#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wfm s GLN 10 N 0.00 4.14 0.14 -1.09 0.74 -1.26 -5.04 119.66 117.29 2wfm s GLN 10 Ca 0.00 2.14 0.06 0.00 0.05 0.00 0.00 55.36 57.62 2wfm s GLN 10 Cb 0.00 -2.88 -0.04 0.00 1.10 0.00 0.00 33.01 31.19 2wfm s GLN 10 CO 0.00 -0.35 0.00 0.15 -0.55 0.00 0.00 175.29 174.55 2wfm s LYS 11 N -2.06 2.46 -0.24 1.67 -0.14 -1.26 -5.01 119.74 115.16 2wfm s LYS 11 Ca 0.54 -1.01 -0.04 0.00 -1.36 0.00 0.00 55.97 54.10 2wfm s LYS 11 Cb -0.38 -2.43 0.00 0.00 -1.68 0.00 0.00 37.83 33.35 2wfm s LYS 11 CO 0.49 0.49 -0.02 -1.58 -0.76 0.00 0.00 175.35 173.97 2wfm s HIS 12 N -1.57 3.02 -0.27 3.18 5.65 -1.25 -0.19 115.29 123.86 2wfm s HIS 12 Ca 0.27 -1.06 -0.09 0.00 0.25 0.00 0.00 55.06 54.43 2wfm s HIS 12 Cb -0.10 -2.13 -0.03 0.00 -1.18 0.00 0.00 32.58 29.14 2wfm s HIS 12 CO 0.18 -0.59 0.12 -0.06 -0.65 0.00 0.00 174.74 173.75 2wfm s PHE 13 N 1.46 3.14 -0.70 3.88 0.08 0.29 -1.81 117.98 124.32 2wfm s PHE 13 Ca 0.04 -0.30 -0.18 0.00 0.12 0.00 0.00 56.93 56.61 2wfm s PHE 13 Cb -0.15 -2.31 0.13 0.00 -0.57 0.00 0.00 43.02 40.12 2wfm s PHE 13 CO -0.02 -0.32 0.81 0.08 -0.10 0.00 0.00 175.22 175.66 2wfm s VAL 14 N 1.66 4.92 -0.11 -0.44 1.01 0.01 -0.12 120.40 127.33 2wfm s VAL 14 Ca 0.06 -1.34 -0.30 0.00 0.00 0.00 0.00 61.98 60.40 2wfm s VAL 14 Cb -0.16 -4.55 -0.01 0.00 0.00 0.00 0.00 36.38 31.66 2wfm s VAL 14 CO 0.06 -1.20 1.01 -0.76 0.00 0.00 0.00 175.10 174.21 2wfm s LEU 15 N 2.30 4.24 -0.22 3.92 1.43 0.15 -1.77 118.68 128.73 2wfm s LEU 15 Ca 0.17 1.53 0.02 0.00 -1.03 0.00 0.00 54.13 54.81 2wfm s LEU 15 Cb -0.18 -3.56 0.05 0.00 0.03 0.00 0.00 46.19 42.53 2wfm s LEU 15 CO 0.01 -0.46 -0.12 -0.69 0.23 0.00 0.00 176.35 175.32 2wfm s VAL 16 N 2.06 1.90 0.78 -1.59 1.01 0.44 -2.56 120.40 122.44 2wfm s VAL 16 Ca 0.48 -1.26 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 2wfm s VAL 16 Cb -0.18 -1.96 0.06 0.00 0.00 0.00 0.00 36.38 34.29 2wfm s VAL 16 CO 0.17 0.13 1.08 -1.38 0.00 0.00 0.00 175.10 175.11 2wfm s HIS 17 N 1.26 2.78 1.05 5.22 -3.43 -1.26 -2.14 115.29 118.77 2wfm s HIS 17 Ca -0.04 1.33 -0.17 0.00 -0.80 0.00 0.00 55.06 55.39 2wfm s HIS 17 Cb -0.17 -3.04 0.23 0.00 -1.43 0.00 0.00 32.58 28.17 2wfm s HIS 17 CO -0.08 -1.72 1.25 0.20 -2.00 0.00 0.00 174.74 172.39 2wfm s GLY 18 N -3.68 1.71 0.42 -1.38 0.00 -1.23 -3.37 107.32 99.80 2wfm s GLY 18 Ca 0.60 -1.12 -0.25 0.00 0.00 0.00 0.00 44.72 43.95 2wfm s GLY 18 CO 0.55 -0.31 1.24 -0.32 0.00 0.00 0.00 173.10 174.27 2wfm s GLY 19 N -4.54 2.88 -0.56 0.20 0.00 -1.26 -2.85 107.32 101.18 2wfm s GLY 19 Ca 0.73 1.11 0.00 0.00 0.00 0.00 0.00 44.72 46.56 2wfm s GLY 19 CO 0.54 1.64 0.00 0.00 0.00 0.00 0.00 173.10 175.28 2wfm n LEU 21 N -0.60 0.00 0.00 0.00 4.77 -1.13 -3.37 117.00 116.66 2wfm n LEU 21 Ca -0.05 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.83 2wfm n LEU 21 Cb 0.39 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.50 2wfm n LEU 21 CO 0.08 0.00 0.48 0.61 -1.33 0.00 0.00 177.39 177.23 2wfm n GLY 22 N 4.15 1.15 0.35 -0.72 0.00 -1.26 -3.39 105.19 105.46 2wfm n GLY 22 Ca 0.00 -1.31 0.08 0.00 0.00 0.00 0.00 46.02 44.79 2wfm n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wfm h ALA 23 N 2.01 1.79 -0.29 4.61 0.00 -1.86 -2.98 119.26 122.55 2wfm h ALA 23 Ca -0.32 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.65 2wfm h ALA 23 Cb 1.22 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2wfm h ALA 23 CO 0.41 0.10 0.85 0.11 0.00 0.00 0.00 179.25 180.72 2wfm h TRP 24 N 0.62 0.00 0.00 0.00 5.08 -1.93 -0.50 115.95 119.22 2wfm h TRP 24 Ca 0.28 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.24 2wfm h TRP 24 Cb 0.29 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.45 2wfm h TRP 24 CO -0.00 0.00 -0.03 -0.84 -1.28 0.00 0.00 178.44 176.29 2wfm h ILE 25 N 0.00 0.08 -0.37 0.12 3.07 -1.95 -2.55 117.51 115.91 2wfm h ILE 25 Ca 0.14 -0.56 0.00 0.00 1.55 0.00 0.00 64.86 65.98 2wfm h ILE 25 Cb 1.83 1.52 0.00 0.00 -0.27 0.00 0.00 36.82 39.90 2wfm h ILE 25 CO -0.00 0.03 0.00 0.79 -1.05 0.00 0.00 178.15 177.92 2wfm n TRP 26 N -3.14 0.51 0.31 0.16 7.02 -0.20 -4.37 117.44 117.73 2wfm n TRP 26 Ca 0.00 -0.25 0.18 0.00 -1.02 0.00 0.00 57.50 56.41 2wfm n TRP 26 Cb 0.31 -0.00 0.99 0.00 -2.42 0.00 0.00 31.31 30.18 2wfm n TRP 26 CO 0.00 0.00 0.00 0.10 -2.02 0.00 0.00 177.69 175.77 2wfm h TYR 27 N 2.19 0.00 0.03 -5.99 -0.00 -1.62 -1.78 116.97 109.79 2wfm h TYR 27 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 58.73 58.39 2wfm h TYR 27 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 37.19 2wfm h TYR 27 CO 0.25 0.03 -2.02 1.63 -0.00 0.00 0.00 178.16 178.05 2wfm n LYS 28 N -3.39 0.68 0.03 0.10 5.02 -1.26 -4.35 118.16 114.98 2wfm n LYS 28 Ca -0.02 0.20 -0.20 0.00 -2.02 0.00 0.00 58.31 56.27 2wfm n LYS 28 Cb 0.13 -1.68 -0.10 0.00 -0.02 0.00 0.00 35.03 33.36 2wfm n LYS 28 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2wfm h LEU 29 N 0.02 0.87 -0.15 -0.35 5.85 -1.70 -3.29 115.31 116.55 2wfm h LEU 29 Ca -0.41 -0.73 0.04 0.00 0.84 0.00 0.00 57.88 57.63 2wfm h LEU 29 Cb 2.06 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 42.78 2wfm h LEU 29 CO 0.05 1.48 -0.11 0.50 -0.34 0.00 0.00 178.44 180.02 2wfm h LYS 30 N 0.35 -0.11 -0.17 1.25 3.64 -1.56 0.14 116.57 120.11 2wfm h LYS 30 Ca -0.11 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.32 2wfm h LYS 30 Cb 1.61 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.45 2wfm h LYS 30 CO 0.19 -0.08 0.14 -1.35 -2.27 0.00 0.00 179.45 176.08 2wfm h PRO 31 N -0.12 0.00 -0.02 1.90 0.11 -1.76 -1.76 132.00 130.35 2wfm h PRO 31 Ca 0.09 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.95 2wfm h PRO 31 Cb 0.26 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.38 2wfm h PRO 31 CO -0.22 0.00 -0.99 -0.07 -0.21 0.00 0.00 178.00 176.51 2wfm h LEU 32 N 0.00 0.84 -0.78 2.35 3.38 -0.89 -2.04 115.31 118.16 2wfm h LEU 32 Ca 0.08 -0.65 -0.11 0.00 0.09 0.00 0.00 57.88 57.29 2wfm h LEU 32 Cb 0.36 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2wfm h LEU 32 CO -0.00 1.45 -0.21 -0.07 0.09 0.00 0.00 178.44 179.70 2wfm h LEU 33 N 0.38 0.70 -0.24 1.67 3.38 -0.48 -2.92 115.31 117.80 2wfm h LEU 33 Ca -0.11 -0.24 -0.21 0.00 0.09 0.00 0.00 57.88 57.41 2wfm h LEU 33 Cb 1.63 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 42.20 2wfm h LEU 33 CO 0.19 0.90 -0.76 -0.33 0.09 0.00 0.00 178.44 178.53 2wfm h GLU 34 N 0.61 0.68 0.00 1.13 5.08 -1.32 -1.68 114.58 119.08 2wfm h GLU 34 Ca 0.09 -0.55 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2wfm h GLU 34 Cb 0.69 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2wfm h GLU 34 CO 0.05 1.17 0.00 0.77 -1.00 0.00 0.00 179.01 180.00 2wfm h SER 35 N 0.47 0.00 0.37 1.42 0.02 -1.31 -0.35 113.55 114.16 2wfm h SER 35 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2wfm h SER 35 Cb 1.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.91 2wfm h SER 35 CO 0.15 0.00 -0.09 0.00 -1.14 0.00 0.00 176.83 175.75 2wfm n ALA 36 N -2.04 2.72 0.00 3.77 0.00 -1.01 -4.92 120.51 119.04 2wfm n ALA 36 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2wfm n ALA 36 Cb 0.18 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.27 2wfm n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wfm n GLY 37 N 1.27 1.01 3.71 0.00 0.00 -0.14 -5.07 105.19 105.97 2wfm n GLY 37 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 2wfm n GLY 37 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wfm s HIS 38 N -2.00 2.82 0.10 1.61 3.76 -0.66 -4.68 115.29 116.23 2wfm s HIS 38 Ca 0.00 -0.21 -0.10 0.00 -0.15 0.00 0.00 55.06 54.60 2wfm s HIS 38 Cb 0.00 -1.32 -0.06 0.00 1.11 0.00 0.00 32.58 32.31 2wfm s HIS 38 CO 0.00 0.55 0.43 0.21 -0.85 0.00 0.00 174.74 175.08 2wfm s LYS 39 N -3.75 3.79 -0.03 1.40 2.20 0.74 -4.01 119.74 120.08 2wfm s LYS 39 Ca 0.33 0.22 0.01 0.00 -0.36 0.00 0.00 55.97 56.17 2wfm s LYS 39 Cb -0.06 -2.97 0.02 0.00 -1.51 0.00 0.00 37.83 33.31 2wfm s LYS 39 CO 0.22 0.54 -0.01 0.08 -0.36 0.00 0.00 175.35 175.81 2wfm s VAL 40 N -1.43 0.28 -0.25 4.02 1.01 -1.26 0.11 120.40 122.88 2wfm s VAL 40 Ca 0.34 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.32 2wfm s VAL 40 Cb -0.14 -0.35 0.02 0.00 0.00 0.00 0.00 36.38 35.92 2wfm s VAL 40 CO 0.19 0.16 -0.06 -0.89 0.00 0.00 0.00 175.10 174.49 2wfm s THR 41 N 0.89 2.88 -0.38 3.92 2.01 0.84 -4.91 115.64 120.88 2wfm s THR 41 Ca -0.10 -1.01 -0.11 0.00 0.31 0.00 0.00 61.69 60.78 2wfm s THR 41 Cb -0.13 -2.45 0.03 0.00 0.01 0.00 0.00 72.50 69.95 2wfm s THR 41 CO -0.01 0.21 0.21 0.00 -0.69 0.00 0.00 174.62 174.34 2wfm s ALA 42 N 1.33 3.28 0.21 7.40 0.00 -1.26 -0.68 121.76 132.04 2wfm s ALA 42 Ca 0.00 -1.73 -0.14 0.00 