#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wpq n SER 3 N 0.00 0.63 -4.66 0.00 3.41 -1.26 -4.97 113.62 106.77 1wpq n SER 3 Ca 0.00 0.66 -0.35 0.00 -0.26 0.00 0.00 58.87 58.92 1wpq n SER 3 Cb 0.00 -1.43 -0.09 0.00 -0.26 0.00 0.00 64.21 62.43 1wpq n SER 3 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1wpq s LYS 4 N -3.47 4.04 0.16 4.33 -0.14 -0.37 -4.72 119.74 119.58 1wpq s LYS 4 Ca 0.74 -0.30 -0.26 0.00 -1.36 0.00 0.00 55.97 54.79 1wpq s LYS 4 Cb -0.34 -3.34 -0.08 0.00 -1.68 0.00 0.00 37.83 32.39 1wpq s LYS 4 CO 0.50 0.22 0.80 0.15 -0.76 0.00 0.00 175.35 176.26 1wpq s LYS 5 N 0.56 4.60 0.03 1.68 1.02 -1.26 -1.42 119.74 124.96 1wpq s LYS 5 Ca 0.06 1.20 0.06 0.00 0.02 0.00 0.00 55.97 57.31 1wpq s LYS 5 Cb -0.12 -3.28 -0.03 0.00 -0.52 0.00 0.00 37.83 33.88 1wpq s LYS 5 CO 0.01 0.53 -0.16 0.08 -0.92 0.00 0.00 175.35 174.89 1wpq s VAL 6 N -1.03 2.95 -0.08 3.17 1.01 -1.26 -0.45 120.40 124.71 1wpq s VAL 6 Ca 0.37 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1wpq s VAL 6 Cb -0.23 -2.25 0.02 0.00 0.00 0.00 0.00 36.38 33.91 1wpq s VAL 6 CO 0.27 0.35 -0.10 0.00 0.00 0.00 0.00 175.10 175.62 1wpq s ILE 8 N 1.01 5.24 -0.82 0.00 1.01 0.16 -1.44 121.20 126.36 1wpq s ILE 8 Ca -0.08 -0.52 -0.20 0.00 0.00 0.00 0.00 60.65 59.85 1wpq s ILE 8 Cb -0.15 -3.84 0.11 0.00 0.01 0.00 0.00 42.46 38.59 1wpq s ILE 8 CO -0.00 -0.21 1.03 -0.69 0.00 0.00 0.00 174.94 175.07 1wpq s VAL 9 N 1.69 4.66 0.00 2.92 1.01 -0.01 -0.59 120.40 130.07 1wpq s VAL 9 Ca 0.05 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 60.82 1wpq s VAL 9 Cb -0.18 -4.71 0.00 0.00 0.00 0.00 0.00 36.38 31.48 1wpq s VAL 9 CO 0.10 -1.44 0.00 0.61 0.00 0.00 0.00 175.10 174.37 1wpq n GLY 10 N 5.38 4.35 1.55 4.51 0.00 -1.14 -0.98 105.19 118.86 1wpq n GLY 10 Ca 0.13 -1.43 -0.03 0.00 0.00 0.00 0.00 46.02 44.69 1wpq n GLY 10 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wpq n SER 11 N 0.00 -0.30 -2.70 1.61 3.41 -1.26 -4.55 113.62 109.83 1wpq n SER 11 Ca 0.00 -2.03 0.00 0.00 -0.26 0.00 0.00 58.87 56.58 1wpq n SER 11 Cb 0.00 0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1wpq n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wpq n GLY 12 N -0.15 0.75 0.40 5.00 0.00 -1.26 -4.23 105.19 105.71 1wpq n GLY 12 Ca -0.14 -1.56 -0.16 0.00 0.00 0.00 0.00 46.02 44.16 1wpq n GLY 12 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1wpq h ASN 13 N 0.00 -1.02 -0.13 1.61 -0.00 -1.98 0.22 115.58 114.28 1wpq h ASN 13 Ca 0.00 0.08 -0.19 0.00 -0.00 0.00 0.00 56.30 56.19 1wpq h ASN 13 Cb 0.00 0.33 0.01 0.00 -0.00 0.00 0.00 38.32 38.66 1wpq h ASN 13 CO 0.00 -0.54 -0.67 -0.25 -0.00 0.00 0.00 177.43 175.97 1wpq h TRP 14 N -0.81 0.92 -0.98 0.67 -0.00 -1.93 -2.97 115.95 110.85 1wpq h TRP 14 Ca -0.04 -0.41 0.09 0.00 -0.00 0.00 0.00 58.89 58.53 1wpq h TRP 14 Cb 0.71 -0.14 -0.07 0.00 -0.00 0.00 0.00 29.16 29.66 1wpq h TRP 14 CO -0.19 1.22 0.63 0.78 -0.00 0.00 0.00 178.44 180.88 1wpq h GLY 15 N 0.36 1.52 1.15 2.65 0.00 -1.80 0.35 103.07 107.30 1wpq h GLY 15 Ca -0.05 -0.44 -0.19 0.00 0.00 0.00 0.00 47.33 46.65 1wpq h GLY 15 CO 0.14 0.25 -0.58 1.76 0.00 0.00 0.00 176.54 178.11 1wpq h SER 16 N 1.06 0.97 -0.07 0.19 0.02 -0.58 -2.09 113.55 113.05 1wpq h SER 16 Ca 0.45 -0.55 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1wpq h SER 16 Cb 0.33 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 1wpq h SER 16 CO -0.21 1.35 0.02 0.00 -1.14 0.00 0.00 176.83 176.85 1wpq h ALA 17 N 0.66 0.09 -0.76 3.77 0.00 -1.25 -2.20 119.26 119.57 1wpq h ALA 17 Ca 0.00 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 54.95 1wpq h ALA 17 Cb 1.20 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 1wpq h ALA 17 CO 0.13 -0.30 0.51 0.82 0.00 0.00 0.00 179.25 180.40 1wpq h ILE 18 N -0.07 0.80 -0.71 0.00 1.08 -0.95 0.11 117.51 117.77 1wpq h ILE 18 Ca 0.02 -0.15 -0.05 0.00 -0.39 0.00 0.00 64.86 64.30 1wpq h ILE 18 Cb 0.20 0.33 -0.03 0.00 -3.07 0.00 0.00 36.82 34.25 1wpq h ILE 18 CO -0.00 0.08 0.26 0.00 -0.69 0.00 0.00 178.15 177.79 1wpq h ALA 19 N 1.64 1.11 0.20 1.87 0.00 -0.77 0.46 119.26 123.77 1wpq h ALA 19 Ca 0.37 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1wpq h ALA 19 Cb 0.84 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1wpq h ALA 19 CO -0.12 0.62 -0.10 0.87 0.00 0.00 0.00 179.25 180.52 1wpq h LYS 20 N 1.04 -0.26 0.01 0.00 1.57 -0.37 0.94 116.57 119.50 1wpq h LYS 20 Ca 0.24 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1wpq h LYS 20 Cb 0.24 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1wpq h LYS 20 CO -0.01 -0.07 -0.01 0.82 -0.57 0.00 0.00 179.45 179.61 1wpq h ILE 21 N -0.41 1.05 -0.36 1.86 2.04 -1.17 -0.18 117.51 120.35 1wpq h ILE 21 Ca -0.03 -0.18 -0.13 0.00 1.00 0.00 0.00 64.86 65.52 1wpq h ILE 21 Cb 0.31 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1wpq h ILE 21 CO 0.05 0.05 -0.29 0.58 0.00 0.00 0.00 178.15 178.53 1wpq h VAL 22 N -0.09 1.28 -0.59 1.67 2.07 -0.09 -2.40 116.25 118.10 1wpq h VAL 22 Ca -0.00 -1.