#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wfl s GLN 10 N 0.00 4.45 0.22 3.69 0.74 -1.26 -5.03 119.66 122.47 2wfl s GLN 10 Ca 0.00 1.67 0.05 0.00 0.05 0.00 0.00 55.36 57.12 2wfl s GLN 10 Cb 0.00 -3.40 -0.03 0.00 1.10 0.00 0.00 33.01 30.68 2wfl s GLN 10 CO 0.00 -0.23 0.32 0.15 -0.55 0.00 0.00 175.29 174.98 2wfl s LYS 11 N 1.20 3.37 -0.31 1.67 -0.14 -1.26 -4.95 119.74 119.32 2wfl s LYS 11 Ca 0.57 -0.76 0.01 0.00 -1.36 0.00 0.00 55.97 54.43 2wfl s LYS 11 Cb -0.27 -2.86 0.07 0.00 -1.68 0.00 0.00 37.83 33.10 2wfl s LYS 11 CO 0.28 0.45 0.01 -1.58 -0.76 0.00 0.00 175.35 173.74 2wfl s HIS 12 N -1.94 3.44 -0.17 3.18 5.65 -1.26 -1.06 115.29 123.13 2wfl s HIS 12 Ca 0.34 -2.38 -0.22 0.00 0.25 0.00 0.00 55.06 53.05 2wfl s HIS 12 Cb -0.09 -2.42 -0.02 0.00 -1.18 0.00 0.00 32.58 28.86 2wfl s HIS 12 CO 0.28 -0.89 0.68 -0.06 -0.65 0.00 0.00 174.74 174.11 2wfl s PHE 13 N 1.10 3.42 -0.24 3.88 0.08 -0.17 -0.23 117.98 125.82 2wfl s PHE 13 Ca -0.00 1.05 -0.06 0.00 0.12 0.00 0.00 56.93 58.04 2wfl s PHE 13 Cb -0.20 -2.84 -0.02 0.00 -0.57 0.00 0.00 43.02 39.39 2wfl s PHE 13 CO -0.04 -0.15 0.01 0.08 -0.10 0.00 0.00 175.22 175.02 2wfl s VAL 14 N 1.79 3.84 -0.15 -0.44 1.01 0.44 -0.85 120.40 126.03 2wfl s VAL 14 Ca 0.32 -0.34 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 2wfl s VAL 14 Cb -0.16 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 2wfl s VAL 14 CO 0.12 0.38 0.03 -0.76 0.00 0.00 0.00 175.10 174.86 2wfl s LEU 15 N 1.55 3.64 -0.15 3.92 1.43 0.25 -0.56 118.68 128.76 2wfl s LEU 15 Ca 0.06 0.06 -0.00 0.00 -1.03 0.00 0.00 54.13 53.22 2wfl s LEU 15 Cb -0.15 -1.89 0.03 0.00 0.03 0.00 0.00 46.19 44.22 2wfl s LEU 15 CO 0.00 0.23 -0.08 -0.69 0.23 0.00 0.00 176.35 176.04 2wfl s VAL 16 N 0.04 1.22 0.78 -1.59 1.01 0.81 -2.72 120.40 119.95 2wfl s VAL 16 Ca 0.04 -0.59 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 2wfl s VAL 16 Cb -0.13 -1.31 0.06 0.00 0.00 0.00 0.00 36.38 35.01 2wfl s VAL 16 CO 0.01 0.24 1.11 -1.38 0.00 0.00 0.00 175.10 175.08 2wfl s HIS 17 N 1.60 2.97 0.00 5.22 -3.43 -1.26 -0.83 115.29 119.56 2wfl s HIS 17 Ca 0.02 1.03 0.00 0.00 -0.80 0.00 0.00 55.06 55.31 2wfl s HIS 17 Cb -0.14 -3.19 0.00 0.00 -1.43 0.00 0.00 32.58 27.82 2wfl s HIS 17 CO -0.08 -1.65 0.00 0.41 -2.00 0.00 0.00 174.74 171.42 2wfl n GLY 18 N -2.58 0.75 3.77 -1.38 0.00 -1.09 -3.35 105.19 101.31 2wfl n GLY 18 Ca 0.07 -1.93 -0.38 0.00 0.00 0.00 0.00 46.02 43.78 2wfl n GLY 18 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wfl s GLY 19 N -2.11 2.85 0.00 -0.02 0.00 -1.26 -3.06 107.32 103.71 2wfl s GLY 19 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 44.72 45.71 2wfl s GLY 19 CO 0.00 1.50 0.00 0.00 0.00 0.00 0.00 173.10 174.60 2wfl n LEU 21 N 0.00 0.00 0.00 0.00 4.77 -1.17 -2.86 117.00 117.74 2wfl n LEU 21 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 2wfl n LEU 21 Cb 0.23 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.35 2wfl n LEU 21 CO 0.00 0.00 0.67 0.61 -1.33 0.00 0.00 177.39 177.34 2wfl n GLY 22 N 4.74 0.79 0.33 -0.72 0.00 -1.26 -2.82 105.19 106.24 2wfl n GLY 22 Ca 0.00 -1.18 0.16 0.00 0.00 0.00 0.00 46.02 45.00 2wfl n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wfl h ALA 23 N 2.00 1.98 0.00 4.61 0.00 -1.88 -2.51 119.26 123.46 2wfl h ALA 23 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2wfl h ALA 23 Cb 1.14 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2wfl h ALA 23 CO 0.37 -0.29 0.00 0.11 0.00 0.00 0.00 179.25 179.44 2wfl h TRP 24 N 0.00 0.00 0.00 0.00 5.08 -1.93 -0.20 115.95 118.90 2wfl h TRP 24 Ca 0.10 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.07 2wfl h TRP 24 Cb 0.46 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.62 2wfl h TRP 24 CO 0.00 0.00 0.00 -0.84 -1.28 0.00 0.00 178.44 176.32 2wfl h ILE 25 N 0.00 0.00 -0.50 0.12 3.07 -1.87 -2.16 117.51 116.17 2wfl h ILE 25 Ca 0.00 -0.25 0.00 0.00 1.55 0.00 0.00 64.86 66.16 2wfl h ILE 25 Cb 0.02 1.17 0.00 0.00 -0.27 0.00 0.00 36.82 37.74 2wfl h ILE 25 CO 0.00 0.00 0.00 0.79 -1.05 0.00 0.00 178.15 177.89 2wfl n TRP 26 N -2.90 0.72 0.30 0.16 7.02 -0.09 -4.39 117.44 118.26 2wfl n TRP 26 Ca -0.01 -0.35 0.18 0.00 -1.02 0.00 0.00 57.50 56.30 2wfl n TRP 26 Cb 0.19 -0.02 0.80 0.00 -2.42 0.00 0.00 31.31 29.86 2wfl n TRP 26 CO 0.00 0.00 0.00 0.10 -2.02 0.00 0.00 177.69 175.77 2wfl h TYR 27 N 2.93 0.00 0.04 -5.99 -0.00 -1.55 0.14 116.97 112.55 2wfl h TYR 27 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 58.73 58.38 2wfl h TYR 27 Cb 0.72 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 37.41 2wfl h TYR 27 CO 0.36 0.00 -2.05 1.63 -0.00 0.00 0.00 178.16 178.10 2wfl n LYS 28 N -2.90 0.69 0.00 0.10 5.02 -1.26 -4.34 118.16 115.47 2wfl n LYS 28 Ca -0.00 0.21 -0.18 0.00 -2.02 0.00 0.00 58.31 56.31 2wfl n LYS 28 Cb 0.21 -1.67 -0.09 0.00 -0.02 0.00 0.00 35.03 33.46 2wfl n LYS 28 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2wfl h LEU 29 N 0.03 0.90 -0.07 -0.35 5.85 -1.56 -3.25 115.31 116.86 2wfl h LEU 29 Ca -0.43 -0.68 0.02 0.00 0.84 0.00 0.00 57.88 57.64 2wfl h LEU 29 Cb 2.04 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.77 2wfl h LEU 29 CO 0.05 1.44 -0.08 0.50 -0.34 0.00 0.00 178.44 180.01 2wfl h LYS 30 N 0.42 -0.10 0.00 1.25 3.64 -0.96 0.00 116.57 120.83 2wfl h LYS 30 Ca -0.08 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 2wfl h LYS 30 Cb 1.50 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.34 2wfl h LYS 30 CO 0.17 -0.07 -0.16 -1.35 -2.27 0.00 0.00 179.45 175.78 2wfl h PRO 31 N -0.11 0.00 -0.15 1.90 0.10 -1.76 -0.37 132.00 131.62 2wfl h PRO 31 Ca 0.05 0.00 -0.08 0.00 0.10 0.00 0.00 66.00 66.08 2wfl h PRO 31 Cb 0.18 0.00 -0.00 0.00 0.10 0.00 0.00 31.00 31.28 2wfl h PRO 31 CO -0.13 0.16 -0.21 -0.07 0.10 0.00 0.00 178.00 177.85 2wfl h LEU 32 N 0.00 0.45 -1.05 2.35 4.07 -1.36 0.04 115.31 119.81 2wfl h LEU 32 Ca -0.00 -0.51 -0.08 0.00 0.08 0.00 0.00 57.88 57.36 2wfl h LEU 32 Cb 0.37 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 2wfl h LEU 32 CO 0.02 0.87 -0.23 -0.07 -1.08 0.00 0.00 178.44 177.95 2wfl h LEU 33 N 0.04 0.40 -0.66 1.67 3.38 -0.52 -1.90 115.31 117.72 2wfl h LEU 33 Ca 0.02 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 2wfl h LEU 33 Cb 0.77 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2wfl h LEU 33 CO 0.05 0.64 -0.42 -0.33 0.09 0.00 0.00 178.44 178.47 2wfl h GLU 34 N 0.36 0.56 0.00 1.13 5.08 -0.90 -1.96 114.58 118.86 2wfl h GLU 34 Ca 0.06 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.07 2wfl h GLU 34 Cb 0.60 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2wfl h GLU 34 CO 0.04 0.88 -0.26 0.77 -1.00 0.00 0.00 179.01 179.44 2wfl h SER 35 N 0.46 0.00 0.44 1.42 0.02 -0.60 -0.82 113.55 114.47 2wfl h SER 35 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2wfl h SER 35 Cb 0.92 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.46 2wfl h SER 35 CO 0.08 0.26 0.00 0.00 -1.14 0.00 0.00 176.83 176.03 2wfl n ALA 36 N -2.34 2.06 0.00 3.77 0.00 -0.75 -4.86 120.51 118.39 2wfl n ALA 36 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2wfl n ALA 36 Cb 0.36 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.48 2wfl n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wfl n GLY 37 N 0.50 1.07 3.88 0.00 0.00 -0.31 -5.09 105.19 105.24 2wfl n GLY 37 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 2wfl n GLY 37 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wfl s HIS 38 N -2.00 3.15 -0.03 1.61 3.76 -0.78 -4.73 115.29 116.26 2wfl s HIS 38 Ca 0.00 -0.13 -0.07 0.00 -0.15 0.00 0.00 55.06 54.70 2wfl s HIS 38 Cb 0.00 -1.57 -0.05 0.00 1.11 0.00 0.00 32.58 32.08 2wfl s HIS 38 CO 0.00 0.39 0.23 0.21 -0.85 0.00 0.00 174.74 174.73 2wfl s LYS 39 N -3.93 3.56 -0.02 1.40 2.20 -0.23 -4.03 119.74 118.69 2wfl s LYS 39 Ca 0.36 -0.07 0.01 0.00 -0.36 0.00 0.00 55.97 55.91 2wfl s LYS 39 Cb -0.08 -3.13 0.02 0.00 -1.51 0.00 0.00 37.83 33.13 2wfl s LYS 39 CO 0.27 0.70 -0.01 0.08 -0.36 0.00 0.00 175.35 176.03 2wfl s VAL 40 N -1.19 0.19 -0.20 4.02 1.01 -1.26 -1.00 120.40 121.97 2wfl s VAL 40 Ca 0.23 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 2wfl s VAL 40 Cb -0.13 -0.25 0.01 0.00 0.00 0.00 0.00 36.38 36.01 2wfl s VAL 40 CO 0.12 0.12 -0.14 -0.89 0.00 0.00 0.00 175.10 174.31 2wfl s THR 41 N 0.69 2.52 -0.26 3.92 2.01 -0.03 -4.98 115.64 119.51 2wfl s THR 41 Ca -0.07 -0.79 -0.06 0.00 0.31 0.00 0.00 61.69 61.08 2wfl s THR 41 Cb -0.10 -2.10 -0.00 0.00 0.01 0.00 0.00 72.50 70.31 2wfl s THR 41 CO -0.01 0.49 0.03 0.00 -0.69 0.00 0.00 174.62 174.44 2wfl s ALA 42 N 1.35 2.98 -0.12 7.40 0.00 -1.26 -0.58 121.76 131.53 2wfl s ALA 42 Ca 0.05 -1.30 -0.07 0.00 0.00 0.00 0.00 51.96 50.64 