#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 4.24 0.23 -1.09 0.74 -1.26 -5.05 119.66 117.47 2wfm s GLN 10 Ca 0.00 2.30 0.06 0.00 0.05 0.00 0.00 55.36 57.77 2wfm s GLN 10 Cb 0.00 -3.16 -0.03 0.00 1.10 0.00 0.00 33.01 30.92 2wfm s GLN 10 CO 0.00 -0.53 0.26 0.15 -0.55 0.00 0.00 175.29 174.61 2wfm s LYS 11 N 0.74 3.15 -0.32 1.67 -0.14 -1.26 -4.96 119.74 118.61 2wfm s LYS 11 Ca 0.66 -0.90 -0.01 0.00 -1.36 0.00 0.00 55.97 54.37 2wfm s LYS 11 Cb -0.42 -2.72 0.07 0.00 -1.68 0.00 0.00 37.83 33.08 2wfm s LYS 11 CO 0.34 0.43 0.03 -1.58 -0.76 0.00 0.00 175.35 173.81 2wfm s HIS 12 N -2.02 3.39 -0.16 3.18 5.65 -1.26 -0.72 115.29 123.36 2wfm s HIS 12 Ca 0.33 -2.18 -0.18 0.00 0.25 0.00 0.00 55.06 53.28 2wfm s HIS 12 Cb -0.09 -2.42 -0.04 0.00 -1.18 0.00 0.00 32.58 28.86 2wfm s HIS 12 CO 0.27 -0.87 0.49 -0.06 -0.65 0.00 0.00 174.74 173.92 2wfm s PHE 13 N 1.17 3.44 -0.27 3.88 0.08 0.81 -0.78 117.98 126.31 2wfm s PHE 13 Ca -0.01 0.82 -0.04 0.00 0.12 0.00 0.00 56.93 57.82 2wfm s PHE 13 Cb -0.20 -2.61 0.02 0.00 -0.57 0.00 0.00 43.02 39.66 2wfm s PHE 13 CO -0.03 0.03 -0.01 0.08 -0.10 0.00 0.00 175.22 175.19 2wfm s VAL 14 N 1.15 3.29 -0.21 -0.44 1.01 0.24 -0.62 120.40 124.82 2wfm s VAL 14 Ca 0.25 -0.90 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 2wfm s VAL 14 Cb -0.15 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 2wfm s VAL 14 CO 0.10 0.15 0.11 -0.76 0.00 0.00 0.00 175.10 174.69 2wfm s LEU 15 N 1.39 3.91 -0.18 3.92 1.43 -0.11 -1.28 118.68 127.75 2wfm s LEU 15 Ca 0.01 0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.18 2wfm s LEU 15 Cb -0.17 -2.02 0.03 0.00 0.03 0.00 0.00 46.19 44.06 2wfm s LEU 15 CO -0.02 0.11 -0.17 -0.69 0.23 0.00 0.00 176.35 175.81 2wfm s VAL 16 N 0.80 1.90 0.65 -1.59 1.01 0.12 -2.60 120.40 120.69 2wfm s VAL 16 Ca 0.05 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 61.00 2wfm s VAL 16 Cb -0.13 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 2wfm s VAL 16 CO 0.02 0.43 1.04 -1.38 0.00 0.00 0.00 175.10 175.22 2wfm s HIS 17 N 1.34 3.38 0.00 5.22 -3.43 -1.26 -2.61 115.29 117.93 2wfm s HIS 17 Ca 0.03 1.36 0.00 0.00 -0.80 0.00 0.00 55.06 55.65 2wfm s HIS 17 Cb -0.14 -2.80 0.00 0.00 -1.43 0.00 0.00 32.58 28.21 2wfm s HIS 17 CO -0.11 -0.93 0.00 0.41 -2.00 0.00 0.00 174.74 172.11 2wfm n GLY 18 N -2.35 -0.77 3.77 -1.38 0.00 -1.24 -3.64 105.19 99.57 2wfm n GLY 18 Ca 0.07 -1.67 -0.39 0.00 0.00 0.00 0.00 46.02 44.03 2wfm n GLY 18 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wfm s GLY 19 N -1.81 2.93 0.00 -0.02 0.00 -1.26 -2.98 107.32 104.17 2wfm s GLY 19 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 44.72 45.48 2wfm s GLY 19 CO 0.00 1.28 0.00 0.00 0.00 0.00 0.00 173.10 174.38 2wfm n LEU 21 N 0.00 0.00 0.00 0.00 4.77 -1.16 -3.03 117.00 117.58 2wfm n LEU 21 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 2wfm n LEU 21 Cb 0.12 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 2wfm n LEU 21 CO 0.00 -0.01 0.82 0.61 -1.33 0.00 0.00 177.39 177.48 2wfm n GLY 22 N 5.00 0.57 0.39 -0.72 0.00 -1.26 -3.42 105.19 105.74 2wfm n GLY 22 Ca 0.00 -1.12 0.21 0.00 0.00 0.00 0.00 46.02 45.11 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 2.00 2.41 0.00 4.61 0.00 -1.88 -2.24 119.26 124.15 2wfm h ALA 23 Ca -0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2wfm h ALA 23 Cb 1.14 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2wfm h ALA 23 CO 0.34 -0.69 0.00 0.11 0.00 0.00 0.00 179.25 179.01 2wfm h TRP 24 N 0.00 0.00 0.00 0.00 5.08 -1.94 -0.99 115.95 118.09 2wfm h TRP 24 Ca 0.25 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.21 2wfm h TRP 24 Cb 1.09 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.24 2wfm h TRP 24 CO 0.00 0.00 -0.05 -0.84 -1.28 0.00 0.00 178.44 176.27 2wfm h ILE 25 N 0.00 0.19 -0.34 0.12 3.07 -1.83 -2.27 117.51 116.46 2wfm h ILE 25 Ca 0.00 -0.43 0.00 0.00 1.55 0.00 0.00 64.86 65.98 2wfm h ILE 25 Cb 0.00 1.36 0.00 0.00 -0.27 0.00 0.00 36.82 37.91 2wfm h ILE 25 CO 0.00 0.05 0.00 0.79 -1.05 0.00 0.00 178.15 177.94 2wfm n TRP 26 N -3.25 1.15 0.50 0.16 7.02 -0.38 -4.45 117.44 118.19 2wfm n TRP 26 Ca -0.01 -0.40 0.12 0.00 -1.02 0.00 0.00 57.50 56.19 2wfm n TRP 26 Cb 0.24 -0.31 0.46 0.00 -2.42 0.00 0.00 31.31 29.27 2wfm n TRP 26 CO 0.00 0.00 0.00 2.48 -2.02 0.00 0.00 177.69 178.15 2wfm n TYR 27 N 0.38 0.83 -0.12 -5.99 0.18 -0.86 -1.29 117.16 110.31 2wfm n TYR 27 Ca 0.16 0.29 -0.17 0.00 1.88 0.00 0.00 57.90 60.06 2wfm n TYR 27 Cb 0.76 -0.97 -0.13 0.00 -0.38 0.00 0.00 39.34 38.63 2wfm n TYR 27 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 2wfm n LYS 28 N -2.22 0.66 -0.07 -3.48 5.02 -1.26 -4.47 118.16 112.34 2wfm n LYS 28 Ca 0.04 0.13 -0.15 0.00 -2.02 0.00 0.00 58.31 56.31 2wfm n LYS 28 Cb 0.31 -1.53 -0.05 0.00 -0.02 0.00 0.00 35.03 33.74 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 0.00 0.81 -0.31 -0.35 5.85 -1.69 -3.27 115.31 116.36 2wfm h LEU 29 Ca -0.57 -0.54 0.06 0.00 0.84 0.00 0.00 57.88 57.68 2wfm h LEU 29 Cb 1.97 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 42.70 2wfm h LEU 29 CO -0.06 1.20 -0.11 0.50 -0.34 0.00 0.00 178.44 179.63 2wfm h LYS 30 N 0.45 -0.04 0.00 1.25 3.64 -1.43 -0.76 116.57 119.68 2wfm h LYS 30 Ca 0.01 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 2wfm h LYS 30 Cb 1.06 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 2wfm h LYS 30 CO 0.10 -0.03 -0.24 -1.00 -2.27 0.00 0.00 179.45 176.01 2wfm h PRO 31 N -0.04 0.00 -0.70 1.90 0.13 -1.78 -1.40 132.00 130.11 2wfm h PRO 31 Ca 0.15 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.23 2wfm h PRO 31 Cb 0.28 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.38 2wfm h PRO 31 CO -0.34 0.24 0.23 -0.07 -0.23 0.00 0.00 178.00 177.83 2wfm h LEU 32 N 0.00 1.01 -0.39 1.56 3.38 -1.32 -0.21 115.31 119.34 2wfm h LEU 32 Ca -0.00 -0.20 -0.18 0.00 0.09 0.00 0.00 57.88 57.58 2wfm h LEU 32 Cb 0.64 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2wfm h LEU 32 CO 0.03 0.94 -0.80 -0.07 0.09 0.00 0.00 178.44 178.63 2wfm h LEU 33 N 1.02 0.20 -0.08 1.67 3.38 -0.73 -2.67 115.31 118.09 2wfm h LEU 33 Ca 0.23 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 2wfm h LEU 33 Cb 0.29 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.99 2wfm h LEU 33 CO -0.01 0.91 -0.51 -0.33 0.09 0.00 0.00 178.44 178.60 2wfm h GLU 34 N 0.09 0.48 -1.00 1.13 5.08 -1.16 -1.94 114.58 117.26 2wfm h GLU 34 Ca -0.03 -0.41 0.29 0.00 -1.00 0.00 0.00 59.36 58.21 2wfm h GLU 34 Cb 1.40 0.09 -0.14 0.00 0.50 0.00 0.00 28.75 30.60 2wfm h GLU 34 CO 0.12 1.05 0.58 0.77 -1.00 0.00 0.00 179.01 180.52 2wfm h SER 35 N 0.05 0.57 0.43 1.42 0.02 -1.06 0.57 113.55 115.56 2wfm h SER 35 Ca -0.04 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2wfm h SER 35 Cb 1.16 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2wfm h SER 35 CO 0.10 -0.05 0.00 0.00 -1.14 0.00 0.00 176.83 175.75 2wfm n ALA 36 N -2.30 2.34 0.00 3.77 0.00 -1.01 -4.87 120.51 118.44 2wfm n ALA 36 Ca 0.30 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2wfm n ALA 36 Cb 0.90 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 0.91 1.07 3.81 0.00 0.00 0.19 -5.09 105.19 106.08 2wfm n GLY 37 Ca 0.13 0.00 -0.22 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 2.94 -0.03 1.61 3.76 -0.76 -4.74 115.29 116.08 2wfm s HIS 38 Ca 0.00 -0.23 -0.14 0.00 -0.15 0.00 0.00 55.06 54.54 2wfm s HIS 38 Cb 0.00 -1.56 -0.05 0.00 1.11 0.00 0.00 32.58 32.08 2wfm s HIS 38 CO 0.00 0.38 0.38 0.21 -0.85 0.00 0.00 174.74 174.86 2wfm s LYS 39 N -3.89 3.95 -0.06 1.40 2.20 0.10 -4.10 119.74 119.35 2wfm s LYS 39 Ca 0.36 0.34 0.01 0.00 -0.36 0.00 0.00 55.97 56.33 2wfm s LYS 39 Cb -0.06 -3.26 0.02 0.00 -1.51 0.00 0.00 37.83 33.02 2wfm s LYS 39 CO 0.25 0.61 -0.07 0.08 -0.36 0.00 0.00 175.35 175.85 2wfm s VAL 40 N -0.78 0.77 -0.25 4.02 1.01 -1.26 -0.13 120.40 123.79 2wfm s VAL 40 Ca 0.23 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 2wfm s VAL 40 Cb -0.16 -0.76 0.03 0.00 0.00 0.00 0.00 36.38 35.49 2wfm s VAL 40 CO 0.11 0.28 -0.07 -0.89 0.00 0.00 0.00 175.10 174.54 2wfm s THR 41 N 0.90 2.81 -0.34 3.92 2.01 0.21 -4.96 115.64 120.19 2wfm s THR 41 Ca -0.11 -1.06 -0.14 0.00 0.31 0.00 0.00 61.69 60.69 2wfm s THR 41 Cb -0.15 -2.43 -0.02 0.00 0.01 0.00 0.00 72.50 69.91 2wfm s THR 41 CO 0.01 0.19 0.28 0.00 -0.69 0.00 0.00 174.62 174.42 2wfm s ALA 42 N 1.31 3.51 0.00 7.40 0.00 -1.26 -0.94 121.76 131.78 2wfm s ALA 42 Ca -0.00 -1.29 -0.05 0.00 0.00 0.00 0.00 51.96 50.62 2wfm s ALA 42 Cb -0.17 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 