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.06 1wpq h VAL 22 Cb 0.09 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1wpq h VAL 22 CO 0.00 0.47 0.25 1.23 0.02 0.00 0.00 177.57 179.55 1wpq h GLY 23 N 0.95 0.93 0.73 2.17 0.00 0.11 -2.05 103.07 105.91 1wpq h GLY 23 Ca 0.08 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 1wpq h GLY 23 CO 0.07 0.46 -0.03 -1.33 0.00 0.00 0.00 176.54 175.71 1wpq h GLY 24 N 0.80 -0.08 1.82 4.60 0.00 -0.90 -2.75 103.07 106.57 1wpq h GLY 24 Ca 0.20 0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.49 1wpq h GLY 24 CO -0.02 -0.03 -0.24 3.43 0.00 0.00 0.00 176.54 179.68 1wpq h ASN 25 N -0.34 0.21 -0.48 0.19 -0.26 -1.45 -1.70 115.58 111.75 1wpq h ASN 25 Ca -0.01 -0.06 -0.09 0.00 -0.56 0.00 0.00 56.30 55.58 1wpq h ASN 25 Cb 0.31 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.49 1wpq h ASN 25 CO 0.01 0.46 -0.02 0.00 -1.06 0.00 0.00 177.43 176.82 1wpq h ALA 26 N 1.56 0.96 -0.07 -0.83 0.00 -1.35 0.40 119.26 119.93 1wpq h ALA 26 Ca 0.03 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.48 1wpq h ALA 26 Cb 0.54 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1wpq h ALA 26 CO 0.04 0.63 -0.68 0.00 0.00 0.00 0.00 179.25 179.23 1wpq h ALA 27 N 1.12 0.70 0.00 0.00 0.00 -1.16 -3.31 119.26 116.61 1wpq h ALA 27 Ca 0.15 -0.59 -0.15 0.00 0.00 0.00 0.00 54.91 54.32 1wpq h ALA 27 Cb 0.53 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1wpq h ALA 27 CO 0.03 0.76 -1.16 0.37 0.00 0.00 0.00 179.25 179.25 1wpq h GLN 28 N 0.22 0.00 -5.50 0.00 4.15 -1.02 -3.47 115.11 109.49 1wpq h GLN 28 Ca -0.02 0.00 -0.64 0.00 0.77 0.00 0.00 58.65 58.76 1wpq h GLN 28 Cb 1.23 0.00 -0.18 0.00 0.21 0.00 0.00 27.48 28.75 1wpq h GLN 28 CO 0.11 0.35 -0.62 -0.51 -1.93 0.00 0.00 178.83 176.23 1wpq s LEU 29 N -5.96 3.53 0.21 -2.39 1.43 0.14 -5.03 118.68 110.61 1wpq s LEU 29 Ca -0.01 0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 53.01 1wpq s LEU 29 Cb 0.08 -1.85 0.15 0.00 0.03 0.00 0.00 46.19 44.60 1wpq s LEU 29 CO 0.79 0.24 1.88 0.00 0.23 0.00 0.00 176.35 179.49 1wpq h ALA 30 N 6.22 0.92 0.00 4.21 0.00 -1.87 -2.81 119.26 125.93 1wpq h ALA 30 Ca -0.39 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1wpq h ALA 30 Cb 1.18 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1wpq h ALA 30 CO 0.63 0.34 0.00 0.00 0.00 0.00 0.00 179.25 180.21 1wpq n GLN 31 N -4.58 0.05 -5.07 0.00 0.00 -1.26 -4.54 117.38 101.98 1wpq n GLN 31 Ca 0.07 0.28 -0.30 0.00 0.00 0.00 0.00 57.00 57.05 1wpq n GLN 31 Cb 0.02 -1.50 -0.17 0.00 0.00 0.00 0.00 30.24 28.59 1wpq n GLN 31 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1wpq s PHE 32 N -2.67 2.28 0.15 2.61 0.40 -1.06 -1.24 117.98 118.45 1wpq s PHE 32 Ca 0.04 -0.90 -0.31 0.00 -0.60 0.00 0.00 56.93 55.16 1wpq s PHE 32 Cb 0.03 -1.54 -0.10 0.00 0.51 0.00 0.00 43.02 41.92 1wpq s PHE 32 CO 0.08 -0.37 1.55 0.34 0.70 0.00 0.00 175.22 177.53 1wpq s ASP 33 N 0.37 6.62 0.45 1.36 -1.08 -0.51 -4.74 116.67 119.14 1wpq s ASP 33 Ca -0.17 2.57 0.17 0.00 -0.52 0.00 0.00 52.55 54.61 1wpq s ASP 33 Cb -0.17 -2.59 1.12 0.00 -1.46 0.00 0.00 42.92 39.82 1wpq s ASP 33 CO 0.07 -0.81 1.96 1.55 0.52 0.00 0.00 175.17 178.47 1wpq h PRO 34 N 6.91 0.31 -6.43 4.34 0.13 -1.90 -3.40 132.00 131.96 1wpq h PRO 34 Ca -0.43 -0.02 -0.56 0.00 -0.87 0.00 0.00 66.00 64.12 1wpq h PRO 34 Cb 1.20 -0.07 -0.05 0.00 0.13 0.00 0.00 31.00 32.22 1wpq h PRO 34 CO 0.91 0.21 1.14 0.50 -0.23 0.00 0.00 178.00 180.53 1wpq s ARG 35 N -5.31 3.44 -0.34 0.86 3.52 -1.26 -4.67 118.95 115.18 1wpq s ARG 35 Ca -0.07 0.99 -0.07 0.00 -0.13 0.00 0.00 55.73 56.45 1wpq s ARG 35 Cb 0.20 -4.10 0.04 0.00 -1.56 0.00 0.00 34.95 29.53 1wpq s ARG 35 CO 0.75 -1.73 0.12 0.08 -0.81 0.00 0.00 175.30 173.70 1wpq s VAL 36 N 6.03 3.90 0.29 7.11 1.01 -0.75 -4.39 120.40 133.60 1wpq s VAL 36 Ca 0.65 -1.07 -0.19 0.00 0.00 0.00 0.00 61.98 61.37 1wpq s VAL 36 Cb -0.15 -3.19 -0.09 0.00 0.00 0.00 0.00 36.38 32.94 1wpq s VAL 36 CO 0.32 -0.17 0.79 0.42 0.00 0.00 0.00 175.10 176.45 1wpq s THR 37 N 1.43 4.53 -0.14 3.92 -4.23 -1.03 -0.53 115.64 119.59 1wpq s THR 37 Ca -0.01 1.28 -0.03 0.00 -1.18 0.00 0.00 61.69 61.76 1wpq s THR 37 Cb -0.19 -3.77 0.05 0.00 1.34 0.00 0.00 72.50 69.92 1wpq s THR 37 CO 0.03 0.01 0.04 -0.32 -0.54 0.00 0.00 174.62 173.85 1wpq s MET 38 N -2.44 0.46 0.03 3.99 1.75 -0.28 0.36 119.30 123.17 1wpq s MET 38 Ca 0.50 -0.13 -0.30 0.00 -1.25 0.00 0.00 55.69 54.50 1wpq s MET 38 Cb -0.14 -1.58 -0.06 0.00 2.84 0.00 0.00 34.83 35.88 1wpq s MET 38 CO 0.19 -0.52 1.45 -0.46 -0.65 0.00 0.00 175.02 175.03 1wpq s TRP 39 N 1.97 2.83 -0.21 4.11 -0.00 0.24 -1.10 118.94 126.79 1wpq s TRP 39 Ca 0.02 0.75 0.01 0.00 -0.00 0.00 0.00 56.10 56.88 1wpq s TRP 39 Cb -0.15 -3.72 0.04 0.00 -0.00 0.00 0.00 33.47 29.64 1wpq s TRP 39 CO -0.07 -2.70 -0.13 0.08 -0.00 0.00 0.00 176.95 174.13 1wpq s VAL 40 N 2.25 1.87 -0.23 5.86 1.01 -0.81 -2.86 120.40 127.48 1wpq s VAL 40 Ca 0.66 -1.12 -0.28 0.00 0.00 0.00 0.00 61.98 61.24 1wpq s VAL 40 Cb -0.34 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 1wpq s VAL 40 CO 0.28 0.24 2.21 0.12 0.00 0.00 0.00 175.10 177.95 1wpq s PHE 41 N 1.30 1.18 0.30 5.22 2.19 -1.26 -4.27 117.98 122.64 1wpq s PHE 41 Ca -0.01 0.57 -0.29 0.00 0.33 0.00 0.00 56.93 57.53 1wpq s PHE 41 Cb -0.16 -3.92 -0.13 0.00 -1.31 0.00 0.00 43.02 37.49 1wpq s PHE 41 CO -0.09 -4.01 1.21 -1.91 1.83 0.00 0.00 175.22 172.25 1wpq n GLU 42 N 8.77 1.81 -4.00 10.12 4.07 -1.26 -4.97 120.64 135.19 1wpq n GLU 42 Ca 0.30 0.64 -0.10 0.00 -0.06 0.00 0.00 57.16 57.93 1wpq n GLU 42 Cb 0.45 -2.16 -0.11 0.00 -0.06 0.00 0.00 31.44 29.56 1wpq n GLU 42 