 0.00 37.83 33.43 2pwx s LYS 100 CO 0.45 -0.97 -0.01 1.52 -0.92 0.00 0.00 175.35 175.42 2pwx s TYR 101 N 3.98 1.25 -0.07 3.18 -0.85 -1.26 0.83 117.35 124.40 2pwx s TYR 101 Ca 0.52 -0.99 -0.17 0.00 -0.52 0.00 0.00 57.07 55.91 2pwx s TYR 101 Cb -0.16 -0.71 0.04 0.00 0.38 0.00 0.00 41.96 41.51 2pwx s TYR 101 CO 0.19 -0.17 0.40 -1.59 -1.52 0.00 0.00 175.55 172.86 2pwx s LYS 102 N -3.90 0.66 -0.18 -3.49 -2.85 -0.72 -4.91 119.74 104.35 2pwx s LYS 102 Ca 0.24 0.16 -0.12 0.00 -1.00 0.00 0.00 55.97 55.25 2pwx s LYS 102 Cb 0.06 0.31 -0.05 0.00 -2.06 0.00 0.00 37.83 36.08 2pwx s LYS 102 CO 0.04 -0.16 0.20 -0.06 0.10 0.00 0.00 175.35 175.47 2pwx s PHE 103 N -0.75 3.43 -0.01 1.78 2.99 -1.26 -0.94 117.98 123.23 2pwx s PHE 103 Ca -0.08 0.44 -0.04 0.00 0.00 0.00 0.00 56.93 57.25 2pwx s PHE 103 Cb -0.04 -2.24 -0.00 0.00 0.00 0.00 0.00 43.02 40.74 2pwx s PHE 103 CO 0.04 0.27 0.09 0.54 -0.00 0.00 0.00 175.22 176.15 2pwx s VAL 104 N 0.41 0.06 -0.11 -0.44 0.11 0.33 -4.93 120.40 115.83 2pwx s VAL 104 Ca 0.12 -0.53 -0.12 0.00 -2.93 0.00 0.00 61.98 58.52 2pwx s VAL 104 Cb -0.12 -0.31 -0.05 0.00 -1.53 0.00 0.00 36.38 34.38 2pwx s VAL 104 CO 0.00 -0.29 0.27 -0.60 -3.33 0.00 0.00 175.10 171.15 2pwx s ARG 105 N -0.95 3.96 0.00 1.54 3.52 -1.26 -3.85 118.95 121.91 2pwx s ARG 105 Ca -0.10 0.09 0.00 0.00 -0.13 0.00 0.00 55.73 55.59 2pwx s ARG 105 Cb -0.06 -3.32 0.00 0.00 -1.56 0.00 0.00 34.95 30.01 2pwx s ARG 105 CO 0.01 0.49 0.00 0.44 -0.81 0.00 0.00 175.30 175.42 2pwx n ILE 106 N 2.74 0.00 -4.15 4.11 -5.35 -1.26 -5.12 119.36 110.34 2pwx n ILE 106 Ca -0.15 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.24 2pwx n ILE 106 Cb 0.53 -0.27 -0.10 0.00 -1.74 0.00 0.00 39.64 38.05 2pwx n ILE 106 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2pwx s GLN 107 N 0.68 0.79 0.54 6.28 -0.21 -1.26 -5.12 119.66 121.35 2pwx s GLN 107 Ca 0.00 -1.32 -0.22 0.00 0.02 0.00 0.00 55.36 53.84 2pwx s GLN 107 Cb 0.00 -0.05 -0.05 0.00 1.00 0.00 0.00 33.01 33.90 2pwx s GLN 107 CO 0.00 -0.07 1.37 -1.25 -2.12 0.00 0.00 175.29 173.22 2pwx s PRO 108 N -3.88 3.17 0.00 2.91 0.04 -1.26 -2.76 135.00 133.22 2pwx s PRO 108 Ca 0.12 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.43 2pwx s PRO 108 Cb 0.06 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.31 2pwx s PRO 108 CO -0.05 -1.18 0.00 0.41 0.04 0.00 0.00 177.00 176.22 2pwx n GLY 109 N 0.72 2.83 3.66 0.56 0.00 -0.94 -4.95 105.19 107.07 2pwx n GLY 109 Ca 0.10 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 2pwx n GLY 109 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pwx s GLN 110 N 0.00 4.21 0.40 1.61 -0.21 -1.11 -4.92 119.66 119.63 2pwx s GLN 110 Ca 0.00 1.90 -0.25 0.00 0.02 0.00 0.00 55.36 57.03 2pwx s GLN 110 Cb 0.00 -3.86 -0.09 0.00 1.00 0.00 0.00 33.01 30.06 2pwx s GLN 110 CO 0.00 -0.77 1.10 0.99 -2.12 0.00 0.00 175.29 174.50 2pwx s THR 111 N 3.72 3.45 0.25 -0.19 2.01 -1.26 -4.50 115.64 119.12 2pwx s THR 111 Ca 0.63 1.16 -0.18 0.00 0.31 0.00 0.00 61.69 63.61 2pwx s THR 111 Cb -0.27 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 68.63 2pwx s THR 111 CO 0.21 0.06 0.61 0.72 -0.69 0.00 0.00 174.62 175.53 2pwx s PHE 112 N -1.53 -0.03 -0.14 4.92 -0.12 0.88 -4.95 117.98 117.01 2pwx s PHE 112 Ca 0.57 -0.37 -0.11 0.00 -0.05 0.00 0.00 56.93 56.98 2pwx s PHE 112 Cb -0.26 0.50 -0.05 0.00 -0.63 0.00 0.00 43.02 42.58 2pwx s PHE 112 CO 0.33 -1.10 0.23 -1.12 -0.05 0.00 0.00 175.22 173.50 2pwx s SER 113 N -2.93 6.42 -0.11 1.98 0.01 0.17 -1.45 113.70 117.78 2pwx s SER 113 Ca 0.14 0.49 0.03 0.00 1.31 0.00 0.00 55.95 57.92 2pwx s SER 113 Cb -0.03 -2.14 0.01 0.00 0.21 0.00 0.00 66.02 64.07 2pwx s SER 113 CO 0.05 0.24 -0.21 -0.69 0.41 0.00 0.00 173.24 173.05 2pwx s VAL 114 N -0.21 1.85 -0.48 3.43 1.01 0.39 -0.35 120.40 126.04 2pwx s VAL 114 Ca 0.15 -0.88 -0.20 0.00 0.00 0.00 0.00 61.98 61.05 2pwx s VAL 114 Cb -0.13 -1.63 0.04 0.00 0.00 0.00 0.00 36.38 34.66 2pwx s VAL 114 CO 0.04 0.51 0.65 -0.22 0.00 0.00 0.00 175.10 176.08 2pwx s LEU 115 N 0.62 4.69 0.38 3.92 2.96 -1.14 0.43 118.68 130.53 2pwx s LEU 115 Ca -0.13 -0.61 -0.20 0.00 -0.22 0.00 0.00 54.13 52.98 2pwx s LEU 115 Cb -0.17 -2.59 -0.10 0.00 0.50 0.00 0.00 46.19 43.83 2pwx s LEU 115 CO 0.04 -0.85 0.88 0.00 -1.32 0.00 0.00 176.35 175.09 2pwx s ALA 116 N 2.79 3.15 0.00 5.97 0.00 -0.75 -4.28 121.76 128.64 2pwx s ALA 116 Ca 0.19 0.30 0.03 0.00 0.00 0.00 0.00 51.96 52.48 2pwx s ALA 116 Cb -0.16 -3.03 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 2pwx s ALA 116 CO 0.16 0.20 -0.09 0.00 0.00 0.00 0.00 175.76 176.03 2pwx s TYR 118 N -0.32 3.25 -1.26 0.00 5.04 -0.23 -4.38 117.35 119.46 2pwx s TYR 118 Ca 0.02 -1.67 -0.10 0.00 -2.44 0.00 0.00 57.07 52.88 2pwx s TYR 118 Cb -0.04 -2.17 -0.01 0.00 0.35 0.00 0.00 41.96 40.09 2pwx s TYR 118 CO -0.00 -0.77 0.65 0.09 -1.34 0.00 0.00 175.55 174.18 2pwx n ASN 119 N 4.70 -2.85 0.00 4.32 3.02 -1.26 -1.05 115.26 122.14 2pwx n ASN 119 Ca -0.13 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.45 2pwx n ASN 119 Cb 0.44 -3.43 0.00 0.00 -0.61 0.00 0.00 39.78 36.18 2pwx n ASN 119 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pwx n GLY 120 N -1.76 1.93 3.55 7.41 0.00 -1.26 -4.96 105.19 110.10 2pwx n GLY 120 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 2pwx n GLY 120 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pwx s SER 121 N -2.77 6.33 0.20 1.61 0.15 -0.21 -4.96 113.70 114.04 2pwx s SER 121 Ca 0.00 -0.09 -0.30 0.00 0.70 0.00 0.00 55.95 56.27 2pwx s SER 121 Cb 0.00 -2.28 -0.16 0.00 -1.71 0.00 0.00 66.02 61.86 2pwx s SER 121 CO 0.00 -0.55 0.76 -2.65 1.20 0.00 0.00 173.24 172.00 2pwx n PRO 122 N 5.86 0.45 -2.58 5.44 -0.02 -1.26 -1.07 135.00 141.83 2pwx n PRO 122 Ca -0.04 0.16 -0.08 0.00 -2.02 0.00 0.00 63.50 61.52 2pwx n PRO 122 Cb 0.49 -1.35 0.04 0.00 -0.02 0.00 0.00 33.50 32.66 2pwx n PRO 122 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2pwx n SER 123 N 1.77 2.65 0.00 2.55 7.64 0.19 -4.78 113.62 123.64 2pwx n SER 123 Ca 0.16 -2.58 0.00 0.00 1.01 0.00 0.00 58.87 57.46 2pwx n SER 123 Cb 0.25 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 2pwx n SER 123 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2pwx n GLY 124 N -0.63 -0.96 3.83 0.23 0.00 -1.26 -4.72 105.19 101.68 2pwx n GLY 124 Ca 0.19 -1.50 -0.36 0.00 0.00 0.00 0.00 46.02 44.34 2pwx n GLY 124 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pwx s VAL 125 N -3.20 5.30 0.09 1.61 -7.23 -0.96 -1.81 