2wfm s ALA 42 CO -0.05 -0.98 0.23 0.54 0.00 0.00 0.00 175.76 175.50 2wfm s VAL 43 N 1.84 5.36 -0.22 0.00 0.11 -1.07 -4.83 120.40 121.59 2wfm s VAL 43 Ca 0.08 0.01 -0.15 0.00 -2.93 0.00 0.00 61.98 59.00 2wfm s VAL 43 Cb -0.17 -3.55 -0.04 0.00 -1.53 0.00 0.00 36.38 31.09 2wfm s VAL 43 CO 0.11 0.34 0.37 -1.81 -3.33 0.00 0.00 175.10 170.79 2wfm s ASP 44 N -1.82 6.37 0.87 3.54 1.01 -1.26 -3.71 116.67 121.66 2wfm s ASP 44 Ca 0.28 0.43 -0.12 0.00 0.71 0.00 0.00 52.55 53.84 2wfm s ASP 44 Cb -0.13 -2.22 0.11 0.00 1.01 0.00 0.00 42.92 41.70 2wfm s ASP 44 CO 0.17 -0.09 1.16 -0.76 0.21 0.00 0.00 175.17 175.86 2wfm s LEU 45 N 1.49 2.25 0.30 1.23 1.43 -1.26 -4.70 118.68 119.41 2wfm s LEU 45 Ca 0.17 0.85 -0.30 0.00 -1.03 0.00 0.00 54.13 53.82 2wfm s LEU 45 Cb -0.15 -3.24 -0.11 0.00 0.03 0.00 0.00 46.19 42.72 2wfm s LEU 45 CO 0.08 -2.26 1.59 -0.44 0.23 0.00 0.00 176.35 175.55 2wfm s SER 46 N -4.32 6.37 -1.68 2.29 0.01 -0.56 -1.61 113.70 114.20 2wfm s SER 46 Ca 0.63 2.96 0.00 0.00 1.31 0.00 0.00 55.95 60.85 2wfm s SER 46 Cb -0.13 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.47 2wfm s SER 46 CO 0.51 -0.91 0.00 0.00 0.41 0.00 0.00 173.24 173.25 2wfm n ALA 47 N 2.10 -0.37 -2.44 1.44 0.00 -1.25 -4.91 120.51 115.07 2wfm n ALA 47 Ca 0.08 0.22 -0.25 0.00 0.00 0.00 0.00 53.44 53.48 2wfm n ALA 47 Cb 0.37 -1.84 -0.11 0.00 0.00 0.00 0.00 19.45 17.87 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 -2.74 2.59 0.00 0.00 0.00 -0.63 -4.79 121.76 116.19 2wfm s ALA 48 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 51.96 50.22 2wfm s ALA 48 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.83 2wfm s ALA 48 CO 0.00 0.35 0.00 0.41 0.00 0.00 0.00 175.76 176.52 2wfm n GLY 49 N -0.14 3.26 1.72 0.00 0.00 -1.22 -0.91 105.19 107.90 2wfm n GLY 49 Ca -0.09 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 45.86 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 2.50 -1.99 -0.61 -5.35 -1.26 -4.96 119.36 107.69 2wfm n ILE 50 Ca 0.00 -1.41 -0.41 0.00 -0.27 0.00 0.00 62.75 60.66 2wfm n ILE 50 Cb 0.00 -0.17 -0.02 0.00 -1.74 0.00 0.00 39.64 37.70 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 -0.93 6.63 0.04 7.28 3.84 -0.09 -4.88 114.94 126.83 2wfm s ASN 51 Ca 0.53 2.69 0.24 0.00 0.21 0.00 0.00 52.86 56.52 2wfm s ASN 51 Cb 0.39 -2.62 0.98 0.00 -0.55 0.00 0.00 41.25 39.44 2wfm s ASN 51 CO 0.17 -0.72 1.75 -0.81 -2.79 0.00 0.00 177.10 174.70 2wfm n PRO 52 N 2.35 0.04 -1.88 0.43 -0.04 -1.26 -4.38 135.00 130.26 2wfm n PRO 52 Ca 0.07 0.13 -0.33 0.00 -0.04 0.00 0.00 63.50 63.34 2wfm n PRO 52 Cb 0.40 -1.56 0.03 0.00 -0.04 0.00 0.00 33.50 32.33 2wfm n PRO 52 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2wfm s ARG 53 N -3.03 3.07 -0.03 0.54 1.81 -1.26 -4.97 118.95 115.07 2wfm s ARG 53 Ca 0.11 1.25 -0.02 0.00 -1.72 0.00 0.00 55.73 55.34 2wfm s ARG 53 Cb 0.15 -2.00 -0.04 0.00 -0.45 0.00 0.00 34.95 32.61 2wfm s ARG 53 CO 0.44 -1.02 0.12 1.03 -0.68 0.00 0.00 175.30 175.19 2wfm s ARG 54 N -4.19 3.24 0.40 3.54 0.52 -1.26 -3.84 118.95 117.35 2wfm s ARG 54 Ca 0.64 -0.38 0.11 0.00 -0.52 0.00 0.00 55.73 55.58 2wfm s ARG 54 Cb -0.17 -2.98 0.91 0.00 0.52 0.00 0.00 34.95 33.22 2wfm s ARG 54 CO 0.41 0.68 1.95 1.25 0.02 0.00 0.00 175.30 179.60 2wfm h LEU 55 N 4.20 0.51 0.00 2.53 5.85 -1.90 0.12 115.31 126.62 2wfm h LEU 55 Ca -0.50 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.23 2wfm h LEU 55 Cb 1.19 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.13 2wfm h LEU 55 CO 0.63 0.30 0.00 -0.90 -0.34 0.00 0.00 178.44 178.14 2wfm n ASP 56 N -4.49 0.00 -1.60 1.25 5.68 -1.26 -1.48 116.55 114.65 2wfm n ASP 56 Ca 0.12 -0.02 0.09 0.00 -0.50 0.00 0.00 54.79 54.48 2wfm n ASP 56 Cb 0.36 -0.30 0.36 0.00 -1.14 0.00 0.00 41.12 40.40 2wfm n ASP 56 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2wfm n GLU 57 N -1.30 3.93 -3.93 0.11 0.28 0.41 -4.82 120.64 115.31 2wfm n GLU 57 Ca 0.11 -2.93 -0.30 0.00 -0.16 0.00 0.00 57.16 53.87 2wfm n GLU 57 Cb 0.19 -1.95 -0.15 0.00 1.43 0.00 0.00 31.44 30.96 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 -2.05 1.54 -0.27 3.84 -1.09 -0.55 -4.96 121.20 117.65 2wfm s ILE 58 Ca 0.51 -1.36 0.07 0.00 -2.23 0.00 0.00 60.65 57.64 2wfm s ILE 58 Cb 0.34 -1.88 -0.08 0.00 -1.58 0.00 0.00 42.46 39.27 2wfm s ILE 58 CO 0.22 -0.21 0.26 1.41 -1.23 0.00 0.00 174.94 175.39 2wfm n HIS 59 N 4.64 0.00 -4.40 3.97 8.25 -1.26 -4.95 115.22 121.47 2wfm n HIS 59 Ca -0.09 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.09 2wfm n HIS 59 Cb 0.44 -0.02 -0.12 0.00 1.12 0.00 0.00 29.99 31.40 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 -1.74 2.37 0.39 1.59 -4.23 -1.26 -4.80 115.64 107.96 2wfm s THR 60 Ca 0.02 -1.90 0.11 0.00 -1.18 0.00 0.00 61.69 58.74 2wfm s THR 60 Cb 0.05 -2.11 0.15 0.00 1.34 0.00 0.00 72.50 71.93 2wfm s THR 60 CO 0.27 -0.03 1.91 0.15 -0.54 0.00 0.00 174.62 176.38 2wfm h PHE 61 N 3.46 0.18 -0.36 3.99 3.57 -1.93 -1.16 116.94 124.68 2wfm h PHE 61 Ca -0.48 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 60.96 2wfm h PHE 61 Cb 1.19 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 2wfm h PHE 61 CO 0.65 0.35 0.08 -0.09 -2.23 0.00 0.00 178.31 177.08 2wfm h ARG 62 N 0.16 0.58 -0.56 1.11 2.43 -1.97 -0.20 114.38 115.92 2wfm h ARG 62 Ca 0.03 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 2wfm h ARG 62 Cb 0.42 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 2wfm h ARG 62 CO 0.03 0.62 0.37 -0.44 -1.51 0.00 0.00 179.97 179.04 2wfm h ASP 63 N 0.43 0.65 -0.47 -3.80 3.32 -1.90 -2.39 116.42 112.27 2wfm h ASP 63 Ca 0.11 -0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.19 2wfm h ASP 63 Cb 0.31 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.65 2wfm h ASP 63 CO 0.00 0.48 0.20 0.22 -1.72 0.00 0.00 179.24 178.43 2wfm h TYR 64 N 0.76 0.37 -0.00 4.55 3.20 -0.94 -2.86 116.97 122.04 2wfm h TYR 64 Ca 0.21 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.10 2wfm h TYR 64 Cb -0.07 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.10 2wfm h TYR 64 CO -0.03 0.16 -0.04 0.43 -1.64 0.00 0.00 178.16 177.04 2wfm n SER 65 N -4.95 0.33 -0.33 -2.11 7.64 -0.11 -1.49 113.62 112.60 2wfm n SER 65 Ca 0.04 -0.75 0.11 0.00 1.01 0.00 0.00 58.87 59.28 2wfm n SER 65 Cb 0.16 -0.08 0.28 0.00 -1.01 0.00 0.00 64.21 63.56 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 0.46 0.66 0.00 1.43 4.57 -1.19 -0.19 114.58 120.32 2wfm h GLU 66 Ca 0.00 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 2wfm h GLU 66 Cb 0.23 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.67 2wfm h GLU 66 CO 0.00 0.44 -0.04 -1.35 -1.18 0.00 0.00 179.01 176.88 2wfm h PRO 67 N 0.68 0.00 0.15 0.92 0.11 -1.83 -1.47 132.00 130.56 2wfm h PRO 67 Ca 0.53 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 66.34 2wfm h PRO 67 Cb 0.81 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.95 2wfm h PRO 67 CO -0.39 0.04 -1.28 1.25 -0.21 0.00 0.00 178.00 177.41 2wfm h LEU 68 N 0.00 0.75 -1.12 2.35 5.85 -1.35 -2.89 115.31 118.90 2wfm h LEU 68 Ca -0.00 -0.73 0.02 0.00 0.84 0.00 0.00 57.88 58.01 2wfm h LEU 68 Cb 0.09 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 2wfm h LEU 68 CO 0.00 1.55 0.60 0.24 -0.34 0.00 0.00 178.44 180.49 2wfm h MET 69 N 0.20 1.14 -0.74 1.25 2.86 -1.09 -0.52 114.93 118.03 2wfm h MET 69 Ca -0.19 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.33 2wfm h MET 69 Cb 1.96 -0.26 -0.03 0.00 0.06 0.00 0.00 31.60 33.33 2wfm h MET 69 CO 0.24 0.75 0.23 0.93 1.06 0.00 0.00 176.91 180.12 2wfm h GLU 70 N 1.17 1.14 -0.21 1.72 5.08 -1.31 0.93 114.58 123.09 2wfm h GLU 70 Ca 0.35 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2wfm h GLU 70 Cb -0.05 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 2wfm h GLU 70 CO -0.09 0.96 0.14 0.28 -1.00 0.00 0.00 179.01 179.30 2wfm h VAL 71 N 1.09 1.06 -0.72 3.13 2.07 -1.20 -3.00 116.25 118.68 2wfm h VAL 71 Ca 0.24 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.68 2wfm h VAL 71 Cb 0.30 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 2wfm h VAL 71 CO -0.01 0.06 0.45 0.24 0.02 0.00 0.00 177.57 178.33 2wfm h MET 72 N 0.29 0.85 0.00 1.57 2.86 -0.52 -2.33 114.93 117.65 2wfm h MET 72 Ca 0.08 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2wfm h MET 72 Cb -0.03 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.44 2wfm h MET 72 CO -0.02 0.56 0.00 0.00 1.06 0.00 0.00 176.91 178.52 2wfm h ALA 73 N 1.31 1.00 -0.45 6.32 0.00 -0.76 -2.68 119.26 124.00 2wfm h ALA 73 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2wfm