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1wpq s GLU 43 N -1.46 0.34 -0.53 5.31 2.02 -1.26 -4.99 118.70 118.13 1wpq s GLU 43 Ca 0.59 -0.60 -0.18 0.00 0.02 0.00 0.00 54.97 54.81 1wpq s GLU 43 Cb -0.64 -0.00 0.09 0.00 0.10 0.00 0.00 34.13 33.68 1wpq s GLU 43 CO 0.59 -0.02 0.57 0.34 0.02 0.00 0.00 175.26 176.76 1wpq s ASP 44 N -1.37 6.19 -0.94 -0.19 -1.08 -1.26 -1.06 116.67 116.96 1wpq s ASP 44 Ca -0.13 -1.37 -0.13 0.00 -0.52 0.00 0.00 52.55 50.40 1wpq s ASP 44 Cb -0.09 -2.25 0.22 0.00 -1.46 0.00 0.00 42.92 39.33 1wpq s ASP 44 CO -0.01 -0.91 0.95 -0.63 0.52 0.00 0.00 175.17 175.10 1wpq s ILE 45 N 2.21 5.56 -1.14 4.11 -1.09 0.50 -4.64 121.20 126.71 1wpq s ILE 45 Ca 0.09 -2.61 -0.08 0.00 -2.23 0.00 0.00 60.65 55.82 1wpq s ILE 45 Cb -0.24 -4.57 -0.03 0.00 -1.58 0.00 0.00 42.46 36.03 1wpq s ILE 45 CO 0.07 -1.17 0.86 0.61 -1.23 0.00 0.00 174.94 174.07 1wpq n GLY 46 N 3.86 -0.84 3.17 6.18 0.00 -1.26 -2.45 105.19 113.84 1wpq n GLY 46 Ca 0.19 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1wpq n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wpq n GLY 47 N -1.39 2.98 3.78 -0.02 0.00 -1.26 -5.00 105.19 104.27 1wpq n GLY 47 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 1wpq n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wpq s LYS 48 N -0.17 3.19 0.30 1.61 1.02 -1.03 -5.08 119.74 119.59 1wpq s LYS 48 Ca 0.00 -0.30 -0.29 0.00 0.02 0.00 0.00 55.97 55.41 1wpq s LYS 48 Cb 0.00 -2.97 -0.10 0.00 -0.52 0.00 0.00 37.83 34.24 1wpq s LYS 48 CO 0.00 0.73 1.13 0.15 -0.92 0.00 0.00 175.35 176.44 1wpq s LYS 49 N -1.05 4.53 0.12 1.68 1.02 -1.26 -0.37 119.74 124.40 1wpq s LYS 49 Ca 0.15 1.84 -0.18 0.00 0.02 0.00 0.00 55.97 57.81 1wpq s LYS 49 Cb -0.12 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.06 1wpq s LYS 49 CO 0.04 0.10 1.67 1.25 -0.92 0.00 0.00 175.35 177.49 1wpq h LEU 50 N 3.58 0.42 -1.29 3.17 5.85 -1.47 -1.65 115.31 123.93 1wpq h LEU 50 Ca -0.47 -0.16 0.14 0.00 0.84 0.00 0.00 57.88 58.24 1wpq h LEU 50 Cb 1.22 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.07 1wpq h LEU 50 CO 0.66 0.46 0.57 0.71 -0.34 0.00 0.00 178.44 180.50 1wpq h THR 51 N 0.35 0.83 -0.41 1.05 1.35 -1.92 0.19 112.91 114.36 1wpq h THR 51 Ca 0.10 -0.24 -0.15 0.00 -0.55 0.00 0.00 66.41 65.57 1wpq h THR 51 Cb 0.17 0.08 -0.01 0.00 -1.73 0.00 0.00 68.15 66.66 1wpq h THR 51 CO -0.01 0.13 -0.35 -0.08 -0.25 0.00 0.00 175.52 174.95 1wpq h GLU 52 N 0.69 0.95 -0.22 4.72 4.81 -1.81 -1.63 114.58 122.10 1wpq h GLU 52 Ca 0.45 -0.48 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1wpq h GLU 52 Cb 0.73 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 1wpq h GLU 52 CO -0.21 1.14 0.09 0.82 -0.73 0.00 0.00 179.01 180.13 1wpq h ILE 53 N 0.79 1.16 -0.23 2.32 1.08 0.09 -1.66 117.51 121.05 1wpq h ILE 53 Ca 0.07 -0.47 0.00 0.00 -0.39 0.00 0.00 64.86 64.07 1wpq h ILE 53 Cb 0.95 1.07 -0.01 0.00 -3.07 0.00 0.00 36.82 35.75 1wpq h ILE 53 CO 0.09 0.16 0.15 0.40 -0.69 0.00 0.00 178.15 178.25 1wpq h ILE 54 N 0.21 1.05 0.00 -0.67 2.04 -0.67 0.58 117.51 120.05 1wpq h ILE 54 Ca 0.07 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1wpq h ILE 54 Cb 0.16 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1wpq h ILE 54 CO -0.01 0.05 0.00 0.78 0.00 0.00 0.00 178.15 178.98 1wpq h ASN 55 N 0.30 0.00 0.00 1.72 2.35 -1.25 0.21 115.58 118.90 1wpq h ASN 55 Ca 0.08 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.53 1wpq h ASN 55 Cb -0.03 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.30 1wpq h ASN 55 CO -0.02 0.00 -1.95 0.41 -1.65 0.00 0.00 177.43 174.22 1wpq n THR 56 N -2.56 1.52 0.81 2.81 -1.04 -0.63 -4.57 114.28 110.62 1wpq n THR 56 Ca 0.02 -0.19 0.12 0.00 -2.04 0.00 0.00 64.05 61.96 1wpq n THR 56 Cb 0.29 -2.04 0.28 0.00 -1.82 0.00 0.00 70.33 67.05 1wpq n THR 56 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wpq n GLN 57 N -4.34 0.13 -3.69 -2.82 1.13 0.20 -4.97 117.38 103.01 1wpq n GLN 57 Ca -0.40 0.05 -0.25 0.00 -1.94 0.00 0.00 57.00 54.46 1wpq n GLN 57 Cb 0.75 -1.59 0.03 0.00 0.11 0.00 0.00 30.24 29.54 1wpq n GLN 57 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1wpq n HIS 58 N -1.78 -1.92 -3.59 1.08 8.25 0.73 -4.89 115.22 113.10 1wpq n HIS 58 Ca 0.05 0.70 -0.12 0.00 -0.26 0.00 0.00 57.72 58.09 1wpq n HIS 58 Cb 0.38 -3.94 -0.06 0.00 1.12 0.00 0.00 29.99 27.49 1wpq n HIS 58 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1wpq s GLU 59 N -5.92 0.69 -0.51 -0.41 -1.05 -1.25 -0.70 118.70 109.55 1wpq s GLU 59 Ca 0.20 0.39 0.07 0.00 -0.15 0.00 0.00 54.97 55.48 1wpq s GLU 59 Cb -0.06 0.33 0.36 0.00 -0.44 0.00 0.00 34.13 34.32 1wpq s GLU 59 CO 0.83 -0.17 0.95 -1.71 0.95 0.00 0.00 175.26 176.11 1wpq n ASN 60 N 1.41 3.83 -0.34 0.83 4.05 -1.26 -4.23 115.26 119.55 1wpq n ASN 60 Ca -0.13 -3.54 0.24 0.00 0.45 0.00 0.00 54.58 51.60 1wpq n ASN 60 Cb 0.57 -0.55 0.48 0.00 1.23 0.00 0.00 39.78 41.51 1wpq n ASN 60 CO 0.00 0.00 0.00 -0.37 -3.05 0.00 0.00 177.26 173.84 1wpq h VAL 61 N 2.60 0.31 -0.96 3.44 -1.51 -1.85 0.27 116.25 118.54 1wpq h VAL 61 Ca 0.15 -0.11 0.19 0.00 -1.23 0.00 0.00 66.70 65.70 1wpq h VAL 61 Cb 0.69 -0.05 -0.09 0.00 -2.13 0.00 0.00 31.29 29.71 1wpq h VAL 61 CO 0.76 0.06 0.61 0.50 -1.23 0.00 0.00 177.57 178.27 1wpq h LYS 62 N 0.33 0.60 0.00 5.19 3.64 -1.98 -2.57 116.57 121.77 1wpq h LYS 62 Ca 