120.40 114.19 2pwx s VAL 125 Ca 0.00 0.13 0.10 0.00 -1.81 0.00 0.00 61.98 60.40 2pwx s VAL 125 Cb 0.00 -3.31 -0.03 0.00 0.56 0.00 0.00 36.38 33.60 2pwx s VAL 125 CO 0.00 0.60 -0.25 -0.31 -0.31 0.00 0.00 175.10 174.83 2pwx s TYR 126 N -0.89 2.36 0.27 2.82 2.02 0.17 -2.10 117.35 121.99 2pwx s TYR 126 Ca 0.14 -0.37 -0.21 0.00 -0.37 0.00 0.00 57.07 56.26 2pwx s TYR 126 Cb -0.12 -1.34 -0.09 0.00 -0.40 0.00 0.00 41.96 40.02 2pwx s TYR 126 CO 0.03 0.25 0.80 -1.14 -1.57 0.00 0.00 175.55 173.92 2pwx s GLN 127 N -1.68 4.31 0.05 -0.62 0.74 -1.26 -0.47 119.66 120.73 2pwx s GLN 127 Ca 0.13 0.98 -0.24 0.00 0.05 0.00 0.00 55.36 56.29 2pwx s GLN 127 Cb -0.10 -2.76 0.08 0.00 1.10 0.00 0.00 33.01 31.33 2pwx s GLN 127 CO 0.05 0.31 1.10 0.00 -0.55 0.00 0.00 175.29 176.20 2pwx s ALA 129 N -1.94 -1.74 0.17 0.00 0.00 -1.26 -0.08 121.76 116.90 2pwx s ALA 129 Ca 0.26 1.18 -0.30 0.00 0.00 0.00 0.00 51.96 53.09 2pwx s ALA 129 Cb -0.01 0.14 -0.07 0.00 0.00 0.00 0.00 23.12 23.18 2pwx s ALA 129 CO 0.01 -0.44 1.02 -1.64 0.00 0.00 0.00 175.76 174.71 2pwx s MET 130 N -1.66 4.69 1.14 0.00 -1.94 -1.26 -4.69 119.30 115.58 2pwx s MET 130 Ca -0.09 1.57 -0.13 0.00 -1.71 0.00 0.00 55.69 55.34 2pwx s MET 130 Cb -0.00 -3.31 0.27 0.00 2.01 0.00 0.00 34.83 33.79 2pwx s MET 130 CO 0.06 0.22 1.04 1.03 -0.01 0.00 0.00 175.02 177.36 2pwx s ARG 131 N -0.43 -0.69 0.60 2.03 1.81 0.41 -2.20 118.95 120.48 2pwx s ARG 131 Ca 0.47 0.70 0.29 0.00 -1.72 0.00 0.00 55.73 55.47 2pwx s ARG 131 Cb -0.26 -1.59 1.52 0.00 -0.45 0.00 0.00 34.95 34.17 2pwx s ARG 131 CO 0.33 -3.53 1.93 -1.35 -0.68 0.00 0.00 175.30 171.99 2pwx h PRO 132 N -2.48 0.00 -0.49 3.54 0.11 -1.93 0.38 132.00 131.14 2pwx h PRO 132 Ca -0.61 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.50 2pwx h PRO 132 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 2pwx h PRO 132 CO 0.53 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.59 2pwx n ASN 133 N -3.60 2.56 -0.21 -2.05 0.23 -1.26 -4.93 115.26 106.00 2pwx n ASN 133 Ca 0.06 -2.09 -0.03 0.00 -0.53 0.00 0.00 54.58 51.99 2pwx n ASN 133 Cb 0.57 -0.34 -0.01 0.00 -2.08 0.00 0.00 39.78 37.92 2pwx n ASN 133 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 2pwx n HIS 134 N 0.70 0.00 -2.90 -2.53 8.25 0.13 -4.81 115.22 114.06 2pwx n HIS 134 Ca 0.15 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.41 2pwx n HIS 134 Cb 0.44 -1.23 0.04 0.00 1.12 0.00 0.00 29.99 30.36 2pwx n HIS 134 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2pwx s THR 135 N -1.75 2.58 -0.04 1.59 -4.23 -1.26 -4.67 115.64 107.86 2pwx s THR 135 Ca 0.00 -0.89 0.03 0.00 -1.18 0.00 0.00 61.69 59.64 2pwx s THR 135 Cb 0.00 -2.69 0.01 0.00 1.34 0.00 0.00 72.50 71.16 2pwx s THR 135 CO 0.00 0.00 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.34 2pwx s ILE 136 N -2.61 0.96 -0.32 2.99 1.01 0.21 -0.44 121.20 123.00 2pwx s ILE 136 Ca 0.59 -0.42 -0.11 0.00 0.00 0.00 0.00 60.65 60.70 2pwx s ILE 136 Cb -0.08 -0.87 -0.02 0.00 0.01 0.00 0.00 42.46 41.50 2pwx s ILE 136 CO 0.37 0.30 0.20 -0.75 0.00 0.00 0.00 174.94 175.07 2pwx s LYS 137 N 0.40 3.49 0.00 2.79 2.47 -1.26 -0.30 119.74 127.33 2pwx s LYS 137 Ca -0.08 -0.64 0.00 0.00 -1.56 0.00 0.00 55.97 53.69 2pwx s LYS 137 Cb -0.12 -3.70 0.00 0.00 -1.46 0.00 0.00 37.83 32.55 2pwx s LYS 137 CO 0.02 -0.40 0.00 0.41 0.16 0.00 0.00 175.35 175.53 2pwx n GLY 138 N 5.05 0.03 0.32 5.54 0.00 -1.26 -4.94 105.19 109.93 2pwx n GLY 138 Ca -0.13 0.74 0.16 0.00 0.00 0.00 0.00 46.02 46.78 2pwx n GLY 138 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2pwx h SER 139 N 0.00 0.00 0.06 1.61 0.02 -1.95 -2.10 113.55 111.19 2pwx h SER 139 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2pwx h SER 139 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2pwx h SER 139 CO 0.00 0.00 0.00 2.22 -1.14 0.00 0.00 176.83 177.91 2pwx n PHE 140 N -3.93 0.00 0.75 3.45 1.16 -1.26 -1.70 117.46 115.93 2pwx n PHE 140 Ca 0.00 0.00 0.08 0.00 -1.87 0.00 0.00 57.45 55.66 2pwx n PHE 140 Cb 0.23 -0.11 -0.04 0.00 -1.61 0.00 0.00 39.48 37.95 2pwx n PHE 140 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 2pwx n LEU 141 N -1.11 1.27 -4.72 5.98 4.77 -0.79 -4.56 117.00 117.84 2pwx n LEU 141 Ca 0.06 -0.65 -0.42 0.00 -0.03 0.00 0.00 56.01 54.97 2pwx n LEU 141 Cb 0.04 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 2pwx n LEU 141 CO 0.05 0.26 1.16 0.20 -1.33 0.00 0.00 177.39 177.73 2pwx s ASN 142 N -2.20 6.67 -1.38 -1.43 -0.87 -0.69 -2.66 114.94 112.38 2pwx s ASN 142 Ca 0.10 2.54 -0.03 0.00 -1.57 0.00 0.00 52.86 53.90 2pwx s ASN 142 Cb 0.13 -2.60 0.00 0.00 -0.02 0.00 0.00 41.25 38.77 2pwx s ASN 142 CO 0.53 -0.75 0.42 0.61 -2.57 0.00 0.00 177.10 175.34 2pwx n GLY 143 N 3.39 -0.36 2.49 0.66 0.00 -1.26 -4.92 105.19 105.19 2pwx n GLY 143 Ca 0.12 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 2pwx n GLY 143 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pwx n SER 144 N -1.82 0.26 -4.76 1.61 3.41 -1.09 -4.38 113.62 106.85 2pwx n SER 144 Ca -0.12 -2.93 -0.41 0.00 -0.26 0.00 0.00 58.87 55.14 2pwx n SER 144 Cb 0.62 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 64.53 2pwx n SER 144 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pwx n GLY 146 N 1.47 0.52 3.65 0.00 0.00 -0.09 -1.67 105.19 109.06 2pwx n GLY 146 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 2pwx n GLY 146 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2pwx n SER 147 N 0.00 0.20 -4.36 1.61 7.64 -1.15 -4.48 113.62 113.07 2pwx n SER 147 Ca 0.00 0.44 -0.29 0.00 1.01 0.00 0.00 58.87 60.03 2pwx n SER 147 Cb 0.00 -1.45 -0.14 0.00 -1.01 0.00 0.00 64.21 61.61 2pwx n SER 147 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2pwx s VAL 148 N -2.51 2.17 0.16 0.44 -7.23 -1.26 -0.49 120.40 111.68 2pwx s VAL 148 Ca 0.67 -1.57 0.04 0.00 -1.81 0.00 0.00 61.98 59.31 2pwx s VAL 148 Cb -0.24 -1.89 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 2pwx s VAL 148 CO 0.58 0.21 0.18 -0.83 -0.31 0.00 0.00 175.10 174.92 2pwx s GLY 149 N -1.66 1.73 0.15 2.32 0.00 0.14 -2.89 107.32 107.11 2pwx s GLY 149 Ca 0.13 -1.15 -0.24 0.00 0.00 0.00 0.00 44.72 43.45 2pwx s GLY 149 CO 0.04 -1.16 1.04 -0.11 0.00 0.00 0.00 173.10 172.91 2pwx s PHE 150 N -1.73 -0.00 -0.03 1.90 -0.12 0.53 -2.13 117.98 116.39 2pwx s PHE 150 Ca 0.32 -0.34 -0.01 0.00 -0.05 0.00 0.00 56.93 56.85 2pwx s PHE 150 Cb -0.10 0.67 0.03 0.00 -0.63 0.00 0.00 43.02 42.98 2pwx s PHE 150 CO 0.25 -0.82 0.07 -0.80 -0.05 0.00 0.00 175.22 