h ALA 73 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2wfm h ALA 73 CO -0.12 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.00 2wfm n SER 74 N -2.94 3.48 -4.71 0.00 3.41 -0.88 -4.91 113.62 107.06 2wfm n SER 74 Ca 0.00 -1.97 -0.42 0.00 -0.26 0.00 0.00 58.87 56.22 2wfm n SER 74 Cb 0.25 -0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 63.88 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 -1.32 3.35 0.59 -1.33 1.01 -1.01 -5.00 121.20 117.50 2wfm s ILE 75 Ca 0.39 0.96 -0.18 0.00 0.00 0.00 0.00 60.65 61.81 2wfm s ILE 75 Cb 0.22 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 2wfm s ILE 75 CO 0.30 0.07 1.18 -2.84 0.00 0.00 0.00 174.94 173.65 2wfm s PRO 76 N 1.23 3.00 0.37 2.79 0.02 -1.26 -4.91 135.00 136.24 2wfm s PRO 76 Ca 0.64 1.73 0.20 0.00 0.02 0.00 0.00 61.00 63.60 2wfm s PRO 76 Cb -0.36 -1.94 1.30 0.00 0.02 0.00 0.00 34.50 33.51 2wfm s PRO 76 CO 0.30 -1.16 1.60 -1.35 -0.33 0.00 0.00 177.00 176.06 2wfm h PRO 77 N 0.82 0.08 -0.57 5.54 0.11 -1.99 -0.95 132.00 135.03 2wfm h PRO 77 Ca -0.50 -0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.26 2wfm h PRO 77 Cb 1.28 -0.02 -0.21 0.00 0.11 0.00 0.00 31.00 32.17 2wfm h PRO 77 CO 0.55 0.05 -0.03 -0.25 -0.21 0.00 0.00 178.00 178.11 2wfm n ASP 78 N -5.17 3.73 -4.31 -2.05 8.00 -1.26 -4.99 116.55 110.50 2wfm n ASP 78 Ca 0.37 -3.78 -0.17 0.00 0.71 0.00 0.00 54.79 51.92 2wfm n ASP 78 Cb 1.23 -0.65 -0.10 0.00 -0.02 0.00 0.00 41.12 41.58 2wfm n ASP 78 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2wfm s GLU 79 N -3.41 1.25 0.28 -1.24 2.02 -0.36 -5.17 118.70 112.07 2wfm s GLU 79 Ca 0.50 -1.59 0.02 0.00 0.02 0.00 0.00 54.97 53.92 2wfm s GLU 79 Cb 0.43 -0.74 -0.04 0.00 0.10 0.00 0.00 34.13 33.87 2wfm s GLU 79 CO 0.01 0.02 0.13 0.15 0.02 0.00 0.00 175.26 175.60 2wfm s LYS 80 N -3.77 1.51 0.12 1.61 1.02 -1.26 -4.78 119.74 114.18 2wfm s LYS 80 Ca 0.23 -1.84 0.05 0.00 0.02 0.00 0.00 55.97 54.43 2wfm s LYS 80 Cb 0.03 -0.14 -0.04 0.00 -0.52 0.00 0.00 37.83 37.17 2wfm s LYS 80 CO 0.06 -0.39 -0.11 0.14 -0.92 0.00 0.00 175.35 174.12 2wfm s VAL 81 N -3.69 1.15 -0.22 3.17 -7.23 -0.26 -4.45 120.40 108.86 2wfm s VAL 81 Ca 0.36 -1.81 -0.10 0.00 -1.81 0.00 0.00 61.98 58.63 2wfm s VAL 81 Cb 0.06 -1.58 -0.05 0.00 0.56 0.00 0.00 36.38 35.38 2wfm s VAL 81 CO 0.16 -0.57 0.14 -0.69 -0.31 0.00 0.00 175.10 173.82 2wfm s VAL 82 N -2.64 5.29 -0.08 1.32 1.01 0.04 -1.54 120.40 123.81 2wfm s VAL 82 Ca 0.10 0.15 -0.15 0.00 0.00 0.00 0.00 61.98 62.08 2wfm s VAL 82 Cb -0.02 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 2wfm s VAL 82 CO 0.01 0.39 0.40 -0.76 0.00 0.00 0.00 175.10 175.14 2wfm s LEU 83 N 0.74 4.36 -0.13 3.92 1.43 -0.89 -0.59 118.68 127.51 2wfm s LEU 83 Ca 0.07 0.80 0.01 0.00 -1.03 0.00 0.00 54.13 53.98 2wfm s LEU 83 Cb -0.13 -2.56 0.02 0.00 0.03 0.00 0.00 46.19 43.56 2wfm s LEU 83 CO 0.02 0.18 -0.14 -0.22 0.23 0.00 0.00 176.35 176.42 2wfm s LEU 84 N -0.21 1.63 0.01 1.79 2.96 -0.40 0.36 118.68 124.82 2wfm s LEU 84 Ca 0.22 -0.45 0.05 0.00 -0.22 0.00 0.00 54.13 53.74 2wfm s LEU 84 Cb -0.15 -1.11 -0.02 0.00 0.50 0.00 0.00 46.19 45.41 2wfm s LEU 84 CO 0.10 -0.05 -0.15 -0.83 -1.32 0.00 0.00 176.35 174.10 2wfm s GLY 85 N 1.39 0.77 0.22 7.98 0.00 -0.60 0.13 107.32 117.22 2wfm s GLY 85 Ca 0.02 -0.73 0.08 0.00 0.00 0.00 0.00 44.72 44.09 2wfm s GLY 85 CO -0.08 -0.65 0.04 -2.38 0.00 0.00 0.00 173.10 170.03 2wfm s HIS 86 N -0.54 2.86 0.00 1.90 -3.43 -1.07 -1.00 115.29 114.00 2wfm s HIS 86 Ca 0.04 -0.16 0.00 0.00 -0.80 0.00 0.00 55.06 54.15 2wfm s HIS 86 Cb -0.07 -1.32 0.00 0.00 -1.43 0.00 0.00 32.58 29.76 2wfm s HIS 86 CO 0.00 0.56 0.00 0.45 -2.00 0.00 0.00 174.74 173.75 2wfm n SER 87 N -0.62 0.00 0.20 7.38 2.88 -0.83 -0.09 113.62 122.54 2wfm n SER 87 Ca -0.08 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.60 2wfm n SER 87 Cb 0.57 0.00 0.63 0.00 -0.75 0.00 0.00 64.21 64.66 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 0.00 0.00 0.66 3.57 -1.88 -2.26 116.94 117.03 2wfm h PHE 88 Ca 0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 2wfm h PHE 88 Cb 0.00 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 2wfm h PHE 88 CO 0.00 0.00 -0.02 0.78 -2.23 0.00 0.00 178.31 176.84 2wfm h GLY 89 N 1.56 0.00 0.49 2.40 0.00 -0.57 -1.52 103.07 105.43 2wfm h GLY 89 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.50 2wfm h GLY 89 CO 0.00 0.00 0.56 -1.33 0.00 0.00 0.00 176.54 175.77 2wfm h GLY 90 N 0.23 0.93 1.09 4.60 0.00 -1.55 -1.98 103.07 106.38 2wfm h GLY 90 Ca -0.00 -0.22 -0.12 0.00 0.00 0.00 0.00 47.33 46.99 2wfm h GLY 90 CO 0.00 0.04 -0.17 -0.33 0.00 0.00 0.00 176.54 176.08 2wfm h MET 91 N 0.50 0.98 -0.67 4.80 2.07 -1.39 -0.88 114.93 120.33 2wfm h MET 91 Ca 0.43 -0.40 -0.01 0.00 -2.07 0.00 0.00 59.70 57.65 2wfm h MET 91 Cb 0.92 -0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 30.58 2wfm h MET 91 CO -0.17 1.07 0.37 0.77 1.07 0.00 0.00 176.91 180.02 2wfm h SER 92 N 0.83 0.83 -0.53 1.22 0.02 -1.60 -1.87 113.55 112.44 2wfm h SER 92 Ca 0.12 -0.09 0.10 0.00 -0.84 0.00 0.00 61.79 61.08 2wfm h SER 92 Cb 0.75 -0.21 -0.09 0.00 0.14 0.00 0.00 62.40 62.99 2wfm h SER 92 CO 0.06 0.68 0.02 -0.07 -1.14 0.00 0.00 176.83 176.38 2wfm h LEU 93 N 0.91 -0.20 -0.59 5.07 4.07 -1.27 -1.27 115.31 122.04 2wfm h LEU 93 Ca 0.23 0.12 0.08 0.00 0.08 0.00 0.00 57.88 58.40 2wfm h LEU 93 Cb 0.03 0.22 -0.06 0.00 1.08 0.00 0.00 40.66 41.93 2wfm h LEU 93 CO -0.04 -0.07 0.25 1.23 -1.08 0.00 0.00 178.44 178.73 2wfm h GLY 94 N 0.13 0.83 1.06 0.83 0.00 -0.70 0.97 103.07 106.20 2wfm h GLY 94 Ca 0.27 -0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.38 2wfm h GLY 94 CO -0.44 0.03 0.10 -2.00 0.00 0.00 0.00 176.54 174.23 2wfm h LEU 95 N 0.46 1.03 -1.07 3.11 5.85 -0.92 -0.55 115.31 123.21 2wfm h LEU 95 Ca 0.29 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 2wfm h LEU 95 Cb 0.30 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2wfm h LEU 95 CO -0.26 1.03 0.13 0.00 -0.34 0.00 0.00 178.44 179.00 2wfm h ALA 96 N 1.03 1.25 -0.42 1.25 0.00 -0.89 -2.00 119.26 119.48 2wfm h ALA 96 Ca 0.19 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2wfm h ALA 96 Cb 0.45 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2wfm h ALA 96 CO 0.01 0.52 -0.25 0.52 0.00 0.00 0.00 179.25 180.06 2wfm h MET 97 N 0.76 0.87 -0.08 0.00 2.86 -0.54 -0.82 114.93 117.99 2wfm h MET 97 Ca 0.17 -0.38 -0.15 0.00 -2.06 0.00 0.00 59.70 57.28 2wfm h MET 97 Cb 0.28 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 2wfm h MET 97 CO -0.00 1.02 -0.63 1.49 1.06 0.00 0.00 176.91 179.85 2wfm h GLU 98 N 0.75 0.28 0.12 1.72 4.57 -0.92 -3.07 114.58 118.02 2wfm h GLU 98 Ca 0.09 -0.20 -0.35 0.00 -1.18 0.00 0.00 59.36 57.72 2wfm h GLU 98 Cb 0.80 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.41 2wfm h GLU 98 CO 0.07 0.82 -1.91 1.15 -1.18 0.00 0.00 179.01 177.96 2wfm h THR 99 N 0.20 0.67 -1.96 0.32 2.02 -1.28 -3.41 112.91 109.47 2wfm h THR 99 Ca -0.01 -2.34 -0.55 0.00 0.77 0.00 0.00 66.41 64.29 2wfm h THR 99 Cb 1.15 2.50 -0.41 0.00 -1.74 0.00 0.00 68.15 69.65 2wfm h THR 99 CO 0.10 0.84 -0.82 -1.22 0.37 0.00 0.00 175.52 174.79 2wfm n TYR 100 N -3.59 2.89 -0.19 3.16 4.01 -0.32 -4.94 117.16 118.18 2wfm n TYR 100 Ca -0.31 -3.68 0.06 0.00 -0.16 0.00 0.00 57.90 53.80 2wfm n TYR 100 Cb 1.01 -0.38 0.34 0.00 -0.31 0.00 0.00 39.34 40.00 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 2.90 0.76 0.00 -0.72 0.13 -1.69 -2.22 132.00 131.17 2wfm h PRO 101 Ca 0.14 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2wfm h PRO 101 Cb 0.74 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.70 2wfm h PRO 101 CO 0.73 0.50 0.00 -0.85 -0.23 0.00 0.00 178.00 178.16 2wfm n GLU 102 N -4.48 0.10 -0.03 0.86 -0.00 -1.26 -3.06 120.64 112.77 2wfm n GLU 102 Ca 0.11 0.23 0.13 0.00 -0.00 0.00 0.00 57.16 57.63 2wfm n GLU 102 Cb 0.22 -1.66 0.43 0.00 -0.00 0.00 0.00 31.44 30.43 2wfm n GLU 102 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2wfm n LYS 103 N -1.84 1.78 -4.46 3.44 4.76 -0.83 -4.88 118.16 116.12 2wfm n LYS 103 Ca 0.04 -1.14 -0.33 0.00 -2.87 0.00 0.00 58.31 54.01 2wfm n LYS 103 Cb 0.27 -1.45 -0.16 0.00 -1.84 0.00 0.00 35.03 31.85 2wfm n LYS 103 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2wfm s ILE 104 N -1.91 2.09 0.00 -0.18 1.01 -1.17 -1.11 121.20 119.94 2wfm s ILE 104 Ca 0.35 -0.95 -0.19 0.00 0.00 0.00 0.00 60.65 59.86 2wfm s ILE 104 Cb 0.20 -1.85 -0.26 0.00 0.01 0.00 0.00 42.46 40.56 2wfm s ILE 104 CO 0.31 0.54 1.06 0.77 0.00 0.00 0.00 174.94 177.62 2wfm h SER 105 N 7.56 0.59 -3.92 