0.73 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 60.03 1wpq h LYS 62 Cb 1.69 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.36 1wpq h LYS 62 CO -0.59 0.39 -1.58 0.66 -2.27 0.00 0.00 179.45 176.07 1wpq n TYR 63 N -4.64 0.00 -3.30 1.91 4.02 -0.29 -4.80 117.16 110.07 1wpq n TYR 63 Ca 0.21 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.85 1wpq n TYR 63 Cb 0.63 -0.33 -0.09 0.00 -0.02 0.00 0.00 39.34 39.53 1wpq n TYR 63 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 1wpq n LEU 64 N -2.01 -0.15 -4.71 7.72 7.94 -0.07 -3.94 117.00 121.78 1wpq n LEU 64 Ca -0.06 -4.53 -0.40 0.00 -1.11 0.00 0.00 56.01 49.91 1wpq n LEU 64 Cb 0.42 0.58 0.02 0.00 0.53 0.00 0.00 43.42 44.97 1wpq n LEU 64 CO 0.24 1.96 0.90 -2.65 -1.11 0.00 0.00 177.39 176.73 1wpq n PRO 65 N 2.14 1.90 -2.11 1.96 -0.02 -0.98 -3.63 135.00 134.26 1wpq n PRO 65 Ca 0.26 0.68 -0.14 0.00 -2.02 0.00 0.00 63.50 62.27 1wpq n PRO 65 Cb 0.50 -2.42 -0.02 0.00 -0.02 0.00 0.00 33.50 31.54 1wpq n PRO 65 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wpq n GLY 66 N 0.80 0.10 3.11 -1.23 0.00 -1.26 -5.02 105.19 101.69 1wpq n GLY 66 Ca 0.07 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 1wpq n GLY 66 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wpq s HIS 67 N -2.68 0.13 0.27 1.61 3.76 -1.24 -5.10 115.29 112.04 1wpq s HIS 67 Ca 0.00 -0.34 0.07 0.00 -0.15 0.00 0.00 55.06 54.64 1wpq s HIS 67 Cb 0.00 -0.10 -0.03 0.00 1.11 0.00 0.00 32.58 33.56 1wpq s HIS 67 CO 0.00 -0.33 0.21 0.15 -0.85 0.00 0.00 174.74 173.92 1wpq s LYS 68 N -2.05 2.87 0.05 1.40 -0.14 -1.26 -4.46 119.74 116.15 1wpq s LYS 68 Ca -0.10 -1.11 0.05 0.00 -1.36 0.00 0.00 55.97 53.45 1wpq s LYS 68 Cb -0.04 -2.53 -0.04 0.00 -1.68 0.00 0.00 37.83 33.54 1wpq s LYS 68 CO -0.02 0.34 -0.09 -0.51 -0.76 0.00 0.00 175.35 174.31 1wpq s LEU 69 N -3.87 3.08 0.26 3.17 1.43 0.12 -4.91 118.68 117.96 1wpq s LEU 69 Ca 0.34 -0.27 -0.31 0.00 -1.03 0.00 0.00 54.13 52.87 1wpq s LEU 69 Cb -0.07 -1.82 -0.13 0.00 0.03 0.00 0.00 46.19 44.20 1wpq s LEU 69 CO 0.25 0.23 1.48 -2.65 0.23 0.00 0.00 176.35 175.89 1wpq n PRO 70 N 1.16 2.29 -0.16 1.29 -0.02 -1.26 -4.76 135.00 133.54 1wpq n PRO 70 Ca -0.14 0.81 0.27 0.00 -2.02 0.00 0.00 63.50 62.42 1wpq n PRO 70 Cb 0.52 -2.52 0.71 0.00 -0.02 0.00 0.00 33.50 32.19 1wpq n PRO 70 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1wpq h PRO 71 N 4.45 0.02 0.00 0.52 0.11 -1.97 -0.39 132.00 134.75 1wpq h PRO 71 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1wpq h PRO 71 Cb 1.26 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1wpq h PRO 71 CO 0.77 0.01 0.00 0.27 -0.21 0.00 0.00 178.00 178.85 1wpq n ASN 72 N -4.29 0.00 -4.56 -2.05 6.94 -1.26 -4.57 115.26 105.46 1wpq n ASN 72 Ca 0.18 -0.05 -0.42 0.00 -0.02 0.00 0.00 54.58 54.26 1wpq n ASN 72 Cb 0.91 -0.29 -0.05 0.00 -2.36 0.00 0.00 39.78 37.99 1wpq n ASN 72 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1wpq s VAL 73 N -2.57 4.71 -0.21 3.53 1.01 -0.16 -1.81 120.40 124.91 1wpq s VAL 73 Ca 0.22 0.65 -0.08 0.00 0.00 0.00 0.00 61.98 62.78 1wpq s VAL 73 Cb 0.16 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1wpq s VAL 73 CO 0.36 -0.55 0.09 0.54 0.00 0.00 0.00 175.10 175.54 1wpq s VAL 74 N 3.15 4.86 -0.17 2.92 0.11 0.31 -4.91 120.40 126.68 1wpq s VAL 74 Ca 0.30 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.06 1wpq s VAL 74 Cb -0.13 -3.22 -0.00 0.00 -1.53 0.00 0.00 36.38 31.49 1wpq s VAL 74 CO 0.19 0.41 1.10 0.00 -3.33 0.00 0.00 175.10 173.47 1wpq s ALA 75 N 0.72 3.61 -0.23 1.54 0.00 -1.26 -1.13 121.76 125.01 1wpq s ALA 75 Ca 0.05 0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.35 1wpq s ALA 75 Cb -0.13 -3.54 0.05 0.00 0.00 0.00 0.00 23.12 19.50 1wpq s ALA 75 CO 0.02 -0.96 -0.13 0.08 0.00 0.00 0.00 175.76 174.77 1wpq s VAL 76 N 2.92 2.00 0.47 0.00 1.01 -0.26 -4.93 120.40 121.62 1wpq s VAL 76 Ca 0.48 -1.31 0.22 0.00 0.00 0.00 0.00 61.98 61.38 1wpq s VAL 76 Cb -0.18 -2.03 0.26 0.00 0.00 0.00 0.00 36.38 34.43 1wpq s VAL 76 CO 0.12 0.16 2.08 1.55 0.00 0.00 0.00 175.10 179.01 1wpq h PRO 77 N 7.87 0.00 -4.73 2.72 0.13 -1.85 -2.17 132.00 133.97 1wpq h PRO 77 Ca -0.28 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.17 1wpq h PRO 77 Cb 1.08 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.02 1wpq h PRO 77 CO 0.51 0.11 -0.43 0.34 -0.23 0.00 0.00 178.00 178.30 1wpq s ASP 78 N -6.53 6.09 0.40 1.44 -1.08 -1.26 -4.65 116.67 111.08 1wpq s ASP 78 Ca -0.04 -0.47 0.09 0.00 -0.52 0.00 0.00 52.55 51.62 1wpq s ASP 78 Cb 0.15 -2.15 0.87 0.00 -1.46 0.00 0.00 42.92 40.33 1wpq s ASP 78 CO 0.62 -0.29 1.97 1.62 0.52 0.00 0.00 175.17 179.61 1wpq h VAL 79 N 5.53 0.97 -0.34 1.11 3.04 -1.95 -1.52 116.25 123.09 1wpq h VAL 79 Ca -0.30 -0.20 -0.04 0.00 -1.01 0.00 0.00 66.70 65.15 1wpq h VAL 79 Cb 1.15 0.33 -0.01 0.00 -2.01 0.00 0.00 31.29 30.74 1wpq h VAL 79 CO 0.66 0.11 0.06 0.58 -1.01 0.00 0.00 177.57 177.97 1wpq h VAL 80 N 0.59 1.23 -0.61 1.51 2.07 -1.93 -1.52 116.25 117.58 1wpq h VAL 80 Ca 0.29 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 1wpq h VAL 80 Cb 0.35 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1wpq h VAL 80 CO -0.09 0.27 0.20 1.56 0.02 0.00 0.00 177.57 179.53 1wpq h GLN 81 N 0.39 0.92 -0.20 1.57 4.20 -1.73 0.13 115.11 120.39 1wpq h GLN 81 Ca 0.10 -0.17 -0.17 0.00 0.06 0.00 0.00 58.65 58.47 1wpq h GLN 81 Cb 0.34 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 1wpq h GLN 81 CO 0.00 0.78 -0.58 0.00 -0.67 0.00 0.00 178.83 178.37 1wpq h ALA 82 N 1.33 0.61 0.00 3.87 0.00 -1.18 -3.32 119.26 120.57 1wpq h ALA 82 Ca 0.20 -0.53 -0.17 0.00 0.00 0.00 0.00 54.91 54.42 1wpq h ALA 82 Cb 0.24 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1wpq h ALA 82 CO -0.01 0.69 -1.35 0.00 0.00 0.00 0.00 179.25 178.59 1wpq h ALA 83 N 0.87 0.65 -0.49 0.00 0.00 -1.14 -3.43 119.26 115.73 1wpq h ALA 83 Ca 0.00 -0.83 0.05 0.00 0.00 0.00 0.00 54.91 54.14 1wpq h ALA 83 Cb 1.14 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 19.12 1wpq h ALA 83 CO 0.11 0.91 -0.26 0.39 0.00 0.00 0.00 179.25 180.40 1wpq n GLU 84 N -2.92 -0.19 -0.21 0.00 1.02 0.45 -0.44 120.64 118.35 1wpq n GLU 84 Ca -0.09 0.75 0.11 0.00 -0.02 0.00 0.00 57.16 57.91 1wpq n GLU 84 Cb 0.84 -1.10 0.26 0.00 -0.02 0.00 0.00 31.44 31.41 1wpq n GLU 84 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1wpq n ASP 85 N -4.65 3.21 -4.77 1.62 8.00 -1.26 -3.92 116.55 114.78 1wpq n ASP 85 Ca 0.02 -1.96 -0.40 0.00 0.71 0.00 0.00 54.79 53.17 1wpq n ASP 85 Cb 0.15 -0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 40.94 1wpq n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wpq s ALA 86 N -1.44 3.38 -0.16 2.24 0.00 0.42 -4.66 121.76 121.53 1wpq s ALA 86 Ca 0.39 1.09 0.19 0.00 0.00 0.00 0.00 51.96 53.63 1wpq s ALA 86 Cb 0.22 -3.41 -0.26 0.00 0.00 0.00 0.00 23.12 19.66 1wpq s ALA 86 CO 0.30 -0.49 0.17 -0.25 0.00 0.00 0.00 175.76 175.49 1wpq n ASP 87 N 0.69 0.04 -4.07 0.00 8.00 0.41 -4.34 116.55 117.28 1wpq n ASP 87 Ca 0.01 0.02 -0.26 0.00 0.71 0.00 0.00 54.79 55.27 1wpq n ASP 87 Cb 0.44 1.14 -0.16 0.00 -0.02 0.00 0.00 41.12 42.51 1wpq n ASP 87 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1wpq s ILE 88 N -2.69 1.30 -0.14 0.53 1.01 -1.01 0.01 121.20 120.21 1wpq s ILE 88 Ca -0.09 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 59.97 1wpq s ILE 88 Cb 0.08 -1.16 0.02 0.00 0.01 0.00 0.00 42.46 41.41 1wpq s ILE 88 CO 0.84 0.39 -0.17 -0.76 0.00 0.00 0.00 174.94 175.24 1wpq s LEU 89 N 0.43 1.85 -0.45 2.97 1.02 0.75 -1.63 118.68 123.63 1wpq s LEU 89 Ca -0.12 -0.52 -0.17 0.00 0.02 0.00 0.00 54.13 53.34 1wpq s LEU 89 Cb -0.15 -1.26 0.04 0.00 0.02 0.00 0.00 46.19 44.85 1wpq s LEU 89 CO 0.04 -0.00 0.47 -0.63 0.02 0.00 0.00 176.35 176.24 1wpq s ILE 90 N 1.19 5.07 -0.48 -0.59 1.01 -0.52 -0.77 121.20 126.11 1wpq s ILE 90 Ca -0.00 -0.54 -0.24 0.00 0.00 0.00 0.00 60.65 59.87 1wpq s ILE 90 Cb -0.14 -4.11 0.03 0.00 0.01 0.00 0.00 42.46 38.25 1wpq s ILE 90 CO -0.07 -0.54 0.84 -0.36 0.00 0.00 0.00 174.94 174.81 1wpq s PHE 91 N 2.14 2.93 -0.42 3.97 0.40 0.79 -0.83 117.98 126.96 1wpq s PHE 91 Ca 0.11 0.12 0.04 0.00 -0.60 0.00 0.00 56.93 56.61 1wpq s PHE 91 Cb -0.19 -3.82 0.17 0.00 0.51 0.00 0.00 43.02 39.69 1wpq s PHE 91 CO 0.12 -1.10 0.39 0.54 0.70 0.00 0.00 175.22 175.86 1wpq s VAL 92 N 3.51 0.13 0.04 -0.44 0.11 -0.15 -0.71 120.40 122.88 1wpq s VAL 92 Ca 0.31 -2.35 0.01 0.00 -2.93 0.00 0.00 61.98 57.01 1wpq s VAL 92 Cb -0.12 -1.06 -0.03 0.00 -1.53 0.00 0.00 36.38 33.64 1wpq s VAL 92 CO 0.22 -1.05 -0.05 0.68 -3.33 0.00 0.00 175.10 171.57 1wpq s VAL 93 N 0.24 0.30 0.21 2.04 -7.23 -1.25 -3.90 120.40 110.81 1wpq s VAL 93 Ca 0.32 -1.17 -0.32 0.00 -1.81 0.00 0.00 61.98 59.00 1wpq s VAL 93 Cb 0.02 -0.66 -0.15 0.00 0.56 0.00 0.00 36.38 36.15 1wpq s VAL 93 CO -0.17 -0.57 1.24 -2.65 -0.31 0.00 0.00 175.10 172.65 1wpq n PRO 94 N 1.21 1.53 -0.32 4.82 -0.02 -1.26 -4.80 135.00 136.17 1wpq n PRO 94 Ca -0.21 0.55 0.13 0.00 -2.02 0.00 0.00 63.50 61.95 1wpq n PRO 94 Cb 0.56 -2.09 0.26 0.00 -0.02 0.00 0.00 33.50 32.21 1wpq n PRO 94 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1wpq n HIS 95 N 1.49 0.57 0.31 6.00 -0.00 -1.26 -0.72 115.22 121.61 1wpq n HIS 95 Ca 0.13 1.11 0.19 0.00 0.46 0.00 0.00 57.72 59.60 1wpq n HIS 95 Cb 0.28 -1.18 0.99 0.00 -0.12 0.00 0.00 29.99 29.96 1wpq n HIS 95 CO 0.00 0.00 0.00 -0.56 0.46 0.00 0.00 176.34 176.24 1wpq h GLN 96 N 0.00 0.00 -0.02 1.57 -0.00 -1.98 -2.75 115.11 111.93 1wpq h GLN 96 Ca 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.20 1wpq h GLN 96 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.60 1wpq h GLN 96 CO -0.87 0.00 -0.06 1.19 -0.00 0.00 0.00 178.83 179.09 1wpq n PHE 97 N -3.14 0.00 -0.10 0.06 3.01 0.11 -4.64 117.46 112.76 1wpq n PHE 97 Ca -0.02 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.33 1wpq n PHE 97 Cb 0.24 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.67 1wpq n PHE 97 CO 0.00 0.00 0.00 0.97 1.01 0.00 0.00 176.76 178.74 1wpq h ILE 98 N 3.04 1.28 -0.37 4.37 6.09 -1.55 -3.07 117.51 127.29 1wpq h ILE 98 Ca 0.00 -1.07 0.07 0.00 -1.37 0.00 0.00 64.86 62.49 1wpq h ILE 98 Cb 0.68 1.40 -0.06 0.00 0.47 0.00 0.00 36.82 39.31 1wpq h ILE 98 CO 0.00 0.34 -0.03 1.23 -3.07 0.00 0.00 178.15 176.62 1wpq h GLY 99 N 0.30 0.33 1.05 8.18 0.00 -1.82 -0.84 103.07 110.26 1wpq h GLY 99 Ca 0.07 0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.41 1wpq h GLY 99 CO 0.03 -0.11 0.14 1.70 0.00 0.00 0.00 176.54 178.30 1wpq h LYS 100 N 0.06 1.07 -0.49 4.80 3.64 -1.88 -2.81 116.57 120.96 1wpq h LYS 100 Ca 0.18 -0.27 0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1wpq