2wfl s ALA 42 Cb -0.14 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 20.98 2wfl s ALA 42 CO -0.10 -0.68 0.14 0.54 0.00 0.00 0.00 175.76 175.67 2wfl s VAL 43 N 1.50 5.50 -0.20 0.00 0.11 -1.10 -4.82 120.40 121.39 2wfl s VAL 43 Ca 0.04 0.22 -0.20 0.00 -2.93 0.00 0.00 61.98 59.11 2wfl s VAL 43 Cb -0.16 -3.41 -0.03 0.00 -1.53 0.00 0.00 36.38 31.26 2wfl s VAL 43 CO 0.00 0.61 0.61 -1.81 -3.33 0.00 0.00 175.10 171.18 2wfl s ASP 44 N -0.97 6.66 0.98 3.54 1.01 -1.26 -3.60 116.67 123.03 2wfl s ASP 44 Ca 0.15 0.79 -0.15 0.00 0.71 0.00 0.00 52.55 54.05 2wfl s ASP 44 Cb -0.12 -2.34 0.19 0.00 1.01 0.00 0.00 42.92 41.66 2wfl s ASP 44 CO 0.04 -0.26 1.22 -0.76 0.21 0.00 0.00 175.17 175.62 2wfl s LEU 45 N 1.89 2.14 0.25 1.23 1.43 -1.26 -4.70 118.68 119.65 2wfl s LEU 45 Ca 0.28 0.56 -0.30 0.00 -1.03 0.00 0.00 54.13 53.63 2wfl s LEU 45 Cb -0.16 -2.66 -0.10 0.00 0.03 0.00 0.00 46.19 43.31 2wfl s LEU 45 CO 0.10 -2.86 1.44 -0.44 0.23 0.00 0.00 176.35 174.82 2wfl s SER 46 N -4.47 6.66 -2.01 2.29 0.01 -0.59 -1.57 113.70 114.02 2wfl s SER 46 Ca 0.70 2.66 0.00 0.00 1.31 0.00 0.00 55.95 60.61 2wfl s SER 46 Cb -0.08 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.53 2wfl s SER 46 CO 0.53 -0.70 0.00 0.00 0.41 0.00 0.00 173.24 173.48 2wfl n ALA 47 N 2.36 -0.35 -2.45 1.44 0.00 -1.24 -4.91 120.51 115.36 2wfl n ALA 47 Ca 0.07 0.29 -0.25 0.00 0.00 0.00 0.00 53.44 53.55 2wfl n ALA 47 Cb 0.40 -1.99 -0.11 0.00 0.00 0.00 0.00 19.45 17.75 2wfl n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wfl s ALA 48 N -2.78 2.63 0.00 0.00 0.00 -0.61 -4.72 121.76 116.29 2wfl s ALA 48 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 50.19 2wfl s ALA 48 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.84 2wfl s ALA 48 CO 0.00 0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.50 2wfl n GLY 49 N -0.26 3.43 1.43 0.00 0.00 -1.13 -0.53 105.19 108.14 2wfl n GLY 49 Ca -0.08 -0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.97 2wfl n GLY 49 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2wfl n ILE 50 N 0.00 2.60 -1.74 -0.61 -5.35 -1.26 -4.97 119.36 108.03 2wfl n ILE 50 Ca 0.00 -1.81 -0.42 0.00 -0.27 0.00 0.00 62.75 60.25 2wfl n ILE 50 Cb 0.00 -0.30 -0.01 0.00 -1.74 0.00 0.00 39.64 37.59 2wfl n ILE 50 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2wfl n ASN 51 N -0.24 3.65 -0.35 7.28 5.15 0.31 -4.84 115.26 126.21 2wfl n ASN 51 Ca 0.29 1.16 0.09 0.00 -0.60 0.00 0.00 54.58 55.52 2wfl n ASN 51 Cb 1.11 -1.57 0.37 0.00 -0.53 0.00 0.00 39.78 39.15 2wfl n ASN 51 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2wfl n PRO 52 N 1.73 1.46 -1.96 1.20 -0.04 -1.26 -4.31 135.00 131.83 2wfl n PRO 52 Ca 0.07 -0.70 -0.31 0.00 -0.04 0.00 0.00 63.50 62.52 2wfl n PRO 52 Cb 0.36 -1.31 0.01 0.00 -0.04 0.00 0.00 33.50 32.52 2wfl n PRO 52 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2wfl s ARG 53 N -1.84 3.63 0.05 0.54 1.81 -1.26 -4.97 118.95 116.91 2wfl s ARG 53 Ca 0.27 0.74 -0.06 0.00 -1.72 0.00 0.00 55.73 54.96 2wfl s ARG 53 Cb 0.14 -2.10 -0.05 0.00 -0.45 0.00 0.00 34.95 32.49 2wfl s ARG 53 CO 0.21 -0.52 0.30 1.03 -0.68 0.00 0.00 175.30 175.64 2wfl s ARG 54 N -5.05 3.60 0.19 3.54 0.52 -1.26 -3.73 118.95 116.75 2wfl s ARG 54 Ca 0.55 -0.08 -0.11 0.00 -0.52 0.00 0.00 55.73 55.57 2wfl s ARG 54 Cb -0.11 -3.02 0.10 0.00 0.52 0.00 0.00 34.95 32.44 2wfl s ARG 54 CO 0.51 0.60 1.79 1.25 0.02 0.00 0.00 175.30 179.47 2wfl h LEU 55 N 3.66 0.83 0.00 2.53 5.85 -1.91 -0.14 115.31 126.13 2wfl h LEU 55 Ca -0.49 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.12 2wfl h LEU 55 Cb 1.19 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.01 2wfl h LEU 55 CO 0.68 0.71 0.00 -0.90 -0.34 0.00 0.00 178.44 178.59 2wfl n ASP 56 N -4.51 0.00 -0.30 1.25 5.68 -1.26 0.63 116.55 118.04 2wfl n ASP 56 Ca 0.05 -0.42 0.03 0.00 -0.50 0.00 0.00 54.79 53.95 2wfl n ASP 56 Cb 0.11 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.14 2wfl n ASP 56 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2wfl n GLU 57 N -0.85 1.13 -3.80 0.11 0.28 -0.08 -4.81 120.64 112.61 2wfl n GLU 57 Ca 0.05 -1.26 -0.37 0.00 -0.16 0.00 0.00 57.16 55.42 2wfl n GLU 57 Cb 0.02 -1.14 -0.13 0.00 1.43 0.00 0.00 31.44 31.63 2wfl n GLU 57 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2wfl s ILE 58 N -0.72 3.71 -0.17 3.84 1.01 0.20 -4.93 121.20 124.14 2wfl s ILE 58 Ca 0.10 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 59.97 2wfl s ILE 58 Cb 0.06 -2.93 -0.02 0.00 0.01 0.00 0.00 42.46 39.58 2wfl s ILE 58 CO 0.08 0.08 0.21 1.41 0.00 0.00 0.00 174.94 176.72 2wfl n HIS 59 N 4.82 0.00 -4.24 3.97 8.25 -1.26 -4.93 115.22 121.82 2wfl n HIS 59 Ca -0.15 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.11 2wfl n HIS 59 Cb 0.47 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.47 2wfl n HIS 59 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2wfl s THR 60 N -1.04 1.43 0.31 1.59 -4.23 -1.26 -4.75 115.64 107.69 2wfl s THR 60 Ca 0.01 -1.58 0.06 0.00 -1.18 0.00 0.00 61.69 59.01 2wfl s THR 60 Cb 0.02 -1.45 0.07 0.00 1.34 0.00 0.00 72.50 72.48 2wfl s THR 60 CO 0.09 -0.26 1.75 0.15 -0.54 0.00 0.00 174.62 175.82 2wfl h PHE 61 N 3.85 0.33 -0.36 3.99 3.57 -1.92 -1.52 116.94 124.89 2wfl h PHE 61 Ca -0.42 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.00 2wfl h PHE 61 Cb 1.19 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 2wfl h PHE 61 CO 0.64 0.58 0.21 0.00 -2.23 0.00 0.00 178.31 177.51 2wfl h ARG 62 N 0.26 0.49 -0.86 1.11 3.08 -1.97 0.10 114.38 116.59 2wfl h ARG 62 Ca 0.04 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2wfl h ARG 62 Cb 0.68 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.59 2wfl h ARG 62 CO 0.05 0.38 0.54 -0.44 -1.07 0.00 0.00 179.97 179.43 2wfl h ASP 63 N 0.46 1.02 -0.86 7.04 3.32 -1.92 -1.67 116.42 123.82 2wfl h ASP 63 Ca 0.13 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2wfl h ASP 63 Cb 0.02 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.27 2wfl h ASP 63 CO -0.02 0.77 0.55 0.22 -1.72 0.00 0.00 179.24 179.04 2wfl h TYR 64 N 1.18 1.09 -0.00 4.55 3.20 -0.99 -2.90 116.97 123.10 2wfl h TYR 64 Ca 0.31 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.20 2wfl h TYR 64 Cb -0.08 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 37.82 2wfl h TYR 64 CO -0.00 0.70 -0.12 0.43 -1.64 0.00 0.00 178.16 177.53 2wfl n SER 65 N -4.47 0.60 -0.28 -2.11 7.64 -0.00 -1.53 113.62 113.47 2wfl n SER 65 Ca 0.09 -0.71 0.07 0.00 1.01 0.00 0.00 58.87 59.33 2wfl n SER 65 Cb 0.03 -0.03 0.21 0.00 -1.01 0.00 0.00 64.21 63.40 2wfl n SER 65 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2wfl h GLU 66 N 0.76 0.52 -0.50 1.43 4.57 -1.10 -0.09 114.58 120.17 2wfl h GLU 66 Ca 0.00 -0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.20 2wfl h GLU 66 Cb 0.37 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 2wfl h GLU 66 CO 0.00 0.34 0.33 -1.35 -1.18 0.00 0.00 179.01 177.15 2wfl h PRO 67 N 0.53 0.48 -0.26 0.92 0.11 -1.82 0.15 132.00 132.10 2wfl h PRO 67 Ca 0.45 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.46 2wfl h PRO 67 Cb 0.66 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 2wfl h PRO 67 CO -0.39 0.32 -0.12 1.25 -0.21 0.00 0.00 178.00 178.85 2wfl h LEU 68 N 0.49 0.56 -1.15 2.35 5.85 -1.35 -2.64 115.31 119.42 2wfl h LEU 68 Ca 0.21 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 2wfl h LEU 68 Cb 0.21 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 2wfl h LEU 68 CO -0.05 0.84 0.40 0.24 -0.34 0.00 0.00 178.44 179.52 2wfl h MET 69 N 0.28 0.99 -0.66 1.25 2.86 -0.43 0.28 114.93 119.50 2wfl h MET 69 Ca 0.06 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2wfl h MET 69 Cb 0.62 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 2wfl h MET 69 CO 0.04 0.72 0.43 0.93 1.06 0.00 0.00 176.91 180.08 2wfl h GLU 70 N 1.00 0.87 -0.66 1.72 5.08 -0.78 0.60 114.58 122.42 2wfl h GLU 70 Ca 0.26 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 2wfl h GLU 70 Cb 0.01 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 2wfl h GLU 70 CO -0.04 0.59 0.38 0.28 -1.00 0.00 0.00 179.01 179.21 2wfl h VAL 71 N 0.89 1.20 -0.67 3.13 2.07 -0.96 -2.18 116.25 119.74 2wfl h VAL 71 Ca 0.24 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 2wfl h VAL 71 Cb -0.08 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 29.98 2wfl h VAL 71 CO -0.05 0.22 0.27 0.24 0.02 0.00 0.00 177.57 178.26 2wfl h MET 72 N 0.90 0.99 0.00 1.57 2.86 -0.10 -1.79 114.93 119.37 2wfl h MET 72 Ca 0.23 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 2wfl h MET 72 Cb 0.02 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.51 2wfl h MET 72 CO -0.04 0.83 -0.08 0.00 