3.58 4.64 -1.60 -3.46 113.55 120.94 2wfm h SER 105 Ca -0.38 -0.81 -0.08 0.00 -0.47 0.00 0.00 61.79 60.05 2wfm h SER 105 Cb 1.17 -0.18 -0.23 0.00 -0.31 0.00 0.00 62.40 62.85 2wfm h SER 105 CO 0.59 1.33 -0.07 0.54 -0.87 0.00 0.00 176.83 178.35 2wfm s VAL 106 N -3.02 -0.00 -0.30 0.95 0.11 -1.26 -4.42 120.40 112.47 2wfm s VAL 106 Ca -0.13 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.81 2wfm s VAL 106 Cb 0.03 -0.78 -0.03 0.00 -1.53 0.00 0.00 36.38 34.08 2wfm s VAL 106 CO 0.85 0.00 0.19 0.00 -3.33 0.00 0.00 175.10 172.81 2wfm s ALA 107 N 0.32 3.45 -0.22 1.54 0.00 0.14 -2.10 121.76 124.89 2wfm s ALA 107 Ca -0.00 -1.23 -0.11 0.00 0.00 0.00 0.00 51.96 50.61 2wfm s ALA 107 Cb -0.04 -2.49 -0.05 0.00 0.00 0.00 0.00 23.12 20.54 2wfm s ALA 107 CO 0.00 -0.73 0.20 0.08 0.00 0.00 0.00 175.76 175.31 2wfm s VAL 108 N 1.71 5.34 -0.31 0.00 1.01 0.16 -0.67 120.40 127.64 2wfm s VAL 108 Ca 0.06 0.29 -0.07 0.00 0.00 0.00 0.00 61.98 62.26 2wfm s VAL 108 Cb -0.17 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.69 2wfm s VAL 108 CO 0.09 0.35 0.10 -0.36 0.00 0.00 0.00 175.10 175.29 2wfm s PHE 109 N 0.92 3.18 -0.21 5.22 0.08 -0.08 -1.55 117.98 125.53 2wfm s PHE 109 Ca 0.10 -1.06 -0.08 0.00 0.12 0.00 0.00 56.93 56.01 2wfm s PHE 109 Cb -0.13 -2.28 -0.04 0.00 -0.57 0.00 0.00 43.02 40.00 2wfm s PHE 109 CO 0.04 -0.61 0.08 1.41 -0.10 0.00 0.00 175.22 176.04 2wfm s MET 110 N 1.49 3.89 -0.47 0.44 -2.45 -0.17 -0.94 119.30 121.08 2wfm s MET 110 Ca 0.02 -0.37 -0.10 0.00 -1.25 0.00 0.00 55.69 53.99 2wfm s MET 110 Cb -0.18 -3.31 0.01 0.00 1.25 0.00 0.00 34.83 32.60 2wfm s MET 110 CO 0.03 0.09 0.18 0.45 1.05 0.00 0.00 175.02 176.82 2wfm n SER 111 N 4.12 -1.01 -4.40 1.11 2.88 -0.71 -2.84 113.62 112.77 2wfm n SER 111 Ca -0.16 -0.48 -0.20 0.00 -1.33 0.00 0.00 58.87 56.71 2wfm n SER 111 Cb 0.52 -0.57 -0.10 0.00 -0.75 0.00 0.00 64.21 63.30 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 -4.22 2.13 -0.10 -1.46 0.00 -1.26 -1.96 121.76 114.88 2wfm s ALA 112 Ca 0.13 -1.91 -0.30 0.00 0.00 0.00 0.00 51.96 49.89 2wfm s ALA 112 Cb -0.08 0.49 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 2wfm s ALA 112 CO 0.36 -0.23 1.38 -1.64 0.00 0.00 0.00 175.76 175.63 2wfm s MET 113 N -3.85 4.24 -0.32 0.00 -1.94 -0.89 -4.85 119.30 111.70 2wfm s MET 113 Ca 0.32 1.85 -0.03 0.00 -1.71 0.00 0.00 55.69 56.12 2wfm s MET 113 Cb 0.06 -3.78 0.05 0.00 2.01 0.00 0.00 34.83 33.17 2wfm s MET 113 CO 0.12 -0.70 0.04 1.41 -0.01 0.00 0.00 175.02 175.87 2wfm s MET 114 N 3.38 2.48 0.85 2.03 1.75 -1.26 -3.93 119.30 124.59 2wfm s MET 114 Ca 0.61 -1.26 -0.11 0.00 -1.25 0.00 0.00 55.69 53.69 2wfm s MET 114 Cb -0.26 -3.28 0.11 0.00 2.84 0.00 0.00 34.83 34.23 2wfm s MET 114 CO 0.21 -0.65 1.13 -2.14 -0.65 0.00 0.00 175.02 172.93 2wfm s PRO 115 N 1.29 1.54 -0.14 4.11 0.02 -1.26 -4.92 135.00 135.65 2wfm s PRO 115 Ca -0.04 1.44 0.01 0.00 0.02 0.00 0.00 61.00 62.43 2wfm s PRO 115 Cb -0.20 -1.80 0.02 0.00 0.02 0.00 0.00 34.50 32.55 2wfm s PRO 115 CO 0.00 -2.22 -0.15 0.34 -0.33 0.00 0.00 177.00 174.64 2wfm s ASP 116 N -2.85 2.66 0.00 2.53 -1.08 -1.26 -5.03 116.67 111.63 2wfm s ASP 116 Ca 0.66 -0.48 0.07 0.00 -0.52 0.00 0.00 52.55 52.27 2wfm s ASP 116 Cb -0.21 -1.18 0.31 0.00 -1.46 0.00 0.00 42.92 40.37 2wfm s ASP 116 CO 0.56 -0.02 1.15 -0.81 0.52 0.00 0.00 175.17 176.57 2wfm n PRO 117 N 4.55 0.04 0.00 4.34 -0.04 -1.26 -1.96 135.00 140.67 2wfm n PRO 117 Ca -0.18 0.32 0.12 0.00 -0.04 0.00 0.00 63.50 63.72 2wfm n PRO 117 Cb 0.50 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.73 2wfm n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2wfm n ASN 118 N -1.41 1.38 -4.32 3.54 3.02 -1.26 -4.58 115.26 111.63 2wfm n ASN 118 Ca 0.02 -1.13 -0.17 0.00 -0.03 0.00 0.00 54.58 53.28 2wfm n ASN 118 Cb 0.07 0.23 -0.10 0.00 -0.61 0.00 0.00 39.78 39.36 2wfm n ASN 118 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2wfm s HIS 119 N -2.46 1.54 1.07 3.10 3.76 -0.83 -5.14 115.29 116.33 2wfm s HIS 119 Ca 0.23 -0.82 -0.12 0.00 -0.15 0.00 0.00 55.06 54.20 2wfm s HIS 119 Cb 0.19 -0.85 0.23 0.00 1.11 0.00 0.00 32.58 33.26 2wfm s HIS 119 CO 0.52 0.07 1.06 -1.54 -0.85 0.00 0.00 174.74 174.00 2wfm s SER 120 N -3.29 1.84 0.00 1.40 1.04 -1.26 -4.67 113.70 108.77 2wfm s SER 120 Ca 0.25 1.52 0.23 0.00 0.48 0.00 0.00 55.95 58.42 2wfm s SER 120 Cb 0.04 -2.22 1.03 0.00 0.10 0.00 0.00 66.02 64.97 2wfm s SER 120 CO 0.07 -3.67 1.73 0.18 0.98 0.00 0.00 173.24 172.53 2wfm n LEU 121 N -4.56 0.00 -0.39 2.42 4.77 -1.26 -2.53 117.00 115.45 2wfm n LEU 121 Ca 0.05 0.42 0.13 0.00 -0.03 0.00 0.00 56.01 56.58 2wfm n LEU 121 Cb 0.55 -0.42 0.37 0.00 -2.33 0.00 0.00 43.42 41.59 2wfm n LEU 121 CO 0.56 -0.10 0.69 0.35 -1.33 0.00 0.00 177.39 177.56 2wfm n THR 122 N -1.42 0.00 -0.04 -5.08 -2.24 -1.26 -4.25 114.28 99.98 2wfm n THR 122 Ca 0.07 -0.20 -0.04 0.00 -2.27 0.00 0.00 64.05 61.61 2wfm n THR 122 Cb 0.23 0.58 0.18 0.00 -2.10 0.00 0.00 70.33 69.22 2wfm n THR 122 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 2wfm h TYR 123 N 1.89 0.69 0.00 4.78 3.20 -1.86 -2.44 116.97 123.23 2wfm h TYR 123 Ca 0.00 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.75 2wfm h TYR 123 Cb 0.56 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.65 2wfm h TYR 123 CO 0.00 0.74 0.00 -2.30 -1.64 0.00 0.00 178.16 174.96 2wfm n PRO 124 N -4.17 0.17 0.03 1.82 -0.02 -1.26 -2.29 135.00 129.27 2wfm n PRO 124 Ca 0.01 0.17 0.08 0.00 -2.02 0.00 0.00 63.50 61.74 2wfm n PRO 124 Cb 0.36 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.24 2wfm n PRO 124 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2wfm n PHE 125 N -1.25 0.48 0.03 6.00 3.72 -0.92 -4.71 117.46 120.81 2wfm n PHE 125 Ca 0.05 0.14 -0.12 0.00 -0.05 0.00 0.00 57.45 57.48 2wfm n PHE 125 Cb 0.08 -0.78 -0.07 0.00 -0.94 0.00 0.00 39.48 37.77 2wfm n PHE 125 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2wfm h GLU 126 N 0.00 0.01 0.00 -1.08 4.81 -1.52 -1.61 114.58 115.19 2wfm h GLU 126 Ca -0.07 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.11 2wfm h GLU 126 Cb 1.18 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 2wfm h GLU 126 CO 0.01 0.03 -0.26 -0.22 -0.73 0.00 0.00 179.01 177.84 2wfm h LYS 127 N -0.01 0.00 -0.01 1.92 1.63 -1.84 -1.56 116.57 116.70 2wfm h LYS 127 Ca 0.00 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.76 2wfm h LYS 127 Cb 0.02 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 2wfm h LYS 127 CO -0.00 0.26 -0.17 -0.92 -3.45 0.00 0.00 179.45 175.17 2wfm h TYR 128 N 0.00 0.20 0.00 1.91 3.20 -1.75 -3.01 116.97 117.52 2wfm h TYR 128 Ca -0.00 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.75 2wfm h TYR 128 Cb 0.51 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.75 2wfm h TYR 128 CO 0.00 0.86 -0.07 -0.91 -1.64 0.00 0.00 178.16 176.40 2wfm h ASN 129 N -0.51 0.00 1.57 -2.11 -0.26 -1.14 -1.12 115.58 112.02 2wfm h ASN 129 Ca -0.02 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.65 2wfm h ASN 129 Cb 0.89 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.14 2wfm h ASN 129 CO 0.03 0.07 -0.44 -0.33 -1.06 0.00 0.00 177.43 175.71 2wfm h GLU 130 N 0.00 0.00 0.00 0.81 5.08 -1.27 -3.40 114.58 115.80 2wfm h GLU 130 Ca -0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 2wfm h GLU 130 Cb 0.