h LYS 100 Cb 0.26 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1wpq h LYS 100 CO -0.33 0.96 0.31 0.82 -2.27 0.00 0.00 179.45 178.94 1wpq h ILE 101 N 0.99 1.09 0.09 2.00 2.04 -1.34 -3.07 117.51 119.31 1wpq h ILE 101 Ca 0.20 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 65.87 1wpq h ILE 101 Cb 0.39 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 1wpq h ILE 101 CO 0.01 0.11 -0.25 0.00 0.00 0.00 0.00 178.15 178.02 1wpq n ASP 103 N -5.37 0.00 0.05 0.00 4.64 -1.13 -0.46 116.55 114.29 1wpq n ASP 103 Ca -0.06 0.42 -0.15 0.00 -1.38 0.00 0.00 54.79 53.62 1wpq n ASP 103 Cb 0.28 -0.45 -0.14 0.00 -1.04 0.00 0.00 41.12 39.77 1wpq n ASP 103 CO 0.00 0.00 0.00 1.56 -0.82 0.00 0.00 177.20 177.94 1wpq h GLN 104 N 0.00 0.20 0.00 -0.67 4.20 -1.06 -3.32 115.11 114.46 1wpq h GLN 104 Ca 0.00 -0.34 -0.05 0.00 0.06 0.00 0.00 58.65 58.33 1wpq h GLN 104 Cb 0.12 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1wpq h GLN 104 CO 0.00 1.04 -0.48 -0.07 -0.67 0.00 0.00 178.83 178.65 1wpq h LEU 105 N 0.05 0.00 -8.94 1.46 3.38 0.18 -3.46 115.31 107.98 1wpq h LEU 105 Ca -0.22 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.05 1wpq h LEU 105 Cb 1.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.74 1wpq h LEU 105 CO 0.15 0.20 1.11 1.17 0.09 0.00 0.00 178.44 181.17 1wpq n LYS 106 N -3.03 1.28 -0.84 1.13 4.81 0.36 -0.60 118.16 121.26 1wpq n LYS 106 Ca 0.01 0.44 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 1wpq n LYS 106 Cb 0.62 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 33.38 1wpq n LYS 106 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wpq n GLY 107 N 5.09 0.50 0.10 3.14 0.00 -1.26 -4.93 105.19 107.83 1wpq n GLY 107 Ca 0.31 -0.71 0.02 0.00 0.00 0.00 0.00 46.02 45.65 1wpq n GLY 107 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1wpq n HIS 108 N -2.84 0.00 -3.83 1.61 8.25 0.23 -5.07 115.22 113.57 1wpq n HIS 108 Ca 0.00 -0.36 -0.21 0.00 -0.26 0.00 0.00 57.72 56.90 1wpq n HIS 108 Cb 0.00 -0.05 -0.02 0.00 1.12 0.00 0.00 29.99 31.04 1wpq n HIS 108 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1wpq s LEU 109 N -0.88 4.09 0.61 2.41 1.43 -1.26 -4.34 118.68 120.74 1wpq s LEU 109 Ca 0.06 -0.10 -0.17 0.00 -1.03 0.00 0.00 54.13 52.89 1wpq s LEU 109 Cb 0.05 -2.70 -0.03 0.00 0.03 0.00 0.00 46.19 43.55 1wpq s LEU 109 CO 0.01 -0.19 1.15 -0.54 0.23 0.00 0.00 176.35 177.00 1wpq s LYS 110 N -4.02 2.99 0.18 1.70 1.02 -1.25 -4.94 119.74 115.42 1wpq s LYS 110 Ca 0.38 1.60 -0.24 0.00 0.02 0.00 0.00 55.97 57.72 1wpq s LYS 110 Cb -0.09 -1.96 0.08 0.00 -0.52 0.00 0.00 37.83 35.34 1wpq s LYS 110 CO 0.29 -1.14 1.56 0.00 -0.92 0.00 0.00 175.35 175.14 1wpq h ALA 111 N 0.62 -0.22 -0.92 5.17 0.00 -1.96 -2.26 119.26 119.69 1wpq h ALA 111 Ca -0.49 0.15 -0.50 0.00 0.00 0.00 0.00 54.91 54.07 1wpq h ALA 111 Cb 1.27 1.00 -0.28 0.00 0.00 0.00 0.00 17.79 19.77 1wpq h ALA 111 CO 0.55 -0.79 0.57 0.09 0.00 0.00 0.00 179.25 179.68 1wpq n ASN 112 N -5.41 4.09 -4.77 0.00 3.02 -1.26 -5.01 115.26 105.93 1wpq n ASN 112 Ca 0.04 -3.66 -0.40 0.00 -0.03 0.00 0.00 54.58 50.53 1wpq n ASN 112 Cb 0.35 -0.83 -0.01 0.00 -0.61 0.00 0.00 39.78 38.68 1wpq n ASN 112 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 1wpq s PRO 113 N -3.37 4.19 0.32 3.52 0.02 -0.85 -4.97 135.00 133.85 1wpq s PRO 113 Ca 0.56 2.17 0.10 0.00 0.02 0.00 0.00 61.00 63.86 1wpq s PRO 113 Cb 0.47 -2.92 -0.06 0.00 0.02 0.00 0.00 34.50 32.01 1wpq s PRO 113 CO 0.08 -0.32 -0.13 0.95 -0.33 0.00 0.00 177.00 177.25 1wpq s THR 114 N -1.20 2.29 0.02 0.99 -4.23 0.10 -4.39 115.64 109.21 1wpq s THR 114 Ca 0.52 -2.27 -0.10 0.00 -1.18 0.00 0.00 61.69 58.67 1wpq s THR 114 Cb -0.39 -2.51 0.01 0.00 1.34 0.00 0.00 72.50 70.95 1wpq s THR 114 CO 0.51 -0.28 0.20 -0.83 -0.54 0.00 0.00 174.62 173.67 1wpq s GLY 115 N -3.56 0.00 -0.06 3.99 0.00 -0.94 -0.18 107.32 106.58 1wpq s GLY 115 Ca 0.31 -0.11 0.03 0.00 0.00 0.00 0.00 44.72 44.95 1wpq s GLY 115 CO 0.16 -0.28 -0.16 -1.50 0.00 0.00 0.00 173.10 171.32 1wpq s ILE 116 N -1.90 1.35 -0.14 0.90 2.07 0.05 -1.30 121.20 122.23 1wpq s ILE 116 Ca -0.10 -0.64 -0.05 0.00 -1.41 0.00 0.00 60.65 58.45 1wpq s ILE 116 Cb -0.04 -1.19 -0.04 0.00 0.13 0.00 0.00 42.46 41.32 1wpq s ILE 116 CO -0.00 0.40 0.03 -0.55 -1.91 0.00 0.00 174.94 172.91 1wpq s SER 117 N 0.30 5.44 0.00 4.50 0.15 0.11 -0.15 113.70 124.04 1wpq s SER 117 Ca -0.09 0.11 0.09 0.00 0.70 0.00 0.00 55.95 56.76 1wpq s SER 117 Cb -0.13 -1.77 0.13 0.00 -1.71 0.00 0.00 66.02 62.54 1wpq s SER 117 CO 0.03 0.28 0.93 0.18 1.20 0.00 0.00 173.24 175.86 1wpq n LEU 118 N 2.84 2.10 -4.72 3.45 4.32 0.11 -2.55 117.00 122.55 1wpq n LEU 118 Ca -0.18 -1.35 -0.42 0.00 -0.02 0.00 0.00 56.01 54.04 1wpq n LEU 118 Cb 0.53 -0.07 -0.03 0.00 -1.62 0.00 0.00 43.42 42.23 1wpq n LEU 118 CO 0.32 0.46 0.97 -0.63 -1.22 0.00 0.00 177.39 177.29 1wpq s ILE 119 N -0.84 3.57 -0.31 -0.08 1.01 -1.24 -4.98 121.20 118.33 1wpq s ILE 119 Ca 0.13 1.17 -0.06 0.00 0.00 0.00 0.00 60.65 61.89 1wpq s ILE 119 Cb 0.08 -3.75 0.02 0.00 0.01 0.00 0.00 42.46 38.83 1wpq s ILE 119 CO 0.12 0.12 0.08 -0.54 0.00 0.00 0.00 174.94 174.71 1wpq s LYS 120 N 0.74 2.86 0.00 2.79 1.02 -1.26 -4.89 119.74 121.00 1wpq s LYS 120 Ca 0.60 -1.01 0.00 0.00 0.02 0.00 0.00 55.97 55.58 1wpq s LYS 120 Cb -0.34 -3.37 0.00 0.00 -0.52 0.00 