0.00 0.00 0.00 51.96 50.10 2wfm s ALA 42 Cb -0.17 -2.60 -0.08 0.00 0.00 0.00 0.00 23.12 20.28 2wfm s ALA 42 CO -0.05 -1.40 0.61 0.54 0.00 0.00 0.00 175.76 175.47 2wfm s VAL 43 N 1.56 4.80 -0.19 0.00 0.11 -1.06 -4.81 120.40 120.81 2wfm s VAL 43 Ca 0.02 0.82 -0.08 0.00 -2.93 0.00 0.00 61.98 59.81 2wfm s VAL 43 Cb -0.19 -3.70 -0.04 0.00 -1.53 0.00 0.00 36.38 30.92 2wfm s VAL 43 CO 0.07 0.07 0.07 -1.81 -3.33 0.00 0.00 175.10 170.17 2wfm s ASP 44 N -1.98 5.64 0.56 3.54 1.01 -1.26 -3.15 116.67 121.02 2wfm s ASP 44 Ca 0.44 0.07 -0.03 0.00 0.71 0.00 0.00 52.55 53.74 2wfm s ASP 44 Cb -0.13 -1.97 0.02 0.00 1.01 0.00 0.00 42.92 41.84 2wfm s ASP 44 CO 0.20 0.16 0.82 -0.76 0.21 0.00 0.00 175.17 175.79 2wfm s LEU 45 N 0.49 3.30 0.17 1.23 1.43 -1.26 -4.73 118.68 119.31 2wfm s LEU 45 Ca 0.04 0.39 -0.34 0.00 -1.03 0.00 0.00 54.13 53.19 2wfm s LEU 45 Cb -0.13 -3.22 -0.15 0.00 0.03 0.00 0.00 46.19 42.73 2wfm s LEU 45 CO 0.01 -1.05 1.43 -1.20 0.23 0.00 0.00 176.35 175.76 2wfm n SER 46 N -2.43 2.50 -3.00 2.29 7.64 -0.14 0.76 113.62 121.23 2wfm n SER 46 Ca 0.05 1.11 -0.21 0.00 1.01 0.00 0.00 58.87 60.84 2wfm n SER 46 Cb 0.58 -1.35 0.01 0.00 -1.01 0.00 0.00 64.21 62.44 2wfm n SER 46 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wfm n ALA 47 N 2.57 -0.95 -2.42 -0.43 0.00 -1.23 -4.91 120.51 113.15 2wfm n ALA 47 Ca 0.15 0.16 -0.28 0.00 0.00 0.00 0.00 53.44 53.48 2wfm n ALA 47 Cb 0.27 -2.84 -0.13 0.00 0.00 0.00 0.00 19.45 16.75 2wfm n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wfm s ALA 48 N -2.95 2.28 0.00 0.00 0.00 0.23 -4.76 121.76 116.56 2wfm s ALA 48 Ca 0.26 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 50.78 2wfm s ALA 48 Cb -0.13 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.64 2wfm s ALA 48 CO 0.32 0.50 0.00 0.41 0.00 0.00 0.00 175.76 176.99 2wfm n GLY 49 N 0.89 2.76 1.76 0.00 0.00 -1.22 -1.25 105.19 108.13 2wfm n GLY 49 Ca -0.18 -0.37 -0.05 0.00 0.00 0.00 0.00 46.02 45.43 2wfm n GLY 49 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2wfm n ILE 50 N 0.00 2.43 -1.94 -0.61 -5.35 -1.26 -4.94 119.36 107.69 2wfm n ILE 50 Ca 0.00 -1.28 -0.41 0.00 -0.27 0.00 0.00 62.75 60.79 2wfm n ILE 50 Cb 0.00 -0.43 -0.02 0.00 -1.74 0.00 0.00 39.64 37.44 2wfm n ILE 50 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2wfm s ASN 51 N -0.70 6.57 0.48 7.28 3.84 -0.38 -4.91 114.94 127.13 2wfm s ASN 51 Ca 0.44 2.75 0.28 0.00 0.21 0.00 0.00 52.86 56.54 2wfm s ASN 51 Cb 0.35 -2.63 1.06 0.00 -0.55 0.00 0.00 41.25 39.48 2wfm s ASN 51 CO 0.11 -0.77 1.87 -0.65 -2.79 0.00 0.00 177.10 174.87 2wfm h PRO 52 N 5.04 0.00 -6.95 0.43 0.11 -1.92 -3.40 132.00 125.32 2wfm h PRO 52 Ca -0.46 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.14 2wfm h PRO 52 Cb 1.22 0.00 0.05 0.00 0.11 0.00 0.00 31.00 32.38 2wfm h PRO 52 CO 0.79 0.13 0.51 1.03 -0.21 0.00 0.00 178.00 180.24 2wfm s ARG 53 N -3.63 4.03 0.48 1.05 1.81 -1.26 -4.97 118.95 116.45 2wfm s ARG 53 Ca 0.01 1.86 -0.13 0.00 -1.72 0.00 0.00 55.73 55.75 2wfm s ARG 53 Cb 0.09 -2.67 -0.07 0.00 -0.45 0.00 0.00 34.95 31.86 2wfm s ARG 53 CO 0.60 -0.34 0.89 1.03 -0.68 0.00 0.00 175.30 176.80 2wfm s ARG 54 N -2.31 3.82 0.13 3.54 0.52 -1.26 -3.48 118.95 119.90 2wfm s ARG 54 Ca 0.57 0.69 -0.15 0.00 -0.52 0.00 0.00 55.73 56.33 2wfm s ARG 54 Cb -0.31 -2.25 -0.02 0.00 0.52 0.00 0.00 34.95 32.89 2wfm s ARG 54 CO 0.39 -0.20 1.58 1.25 0.02 0.00 0.00 175.30 178.34 2wfm h LEU 55 N 0.90 0.68 -1.73 2.53 5.85 -1.90 -3.08 115.31 118.56 2wfm h LEU 55 Ca -0.47 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 57.96 2wfm h LEU 55 Cb 1.19 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.03 2wfm h LEU 55 CO 0.62 0.81 0.17 -2.24 -0.34 0.00 0.00 178.44 177.46 2wfm h ASP 56 N 0.54 0.00 -0.45 1.25 3.04 -1.98 0.18 116.42 119.00 2wfm h ASP 56 Ca 0.12 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.90 2wfm h ASP 56 Cb 0.44 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.73 2wfm h ASP 56 CO 0.02 0.00 0.00 -1.84 -2.04 0.00 0.00 179.24 175.38 2wfm n GLU 57 N -2.52 4.11 -3.85 4.15 0.28 -1.16 -4.71 120.64 116.93 2wfm n GLU 57 Ca -0.02 -3.05 -0.29 0.00 -0.16 0.00 0.00 57.16 53.65 2wfm n GLU 57 Cb 0.21 -2.10 -0.16 0.00 1.43 0.00 0.00 31.44 30.81 2wfm n GLU 57 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2wfm s ILE 58 N -2.81 1.04 -0.06 3.84 1.01 0.65 -4.97 121.20 119.90 2wfm s ILE 58 Ca 0.50 -0.82 0.07 0.00 0.00 0.00 0.00 60.65 60.40 2wfm s ILE 58 Cb 0.39 -1.37 -0.10 0.00 0.01 0.00 0.00 42.46 41.38 2wfm s ILE 58 CO 0.13 -0.08 0.17 1.41 0.00 0.00 0.00 174.94 176.57 2wfm n HIS 59 N 4.87 0.00 -4.86 3.97 8.25 -1.26 -4.97 115.22 121.21 2wfm n HIS 59 Ca -0.11 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.03 2wfm n HIS 59 Cb 0.46 -0.13 -0.13 0.00 1.12 0.00 0.00 29.99 31.31 2wfm n HIS 59 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2wfm s THR 60 N -2.33 2.85 0.40 1.59 -4.23 -1.26 -4.79 115.64 107.87 2wfm s THR 60 Ca -0.02 -0.93 0.11 0.00 -1.18 0.00 0.00 61.69 59.67 2wfm s THR 60 Cb 0.04 -2.13 0.32 0.00 1.34 0.00 0.00 72.50 72.07 2wfm s THR 60 CO 0.28 0.50 1.96 0.15 -0.54 0.00 0.00 174.62 176.97 2wfm h PHE 61 N 5.07 0.57 -0.81 3.99 3.57 -1.93 -0.36 116.94 127.04 2wfm h PHE 61 Ca -0.46 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.03 2wfm h PHE 61 Cb 1.15 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.66 2wfm h PHE 61 CO 0.50 0.27 0.44 -0.09 -2.23 0.00 0.00 178.31 177.19 2wfm h ARG 62 N 0.54 1.14 -0.51 1.11 2.43 -1.96 0.16 114.38 117.29 2wfm h ARG 62 Ca 0.31 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2wfm h ARG 62 Cb 0.50 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 2wfm h ARG 62 CO -0.10 0.85 0.34 -0.44 -1.51 0.00 0.00 179.97 179.11 2wfm h ASP 63 N 1.14 0.59 -0.67 -3.80 5.19 -1.60 -1.17 116.42 116.10 2wfm h ASP 63 Ca 0.29 -0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.62 2wfm h ASP 63 Cb 0.05 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 39.38 2wfm h ASP 63 CO -0.04 0.43 0.19 0.22 -3.12 0.00 0.00 179.24 176.92 2wfm h TYR 64 N 0.70 1.09 -0.00 4.55 3.20 -0.40 -2.82 116.97 123.29 2wfm h TYR 64 Ca 0.19 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2wfm h TYR 64 Cb -0.07 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 37.88 2wfm h TYR 64 CO -0.04 0.89 -0.15 0.43 -1.64 0.00 0.00 178.16 177.65 2wfm n SER 65 N -4.31 0.38 -0.30 -2.11 7.64 0.50 -0.97 113.62 114.46 2wfm n SER 65 Ca 0.05 -0.31 0.13 0.00 1.01 0.00 0.00 58.87 59.75 2wfm n SER 65 Cb 0.23 -0.10 0.30 0.00 -1.01 0.00 0.00 64.21 63.62 2wfm n SER 65 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2wfm h GLU 66 N 0.36 0.21 0.00 1.43 4.57 -0.94 -0.13 114.58 120.09 2wfm h GLU 66 Ca 0.00 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 2wfm h GLU 66 Cb 0.41 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.95 2wfm h GLU 66 CO 0.00 0.14 -0.16 -1.35 -1.18 0.00 0.00 179.01 176.46 2wfm h PRO 67 N 0.22 0.00 0.00 0.92 0.11 -1.81 -1.38 132.00 130.06 2wfm h PRO 67 Ca 0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.67 2wfm h PRO 67 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2wfm h PRO 67 CO -0.65 0.16 0.00 1.25 -0.21 0.00 0.00 178.00 178.55 2wfm h LEU 68 N 0.00 0.00 0.00 2.35 5.85 -1.34 -3.15 115.31 119.01 2wfm h LEU 68 Ca -0.00 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 2wfm h LEU 68 Cb 0.45 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 2wfm h LEU 68 CO 0.02 0.00 -0.60 0.24 -0.34 0.00 0.00 178.44 177.76 2wfm h MET 69 N 0.00 0.00 0.00 1.25 2.86 -0.90 -3.11 114.93 115.04 2wfm h MET 69 Ca 0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 2wfm h MET 69 Cb 0.95 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.60 2wfm h MET 69 CO 0.00 0.51 -0.22 0.93 1.06 0.00 0.00 176.91 179.20 2wfm h GLU 70 N 0.00 0.00 0.00 1.72 5.08 -1.35 -1.96 114.58 118.08 2wfm h GLU 70 Ca -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2wfm h GLU 70 Cb 1.