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2wfm h GLU 130 CO 0.01 0.29 -1.40 1.17 -1.00 0.00 0.00 179.01 178.08 2wfm n LYS 131 N -3.12 1.76 -2.93 2.33 3.00 -1.07 -4.99 118.16 113.14 2wfm n LYS 131 Ca 0.02 0.02 -0.40 0.00 -0.00 0.00 0.00 58.31 57.95 2wfm n LYS 131 Cb 0.66 -1.15 -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 s PRO 133 N -0.55 2.03 0.57 0.00 0.04 -1.26 -4.84 135.00 130.99 2wfm s PRO 133 Ca 0.39 0.16 0.28 0.00 0.04 0.00 0.00 61.00 61.86 2wfm s PRO 133 Cb -0.22 -1.95 1.52 0.00 0.04 0.00 0.00 34.50 33.88 2wfm s PRO 133 CO 0.26 -1.56 1.99 0.00 0.04 0.00 0.00 177.00 177.73 2wfm h ALA 134 N -1.03 2.14 -0.07 8.56 0.00 -1.97 -1.91 119.26 124.98 2wfm h ALA 134 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2wfm h ALA 134 Cb 1.32 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2wfm h ALA 134 CO 0.66 -0.56 0.00 -0.40 0.00 0.00 0.00 179.25 178.95 2wfm n ASP 135 N -3.92 2.04 -0.29 0.00 5.68 -1.26 -4.31 116.55 114.49 2wfm n ASP 135 Ca 0.06 -1.69 0.13 0.00 -0.50 0.00 0.00 54.79 52.79 2wfm n ASP 135 Cb 0.54 -0.03 0.26 0.00 -1.14 0.00 0.00 41.12 40.74 2wfm n ASP 135 CO 0.00 0.00 0.00 0.80 -1.33 0.00 0.00 177.20 176.67 2wfm n MET 136 N 0.59 -0.07 -0.61 0.11 1.56 -0.72 -0.98 117.12 116.99 2wfm n MET 136 Ca 0.17 1.27 0.09 0.00 -0.27 0.00 0.00 57.70 58.97 2wfm n MET 136 Cb 0.43 -2.03 0.35 0.00 2.15 0.00 0.00 33.22 34.12 2wfm n MET 136 CO 0.00 0.00 0.00 -1.33 -0.73 0.00 0.00 175.97 173.91 2wfm n MET 137 N -5.22 3.71 0.00 2.12 2.81 -1.26 -5.00 117.12 114.27 2wfm n MET 137 Ca 0.21 -2.81 0.00 0.00 -1.81 0.00 0.00 57.70 53.28 2wfm n MET 137 Cb 0.67 -1.90 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 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 1.11 0.00 -0.36 4.03 4.32 -0.15 -1.60 117.00 124.35 2wfm n LEU 138 Ca 0.25 0.00 0.02 0.00 -0.02 0.00 0.00 56.01 56.26 2wfm n LEU 138 Cb 0.88 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 42.75 2wfm n LEU 138 CO 0.24 0.00 0.51 -0.90 -1.22 0.00 0.00 177.39 176.02 2wfm n ASP 139 N 7.78 0.98 -4.81 -1.43 5.75 -1.26 -4.89 116.55 118.66 2wfm n ASP 139 Ca 0.00 -2.04 -0.31 0.00 -0.01 0.00 0.00 54.79 52.44 2wfm n ASP 139 Cb 0.00 -0.18 0.06 0.00 -1.03 0.00 0.00 41.12 39.97 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 -0.83 5.17 -0.03 -1.12 0.01 -0.63 -4.22 113.70 112.05 2wfm s SER 140 Ca 0.10 1.61 -0.01 0.00 1.31 0.00 0.00 55.95 58.95 2wfm s SER 140 Cb 0.05 -2.45 0.03 0.00 0.21 0.00 0.00 66.02 63.87 2wfm s SER 140 CO 0.06 -1.58 0.06 -1.10 0.41 0.00 0.00 173.24 171.09 2wfm s GLN 141 N -5.04 -0.02 -0.03 12.44 -0.21 -0.99 -4.86 119.66 120.95 2wfm s GLN 141 Ca 0.59 0.26 -0.06 0.00 0.02 0.00 0.00 55.36 56.17 2wfm s GLN 141 Cb -0.14 -0.27 -0.04 0.00 1.00 0.00 0.00 33.01 33.55 2wfm s GLN 141 CO 0.55 -0.19 0.22 -0.06 -2.12 0.00 0.00 175.29 173.69 2wfm s PHE 142 N 1.27 3.59 -0.02 0.91 0.08 -1.26 -2.04 117.98 120.51 2wfm s PHE 142 Ca -0.07 0.54 -0.02 0.00 0.12 0.00 0.00 56.93 57.50 2wfm s PHE 142 Cb -0.13 -1.96 0.01 0.00 -0.57 0.00 0.00 43.02 40.38 2wfm s PHE 142 CO -0.04 0.66 0.05 -1.12 -0.10 0.00 0.00 175.22 174.67 2wfm s SER 143 N -1.52 -0.04 0.37 1.36 0.01 -0.36 -4.98 113.70 108.53 2wfm s SER 143 Ca 0.24 0.09 -0.24 0.00 1.31 0.00 0.00 55.95 57.35 2wfm s SER 143 Cb -0.13 0.09 -0.10 0.00 0.21 0.00 0.00 66.02 66.08 2wfm s SER 143 CO 0.13 -0.02 0.95 0.42 0.41 0.00 0.00 173.24 175.13 2wfm s THR 144 N 0.09 4.25 0.25 1.44 -4.23 -1.26 0.88 115.64 117.06 2wfm s THR 144 Ca -0.01 1.67 0.05 0.00 -1.18 0.00 0.00 61.69 62.23 2wfm s THR 144 Cb -0.01 -3.84 -0.02 0.00 1.34 0.00 0.00 72.50 69.97 2wfm s THR 144 CO -0.00 -0.04 0.18 0.00 -0.54 0.00 0.00 174.62 174.22 2wfm n TYR 145 N 0.07 -0.44 -4.43 3.99 0.18 -0.30 -4.87 117.16 111.36 2wfm n TYR 145 Ca 0.04 -1.97 0.00 0.00 1.88 0.00 0.00 57.90 57.85 2wfm n TYR 145 Cb 0.52 0.17 0.00 0.00 -0.38 0.00 0.00 39.34 39.64 2wfm n TYR 145 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2wfm n GLY 146 N -0.36 1.28 3.59 -7.48 0.00 -1.26 -1.76 105.19 99.20 2wfm n GLY 146 Ca 0.04 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 2wfm n GLY 146 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wfm s ASN 147 N -4.00 6.33 0.31 1.61 3.04 -1.26 -4.91 114.94 116.06 2wfm s ASN 147 Ca 0.00 0.51 0.16 0.00 0.04 0.00 0.00 52.86 53.57 2wfm s ASN 147 Cb 0.00 -2.54 1.09 0.00 -1.54 0.00 0.00 41.25 38.26 2wfm s ASN 147 CO 0.00 -1.50 1.36 -2.65 -3.04 0.00 0.00 177.10 171.27 2wfm n PRO 148 N 8.27 -0.05 0.12 0.43 -0.02 -1.26 0.25 135.00 142.73 2wfm n PRO 148 Ca 0.14 1.21 0.12 0.00 -2.02 0.00 0.00 63.50 62.94 2wfm n PRO 148 Cb 0.49 -2.13 0.11 0.00 -0.02 0.00 0.00 33.50 31.95 2wfm n PRO 148 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2wfm h GLU 149 N 0.00 0.00 -2.20 -0.52 9.09 -1.97 -3.39 114.58 115.59 2wfm h GLU 149 Ca 0.70 0.00 -0.58 0.00 0.05 0.00 0.00 59.36 59.54 2wfm h GLU 149 Cb 1.82 0.00 -0.42 0.00 -1.65 0.00 0.00 28.75 28.50 2wfm h GLU 149 CO -0.69 0.00 -0.73 -1.71 0.05 0.00 0.00 179.01 175.94 2wfm n ASN 150 N -2.62 3.48 -4.90 3.06 5.15 0.14 -5.11 115.26 114.46 2wfm n ASN 150 Ca 0.02 -3.45 -0.30 0.00 -0.60 0.00 0.00 54.58 50.25 2wfm n ASN 150 Cb 0.51 -0.61 -0.04 0.00 -0.53 0.00 0.00 39.78 39.11 2wfm n ASN 150 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2wfm s PRO 151 N -2.84 3.60 0.60 1.20 0.04 -1.07 -4.29 135.00 132.23 2wfm s PRO 151 Ca 0.44 -0.13 -0.02 0.00 0.04 0.00 0.00 61.00 61.32 2wfm s PRO 151 Cb 0.24 -2.82 0.04 0.00 0.04 0.00 0.00 34.50 31.99 2wfm s PRO 151 CO -0.09 0.43 0.86 0.20 0.04 0.00 0.00 177.00 178.44 2wfm s GLY 152 N -2.66 1.72 -0.15 0.56 0.00 -0.72 -4.93 107.32 101.13 2wfm s GLY 152 Ca 0.41 -1.08 -0.01 0.00 0.00 0.00 0.00 44.72 44.04 2wfm s GLY 152 CO 0.26 -0.77 -0.01 -0.29 0.00 0.00 0.00 173.10 172.29 2wfm s MET 153 N -4.93 1.03 0.24 2.90 1.75 -1.26 -1.15 119.30 117.87 2wfm s MET 153 Ca 0.57 -0.35 0.01 0.00 -1.25 0.00 0.00 55.69 54.67 2wfm s MET 153 Cb -0.10 -1.81 -0.04 0.00 2.84 0.00 0.00 34.83 35.72 2wfm s MET 153 CO 0.41 -0.46 0.41 -1.54 -0.65 0.00 0.00 175.02 173.19 2wfm s SER 154 N 1.77 6.34 -0.00 1.11 1.04 0.25 -4.35 113.70 119.87 2wfm s SER 154 Ca 0.01 0.31 0.04 0.00 0.48 0.00 0.00 55.95 56.79 2wfm s SER 154 Cb -0.15 -1.97 -0.01 0.00 0.10 0.00 0.00 66.02 63.99 2wfm s SER 154 CO -0.07 -0.10 -0.12 0.00 0.98 0.00 0.00 173.24 173.93 2wfm s MET 155 N -3.72 0.94 -0.10 4.02 0.23 0.83 -1.23 119.30 120.28 2wfm s MET 155 Ca 0.37 -0.47 0.02 0.00 -1.03 0.00 0.00 55.69 54.58 2wfm s MET 155 Cb -0.10 -0.91 -0.02 0.00 -1.53 0.00 0.00 34.83 32.27 2wfm s MET 155 CO 0.31 0.24 -0.15 0.96 -2.03 0.00 0.00 175.02 174.35 2wfm s ILE 156 N -0.37 2.91 0.16 3.16 -4.36 -0.86 -0.98 121.20 120.86 2wfm s ILE 156 Ca 0.04 -0.74 -0.30 0.00 -0.26 0.00 0.00 60.65 59.39 2wfm s ILE 156 Cb -0.05 -2.18 -0.08 0.00 1.25 0.00 0.00 42.46 41.41 2wfm s ILE 156 CO -0.00 0.55 1.23 -0.76 0.24 0.00 0.00 174.94 176.20 2wfm s LEU 157 N -0.04 4.43 0.42 0.37 1.43 -1.26 -2.35 118.68 121.67 2wfm s LEU 157 Ca -0.04 2.23 -0.12 0.00 -1.03 0.00 0.00 54.13 55.17 2wfm s LEU 157 Cb -0.14 -3.60 -0.07 0.00 0.03 0.00 0.00 46.19 42.41 2wfm s LEU 157 CO 0.04 -0.43 0.81 -0.83 0.23 0.00 0.00 176.35 176.17 2wfm s GLY 158 N 0.37 2.00 0.34 -3.19 0.00 -1.26 -4.86 107.32 100.73 2wfm s GLY 158 Ca 0.55 -0.11 0.12 0.00 0.00 0.00 0.00 44.72 45.28 2wfm s GLY 158 CO 0.35 0.10 1.77 -0.56 0.00 0.00 0.00 173.10 174.76 2wfm h PRO 159 N 1.29 0.02 -0.17 2.90 0.13 -1.96 -0.65 132.00 133.56 2wfm h PRO 159 Ca -0.47 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.57 2wfm h PRO 159 Cb 1.19 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2wfm h PRO 159 CO 0.63 0.45 -0.20 1.96 -0.23 0.00 0.00 178.00 180.62 2wfm h GLN 160 N 0.02 0.44 -0.44 0.86 1.08 -1.94 -1.26 115.11 113.87 2wfm h GLN 160 Ca -0.00 -0.24 0.08 0.00 -1.45 0.00 0.00 58.65 57.03 2wfm h GLN 160 Cb 0.77 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 28.15 2wfm h GLN 160 CO 0.06 0.81 0.05 0.35 -0.95 0.00 0.00 178.83 179.15 2wfm h PHE 161 N 0.08 0.07 0.04 2.96 3.57 -1.76 -0.42 116.94 121.48 2wfm h PHE 161 Ca 0.02 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 2wfm h PHE 161 Cb 0.75 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.52 2wfm h PHE 161 CO 0.09 -0.04 -0.02 0.52 -2.23 0.00 0.00 178.31 176.63 2wfm h MET 162 N 0.17 -0.05 -0.83 1.11 2.86 -1.14 0.24 114.93 117.30 2wfm h MET 162 Ca 0.22 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.90 2wfm h MET 162 Cb 0.30 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.91 2wfm h MET 162 CO -0.32 0.03 0.53 0.00 1.06 0.00 0.00 176.91 178.21 2wfm h ALA 163 N 0.84 1.11 0.00 6.32 0.00 -1.02 0.17 119.26 126.68 2wfm h ALA 163 Ca -0.01 -0.03 -0.34 0.00 0.00 0.00 0.00 54.91 54.54 2wfm h ALA 163 Cb 0.10 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 2wfm h ALA 163 CO 0.01 0.33 -2.31 1.28 0.00 0.00 0.00 179.25 178.55 2wfm n LEU 164 N -4.59 0.06 -0.02 0.00 4.77 -0.18 -3.13 117.00 113.91 2wfm n LEU 164 Ca 0.11 0.03 0.01 0.00 -0.03 0.00 0.00 56.01 56.13 2wfm n LEU 164 Cb 0.11 0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 41.64 2wfm n LEU 164 CO 0.33 0.46 0.07 0.29 -1.33 0.00 0.00 177.39 177.20 2wfm n LYS 165 N -2.74 4.62 0.00 3.23 5.02 0.83 -4.52 118.16 124.60 2wfm n LYS 165 Ca -0.30 -0.16 0.00 0.00 -2.02 0.00 0.00 58.31 55.83 2wfm n LYS 165 Cb 1.11 -0.70 0.00 0.00 -0.02 0.00 0.00 35.03 35.42 2wfm n LYS 165 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2wfm n MET 166 N -0.76 0.00 -0.29 1.97 2.81 -1.03 -2.14 117.12 117.67 2wfm n MET 166 Ca 0.01 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 55.97 2wfm n MET 166 Cb 0.04 -0.77 0.20 0.00 -0.71 0.00 0.00 33.22 31.98 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 -2.47 0.62 0.33 2.03 3.72 0.02 -3.26 117.46 118.45 2wfm n PHE 167 Ca 0.00 -0.78 0.22 0.00 -0.05 0.00 0.00 57.45 56.84 2wfm n PHE 167 Cb 0.40 -0.20 1.17 0.00 -0.94 0.00 0.00 39.48 39.91 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 1.47 0.00 -0.32 -1.08 -0.00 -1.74 -0.24 115.11 113.21 2wfm h GLN 168 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2wfm h GLN 168 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.62 2wfm h GLN 168 CO 0.12 0.00 0.00 0.09 -0.00 0.00 0.00 178.83 179.04 2wfm n ASN 169 N -3.15 3.07 -4.95 0.06 3.02 -1.26 -4.97 115.26 107.08 2wfm n ASN 169 Ca -0.03 -2.20 -0.23 0.00 -0.03 0.00 0.00 54.58 52.09 2wfm n ASN 169 Cb 0.09 -0.28 -0.01 0.00 -0.61 0.00 0.00 39.78 38.96 2wfm n ASN 169 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wfm n SER 171 N -1.75 -0.32 0.23 0.00 3.41 -1.26 -4.89 113.62 109.03 2wfm n SER 171 Ca -0.05 0.48 0.08 0.00 -0.26 0.00 0.00 58.87 59.11 2wfm n SER 171 Cb 0.56 -1.38 0.54 0.00 -0.26 0.00 0.00 64.21 63.68 2wfm n SER 171 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 2wfm h VAL 172 N -1.24 0.92 -0.15 -3.33 -1.51 -1.99 -2.62 116.25 106.32 2wfm h VAL 172 Ca -0.45 -0.84 -0.00 0.00 -1.23 0.00 0.00 66.70 64.19 2wfm h VAL 172 Cb 1.29 1.49 -0.01 0.00 -2.13 0.00 0.00 31.29 31.93 2wfm h VAL 172 CO 0.41 0.22 0.09 -0.33 -1.23 0.00 0.00 177.57 176.73 2wfm h GLU 173 N 0.00 0.21 -0.75 5.19 3.07 -1.99 0.06 114.58 120.36 2wfm h GLU 173 Ca -0.00 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.85 2wfm h GLU 173 Cb 0.47 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.30 2wfm h GLU 173 CO 0.03 0.17 0.49 -0.44 -1.40 0.00 0.00 179.01 177.86 2wfm h ASP 174 N 0.18 0.87 -0.91 1.42 3.32 -1.85 0.13 116.42 119.59 2wfm h ASP 174 Ca 0.06 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 2wfm h ASP 174 Cb 0.01 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.30 2wfm h ASP 174 CO -0.01 0.64 0.53 0.25 -1.72 0.00 0.00 179.24 178.93 2wfm h LEU 175 N 1.02 1.11 -0.10 1.55 5.85 -1.32 -1.31 115.31 122.11 2wfm h LEU 175 Ca 0.27 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2wfm h LEU 175 Cb -0.10 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.64 2wfm h LEU 175 CO -0.06 0.87 0.03 -0.08 -0.34 0.00 0.00 178.44 178.86 2wfm h GLU 176 N 1.25 0.16 -0.54 1.25 4.57 -0.23 0.16 114.58 121.22 2wfm h GLU 176 Ca 0.32 -0.04 0.11 0.00 -1.18 0.00 0.00 59.36 58.57 2wfm h GLU 176 Cb -0.02 -0.02 -0.10 0.00 -0.16 0.00 0.00 28.75 28.45 2wfm h GLU 176 CO -0.06 0.32 -0.12 1.25 -1.18 0.00 0.00 179.01 179.22 2wfm h LEU 177 N -0.02 -0.47 -0.58 1.64 5.85 -0.92 -1.52 115.31 119.28 2wfm h LEU 177 Ca 0.03 0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.93 2wfm h LEU 177 Cb 0.22 0.32 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 2wfm h LEU 177 CO -0.00 -0.17 0.36 0.00 -0.34 0.00 0.00 178.44 178.29 2wfm h ALA 178 N 1.53 0.74 -0.03 1.25 0.00 -0.95 -1.91 119.26 119.90 2wfm h ALA 178 Ca 0.26 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2wfm h ALA 178 Cb 0.40 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2wfm h ALA 178 CO -0.54 0.11 -0.06 0.87 0.00 0.00 0.00 179.25 179.63 2wfm h LYS 179 N 0.73 0.04 0.00 0.00 1.57 -0.31 0.50 116.57 119.10 2wfm h LYS 179 Ca 0.23 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2wfm h LYS 179 Cb -0.02 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2wfm h LYS 179 CO -0.08 0.11 0.00 0.52 -0.57 0.00 0.00 179.45 179.43 2wfm h MET 180 N 0.05 0.00 0.00 3.15 2.86 -0.60 -3.38 114.93 117.00 2wfm h MET 180 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2wfm h MET 180 Cb 0.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 2wfm h MET 180 CO 0.01 0.00 -0.94 1.28 1.06 0.00 0.00 176.91 178.32 2wfm n LEU 181 N -2.73 0.00 -4.76 1.22 4.77 -0.78 -5.03 117.00 109.68 2wfm n LEU 181 Ca 0.04 -0.01 -0.41 0.00 -0.03 0.00 0.00 56.01 55.60 2wfm n LEU 181 Cb 0.47 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.54 2wfm n LEU 181 CO 0.32 0.00 1.08 0.28 -1.33 0.00 0.00 177.39 177.74 2wfm s THR 182 N -1.89 2.49 0.31 -5.08 -1.32 0.11 -4.71 115.64 105.54 2wfm s THR 182 Ca 0.00 0.45 0.09 0.00 -1.21 0.00 0.00 61.69 61.03 2wfm s THR 182 Cb 0.00 -3.29 -0.06 0.00 -1.51 0.00 0.00 72.50 67.64 2wfm s THR 182 CO 0.00 0.09 -0.11 -0.13 -2.21 0.00 0.00 174.62 172.26 2wfm s ARG 183 N -1.26 1.71 0.53 7.08 0.52 -1.17 -5.03 118.95 121.32 2wfm s ARG 183 Ca 0.55 -1.85 -0.22 0.00 -0.52 0.00 0.00 55.73 53.68 2wfm s ARG 183 Cb -0.43 -1.56 -0.06 0.00 0.52 0.00 0.00 34.95 33.42 2wfm s ARG 183 CO 0.51 0.16 1.22 -2.30 0.02 0.00 0.00 175.30 174.91 2wfm n PRO 184 N -0.69 1.52 -3.56 3.54 -0.02 -1.26 -4.46 135.00 130.07 2wfm n PRO 184 Ca -0.05 0.56 -0.14 0.00 -2.02 0.00 0.00 63.50 61.85 2wfm n PRO 184 Cb 0.63 -2.40 -0.05 0.00 -0.02 0.00 0.00 33.50 31.65 2wfm n PRO 184 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wfm n GLY 185 N 0.93 3.26 3.31 -1.23 0.00 -0.15 -4.76 105.19 106.54 2wfm n GLY 185 Ca 0.10 -1.83 -0.14 0.00 0.00 0.00 0.00 46.02 44.15 2wfm n GLY 185 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wfm s SER 186 N -2.63 -0.36 0.00 1.61 0.15 -1.26 -0.12 113.70 111.10 2wfm s SER 186 Ca 0.27 0.50 0.27 0.00 0.70 0.00 0.00 55.95 57.69 2wfm s SER 186 Cb 0.01 0.58 0.76 0.00 -1.71 0.00 0.00 66.02 65.67 2wfm s SER 186 CO 0.19 -0.33 1.58 0.18 1.20 0.00 0.00 173.24 176.06 2wfm n LEU 187 N 1.93 1.75 -3.15 3.45 4.77 -1.26 -4.97 117.00 119.52 2wfm n LEU 187 Ca -0.18 -0.57 -0.21 0.00 -0.03 0.00 0.00 56.01 55.02 2wfm n LEU 187 Cb 0.57 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 2wfm n LEU 187 CO 0.18 0.30 -0.05 0.49 -1.33 0.00 0.00 177.39 176.98 2wfm n PHE 188 N 0.25 -1.76 -0.15 -1.77 3.72 -1.26 -4.88 117.46 111.60 2wfm n PHE 188 Ca 0.16 0.40 -0.05 0.00 -0.05 0.00 0.00 57.45 57.91 2wfm n PHE 188 Cb 0.41 -3.20 0.01 0.00 -0.94 0.00 0.00 39.48 35.76 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 -0.89 -0.68 -0.14 1.38 3.57 -1.94 -0.23 116.94 118.02 2wfm h PHE 189 Ca -0.42 0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.04 2wfm h PHE 189 Cb 1.29 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 40.39 2wfm h PHE 189 CO 0.65 -0.33 -0.32 -0.56 -2.23 0.00 0.00 178.31 175.51 2wfm h GLN 190 N -0.15 0.28 -0.11 1.11 -0.00 -1.92 0.65 115.11 114.98 2wfm h GLN 190 Ca 0.22 -0.11 -0.01 0.00 -0.00 0.00 0.00 58.65 58.74 2wfm h GLN 190 Cb 0.50 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.48 27.96 2wfm h GLN 190 CO -0.57 0.58 0.02 0.22 -0.00 0.00 0.00 178.83 179.08 2wfm h ASP 191 N 0.25 0.17 -0.47 0.06 3.58 -1.65 -3.09 116.42 115.27 2wfm h ASP 191 Ca 0.03 -0.26 0.01 0.00 0.42 0.00 0.00 57.03 57.24 2wfm h ASP 191 Cb 0.70 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.68 2wfm h ASP 191 CO 0.05 0.38 0.31 -0.07 -2.88 0.00 0.00 179.24 177.03 2wfm h LEU 192 N -0.06 0.50 -2.17 2.28 3.38 -0.74 -0.30 115.31 118.21 2wfm h LEU 192 Ca 0.03 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.03 2wfm h LEU 192 Cb 0.29 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2wfm h LEU 192 CO 0.00 0.36 0.11 0.00 0.09 0.00 0.00 178.44 179.00 2wfm h ALA 193 N 1.72 1.92 0.00 1.53 0.00 -0.80 -2.67 119.26 120.97 2wfm h ALA 193 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2wfm h ALA 193 Cb -0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2wfm h ALA 193 CO -0.04 -0.18 -1.04 1.63 0.00 0.00 0.00 179.25 179.62 2wfm n LYS 194 N -4.17 0.05 -2.22 0.00 5.02 -0.21 -4.98 118.16 111.65 2wfm n LYS 194 Ca 0.00 -0.01 -0.36 0.00 -2.02 0.00 0.00 58.31 55.92 2wfm n LYS 194 Cb 0.23 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 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 -3.04 2.76 0.45 7.82 0.00 -0.68 -5.00 121.76 124.07 2wfm s ALA 195 Ca 0.07 0.89 -0.25 0.00 0.00 0.00 0.00 51.96 52.67 2wfm s ALA 195 Cb 0.16 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.82 2wfm s ALA 195 CO 0.86 -0.80 1.37 0.15 0.00 0.00 0.00 175.76 177.35 2wfm s LYS 196 N -3.11 3.72 0.73 0.00 1.02 -1.26 -4.79 119.74 116.04 2wfm s LYS 196 Ca 0.71 2.29 -0.07 0.00 0.02 0.00 0.00 55.97 58.92 2wfm s LYS 196 Cb -0.26 -2.64 0.07 0.00 -0.52 0.00 0.00 37.83 34.48 2wfm s LYS 196 CO 0.30 -0.75 1.04 -1.59 -0.92 0.00 0.00 175.35 173.44 2wfm s LYS 197 N -2.44 2.09 0.76 1.68 -2.85 -1.26 -4.90 119.74 112.81 2wfm s LYS 197 Ca 0.61 -0.25 -0.12 0.00 -1.00 0.00 0.00 55.97 55.21 2wfm s LYS 197 Cb -0.41 -2.14 0.05 0.00 -2.06 0.00 0.00 37.83 33.27 2wfm s LYS 197 CO 0.52 -1.33 1.13 -0.06 0.10 0.00 0.00 175.35 175.70 2wfm s PHE 198 N -3.31 3.12 0.22 1.78 0.08 -1.26 -5.06 117.98 113.55 2wfm s PHE 198 Ca 0.61 0.95 0.10 0.00 0.12 0.00 0.00 56.93 58.71 2wfm s PHE 