173.86 2pwx s ASN 151 N -3.23 -0.01 -0.13 1.98 0.01 -0.07 -0.66 114.94 112.83 2pwx s ASN 151 Ca 0.18 0.13 -0.04 0.00 -0.71 0.00 0.00 52.86 52.42 2pwx s ASN 151 Cb -0.02 0.04 -0.04 0.00 0.41 0.00 0.00 41.25 41.65 2pwx s ASN 151 CO 0.03 -0.11 0.03 -0.63 -1.51 0.00 0.00 177.10 174.91 2pwx s ILE 152 N 0.84 4.51 -0.35 0.60 1.01 -1.26 -0.50 121.20 126.06 2pwx s ILE 152 Ca -0.07 -0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.45 2pwx s ILE 152 Cb -0.09 -2.96 0.15 0.00 0.01 0.00 0.00 42.46 39.57 2pwx s ILE 152 CO -0.03 0.54 0.37 1.51 0.00 0.00 0.00 174.94 177.34 2pwx s ASP 153 N -0.31 1.08 0.00 3.58 1.47 -1.26 -5.02 116.67 116.21 2pwx s ASP 153 Ca 0.07 -1.25 0.00 0.00 1.18 0.00 0.00 52.55 52.55 2pwx s ASP 153 Cb -0.12 0.66 0.00 0.00 -0.34 0.00 0.00 42.92 43.12 2pwx s ASP 153 CO 0.02 -0.29 0.00 -1.22 0.68 0.00 0.00 175.17 174.36 2pwx n TYR 154 N 4.59 0.00 -0.08 2.11 4.02 -1.26 -4.84 117.16 121.70 2pwx n TYR 154 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.96 2pwx n TYR 154 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.78 2pwx n TYR 154 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2pwx s VAL 157 N -0.57 4.65 -0.49 0.00 1.01 0.24 -4.45 120.40 120.80 2pwx s VAL 157 Ca 0.00 -0.29 -0.17 0.00 0.00 0.00 0.00 61.98 61.52 2pwx s VAL 157 Cb 0.00 -3.31 0.07 0.00 0.00 0.00 0.00 36.38 33.13 2pwx s VAL 157 CO 0.00 0.14 0.50 -0.44 0.00 0.00 0.00 175.10 175.30 2pwx s SER 158 N 1.64 6.18 -0.13 3.32 0.01 0.35 -1.75 113.70 123.32 2pwx s SER 158 Ca 0.05 -1.13 -0.27 0.00 1.31 0.00 0.00 55.95 55.91 2pwx s SER 158 Cb -0.17 -2.23 -0.02 0.00 0.21 0.00 0.00 66.02 63.82 2pwx s SER 158 CO 0.06 -0.75 0.90 -0.36 0.41 0.00 0.00 173.24 173.50 2pwx s PHE 159 N 2.09 3.48 0.00 2.43 0.08 -0.12 -0.89 117.98 125.06 2pwx s PHE 159 Ca 0.09 1.42 0.00 0.00 0.12 0.00 0.00 56.93 58.56 2pwx s PHE 159 Cb -0.22 -3.08 0.00 0.00 -0.57 0.00 0.00 43.02 39.15 2pwx s PHE 159 CO 0.09 -0.20 0.26 0.00 -0.10 0.00 0.00 175.22 175.27 2pwx s TYR 161 N -0.27 -0.59 -0.09 0.00 5.04 -1.13 -4.53 117.35 115.78 2pwx s TYR 161 Ca 0.00 0.82 -0.04 0.00 -2.44 0.00 0.00 57.07 55.41 2pwx s TYR 161 Cb 0.00 0.46 0.04 0.00 0.35 0.00 0.00 41.96 42.82 2pwx s TYR 161 CO 0.00 -0.66 0.20 1.41 -1.34 0.00 0.00 175.55 175.16 2pwx s MET 162 N -2.02 0.14 0.15 4.97 -2.45 -0.30 0.28 119.30 120.08 2pwx s MET 162 Ca -0.06 0.47 -0.30 0.00 -1.25 0.00 0.00 55.69 54.55 2pwx s MET 162 Cb -0.00 -0.15 -0.07 0.00 1.25 0.00 0.00 34.83 35.85 2pwx s MET 162 CO 0.02 -0.18 1.17 -1.58 1.05 0.00 0.00 175.02 175.50 2pwx s HIS 163 N 1.35 3.47 0.03 4.11 2.46 0.36 -1.50 115.29 125.57 2pwx s HIS 163 Ca -0.08 1.44 0.00 0.00 0.47 0.00 0.00 55.06 56.89 2pwx s HIS 163 Cb -0.11 -3.39 0.00 0.00 -0.13 0.00 0.00 32.58 28.95 2pwx s HIS 163 CO -0.07 -1.06 0.00 0.72 -2.47 0.00 0.00 174.74 171.85 2pwx n HIS 164 N 2.88 -0.05 -4.43 3.88 8.25 -0.91 -0.91 115.22 123.93 2pwx n HIS 164 Ca 0.05 0.01 -0.22 0.00 -0.26 0.00 0.00 57.72 57.30 2pwx n HIS 164 Cb 0.46 0.04 -0.13 0.00 1.12 0.00 0.00 29.99 31.48 2pwx n HIS 164 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2pwx s MET 165 N -2.00 1.10 -0.29 -0.41 -1.94 -0.16 -4.81 119.30 110.79 2pwx s MET 165 Ca 0.00 -0.89 -0.07 0.00 -1.71 0.00 0.00 55.69 53.02 2pwx s MET 165 Cb 0.00 -1.18 0.00 0.00 2.01 0.00 0.00 34.83 35.66 2pwx s MET 165 CO 0.00 0.29 0.09 -1.21 -0.01 0.00 0.00 175.02 174.18 2pwx s GLU 166 N -1.30 3.22 0.54 2.03 2.02 -1.26 -0.84 118.70 123.11 2pwx s GLU 166 Ca 0.04 -0.78 -0.16 0.00 0.02 0.00 0.00 54.97 54.09 2pwx s GLU 166 Cb -0.09 -3.40 -0.06 0.00 0.10 0.00 0.00 34.13 30.68 2pwx s GLU 166 CO 0.02 -0.40 1.01 -0.51 0.02 0.00 0.00 175.26 175.40 2pwx s LEU 167 N 1.54 3.57 0.34 1.80 1.02 0.18 -4.94 118.68 122.19 2pwx s LEU 167 Ca 0.04 1.65 0.26 0.00 0.02 0.00 0.00 54.13 56.09 2pwx s LEU 167 Cb -0.17 -4.52 1.20 0.00 0.02 0.00 0.00 46.19 42.73 2pwx s LEU 167 CO 0.03 -0.79 1.78 1.55 0.02 0.00 0.00 176.35 178.94 2pwx h PRO 168 N 0.71 0.00 -0.09 1.29 0.13 -1.99 -2.39 132.00 129.66 2pwx h PRO 168 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2pwx h PRO 168 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2pwx h PRO 168 CO 0.60 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.62 2pwx n THR 169 N -2.41 0.12 -2.27 1.56 -2.24 -1.26 -4.87 114.28 102.92 2pwx n THR 169 Ca 0.00 -0.13 -0.04 0.00 -2.27 0.00 0.00 64.05 61.61 2pwx n THR 169 Cb 0.16 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 2pwx n THR 169 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pwx n GLY 170 N 0.71 0.35 3.06 3.38 0.00 -0.90 -4.89 105.19 106.89 2pwx n GLY 170 Ca 0.06 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 2pwx n GLY 170 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pwx s VAL 171 N -2.46 0.46 0.09 1.61 0.11 -1.24 -4.57 120.40 114.39 2pwx s VAL 171 Ca 0.03 -1.15 0.07 0.00 -2.93 0.00 0.00 61.98 58.00 2pwx s VAL 171 Cb -0.02 -0.67 -0.04 0.00 -1.53 0.00 0.00 36.38 34.12 2pwx s VAL 171 CO 0.04 -0.47 -0.11 -1.00 -3.33 0.00 0.00 175.10 170.23 2pwx s HIS 172 N -1.70 2.71 -0.03 1.54 0.09 0.59 0.47 115.29 118.97 2pwx s HIS 172 Ca -0.09 -0.17 0.07 0.00 -0.00 0.00 0.00 55.06 54.87 2pwx s HIS 172 Cb -0.08 -1.44 -0.02 0.00 -0.00 0.00 0.00 32.58 31.04 2pwx s HIS 172 CO -0.01 0.40 -0.23 0.00 -0.00 0.00 0.00 174.74 174.90 2pwx s ALA 173 N -1.16 1.98 0.28 -1.40 0.00 -0.02 -0.62 121.76 120.82 2pwx s ALA 173 Ca 0.20 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.21 2pwx s ALA 173 Cb -0.11 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 2pwx s ALA 173 CO 0.12 0.45 0.28 0.41 0.00 0.00 0.00 175.76 177.02 2pwx n GLY 174 N 2.66 2.90 3.72 0.00 0.00 -1.26 -0.98 105.19 112.23 2pwx n GLY 174 Ca -0.16 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 43.75 2pwx n GLY 174 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2pwx s THR 175 N -3.05 1.37 0.58 2.61 -1.32 -0.56 -1.29 115.64 113.98 2pwx s THR 175 Ca 0.32 -2.00 0.03 0.00 -1.21 0.00 0.00 61.69 58.83 2pwx s THR 175 Cb 0.01 -2.39 0.06 0.00 -1.51 0.00 0.00 72.50 68.68 2pwx s THR 175 CO 0.22 0.00 0.80 1.51 -2.21 0.00 0.00 174.62 174.95 2pwx s ASP 176 N -3.83 5.07 0.00 8.08 1.47 -0.69 -1.15 116.67 125.62 2pwx s ASP 176 Ca 0.14 -0.28 0.00 0.00 1.18 0.00 0.00 52.55 53.58 2pwx s ASP 176 Cb 0.04 -0.45 0.00 0.00 -0.34 0.00 0.00 42.92 42.17 2pwx s ASP 176 CO 0.07 -1.30 0.35 0.18 0.68 0.00 0.00 175.17 175.15 2pwx n LEU 177 N -2.38 0.18 -0.39 2.11 7.99 -1.26 -0.50 117.00 122.75 2pwx n LEU 177 Ca 