1.06 0.00 0.00 176.91 178.68 2wfl h ALA 73 N 1.12 1.16 -0.02 6.32 0.00 0.42 -2.86 119.26 125.40 2wfl h ALA 73 Ca 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2wfl h ALA 73 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2wfl h ALA 73 CO -0.02 0.11 -0.08 -1.13 0.00 0.00 0.00 179.25 178.12 2wfl n SER 74 N -3.42 2.01 -4.69 0.00 3.41 -0.69 -4.88 113.62 105.36 2wfl n SER 74 Ca -0.01 -1.59 -0.42 0.00 -0.26 0.00 0.00 58.87 56.58 2wfl n SER 74 Cb 0.24 0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 2wfl n SER 74 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2wfl s ILE 75 N -2.12 2.72 0.96 -1.33 -1.09 -1.08 -4.95 121.20 114.31 2wfl s ILE 75 Ca 0.31 0.16 -0.11 0.00 -2.23 0.00 0.00 60.65 58.78 2wfl s ILE 75 Cb 0.20 -3.10 0.17 0.00 -1.58 0.00 0.00 42.46 38.14 2wfl s ILE 75 CO 0.37 -0.00 1.11 -2.84 -1.23 0.00 0.00 174.94 172.35 2wfl s PRO 76 N 2.91 0.71 0.29 2.79 0.02 -1.26 -4.90 135.00 135.56 2wfl s PRO 76 Ca 0.80 1.28 -0.01 0.00 0.02 0.00 0.00 61.00 63.08 2wfl s PRO 76 Cb -0.44 -1.71 0.66 0.00 0.02 0.00 0.00 34.50 33.03 2wfl s PRO 76 CO 0.36 -2.75 1.58 -1.35 -0.33 0.00 0.00 177.00 174.51 2wfl h PRO 77 N -1.94 0.03 -0.53 5.54 0.11 -1.98 -2.62 132.00 130.60 2wfl h PRO 77 Ca -0.48 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 2wfl h PRO 77 Cb 1.28 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.33 2wfl h PRO 77 CO 0.46 0.02 0.09 -0.25 -0.21 0.00 0.00 178.00 178.11 2wfl n ASP 78 N -5.47 4.74 -4.51 -2.05 8.00 -1.26 -4.95 116.55 111.05 2wfl n ASP 78 Ca 0.20 -3.11 -0.25 0.00 0.71 0.00 0.00 54.79 52.34 2wfl n ASP 78 Cb 0.67 -0.67 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 2wfl n ASP 78 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2wfl s GLU 79 N -2.90 1.75 0.27 -1.24 2.02 -0.99 -5.14 118.70 112.47 2wfl s GLU 79 Ca 0.51 -1.86 0.02 0.00 0.02 0.00 0.00 54.97 53.65 2wfl s GLU 79 Cb 0.41 -1.72 -0.05 0.00 0.10 0.00 0.00 34.13 32.86 2wfl s GLU 79 CO 0.12 0.22 0.09 0.15 0.02 0.00 0.00 175.26 175.86 2wfl s LYS 80 N -3.57 1.46 0.24 1.61 1.02 -1.26 -4.78 119.74 114.46 2wfl s LYS 80 Ca 0.31 -1.79 0.08 0.00 0.02 0.00 0.00 55.97 54.59 2wfl s LYS 80 Cb -0.01 -0.36 -0.05 0.00 -0.52 0.00 0.00 37.83 36.89 2wfl s LYS 80 CO 0.16 -0.28 -0.12 0.14 -0.92 0.00 0.00 175.35 174.32 2wfl s VAL 81 N -3.67 1.82 -0.23 3.17 -7.23 0.39 -4.47 120.40 110.19 2wfl s VAL 81 Ca 0.38 -2.21 -0.08 0.00 -1.81 0.00 0.00 61.98 58.26 2wfl s VAL 81 Cb 0.08 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 2wfl s VAL 81 CO 0.14 -0.47 0.08 -0.69 -0.31 0.00 0.00 175.10 173.85 2wfl s VAL 82 N -2.91 4.57 0.03 1.32 1.01 0.68 -0.81 120.40 124.29 2wfl s VAL 82 Ca 0.26 -0.09 -0.10 0.00 0.00 0.00 0.00 61.98 62.04 2wfl s VAL 82 Cb 0.00 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 2wfl s VAL 82 CO 0.10 0.38 0.36 -0.76 0.00 0.00 0.00 175.10 175.17 2wfl s LEU 83 N 1.15 4.39 -0.13 3.92 1.43 -0.76 -0.42 118.68 128.26 2wfl s LEU 83 Ca 0.05 0.77 -0.00 0.00 -1.03 0.00 0.00 54.13 53.92 2wfl s LEU 83 Cb -0.14 -2.73 0.03 0.00 0.03 0.00 0.00 46.19 43.37 2wfl s LEU 83 CO 0.04 0.25 -0.08 -0.22 0.23 0.00 0.00 176.35 176.57 2wfl s LEU 84 N -1.57 1.32 -0.17 1.79 2.96 0.28 -0.17 118.68 123.13 2wfl s LEU 84 Ca 0.28 -0.39 -0.01 0.00 -0.22 0.00 0.00 54.13 53.79 2wfl s LEU 84 Cb -0.14 -0.90 -0.01 0.00 0.50 0.00 0.00 46.19 45.64 2wfl s LEU 84 CO 0.15 -0.12 -0.11 -0.83 -1.32 0.00 0.00 176.35 174.12 2wfl s GLY 85 N 1.67 1.54 -0.21 7.98 0.00 0.43 -0.13 107.32 118.59 2wfl s GLY 85 Ca 0.04 -1.02 -0.11 0.00 0.00 0.00 0.00 44.72 43.63 2wfl s GLY 85 CO -0.08 0.07 0.17 -1.58 0.00 0.00 0.00 173.10 171.67 2wfl s HIS 86 N 0.84 3.39 0.00 1.90 2.46 -0.01 -1.04 115.29 122.81 2wfl s HIS 86 Ca -0.04 0.34 0.00 0.00 0.47 0.00 0.00 55.06 55.83 2wfl s HIS 86 Cb -0.15 -2.23 0.00 0.00 -0.13 0.00 0.00 32.58 30.07 2wfl s HIS 86 CO 0.00 0.21 0.00 0.45 -2.47 0.00 0.00 174.74 172.93 2wfl n SER 87 N 3.79 0.00 0.30 9.88 2.88 -0.75 0.12 113.62 129.84 2wfl n SER 87 Ca -0.15 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.57 2wfl n SER 87 Cb 0.52 0.00 0.94 0.00 -0.75 0.00 0.00 64.21 64.92 2wfl n SER 87 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2wfl h PHE 88 N 0.00 0.00 -0.37 0.66 3.57 -1.86 0.15 116.94 119.09 2wfl h PHE 88 Ca 0.00 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.61 2wfl h PHE 88 Cb 0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2wfl h PHE 88 CO 0.00 0.00 0.36 0.78 -2.23 0.00 0.00 178.31 177.22 2wfl h GLY 89 N 0.00 0.00 2.00 2.40 0.00 -0.32 0.94 103.07 108.09 2wfl h GLY 89 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 2wfl h GLY 89 CO -0.00 0.00 -0.04 -1.33 0.00 0.00 0.00 176.54 175.17 2wfl h GLY 90 N 0.00 0.00 1.77 4.60 0.00 -0.80 -0.32 103.07 108.32 2wfl h GLY 90 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.34 2wfl h GLY 90 CO -0.00 0.00 -0.71 -0.33 0.00 0.00 0.00 176.54 175.49 2wfl h MET 91 N 0.00 0.22 -0.07 4.80 2.07 -1.01 -1.73 114.93 119.22 2wfl h MET 91 Ca -0.00 -0.18 -0.21 0.00 -2.07 0.00 0.00 59.70 57.24 2wfl h MET 91 Cb 0.07 0.04 0.00 0.00 -1.87 0.00 0.00 31.60 29.84 2wfl h MET 91 CO 0.00 0.84 -0.82 0.77 1.07 0.00 0.00 176.91 178.77 2wfl h SER 92 N 0.15 0.64 -0.50 1.22 0.02 -1.29 -2.55 113.55 111.23 2wfl h SER 92 Ca -0.02 -0.45 0.10 0.00 -0.84 0.00 0.00 61.79 60.58 2wfl h SER 92 Cb 1.27 -0.19 -0.10 0.00 0.14 0.00 0.00 62.40 63.52 2wfl h SER 92 CO 0.11 1.22 -0.16 -0.07 -1.14 0.00 0.00 176.83 176.80 2wfl h LEU 93 N 0.34 -0.57 -0.79 5.07 4.07 -1.04 -0.38 115.31 122.02 2wfl h LEU 93 Ca -0.06 0.16 0.07 0.00 0.08 0.00 0.00 57.88 58.13 2wfl h LEU 93 Cb 1.43 0.35 -0.06 0.00 1.08 0.00 0.00 40.66 43.46 2wfl h LEU 93 CO 0.15 -0.20 0.47 1.23 -1.08 0.00 0.00 178.44 179.01 2wfl h GLY 94 N -0.04 1.19 1.02 0.83 0.00 -1.07 0.40 103.07 105.40 2wfl h GLY 94 Ca 0.24 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 47.18 2wfl h GLY 94 CO -0.54 0.19 0.11 -2.00 0.00 0.00 0.00 176.54 174.30 2wfl h LEU 95 N 0.83 0.90 -0.67 3.11 5.85 -1.19 0.32 115.31 124.47 2wfl h LEU 95 Ca 0.36 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 2wfl h LEU 95 Cb 0.23 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 2wfl h LEU 95 CO -0.20 0.92 0.29 0.00 -0.34 0.00 0.00 178.44 179.12 2wfl h ALA 96 N 1.01 0.87 -0.34 1.25 0.00 0.04 -0.96 119.26 121.13 2wfl h ALA 96 Ca 0.18 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2wfl h ALA 96 Cb 0.40 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2wfl h ALA 96 CO 0.01 0.47 -0.27 0.52 0.00 0.00 0.00 179.25 179.97 2wfl h MET 97 N 0.94 0.71 -0.20 0.00 2.86 0.14 0.19 114.93 119.57 2wfl h MET 97 Ca 0.23 -0.30 -0.13 0.00 -2.06 0.00 0.00 59.70 57.44 2wfl h MET 97 Cb 0.17 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 2wfl h MET 97 CO -0.02 0.90 -0.42 1.49 1.06 0.00 0.00 176.91 179.92 2wfl h GLU 98 N 0.61 0.47 0.10 1.72 4.57 -0.21 -2.87 114.58 118.96 2wfl h GLU 98 Ca 0.08 -0.24 -0.24 0.00 -1.18 0.00 0.00 59.36 57.78 2wfl h GLU 98 Cb 0.77 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.37 2wfl h GLU 98 CO 0.06 0.80 -1.19 1.15 -1.18 0.00 0.00 179.01 178.66 2wfl h THR 99 N 0.39 1.16 -1.87 0.32 2.02 -0.85 -3.41 112.91 110.67 2wfl h THR 99 Ca 0.03 -2.40 -0.56 0.00 0.77 0.00 0.00 66.41 64.25 2wfl h THR 99 Cb 0.89 2.80 -0.42 0.00 -1.74 0.00 0.00 68.15 69.69 2wfl h THR 99 CO 0.08 0.66 -0.78 -1.22 0.37 0.00 0.00 175.52 174.63 2wfl n TYR 100 N -4.06 3.17 -0.24 3.16 4.01 0.65 -4.92 117.16 118.93 2wfl n TYR 100 Ca -0.23 -3.56 -0.02 0.00 -0.16 0.00 0.00 57.90 53.93 2wfl n TYR 100 Cb 0.83 -0.33 0.09 0.00 -0.31 0.00 0.00 39.34 39.63 2wfl n TYR 100 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2wfl h PRO 101 N 2.84 0.77 0.00 -0.72 0.13 -1.66 -0.66 132.00 132.69 2wfl h PRO 101 Ca 0.17 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2wfl h PRO 101 Cb 0.76 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.72 2wfl h PRO 101 CO 0.77 0.51 0.00 -0.85 -0.23 0.00 0.00 178.00 178.20 2wfl n GLU 102 N -4.71 0.00 -0.00 0.86 -0.00 -1.26 -2.39 120.64 113.14 2wfl n GLU 102 Ca 0.08 0.46 0.12 0.00 -0.00 0.00 0.00 57.16 57.82 2wfl n GLU 102 Cb 0.13 -1.50 0.20 0.00 -0.00 0.00 0.00 31.44 30.27 2wfl n GLU 102 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2wfl n LYS 103 N -1.50 2.18 -4.75 3.44 4.76 -0.26 -4.90 118.16 117.13 2wfl n LYS 103 Ca 0.01 -1.71 -0.30 0.00 -2.87 0.00 0.00 58.31 53.44 2wfl n LYS 103 Cb 0.03 -1.47 -0.17 0.00 -1.84 0.00 0.00 35.03 31.58 2wfl n LYS 103 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2wfl s ILE 104 N -1.99 1.78 -0.06 -0.18 1.01 -1.00 -0.46 121.20 120.30 2wfl s ILE 104 Ca 0.31 -0.83 -0.15 0.00 0.00 0.00 0.00 60.65 59.98 2wfl s ILE 104 Cb 0.20 -1.58 -0.30 0.00 0.01 0.00 0.00 42.46 40.79 2wfl s ILE 104 CO 0.31 0.50 0.71 0.77 0.00 0.00 0.00 174.94 177.22 2wfl h SER 105 N 7.14 0.56 -3.85 3.58 4.64 -1.28 -3.46 113.55 120.88 2wfl h SER 105 Ca -0.28 -0.91 -0.12 0.00 -0.47 0.00 0.00 61.79 60.01 2wfl h SER 105 Cb 1.20 -0.18 -0.24 0.00 -0.31 0.00 0.00 62.40 62.87 2wfl h SER 105 CO 0.50 1.67 -0.23 0.54 -0.87 0.00 0.00 176.83 178.44 2wfl s VAL 106 N -2.53 -0.00 -0.29 0.95 0.11 -1.26 -4.31 120.40 113.07 2wfl s VAL 106 Ca -0.16 0.01 -0.10 0.00 -2.93 0.00 0.00 61.98 58.80 2wfl s VAL 106 Cb 0.04 -0.58 -0.02 0.00 -1.53 0.00 0.00 36.38 34.29 2wfl s VAL 106 CO 0.84 0.00 0.15 0.00 -3.33 0.00 0.00 175.10 172.75 2wfl s ALA 107 N 0.28 3.31 -0.23 1.54 0.00 0.87 -1.84 121.76 125.70 2wfl s ALA 107 Ca -0.01 -1.27 -0.10 0.00 0.00 0.00 0.00 51.96 50.58 2wfl s ALA 107 Cb -0.03 -2.35 -0.05 0.00 0.00 0.00 0.00 23.12 20.69 2wfl s ALA 107 CO -0.00 -0.75 0.14 0.08 0.00 0.00 0.00 175.76 175.23 2wfl s VAL 108 N 1.65 5.21 -0.11 0.00 1.01 0.76 -0.83 120.40 128.08 2wfl s VAL 108 Ca 0.06 0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.13 2wfl s VAL 108 Cb -0.16 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 2wfl s VAL 108 CO 0.07 0.36 0.03 -0.36 0.00 0.00 0.00 175.10 175.20 2wfl s PHE 109 N 0.99 3.23 -0.05 5.22 0.08 0.59 -0.43 117.98 127.61 2wfl s PHE 109 Ca 0.07 0.19 -0.01 0.00 0.12 0.00 0.00 56.93 57.30 2wfl s PHE 109 Cb -0.13 -1.87 0.03 0.00 -0.57 0.00 0.00 43.02 40.48 2wfl s PHE 109 CO 0.04 0.43 0.01 1.41 -0.10 0.00 0.00 175.22 177.00 2wfl s MET 110 N -0.63 0.40 -1.57 0.44 -2.45 -0.21 -0.14 119.30 115.15 2wfl s MET 110 Ca 0.11 0.14 -0.11 0.00 -1.25 0.00 0.00 55.69 54.58 2wfl s MET 110 Cb -0.12 -0.74 0.09 0.00 1.25 0.00 0.00 34.83 35.31 2wfl s MET 110 CO 0.02 -0.25 0.69 0.43 1.05 0.00 0.00 175.02 176.96 2wfl n SER 111 N 4.85 -2.47 -3.98 1.11 7.64 -1.22 -2.76 113.62 116.79 2wfl n SER 111 Ca -0.12 -0.97 -0.16 0.00 1.01 0.00 0.00 58.87 58.63 2wfl n SER 111 Cb 0.50 -3.08 -0.14 0.00 -1.01 0.00 0.00 64.21 60.48 2wfl n SER 111 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wfl s ALA 112 N -3.53 0.51 0.11 -0.43 0.00 -1.26 -1.82 121.76 115.33 2wfl s ALA 112 Ca 0.46 -0.31 -0.31 0.00 0.00 0.00 0.00 51.96 51.79 2wfl s ALA 112 Cb -0.24 -0.11 -0.08 0.00 0.00 0.00 0.00 23.12 22.68 2wfl s ALA 112 CO 0.90 0.11 1.47 -1.64 0.00 0.00 0.00 175.76 176.60 2wfl s MET 113 N -0.29 4.27 -0.24 0.00 -1.94 -1.26 -4.92 119.30 114.91 2wfl s MET 113 Ca 0.01 2.17 -0.16 0.00 -1.71 0.00 0.00 55.69 56.00 2wfl s MET 113 Cb -0.03 -3.32 -0.03 0.00 2.01 0.00 0.00 34.83 33.46 2wfl s MET 113 CO -0.00 -0.54 0.44 -1.64 -0.01 0.00 0.00 175.02 173.27 2wfl s MET 114 N 1.50 4.09 0.57 2.03 1.00 -1.26 -4.51 119.30 122.72 2wfl s MET 114 Ca 0.67 0.21 -0.19 0.00 0.00 0.00 0.00 55.69 56.38 2wfl s MET 114 Cb -0.38 -3.62 -0.06 0.00 0.00 0.00 0.00 34.83 30.77 2wfl s MET 114 CO 0.30 -0.23 0.86 -2.30 0.00 0.00 0.00 175.02 173.65 2wfl n PRO 115 N 5.14 0.85 -3.93 2.03 -0.02 -1.26 -4.98 135.00 132.82 2wfl n PRO 115 Ca -0.07 0.33 -0.35 0.00 -2.02 0.00 0.00 63.50 61.39 2wfl n PRO 115 Cb 0.50 -2.04 -0.14 0.00 -0.02 0.00 0.00 33.50 31.81 2wfl n PRO 115 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2wfl s ASP 116 N -1.18 4.75 0.00 2.55 -1.08 -1.26 -4.97 116.67 115.47 2wfl s ASP 116 Ca 0.73 -1.20 0.06 0.00 -0.52 0.00 0.00 52.55 51.62 2wfl s ASP 116 Cb -0.44 -1.69 0.26 0.00 -1.46 0.00 0.00 42.92 39.59 2wfl s ASP 116 CO 0.50 -0.23 1.17 -0.81 0.52 0.00 0.00 175.17 176.32 2wfl n PRO 117 N 4.62 0.01 0.06 4.34 -0.04 -1.26 -1.36 135.00 141.37 2wfl n PRO 117 Ca -0.14 0.37 0.13 0.00 -0.04 0.00 0.00 63.50 63.83 2wfl n PRO 117 Cb 0.44 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 32.90 2wfl n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2wfl n ASN 118 N -1.47 0.42 -4.34 3.54 3.02 -1.26 -4.59 115.26 110.58 2wfl n ASN 118 Ca 0.02 0.54 -0.17 0.00 -0.03 0.00 0.00 54.58 54.94 2wfl n ASN 118 Cb 0.07 -0.66 -0.10 0.00 -0.61 0.00 0.00 39.78 38.48 2wfl n ASN 118 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2wfl s HIS 119 N -3.06 1.59 1.00 3.10 3.76 -0.46 -5.14 115.29 116.08 2wfl s HIS 119 Ca 0.12 -0.93 -0.13 0.00 -0.15 0.00 0.00 55.06 53.96 2wfl s HIS 119 Cb 0.15 -0.93 0.10 0.00 1.11 0.00 0.00 32.58 33.01 2wfl s HIS 119 CO 0.54 -0.04 0.57 -1.13 -0.85 0.00 0.00 174.74 173.83 2wfl n SER 120 N -0.44 -1.56 0.23 1.40 3.41 -1.26 -4.65 113.62 110.76 2wfl n SER 120 Ca -0.05 0.21 0.06 0.00 -0.26 0.00 0.00 58.87 58.83 2wfl n SER 120 Cb 0.64 -1.23 0.54 0.00 -0.26 0.00 0.00 64.21 63.90 2wfl n SER 120 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2wfl h LEU 121 N -1.87 0.00 0.00 1.04 3.38 -1.83 -2.33 115.31 113.70 2wfl h LEU 121 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2wfl h LEU 121 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2wfl h LEU 121 CO 0.38 0.14 -0.22 0.35 0.09 0.00 0.00 178.44 179.18 2wfl n THR 122 N -4.37 0.26 -0.24 0.22 -2.24 -1.26 -4.22 114.28 102.43 2wfl n THR 122 Ca -0.03 -0.14 0.02 0.00 -2.27 0.00 0.00 64.05 61.63 2wfl n THR 122 Cb 0.21 -0.32 0.14 0.00 -2.10 0.00 0.00 70.33 68.26 2wfl n THR 122 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 2wfl h TYR 123 N 0.00 0.53 0.00 4.78 3.20 -1.76 0.33 116.97 124.06 2wfl h TYR 123 Ca 0.00 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 2wfl h TYR 123 Cb 0.62 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.76 2wfl h TYR 123 CO 0.00 0.15 -0.15 -1.35 -1.64 0.00 0.00 178.16 175.17 2wfl h PRO 124 N 0.50 0.00 0.11 1.82 0.11 -1.79 -0.24 132.00 132.52 2wfl h PRO 124 Ca 0.36 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 66.28 2wfl h PRO 124 Cb 0.44 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.57 2wfl h PRO 124 CO -0.32 0.15 -0.80 0.74 -0.21 0.00 0.00 178.00 177.56 2wfl h PHE 125 N 0.00 0.59 -0.45 0.65 0.04 -0.94 -0.00 116.94 116.83 2wfl h PHE 125 Ca -0.00 -0.40 0.08 0.00 2.80 0.00 0.00 57.97 60.45 2wfl h PHE 125 Cb 0.51 -0.04 -0.07 0.00 2.20 0.00 0.00 35.95 38.55 2wfl h PHE 125 CO 0.00 1.28 0.04 0.93 -0.60 0.00 0.00 178.31 179.96 2wfl h GLU 126 N -0.27 0.15 0.41 1.51 5.08 -0.22 0.97 114.58 122.22 2wfl h GLU 126 Ca -0.13 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 2wfl h GLU 126 Cb 1.59 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.80 2wfl h GLU 126 CO 0.15 0.10 -0.27 0.87 -1.00 0.00 0.00 179.01 178.87 2wfl h LYS 127 N 0.16 -0.63 -0.64 2.33 6.56 -1.08 -2.47 116.57 120.80 2wfl h LYS 127 Ca 0.22 0.04 0.14 0.00 -1.06 0.00 0.00 60.65 59.99 2wfl h LYS 127 Cb 0.31 0.14 -0.11 0.00 -0.57 0.00 0.00 32.23 32.00 2wfl h LYS 127 CO -0.33 -0.42 0.03 -0.92 -2.06 0.00 0.00 179.45 175.74 2wfl h TYR 128 N -0.65 0.01 -0.28 -1.35 5.03 -0.66 -0.65 116.97 118.41 2wfl h TYR 128 Ca -0.04 0.05 -0.00 0.00 2.58 0.00 0.00 58.73 61.31 2wfl h TYR 128 Cb 0.54 0.10 -0.00 0.00 1.55 0.00 0.00 36.73 38.92 2wfl h TYR 128 CO -0.11 -0.16 0.00 0.27 -1.32 0.00 0.00 178.16 176.85 2wfl n ASN 129 N -5.26 3.28 -0.06 -2.11 0.23 0.31 -1.96 115.26 109.69 2wfl n ASN 129 Ca 0.10 -2.45 -0.07 0.00 -0.53 0.00 0.00 54.58 51.63 2wfl n ASN 129 Cb 0.38 -0.59 -0.06 0.00 -2.08 0.00 0.00 39.78 37.43 2wfl n ASN 129 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2wfl n GLU 130 N 0.30 0.58 0.03 -3.83 1.02 -0.36 -4.70 120.64 113.67 2wfl n GLU 130 Ca 0.13 0.06 0.13 0.00 -0.02 0.00 0.00 57.16 57.46 2wfl n GLU 130 Cb 0.71 -1.23 0.33 0.00 -0.02 0.00 0.00 31.44 31.23 2wfl n GLU 130 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2wfl n LYS 131 N -2.77 0.12 -5.21 3.49 3.00 -0.55 -4.89 118.16 111.36 2wfl n LYS 131 Ca -0.20 0.06 -0.30 0.00 -0.00 0.00 0.00 58.31 57.87 2wfl n LYS 131 Cb 0.73 -1.60 -0.16 0.00 0.00 0.00 0.00 35.03 34.00 2wfl n LYS 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wfl s PRO 133 N -0.48 2.17 0.32 0.00 0.04 -1.26 -4.79 135.00 131.00 2wfl s PRO 133 Ca 0.07 1.71 0.25 0.00 0.04 0.00 0.00 61.00 63.07 2wfl s PRO 133 Cb -0.10 -1.84 1.10 0.00 0.04 0.00 0.00 34.50 33.70 2wfl s PRO 133 CO -0.00 -1.80 1.76 0.00 0.04 0.00 0.00 177.00 177.01 2wfl h ALA 134 N -0.32 1.00 -0.40 8.56 0.00 -1.99 -2.75 119.26 123.35 2wfl h ALA 134 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2wfl h ALA 134 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2wfl h ALA 134 CO 0.50 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.35 2wfl n ASP 135 N -2.39 3.37 0.17 0.00 5.68 -1.26 -4.69 116.55 117.43 2wfl n ASP 135 Ca 0.01 -2.21 0.18 0.00 -0.50 0.00 0.00 54.79 52.28 2wfl n ASP 135 Cb 0.21 -0.34 0.80 0.00 -1.14 0.00 0.00 41.12 40.65 2wfl n ASP 135 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 2wfl h MET 136 N 2.42 0.00 -0.39 0.11 4.05 -1.86 -2.31 114.93 116.95 