198 Cb -0.10 -3.23 -0.05 0.00 -0.57 0.00 0.00 43.02 39.07 2wfm s PHE 198 CO 0.45 -1.48 -0.19 -1.54 -0.10 0.00 0.00 175.22 172.36 2wfm s SER 199 N -4.38 3.13 0.23 1.36 1.04 -1.26 -4.63 113.70 109.20 2wfm s SER 199 Ca 0.60 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 56.06 2wfm s SER 199 Cb -0.11 -0.22 0.25 0.00 0.10 0.00 0.00 66.02 66.03 2wfm s SER 199 CO 0.51 -0.01 1.60 0.71 0.98 0.00 0.00 173.24 177.03 2wfm h THR 200 N 2.69 1.31 -0.58 2.02 1.35 -1.94 0.09 112.91 117.85 2wfm h THR 200 Ca -0.41 -1.61 -0.00 0.00 -0.55 0.00 0.00 66.41 63.84 2wfm h THR 200 Cb 1.23 1.62 -0.03 0.00 -1.73 0.00 0.00 68.15 69.24 2wfm h THR 200 CO 0.57 0.50 0.36 -0.33 -0.25 0.00 0.00 175.52 176.36 2wfm h GLU 201 N 0.40 0.79 0.00 4.72 3.07 -1.95 -2.68 114.58 118.93 2wfm h GLU 201 Ca 0.03 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2wfm h GLU 201 Cb 0.92 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.66 2wfm h GLU 201 CO 0.08 0.56 0.00 0.54 -1.40 0.00 0.00 179.01 178.79 2wfm n ARG 202 N -4.64 0.00 -0.17 2.33 1.74 -1.21 -4.17 116.66 110.53 2wfm n ARG 202 Ca 0.04 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.10 2wfm n ARG 202 Cb 0.05 -0.21 0.08 0.00 -1.02 0.00 0.00 32.46 31.36 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 0.00 0.23 0.00 -1.55 3.20 -1.54 -2.05 116.97 115.26 2wfm h TYR 203 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2wfm h TYR 203 Cb 0.00 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.25 2wfm h TYR 203 CO 0.00 0.02 0.00 0.41 -1.64 0.00 0.00 178.16 176.95 2wfm n GLY 204 N -1.29 -0.82 0.02 1.82 0.00 -0.02 -2.62 105.19 102.28 2wfm n GLY 204 Ca 0.07 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.12 2wfm n GLY 204 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wfm n SER 205 N -1.27 0.62 -4.78 1.61 3.41 -0.77 -4.90 113.62 107.54 2wfm n SER 205 Ca 0.08 -0.42 -0.39 0.00 -0.26 0.00 0.00 58.87 57.88 2wfm n SER 205 Cb 0.13 0.37 -0.06 0.00 -0.26 0.00 0.00 64.21 64.39 2wfm n SER 205 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2wfm s VAL 206 N -2.97 4.75 0.27 -3.33 1.01 -1.08 -5.03 120.40 114.02 2wfm s VAL 206 Ca 0.11 1.34 -0.30 0.00 0.00 0.00 0.00 61.98 63.13 2wfm s VAL 206 Cb 0.17 -3.97 -0.11 0.00 0.00 0.00 0.00 36.38 32.48 2wfm s VAL 206 CO 0.72 0.48 1.51 -0.75 0.00 0.00 0.00 175.10 177.06 2wfm s LYS 207 N -0.65 4.20 0.08 2.72 2.20 -1.26 -4.91 119.74 122.13 2wfm s LYS 207 Ca 0.32 2.43 0.09 0.00 -0.36 0.00 0.00 55.97 58.44 2wfm s LYS 207 Cb -0.20 -3.07 -0.04 0.00 -1.51 0.00 0.00 37.83 33.02 2wfm s LYS 207 CO 0.20 -0.52 -0.20 1.03 -0.36 0.00 0.00 175.35 175.50 2wfm s ARG 208 N -0.40 1.84 0.12 4.03 0.52 -1.26 -0.68 118.95 123.12 2wfm s ARG 208 Ca 0.61 -1.12 0.04 0.00 -0.52 0.00 0.00 55.73 54.74 2wfm s ARG 208 Cb -0.45 -2.10 -0.04 0.00 0.52 0.00 0.00 34.95 32.89 2wfm s ARG 208 CO 0.45 0.50 -0.10 0.00 0.02 0.00 0.00 175.30 176.17 2wfm s ALA 209 N -1.01 1.27 -0.01 2.13 0.00 0.15 -0.69 121.76 123.60 2wfm s ALA 209 Ca 0.15 -1.33 0.05 0.00 0.00 0.00 0.00 51.96 50.84 2wfm s ALA 209 Cb -0.10 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 2wfm s ALA 209 CO 0.07 -0.06 -0.16 -0.47 0.00 0.00 0.00 175.76 175.14 2wfm s TYR 210 N -2.84 1.42 -0.17 0.00 5.04 0.34 -0.90 117.35 120.25 2wfm s TYR 210 Ca 0.11 -0.28 0.02 0.00 -2.44 0.00 0.00 57.07 54.47 2wfm s TYR 210 Cb -0.00 -0.91 0.02 0.00 0.35 0.00 0.00 41.96 41.42 2wfm s TYR 210 CO 0.00 -0.01 -0.21 0.42 -1.34 0.00 0.00 175.55 174.41 2wfm s ILE 211 N -0.43 2.05 0.30 3.14 1.01 -0.12 0.20 121.20 127.36 2wfm s ILE 211 Ca 0.06 -0.95 -0.28 0.00 0.00 0.00 0.00 60.65 59.48 2wfm s ILE 211 Cb -0.06 -1.84 -0.09 0.00 0.01 0.00 0.00 42.46 40.47 2wfm s ILE 211 CO -0.00 0.54 1.04 -0.36 0.00 0.00 0.00 174.94 176.16 2wfm s PHE 212 N 1.12 3.62 -0.34 3.97 0.08 0.27 -1.74 117.98 124.95 2wfm s PHE 212 Ca 0.01 1.75 -0.00 0.00 0.12 0.00 0.00 56.93 58.80 2wfm s PHE 212 Cb -0.14 -3.15 0.08 0.00 -0.57 0.00 0.00 43.02 39.24 2wfm s PHE 212 CO -0.09 -0.27 0.06 0.00 -0.10 0.00 0.00 175.22 174.82 2wfm h ASN 214 N 7.89 0.00 -0.38 0.00 4.21 -1.45 -2.65 115.58 123.20 2wfm h ASN 214 Ca -0.14 0.00 -0.16 0.00 1.21 0.00 0.00 56.30 57.21 2wfm h ASN 214 Cb 1.04 0.00 -0.10 0.00 -1.12 0.00 0.00 38.32 38.15 2wfm h ASN 214 CO 0.57 0.00 -0.01 -0.62 -1.29 0.00 0.00 177.43 176.09 2wfm n GLU 215 N -2.69 2.13 -2.40 0.81 1.02 -0.52 -4.68 120.64 114.31 2wfm n GLU 215 Ca 0.04 -3.09 -0.43 0.00 -0.02 0.00 0.00 57.16 53.66 2wfm n GLU 215 Cb 0.41 -1.85 -0.02 0.00 -0.02 0.00 0.00 31.44 29.95 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 -2.30 6.70 0.02 1.62 -1.08 -1.00 -4.42 116.67 116.21 2wfm s ASP 216 Ca 0.45 1.32 0.24 0.00 -0.52 0.00 0.00 52.55 54.04 2wfm s ASP 216 Cb 0.40 -2.54 0.27 0.00 -1.46 0.00 0.00 42.92 39.58 2wfm s ASP 216 CO 0.03 -1.04 1.23 0.29 0.52 0.00 0.00 175.17 176.20 2wfm n LYS 217 N 7.22 0.09 0.06 4.34 5.02 -1.24 -3.31 118.16 130.33 2wfm n LYS 217 Ca 0.15 0.01 0.05 0.00 -2.02 0.00 0.00 58.31 56.50 2wfm n LYS 217 Cb 0.46 -1.54 -0.06 0.00 -0.02 0.00 0.00 35.03 33.88 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 -1.66 0.78 -3.37 4.39 3.41 -0.91 -4.53 113.62 111.73 2wfm n SER 218 Ca 0.04 0.32 -0.27 0.00 -0.26 0.00 0.00 58.87 58.71 2wfm n SER 218 Cb 0.37 0.42 -0.10 0.00 -0.26 0.00 0.00 64.21 64.64 2wfm n SER 218 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2wfm n PHE 219 N -2.76 -0.87 -1.44 7.33 7.35 -1.26 -5.13 117.46 120.69 2wfm n PHE 219 Ca -0.06 -3.33 -0.37 0.00 -0.76 0.00 0.00 57.45 52.93 2wfm n PHE 219 Cb 0.71 0.20 0.06 0.00 0.35 0.00 0.00 39.48 40.80 2wfm n PHE 219 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 2wfm n PRO 220 N 2.67 0.58 -0.03 -7.13 -0.02 -1.21 -4.71 135.00 125.15 2wfm n PRO 220 Ca 0.29 0.24 0.07 0.00 -2.02 0.00 0.00 63.50 62.08 2wfm n PRO 220 Cb 0.49 -2.02 0.45 0.00 -0.02 0.00 0.00 33.50 32.39 2wfm n PRO 220 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2wfm h VAL 221 N 0.03 1.03 0.00 -1.45 -1.51 -1.84 -2.01 116.25 110.50 2wfm h VAL 221 Ca -0.47 -0.17 -0.02 0.00 -1.23 0.00 0.00 66.70 64.80 2wfm h VAL 221 Cb 1.36 0.48 -0.00 0.00 -2.13 0.00 0.00 31.29 30.99 2wfm h VAL 221 CO 0.47 0.09 -0.11 1.05 -1.23 0.00 0.00 177.57 177.84 2wfm h GLU 222 N 0.51 0.00 -0.36 5.19 9.09 -1.97 0.31 114.58 127.35 2wfm h GLU 222 Ca 0.20 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.55 2wfm h GLU 222 Cb 0.16 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.25 2wfm h GLU 222 CO -0.05 0.11 0.01 0.74 0.05 0.00 0.00 179.01 179.87 2wfm h PHE 223 N 0.00 0.68 -0.45 2.06 0.04 -1.69 -2.18 116.94 115.40 2wfm h PHE 223 Ca -0.00 -0.11 -0.05 0.00 2.80 0.00 0.00 57.97 60.61 2wfm h PHE 223 Cb 0.41 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.36 2wfm h PHE 223 CO 0.00 0.72 0.08 1.96 -0.60 0.00 0.00 178.31 180.48 2wfm h GLN 224 N 0.45 0.68 -0.18 1.51 4.20 -1.00 -2.35 115.11 118.42 2wfm h GLN 224 Ca 0.10 -0.13 -0.20 0.00 0.06 0.00 0.00 58.65 58.48 2wfm h GLN 224 Cb 0.44 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2wfm h GLN 224 CO 0.02 0.64 -0.67 0.87 -0.67 0.00 0.00 178.83 179.01 2wfm h LYS 225 N 0.66 0.70 -0.81 1.46 1.57 -0.53 -2.04 116.57 117.58 2wfm h LYS 225 Ca 0.15 -0.51 0.08 0.00 -1.87 0.00 0.00 60.65 58.50 2wfm h LYS 225 Cb 0.28 0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.61 2wfm h LYS 225 CO 0.00 1.13 0.47 2.35 -0.57 0.00 0.00 179.45 182.83 2wfm h TRP 226 N 0.50 0.85 -0.46 -1.35 7.01 -1.19 0.53 115.95 121.84 2wfm h TRP 226 Ca -0.02 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.01 2wfm h TRP 226 Cb 1.27 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 28.04 2wfm h TRP 226 CO 0.07 0.37 0.31 0.74 -2.79 0.00 0.00 178.44 177.14 2wfm h PHE 227 N 0.81 0.58 -0.54 2.65 0.04 -0.96 0.15 116.94 119.67 2wfm h PHE 227 Ca 0.38 0.01 -0.10 0.00 2.80 0.00 0.00 57.97 61.06 2wfm h PHE 227 Cb 0.30 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 2wfm h PHE 227 CO -0.06 0.37 -0.07 0.28 -0.60 0.00 0.00 178.31 178.23 2wfm h VAL 228 N 0.63 1.26 0.09 -0.55 2.07 -0.96 0.12 116.25 118.91 2wfm h VAL 228 Ca 0.17 -1.20 -0.28 0.00 0.82 0.00 0.00 66.70 66.21 2wfm h VAL 228 Cb -0.07 0.92 0.03 0.00 -1.52 0.00 0.00 31.29 30.64 2wfm h VAL 228 CO -0.04 0.43 -1.15 -0.33 0.02 0.00 0.00 177.57 176.50 2wfm h GLU 229 N 0.89 0.62 0.02 1.57 5.08 -0.72 -2.05 114.58 120.00 2wfm h GLU 229 Ca 0.15 -0.79 -0.38 0.00 -1.00 0.00 0.00 59.36 57.34 2wfm h GLU 229 Cb 0.61 0.25 -0.06 0.00 0.50 0.00 0.00 28.75 30.06 2wfm h GLU 229 CO 0.04 1.35 -2.34 -1.13 -1.00 0.00 0.00 179.01 175.94 2wfm n SER 230 N -3.85 