0.11 -0.09 0.05 0.00 -0.01 0.00 0.00 56.01 56.07 2pwx n LEU 177 Cb 0.60 -0.09 0.05 0.00 -0.11 0.00 0.00 43.42 43.87 2pwx n LEU 177 CO 0.43 0.04 0.42 1.21 -1.51 0.00 0.00 177.39 177.98 2pwx n GLU 178 N -0.19 0.58 -0.84 3.23 2.13 -1.26 -4.99 120.64 119.31 2pwx n GLU 178 Ca 0.00 -1.16 0.00 0.00 0.66 0.00 0.00 57.16 56.66 2pwx n GLU 178 Cb 0.04 -1.18 0.00 0.00 0.27 0.00 0.00 31.44 30.57 2pwx n GLU 178 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2pwx n GLY 179 N 0.50 0.66 3.61 8.31 0.00 0.35 -4.44 105.19 114.19 2pwx n GLY 179 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 2pwx n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pwx s LYS 180 N -0.16 4.04 0.40 1.61 -0.14 -1.26 -0.81 119.74 123.41 2pwx s LYS 180 Ca 0.00 0.32 -0.27 0.00 -1.36 0.00 0.00 55.97 54.66 2pwx s LYS 180 Cb 0.00 -3.67 -0.10 0.00 -1.68 0.00 0.00 37.83 32.38 2pwx s LYS 180 CO 0.00 -0.39 1.45 1.19 -0.76 0.00 0.00 175.35 176.84 2pwx n PHE 181 N 5.60 2.85 -2.90 3.18 3.01 -1.26 -1.71 117.46 126.23 2pwx n PHE 181 Ca -0.03 0.45 -0.42 0.00 1.01 0.00 0.00 57.45 58.46 2pwx n PHE 181 Cb 0.50 -2.50 -0.05 0.00 -0.01 0.00 0.00 39.48 37.42 2pwx n PHE 181 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 2pwx s TYR 182 N -1.14 3.14 0.00 1.38 2.02 -0.41 -4.86 117.35 117.47 2pwx s TYR 182 Ca 0.56 0.73 0.00 0.00 -0.37 0.00 0.00 57.07 57.99 2pwx s TYR 182 Cb -0.48 -3.42 0.00 0.00 -0.40 0.00 0.00 41.96 37.67 2pwx s TYR 182 CO 0.62 -0.70 0.00 0.41 -1.57 0.00 0.00 175.55 174.31 2pwx n GLY 183 N 4.34 -1.76 0.50 0.71 0.00 -1.26 -4.48 105.19 103.24 2pwx n GLY 183 Ca 0.05 -1.99 0.07 0.00 0.00 0.00 0.00 46.02 44.15 2pwx n GLY 183 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2pwx n PRO 184 N 0.00 1.63 -2.40 1.61 -0.04 -1.26 -4.96 135.00 129.59 2pwx n PRO 184 Ca 0.00 -0.97 -0.39 0.00 -0.04 0.00 0.00 63.50 62.10 2pwx n PRO 184 Cb 0.00 -1.28 -0.03 0.00 -0.04 0.00 0.00 33.50 32.14 2pwx n PRO 184 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2pwx s PHE 185 N -1.70 3.34 0.37 0.54 0.08 -1.26 -5.06 117.98 114.29 2pwx s PHE 185 Ca 0.24 1.62 0.08 0.00 0.12 0.00 0.00 56.93 59.00 2pwx s PHE 185 Cb 0.13 -3.33 -0.06 0.00 -0.57 0.00 0.00 43.02 39.18 2pwx s PHE 185 CO 0.18 -0.90 0.03 0.14 -0.10 0.00 0.00 175.22 174.56 2pwx s VAL 186 N -1.30 2.37 -0.76 -0.44 -7.23 -1.26 -4.77 120.40 107.01 2pwx s VAL 186 Ca 0.50 -1.96 0.02 0.00 -1.81 0.00 0.00 61.98 58.72 2pwx s VAL 186 Cb -0.31 -2.85 0.35 0.00 0.56 0.00 0.00 36.38 34.12 2pwx s VAL 186 CO 0.40 -0.12 1.48 -0.90 -0.31 0.00 0.00 175.10 175.65 2pwx n ASP 187 N -0.99 6.09 -4.05 4.85 5.75 -1.26 -4.93 116.55 122.01 2pwx n ASP 187 Ca -0.04 -3.72 -0.09 0.00 -0.01 0.00 0.00 54.79 50.92 2pwx n ASP 187 Cb 0.64 -0.84 -0.09 0.00 -1.03 0.00 0.00 41.12 39.80 2pwx n ASP 187 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2pwx s ARG 188 N -3.89 1.02 -0.36 0.11 1.70 -1.26 -4.86 118.95 111.41 2pwx s ARG 188 Ca 0.46 -1.30 -0.10 0.00 -0.47 0.00 0.00 55.73 54.32 2pwx s ARG 188 Cb 0.30 0.31 0.02 0.00 -0.57 0.00 0.00 34.95 35.01 2pwx s ARG 188 CO -0.20 -0.33 0.19 1.14 -1.08 0.00 0.00 175.30 175.02 2pwx s GLN 189 N -4.00 2.95 0.03 3.89 -2.07 0.08 -5.01 119.66 115.53 2pwx s GLN 189 Ca 0.20 -0.99 0.00 0.00 -1.82 0.00 0.00 55.36 52.75 2pwx s GLN 189 Cb 0.05 -3.67 0.00 0.00 -1.09 0.00 0.00 33.01 28.30 2pwx s GLN 189 CO 0.00 -0.62 0.04 0.25 -1.32 0.00 0.00 175.29 173.64 2pwx n THR 190 N 4.98 0.00 -3.10 3.63 -2.24 -1.26 -4.70 114.28 111.60 2pwx n THR 190 Ca -0.12 -0.17 -0.43 0.00 -2.27 0.00 0.00 64.05 61.05 2pwx n THR 190 Cb 0.47 0.10 -0.06 0.00 -2.10 0.00 0.00 70.33 68.74 2pwx n THR 190 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pwx s ALA 191 N -1.77 3.34 -0.02 6.98 0.00 -1.26 -4.84 121.76 124.20 2pwx s ALA 191 Ca 0.03 -1.60 0.03 0.00 0.00 0.00 0.00 51.96 50.41 2pwx s ALA 191 Cb -0.00 -3.41 0.04 0.00 0.00 0.00 0.00 23.12 19.75 2pwx s ALA 191 CO 0.02 -2.05 0.86 0.00 0.00 0.00 0.00 175.76 174.59 2pwx n GLN 192 N 6.41 1.49 -0.06 0.00 10.64 -1.26 -4.77 117.38 129.83 2pwx n GLN 192 Ca -0.05 -1.27 0.10 0.00 -1.83 0.00 0.00 57.00 53.95 2pwx n GLN 192 Cb 0.46 -0.85 0.41 0.00 -0.86 0.00 0.00 30.24 29.40 2pwx n GLN 192 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2pwx n ALA 193 N -0.41 2.54 -1.63 2.61 0.00 -1.26 -4.93 120.51 117.43 2pwx n ALA 193 Ca 0.02 -0.40 -0.49 0.00 0.00 0.00 0.00 53.44 52.58 2pwx n ALA 193 Cb 0.43 -1.14 -0.05 0.00 0.00 0.00 0.00 19.45 18.69 2pwx n ALA 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pwx n ALA 194 N -0.01 0.20 -1.15 0.00 0.00 -1.26 -0.29 120.51 118.00 2pwx n ALA 194 Ca 0.15 0.48 -0.05 0.00 0.00 0.00 0.00 53.44 54.02 2pwx n ALA 194 Cb 0.24 -2.21 -0.02 0.00 0.00 0.00 0.00 19.45 17.46 2pwx n ALA 194 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pwx n GLY 195 N 2.89 0.70 1.02 0.00 0.00 -1.26 -4.86 105.19 103.68 2pwx n GLY 195 Ca 0.17 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 46.07 2pwx n GLY 195 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2pwx n THR 196 N -2.56 0.24 -1.01 2.61 5.66 0.60 -4.44 114.28 115.37 2pwx n THR 196 Ca -0.05 -0.62 0.09 0.00 -3.05 0.00 0.00 64.05 60.42 2pwx n THR 196 Cb 0.32 1.25 0.16 0.00 -1.55 0.00 0.00 70.33 70.50 2pwx n THR 196 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2pwx n ASP 197 N 1.37 2.61 -4.72 1.09 3.85 -1.26 -4.90 116.55 114.59 2pwx n ASP 197 Ca 0.16 -3.02 -0.42 0.00 -0.71 0.00 0.00 54.79 50.80 2pwx n ASP 197 Cb 0.59 -0.43 -0.03 0.00 -1.35 0.00 0.00 41.12 39.90 2pwx n ASP 197 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 2pwx s THR 198 N -2.78 3.66 0.04 2.12 -4.23 -1.26 -4.93 115.64 108.26 2pwx s THR 198 Ca 0.32 1.21 -0.31 0.00 -1.18 0.00 0.00 61.69 61.74 2pwx s THR 198 Cb 0.28 -3.77 -0.06 0.00 1.34 0.00 0.00 72.50 70.28 2pwx s THR 198 CO 0.04 0.10 1.34 -0.89 -0.54 0.00 0.00 174.62 174.67 2pwx s THR 199 N 0.96 3.70 -0.73 3.99 2.01 0.17 -4.82 115.64 120.92 2pwx s THR 199 Ca 0.61 1.16 -0.26 0.00 0.31 0.00 0.00 61.69 63.51 2pwx s THR 199 Cb -0.33 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.43 2pwx s THR 199 CO 0.30 0.05 1.63 -0.51 -0.69 0.00 0.00 174.62 175.40 2pwx s ILE 200 N 1.69 3.54 0.17 1.82 1.10 -1.26 -0.93 121.20 127.33 2pwx s ILE 200 Ca 0.62 0.12 -0.17 0.00 -0.51 0.00 0.00 60.65 60.72 2pwx s ILE 200 Cb -0.32 -4.39 0.12 0.00 0.15 0.00 0.00 42.46 38.02 2pwx s ILE 200 CO 0.28 -1.34 1.65 0.74 -2.11 0.00 0.00 174.94 174.16 2pwx h THR 201 N 6.62 0.52 -0.73 4.00 2.02 -1.92 -2.39 