2wfl h MET 136 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2wfl h MET 136 Cb 0.95 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.75 2wfl h MET 136 CO 0.06 0.00 0.00 -1.33 0.23 0.00 0.00 176.91 175.87 2wfl n MET 137 N -3.68 2.38 0.00 0.39 2.81 -1.26 -4.98 117.12 112.79 2wfl n MET 137 Ca 0.04 -2.10 0.00 0.00 -1.81 0.00 0.00 57.70 53.83 2wfl n MET 137 Cb 0.45 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 2wfl n MET 137 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2wfl n LEU 138 N 1.29 0.00 -0.51 4.03 4.77 -0.87 -1.03 117.00 124.68 2wfl n LEU 138 Ca 0.19 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.22 2wfl n LEU 138 Cb 0.55 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.81 2wfl n LEU 138 CO 0.15 0.00 0.63 -0.90 -1.33 0.00 0.00 177.39 175.94 2wfl n ASP 139 N 9.12 1.47 -4.74 -1.43 5.75 -1.26 -4.89 116.55 120.58 2wfl n ASP 139 Ca 0.00 -1.95 -0.31 0.00 -0.01 0.00 0.00 54.79 52.52 2wfl n ASP 139 Cb 0.00 -0.17 0.11 0.00 -1.03 0.00 0.00 41.12 40.03 2wfl n ASP 139 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2wfl s SER 140 N -1.08 4.08 0.02 -1.12 0.01 -0.19 -4.22 113.70 111.20 2wfl s SER 140 Ca 0.20 1.81 -0.01 0.00 1.31 0.00 0.00 55.95 59.26 2wfl s SER 140 Cb 0.11 -2.47 -0.01 0.00 0.21 0.00 0.00 66.02 63.85 2wfl s SER 140 CO 0.14 -2.30 0.00 -1.10 0.41 0.00 0.00 173.24 170.40 2wfl s GLN 141 N -4.87 0.33 0.03 12.44 -0.21 -0.73 -4.85 119.66 121.80 2wfl s GLN 141 Ca 0.62 -0.53 0.08 0.00 0.02 0.00 0.00 55.36 55.55 2wfl s GLN 141 Cb -0.18 0.12 -0.03 0.00 1.00 0.00 0.00 33.01 33.93 2wfl s GLN 141 CO 0.57 -0.06 -0.23 -0.06 -2.12 0.00 0.00 175.29 173.39 2wfl s PHE 142 N -1.36 2.03 -0.01 0.91 0.40 -1.26 -1.27 117.98 117.42 2wfl s PHE 142 Ca -0.15 -0.39 -0.13 0.00 -0.60 0.00 0.00 56.93 55.66 2wfl s PHE 142 Cb -0.09 -1.23 0.02 0.00 0.51 0.00 0.00 43.02 42.23 2wfl s PHE 142 CO -0.00 0.08 0.27 -1.54 0.70 0.00 0.00 175.22 174.73 2wfl s SER 143 N -1.08 -0.14 0.58 1.36 1.04 -0.57 -5.00 113.70 109.90 2wfl s SER 143 Ca 0.09 -0.00 -0.11 0.00 0.48 0.00 0.00 55.95 56.41 2wfl s SER 143 Cb -0.09 0.29 -0.05 0.00 0.10 0.00 0.00 66.02 66.27 2wfl s SER 143 CO 0.01 -0.44 0.99 0.42 0.98 0.00 0.00 173.24 175.20 2wfl s THR 144 N -1.43 4.71 0.33 2.02 -4.23 -1.26 0.44 115.64 116.23 2wfl s THR 144 Ca -0.13 0.83 -0.13 0.00 -1.18 0.00 0.00 61.69 61.08 2wfl s THR 144 Cb -0.05 -3.85 0.03 0.00 1.34 0.00 0.00 72.50 69.97 2wfl s THR 144 CO 0.03 -1.04 0.66 -0.72 -0.54 0.00 0.00 174.62 173.02 2wfl s TYR 145 N -3.03 0.30 0.00 3.99 -0.85 0.07 -4.81 117.35 113.01 2wfl s TYR 145 Ca 0.54 -0.79 0.00 0.00 -0.52 0.00 0.00 57.07 56.31 2wfl s TYR 145 Cb -0.11 0.52 0.00 0.00 0.38 0.00 0.00 41.96 42.75 2wfl s TYR 145 CO 0.49 -1.33 0.00 0.41 -1.52 0.00 0.00 175.55 173.61 2wfl n GLY 146 N -0.50 -0.26 3.64 5.49 0.00 -1.26 0.53 105.19 112.83 2wfl n GLY 146 Ca -0.04 -1.22 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 2wfl n GLY 146 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wfl s ASN 147 N -4.00 6.52 0.58 1.61 3.04 -1.26 -4.83 114.94 116.61 2wfl s ASN 147 Ca 0.00 1.79 0.28 0.00 0.04 0.00 0.00 52.86 54.97 2wfl s ASN 147 Cb 0.00 -2.53 1.60 0.00 -1.54 0.00 0.00 41.25 38.77 2wfl s ASN 147 CO 0.00 -1.12 2.05 -0.65 -3.04 0.00 0.00 177.10 174.35 2wfl h PRO 148 N 10.14 0.00 0.00 0.43 0.11 -1.97 0.41 132.00 141.11 2wfl h PRO 148 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2wfl h PRO 148 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2wfl h PRO 148 CO 0.99 0.00 -0.11 -1.91 -0.21 0.00 0.00 178.00 176.76 2wfl n GLU 149 N -3.83 0.02 -2.73 1.05 2.13 -1.26 -4.33 120.64 111.68 2wfl n GLU 149 Ca 0.03 0.01 -0.07 0.00 0.66 0.00 0.00 57.16 57.79 2wfl n GLU 149 Cb 0.41 -1.52 0.06 0.00 0.27 0.00 0.00 31.44 30.66 2wfl n GLU 149 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2wfl n ASN 150 N -1.55 -2.55 -4.78 4.31 5.15 0.11 -5.15 115.26 110.80 2wfl n ASN 150 Ca 0.07 -2.97 -0.36 0.00 -0.60 0.00 0.00 54.58 50.71 2wfl n ASN 150 Cb 0.34 1.59 -0.03 0.00 -0.53 0.00 0.00 39.78 41.16 2wfl n ASN 150 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2wfl s PRO 151 N 0.57 3.92 0.77 1.20 0.04 0.48 -4.04 135.00 137.93 2wfl s PRO 151 Ca 0.31 1.55 -0.10 0.00 0.04 0.00 0.00 61.00 62.79 2wfl s PRO 151 Cb 0.22 -2.36 0.07 0.00 0.04 0.00 0.00 34.50 32.47 2wfl s PRO 151 CO -0.21 -0.36 1.12 0.20 0.04 0.00 0.00 177.00 177.78 2wfl s GLY 152 N -1.63 1.62 -0.16 0.56 0.00 0.19 -4.85 107.32 103.05 2wfl s GLY 152 Ca 0.63 -0.73 0.01 0.00 0.00 0.00 0.00 44.72 44.63 2wfl s GLY 152 CO 0.27 -0.27 -0.17 -0.29 0.00 0.00 0.00 173.10 172.64 2wfl s MET 153 N -5.45 2.61 0.31 2.90 1.75 -1.26 -0.75 119.30 119.39 2wfl s MET 153 Ca 0.61 -0.69 0.06 0.00 -1.25 0.00 0.00 55.69 54.43 2wfl s MET 153 Cb -0.11 -2.32 -0.02 0.00 2.84 0.00 0.00 34.83 35.22 2wfl s MET 153 CO 0.48 -0.23 0.40 -1.54 -0.65 0.00 0.00 175.02 173.48 2wfl s SER 154 N 1.40 5.94 0.01 1.11 1.04 0.17 -4.19 113.70 119.18 2wfl s SER 154 Ca 0.05 -0.17 -0.04 0.00 0.48 0.00 0.00 55.95 56.27 2wfl s SER 154 Cb -0.13 -1.36 -0.01 0.00 0.10 0.00 0.00 66.02 64.62 2wfl s SER 154 CO -0.12 -0.31 0.07 0.00 0.98 0.00 0.00 173.24 173.86 2wfl s MET 155 N -4.08 0.43 -0.04 4.02 0.23 0.24 -1.51 119.30 118.57 2wfl s MET 155 Ca 0.41 -0.52 0.06 0.00 -1.03 0.00 0.00 55.69 54.60 2wfl s MET 155 Cb -0.09 0.17 -0.01 0.00 -1.53 0.00 0.00 34.83 33.37 2wfl s MET 155 CO 0.30 -0.09 -0.21 0.96 -2.03 0.00 0.00 175.02 173.94 2wfl s ILE 156 N -1.54 1.76 0.22 3.16 -4.36 -0.40 -0.27 121.20 119.77 2wfl s ILE 156 Ca -0.14 -0.91 -0.30 0.00 -0.26 0.00 0.00 60.65 59.04 2wfl s ILE 156 Cb -0.08 -1.49 -0.08 0.00 1.25 0.00 0.00 42.46 42.06 2wfl s ILE 156 CO -0.00 0.50 1.12 -0.76 0.24 0.00 0.00 174.94 176.03 2wfl s LEU 157 N -0.15 4.51 0.42 0.37 1.43 -1.26 -1.78 118.68 122.22 2wfl s LEU 157 Ca -0.02 2.19 -0.16 0.00 -1.03 0.00 0.00 54.13 55.11 2wfl s LEU 157 Cb -0.12 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.40 2wfl s LEU 157 CO 0.02 -0.21 0.86 -0.83 0.23 0.00 0.00 176.35 176.42 2wfl s GLY 158 N -0.39 2.18 0.33 -3.19 0.00 -1.26 -4.82 107.32 100.18 2wfl s GLY 158 Ca 0.48 0.11 0.11 0.00 0.00 0.00 0.00 44.72 45.41 2wfl s GLY 158 CO 0.38 0.35 1.75 -0.56 0.00 0.00 0.00 173.10 175.01 2wfl h PRO 159 N 1.58 0.06 -0.33 2.90 0.13 -1.96 0.10 132.00 134.49 2wfl h PRO 159 Ca -0.48 -0.03 -0.16 0.00 -0.87 0.00 0.00 66.00 64.46 2wfl h PRO 159 Cb 1.18 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2wfl h PRO 159 CO 0.63 0.49 -0.42 1.96 -0.23 0.00 0.00 178.00 180.43 2wfl h GLN 160 N 0.05 0.86 0.07 0.86 1.08 -1.94 0.59 115.11 116.69 2wfl h GLN 160 Ca 0.00 -0.49 -0.00 0.00 -1.45 0.00 0.00 58.65 56.71 2wfl h GLN 160 Cb 0.79 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.25 2wfl h GLN 160 CO 0.06 1.13 -0.04 0.35 -0.95 0.00 0.00 178.83 179.38 2wfl h PHE 161 N 0.65 -0.09 -0.10 2.96 3.57 -1.75 0.13 116.94 122.32 2wfl h PHE 161 Ca 0.04 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.58 2wfl h PHE 161 Cb 1.01 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.73 2wfl h PHE 161 CO 0.07 -0.06 -0.24 0.52 -2.23 0.00 0.00 178.31 176.37 2wfl h MET 162 N -0.10 -0.31 -0.68 1.11 2.86 -0.76 0.29 114.93 117.33 2wfl h MET 162 Ca -0.01 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 2wfl h MET 162 Cb 0.08 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 2wfl h MET 162 CO 0.02 -0.21 0.38 0.00 1.06 0.00 0.00 176.91 178.16 2wfl h ALA 163 N 0.60 0.88 0.04 6.32 0.00 -0.60 0.12 119.26 126.62 2wfl h ALA 163 Ca 0.09 -0.11 -0.35 0.00 0.00 0.00 0.00 54.91 54.54 2wfl h ALA 163 Cb 0.46 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 2wfl h ALA 163 CO -0.28 0.39 -2.12 1.28 0.00 0.00 0.00 179.25 178.52 2wfl n LEU 164 N -4.51 1.74 -0.00 0.00 4.77 0.44 -2.77 117.00 116.67 2wfl n LEU 164 Ca 0.06 0.14 0.05 0.00 -0.03 0.00 0.00 56.01 56.22 2wfl n LEU 164 Cb 0.09 -0.42 -0.07 0.00 -2.33 0.00 0.00 43.42 40.69 2wfl n LEU 164 CO 0.37 0.69 -0.36 0.29 -1.33 0.00 0.00 177.39 177.05 2wfl n LYS 165 N -3.17 1.79 -0.03 3.23 4.76 0.99 -4.53 118.16 121.19 2wfl n LYS 165 Ca -0.32 -0.05 -0.05 0.00 -2.87 0.00 0.00 58.31 55.02 2wfl n LYS 165 Cb 1.06 -1.13 -0.02 0.00 -1.84 0.00 0.00 35.03 33.09 2wfl n LYS 165 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2wfl n MET 166 N -1.59 0.14 -0.19 1.97 2.81 -0.76 -2.33 117.12 117.17 2wfl n MET 166 Ca -0.00 0.04 0.08 0.00 -1.81 0.00 0.00 57.70 56.01 2wfl n MET 166 Cb 0.22 -0.99 0.17 0.00 -0.71 0.00 0.00 33.22 31.91 2wfl n MET 166 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2wfl n PHE 167 N -2.86 0.34 0.27 2.03 3.72 0.35 -2.93 117.46 118.38 2wfl n PHE 167 Ca -0.11 -0.88 0.16 0.00 -0.05 0.00 0.00 57.45 56.57 2wfl n