1.56 0.03 1.42 3.41 0.50 -4.49 113.62 112.20 2wfm n SER 230 Ca -0.13 -0.02 -0.22 0.00 -0.26 0.00 0.00 58.87 58.24 2wfm n SER 230 Cb 0.94 -0.20 -0.14 0.00 -0.26 0.00 0.00 64.21 64.55 2wfm n SER 230 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2wfm h VAL 231 N 0.01 0.87 0.00 -3.33 2.07 -0.99 -3.51 116.25 111.38 2wfm h VAL 231 Ca -0.53 -2.43 0.00 0.00 0.82 0.00 0.00 66.70 64.56 2wfm h VAL 231 Cb 2.00 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 34.43 2wfm h VAL 231 CO -0.03 0.82 0.00 0.61 0.02 0.00 0.00 177.57 178.99 2wfm n GLY 232 N 1.86 -0.56 3.41 2.17 0.00 -0.07 -5.00 105.19 107.01 2wfm n GLY 232 Ca -0.27 -1.54 -0.10 0.00 0.00 0.00 0.00 46.02 44.12 2wfm n GLY 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wfm s ALA 233 N -3.08 0.08 0.06 4.61 0.00 -1.26 -4.87 121.76 117.31 2wfm s ALA 233 Ca 0.00 -1.00 -0.15 0.00 0.00 0.00 0.00 51.96 50.80 2wfm s ALA 233 Cb 0.00 1.03 -0.23 0.00 0.00 0.00 0.00 23.12 23.92 2wfm s ALA 233 CO 0.00 -0.72 1.18 0.22 0.00 0.00 0.00 175.76 176.44 2wfm h ASP 234 N 2.44 0.83 -3.87 0.00 3.58 -1.28 -3.46 116.42 114.66 2wfm h ASP 234 Ca -0.30 -0.73 -0.42 0.00 0.42 0.00 0.00 57.03 55.99 2wfm h ASP 234 Cb 1.24 -0.25 -0.30 0.00 1.72 0.00 0.00 39.33 41.74 2wfm h ASP 234 CO 0.44 1.45 -0.79 -0.54 -2.88 0.00 0.00 179.24 176.92 2wfm s LYS 235 N -3.33 0.93 -0.03 0.28 1.02 -1.22 -5.05 119.74 112.33 2wfm s LYS 235 Ca -0.11 -0.32 0.02 0.00 0.02 0.00 0.00 55.97 55.58 2wfm s LYS 235 Cb 0.06 -0.87 0.01 0.00 -0.52 0.00 0.00 37.83 36.51 2wfm s LYS 235 CO 0.90 0.14 -0.06 0.14 -0.92 0.00 0.00 175.35 175.54 2wfm s VAL 236 N 0.09 0.60 0.28 3.17 -7.23 -1.26 -0.50 120.40 115.55 2wfm s VAL 236 Ca -0.01 -0.21 0.11 0.00 -1.81 0.00 0.00 61.98 60.05 2wfm s VAL 236 Cb -0.07 -0.58 -0.05 0.00 0.56 0.00 0.00 36.38 36.24 2wfm s VAL 236 CO 0.00 0.22 -0.17 -0.54 -0.31 0.00 0.00 175.10 174.30 2wfm s LYS 237 N 0.56 1.64 -0.02 4.82 1.02 0.13 -4.96 119.74 122.93 2wfm s LYS 237 Ca -0.08 -1.77 0.02 0.00 0.02 0.00 0.00 55.97 54.16 2wfm s LYS 237 Cb -0.11 -1.62 0.00 0.00 -0.52 0.00 0.00 37.83 35.58 2wfm s LYS 237 CO 0.00 0.26 -0.06 -1.83 -0.92 0.00 0.00 175.35 172.81 2wfm s GLU 238 N -3.56 0.61 -0.29 1.68 -1.05 -1.26 0.93 118.70 115.76 2wfm s GLU 238 Ca 0.29 -0.18 -0.06 0.00 -0.15 0.00 0.00 54.97 54.86 2wfm s GLU 238 Cb -0.03 -0.60 0.01 0.00 -0.44 0.00 0.00 34.13 33.07 2wfm s GLU 238 CO 0.14 0.07 0.07 0.42 0.95 0.00 0.00 175.26 176.90 2wfm s ILE 239 N 0.20 3.92 0.25 1.83 1.01 0.07 -4.89 121.20 123.59 2wfm s ILE 239 Ca -0.02 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 59.97 2wfm s ILE 239 Cb -0.07 -3.00 0.03 0.00 0.01 0.00 0.00 42.46 39.43 2wfm s ILE 239 CO -0.00 0.11 1.66 0.11 0.00 0.00 0.00 174.94 176.82 2wfm h LYS 240 N 8.22 0.50 -0.33 2.79 1.57 -1.98 -2.42 116.57 124.92 2wfm h LYS 240 Ca -0.32 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 2wfm h LYS 240 Cb 1.13 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.43 2wfm h LYS 240 CO 0.60 0.77 0.00 0.39 -0.57 0.00 0.00 179.45 180.64 2wfm n GLU 241 N -4.07 2.95 -2.29 3.15 1.02 -1.26 -3.94 120.64 116.21 2wfm n GLU 241 Ca -0.01 -2.42 -0.42 0.00 -0.02 0.00 0.00 57.16 54.29 2wfm n GLU 241 Cb 0.46 -1.54 -0.03 0.00 -0.02 0.00 0.00 31.44 30.32 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 -1.80 3.53 0.78 0.62 0.00 -1.19 -4.82 121.76 118.88 2wfm s ALA 242 Ca 0.32 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.18 2wfm s ALA 242 Cb 0.22 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.81 2wfm s ALA 242 CO 0.13 -0.71 0.00 -0.40 0.00 0.00 0.00 175.76 174.78 2wfm n ASP 243 N 4.68 0.00 0.32 0.00 5.68 -1.26 -1.44 116.55 124.52 2wfm n ASP 243 Ca 0.11 -0.39 0.21 0.00 -0.50 0.00 0.00 54.79 54.22 2wfm n ASP 243 Cb 0.44 0.00 1.13 0.00 -1.14 0.00 0.00 41.12 41.56 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 -1.64 1.00 -2.13 2.12 0.00 -1.77 -3.22 119.26 113.62 2wfm h ALA 244 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.27 2wfm h ALA 244 Cb 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.40 2wfm h ALA 244 CO 0.00 0.00 -0.32 -1.33 0.00 0.00 0.00 179.25 177.60 2wfm n MET 245 N -2.99 3.00 0.18 0.00 2.81 -1.20 -4.88 117.12 114.04 2wfm n MET 245 Ca -0.03 -4.67 0.06 0.00 -1.81 0.00 0.00 57.70 51.25 2wfm n MET 245 Cb 0.08 -2.31 0.28 0.00 -0.71 0.00 0.00 33.22 30.57 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 4.29 0.00 2.00 3.03 0.00 -1.91 -0.05 103.07 110.43 2wfm h GLY 246 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 2wfm h GLY 246 CO 0.93 0.00 0.00 1.15 0.00 0.00 0.00 176.54 178.62 2wfm n MET 247 N -3.44 0.15 -0.05 4.80 0.00 -1.26 0.54 117.12 117.87 2wfm n MET 247 Ca 0.00 0.47 -0.05 0.00 0.00 0.00 0.00 57.70 58.12 2wfm n MET 247 Cb 0.55 -1.84 -0.07 0.00 0.00 0.00 0.00 33.22 31.86 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 -2.13 0.27 0.02 3.17 4.77 -0.38 -3.95 117.00 118.75 2wfm n LEU 248 Ca 0.01 -0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 55.86 2wfm n LEU 248 Cb 0.16 0.17 -0.14 0.00 -2.33 0.00 0.00 43.42 41.28 2wfm n LEU 248 CO 0.15 0.27 -0.45 0.77 -1.33 0.00 0.00 177.39 176.81 2wfm h SER 249 N 0.00 0.18 -1.10 -1.43 4.64 -1.01 -3.41 113.55 111.42 2wfm h SER 249 Ca -0.26 -0.31 -0.42 0.00 -0.47 0.00 0.00 61.79 60.33 2wfm h SER 249 Cb 1.56 -0.06 -0.41 0.00 -0.31 0.00 0.00 62.40 63.19 2wfm h SER 249 CO 0.01 1.27 -1.06 0.00 -0.87 0.00 0.00 176.83 176.19 2wfm n GLN 250 N -3.27 1.87 -0.12 4.77 1.13 0.19 -4.96 117.38 117.00 2wfm n GLN 250 Ca -0.17 -3.63 0.02 0.00 -1.94 0.00 0.00 57.00 51.27 2wfm n GLN 250 Cb 1.04 -1.57 0.32 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 2.84 0.79 -0.34 -1.09 0.13 -1.66 -0.86 132.00 131.80 2wfm h PRO 251 Ca 0.02 -0.05 -0.10 0.00 -0.87 0.00 0.00 66.00 65.00 2wfm h PRO 251 Cb 1.13 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 32.06 2wfm h PRO 251 CO 0.58 0.52 -0.20 0.00 -0.23 0.00 0.00 178.00 178.67 2wfm h ARG 252 N 0.81 0.65 -0.31 0.86 3.08 -1.91 -0.76 114.38 116.81 2wfm h ARG 252 Ca 0.22 -0.24 -0.16 0.00 0.07 0.00 0.00 59.98 59.86 2wfm h ARG 252 Cb -0.09 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 2wfm h ARG 252 CO -0.05 0.81 -0.45 0.93 -1.07 0.00 0.00 179.97 180.15 2wfm h GLU 253 N 0.58 0.85 -0.59 0.04 4.39 -1.65 0.64 114.58 118.83 2wfm h GLU 253 Ca 0.09 -0.50 0.04 0.00 0.34 0.00 0.00 59.36 59.33 2wfm h GLU 253 Cb 0.66 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.31 2wfm h GLU 253 CO 0.05 1.14 0.33 0.28 -1.16 0.00 0.00 179.01 179.65 2wfm h VAL 254 N 0.63 1.00 -0.10 3.13 2.07 -1.01 -0.04 116.25 121.93 2wfm h VAL 254 Ca 0.03 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 2wfm h VAL 254 Cb 1.05 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2wfm h VAL 254 CO 0.10 0.12 0.05 0.00 0.02 0.00 0.00 177.57 177.86 2wfm h LYS 256 N 0.06 -0.07 -0.57 0.00 1.79 -0.63 0.08 116.57 117.24 2wfm h LYS 256 Ca 0.03 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.58 2wfm h LYS 256 Cb 0.08 0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 30.68 2wfm h LYS 256 CO -0.01 -0.04 0.25 0.00 -1.08 0.00 0.00 179.45 178.58 2wfm h LEU 258 N 0.48 0.77 -0.32 0.00 5.85 -0.62 0.03 115.31 121.50 2wfm h LEU 258 Ca 0.27 -0.28 -0.14 0.00 0.84 0.00 0.00 57.88 58.57 2wfm h LEU 258 Cb 0.25 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 2wfm h LEU 258 CO -0.23 0.98 -0.35 -0.07 -0.34 0.00 0.00 178.44 178.43 2wfm h LEU 259 N 0.65 0.86 0.16 2.25 3.38 -0.75 -2.28 115.31 119.59 2wfm h LEU 259 Ca 0.09 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2wfm h LEU 259 Cb 0.75 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2wfm h LEU 259 CO 0.06 1.16 -0.16 0.44 0.09 0.00 0.00 178.44 180.04 2wfm h ASP 260 N 0.58 -0.41 -0.95 -0.43 5.19 -0.94 -2.63 116.42 116.82 2wfm h ASP 260 Ca 0.05 0.04 0.08 0.00 -0.62 0.00 0.00 57.03 56.58 2wfm h ASP 260 Cb 0.93 0.14 -0.07 0.00 0.18 0.00 0.00 39.33 40.51 2wfm h ASP 260 CO 0.08 -0.24 0.60 0.40 -3.12 0.00 0.00 179.24 176.97 2wfm h ILE 261 N -0.34 1.01 -0.00 0.35 2.04 -1.03 -3.11 117.51 116.43 2wfm h ILE 261 Ca 0.00 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.51 2wfm h ILE 261 Cb 0.32 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.28 2wfm h ILE 261 CO -0.04 0.19 -0.32 -1.54 0.00 0.00 0.00 178.15 176.45 2wfm n SER 262 N -4.59 0.81 -0.89 1.72 3.41 -0.86 -5.06 113.62 108.16 2wfm n SER 262 Ca 0.16 -0.65 0.12 0.00 -0.26 0.00 0.00 58.87 58.24 2wfm n SER 262 Cb 0.24 0.15 0.16 0.00 -0.26 0.00 0.00 64.21 64.50 2wfm n SER 262 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35