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.67 2wfm h GLU 70 CO 0.07 0.22 -0.08 0.28 -1.00 0.00 0.00 179.01 178.49 2wfm h VAL 71 N 0.00 1.64 -0.56 3.13 2.07 -1.61 -3.29 116.25 117.64 2wfm h VAL 71 Ca -0.00 -2.00 0.11 0.00 0.82 0.00 0.00 66.70 65.63 2wfm h VAL 71 Cb 1.06 2.98 -0.11 0.00 -1.52 0.00 0.00 31.29 33.70 2wfm h VAL 71 CO 0.03 0.53 -0.24 0.24 0.02 0.00 0.00 177.57 178.15 2wfm h MET 72 N -0.76 -0.10 0.00 1.57 2.86 -1.48 -1.33 114.93 115.70 2wfm h MET 72 Ca -0.01 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2wfm h MET 72 Cb 0.91 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.59 2wfm h MET 72 CO 0.02 -0.06 0.00 0.00 1.06 0.00 0.00 176.91 177.92 2wfm n ALA 73 N -3.06 1.51 0.70 6.32 0.00 -0.74 -2.16 120.51 123.08 2wfm n ALA 73 Ca 0.05 -0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.54 2wfm n ALA 73 Cb 0.33 -1.12 0.02 0.00 0.00 0.00 0.00 19.45 18.68 2wfm n ALA 73 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2wfm n SER 74 N -1.32 1.81 -4.74 0.00 3.41 -0.51 -4.95 113.62 107.32 2wfm n SER 74 Ca 0.03 -1.41 -0.41 0.00 -0.26 0.00 0.00 58.87 56.83 2wfm n SER 74 Cb 0.07 0.35 -0.04 0.00 -0.26 0.00 0.00 64.21 64.33 2wfm n SER 74 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2wfm s ILE 75 N -1.75 3.59 0.65 -1.33 1.01 -0.92 -4.99 121.20 117.46 2wfm s ILE 75 Ca 0.15 1.40 -0.14 0.00 0.00 0.00 0.00 60.65 62.05 2wfm s ILE 75 Cb 0.13 -3.89 -0.01 0.00 0.01 0.00 0.00 42.46 38.70 2wfm s ILE 75 CO 0.35 0.25 1.08 -2.16 0.00 0.00 0.00 174.94 174.46 2wfm s PRO 76 N -0.55 2.96 0.50 2.79 0.04 -1.26 -4.91 135.00 134.57 2wfm s PRO 76 Ca 0.50 1.24 0.28 0.00 0.04 0.00 0.00 61.00 63.06 2wfm s PRO 76 Cb -0.32 -1.98 1.37 0.00 0.04 0.00 0.00 34.50 33.61 2wfm s PRO 76 CO 0.38 -1.11 1.88 -1.35 0.04 0.00 0.00 177.00 176.84 2wfm h PRO 77 N -0.04 0.11 0.02 0.56 0.11 -2.00 -2.57 132.00 128.18 2wfm h PRO 77 Ca -0.46 -0.01 -0.28 0.00 0.11 0.00 0.00 66.00 65.36 2wfm h PRO 77 Cb 1.23 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 2wfm h PRO 77 CO 0.55 0.07 -1.60 -0.44 -0.21 0.00 0.00 178.00 176.37 2wfm h ASP 78 N 0.11 0.05 -3.69 -2.05 3.45 -2.03 -3.49 116.42 108.77 2wfm h ASP 78 Ca 0.44 -0.10 -0.46 0.00 0.43 0.00 0.00 57.03 57.35 2wfm h ASP 78 Cb 1.57 -0.02 0.10 0.00 -0.56 0.00 0.00 39.33 40.42 2wfm h ASP 78 CO -0.06 1.08 0.27 -1.61 -1.57 0.00 0.00 179.24 177.36 2wfm s GLU 79 N -2.61 1.78 -0.11 3.56 2.02 -0.97 -5.12 118.70 117.24 2wfm s GLU 79 Ca -0.05 -0.37 -0.10 0.00 0.02 0.00 0.00 54.97 54.47 2wfm s GLU 79 Cb 0.08 -2.10 0.03 0.00 0.10 0.00 0.00 34.13 32.24 2wfm s GLU 79 CO 0.82 -1.55 0.30 0.15 0.02 0.00 0.00 175.26 175.00 2wfm s LYS 80 N -5.40 0.35 0.13 1.61 1.02 -1.26 -4.80 119.74 111.38 2wfm s LYS 80 Ca 0.64 0.42 0.03 0.00 0.02 0.00 0.00 55.97 57.09 2wfm s LYS 80 Cb -0.09 0.16 -0.04 0.00 -0.52 0.00 0.00 37.83 37.35 2wfm s LYS 80 CO 0.47 -0.05 0.16 0.14 -0.92 0.00 0.00 175.35 175.15 2wfm s VAL 81 N 0.20 4.77 -0.22 3.17 -7.23 -0.72 -4.49 120.40 115.88 2wfm s VAL 81 Ca -0.00 -0.84 -0.14 0.00 -1.81 0.00 0.00 61.98 59.18 2wfm s VAL 81 Cb -0.02 -3.39 -0.04 0.00 0.56 0.00 0.00 36.38 33.48 2wfm s VAL 81 CO 0.00 -0.01 0.34 -0.69 -0.31 0.00 0.00 175.10 174.43 2wfm s VAL 82 N -1.62 5.23 -0.02 1.32 1.01 -0.75 -1.30 120.40 124.27 2wfm s VAL 82 Ca 0.32 0.57 -0.14 0.00 0.00 0.00 0.00 61.98 62.72 2wfm s VAL 82 Cb -0.11 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 2wfm s VAL 82 CO 0.25 0.26 0.38 -0.76 0.00 0.00 0.00 175.10 175.22 2wfm s LEU 83 N 1.35 4.46 -0.27 3.92 1.43 -0.82 -0.81 118.68 127.94 2wfm s LEU 83 Ca 0.16 0.90 0.01 0.00 -1.03 0.00 0.00 54.13 54.17 2wfm s LEU 83 Cb -0.15 -2.53 0.07 0.00 0.03 0.00 0.00 46.19 43.62 2wfm s LEU 83 CO 0.07 0.33 -0.00 -0.22 0.23 0.00 0.00 176.35 176.76 2wfm s LEU 84 N -1.03 2.91 0.01 1.79 2.96 -0.73 0.02 118.68 124.62 2wfm s LEU 84 Ca 0.23 -1.44 -0.17 0.00 -0.22 0.00 0.00 54.13 52.53 2wfm s LEU 84 Cb -0.16 -1.20 -0.06 0.00 0.50 0.00 0.00 46.19 45.27 2wfm s LEU 84 CO 0.12 -0.30 0.47 -0.83 -1.32 0.00 0.00 176.35 174.49 2wfm s GLY 85 N 1.35 2.54 -0.10 7.98 0.00 0.22 -0.42 107.32 118.88 2wfm s GLY 85 Ca 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 44.72 44.63 2wfm s GLY 85 CO -0.10 0.31 -0.22 -1.58 0.00 0.00 0.00 173.10 171.52 2wfm s HIS 86 N -0.92 2.60 0.00 1.90 5.04 -0.91 -0.17 115.29 122.84 2wfm s HIS 86 Ca 0.26 -0.91 0.00 0.00 -1.54 0.00 0.00 55.06 52.87 2wfm s HIS 86 Cb -0.17 -1.72 0.00 0.00 0.04 0.00 0.00 32.58 30.72 2wfm s HIS 86 CO 0.15 -0.34 0.00 0.45 -2.34 0.00 0.00 174.74 172.66 2wfm n SER 87 N 3.43 0.00 -0.34 9.88 2.88 -0.82 -1.00 113.62 127.65 2wfm n SER 87 Ca -0.19 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.44 2wfm n SER 87 Cb 0.53 0.00 0.28 0.00 -0.75 0.00 0.00 64.21 64.27 2wfm n SER 87 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2wfm h PHE 88 N 0.00 1.06 0.00 0.66 3.57 -1.87 -1.42 116.94 118.95 2wfm h PHE 88 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2wfm h PHE 88 Cb 0.00 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.40 2wfm h PHE 88 CO 0.00 0.40 0.61 0.78 -2.23 0.00 0.00 178.31 177.88 2wfm h GLY 89 N 0.91 0.00 2.00 2.40 0.00 -1.07 0.54 103.07 107.85 2wfm h GLY 89 Ca 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.81 2wfm h GLY 89 CO -0.26 0.00 -0.07 -1.33 0.00 0.00 0.00 176.54 174.88 2wfm h GLY 90 N 0.00 0.00 2.00 4.60 0.00 -1.40 -1.03 103.07 107.24 2wfm h GLY 90 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 2wfm h GLY 90 CO 0.00 0.00 -0.55 -0.33 0.00 0.00 0.00 176.54 175.66 2wfm h MET 91 N 0.00 0.00 0.18 4.80 2.07 -1.02 -1.68 114.93 119.28 2wfm h MET 91 Ca -0.00 0.00 -0.26 0.00 -2.07 0.00 0.00 59.70 57.37 2wfm h MET 91 Cb 0.26 0.00 0.02 0.00 -1.87 0.00 0.00 31.60 30.01 2wfm h MET 91 CO 0.01 0.55 -1.21 0.77 1.07 0.00 0.00 176.91 178.10 2wfm h SER 92 N 0.00 0.58 -0.11 1.22 0.02 -1.36 -2.99 113.55 110.91 2wfm h SER 92 Ca -0.01 -0.92 0.01 0.00 -0.84 0.00 0.00 61.79 60.03 2wfm h SER 92 Cb 1.34 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 2wfm h SER 92 CO 0.07 1.57 -0.10 -0.07 -1.14 0.00 0.00 176.83 177.16 2wfm h LEU 93 N -0.16 -0.36 -0.59 5.07 4.07 -1.34 0.01 115.31 122.00 2wfm h LEU 93 Ca -0.23 0.05 0.10 0.00 0.08 0.00 0.00 57.88 57.88 2wfm h LEU 93 Cb 1.87 0.15 -0.10 0.00 1.08 0.00 0.00 40.66 43.66 2wfm h LEU 93 CO 0.18 -0.06 -0.21 0.61 -1.08 0.00 0.00 178.44 177.87 2wfm n GLY 94 N -1.06 -1.15 0.17 0.83 0.00 -0.63 0.13 105.19 103.48 2wfm n GLY 94 Ca -0.00 0.65 -0.10 0.00 0.00 0.00 0.00 46.02 46.57 2wfm n GLY 94 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wfm h LEU 95 N 0.00 0.48 -0.62 0.99 5.85 -1.20 0.79 115.31 121.60 2wfm h LEU 95 Ca 0.23 -0.22 0.13 0.00 0.84 0.00 0.00 57.88 58.85 2wfm h LEU 95 Cb 0.37 -0.13 -0.10 0.00 0.37 0.00 0.00 40.66 41.18 2wfm h LEU 95 CO -0.59 0.57 0.06 0.00 -0.34 0.00 0.00 178.44 178.15 2wfm h ALA 96 N 0.93 0.67 -0.29 1.25 0.00 0.16 -1.89 119.26 120.09 2wfm h ALA 96 Ca 0.10 0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 2wfm h ALA 96 Cb 0.27 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2wfm h ALA 96 CO -0.00 -0.36 -0.05 0.52 0.00 0.00 0.00 179.25 179.35 2wfm h MET 97 N 0.18 0.55 -0.54 0.00 2.86 -0.43 0.30 114.93 117.85 2wfm h MET 97 Ca 0.33 -0.20 0.16 0.00 -2.06 0.00 0.00 59.70 57.92 2wfm h MET 97 Cb 0.52 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 2wfm h MET 97 CO -0.48 0.74 0.42 1.49 1.06 0.00 0.00 176.91 180.14 2wfm h GLU 98 N 0.32 0.00 0.00 1.72 4.57 -0.67 -2.75 114.58 117.78 2wfm h GLU 98 Ca 0.08 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.94 2wfm h GLU 98 Cb 0.52 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.06 2wfm h GLU 98 CO 0.03 0.00 -2.20 2.41 -1.18 0.00 0.00 179.01 178.07 2wfm n THR 99 N -4.21 1.21 -3.00 0.32 -1.04 -0.73 -4.64 114.28 102.20 2wfm n THR 99 Ca 0.10 -0.52 -0.19 0.00 -2.04 0.00 0.00 64.05 61.41 2wfm n THR 99 Cb 0.65 -1.12 -0.02 0.00 -1.82 0.00 0.00 70.33 68.02 2wfm n THR 99 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2wfm n TYR 100 N -3.02 1.36 0.27 -1.42 4.01 0.10 -4.90 117.16 113.56 2wfm n TYR 100 Ca -0.36 -3.62 0.13 0.00 -0.16 0.00 0.00 57.90 53.89 2wfm n TYR 100 Cb 0.93 -0.40 0.77 0.00 -0.31 0.00 0.00 39.34 40.33 2wfm n TYR 100 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2wfm h PRO 101 N 2.97 0.00 -0.13 -0.72 0.13 -1.62 -2.90 132.00 129.73 2wfm h PRO 101 Ca 0.08 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.05 2wfm h PRO 101 Cb 0.91 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 2wfm h PRO 101 CO 0.59 0.09 -0.60 0.93 -0.23 0.00 0.00 178.00 178.78 2wfm h GLU 102 N 0.00 0.43 -0.44 0.86 3.07 -1.90 -3.23 114.58 113.36 2wfm h GLU 102 Ca -0.00 -0.29 0.00 0.00 -0.50 0.00 0.00 59.36 58.57 2wfm h GLU 102 Cb 0.25 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 2wfm h GLU 102 CO 0.01 0.90 0.00 1.63 -1.40 0.00 0.00 179.01 180.15 2wfm n LYS 103 N -3.91 1.87 -3.80 2.33 4.76 -1.09 -4.79 118.16 113.52 2wfm n LYS 103 Ca -0.03 -1.04 -0.26 0.00 -2.87 0.00 0.00 58.31 54.12 2wfm n LYS 103 Cb 0.63 -1.38 -0.17 0.00 -1.84 0.00 0.00 35.03 32.27 2wfm n LYS 103 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 2wfm s ILE 104 N -1.64 0.62 -0.08 -0.18 -1.16 -1.22 -1.75 121.20 115.78 2wfm s ILE 104 Ca 0.19 -0.23 -0.06 0.00 -0.51 0.00 0.00 60.65 60.03 2wfm s ILE 104 Cb 0.11 -0.85 -0.04 0.00 0.61 0.00 0.00 42.46 42.29 2wfm s ILE 104 