112.91 121.03 2pwx h THR 201 Ca -0.18 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.15 2pwx h THR 201 Cb 1.09 0.52 -0.11 0.00 -1.74 0.00 0.00 68.15 67.91 2pwx h THR 201 CO 1.26 0.00 0.20 0.25 0.37 0.00 0.00 175.52 177.60 2pwx h LEU 202 N -0.03 0.06 -0.41 2.58 5.85 -1.90 -0.76 115.31 120.71 2pwx h LEU 202 Ca 0.21 0.14 -0.07 0.00 0.84 0.00 0.00 57.88 59.00 2pwx h LEU 202 Cb 0.35 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2pwx h LEU 202 CO -0.47 -0.01 -0.03 0.78 -0.34 0.00 0.00 178.44 178.37 2pwx h ASN 203 N 0.30 0.74 -0.80 1.25 2.35 -1.64 -1.77 115.58 116.01 2pwx h ASN 203 Ca 0.41 -0.33 0.04 0.00 -0.55 0.00 0.00 56.30 55.87 2pwx h ASN 203 Cb 0.68 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.80 2pwx h ASN 203 CO -0.48 0.89 0.50 0.58 -1.65 0.00 0.00 177.43 177.27 2pwx h VAL 204 N 0.57 1.10 -0.12 2.81 2.07 -0.93 0.98 116.25 122.73 2pwx h VAL 204 Ca 0.11 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2pwx h VAL 204 Cb 0.53 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 2pwx h VAL 204 CO 0.03 0.18 0.02 -0.07 0.02 0.00 0.00 177.57 177.75 2pwx h LEU 205 N 0.96 0.19 -0.67 2.57 3.38 -1.01 -1.12 115.31 119.61 2pwx h LEU 205 Ca 0.33 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 58.08 2pwx h LEU 205 Cb 0.05 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 2pwx h LEU 205 CO -0.13 0.39 0.41 0.00 0.09 0.00 0.00 178.44 179.20 2pwx h ALA 206 N 0.81 0.87 -0.38 1.53 0.00 -1.05 -0.21 119.26 120.83 2pwx h ALA 206 Ca 0.04 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.98 2pwx h ALA 206 Cb 0.28 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2pwx h ALA 206 CO 0.00 0.17 0.26 2.35 0.00 0.00 0.00 179.25 182.03 2pwx h TRP 207 N 0.81 0.27 -0.15 0.00 7.01 -0.52 -0.21 115.95 123.15 2pwx h TRP 207 Ca 0.27 0.01 -0.17 0.00 2.11 0.00 0.00 58.89 61.11 2pwx h TRP 207 Cb 0.02 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 26.99 2pwx h TRP 207 CO -0.05 0.15 -0.60 -0.07 -2.79 0.00 0.00 178.44 175.08 2pwx h LEU 208 N 0.27 0.58 -0.54 0.65 3.38 0.24 -2.48 115.31 117.40 2pwx h LEU 208 Ca 0.17 -0.33 -0.14 0.00 0.09 0.00 0.00 57.88 57.67 2pwx h LEU 208 Cb 0.32 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2pwx h LEU 208 CO -0.03 1.04 -0.36 1.88 0.09 0.00 0.00 178.44 181.06 2pwx h TYR 209 N 0.38 0.93 -0.21 1.13 0.05 -0.34 -1.65 116.97 117.27 2pwx h TYR 209 Ca -0.00 -0.26 -0.01 0.00 0.05 0.00 0.00 58.73 58.50 2pwx h TYR 209 Cb 1.15 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.68 2pwx h TYR 209 CO 0.05 1.03 0.07 0.00 -1.05 0.00 0.00 178.16 178.25 2pwx h ALA 210 N 0.94 1.74 -0.14 3.88 0.00 -1.01 -2.18 119.26 122.49 2pwx h ALA 210 Ca 0.06 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2pwx h ALA 210 Cb 0.91 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2pwx h ALA 210 CO 0.08 0.21 -0.10 0.00 0.00 0.00 0.00 179.25 179.44 2pwx h ALA 211 N 1.79 0.20 -0.03 0.00 0.00 -0.91 -3.25 119.26 117.06 2pwx h ALA 211 Ca 0.07 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.72 2pwx h ALA 211 Cb 0.09 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 2pwx h ALA 211 CO -0.01 0.04 -0.38 0.28 0.00 0.00 0.00 179.25 179.18 2pwx h VAL 212 N -0.04 0.20 0.00 0.00 2.07 -0.70 -1.93 116.25 115.85 2pwx h VAL 212 Ca 0.03 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.41 2pwx h VAL 212 Cb 0.60 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 2pwx h VAL 212 CO 0.03 0.00 0.16 2.30 0.02 0.00 0.00 177.57 180.08 2pwx n ILE 213 N -5.44 1.87 -1.44 4.57 -5.35 -0.99 -2.32 119.36 110.25 2pwx n ILE 213 Ca -0.05 -0.95 0.00 0.00 -0.27 0.00 0.00 62.75 61.48 2pwx n ILE 213 Cb 0.36 -1.83 0.00 0.00 -1.74 0.00 0.00 39.64 36.43 2pwx n ILE 213 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2pwx n ASN 214 N 2.80 0.00 0.00 7.28 3.02 -0.75 -4.99 115.26 122.62 2pwx n ASN 214 Ca 0.28 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 54.10 2pwx n ASN 214 Cb 0.53 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 2pwx n ASN 214 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pwx n GLY 215 N 0.00 2.76 3.67 7.41 0.00 -0.98 -5.05 105.19 113.00 2pwx n GLY 215 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2pwx n GLY 215 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pwx s ASP 216 N -0.39 6.88 0.00 1.61 1.01 -1.08 -4.74 116.67 119.97 2pwx s ASP 216 Ca 0.00 1.88 0.00 0.00 0.71 0.00 0.00 52.55 55.14 2pwx s ASP 216 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 2pwx s ASP 216 CO 0.00 -0.77 0.00 -2.11 0.21 0.00 0.00 175.17 172.50 2pwx n ARG 217 N 6.41 2.65 0.27 8.23 1.85 -1.26 -3.42 116.66 131.38 2pwx n ARG 217 Ca 0.14 0.00 0.08 0.00 -1.00 0.00 0.00 57.85 57.07 2pwx n ARG 217 Cb 0.44 -0.27 0.41 0.00 -1.05 0.00 0.00 32.46 31.99 2pwx n ARG 217 CO 0.00 0.00 0.00 0.11 -0.01 0.00 0.00 177.63 177.73 2pwx h TRP 218 N 0.00 0.00 -0.13 2.89 5.08 -1.99 0.30 115.95 122.10 2pwx h TRP 218 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2pwx h TRP 218 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 2pwx h TRP 218 CO 0.00 0.00 0.00 1.97 -1.28 0.00 0.00 178.44 179.13 2pwx n PHE 219 N -2.43 0.15 -2.45 0.12 1.16 -1.26 -4.95 117.46 107.79 2pwx n PHE 219 Ca -0.01 -0.07 -0.33 0.00 -1.87 0.00 0.00 57.45 55.17 2pwx n PHE 219 Cb 0.55 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.38 2pwx n PHE 219 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2pwx s LEU 220 N -1.80 3.69 0.11 5.98 1.02 0.10 -4.71 118.68 123.07 2pwx s LEU 220 Ca 0.34 1.65 0.00 0.00 0.02 0.00 0.00 54.13 56.14 2pwx s LEU 220 Cb 0.20 -4.52 0.00 0.00 0.02 0.00 0.00 46.19 41.89 2pwx s LEU 220 CO 0.30 -0.63 0.00 -3.20 0.02 0.00 0.00 176.35 172.84 2pwx n ASN 221 N -1.40 -7.55 0.00 2.29 5.15 -1.26 -5.02 115.26 107.47 2pwx n ASN 221 Ca 0.07 1.21 0.00 0.00 -0.60 0.00 0.00 54.58 55.26 2pwx n ASN 221 Cb 0.54 -4.18 0.00 0.00 -0.53 0.00 0.00 39.78 35.61 2pwx n ASN 221 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 2pwx n THR 225 N 1.45 0.00 -4.05 -0.44 5.66 -1.26 -4.34 114.28 111.30 2pwx n THR 225 Ca 0.00 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.76 2pwx n THR 225 Cb 0.00 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.71 2pwx n THR 225 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2pwx s THR 226 N -2.36 2.32 0.00 1.09 -1.32 -1.26 -4.80 115.64 109.31 2pwx s THR 226 Ca 0.00 -1.64 0.00 0.00 -1.21 0.00 0.00 61.69 58.84 2pwx s THR 226 Cb 0.00 -2.96 0.00 0.00 -1.51 0.00 0.00 