PHE 167 Cb 0.60 -0.19 0.79 0.00 -0.94 0.00 0.00 39.48 39.74 2wfl n PHE 167 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 2wfl h GLN 168 N 0.72 0.00 -0.24 -1.08 -0.00 -1.71 -0.33 115.11 112.47 2wfl h GLN 168 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2wfl h GLN 168 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.56 2wfl h GLN 168 CO 0.07 0.00 0.00 0.09 -0.00 0.00 0.00 178.83 178.99 2wfl n ASN 169 N -2.61 2.77 -4.95 0.06 3.02 -1.26 -4.98 115.26 107.31 2wfl n ASN 169 Ca -0.01 -1.81 -0.23 0.00 -0.03 0.00 0.00 54.58 52.49 2wfl n ASN 169 Cb 0.10 -0.15 0.02 0.00 -0.61 0.00 0.00 39.78 39.14 2wfl n ASN 169 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wfl s SER 171 N -4.26 3.80 0.33 0.00 1.04 -1.26 -4.88 113.70 108.47 2wfl s SER 171 Ca 0.51 2.02 0.04 0.00 0.48 0.00 0.00 55.95 58.99 2wfl s SER 171 Cb -0.10 -2.55 0.60 0.00 0.10 0.00 0.00 66.02 64.07 2wfl s SER 171 CO 0.39 -2.51 1.87 -0.37 0.98 0.00 0.00 173.24 173.60 2wfl h VAL 172 N -1.39 1.20 -0.51 5.02 -1.51 -1.98 -2.00 116.25 115.08 2wfl h VAL 172 Ca -0.44 -0.78 0.04 0.00 -1.23 0.00 0.00 66.70 64.29 2wfl h VAL 172 Cb 1.25 0.93 -0.04 0.00 -2.13 0.00 0.00 31.29 31.30 2wfl h VAL 172 CO 0.47 0.27 0.27 -0.33 -1.23 0.00 0.00 177.57 177.01 2wfl h GLU 173 N 0.51 0.51 -0.63 5.19 3.07 -1.98 0.57 114.58 121.82 2wfl h GLU 173 Ca 0.11 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.36 58.85 2wfl h GLU 173 Cb 0.33 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.10 2wfl h GLU 173 CO 0.01 0.33 0.05 -0.44 -1.40 0.00 0.00 179.01 177.56 2wfl h ASP 174 N 0.52 1.04 -0.66 1.42 3.32 -1.75 -0.79 116.42 119.52 2wfl h ASP 174 Ca 0.22 -0.27 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 2wfl h ASP 174 Cb 0.11 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 2wfl h ASP 174 CO -0.14 1.06 0.31 0.25 -1.72 0.00 0.00 179.24 179.00 2wfl h LEU 175 N 0.99 0.86 -0.70 1.55 5.85 -1.06 -0.60 115.31 122.20 2wfl h LEU 175 Ca 0.19 -0.14 0.08 0.00 0.84 0.00 0.00 57.88 58.85 2wfl h LEU 175 Cb 0.50 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 2wfl h LEU 175 CO 0.02 0.76 0.37 -0.08 -0.34 0.00 0.00 178.44 179.17 2wfl h GLU 176 N 0.91 0.64 -0.51 1.25 4.57 0.53 0.14 114.58 122.11 2wfl h GLU 176 Ca 0.22 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.31 2wfl h GLU 176 Cb 0.13 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 2wfl h GLU 176 CO -0.03 0.42 0.09 1.25 -1.18 0.00 0.00 179.01 179.56 2wfl h LEU 177 N 0.66 0.80 -0.64 1.64 5.85 -0.77 -0.15 115.31 122.70 2wfl h LEU 177 Ca 0.33 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2wfl h LEU 177 Cb 0.29 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 2wfl h LEU 177 CO -0.23 0.85 0.37 0.00 -0.34 0.00 0.00 178.44 179.10 2wfl h ALA 178 N 0.98 0.82 -0.31 1.25 0.00 -0.29 -0.18 119.26 121.53 2wfl h ALA 178 Ca 0.15 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2wfl h ALA 178 Cb 0.39 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2wfl h ALA 178 CO 0.01 0.32 0.05 0.87 0.00 0.00 0.00 179.25 180.49 2wfl h LYS 179 N 0.88 0.45 0.00 0.00 1.57 -0.12 -0.38 116.57 118.97 2wfl h LYS 179 Ca 0.23 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 2wfl h LYS 179 Cb 0.01 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 2wfl h LYS 179 CO -0.04 0.44 -0.10 0.52 -0.57 0.00 0.00 179.45 179.70 2wfl h MET 180 N 0.44 0.00 0.00 3.15 2.86 -0.21 -3.38 114.93 117.79 2wfl h MET 180 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2wfl h MET 180 Cb 0.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 2wfl h MET 180 CO 0.00 0.10 -0.86 1.28 1.06 0.00 0.00 176.91 178.49 2wfl n LEU 181 N -3.16 0.00 -4.77 1.22 4.77 -0.16 -5.05 117.00 109.85 2wfl n LEU 181 Ca 0.02 -0.06 -0.40 0.00 -0.03 0.00 0.00 56.01 55.54 2wfl n LEU 181 Cb 0.47 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.54 2wfl n LEU 181 CO 0.33 0.00 0.92 0.28 -1.33 0.00 0.00 177.39 177.59 2wfl s THR 182 N -1.85 2.90 0.22 -5.08 -1.32 -0.18 -4.76 115.64 105.56 2wfl s THR 182 Ca 0.00 0.87 0.09 0.00 -1.21 0.00 0.00 61.69 61.44 2wfl s THR 182 Cb 0.00 -3.54 -0.05 0.00 -1.51 0.00 0.00 72.50 67.40 2wfl s THR 182 CO 0.00 0.18 -0.16 -0.13 -2.21 0.00 0.00 174.62 172.30 2wfl s ARG 183 N -1.88 1.39 0.62 7.08 0.52 -1.14 -5.03 118.95 120.53 2wfl s ARG 183 Ca 0.50 -1.62 -0.18 0.00 -0.52 0.00 0.00 55.73 53.92 2wfl s ARG 183 Cb -0.37 -1.25 -0.04 0.00 0.52 0.00 0.00 34.95 33.81 2wfl s ARG 183 CO 0.48 0.21 0.94 -2.30 0.02 0.00 0.00 175.30 174.66 2wfl n PRO 184 N -0.41 0.82 -4.15 3.54 -0.02 -1.26 -4.44 135.00 129.09 2wfl n PRO 184 Ca -0.08 0.32 -0.13 0.00 -2.02 0.00 0.00 63.50 61.60 2wfl n PRO 184 Cb 0.60 -2.16 -0.08 0.00 -0.02 0.00 0.00 33.50 31.84 2wfl n PRO 184 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2wfl s GLY 185 N -1.31 1.35 0.01 -1.23 0.00 0.63 -4.71 107.32 102.07 2wfl s GLY 185 Ca 0.76 -1.54 -0.05 0.00 0.00 0.00 0.00 44.72 43.89 2wfl s GLY 185 CO 0.47 -1.18 0.09 -0.45 0.00 0.00 0.00 173.10 172.02 2wfl s SER 186 N -3.16 0.11 0.00 1.64 0.15 -1.26 0.80 113.70 111.98 2wfl s SER 186 Ca 0.34 -0.35 0.24 0.00 0.70 0.00 0.00 55.95 56.88 2wfl s SER 186 Cb 0.04 0.18 0.24 0.00 -1.71 0.00 0.00 66.02 64.77 2wfl s SER 186 CO 0.14 -0.38 1.28 0.18 1.20 0.00 0.00 173.24 175.67 2wfl n LEU 187 N 1.34 3.09 -2.52 3.45 4.77 -1.26 -4.97 117.00 120.90 2wfl n LEU 187 Ca -0.22 -1.12 -0.16 0.00 -0.03 0.00 0.00 56.01 54.48 2wfl n LEU 187 Cb 0.56 -0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2wfl n LEU 187 CO 0.21 0.55 -0.18 0.49 -1.33 0.00 0.00 177.39 177.14 2wfl n PHE 188 N 1.37 -1.34 -0.22 -1.77 3.72 -1.26 -4.83 117.46 113.13 2wfl n PHE 188 Ca 0.15 0.06 0.01 0.00 -0.05 0.00 0.00 57.45 57.62 2wfl n PHE 188 Cb 0.60 -3.28 0.08 0.00 -0.94 0.00 0.00 39.48 35.94 2wfl n PHE 188 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 2wfl h PHE 189 N -0.14 -0.27 0.00 1.38 3.57 -1.93 0.38 116.94 119.93 2wfl h PHE 189 Ca -0.38 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.17 2wfl h PHE 189 Cb 1.28 0.22 0.00 0.00 2.79 0.00 0.00 35.95 40.24 2wfl h PHE 189 CO 0.64 -0.26 0.00 -0.56 -2.23 0.00 0.00 178.31 175.90 2wfl h GLN 190 N 0.03 0.00 0.20 1.11 -0.00 -1.88 0.40 115.11 114.97 2wfl h GLN 190 Ca 0.33 0.00 -0.28 0.00 -0.00 0.00 0.00 58.65 58.70 2wfl h GLN 190 Cb 0.52 0.00 0.03 0.00 -0.00 0.00 0.00 27.48 28.03 2wfl h GLN 190 CO -0.65 0.00 -1.25 0.22 -0.00 0.00 0.00 178.83 177.15 2wfl h ASP 191 N 0.00 0.67 -0.28 0.06 3.58 -1.38 -3.29 116.42 115.78 2wfl h ASP 191 Ca 0.00 -0.93 -0.00 0.00 0.42 0.00 0.00 57.03 56.52 2wfl h ASP 191 Cb 0.77 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.59 2wfl h ASP 191 CO 0.00 1.60 0.18 -0.07 -2.88 0.00 0.00 179.24 178.06 2wfl h LEU 192 N -0.08 0.34 -2.62 2.28 3.38 0.29 -0.22 115.31 118.69 2wfl h LEU 192 Ca -0.22 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2wfl h LEU 192 Cb 1.95 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.61 2wfl h LEU 192 CO 0.21 0.26 0.00 0.00 0.09 0.00 0.00 178.44 179.01 2wfl h ALA 193 N 1.80 1.00 -0.01 1.53 0.00 -0.29 -2.84 119.26 120.45 2wfl h ALA 193 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2wfl h ALA 193 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2wfl h ALA 193 CO -0.02 0.00 -0.40 1.63 0.00 0.00 0.00 179.25 180.46 2wfl n LYS 194 N -3.00 2.24 -2.17 0.00 5.02 -0.13 -4.94 118.16 115.18 2wfl n LYS 194 Ca -0.02 -0.44 -0.41 0.00 -2.02 0.00 0.00 58.31 55.41 2wfl n LYS 194 Cb 0.10 -1.15 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 2wfl n LYS 194 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wfl s ALA 195 N -1.85 3.55 0.00 7.82 0.00 -0.95 -4.99 121.76 125.34 2wfl s ALA 195 Ca 0.09 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.20 2wfl s ALA 195 Cb 0.10 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.72 2wfl s ALA 195 CO 0.40 -0.58 0.00 1.17 0.00 0.00 0.00 175.76 176.75 2wfl n LYS 196 N 2.57 0.00 -1.69 0.00 3.00 -1.26 -4.67 118.16 116.11 2wfl n LYS 196 Ca 0.06 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.06 2wfl n LYS 196 Cb 0.42 0.00 0.04 0.00 0.00 0.00 0.00 35.03 35.50 2wfl n LYS 196 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 2wfl s LYS 197 N 0.00 2.94 0.78 1.64 -2.85 -1.26 -4.89 119.74 116.10 2wfl s LYS 197 Ca 0.00 1.10 -0.11 0.00 -1.00 0.00 0.00 55.97 55.96 2wfl s LYS 197 Cb 0.00 -1.99 0.06 0.00 -2.06 0.00 0.00 37.83 33.84 2wfl s LYS 197 CO 0.00 -1.11 1.08 -0.06 0.10 0.00 0.00 175.35 175.37 2wfl s PHE 198 N -2.78 2.73 0.18 1.78 0.08 -1.26 -5.05 117.98 113.66 2wfl s PHE 198 Ca 0.61 1.37 0.11 0.00 0.12 0.00 0.00 56.93 59.14 2wfl s PHE 198 Cb -0.16 -3.04 -0.04 0.00 -0.57 0.00 0.00 43.02 39.21 2wfl s PHE 198 CO 0.48 -1.75 -0.20 -1.54 -0.10 0.00 0.00 175.22 172.11 2wfl s SER 199 N -3.62 3.66 0.36 1.36 1.04 -1.26 -4.63 113.70 110.61 2wfl s SER 199 Ca 0.61 -0.76 0.17 0.00 0.48 0.00 0.00 55.95 56.44 2wfl s SER 199 Cb -0.16 -0.39 0.66 0.00 0.10 0.00 0.00 66.02 66.23 2wfl s SER 199 CO 0.56 0.13 1.74 0.71 0.98 0.00 0.00 173.24 177.35 2wfl h THR 200 N 3.18 1.02 -0.78 2.02 1.35 -1.95 -0.89 112.91 116.86 2wfl h THR 200 Ca -0.47 -1.56 -0.03 0.00 -0.55 0.00 0.00 66.41 63.80 2wfl h THR 200 Cb 1.20 1.92 -0.04 0.00 -1.73 0.00 0.00 68.15 69.50 2wfl h THR 200 CO 0.48 0.40 0.38 -0.08 -0.25 0.00 0.00 175.52 176.46 2wfl h GLU 201 N 0.00 1.11 0.00 4.72 4.81 -1.95 -2.66 114.58 120.61 2wfl h GLU 201 Ca -0.00 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2wfl h GLU 201 Cb 0.88 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.06 2wfl h GLU 201 CO 0.05 0.84 0.00 0.54 -0.73 0.00 0.00 179.01 179.72 2wfl n ARG 202 N -4.32 0.00 -0.28 1.92 1.74 -1.08 -4.06 116.66 110.57 2wfl n ARG 202 Ca 0.08 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.26 2wfl n ARG 202 Cb 0.13 -0.14 0.25 0.00 -1.02 0.00 0.00 32.46 31.69 2wfl n ARG 202 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 2wfl h TYR 203 N 0.00 0.42 0.00 -1.55 3.20 -1.43 -1.32 116.97 116.30 2wfl h TYR 203 Ca 0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2wfl h TYR 203 Cb 0.00 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.21 2wfl h TYR 203 CO 0.00 -0.11 0.00 0.41 -1.64 0.00 0.00 178.16 176.82 2wfl n GLY 204 N -1.36 -1.27 0.09 1.82 0.00 -0.40 -2.43 105.19 101.64 2wfl n GLY 204 Ca 0.19 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.25 2wfl n GLY 204 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wfl n SER 205 N -1.48 0.64 -4.69 1.61 3.41 -0.50 -4.82 113.62 107.79 2wfl n SER 205 Ca 0.06 0.58 -0.39 0.00 -0.26 0.00 0.00 58.87 58.86 2wfl n SER 205 Cb 0.26 -0.75 -0.06 0.00 -0.26 0.00 0.00 64.21 63.40 2wfl n SER 205 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2wfl s VAL 206 N -3.13 5.14 0.08 -3.33 1.01 -1.02 -5.00 120.40 114.15 2wfl s VAL 206 Ca 0.10 0.98 -0.35 0.00 0.00 0.00 0.00 61.98 62.71 2wfl s VAL 206 Cb 0.13 -3.84 -0.14 0.00 0.00 0.00 0.00 36.38 32.52 2wfl s VAL 206 CO 0.53 0.24 1.58 1.17 0.00 0.00 0.00 175.10 178.63 2wfl n LYS 207 N 4.26 1.85 -4.38 2.72 4.81 -1.26 -4.84 118.16 121.32 2wfl n LYS 207 Ca -0.05 0.67 -0.34 0.00 -0.87 0.00 0.00 58.31 57.72 2wfl n LYS 207 Cb 0.51 -2.42 -0.10 0.00 0.02 0.00 0.00 35.03 33.05 2wfl n LYS 207 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2wfl s ARG 208 N 1.47 2.86 0.08 1.64 0.52 -1.26 -0.09 118.95 124.17 2wfl s ARG 208 Ca 0.84 -0.51 0.06 0.00 -0.52 0.00 0.00 55.73 55.59 2wfl s ARG 208 Cb -0.77 -2.71 -0.03 0.00 0.52 0.00 0.00 34.95 31.96 2wfl s ARG 208 CO 0.44 0.67 -0.15 0.00 0.02 0.00 0.00 175.30 176.28 2wfl s ALA 209 N -0.95 1.28 -0.08 2.13 0.00 -0.01 -0.48 121.76 123.66 2wfl s ALA 209 Ca 0.16 -1.07 0.04 0.00 0.00 0.00 0.00 51.96 51.09 2wfl s ALA 209 Cb -0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 23.12 22.90 2wfl s ALA 209 CO 0.05 0.18 -0.22 -0.47 0.00 0.00 0.00 175.76 175.30 2wfl s TYR 210 N -1.38 2.25 -0.33 0.00 5.04 -0.19 -0.30 117.35 122.44 2wfl s TYR 210 Ca 0.00 -0.81 -0.08 0.00 -2.44 0.00 0.00 57.07 53.75 2wfl s TYR 210 Cb -0.09 -1.51 0.02 0.00 0.35 0.00 0.00 41.96 40.73 2wfl s TYR 210 CO 0.03 -0.31 0.12 0.42 -1.34 0.00 0.00 175.55 174.46 2wfl s ILE 211 N 0.22 4.04 0.31 3.14 1.01 0.81 -0.31 121.20 130.41 2wfl s ILE 211 Ca -0.12 -0.90 -0.29 0.00 0.00 0.00 0.00 60.65 59.34 2wfl s ILE 211 Cb -0.16 -3.21 -0.10 0.00 0.01 0.00 0.00 42.46 39.01 2wfl s ILE 211 CO 0.06 -0.09 1.15 -0.36 0.00 0.00 0.00 174.94 175.69 2wfl s PHE 212 N 1.48 3.40 -0.32 3.97 0.08 0.63 -3.40 117.98 123.82 2wfl s PHE 212 Ca 0.01 1.62 0.03 0.00 0.12 0.00 0.00 56.93 58.71 2wfl s PHE 212 Cb -0.19 -3.37 0.09 0.00 -0.57 0.00 0.00 43.02 38.99 2wfl s PHE 212 CO 0.04 -0.91 0.03 0.00 -0.10 0.00 0.00 175.22 174.28 2wfl h ASN 214 N 7.74 0.00 -0.42 0.00 4.21 -1.47 -2.70 115.58 122.94 2wfl h ASN 214 Ca -0.09 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.42 2wfl h ASN 214 Cb 1.03 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.23 2wfl h ASN 214 CO 0.50 0.19 0.00 -0.62 -1.29 0.00 0.00 177.43 176.21 2wfl n GLU 215 N -3.38 3.82 -2.15 0.81 1.02 0.55 -4.55 120.64 116.76 2wfl n GLU 215 Ca -0.00 -2.97 -0.42 0.00 -0.02 0.00 0.00 57.16 53.75 2wfl n GLU 215 Cb 0.40 -2.02 -0.03 0.00 -0.02 0.00 0.00 31.44 29.77 2wfl n GLU 215 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2wfl s ASP 216 N -1.37 6.78 0.00 1.62 -1.08 -1.02 -4.39 116.67 117.21 2wfl s ASP 216 Ca 0.48 2.13 0.17 0.00 -0.52 0.00 0.00 52.55 54.81 2wfl s ASP 216 Cb 0.37 -2.55 -0.03 0.00 -1.46 0.00 0.00 42.92 39.25 2wfl s ASP 216 CO 0.13 -0.81 0.87 0.29 0.52 0.00 0.00 175.17 176.17 2wfl n LYS 217 N 6.16 1.60 -0.05 4.34 5.02 -1.24 -3.80 118.16 130.19 2wfl n LYS 217 Ca 0.15 -0.73 -0.17 0.00 -2.02 0.00 0.00 58.31 55.53 2wfl n LYS 217 Cb 0.43 -1.31 -0.14 0.00 -0.02 0.00 0.00 35.03 34.00 2wfl n LYS 217 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2wfl n SER 218 N -0.27 1.65 -3.61 4.39 2.88 -0.99 -4.66 113.62 113.01 2wfl n SER 218 Ca 0.07 0.12 -0.29 0.00 -1.33 0.00 0.00 58.87 57.44 2wfl n SER 218 Cb 0.35 -0.40 -0.12 0.00 -0.75 0.00 0.00 64.21 63.29 2wfl n SER 218 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2wfl s PHE 219 N -2.55 1.77 0.76 0.66 5.36 -1.26 -5.12 117.98 117.60 2wfl s PHE 219 Ca -0.22 -2.40 -0.14 0.00 -0.96 0.00 0.00 56.93 53.21 2wfl s PHE 219 Cb 0.07 -1.58 0.06 0.00 -0.34 0.00 0.00 43.02 41.23 2wfl s PHE 219 CO 0.74 -0.77 1.21 -2.14 -1.46 0.00 0.00 175.22 172.80 2wfl s PRO 220 N 0.12 1.94 0.26 10.12 0.02 -1.25 -4.68 135.00 141.52 2wfl s PRO 220 Ca 0.23 1.77 -0.03 0.00 0.02 0.00 0.00 61.00 62.98 2wfl s PRO 220 Cb -0.13 -1.81 0.32 0.00 0.02 0.00 0.00 34.50 32.90 2wfl s PRO 220 CO -0.08 -1.99 1.81 -0.24 -0.33 0.00 0.00 177.00 176.17 2wfl h VAL 221 N -0.53 1.24 -0.07 3.83 3.04 -1.79 -0.49 116.25 121.46 2wfl h VAL 221 Ca -0.47 -0.82 0.02 0.00 -1.01 0.00 0.00 66.70 64.42 2wfl h VAL 221 Cb 1.30 0.55 -0.00 0.00 -2.01 0.00 0.00 31.29 31.12 2wfl h VAL 221 CO 0.48 0.32 0.06 1.05 -1.01 0.00 0.00 177.57 178.47 2wfl h GLU 222 N 0.93 0.00 0.10 4.17 9.09 -1.94 0.21 114.58 127.14 2wfl h GLU 222 Ca 0.21 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 59.34 2wfl h GLU 222 Cb 0.27 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.36 2wfl h GLU 222 CO -0.01 0.00 -1.36 0.35 0.05 0.00 0.00 179.01 178.04 2wfl h PHE 223 N 0.00 0.40 -0.89 2.06 3.57 -1.46 -2.19 116.94 118.43 2wfl h PHE 223 Ca 0.03 -0.29 0.01 0.00 3.53 0.00 0.00 57.97 61.25 2wfl h PHE 223 Cb 0.15 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 2wfl h PHE 223 CO 0.00 1.28 0.58 1.96 -2.23 0.00 0.00 178.31 179.90 2wfl h GLN 224 N 0.06 1.17 -0.08 1.11 4.20 -0.49 -1.89 115.11 119.20 2wfl h GLN 224 Ca -0.17 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 58.33 2wfl h GLN 224 Cb 1.97 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 29.48 2wfl h GLN 224 CO 0.17 0.78 -0.54 0.87 -0.67 0.00 0.00 178.83 179.44 2wfl h LYS 225 N 1.20 0.22 -0.54 1.46 1.57 -0.63 -1.84 116.57 118.01 2wfl h LYS 225 Ca 0.32 -0.13 -0.11 0.00 -1.87 0.00 0.00 60.65 58.86 2wfl h LYS 225 Cb -0.13 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 2wfl h LYS 225 CO -0.07 0.70 -0.09 2.35 -0.57 0.00 0.00 179.45 181.78 2wfl h TRP 226 N 0.17 1.13 -0.48 -1.35 7.01 -0.96 0.34 115.95 121.81 2wfl h TRP 226 Ca 0.00 -0.23 -0.05 0.00 2.11 0.00 0.00 58.89 60.73 2wfl h TRP 226 Cb 1.01 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 27.77 2wfl h TRP 226 CO 0.02 1.04 0.12 0.74 -2.79 0.00 0.00 178.44 177.57 2wfl h PHE 227 N 0.90 0.81 -0.49 2.65 0.04 -1.06 0.15 116.94 119.94 2wfl h PHE 227 Ca 0.14 -0.10 -0.05 0.00 2.80 0.00 0.00 57.97 60.77 2wfl h PHE 227 Cb 0.65 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.55 2wfl h PHE 227 CO 0.05 0.73 0.10 0.28 -0.60 0.00 0.00 178.31 178.87 2wfl h VAL 228 N 0.66 1.24 -0.09 -0.55 2.07 -1.14 -0.25 116.25 118.20 2wfl h VAL 228 Ca 0.15 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 2wfl h VAL 228 Cb 0.32 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2wfl h VAL 228 CO 0.00 0.31 0.05 -0.33 0.02 0.00 0.00 177.57 177.62 2wfl h GLU 229 N 0.67 0.12 0.00 1.57 5.08 -0.10 0.24 114.58 122.16 2wfl h GLU 229 Ca 0.15 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.31 2wfl h GLU 229 Cb 0.35 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 2wfl h GLU 229 CO 0.00 0.13 -0.98 0.66 -1.00 0.00 0.00 179.01 177.82 2wfl h SER 230 N 0.07 0.00 0.00 1.42 4.64 -0.63 -3.37 113.55 115.69 2wfl