CO 0.11 0.13 0.24 0.77 -2.81 0.00 0.00 174.94 173.38 2wfm h SER 105 N 8.25 -0.15 -4.13 4.50 4.64 -1.50 -3.46 113.55 121.71 2wfm h SER 105 Ca -0.21 -0.03 -0.45 0.00 -0.47 0.00 0.00 61.79 60.63 2wfm h SER 105 Cb 1.12 0.04 -0.20 0.00 -0.31 0.00 0.00 62.40 63.06 2wfm h SER 105 CO 0.32 0.34 -0.78 0.54 -0.87 0.00 0.00 176.83 176.39 2wfm s VAL 106 N -2.18 1.39 -0.28 0.95 0.11 -1.26 -4.31 120.40 114.81 2wfm s VAL 106 Ca -0.03 -1.61 0.01 0.00 -2.93 0.00 0.00 61.98 57.42 2wfm s VAL 106 Cb 0.00 -1.45 0.06 0.00 -1.53 0.00 0.00 36.38 33.46 2wfm s VAL 106 CO 0.11 -0.30 -0.05 0.00 -3.33 0.00 0.00 175.10 171.53 2wfm s ALA 107 N -1.76 2.70 -0.07 1.54 0.00 -0.81 -1.95 121.76 121.42 2wfm s ALA 107 Ca 0.06 -1.83 -0.20 0.00 0.00 0.00 0.00 51.96 50.00 2wfm s ALA 107 Cb -0.07 -1.78 -0.05 0.00 0.00 0.00 0.00 23.12 21.23 2wfm s ALA 107 CO 0.03 -1.27 0.56 0.08 0.00 0.00 0.00 175.76 175.16 2wfm s VAL 108 N 1.15 5.06 -0.27 0.00 1.01 0.10 -2.26 120.40 125.20 2wfm s VAL 108 Ca -0.06 1.14 -0.06 0.00 0.00 0.00 0.00 61.98 63.00 2wfm s VAL 108 Cb -0.20 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.29 2wfm s VAL 108 CO -0.03 0.35 0.05 -0.36 0.00 0.00 0.00 175.10 175.11 2wfm s PHE 109 N 0.32 3.10 -0.17 5.22 0.08 0.13 -0.61 117.98 126.06 2wfm s PHE 109 Ca 0.30 -0.93 -0.01 0.00 0.12 0.00 0.00 56.93 56.41 2wfm s PHE 109 Cb -0.17 -2.21 -0.00 0.00 -0.57 0.00 0.00 43.02 40.07 2wfm s PHE 109 CO 0.14 -0.55 -0.13 1.41 -0.10 0.00 0.00 175.22 176.00 2wfm s MET 110 N 1.50 3.28 -1.09 0.44 -2.45 0.76 0.16 119.30 121.90 2wfm s MET 110 Ca 0.03 -0.71 -0.06 0.00 -1.25 0.00 0.00 55.69 53.71 2wfm s MET 110 Cb -0.16 -2.71 0.01 0.00 1.25 0.00 0.00 34.83 33.21 2wfm s MET 110 CO 0.01 -0.00 0.10 0.45 1.05 0.00 0.00 175.02 176.63 2wfm n SER 111 N 4.15 -0.07 -4.37 1.11 2.88 -0.69 -1.94 113.62 114.68 2wfm n SER 111 Ca -0.19 -0.95 -0.19 0.00 -1.33 0.00 0.00 58.87 56.22 2wfm n SER 111 Cb 0.52 -1.17 -0.10 0.00 -0.75 0.00 0.00 64.21 62.71 2wfm n SER 111 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wfm s ALA 112 N -4.00 2.00 -0.72 -1.46 0.00 -1.26 -2.79 121.76 113.53 2wfm s ALA 112 Ca 0.08 -1.86 -0.23 0.00 0.00 0.00 0.00 51.96 49.94 2wfm s ALA 112 Cb -0.04 0.53 0.06 0.00 0.00 0.00 0.00 23.12 23.67 2wfm s ALA 112 CO 0.73 -0.25 1.08 -1.64 0.00 0.00 0.00 175.76 175.68 2wfm s MET 113 N -3.86 3.19 -0.19 0.00 -1.94 -1.13 -4.91 119.30 110.46 2wfm s MET 113 Ca 0.31 -0.76 -0.29 0.00 -1.71 0.00 0.00 55.69 53.24 2wfm s MET 113 Cb 0.06 -4.32 -0.00 0.00 2.01 0.00 0.00 34.83 32.58 2wfm s MET 113 CO 0.11 -1.92 1.14 -1.64 -0.01 0.00 0.00 175.02 172.70 2wfm s MET 114 N 4.45 4.26 0.33 2.03 -1.94 -1.26 -4.03 119.30 123.14 2wfm s MET 114 Ca 0.27 1.50 -0.29 0.00 -1.71 0.00 0.00 55.69 55.47 2wfm s MET 114 Cb -0.13 -3.68 -0.11 0.00 2.01 0.00 0.00 34.83 32.92 2wfm s MET 114 CO 0.09 -0.63 1.44 -2.14 -0.01 0.00 0.00 175.02 173.76 2wfm s PRO 115 N 3.19 4.21 -0.36 2.03 0.02 -1.26 -4.90 135.00 137.94 2wfm s PRO 115 Ca 0.49 2.42 -0.10 0.00 0.02 0.00 0.00 61.00 63.83 2wfm s PRO 115 Cb -0.18 -3.03 0.03 0.00 0.02 0.00 0.00 34.50 31.33 2wfm s PRO 115 CO 0.11 -0.42 0.17 0.34 -0.33 0.00 0.00 177.00 176.88 2wfm s ASP 116 N -0.09 5.59 0.30 2.53 3.68 -1.26 -4.98 116.67 122.44 2wfm s ASP 116 Ca 0.54 -0.97 0.24 0.00 2.13 0.00 0.00 52.55 54.50 2wfm s ASP 116 Cb -0.44 -1.98 1.08 0.00 -1.45 0.00 0.00 42.92 40.13 2wfm s ASP 116 CO 0.55 -0.34 1.74 1.55 0.13 0.00 0.00 175.17 178.79 2wfm h PRO 117 N 8.37 0.00 0.08 4.34 0.13 -1.92 -2.70 132.00 140.30 2wfm h PRO 117 Ca -0.26 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.71 2wfm h PRO 117 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2wfm h PRO 117 CO 0.65 0.00 -0.79 -0.91 -0.23 0.00 0.00 178.00 176.72 2wfm h ASN 118 N 0.00 0.26 -3.11 1.44 4.21 -1.94 -3.39 115.58 113.04 2wfm h ASN 118 Ca 0.00 -0.89 0.00 0.00 1.21 0.00 0.00 56.30 56.62 2wfm h ASN 118 Cb 0.29 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.41 2wfm h ASN 118 CO 0.00 1.35 0.00 1.41 -1.29 0.00 0.00 177.43 178.90 2wfm n HIS 119 N -4.25 -1.67 -1.60 1.19 8.25 -1.02 -5.05 115.22 111.07 2wfm n HIS 119 Ca -0.18 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 56.99 2wfm n HIS 119 Cb 0.73 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.95 2wfm n HIS 119 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2wfm s SER 120 N -1.00 4.09 0.16 0.41 1.04 -1.26 -4.71 113.70 112.43 2wfm s SER 120 Ca 0.00 1.08 0.02 0.00 0.48 0.00 0.00 55.95 57.53 2wfm s SER 120 Cb 0.00 -1.72 -0.01 0.00 0.10 0.00 0.00 66.02 64.39 2wfm s SER 120 CO 0.00 -2.20 1.37 -0.07 0.98 0.00 0.00 173.24 173.33 2wfm h LEU 121 N -1.25 0.28 -0.77 2.42 3.38 -1.89 -3.15 115.31 114.34 2wfm h LEU 121 Ca -0.48 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.26 2wfm h LEU 121 Cb 1.30 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2wfm h LEU 121 CO 0.61 1.03 0.00 0.71 0.09 0.00 0.00 178.44 180.88 2wfm h THR 122 N 0.12 0.00 -0.73 0.22 1.35 -1.94 -3.38 112.91 108.56 2wfm h THR 122 Ca -0.05 -0.73 0.14 0.00 -0.55 0.00 0.00 66.41 65.22 2wfm h THR 122 Cb 1.50 1.73 -0.14 0.00 -1.73 0.00 0.00 68.15 69.51 2wfm h THR 122 CO 0.14 0.00 -0.25 0.22 -0.25 0.00 0.00 175.52 175.38 2wfm h TYR 123 N 0.00 -0.60 0.00 4.73 3.20 -1.93 -0.54 116.97 121.82 2wfm h TYR 123 Ca 0.00 0.07 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 2wfm h TYR 123 Cb 0.74 0.38 -0.01 0.00 1.54 0.00 0.00 36.73 39.38 2wfm h TYR 123 CO 0.00 -0.35 -0.22 -1.35 -1.64 0.00 0.00 178.16 174.60 2wfm h PRO 124 N -0.05 0.00 0.19 1.82 0.11 -1.81 -2.45 132.00 129.81 2wfm h PRO 124 Ca 0.33 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.43 2wfm h PRO 124 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 2wfm h PRO 124 CO -0.77 0.22 -0.09 0.74 -0.21 0.00 0.00 178.00 177.90 2wfm h PHE 125 N 0.00 -0.23 -0.88 0.65 0.04 -1.43 -0.48 116.94 114.60 2wfm h PHE 125 Ca -0.00 -0.01 0.22 0.00 2.80 0.00 0.00 57.97 60.99 2wfm h PHE 125 Cb 0.45 0.08 -0.17 0.00 2.20 0.00 0.00 35.95 38.51 2wfm h PHE 125 CO 0.00 0.14 -0.05 0.39 -0.60 0.00 0.00 178.31 178.19 2wfm n GLU 126 N -4.94 -0.07 0.17 1.51 1.02 -0.48 -0.75 120.64 117.10 2wfm n GLU 126 Ca -0.07 1.34 -0.13 0.00 -0.02 0.00 0.00 57.16 58.28 2wfm n GLU 126 Cb 0.24 -2.09 -0.08 0.00 -0.02 0.00 0.00 31.44 29.49 2wfm n GLU 126 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2wfm h LYS 127 N 0.00 -0.43 0.06 3.49 1.79 -1.41 -2.43 116.57 117.64 2wfm h LYS 127 Ca 0.50 0.03 0.02 0.00 -2.18 0.00 0.00 60.65 59.03 2wfm h LYS 127 Cb 0.98 0.10 -0.05 0.00 -1.58 0.00 0.00 32.23 31.68 2wfm h LYS 127 CO -0.85 -0.11 -0.44 -0.92 -1.08 0.00 0.00 179.45 176.05 2wfm h TYR 128 N -0.84 -1.25 -0.03 -1.35 3.20 0.56 -2.12 116.97 115.14 2wfm h TYR 128 Ca -0.05 0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.89 2wfm h TYR 128 Cb 0.53 0.54 -0.06 0.00 1.54 0.00 0.00 36.73 39.28 2wfm h TYR 128 CO 0.03 -0.52 -0.47 -0.91 -1.64 0.00 0.00 178.16 174.65 2wfm h ASN 129 N -0.64 -1.44 0.00 -2.11 -0.26 -1.06 0.12 115.58 110.19 2wfm h ASN 129 Ca 0.03 0.17 0.00 0.00 -0.56 0.00 0.00 56.30 55.94 2wfm h ASN 129 Cb 0.68 0.56 0.00 0.00 -1.06 0.00 0.00 38.32 38.50 2wfm h ASN 129 CO -0.29 -0.48 0.52 -0.33 -1.06 0.00 0.00 177.43 175.79 2wfm h GLU 130 N -0.60 0.00 0.00 0.81 5.08 -1.11 -2.91 114.58 115.85 2wfm h GLU 130 Ca 0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2wfm h GLU 130 Cb 0.68 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 2wfm h GLU 130 CO -0.35 0.00 -1.07 1.17 -1.00 0.00 0.00 179.01 177.76 2wfm n LYS 131 N -2.46 3.40 -2.93 2.33 3.00 -0.61 -5.06 118.16 115.84 2wfm n LYS 131 Ca -0.01 -0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.98 2wfm n LYS 131 Cb 0.54 -1.03 -0.05 0.00 0.00 0.00 0.00 35.03 34.49 2wfm n LYS 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wfm n PRO 133 N -0.82 1.13 0.18 0.00 -0.04 -1.26 -4.89 135.00 129.30 2wfm n PRO 133 Ca 0.04 0.41 0.13 0.00 -0.04 0.00 0.00 63.50 64.04 2wfm n PRO 133 Cb 0.54 -2.00 0.36 0.00 -0.04 0.00 0.00 33.50 32.36 2wfm n PRO 133 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wfm h ALA 134 N 1.16 1.00 -0.73 0.55 0.00 -1.95 -2.77 119.26 116.52 2wfm h ALA 134 Ca -0.45 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.16 2wfm h ALA 134 Cb 1.35 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.96 2wfm h ALA 134 CO 0.54 0.00 0.38 -0.40 0.00 0.00 0.00 179.25 179.78 2wfm n ASP 135 N -2.71 4.07 -0.37 0.00 3.85 -1.26 -4.58 116.55 115.55 2wfm n ASP 135 Ca 0.04 -3.18 0.00 0.00 -0.71 0.00 0.00 54.79 50.94 2wfm n ASP 135 Cb 0.43 -0.75 0.15 0.00 -1.35 0.00 0.00 41.12 39.60 2wfm n ASP 135 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2wfm h MET 136 N 1.64 1.23 