0.00 37.83 33.60 1wpq s LYS 120 CO 0.32 -0.53 0.00 0.41 -0.92 0.00 0.00 175.35 174.62 1wpq n GLY 121 N 4.82 -1.67 3.16 -3.33 0.00 -1.26 -4.80 105.19 102.11 1wpq n GLY 121 Ca -0.14 -1.11 -0.09 0.00 0.00 0.00 0.00 46.02 44.68 1wpq n GLY 121 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wpq s VAL 122 N -2.61 0.15 0.31 1.61 -7.23 -1.26 -4.52 120.40 106.85 1wpq s VAL 122 Ca 0.00 -1.22 0.01 0.00 -1.81 0.00 0.00 61.98 58.95 1wpq s VAL 122 Cb 0.00 -1.21 -0.00 0.00 0.56 0.00 0.00 36.38 35.73 1wpq s VAL 122 CO 0.00 -0.68 0.02 0.47 -0.31 0.00 0.00 175.10 174.61 1wpq n ASP 123 N 0.26 2.51 -4.01 4.85 8.00 0.18 -4.94 116.55 123.41 1wpq n ASP 123 Ca -0.16 -2.43 -0.21 0.00 0.71 0.00 0.00 54.79 52.70 1wpq n ASP 123 Cb 0.61 0.33 -0.16 0.00 -0.02 0.00 0.00 41.12 41.88 1wpq n ASP 123 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1wpq s GLU 124 N -3.14 1.11 0.49 -1.24 2.12 -1.26 -2.10 118.70 114.68 1wpq s GLU 124 Ca 0.03 -0.33 0.05 0.00 0.36 0.00 0.00 54.97 55.09 1wpq s GLU 124 Cb 0.00 -1.01 -0.00 0.00 0.26 0.00 0.00 34.13 33.38 1wpq s GLU 124 CO 0.02 0.10 0.27 0.20 -0.54 0.00 0.00 175.26 175.31 1wpq s GLY 125 N 0.29 2.46 0.00 -1.50 0.00 0.18 -4.85 107.32 103.90 1wpq s GLY 125 Ca -0.05 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.27 1wpq s GLY 125 CO 0.01 -1.96 0.59 -1.05 0.00 0.00 0.00 173.10 170.69 1wpq n PRO 126 N -1.51 0.00 -3.14 2.90 -0.02 -1.26 -3.05 135.00 128.92 1wpq n PRO 126 Ca -0.04 0.59 -0.45 0.00 -2.02 0.00 0.00 63.50 61.58 1wpq n PRO 126 Cb 0.65 -1.01 -0.01 0.00 -0.02 0.00 0.00 33.50 33.10 1wpq n PRO 126 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1wpq s ASN 127 N -2.72 6.91 0.00 2.55 2.20 -1.26 -4.99 114.94 117.63 1wpq s ASN 127 Ca 0.00 -2.76 0.00 0.00 -0.94 0.00 0.00 52.86 49.16 1wpq s ASN 127 Cb 0.00 -2.30 0.00 0.00 -2.00 0.00 0.00 41.25 36.95 1wpq s ASN 127 CO 0.00 -0.68 0.00 0.61 -2.94 0.00 0.00 177.10 174.09 1wpq n GLY 128 N 4.16 -1.10 3.74 0.45 0.00 -1.17 -5.00 105.19 106.26 1wpq n GLY 128 Ca 0.23 -1.62 -0.38 0.00 0.00 0.00 0.00 46.02 44.25 1wpq n GLY 128 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wpq n LEU 129 N 0.00 5.90 -3.54 0.99 7.94 -1.26 -0.65 117.00 126.38 1wpq n LEU 129 Ca 0.00 0.89 -0.09 0.00 -1.11 0.00 0.00 56.01 55.69 1wpq n LEU 129 Cb 0.00 -1.57 -0.09 0.00 0.53 0.00 0.00 43.42 42.29 1wpq n LEU 129 CO 0.00 -0.83 -0.02 -0.75 -1.11 0.00 0.00 177.39 174.68 1wpq s LYS 130 N -3.20 0.31 0.34 1.96 2.20 -0.89 -4.46 119.74 116.00 1wpq s LYS 130 Ca 0.79 0.81 -0.27 0.00 -0.36 0.00 0.00 55.97 56.94 1wpq s LYS 130 Cb -0.39 -0.02 -0.09 0.00 -1.51 0.00 0.00 37.83 35.81 1wpq s LYS 130 CO 0.43 -0.41 1.12 -0.51 -0.36 0.00 0.00 175.35 175.63 1wpq s LEU 131 N 2.57 4.36 0.15 5.43 1.43 -1.26 -0.65 118.68 130.71 1wpq s LEU 131 Ca 0.04 2.28 -0.18 0.00 -1.03 0.00 0.00 54.13 55.24 1wpq s LEU 131 Cb -0.13 -3.85 0.05 0.00 0.03 0.00 0.00 46.19 42.29 1wpq s LEU 131 CO -0.13 -0.39 1.70 0.40 0.23 0.00 0.00 176.35 178.15 1wpq h ILE 132 N 2.70 0.72 -0.94 -0.59 2.04 -1.92 -0.27 117.51 119.25 1wpq h ILE 132 Ca -0.48 -0.02 0.11 0.00 1.00 0.00 0.00 64.86 65.47 1wpq h ILE 132 Cb 1.22 0.68 -0.07 0.00 -0.74 0.00 0.00 36.82 37.90 1wpq h ILE 132 CO 0.65 0.01 0.60 0.77 0.00 0.00 0.00 178.15 180.17 1wpq h SER 133 N 0.04 0.85 -0.49 1.72 4.64 -1.93 0.32 113.55 118.70 1wpq h SER 133 Ca 0.15 0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.45 1wpq h SER 133 Cb 0.22 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 1wpq h SER 133 CO -0.29 0.48 0.08 -0.33 -0.87 0.00 0.00 176.83 175.90 1wpq h GLU 134 N 0.93 0.81 -0.90 4.77 5.08 -1.54 0.43 114.58 124.17 1wpq h GLU 134 Ca 0.44 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 1wpq h GLU 134 Cb 0.44 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 1wpq h GLU 134 CO -0.20 0.81 0.53 0.28 -1.00 0.00 0.00 179.01 179.42 1wpq h VAL 135 N 0.69 1.25 -0.10 3.13 2.07 0.52 -0.99 116.25 122.82 1wpq h VAL 135 Ca 0.15 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1wpq h VAL 135 Cb 0.39 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1wpq h VAL 135 CO 0.01 0.27 -0.04 0.40 0.02 0.00 0.00 177.57 178.23 1wpq h ILE 136 N 1.24 1.31 -0.62 4.57 2.04 -0.70 -2.26 117.51 123.09 1wpq h ILE 136 Ca 0.32 -1.02 0.03 0.00 1.00 0.00 0.00 64.86 65.19 1wpq h ILE 136 Cb -0.03 1.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 1wpq h ILE 136 CO -0.06 0.29 0.38 1.23 0.00 0.00 0.00 178.15 179.99 1wpq h GLY 137 N -0.15 0.89 1.10 5.37 0.00 -0.67 -0.39 103.07 109.22 1wpq h GLY 137 Ca 0.02 -0.28 -0.15 0.00 0.00 0.00 0.00 47.33 46.91 1wpq h GLY 137 CO 0.01 0.23 -0.38 0.83 0.00 0.00 0.00 176.54 177.24 1wpq h GLU 138 N 0.74 0.89 -0.27 4.80 5.08 -1.22 0.47 114.58 125.07 1wpq h GLU 138 Ca 0.25 -0.48 -0.16 0.00 -1.00 0.00 0.00 59.36 57.97 1wpq h GLU 138 Cb 0.03 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1wpq h GLU 138 CO -0.11 1.13 -0.47 -0.09 -1.00 0.00 0.00 179.01 178.47 1wpq h ARG 139 N 0.69 0.80 -0.01 2.33 2.43 -1.28 -3.21 114.38 116.13 1wpq h ARG 139 Ca 0.05 -0.50 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 1wpq h ARG 139 Cb 0.97 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 1wpq h ARG 139 CO 0.09 1.13 -0.39 1.28 -1.51 0.00 0.00 179.97 180.57 1wpq n LEU 140 N -4.10 1.50 -3.59 3.80 4.77 -0.17 -4.82 117.00 114.39 1wpq n