72.50 68.03 2pwx s THR 226 CO 0.00 0.00 0.73 -0.11 -2.21 0.00 0.00 174.62 173.03 2pwx n LEU 227 N -1.30 0.00 -0.36 9.08 0.00 -1.26 -0.39 117.00 122.77 2pwx n LEU 227 Ca -0.01 0.73 0.08 0.00 0.00 0.00 0.00 56.01 56.81 2pwx n LEU 227 Cb 0.64 -0.23 0.17 0.00 0.00 0.00 0.00 43.42 44.00 2pwx n LEU 227 CO 0.45 -0.23 0.68 0.59 0.00 0.00 0.00 177.39 178.88 2pwx n ASN 228 N -1.33 -0.32 -0.23 1.96 5.03 -1.26 0.47 115.26 119.59 2pwx n ASN 228 Ca 0.00 1.71 -0.06 0.00 0.87 0.00 0.00 54.58 57.10 2pwx n ASN 228 Cb 0.00 -0.54 0.04 0.00 -1.02 0.00 0.00 39.78 38.26 2pwx n ASN 228 CO 0.00 0.00 0.00 -0.78 -1.83 0.00 0.00 177.26 174.65 2pwx h ASP 229 N 0.00 0.81 -0.17 6.41 1.82 -1.97 -3.06 116.42 120.26 2pwx h ASP 229 Ca 0.50 -0.10 -0.00 0.00 -0.39 0.00 0.00 57.03 57.03 2pwx h ASP 229 Cb 0.82 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.62 2pwx h ASP 229 CO -1.01 0.68 0.09 0.15 -1.61 0.00 0.00 179.24 177.54 2pwx h PHE 230 N 0.87 0.23 -0.22 0.28 3.57 0.29 -2.82 116.94 119.14 2pwx h PHE 230 Ca 0.22 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.78 2pwx h PHE 230 Cb 0.06 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 2pwx h PHE 230 CO -0.01 0.23 0.25 -0.91 -2.23 0.00 0.00 178.31 175.65 2pwx h ASN 231 N 0.16 0.00 -0.74 0.41 2.35 -1.00 0.18 115.58 116.94 2pwx h ASN 231 Ca 0.06 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 2pwx h ASN 231 Cb 0.08 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.41 2pwx h ASN 231 CO -0.01 0.00 0.43 -0.07 -1.65 0.00 0.00 177.43 176.13 2pwx h LEU 232 N 0.00 0.91 -0.74 1.61 3.38 -1.45 0.36 115.31 119.37 2pwx h LEU 232 Ca 0.11 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 2pwx h LEU 232 Cb 0.61 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2pwx h LEU 232 CO -0.00 0.72 -0.43 0.58 0.09 0.00 0.00 178.44 179.40 2pwx h VAL 233 N 1.02 1.31 -0.59 1.22 2.07 -0.78 -2.52 116.25 117.98 2pwx h VAL 233 Ca 0.26 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 66.19 2pwx h VAL 233 Cb -0.00 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 2pwx h VAL 233 CO -0.05 0.49 0.38 0.00 0.02 0.00 0.00 177.57 178.42 2pwx h ALA 234 N 1.18 0.75 0.07 1.67 0.00 -0.13 -2.31 119.26 120.48 2pwx h ALA 234 Ca 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2pwx h ALA 234 Cb 0.90 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2pwx h ALA 234 CO 0.08 0.19 -0.03 0.52 0.00 0.00 0.00 179.25 180.00 2pwx h MET 235 N 0.80 -0.09 -0.73 0.00 2.07 -0.11 0.65 114.93 117.51 2pwx h MET 235 Ca 0.21 0.01 0.03 0.00 -2.07 0.00 0.00 59.70 57.88 2pwx h MET 235 Cb -0.08 0.02 -0.05 0.00 -1.87 0.00 0.00 31.60 29.62 2pwx h MET 235 CO -0.05 -0.04 0.46 -0.22 1.07 0.00 0.00 176.91 178.13 2pwx h LYS 236 N -0.11 0.86 -0.64 1.72 3.64 -1.23 -2.94 116.57 117.89 2pwx h LYS 236 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2pwx h LYS 236 Cb 0.09 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 2pwx h LYS 236 CO 0.02 0.57 0.00 0.66 -2.27 0.00 0.00 179.45 178.43 2pwx n TYR 237 N -4.65 1.20 -3.70 1.91 4.02 -0.89 -4.94 117.16 110.11 2pwx n TYR 237 Ca 0.08 -0.46 -0.24 0.00 -0.01 0.00 0.00 57.90 57.28 2pwx n TYR 237 Cb 0.09 -0.24 0.05 0.00 -0.02 0.00 0.00 39.34 39.22 2pwx n TYR 237 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2pwx n ASN 238 N 0.68 -3.24 -4.90 7.72 5.15 -0.99 -4.81 115.26 114.87 2pwx n ASN 238 Ca 0.19 -0.73 -0.21 0.00 -0.60 0.00 0.00 54.58 53.23 2pwx n ASN 238 Cb 0.75 -4.35 -0.03 0.00 -0.53 0.00 0.00 39.78 35.62 2pwx n ASN 238 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2pwx s TYR 239 N -3.45 3.22 0.10 1.20 1.51 0.19 -0.66 117.35 119.45 2pwx s TYR 239 Ca 0.29 -0.10 -0.30 0.00 -1.01 0.00 0.00 57.07 55.95 2pwx s TYR 239 Cb -0.14 -1.55 -0.06 0.00 -0.11 0.00 0.00 41.96 40.11 2pwx s TYR 239 CO 0.79 0.42 1.04 -2.00 -1.11 0.00 0.00 175.55 174.69 2pwx s GLU 240 N -3.93 4.60 -0.05 -0.62 2.12 -0.11 -4.44 118.70 116.27 2pwx s GLU 240 Ca 0.35 1.57 -0.33 0.00 0.36 0.00 0.00 54.97 56.92 2pwx s GLU 240 Cb -0.08 -3.36 -0.11 0.00 0.26 0.00 0.00 34.13 30.84 2pwx s GLU 240 CO 0.27 0.05 1.91 -2.30 -0.54 0.00 0.00 175.26 174.65 2pwx n PRO 241 N 3.07 2.40 -2.38 4.30 -0.02 -1.26 -4.43 135.00 136.67 2pwx n PRO 241 Ca 0.04 0.88 -0.42 0.00 -2.02 0.00 0.00 63.50 61.98 2pwx n PRO 241 Cb 0.48 -2.76 -0.03 0.00 -0.02 0.00 0.00 33.50 31.17 2pwx n PRO 241 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2pwx s LEU 242 N 4.18 4.42 0.42 2.45 2.96 -1.26 -5.04 118.68 126.82 2pwx s LEU 242 Ca 0.92 2.16 0.07 0.00 -0.22 0.00 0.00 54.13 57.06 2pwx s LEU 242 Cb -0.61 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.45 2pwx s LEU 242 CO 0.49 -0.42 0.26 0.42 -1.32 0.00 0.00 176.35 175.77 2pwx s THR 243 N 0.40 2.36 0.29 3.68 -4.23 -1.26 -4.97 115.64 111.91 2pwx s THR 243 Ca 0.56 -1.57 0.02 0.00 -1.18 0.00 0.00 61.69 59.51 2pwx s THR 243 Cb -0.32 -2.93 0.09 0.00 1.34 0.00 0.00 72.50 70.68 2pwx s THR 243 CO 0.34 0.00 1.76 -0.61 -0.54 0.00 0.00 174.62 175.56 2pwx h GLN 244 N 1.25 0.56 -0.29 3.99 5.75 -1.99 -1.98 115.11 122.40 2pwx h GLN 244 Ca -0.42 -0.18 -0.02 0.00 -0.15 0.00 0.00 58.65 57.88 2pwx h GLN 244 Cb 1.26 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.75 2pwx h GLN 244 CO 0.65 0.69 0.09 -0.44 -2.65 0.00 0.00 178.83 177.17 2pwx h ASP 245 N 0.51 0.37 0.21 -0.69 3.32 -1.98 0.31 116.42 118.46 2pwx h ASP 245 Ca 0.09 -0.04 -0.16 0.00 0.02 0.00 0.00 57.03 56.94 2pwx h ASP 245 Cb 0.56 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 2pwx h ASP 245 CO 0.04 0.36 -0.61 0.45 -1.72 0.00 0.00 179.24 177.75 2pwx h HIS 246 N 0.41 0.51 -0.30 4.55 3.86 -1.77 -2.21 115.15 120.20 2pwx h HIS 246 Ca 0.10 -0.20 -0.12 0.00 -1.16 0.00 0.00 60.37 59.00 2pwx h HIS 246 Cb 0.13 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 2pwx h HIS 246 CO 0.00 0.91 -0.26 0.28 0.86 0.00 0.00 177.93 179.72 2pwx h VAL 247 N 0.29 1.30 -0.24 2.45 2.07 -0.79 -2.95 116.25 118.38 2pwx h VAL 247 Ca -0.01 -1.42 0.06 0.00 0.82 0.00 0.00 66.70 66.15 2pwx h VAL 247 Cb 1.15 1.53 -0.07 0.00 -1.52 0.00 0.00 31.29 32.38 2pwx h VAL 247 CO 0.10 0.46 -0.22 0.44 0.02 0.00 0.00 177.57 178.37 2pwx h ASP 248 N 0.47 -0.71 -0.90 0.57 3.45 -0.27 -2.04 116.42 116.99 2pwx h ASP 248 Ca 0.05 0.13 0.09 0.00 0.43 0.00 0.00 57.03 57.74 2pwx h ASP 248 Cb 0.83 0.34 -0.07 0.00 -0.56 0.00 0.00 39.33 39.87 2pwx h ASP 248 CO 0.07 -0.26 0.54 0.40 -1.57 0.00 0.00 179.24 178.42 2pwx h ILE 249 N -0.22 0.95 0.00 0.35 2.04 -1.36 -0.67 117.51 118.59 2pwx