0.00 0.11 -0.00 -1.85 -2.15 114.93 113.91 2wfm h MET 136 Ca 0.37 -0.07 0.00 0.00 -0.00 0.00 0.00 59.70 60.00 2wfm h MET 136 Cb 2.33 -0.28 0.00 0.00 -0.00 0.00 0.00 31.60 33.65 2wfm h MET 136 CO 0.78 0.81 0.00 -1.33 -0.00 0.00 0.00 176.91 177.17 2wfm n MET 137 N -4.43 0.97 0.00 -0.10 2.81 -1.26 -4.95 117.12 110.15 2wfm n MET 137 Ca 0.13 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.02 2wfm n MET 137 Cb 0.09 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 2wfm n MET 137 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2wfm n LEU 138 N -1.01 0.00 -1.33 4.03 4.77 -0.81 -2.05 117.00 120.59 2wfm n LEU 138 Ca 0.23 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.18 2wfm n LEU 138 Cb 0.11 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.35 2wfm n LEU 138 CO 0.18 0.00 0.68 -0.90 -1.33 0.00 0.00 177.39 176.02 2wfm n ASP 139 N 3.57 3.27 -4.79 -1.43 5.75 -1.26 -4.95 116.55 116.71 2wfm n ASP 139 Ca 0.00 -2.57 -0.36 0.00 -0.01 0.00 0.00 54.79 51.85 2wfm n ASP 139 Cb 0.00 -0.62 -0.05 0.00 -1.03 0.00 0.00 41.12 39.43 2wfm n ASP 139 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2wfm s SER 140 N -0.23 6.80 -0.21 -1.12 0.01 -0.87 -4.23 113.70 113.84 2wfm s SER 140 Ca 0.26 1.95 -0.05 0.00 1.31 0.00 0.00 55.95 59.42 2wfm s SER 140 Cb 0.21 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.84 2wfm s SER 140 CO 0.06 -0.46 0.01 -1.10 0.41 0.00 0.00 173.24 172.16 2wfm s GLN 141 N -2.63 3.60 0.04 12.44 -0.21 -0.01 -4.88 119.66 128.01 2wfm s GLN 141 Ca 0.59 -0.52 0.01 0.00 0.02 0.00 0.00 55.36 55.46 2wfm s GLN 141 Cb -0.19 -3.12 -0.04 0.00 1.00 0.00 0.00 33.01 30.66 2wfm s GLN 141 CO 0.24 -0.05 0.10 -0.06 -2.12 0.00 0.00 175.29 173.40 2wfm s PHE 142 N 1.16 3.28 0.22 0.91 0.08 -1.26 -0.74 117.98 121.63 2wfm s PHE 142 Ca 0.03 0.16 -0.14 0.00 0.12 0.00 0.00 56.93 57.09 2wfm s PHE 142 Cb -0.14 -1.69 0.01 0.00 -0.57 0.00 0.00 43.02 40.62 2wfm s PHE 142 CO 0.01 0.54 0.48 -1.54 -0.10 0.00 0.00 175.22 174.62 2wfm s SER 143 N -2.16 -0.14 0.26 1.36 1.04 -0.35 -5.00 113.70 108.72 2wfm s SER 143 Ca 0.28 -0.75 -0.01 0.00 0.48 0.00 0.00 55.95 55.95 2wfm s SER 143 Cb -0.12 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 2wfm s SER 143 CO 0.20 -1.09 0.47 0.42 0.98 0.00 0.00 173.24 174.22 2wfm s THR 144 N -3.96 5.15 0.20 2.02 -4.23 -1.26 0.20 115.64 113.76 2wfm s THR 144 Ca 0.16 -0.36 -0.23 0.00 -1.18 0.00 0.00 61.69 60.09 2wfm s THR 144 Cb -0.01 -3.78 0.05 0.00 1.34 0.00 0.00 72.50 70.11 2wfm s THR 144 CO 0.04 -0.32 0.74 -0.72 -0.54 0.00 0.00 174.62 173.81 2wfm s TYR 145 N -2.05 -0.30 0.00 3.99 -0.85 -0.66 -4.85 117.35 112.63 2wfm s TYR 145 Ca 0.40 -0.03 0.00 0.00 -0.52 0.00 0.00 57.07 56.92 2wfm s TYR 145 Cb -0.10 0.64 0.00 0.00 0.38 0.00 0.00 41.96 42.87 2wfm s TYR 145 CO 0.31 -0.99 0.00 0.41 -1.52 0.00 0.00 175.55 173.76 2wfm n GLY 146 N -0.42 -1.08 4.01 5.49 0.00 -1.26 0.06 105.19 111.99 2wfm n GLY 146 Ca -0.09 -1.71 -0.20 0.00 0.00 0.00 0.00 46.02 44.02 2wfm n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wfm s ASN 147 N -4.00 5.17 0.00 1.61 4.22 -1.20 -4.91 114.94 115.82 2wfm s ASN 147 Ca 0.00 -0.79 0.00 0.00 -2.14 0.00 0.00 52.86 49.93 2wfm s ASN 147 Cb 0.00 0.08 0.00 0.00 1.28 0.00 0.00 41.25 42.61 2wfm s ASN 147 CO 0.00 -1.18 0.29 -0.81 -2.04 0.00 0.00 177.10 173.36 2wfm n PRO 148 N -2.09 0.00 0.06 3.55 -0.04 -1.26 -2.25 135.00 132.97 2wfm n PRO 148 Ca 0.12 0.20 0.05 0.00 -0.04 0.00 0.00 63.50 63.83 2wfm n PRO 148 Cb 0.61 -0.79 0.24 0.00 -0.04 0.00 0.00 33.50 33.53 2wfm n PRO 148 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2wfm n GLU 149 N -0.49 0.06 -3.28 0.54 2.13 -1.26 -4.02 120.64 114.33 2wfm n GLU 149 Ca 0.00 0.54 -0.07 0.00 0.66 0.00 0.00 57.16 58.29 2wfm n GLU 149 Cb 0.00 -1.68 -0.05 0.00 0.27 0.00 0.00 31.44 29.98 2wfm n GLU 149 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2wfm s ASN 150 N -3.42 -0.01 -0.05 4.31 2.47 -1.21 -5.15 114.94 111.88 2wfm s ASN 150 Ca -0.01 -0.50 -0.03 0.00 0.42 0.00 0.00 52.86 52.75 2wfm s ASN 150 Cb 0.03 1.26 -0.04 0.00 -1.45 0.00 0.00 41.25 41.05 2wfm s ASN 150 CO 0.09 -0.31 0.09 -2.16 -3.72 0.00 0.00 177.10 171.09 2wfm s PRO 151 N 2.37 3.17 0.56 0.43 0.04 -0.96 -3.27 135.00 137.34 2wfm s PRO 151 Ca 0.11 -0.37 -0.08 0.00 0.04 0.00 0.00 61.00 60.71 2wfm s PRO 151 Cb -0.11 -2.95 -0.03 0.00 0.04 0.00 0.00 34.50 31.45 2wfm s PRO 151 CO -0.24 0.69 0.92 0.20 0.04 0.00 0.00 177.00 178.62 2wfm s GLY 152 N -1.39 1.58 -0.35 0.56 0.00 0.11 -4.86 107.32 102.97 2wfm s GLY 152 Ca 0.19 -0.34 -0.09 0.00 0.00 0.00 0.00 44.72 44.48 2wfm s GLY 152 CO 0.09 -0.11 0.16 -0.29 0.00 0.00 0.00 173.10 172.96 2wfm s MET 153 N -4.99 2.83 0.20 2.90 1.75 -1.26 -1.65 119.30 119.09 2wfm s MET 153 Ca 0.52 -1.06 -0.00 0.00 -1.25 0.00 0.00 55.69 53.90 2wfm s MET 153 Cb -0.11 -3.60 -0.04 0.00 2.84 0.00 0.00 34.83 33.92 2wfm s MET 153 CO 0.49 -0.64 0.38 -1.54 -0.65 0.00 0.00 175.02 173.06 2wfm s SER 154 N 1.51 6.38 0.04 1.11 1.04 0.13 -4.45 113.70 119.46 2wfm s SER 154 Ca 0.01 0.37 0.02 0.00 0.48 0.00 0.00 55.95 56.83 2wfm s SER 154 Cb -0.19 -2.00 -0.02 0.00 0.10 0.00 0.00 66.02 63.91 2wfm s SER 154 CO 0.05 -0.04 -0.07 0.00 0.98 0.00 0.00 173.24 174.17 2wfm s MET 155 N -3.33 0.50 -0.09 4.02 0.23 0.25 -1.21 119.30 119.67 2wfm s MET 155 Ca 0.38 -0.76 0.05 0.00 -1.03 0.00 0.00 55.69 54.32 2wfm s MET 155 Cb -0.11 -0.19 -0.00 0.00 -1.53 0.00 0.00 34.83 32.99 2wfm s MET 155 CO 0.29 0.02 -0.24 0.42 -2.03 0.00 0.00 175.02 173.48 2wfm s ILE 156 N -1.54 2.05 0.26 3.16 1.01 0.08 -1.31 121.20 124.90 2wfm s ILE 156 Ca -0.10 -1.03 -0.30 0.00 0.00 0.00 0.00 60.65 59.22 2wfm s ILE 156 Cb -0.09 -1.76 -0.09 0.00 0.01 0.00 0.00 42.46 40.53 2wfm s ILE 156 CO -0.00 0.56 1.15 -0.76 0.00 0.00 0.00 174.94 175.89 2wfm s LEU 157 N 0.20 4.51 0.39 2.97 1.43 -1.26 -0.83 118.68 126.09 2wfm s LEU 157 Ca -0.15 2.30 -0.13 0.00 -1.03 0.00 0.00 54.13 55.12 2wfm s LEU 157 Cb -0.17 -3.62 -0.08 0.00 0.03 0.00 0.00 46.19 42.35 2wfm s LEU 157 CO 0.07 -0.25 0.80 -0.83 0.23 0.00 0.00 176.35 176.38 2wfm s GLY 158 N -0.55 2.12 0.31 -3.19 0.00 -1.26 -4.81 107.32 99.94 2wfm s GLY 158 Ca 0.47 -0.03 0.11 0.00 0.00 0.00 0.00 44.72 45.28 2wfm s GLY 158 CO 0.41 0.18 1.69 -0.56 0.00 0.00 0.00 173.10 174.82 2wfm h PRO 159 N 1.60 0.00 -0.06 2.90 0.13 -1.96 -0.55 132.00 134.06 2wfm h PRO 159 Ca -0.47 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.54 2wfm h PRO 159 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 2wfm h PRO 159 CO 0.64 0.53 -0.41 1.96 -0.23 0.00 0.00 178.00 180.49 2wfm h GLN 160 N 0.00 0.39 -0.85 0.86 1.08 -1.95 -1.37 115.11 113.27 2wfm h GLN 160 Ca -0.01 -0.34 0.09 0.00 -1.45 0.00 0.00 58.65 56.95 2wfm h GLN 160 Cb 0.94 0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 28.39 2wfm h GLN 160 CO 0.07 0.98 0.55 0.35 -0.95 0.00 0.00 178.83 179.84 2wfm h PHE 161 N -0.10 0.90 0.49 2.96 3.57 -1.76 0.58 116.94 123.58 2wfm h PHE 161 Ca -0.03 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 2wfm h PHE 161 Cb 1.08 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.54 2wfm h PHE 161 CO 0.13 0.42 -0.24 0.52 -2.23 0.00 0.00 178.31 176.92 2wfm h MET 162 N 0.84 -0.63 -0.73 1.11 2.86 -1.07 -0.17 114.93 117.14 2wfm h MET 162 Ca 0.39 0.04 0.14 0.00 -2.06 0.00 0.00 59.70 58.21 2wfm h MET 162 Cb 0.40 0.14 -0.09 0.00 0.06 0.00 0.00 31.60 32.11 2wfm h MET 162 CO -0.16 -0.34 0.27 0.00 1.06 0.00 0.00 176.91 177.74 2wfm h ALA 163 N -0.81 1.00 0.00 6.32 0.00 -0.77 -1.20 119.26 123.81 2wfm h ALA 163 Ca -0.07 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2wfm h ALA 163 Cb 0.59 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2wfm h ALA 163 CO 0.11 -0.23 -1.92 1.28 0.00 0.00 0.00 179.25 178.49 2wfm n LEU 164 N -5.03 0.19 -0.00 0.00 4.77 0.15 -2.68 117.00 114.40 2wfm n LEU 164 Ca 0.13 0.08 0.03 0.00 -0.03 0.00 0.00 56.01 56.23 2wfm n LEU 164 Cb 0.40 0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 2wfm n LEU 164 CO 0.18 0.11 -0.46 0.29 -1.33 0.00 0.00 177.39 176.18 2wfm n LYS 165 N -2.49 1.21 0.00 3.23 4.76 -0.09 -4.67 118.16 120.12 2wfm n LYS 165 Ca -0.11 -0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 2wfm n LYS 165 Cb 0.74 -1.09 0.00 0.00 -1.84 0.00 0.00 35.03 32.84 2wfm n LYS 165 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2wfm n MET 166 N -1.61 0.68 -0.22 1.97 2.81 -0.76 -3.55 117.12 116.44 2wfm n MET 166 Ca -0.01 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 55.97 2wfm n MET 166 Cb 0.16 -0.90 0.14 0.00 -0.71 0.00 0.00 33.22 31.91 2wfm n MET 166 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2wfm n PHE 167 N -2.17 0.00 0.06 2.03 3.72 -0.53 -3.18 117.46 117.40 