h SER 230 Ca 0.03 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.99 2wfl h SER 230 Cb 0.04 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.07 2wfl h SER 230 CO -0.01 0.87 -2.37 0.52 -0.87 0.00 0.00 176.83 174.97 2wfl n VAL 231 N -3.27 1.38 0.00 0.95 0.31 -0.11 -5.08 118.33 112.51 2wfl n VAL 231 Ca -0.02 -0.53 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 2wfl n VAL 231 Cb 0.90 -1.36 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 2wfl n VAL 231 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wfl n GLY 232 N 2.34 0.73 3.15 2.92 0.00 0.84 -5.04 105.19 110.13 2wfl n GLY 232 Ca -0.43 -1.55 -0.11 0.00 0.00 0.00 0.00 46.02 43.93 2wfl n GLY 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wfl s ALA 233 N -2.08 -0.34 0.01 4.61 0.00 -1.26 -4.91 121.76 117.79 2wfl s ALA 233 Ca 0.00 -0.20 0.10 0.00 0.00 0.00 0.00 51.96 51.86 2wfl s ALA 233 Cb 0.00 0.18 -0.09 0.00 0.00 0.00 0.00 23.12 23.21 2wfl s ALA 233 CO 0.00 -0.28 1.35 -0.44 0.00 0.00 0.00 175.76 176.39 2wfl h ASP 234 N 3.87 0.00 -3.93 0.00 5.19 -1.17 -3.45 116.42 116.94 2wfl h ASP 234 Ca -0.31 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 55.89 2wfl h ASP 234 Cb 1.19 0.00 -0.27 0.00 0.18 0.00 0.00 39.33 40.43 2wfl h ASP 234 CO 0.44 0.80 -0.65 -0.54 -3.12 0.00 0.00 179.24 176.17 2wfl s LYS 235 N -2.82 0.10 -0.01 3.56 1.02 -1.18 -5.04 119.74 115.37 2wfl s LYS 235 Ca 0.02 -0.02 0.03 0.00 0.02 0.00 0.00 55.97 56.03 2wfl s LYS 235 Cb 0.09 0.05 -0.01 0.00 -0.52 0.00 0.00 37.83 37.44 2wfl s LYS 235 CO 0.79 -0.02 -0.11 0.14 -0.92 0.00 0.00 175.35 175.23 2wfl s VAL 236 N -0.18 0.90 0.18 3.17 -7.23 -1.26 -1.02 120.40 114.96 2wfl s VAL 236 Ca -0.02 -0.49 0.07 0.00 -1.81 0.00 0.00 61.98 59.73 2wfl s VAL 236 Cb -0.02 -0.76 -0.04 0.00 0.56 0.00 0.00 36.38 36.12 2wfl s VAL 236 CO 0.00 0.26 -0.14 -0.54 -0.31 0.00 0.00 175.10 174.36 2wfl s LYS 237 N -0.25 1.23 0.04 4.82 -0.14 0.57 -4.94 119.74 121.08 2wfl s LYS 237 Ca 0.04 -1.48 0.06 0.00 -1.36 0.00 0.00 55.97 53.23 2wfl s LYS 237 Cb -0.05 -1.05 -0.02 0.00 -1.68 0.00 0.00 37.83 35.03 2wfl s LYS 237 CO -0.00 0.18 -0.17 -1.83 -0.76 0.00 0.00 175.35 172.77 2wfl s GLU 238 N -3.36 1.11 -0.32 1.68 -1.05 -1.26 -0.27 118.70 115.23 2wfl s GLU 238 Ca 0.18 -0.84 0.03 0.00 -0.15 0.00 0.00 54.97 54.19 2wfl s GLU 238 Cb -0.02 -1.17 0.09 0.00 -0.44 0.00 0.00 34.13 32.59 2wfl s GLU 238 CO 0.05 0.29 0.02 0.42 0.95 0.00 0.00 175.26 176.99 2wfl s ILE 239 N -0.85 2.39 0.30 1.83 1.01 0.59 -4.92 121.20 121.55 2wfl s ILE 239 Ca 0.04 -2.06 0.02 0.00 0.00 0.00 0.00 60.65 58.65 2wfl s ILE 239 Cb -0.08 -2.63 0.29 0.00 0.01 0.00 0.00 42.46 40.04 2wfl s ILE 239 CO 0.02 -0.42 1.86 0.11 0.00 0.00 0.00 174.94 176.51 2wfl h LYS 240 N 7.72 0.95 -0.22 2.79 1.57 -1.98 -2.58 116.57 124.82 2wfl h LYS 240 Ca -0.10 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.54 2wfl h LYS 240 Cb 1.03 -0.21 -0.05 0.00 0.08 0.00 0.00 32.23 33.08 2wfl h LYS 240 CO 0.52 0.63 -0.09 0.39 -0.57 0.00 0.00 179.45 180.32 2wfl n GLU 241 N -4.56 2.02 -2.82 3.15 1.02 -1.26 -3.86 120.64 114.32 2wfl n GLU 241 Ca 0.17 -3.00 -0.40 0.00 -0.02 0.00 0.00 57.16 53.90 2wfl n GLU 241 Cb 0.32 -1.75 -0.05 0.00 -0.02 0.00 0.00 31.44 29.94 2wfl n GLU 241 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wfl s ALA 242 N -3.07 3.32 0.58 0.62 0.00 -1.10 -4.82 121.76 117.30 2wfl s ALA 242 Ca 0.41 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.86 2wfl s ALA 242 Cb 0.36 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 20.32 2wfl s ALA 242 CO 0.02 0.08 0.00 -0.40 0.00 0.00 0.00 175.76 175.46 2wfl n ASP 243 N 2.42 0.00 0.16 0.00 5.68 -1.26 -0.33 116.55 123.22 2wfl n ASP 243 Ca -0.01 -0.35 0.17 0.00 -0.50 0.00 0.00 54.79 54.10 2wfl n ASP 243 Cb 0.49 0.00 0.77 0.00 -1.14 0.00 0.00 41.12 41.24 2wfl n ASP 243 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 2wfl h HIS 244 N -0.21 0.00 -2.55 2.11 -0.00 -1.76 -3.17 115.15 109.58 2wfl h HIS 244 Ca 0.00 0.00 -0.73 0.00 -0.00 0.00 0.00 60.37 59.64 2wfl h HIS 244 Cb 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 27.41 27.08 2wfl h HIS 244 CO 0.00 0.00 0.34 -1.33 -0.00 0.00 0.00 177.93 176.94 2wfl n MET 245 N -4.05 4.05 0.20 5.26 2.81 -1.15 -4.84 117.12 119.40 2wfl n MET 245 Ca 0.03 -4.64 0.05 0.00 -1.81 0.00 0.00 57.70 51.33 2wfl n MET 245 Cb 0.37 -2.41 0.43 0.00 -0.71 0.00 0.00 33.22 30.89 2wfl n MET 245 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2wfl h GLY 246 N 4.64 0.00 2.00 3.03 0.00 -1.90 0.24 103.07 111.08 2wfl h GLY 246 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2wfl h GLY 246 CO 1.13 0.00 0.00 1.15 0.00 0.00 0.00 176.54 178.82 2wfl n MET 247 N -3.96 0.10 -0.04 4.80 0.00 -1.26 -0.32 117.12 116.44 2wfl n MET 247 Ca -0.02 0.35 -0.05 0.00 0.00 0.00 0.00 57.70 57.98 2wfl n MET 247 Cb 0.38 -1.69 -0.06 0.00 0.00 0.00 0.00 33.22 31.85 2wfl n MET 247 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2wfl n LEU 248 N -1.88 0.67 0.06 3.17 4.77 0.28 -3.94 117.00 120.13 2wfl n LEU 248 Ca 0.03 -0.01 -0.14 0.00 -0.03 0.00 0.00 56.01 55.86 2wfl n LEU 248 Cb 0.19 0.07 -0.14 0.00 -2.33 0.00 0.00 43.42 41.22 2wfl n LEU 248 CO 0.16 0.30 -0.23 0.77 -1.33 0.00 0.00 177.39 177.06 2wfl h SER 249 N 0.00 0.27 -1.76 -1.43 4.64 -0.66 -3.41 113.55 111.20 2wfl h SER 249 Ca -0.21 -0.36 -0.48 0.00 -0.47 0.00 0.00 61.79 60.27 2wfl h SER 249 Cb 1.45 -0.09 -0.40 0.00 -0.31 0.00 0.00 62.40 63.05 2wfl h SER 249 CO 0.00 1.30 -1.08 0.00 -0.87 0.00 0.00 176.83 176.18 2wfl n GLN 250 N -3.39 1.55 -0.28 4.77 1.13 0.56 -4.92 117.38 116.80 2wfl n GLN 250 Ca -0.12 -3.67 -0.03 0.00 -1.94 0.00 0.00 57.00 51.24 2wfl n GLN 250 Cb 1.02 -1.72 0.13 0.00 0.11 0.00 0.00 30.24 29.78 2wfl n GLN 250 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 2wfl h PRO 251 N 2.97 1.15 -0.78 -1.09 0.13 -1.66 -0.75 132.00 131.96 2wfl h PRO 251 Ca 0.07 -0.15 -0.05 0.00 -0.87 0.00 0.00 66.00 65.01 2wfl h PRO 251 Cb 0.94 -0.22 -0.03 0.00 0.13 0.00 0.00 31.00 31.82 2wfl h PRO 251 CO 0.58 0.86 0.31 0.00 -0.23 0.00 0.00 178.00 179.51 2wfl h ARG 252 N 1.15 1.17 -0.51 0.86 3.08 -1.90 -2.85 114.38 115.38 2wfl h ARG 252 Ca 0.28 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 60.05 2wfl h ARG 252 Cb 0.07 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 2wfl h ARG 252 CO -0.04 0.95 0.04 0.93 -1.07 0.00 0.00 179.97 180.79 2wfl h GLU 253 N 1.14 0.86 -1.07 0.04 4.39 -1.69 0.11 114.58 118.37 2wfl h GLU 253 Ca 0.26 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2wfl h GLU 253 Cb 0.22 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2wfl h GLU 253 CO -0.02 0.87 0.00 0.28 -1.16 0.00 0.00 179.01 178.98 2wfl n VAL 254 N -4.36 0.05 0.00 3.13 0.31 -0.38 -0.16 118.33 116.92 2wfl n VAL 254 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2wfl n VAL 254 Cb 0.29 -0.31 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 2wfl n VAL 254 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2wfl n LYS 256 N 0.73 0.00 -0.20 5.55 5.02 0.38 -0.92 118.16 128.71 2wfl n LYS 256 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 2wfl n LYS 256 Cb 0.03 0.00 0.15 0.00 -0.02 0.00 0.00 35.03 35.19 2wfl n LYS 256 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wfl h LEU 258 N 0.96 -0.05 -1.31 0.00 5.85 -1.26 0.78 115.31 120.28 2wfl h LEU 258 Ca 0.22 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 2wfl h LEU 258 Cb 0.23 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 2wfl h LEU 258 CO -0.01 0.40 0.33 -0.07 -0.34 0.00 0.00 178.44 178.75 2wfl h LEU 259 N -0.50 0.71 0.49 2.25 3.38 -1.79 0.34 115.31 120.18 2wfl h LEU 259 Ca -0.01 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2wfl h LEU 259 Cb 0.46 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2wfl h LEU 259 CO 0.01 0.56 -0.23 0.44 0.09 0.00 0.00 178.44 179.31 2wfl h ASP 260 N 0.81 -0.55 -0.86 -0.43 5.19 -0.67 -0.58 116.42 119.33 2wfl h ASP 260 Ca 0.21 -0.04 0.07 0.00 -0.62 0.00 0.00 57.03 56.65 2wfl h ASP 260 Cb 0.01 0.14 -0.06 0.00 0.18 0.00 0.00 39.33 39.60 2wfl h ASP 260 CO -0.04 -0.30 0.56 0.40 -3.12 0.00 0.00 179.24 176.74 2wfl h ILE 261 N -0.78 1.05 0.00 0.35 2.04 -0.60 -2.93 117.51 116.63 2wfl h ILE 261 Ca -0.07 -0.33 -0.12 0.00 1.00 0.00 0.00 64.86 65.35 2wfl h ILE 261 Cb 0.56 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 2wfl h ILE 261 CO 0.11 0.17 -0.94 0.77 0.00 0.00 0.00 178.15 178.26 2wfl h SER 262 N 0.95 0.00 -0.02 1.72 4.64 -0.75 -3.50 113.55 116.58 2wfl h SER 262 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 2wfl h SER 262 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2wfl h SER 262 CO -0.14 0.46 0.00 0.47 -0.87 0.00 0.00 176.83 176.76