h ILE 249 Ca 0.14 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2pwx h ILE 249 Cb 0.43 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 2pwx h ILE 249 CO -0.37 0.17 0.00 0.18 0.00 0.00 0.00 178.15 178.12 2pwx n LEU 250 N -4.66 0.00 0.38 1.44 4.77 -0.79 -4.08 117.00 114.07 2pwx n LEU 250 Ca 0.15 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.95 2pwx n LEU 250 Cb 0.27 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.27 2pwx n LEU 250 CO 0.28 0.00 0.53 1.23 -1.33 0.00 0.00 177.39 178.10 2pwx h GLY 251 N 4.91 -1.24 0.03 -0.72 0.00 -0.88 0.12 103.07 105.30 2pwx h GLY 251 Ca 0.00 0.51 0.21 0.00 0.00 0.00 0.00 47.33 48.05 2pwx h GLY 251 CO 0.00 -0.42 0.61 -2.55 0.00 0.00 0.00 176.54 174.19 2pwx h PRO 252 N -1.07 0.63 -0.17 4.80 0.11 -1.80 0.27 132.00 134.77 2pwx h PRO 252 Ca -0.09 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.85 2pwx h PRO 252 Cb 0.86 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.82 2pwx h PRO 252 CO 0.09 0.42 -0.45 -0.07 -0.21 0.00 0.00 178.00 177.78 2pwx h LEU 253 N 0.65 0.45 -0.66 2.35 3.38 -1.75 -2.63 115.31 117.10 2pwx h LEU 253 Ca 0.59 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 58.22 2pwx h LEU 253 Cb 1.07 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 2pwx h LEU 253 CO -0.39 0.84 -0.42 -1.28 0.09 0.00 0.00 178.44 177.28 2pwx h SER 254 N 0.34 0.60 0.00 -0.43 0.87 0.21 -2.96 113.55 112.18 2pwx h SER 254 Ca 0.02 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2pwx h SER 254 Cb 0.92 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 2pwx h SER 254 CO 0.08 0.94 0.00 0.00 -0.53 0.00 0.00 176.83 177.32 2pwx n ALA 255 N -2.50 -0.16 -0.01 6.23 0.00 0.56 -0.79 120.51 123.83 2pwx n ALA 255 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.40 2pwx n ALA 255 Cb 0.52 0.14 -0.01 0.00 0.00 0.00 0.00 19.45 20.10 2pwx n ALA 255 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2pwx h GLN 256 N 0.00 -0.06 -1.06 0.00 4.15 -1.60 -2.17 115.11 114.38 2pwx h GLN 256 Ca 0.00 0.00 0.32 0.00 0.77 0.00 0.00 58.65 59.74 2pwx h GLN 256 Cb 0.00 0.01 -0.13 0.00 0.21 0.00 0.00 27.48 27.57 2pwx h GLN 256 CO 0.00 -0.04 0.63 1.79 -1.93 0.00 0.00 178.83 179.29 2pwx h THR 257 N -0.06 0.35 0.00 2.39 1.35 -1.61 -3.45 112.91 111.88 2pwx h THR 257 Ca 0.01 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 2pwx h THR 257 Cb 0.08 -0.02 0.00 0.00 -1.73 0.00 0.00 68.15 66.48 2pwx h THR 257 CO -0.08 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 175.87 2pwx n GLY 258 N -1.36 1.04 3.67 5.82 0.00 0.03 -5.04 105.19 109.35 2pwx n GLY 258 Ca 0.31 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.97 2pwx n GLY 258 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pwx s ILE 259 N -2.78 5.28 0.56 -0.61 1.09 -1.23 -5.01 121.20 118.50 2pwx s ILE 259 Ca 0.00 0.15 -0.19 0.00 -1.10 0.00 0.00 60.65 59.51 2pwx s ILE 259 Cb 0.00 -3.44 -0.05 0.00 -1.06 0.00 0.00 42.46 37.91 2pwx s ILE 259 CO 0.00 0.38 1.16 0.00 -0.10 0.00 0.00 174.94 176.38 2pwx s ALA 260 N 0.82 2.64 0.11 9.38 0.00 -1.26 -4.58 121.76 128.87 2pwx s ALA 260 Ca 0.07 0.89 -0.34 0.00 0.00 0.00 0.00 51.96 52.59 2pwx s ALA 260 Cb -0.13 -3.39 -0.13 0.00 0.00 0.00 0.00 23.12 19.47 2pwx s ALA 260 CO 0.02 -0.91 1.56 0.28 0.00 0.00 0.00 175.76 176.72 2pwx h VAL 261 N 1.09 0.03 -0.21 0.00 2.07 -1.95 -0.37 116.25 116.91 2pwx h VAL 261 Ca -0.50 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.08 2pwx h VAL 261 Cb 1.27 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2pwx h VAL 261 CO 0.56 0.00 0.29 -0.07 0.02 0.00 0.00 177.57 178.37 2pwx h LEU 262 N -0.68 0.00 0.00 2.57 4.07 -1.93 0.78 115.31 120.12 2pwx h LEU 262 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2pwx h LEU 262 Cb 0.72 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.46 2pwx h LEU 262 CO -0.33 0.00 -0.23 0.44 -1.08 0.00 0.00 178.44 177.24 2pwx h ASP 263 N 0.00 0.00 0.34 -0.43 5.19 -1.41 -1.99 116.42 118.12 2pwx h ASP 263 Ca 0.10 -0.08 -0.33 0.00 -0.62 0.00 0.00 57.03 56.11 2pwx h ASP 263 Cb 0.68 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.19 2pwx h ASP 263 CO -0.00 0.04 -1.65 0.24 -3.12 0.00 0.00 179.24 174.75 2pwx h MET 264 N 0.00 0.29 -0.73 3.56 2.86 0.14 -2.98 114.93 118.07 2pwx h MET 264 Ca 0.00 -0.50 -0.06 0.00 -2.06 0.00 0.00 59.70 57.08 2pwx h MET 264 Cb 0.75 0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.57 2pwx h MET 264 CO 0.00 1.17 0.24 0.00 1.06 0.00 0.00 176.91 179.37 2pwx h ALA 266 N 1.12 1.38 -0.11 0.00 0.00 -1.44 0.96 119.26 121.17 2pwx h ALA 266 Ca 0.24 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2pwx h ALA 266 Cb 0.30 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2pwx h ALA 266 CO -0.01 0.44 -0.04 0.00 0.00 0.00 0.00 179.25 179.63 2pwx h ALA 267 N 1.50 0.15 0.03 0.00 0.00 -1.05 -2.71 119.26 117.19 2pwx h ALA 267 Ca 0.13 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2pwx h ALA 267 Cb 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2pwx h ALA 267 CO 0.00 -0.08 -0.02 1.25 0.00 0.00 0.00 179.25 180.40 2pwx h LEU 268 N -0.12 -0.04 -1.36 0.00 6.46 0.44 -2.32 115.31 118.38 2pwx h LEU 268 Ca 0.03 -0.10 0.26 0.00 -0.12 0.00 0.00 57.88 57.95 2pwx h LEU 268 Cb 0.49 0.01 -0.09 0.00 -0.73 0.00 0.00 40.66 40.33 2pwx h LEU 268 CO 0.01 0.08 0.67 0.50 -0.62 0.00 0.00 178.44 179.08 2pwx h LYS 269 N -0.15 0.39 -0.02 1.25 3.64 0.93 0.14 116.57 122.74 2pwx h LYS 269 Ca -0.00 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2pwx h LYS 269 Cb 0.14 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2pwx h LYS 269 CO 0.01 0.26 -0.03 0.93 -2.27 0.00 0.00 179.45 178.34 2pwx h GLU 270 N 0.40 0.06 -0.49 1.90 4.39 -1.12 -1.77 114.58 117.94 2pwx h GLU 270 Ca 0.59 -0.03 0.09 0.00 0.34 0.00 0.00 59.36 60.35 2pwx h GLU 270 Cb 1.50 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.12 2pwx h GLU 270 CO -0.30 0.60 0.33 -0.07 -1.16 0.00 0.00 179.01 178.41 2pwx h LEU 271 N -0.48 0.25 -0.02 1.33 3.38 -0.53 1.09 115.31 120.33 2pwx h LEU 271 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2pwx h LEU 271 Cb 0.59 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2pwx h LEU 271 CO 0.01 0.15 -0.10 -0.07 0.09 0.00 0.00 178.44 178.52 2pwx h LEU 272 N 0.28 0.12 -0.49 1.67 3.38 -0.75 -2.82 115.31 116.69 2pwx h LEU 272 Ca 0.22 -0.68 -0.14 0.00 0.09 0.00 0.00 57.88 57.37 2pwx h LEU 272 Cb 0.52 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2pwx h LEU 272 CO -0.05 0.77 -0.69 1.56 