2wfm n PHE 167 Ca 0.00 -1.00 0.06 0.00 -0.05 0.00 0.00 57.45 56.46 2wfm n PHE 167 Cb 0.40 -0.16 0.50 0.00 -0.94 0.00 0.00 39.48 39.28 2wfm n PHE 167 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 2wfm h GLN 168 N 0.19 0.36 -0.41 -1.08 -0.00 -1.71 -1.47 115.11 110.99 2wfm h GLN 168 Ca -0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.62 2wfm h GLN 168 Cb 1.05 -0.08 0.00 0.00 -0.00 0.00 0.00 27.48 28.44 2wfm h GLN 168 CO 0.00 0.24 0.00 0.09 -0.00 0.00 0.00 178.83 179.16 2wfm n ASN 169 N -4.49 2.86 -4.93 0.06 4.13 -1.26 -4.93 115.26 106.70 2wfm n ASN 169 Ca 0.02 -1.93 -0.19 0.00 1.68 0.00 0.00 54.58 54.16 2wfm n ASN 169 Cb 0.11 -0.27 -0.02 0.00 -1.54 0.00 0.00 39.78 38.07 2wfm n ASN 169 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2wfm s SER 171 N -4.21 4.72 0.45 0.00 1.04 -1.26 -4.91 113.70 109.52 2wfm s SER 171 Ca 0.51 1.75 0.20 0.00 0.48 0.00 0.00 55.95 58.88 2wfm s SER 171 Cb -0.06 -2.50 1.06 0.00 0.10 0.00 0.00 66.02 64.63 2wfm s SER 171 CO 0.30 -1.89 1.95 -0.37 0.98 0.00 0.00 173.24 174.21 2wfm h VAL 172 N -1.03 0.91 -0.31 5.02 -1.51 -1.99 -2.09 116.25 115.25 2wfm h VAL 172 Ca -0.44 -0.87 -0.12 0.00 -1.23 0.00 0.00 66.70 64.03 2wfm h VAL 172 Cb 1.23 1.51 -0.01 0.00 -2.13 0.00 0.00 31.29 31.89 2wfm h VAL 172 CO 0.53 0.23 -0.29 1.05 -1.23 0.00 0.00 177.57 177.86 2wfm h GLU 173 N 0.00 0.74 -0.32 5.19 9.09 -1.99 0.48 114.58 127.78 2wfm h GLU 173 Ca -0.00 -0.39 -0.06 0.00 0.05 0.00 0.00 59.36 58.96 2wfm h GLU 173 Cb 0.49 0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 27.58 2wfm h GLU 173 CO 0.03 1.01 -0.06 -0.44 0.05 0.00 0.00 179.01 179.59 2wfm h ASP 174 N 0.50 0.49 -0.08 3.06 3.32 -1.87 -1.04 116.42 120.81 2wfm h ASP 174 Ca 0.05 -0.11 -0.13 0.00 0.02 0.00 0.00 57.03 56.86 2wfm h ASP 174 Cb 0.86 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 2wfm h ASP 174 CO 0.07 0.61 -0.38 0.25 -1.72 0.00 0.00 179.24 178.07 2wfm h LEU 175 N 0.48 0.62 -0.08 1.55 5.85 -1.24 -1.96 115.31 120.53 2wfm h LEU 175 Ca 0.10 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2wfm h LEU 175 Cb 0.41 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 2wfm h LEU 175 CO 0.02 0.94 0.00 -0.08 -0.34 0.00 0.00 178.44 178.98 2wfm h GLU 176 N 0.49 0.14 -0.19 1.25 4.57 -0.47 -1.99 114.58 118.39 2wfm h GLU 176 Ca 0.05 -0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.24 2wfm h GLU 176 Cb 0.88 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.40 2wfm h GLU 176 CO 0.08 0.40 -0.20 1.25 -1.18 0.00 0.00 179.01 179.36 2wfm h LEU 177 N -0.13 -0.62 -2.06 1.64 5.85 -1.21 -1.80 115.31 116.99 2wfm h LEU 177 Ca 0.02 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2wfm h LEU 177 Cb 0.33 0.29 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 2wfm h LEU 177 CO 0.00 -0.24 -0.04 0.00 -0.34 0.00 0.00 178.44 177.82 2wfm h ALA 178 N 0.84 1.75 0.00 1.25 0.00 -1.30 -2.12 119.26 119.69 2wfm h ALA 178 Ca 0.12 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2wfm h ALA 178 Cb 0.40 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2wfm h ALA 178 CO -0.32 0.06 -0.58 0.87 0.00 0.00 0.00 179.25 179.28 2wfm h LYS 179 N 0.00 0.00 0.00 0.00 1.57 -0.56 -0.94 116.57 116.64 2wfm h LYS 179 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wfm h LYS 179 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2wfm h LYS 179 CO 0.01 0.58 -0.18 -1.33 -0.57 0.00 0.00 179.45 177.95 2wfm n MET 180 N -3.76 0.27 0.00 3.15 2.81 -0.85 -4.47 117.12 114.27 2wfm n MET 180 Ca -0.01 0.18 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 2wfm n MET 180 Cb 0.60 -1.77 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 2wfm n MET 180 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2wfm n LEU 181 N -2.22 0.00 -4.76 4.03 4.77 -0.86 -5.04 117.00 112.91 2wfm n LEU 181 Ca 0.05 -0.02 -0.38 0.00 -0.03 0.00 0.00 56.01 55.62 2wfm n LEU 181 Cb 0.43 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.53 2wfm n LEU 181 CO 0.32 0.00 0.92 0.28 -1.33 0.00 0.00 177.39 177.58 2wfm s THR 182 N -1.89 2.65 0.18 -5.08 -1.32 -0.38 -4.72 115.64 105.07 2wfm s THR 182 Ca 0.00 0.52 0.03 0.00 -1.21 0.00 0.00 61.69 61.04 2wfm s THR 182 Cb 0.00 -3.28 -0.05 0.00 -1.51 0.00 0.00 72.50 67.66 2wfm s THR 182 CO 0.00 0.03 -0.04 -0.13 -2.21 0.00 0.00 174.62 172.26 2wfm s ARG 183 N -2.57 1.16 0.66 7.08 0.52 -1.22 -5.02 118.95 119.56 2wfm s ARG 183 Ca 0.63 -1.55 -0.17 0.00 -0.52 0.00 0.00 55.73 54.12 2wfm s ARG 183 Cb -0.35 -0.53 -0.00 0.00 0.52 0.00 0.00 34.95 34.58 2wfm s ARG 183 CO 0.44 -0.03 1.23 -2.14 0.02 0.00 0.00 175.30 174.81 2wfm s PRO 184 N -3.83 2.58 0.36 3.54 0.02 -1.26 -4.54 135.00 131.87 2wfm s PRO 184 Ca 0.22 1.85 -0.07 0.00 0.02 0.00 0.00 61.00 63.02 2wfm s PRO 184 Cb 0.04 -1.88 0.02 0.00 0.02 0.00 0.00 34.50 32.71 2wfm s PRO 184 CO 0.04 -1.52 0.60 0.20 -0.33 0.00 0.00 177.00 175.99 2wfm s GLY 185 N -1.72 1.08 0.20 0.52 0.00 -0.43 -4.81 107.32 102.17 2wfm s GLY 185 Ca 0.77 -1.24 -0.10 0.00 0.00 0.00 0.00 44.72 44.16 2wfm s GLY 185 CO 0.39 -0.74 0.35 -0.45 0.00 0.00 0.00 173.10 172.65 2wfm s SER 186 N -3.18 -0.01 0.00 1.64 0.15 -1.26 0.86 113.70 111.90 2wfm s SER 186 Ca 0.25 -0.94 0.06 0.00 0.70 0.00 0.00 55.95 56.02 2wfm s SER 186 Cb -0.02 0.49 0.08 0.00 -1.71 0.00 0.00 66.02 64.86 2wfm s SER 186 CO 0.17 -0.99 0.80 0.18 1.20 0.00 0.00 173.24 174.60 2wfm n LEU 187 N -0.29 1.74 -2.03 3.45 4.77 -1.26 -4.92 117.00 118.46 2wfm n LEU 187 Ca -0.04 -1.25 -0.17 0.00 -0.03 0.00 0.00 56.01 54.52 2wfm n LEU 187 Cb 0.63 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.65 2wfm n LEU 187 CO 0.24 0.39 -0.19 0.49 -1.33 0.00 0.00 177.39 176.99 2wfm n PHE 188 N 0.26 -0.78 -0.36 -1.77 3.72 -1.26 -4.83 117.46 112.44 2wfm n PHE 188 Ca 0.04 0.00 0.27 0.00 -0.05 0.00 0.00 57.45 57.71 2wfm n PHE 188 Cb 0.20 -3.23 0.53 0.00 -0.94 0.00 0.00 39.48 36.04 2wfm n PHE 188 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 2wfm h PHE 189 N 0.00 0.77 0.00 1.38 3.57 -1.95 0.59 116.94 121.30 2wfm h PHE 189 Ca -0.38 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.15 2wfm h PHE 189 Cb 1.21 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.74 2wfm h PHE 189 CO 0.56 -0.13 -0.03 1.96 -2.23 0.00 0.00 178.31 178.44 2wfm h GLN 190 N 0.28 0.00 0.02 1.11 7.50 -1.93 -0.67 115.11 121.43 2wfm h GLN 190 Ca 0.73 0.00 -0.38 0.00 0.50 0.00 0.00 58.65 59.50 2wfm h GLN 190 Cb 1.87 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 29.33 2wfm h GLN 190 CO -0.49 0.03 -2.38 -3.47 -1.50 0.00 0.00 178.83 171.01 2wfm n ASP 191 N -3.16 1.63 0.09 1.46 -0.08 0.20 -3.88 116.55 112.80 2wfm n ASP 191 Ca -0.01 -0.06 0.02 0.00 -1.51 0.00 0.00 54.79 53.24 2wfm n ASP 191 Cb 0.25 -0.21 0.37 0.00 2.34 0.00 0.00 41.12 43.87 2wfm n ASP 191 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2wfm h LEU 192 N 0.01 0.28 -0.96 -2.67 3.38 -1.16 -2.64 115.31 111.56 2wfm h LEU 192 Ca -0.55 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.37 2wfm h LEU 192 Cb 1.98 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 42.61 2wfm h LEU 192 CO -0.04 0.42 0.60 0.00 0.09 0.00 0.00 178.44 179.50 2wfm h ALA 193 N 1.62 1.22 -0.83 1.53 0.00 -1.28 -2.95 119.26 118.57 2wfm h ALA 193 Ca 0.06 -0.09 -0.54 0.00 0.00 0.00 0.00 54.91 54.34 2wfm h ALA 193 Cb 0.35 -0.39 -0.25 0.00 0.00 0.00 0.00 17.79 17.51 2wfm h ALA 193 CO 0.02 0.66 0.70 1.63 0.00 0.00 0.00 179.25 182.26 2wfm n LYS 194 N -4.37 2.34 -4.81 0.00 5.02 -1.00 -4.97 118.16 110.38 2wfm n LYS 194 Ca 0.11 -2.70 -0.26 0.00 -2.02 0.00 0.00 58.31 53.43 2wfm n LYS 194 Cb 0.04 -2.06 -0.15 0.00 -0.02 0.00 0.00 35.03 32.85 2wfm n LYS 194 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wfm s ALA 195 N -3.12 1.75 0.07 7.82 0.00 -1.11 -5.02 121.76 122.15 2wfm s ALA 195 Ca 0.53 -0.99 -0.34 0.00 0.00 0.00 0.00 51.96 51.16 2wfm s ALA 195 Cb 0.42 -0.38 -0.14 0.00 0.00 0.00 0.00 23.12 23.02 2wfm s ALA 195 CO 0.01 0.41 1.64 0.36 0.00 0.00 0.00 175.76 178.18 2wfm n LYS 196 N 2.16 2.03 -1.46 0.00 2.85 -1.26 -4.85 118.16 117.63 2wfm n LYS 196 Ca -0.16 0.74 -0.35 0.00 -1.05 0.00 0.00 58.31 57.49 2wfm n LYS 196 Cb 0.53 -2.51 0.09 0.00 -0.65 0.00 0.00 35.03 32.49 2wfm n LYS 196 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 2wfm s LYS 197 N 1.79 2.17 0.41 -1.58 0.00 -1.26 -4.93 119.74 116.33 2wfm s LYS 197 Ca 0.84 1.80 -0.24 0.00 0.00 0.00 0.00 55.97 58.36 2wfm s LYS 197 Cb -0.72 -1.83 -0.08 0.00 0.00 0.00 0.00 37.83 35.19 2wfm s LYS 197 CO 0.43 -1.82 1.11 -0.06 0.00 0.00 0.00 175.35 175.01 2wfm s PHE 198 N -1.92 3.14 0.29 1.78 0.08 -1.26 -5.03 117.98 115.06 2wfm s PHE 198 Ca 0.75 1.60 -0.05 0.00 0.12 0.00 0.00 56.93 59.35 2wfm s PHE 198 Cb -0.30 -3.25 -0.05 0.00 -0.57 0.00 0.00 43.02 38.84 2wfm s PHE 198 CO 0.45 -0.99 0.56 -1.54 -0.10 0.00 0.00 175.22 173.59 2wfm s SER 199 N -1.39 6.46 0.26 1.36 1.04 -1.26 -4.63 113.70 115.53 2wfm s SER 199 Ca 0.59 0.74 0.12 0.00 0.48 0.00 0.00 55.95 57.88 2wfm s SER 199 Cb -0.26 -2.16 0.29 0.00 0.10 0.00 0.00 66.02 63.99 2wfm s SER 199 CO 0.32 -0.19 1.56 0.71 0.98 0.00 0.00 173.24 176.62 2wfm h THR 200 N 1.39 1.34 0.01 2.02 1.35 -1.96 -1.55 112.91 115.52 2wfm h THR 200 Ca -0.48 -2.27 0.03 0.00 -0.55 0.00 0.00 66.41 63.14 2wfm h THR 200 Cb 1.19 2.27 -0.05 0.00 -1.73 0.00 0.00 68.15 69.82 2wfm h THR 200 CO 0.66 0.62 -0.39 -0.33 -0.25 0.00 0.00 175.52 175.83 2wfm h GLU 201 N 0.00 -0.54 0.00 4.72 3.07 -1.93 -2.89 114.58 117.01 2wfm h GLU 201 Ca -0.01 0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 2wfm h GLU 201 Cb 1.21 0.12 0.00 0.00 -0.84 0.00 0.00 28.75 29.25 2wfm h GLU 201 CO 0.08 -0.36 -0.56 0.54 -1.40 0.00 0.00 179.01 177.31 2wfm n ARG 202 N -5.44 0.31 -0.19 2.33 1.74 -1.19 -3.75 116.66 110.47 2wfm n ARG 202 Ca -0.06 0.16 0.03 0.00 -0.77 0.00 0.00 57.85 57.22 2wfm n ARG 202 Cb 0.36 -1.09 0.30 0.00 -1.02 0.00 0.00 32.46 31.01 2wfm n ARG 202 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 2wfm h TYR 203 N -0.60 0.85 0.00 -1.55 3.20 -1.44 -2.79 116.97 114.63 2wfm h TYR 203 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2wfm h TYR 203 Cb 0.56 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.55 2wfm h TYR 203 CO -0.24 0.50 0.00 0.41 -1.64 0.00 0.00 178.16 177.19 2wfm n GLY 204 N -1.43 -1.28 0.11 1.82 0.00 -1.06 -2.89 105.19 100.46 2wfm n GLY 204 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 2wfm n GLY 204 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wfm h SER 205 N 0.00 0.38 -2.52 1.61 4.64 -1.50 -3.46 113.55 112.71 2wfm h SER 205 Ca 0.00 -0.51 -0.55 0.00 -0.47 0.00 0.00 61.79 60.26 2wfm h SER 205 Cb 0.40 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2wfm h SER 205 CO 0.00 1.42 1.16 -0.69 -0.87 0.00 0.00 176.83 177.85 2wfm s VAL 206 N -2.62 3.39 0.48 0.95 1.01 -1.14 -4.99 120.40 117.47 2wfm s VAL 206 Ca -0.08 0.46 -0.23 0.00 0.00 0.00 0.00 61.98 62.14 2wfm s VAL 206 Cb 0.07 -3.32 -0.08 0.00 0.00 0.00 0.00 36.38 33.04 2wfm s VAL 206 CO 0.86 -0.07 1.08 0.29 0.00 0.00 0.00 175.10 177.26 2wfm n LYS 207 N 7.43 1.39 -4.42 2.72 4.76 -1.26 -4.87 118.16 123.90 2wfm n LYS 207 Ca 0.19 0.50 -0.26 0.00 -2.87 0.00 0.00 58.31 55.88 2wfm n LYS 207 Cb 0.43 -2.19 -0.11 0.00 -1.84 0.00 0.00 35.03 31.32 2wfm n LYS 207 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2wfm s ARG 208 N -2.33 1.68 -0.01 1.97 0.52 -1.26 -1.92 118.95 117.60 2wfm s ARG 208 Ca 0.67 -1.59 -0.20 0.00 -0.52 0.00 0.00 55.73 54.09 2wfm s ARG 208 Cb -0.49 -1.87 0.04 0.00 0.52 0.00 0.00 34.95 33.15 2wfm s ARG 208 CO 0.54 0.37 0.43 0.00 0.02 0.00 0.00 175.30 176.67 2wfm s ALA 209 N -2.03 -1.10 -0.03 2.13 0.00 -0.96 -1.12 121.76 118.65 2wfm s ALA 209 Ca 0.25 0.60 0.06 0.00 0.00 0.00 0.00 51.96 52.87 2wfm s ALA 209 Cb -0.07 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 2wfm s ALA 209 CO 0.13 -0.33 -0.20 -0.47 0.00 0.00 0.00 175.76 174.89 2wfm s TYR 210 N -1.51 1.81 -0.31 0.00 5.04 -0.64 0.20 117.35 121.94 2wfm s TYR 210 Ca -0.11 -0.41 -0.00 0.00 -2.44 0.00 0.00 57.07 54.11 2wfm s TYR 210 Cb -0.03 -1.18 0.07 0.00 0.35 0.00 0.00 41.96 41.17 2wfm s TYR 210 CO 0.05 -0.08 0.01 0.42 -1.34 0.00 0.00 175.55 174.61 2wfm s ILE 211 N -0.30 2.75 0.10 3.14 1.01 0.12 -0.43 121.20 127.60 2wfm s ILE 211 Ca 0.04 -1.68 -0.31 0.00 0.00 0.00 0.00 60.65 58.70 2wfm s ILE 211 Cb -0.09 -2.70 -0.07 0.00 0.01 0.00 0.00 42.46 39.60 2wfm s ILE 211 CO 0.00 -0.25 1.33 -0.36 0.00 0.00 0.00 174.94 175.66 2wfm s PHE 212 N 1.15 3.31 -0.34 3.97 0.08 0.34 -1.71 117.98 124.78 2wfm s PHE 212 Ca -0.02 1.08 -0.08 0.00 0.12 0.00 0.00 56.93 58.03 2wfm s PHE 212 Cb -0.20 -3.60 0.03 0.00 -0.57 0.00 0.00 43.02 38.68 2wfm s PHE 212 CO -0.03 -2.01 0.13 0.00 -0.10 0.00 0.00 175.22 173.20 2wfm h ASN 214 N 8.29 0.88 -0.79 0.00 4.21 -1.31 -3.22 115.58 123.64 2wfm h ASN 214 Ca -0.26 -0.13 -0.51 0.00 1.21 0.00 0.00 56.30 56.61 2wfm h ASN 214 Cb 1.10 -0.23 -0.28 0.00 -1.12 0.00 0.00 38.32 37.79 2wfm h ASN 214 CO 0.62 0.76 0.22 -0.62 -1.29 0.00 0.00 177.43 177.12 2wfm n GLU 215 N -4.46 2.64 -2.63 0.81 1.02 -0.75 -4.21 120.64 113.06 2wfm n GLU 215 Ca 0.05 -3.43 -0.42 0.00 -0.02 0.00 0.00 57.16 53.34 2wfm n GLU 215 Cb 0.13 -2.16 -0.03 0.00 -0.02 0.00 0.00 31.44 29.35 2wfm n GLU 215 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2wfm s ASP 216 N -2.33 6.46 0.00 1.62 -1.08 -1.05 -4.08 116.67 116.22 2wfm s ASP 216 Ca 0.56 -1.39 0.00 0.00 -0.52 0.00 0.00 52.55 51.19 2wfm s ASP 216 Cb 0.46 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 39.38 2wfm s ASP 216 CO 0.02 -1.48 0.41 0.29 0.52 0.00 0.00 175.17 174.93 2wfm n LYS 217 N 8.54 0.45 0.00 4.34 5.02 -1.26 -1.80 118.16 133.45 2wfm n LYS 217 Ca 0.26 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 2wfm n LYS 217 Cb 0.50 -1.05 0.00 0.00 -0.02 0.00 0.00 35.03 34.46 2wfm n LYS 217 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2wfm n SER 218 N -0.33 0.76 -2.92 4.39 3.41 -1.23 -4.83 113.62 112.87 2wfm n SER 218 Ca 0.00 -1.07 -0.07 0.00 -0.26 0.00 0.00 58.87 57.47 2wfm n SER 218 Cb 0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.96 2wfm n SER 218 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2wfm s PHE 219 N -0.07 -1.19 0.50 7.33 2.19 -0.75 -5.14 117.98 120.85 2wfm s PHE 219 Ca 0.00 -0.75 -0.23 0.00 0.33 0.00 0.00 56.93 56.28 2wfm s PHE 219 Cb 0.00 0.11 -0.07 0.00 -1.31 0.00 0.00 43.02 41.75 2wfm s PHE 219 CO 0.00 -1.19 1.31 -2.30 1.83 0.00 0.00 175.22 174.87 2wfm n PRO 220 N 3.12 1.79 -0.22 10.12 -0.02 -1.19 -4.63 135.00 143.97 2wfm n PRO 220 Ca 0.19 0.65 0.08 0.00 -2.02 0.00 0.00 63.50 62.39 2wfm n PRO 220 Cb 0.55 -2.49 0.35 0.00 -0.02 0.00 0.00 33.50 31.88 2wfm n PRO 220 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2wfm h VAL 221 N 1.70 0.98 -0.82 -1.45 3.04 -1.79 0.22 116.25 118.13 2wfm h VAL 221 Ca -0.50 -0.26 0.06 0.00 -1.01 0.00 0.00 66.70 64.99 2wfm h VAL 221 Cb 1.30 0.14 -0.05 0.00 -2.01 0.00 0.00 31.29 30.67 2wfm h VAL 221 CO 0.58 0.14 0.54 -0.33 -1.01 0.00 0.00 177.57 177.49 2wfm h GLU 222 N 0.77 0.89 0.00 4.17 5.08 -1.91 -3.07 114.58 120.52 2wfm h GLU 222 Ca 0.36 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 2wfm h GLU 222 Cb 0.37 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2wfm h GLU 222 CO -0.13 0.59 -0.35 0.35 -1.00 0.00 0.00 179.01 178.47 2wfm h PHE 223 N 0.92 0.00 0.12 4.33 3.57 -0.91 -2.95 116.94 122.01 2wfm h PHE 223 Ca 0.35 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 2wfm h PHE 223 Cb 0.20 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.94 2wfm h PHE 223 CO -0.00 0.04 -0.06 1.96 -2.23 0.00 0.00 178.31 178.02 2wfm h GLN 224 N 0.00 -0.15 -0.93 1.11 4.20 -1.32 -3.24 115.11 114.78 2wfm h GLN 224 Ca -0.00 0.01 0.16 0.00 0.06 0.00 0.00 58.65 58.88 2wfm h GLN 224 Cb 1.03 0.03 -0.16 0.00 0.30 0.00 0.00 27.48 28.69 2wfm h GLN 224 CO 0.00 0.26 -0.33 0.87 -0.67 0.00 0.00 178.83 178.96 2wfm h LYS 225 N -0.61 -0.02 -0.96 1.46 1.57 -1.53 -1.05 116.57 115.43 2wfm h LYS 225 Ca -0.02 0.00 0.22 0.00 -1.87 0.00 0.00 60.65 58.98 2wfm h LYS 225 Cb 0.48 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.68 2wfm h LYS 225 CO 0.03 -0.01 0.53 2.35 -0.57 0.00 0.00 179.45 181.77 2wfm h TRP 226 N -0.02 0.90 -0.16 -1.35 7.01 -1.55 -1.83 115.95 118.95 2wfm h TRP 226 Ca 0.37 0.04 -0.14 0.00 2.11 0.00 0.00 58.89 61.26 2wfm h TRP 226 Cb 0.62 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.43 2wfm h TRP 226 CO -0.80 0.08 -0.51 0.74 -2.79 0.00 0.00 178.44 175.16 2wfm h PHE 227 N 0.57 0.55 0.00 2.65 -1.00 -1.28 -2.53 116.94 115.91 2wfm h PHE 227 Ca 0.59 -0.19 -0.01 0.00 2.81 0.00 0.00 57.97 61.17 2wfm h PHE 227 Cb 1.06 -0.11 -0.00 0.00 3.61 0.00 0.00 35.95 40.51 2wfm h PHE 227 CO -0.05 0.87 -0.07 0.28 -1.61 0.00 0.00 178.31 177.73 2wfm h VAL 228 N 0.35 1.05 0.00 -0.55 2.07 -1.26 -2.40 116.25 115.52 2wfm h VAL 228 Ca 0.01 -0.23 -0.19 0.00 0.82 0.00 0.00 66.70 67.11 2wfm h VAL 228 Cb 1.02 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 2wfm h VAL 228 CO 0.09 0.07 -1.28 -0.33 0.02 0.00 0.00 177.57 176.14 2wfm h GLU 229 N 0.00 0.00 0.00 1.57 5.08 -1.42 0.44 114.58 120.25 2wfm h GLU 229 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wfm h GLU 229 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2wfm h GLU 229 CO 0.01 0.46 0.00 -1.13 -1.00 0.00 0.00 179.01 177.35 2wfm n SER 230 N -3.04 0.66 0.06 1.42 3.41 -0.97 -4.45 113.62 110.71 2wfm n SER 