0.09 0.00 0.00 178.44 180.13 2pwx h GLN 273 N -0.53 0.00 -2.93 1.13 4.20 -0.77 -3.38 115.11 112.83 2pwx h GLN 273 Ca -0.01 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.10 2pwx h GLN 273 Cb 0.77 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.15 2pwx h GLN 273 CO 0.02 0.69 -0.76 -0.80 -0.67 0.00 0.00 178.83 177.31 2pwx s ASN 274 N -6.71 3.53 1.16 1.46 0.01 0.37 -5.08 114.94 109.68 2pwx s ASN 274 Ca 0.00 -2.49 -0.13 0.00 -0.71 0.00 0.00 52.86 49.53 2pwx s ASN 274 Cb 0.11 -0.90 0.28 0.00 0.41 0.00 0.00 41.25 41.16 2pwx s ASN 274 CO 0.77 -0.28 1.03 -0.83 -1.51 0.00 0.00 177.10 176.27 2pwx s GLY 275 N 0.56 1.54 0.00 0.66 0.00 -1.07 -4.04 107.32 104.97 2pwx s GLY 275 Ca 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.69 2pwx s GLY 275 CO -0.00 0.53 0.00 1.03 0.00 0.00 0.00 173.10 174.65 2pwx n MET 276 N -4.88 1.50 -4.72 2.90 2.81 -1.26 -5.03 117.12 108.43 2pwx n MET 276 Ca 0.03 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.59 2pwx n MET 276 Cb 0.55 0.00 -0.14 0.00 -0.71 0.00 0.00 33.22 32.92 2pwx n MET 276 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2pwx s THR 280 N 0.00 3.15 -0.11 2.03 2.01 -1.26 -5.19 115.64 116.26 2pwx s THR 280 Ca 0.00 -0.63 -0.02 0.00 0.31 0.00 0.00 61.69 61.36 2pwx s THR 280 Cb 0.00 -2.33 0.04 0.00 0.01 0.00 0.00 72.50 70.22 2pwx s THR 280 CO 0.00 0.52 0.01 -0.63 -0.69 0.00 0.00 174.62 173.83 2pwx s ILE 281 N 0.37 0.46 -1.55 1.82 1.01 0.12 -4.74 121.20 118.69 2pwx s ILE 281 Ca -0.10 -0.09 -0.04 0.00 0.00 0.00 0.00 60.65 60.42 2pwx s ILE 281 Cb -0.16 -0.70 0.00 0.00 0.01 0.00 0.00 42.46 41.61 2pwx s ILE 281 CO 0.05 0.14 0.47 0.18 0.00 0.00 0.00 174.94 175.78 2pwx n LEU 282 N 5.11 -2.51 0.00 2.97 4.77 -1.26 -1.89 117.00 124.19 2pwx n LEU 282 Ca -0.08 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 2pwx n LEU 282 Cb 0.49 -2.88 0.00 0.00 -2.33 0.00 0.00 43.42 38.70 2pwx n LEU 282 CO 0.12 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 2pwx n GLY 283 N -1.41 1.97 3.76 -0.72 0.00 -1.26 -4.98 105.19 102.55 2pwx n GLY 283 Ca -0.14 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 2pwx n GLY 283 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pwx s SER 284 N 0.09 7.26 0.00 1.61 0.15 -0.79 -4.93 113.70 117.10 2pwx s SER 284 Ca 0.00 2.22 0.21 0.00 0.70 0.00 0.00 55.95 59.09 2pwx s SER 284 Cb 0.00 -2.62 0.55 0.00 -1.71 0.00 0.00 66.02 62.24 2pwx s SER 284 CO 0.00 -0.14 1.45 0.35 1.20 0.00 0.00 173.24 176.10 2pwx n THR 285 N 1.12 0.41 -4.27 6.45 -2.24 -1.26 0.16 114.28 114.65 2pwx n THR 285 Ca -0.01 -0.58 -0.19 0.00 -2.27 0.00 0.00 64.05 61.00 2pwx n THR 285 Cb 0.45 0.68 -0.11 0.00 -2.10 0.00 0.00 70.33 69.25 2pwx n THR 285 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2pwx s ILE 286 N -1.59 1.45 -0.76 2.28 -1.09 -1.26 -4.85 121.20 115.37 2pwx s ILE 286 Ca 0.36 -1.80 -0.27 0.00 -2.23 0.00 0.00 60.65 56.71 2pwx s ILE 286 Cb 0.20 -1.64 0.03 0.00 -1.58 0.00 0.00 42.46 39.47 2pwx s ILE 286 CO 0.29 -0.42 1.29 -0.76 -1.23 0.00 0.00 174.94 174.10 2pwx s LEU 287 N -2.58 3.22 0.27 2.97 1.43 -1.26 -4.91 118.68 117.83 2pwx s LEU 287 Ca 0.11 -0.55 -0.30 0.00 -1.03 0.00 0.00 54.13 52.37 2pwx s LEU 287 Cb -0.04 -2.56 -0.10 0.00 0.03 0.00 0.00 46.19 43.52 2pwx s LEU 287 CO 0.04 -1.80 1.39 -1.61 0.23 0.00 0.00 176.35 174.59 2pwx s GLU 288 N 5.63 4.30 -0.01 1.70 0.41 -1.26 -4.93 118.70 124.54 2pwx s GLU 288 Ca 0.36 2.25 0.02 0.00 -0.41 0.00 0.00 54.97 57.19 2pwx s GLU 288 Cb -0.08 -3.11 0.03 0.00 -1.78 0.00 0.00 34.13 29.20 2pwx s GLU 288 CO 0.13 -0.34 0.82 -0.40 -0.49 0.00 0.00 175.26 174.98 2pwx n ASP 289 N 1.91 1.09 -0.53 -0.19 3.85 -1.26 -3.83 116.55 117.59 2pwx n ASP 289 Ca 0.05 -1.72 0.11 0.00 -0.71 0.00 0.00 54.79 52.52 2pwx n ASP 289 Cb 0.41 -0.06 0.41 0.00 -1.35 0.00 0.00 41.12 40.53 2pwx n ASP 289 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 2pwx n GLU 290 N -0.36 1.70 -3.93 0.11 0.28 -1.26 -4.64 120.64 112.54 2pwx n GLU 290 Ca 0.02 -1.05 -0.35 0.00 -0.16 0.00 0.00 57.16 55.62 2pwx n GLU 290 Cb 0.42 -1.41 -0.14 0.00 1.43 0.00 0.00 31.44 31.74 2pwx n GLU 290 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 2pwx s PHE 291 N -1.83 2.96 0.68 -1.84 0.40 -1.26 -4.84 117.98 112.25 2pwx s PHE 291 Ca 0.33 -1.11 -0.11 0.00 -0.60 0.00 0.00 56.93 55.45 2pwx s PHE 291 Cb 0.18 -2.08 0.00 0.00 0.51 0.00 0.00 43.02 41.63 2pwx s PHE 291 CO 0.28 -0.61 1.06 0.95 0.70 0.00 0.00 175.22 177.60 2pwx s THR 292 N 1.44 4.13 0.46 0.64 -4.23 -1.26 -4.35 115.64 112.47 2pwx s THR 292 Ca 0.05 0.69 0.20 0.00 -1.18 0.00 0.00 61.69 61.45 2pwx s THR 292 Cb -0.15 -3.48 0.38 0.00 1.34 0.00 0.00 72.50 70.59 2pwx s THR 292 CO -0.04 -0.90 1.93 -0.65 -0.54 0.00 0.00 174.62 174.41 2pwx h PRO 293 N -0.65 0.25 -0.51 3.99 0.11 -1.90 -1.39 132.00 131.91 2pwx h PRO 293 Ca -0.44 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 2pwx h PRO 293 Cb 1.21 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2pwx h PRO 293 CO 0.58 0.17 -0.13 0.74 -0.21 0.00 0.00 178.00 179.15 2pwx h PHE 294 N 0.26 1.08 -0.42 0.65 0.04 -1.98 -1.25 116.94 115.32 2pwx h PHE 294 Ca 0.36 -0.22 -0.03 0.00 2.80 0.00 0.00 57.97 60.88 2pwx h PHE 294 Cb 1.02 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.89 2pwx h PHE 294 CO -0.00 1.02 0.15 -0.44 -0.60 0.00 0.00 178.31 178.44 2pwx h ASP 295 N 0.85 0.55 0.47 2.17 3.32 -1.61 -2.37 116.42 119.80 2pwx h ASP 295 Ca 0.13 -0.06 -0.19 0.00 0.02 0.00 0.00 57.03 56.93 2pwx h ASP 295 Cb 0.68 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 2pwx h ASP 295 CO 0.05 0.51 -0.83 0.58 -1.72 0.00 0.00 179.24 177.83 2pwx h VAL 296 N 0.60 1.45 0.00 -1.35 2.07 -1.32 -3.14 116.25 114.56 2pwx h VAL 296 Ca 0.15 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.22 2pwx h VAL 296 Cb 0.15 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 2pwx h VAL 296 CO -0.01 0.72 0.00 0.52 0.02 0.00 0.00 177.57 178.82 2pwx n VAL 297 N -3.72 0.00 1.75 2.57 0.31 -0.51 -2.20 118.33 116.53 2pwx n VAL 297 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 2pwx n VAL 297 Cb 0.77 -0.23 0.01 0.00 -0.91 0.00 0.00 33.84 33.48 2pwx n VAL 297 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2pwx n ARG 298 N 0.01 1.05 0.00 5.55 1.85 -1.19 -5.07 116.66 118.86 2pwx n ARG 298 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 57.85 56.78 2pwx n ARG 298 Cb 0.03 -1.11 0.00 0.00 -1.05 0.00 0.00 32.46 30.33 2pwx n ARG 298 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66