230 Ca -0.08 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 2wfm n SER 230 Cb 0.88 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 2wfm n SER 230 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2wfm n VAL 231 N -2.15 0.37 0.00 -3.33 0.31 -0.93 -5.04 118.33 107.57 2wfm n VAL 231 Ca 0.05 0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 2wfm n VAL 231 Cb 0.37 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.24 2wfm n VAL 231 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wfm n GLY 232 N 2.44 2.31 1.19 2.92 0.00 0.16 -5.06 105.19 109.14 2wfm n GLY 232 Ca 0.00 -1.89 -0.07 0.00 0.00 0.00 0.00 46.02 44.07 2wfm n GLY 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wfm n ALA 233 N 1.78 0.15 -0.01 4.61 0.00 -1.26 -4.97 120.51 120.81 2wfm n ALA 233 Ca 0.00 -0.68 0.01 0.00 0.00 0.00 0.00 53.44 52.77 2wfm n ALA 233 Cb 0.00 0.55 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 2wfm n ALA 233 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wfm n ASP 234 N -2.36 4.19 -3.80 0.00 8.00 -0.28 -4.93 116.55 117.38 2wfm n ASP 234 Ca 0.02 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.42 2wfm n ASP 234 Cb 0.22 0.99 -0.05 0.00 -0.02 0.00 0.00 41.12 42.26 2wfm n ASP 234 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2wfm s LYS 235 N -2.20 1.26 -0.27 -1.24 2.20 -1.19 -5.00 119.74 113.30 2wfm s LYS 235 Ca -0.01 -0.94 -0.09 0.00 -0.36 0.00 0.00 55.97 54.57 2wfm s LYS 235 Cb 0.02 0.47 0.12 0.00 -1.51 0.00 0.00 37.83 36.93 2wfm s LYS 235 CO 0.14 -0.51 0.58 0.14 -0.36 0.00 0.00 175.35 175.35 2wfm s VAL 236 N -3.89 -0.90 0.12 4.02 -7.23 -1.26 -1.62 120.40 109.64 2wfm s VAL 236 Ca 0.11 0.04 0.06 0.00 -1.81 0.00 0.00 61.98 60.38 2wfm s VAL 236 Cb 0.01 -0.91 -0.04 0.00 0.56 0.00 0.00 36.38 36.00 2wfm s VAL 236 CO -0.03 0.02 -0.01 -0.54 -0.31 0.00 0.00 175.10 174.22 2wfm s LYS 237 N 2.82 2.43 -0.05 4.82 1.02 0.43 -4.97 119.74 126.23 2wfm s LYS 237 Ca -0.03 -0.96 0.06 0.00 0.02 0.00 0.00 55.97 55.05 2wfm s LYS 237 Cb -0.12 -2.44 -0.01 0.00 -0.52 0.00 0.00 37.83 34.73 2wfm s LYS 237 CO -0.17 0.50 -0.24 -1.83 -0.92 0.00 0.00 175.35 172.69 2wfm s GLU 238 N -2.53 2.47 -0.24 1.68 -1.05 -1.26 -0.51 118.70 117.27 2wfm s GLU 238 Ca 0.26 -0.88 -0.04 0.00 -0.15 0.00 0.00 54.97 54.16 2wfm s GLU 238 Cb -0.11 -2.18 0.00 0.00 -0.44 0.00 0.00 34.13 31.41 2wfm s GLU 238 CO 0.18 0.45 -0.03 0.42 0.95 0.00 0.00 175.26 177.23 2wfm s ILE 239 N -0.31 3.39 0.18 1.83 1.01 0.70 -4.93 121.20 123.06 2wfm s ILE 239 Ca 0.01 -0.61 -0.10 0.00 0.00 0.00 0.00 60.65 59.95 2wfm s ILE 239 Cb -0.13 -2.61 0.09 0.00 0.01 0.00 0.00 42.46 39.83 2wfm s ILE 239 CO 0.02 0.33 1.70 0.11 0.00 0.00 0.00 174.94 177.10 2wfm h LYS 240 N 8.12 1.05 -0.15 2.79 1.57 -1.98 -1.30 116.57 126.66 2wfm h LYS 240 Ca -0.38 -0.26 -0.12 0.00 -1.87 0.00 0.00 60.65 58.02 2wfm h LYS 240 Cb 1.15 -0.14 -0.11 0.00 0.08 0.00 0.00 32.23 33.21 2wfm h LYS 240 CO 0.60 0.94 -0.60 0.39 -0.57 0.00 0.00 179.45 180.22 2wfm n GLU 241 N -4.29 1.92 -3.46 3.15 1.02 -1.26 -4.01 120.64 113.71 2wfm n GLU 241 Ca 0.04 -3.42 -0.38 0.00 -0.02 0.00 0.00 57.16 53.38 2wfm n GLU 241 Cb 0.25 -1.68 -0.08 0.00 -0.02 0.00 0.00 31.44 29.92 2wfm n GLU 241 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wfm s ALA 242 N -3.17 3.57 1.00 0.62 0.00 -1.24 -4.82 121.76 117.73 2wfm s ALA 242 Ca 0.40 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.71 2wfm s ALA 242 Cb 0.38 -2.57 0.00 0.00 0.00 0.00 0.00 23.12 20.93 2wfm s ALA 242 CO -0.05 -0.32 0.00 -0.40 0.00 0.00 0.00 175.76 174.99 2wfm n ASP 243 N 4.53 -0.02 0.29 0.00 5.68 -1.26 -1.80 116.55 123.96 2wfm n ASP 243 Ca -0.10 -0.03 0.13 0.00 -0.50 0.00 0.00 54.79 54.29 2wfm n ASP 243 Cb 0.51 0.00 0.84 0.00 -1.14 0.00 0.00 41.12 41.33 2wfm n ASP 243 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wfm h ALA 244 N -2.00 1.58 -1.84 2.12 0.00 -1.78 -3.21 119.26 114.13 2wfm h ALA 244 Ca 0.00 -0.02 -0.74 0.00 0.00 0.00 0.00 54.91 54.15 2wfm h ALA 244 Cb 0.00 -0.00 -0.32 0.00 0.00 0.00 0.00 17.79 17.46 2wfm h ALA 244 CO 0.00 0.02 0.40 -1.33 0.00 0.00 0.00 179.25 178.34 2wfm n MET 245 N -3.95 4.21 0.07 0.00 2.81 -1.21 -4.86 117.12 114.17 2wfm n MET 245 Ca -0.03 -4.65 0.07 0.00 -1.81 0.00 0.00 57.70 51.28 2wfm n MET 245 Cb 0.10 -2.42 0.52 0.00 -0.71 0.00 0.00 33.22 30.72 2wfm n MET 245 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2wfm h GLY 246 N 4.54 0.36 2.00 3.03 0.00 -1.89 0.28 103.07 111.39 2wfm h GLY 246 Ca 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2wfm h GLY 246 CO 1.13 0.11 0.00 1.15 0.00 0.00 0.00 176.54 178.93 2wfm n MET 247 N -4.49 0.18 -0.06 4.80 0.00 -1.26 0.21 117.12 116.50 2wfm n MET 247 Ca 0.03 0.29 -0.07 0.00 0.00 0.00 0.00 57.70 57.96 2wfm n MET 247 Cb 0.15 -1.77 -0.08 0.00 0.00 0.00 0.00 33.22 31.52 2wfm n MET 247 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2wfm n LEU 248 N -2.10 0.86 0.10 3.17 4.77 -0.54 -3.88 117.00 119.39 2wfm n LEU 248 Ca 0.04 -0.02 -0.23 0.00 -0.03 0.00 0.00 56.01 55.77 2wfm n LEU 248 Cb 0.30 0.05 -0.13 0.00 -2.33 0.00 0.00 43.42 41.31 2wfm n LEU 248 CO 0.23 0.40 -0.09 0.77 -1.33 0.00 0.00 177.39 177.38 2wfm h SER 249 N 0.00 0.87 -0.96 -1.43 4.64 -0.96 -3.41 113.55 112.30 2wfm h SER 249 Ca -0.30 -0.84 -0.35 0.00 -0.47 0.00 0.00 61.79 59.83 2wfm h SER 249 Cb 1.62 -0.28 -0.40 0.00 -0.31 0.00 0.00 62.40 63.03 2wfm h SER 249 CO -0.00 1.62 -1.18 0.00 -0.87 0.00 0.00 176.83 176.40 2wfm n GLN 250 N -3.80 1.16 -0.12 4.77 1.13 0.13 -4.94 117.38 115.72 2wfm n GLN 250 Ca -0.14 -3.23 -0.05 0.00 -1.94 0.00 0.00 57.00 51.63 2wfm n GLN 250 Cb 1.00 -1.23 0.03 0.00 0.11 0.00 0.00 30.24 30.14 2wfm n GLN 250 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 2wfm h PRO 251 N 2.97 0.26 0.00 -1.09 0.13 -1.64 -0.32 132.00 132.31 2wfm h PRO 251 Ca -0.10 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2wfm h PRO 251 Cb 1.19 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2wfm h PRO 251 CO 0.48 0.17 0.00 0.54 -0.23 0.00 0.00 178.00 178.96 2wfm n ARG 252 N -5.03 0.00 -0.02 0.86 5.12 -1.26 -1.64 116.66 114.69 2wfm n ARG 252 Ca 0.02 0.41 -0.02 0.00 -1.93 0.00 0.00 57.85 56.33 2wfm n ARG 252 Cb 0.15 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 29.92 2wfm n ARG 252 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2wfm n GLU 253 N -1.40 3.11 -0.33 5.56 4.71 -0.76 -3.61 120.64 127.92 2wfm n GLU 253 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.11 2wfm n GLU 253 Cb 0.00 -1.09 0.09 0.00 -1.01 0.00 0.00 31.44 29.43 2wfm n GLU 253 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2wfm h VAL 254 N 0.00 1.26 0.66 2.62 2.07 -0.26 -2.22 116.25 120.38 2wfm h VAL 254 Ca -0.10 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 2wfm h VAL 254 Cb 1.22 0.03 0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2wfm h VAL 254 CO 0.00 0.28 -0.32 0.00 0.02 0.00 0.00 177.57 177.56 2wfm h LYS 256 N -1.06 -0.27 -0.47 0.00 1.79 -1.63 -2.54 116.57 112.39 2wfm h LYS 256 Ca -0.09 0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.44 2wfm h LYS 256 Cb 0.72 0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 31.37 2wfm h LYS 256 CO 0.15 -0.18 -0.28 0.00 -1.08 0.00 0.00 179.45 178.06 2wfm h LEU 258 N 0.00 0.88 -0.13 0.00 5.85 -0.87 -2.09 115.31 118.95 2wfm h LEU 258 Ca 0.08 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.55 2wfm h LEU 258 Cb 0.19 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 2wfm h LEU 258 CO -0.44 0.95 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.42 2wfm h LEU 259 N 0.78 -0.39 -0.99 2.25 3.38 -1.27 -1.47 115.31 117.60 2wfm h LEU 259 Ca 0.15 0.08 0.33 0.00 0.09 0.00 0.00 57.88 58.53 2wfm h LEU 259 Cb 0.48 0.19 -0.18 0.00 0.09 0.00 0.00 40.66 41.24 2wfm h LEU 259 CO 0.02 -0.16 0.25 0.44 0.09 0.00 0.00 178.44 179.07 2wfm h ASP 260 N -0.14 -0.14 -0.27 -0.43 5.19 -1.25 0.57 116.42 119.94 2wfm h ASP 260 Ca 0.09 0.27 -0.13 0.00 -0.62 0.00 0.00 57.03 56.64 2wfm h ASP 260 Cb 0.28 0.39 -0.01 0.00 0.18 0.00 0.00 39.33 40.17 2wfm h ASP 260 CO -0.22 -0.38 -0.30 0.40 -3.12 0.00 0.00 179.24 175.61 2wfm h ILE 261 N 0.01 1.28 -1.23 0.35 2.04 -1.01 -2.82 117.51 116.12 2wfm h ILE 261 Ca 0.70 -1.44 -0.60 0.00 1.00 0.00 0.00 64.86 64.52 2wfm h ILE 261 Cb 1.65 1.32 -0.18 0.00 -0.74 0.00 0.00 36.82 38.87 2wfm h ILE 261 CO -0.86 0.48 0.94 -1.54 0.00 0.00 0.00 178.15 177.18 2wfm n SER 262 N -4.08 6.97 0.00 1.72 3.41 0.19 -5.07 113.62 116.76 2wfm n SER 262 Ca -0.01 -3.28 0.00 0.00 -0.26 0.00 0.00 58.87 55.33 2wfm n SER 262 Cb 0.48 -1.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 2wfm n SER 262 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35