LEU 140 Ca -0.05 -0.51 -0.20 0.00 -0.03 0.00 0.00 56.01 55.23 1wpq n LEU 140 Cb 0.58 -0.06 0.06 0.00 -2.33 0.00 0.00 43.42 41.67 1wpq n LEU 140 CO 0.49 0.28 0.04 0.61 -1.33 0.00 0.00 177.39 177.48 1wpq n GLY 141 N 1.39 -0.35 3.01 -0.72 0.00 0.16 -4.84 105.19 103.83 1wpq n GLY 141 Ca 0.10 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 1wpq n GLY 141 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wpq s ILE 142 N -3.50 0.21 0.38 -0.61 -4.36 -0.67 -5.03 121.20 107.63 1wpq s ILE 142 Ca 0.08 -1.00 -0.27 0.00 -0.26 0.00 0.00 60.65 59.19 1wpq s ILE 142 Cb -0.04 -0.41 -0.10 0.00 1.25 0.00 0.00 42.46 43.16 1wpq s ILE 142 CO 0.77 -0.50 1.38 -2.84 0.24 0.00 0.00 174.94 173.98 1wpq s PRO 143 N -1.64 4.10 0.12 0.37 0.02 -1.26 -4.39 135.00 132.31 1wpq s PRO 143 Ca -0.13 2.33 0.08 0.00 0.02 0.00 0.00 61.00 63.30 1wpq s PRO 143 Cb -0.09 -2.91 -0.04 0.00 0.02 0.00 0.00 34.50 31.49 1wpq s PRO 143 CO -0.01 -0.45 -0.20 -1.64 -0.33 0.00 0.00 177.00 174.37 1wpq s MET 144 N -2.08 1.15 0.33 5.54 -1.94 -1.26 -2.21 119.30 118.83 1wpq s MET 144 Ca 0.54 -1.22 0.04 0.00 -1.71 0.00 0.00 55.69 53.33 1wpq s MET 144 Cb -0.42 -1.35 -0.03 0.00 2.01 0.00 0.00 34.83 35.03 1wpq s MET 144 CO 0.55 0.30 0.17 -1.12 -0.01 0.00 0.00 175.02 174.92 1wpq s SER 145 N -2.11 1.85 0.04 3.03 0.01 -0.42 -4.74 113.70 111.35 1wpq s SER 145 Ca 0.09 -1.61 -0.01 0.00 1.31 0.00 0.00 55.95 55.73 1wpq s SER 145 Cb -0.09 0.43 -0.03 0.00 0.21 0.00 0.00 66.02 66.54 1wpq s SER 145 CO 0.05 -0.92 -0.02 0.68 0.41 0.00 0.00 173.24 173.44 1wpq s VAL 146 N -3.49 0.17 -0.14 3.43 -7.23 -0.28 -0.72 120.40 112.15 1wpq s VAL 146 Ca 0.34 -1.44 -0.01 0.00 -1.81 0.00 0.00 61.98 59.06 1wpq s VAL 146 Cb 0.04 -1.03 0.04 0.00 0.56 0.00 0.00 36.38 35.99 1wpq s VAL 146 CO 0.18 -0.79 -0.02 -0.22 -0.31 0.00 0.00 175.10 173.94 1wpq s LEU 147 N -2.35 1.18 -0.06 1.32 0.20 -1.06 0.00 118.68 117.91 1wpq s LEU 147 Ca -0.02 -0.50 -0.02 0.00 0.69 0.00 0.00 54.13 54.27 1wpq s LEU 147 Cb 0.01 -0.69 0.04 0.00 -0.43 0.00 0.00 46.19 45.11 1wpq s LEU 147 CO -0.06 -0.21 0.12 -0.04 -0.29 0.00 0.00 176.35 175.87 1wpq s MET 148 N 1.79 0.04 0.08 1.98 -1.94 0.16 -4.58 119.30 116.83 1wpq s MET 148 Ca 0.02 0.39 -0.26 0.00 -1.71 0.00 0.00 55.69 54.13 1wpq s MET 148 Cb -0.15 -0.25 0.09 0.00 2.01 0.00 0.00 34.83 36.54 1wpq s MET 148 CO -0.07 -0.22 1.16 0.20 -0.01 0.00 0.00 175.02 176.08 1wpq s GLY 149 N 1.54 -0.10 -0.92 -0.03 0.00 -1.26 -0.66 107.32 105.88 1wpq s GLY 149 Ca -0.05 0.03 -0.24 0.00 0.00 0.00 0.00 44.72 44.46 1wpq s GLY 149 CO -0.05 2.76 1.86 0.00 0.00 0.00 0.00 173.10 177.67 1wpq s ALA 150 N -2.29 1.85 -0.47 3.20 0.00 -1.22 -4.71 121.76 118.12 1wpq s ALA 150 Ca 0.22 -1.65 0.09 0.00 0.00 0.00 0.00 51.96 50.62 1wpq s ALA 150 Cb -0.00 -4.55 0.33 0.00 0.00 0.00 0.00 23.12 18.90 1wpq s ALA 150 CO 0.01 -4.61 0.80 0.09 0.00 0.00 0.00 175.76 172.06 1wpq n ASN 151 N 13.07 2.35 -4.67 0.00 3.02 -1.26 -4.53 115.26 123.23 1wpq n ASN 151 Ca 0.39 -3.27 -0.50 0.00 -0.03 0.00 0.00 54.58 51.17 1wpq n ASN 151 Cb 0.48 -0.60 -0.05 0.00 -0.61 0.00 0.00 39.78 38.99 1wpq n ASN 151 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1wpq n ILE 152 N 0.20 0.53 -0.13 2.41 2.08 -1.26 -4.84 119.36 118.35 1wpq n ILE 152 Ca 0.27 -0.11 -0.05 0.00 0.56 0.00 0.00 62.75 63.42 1wpq n ILE 152 Cb 0.53 -1.80 0.02 0.00 -0.75 0.00 0.00 39.64 37.64 1wpq n ILE 152 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1wpq h ALA 153 N 9.28 0.16 -1.00 -1.39 0.00 -1.97 -2.11 119.26 122.22 1wpq h ALA 153 Ca -0.47 0.16 0.20 0.00 0.00 0.00 0.00 54.91 54.80 1wpq h ALA 153 Cb 1.28 0.45 -0.10 0.00 0.00 0.00 0.00 17.79 19.42 1wpq h ALA 153 CO 0.95 -0.53 0.61 0.66 0.00 0.00 0.00 179.25 180.95 1wpq h SER 154 N -0.09 0.73 -0.00 0.00 4.64 -1.90 0.10 113.55 117.03 1wpq h SER 154 Ca 0.21 0.10 -0.25 0.00 -0.47 0.00 0.00 61.79 61.37 1wpq h SER 154 Cb 0.41 -0.03 0.02 0.00 -0.31 0.00 0.00 62.40 62.49 1wpq h SER 154 CO -0.49 0.24 -0.96 -0.33 -0.87 0.00 0.00 176.83 174.41 1wpq h GLU 155 N 0.70 0.70 -0.52 4.77 5.08 -1.78 -2.41 114.58 121.13 1wpq h GLU 155 Ca 0.58 -0.70 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1wpq h GLU 155 Cb 0.99 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 1wpq h GLU 155 CO -0.37 1.29 0.17 0.28 -1.00 0.00 0.00 179.01 179.38 1wpq h VAL 156 N 0.42 1.20 0.00 3.13 2.07 -0.61 -1.32 116.25 121.14 1wpq h VAL 156 Ca -0.10 -0.67 -0.06 0.00 0.82 0.00 0.00 66.70 66.68 1wpq h VAL 156 Cb 1.61 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1wpq h VAL 156 CO 0.19 0.26 -0.29 0.00 0.02 0.00 0.00 177.57 177.74 1wpq h ALA 157 N 1.45 0.96 -0.24 1.67 0.00 -0.83 -2.54 119.26 119.73 1wpq h ALA 157 Ca 0.17 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1wpq h ALA 157 Cb 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1wpq h ALA 157 CO -0.01 0.37 0.00 -0.25 0.00 0.00 0.00 179.25 179.36 1wpq n ASP 158 N -3.39 1.48 -2.19 0.00 8.00 -0.54 -4.92 116.55 115.00 1wpq n ASP 158 Ca 0.00 -1.90 -0.21 0.00 0.71 0.00 0.00 54.79 53.40 1wpq n ASP 158 Cb 0.50 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.41 1wpq n ASP 158 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1wpq n GLU 159 N 0.28 -1.60 -2.82 -1.24 1.02 -0.96 -4.98 120.64 110.33 1wpq n GLU 159 Ca 0.11 1.05 -0.41 0.00 -0.02 0.00 0.00 57.16 57.90 1wpq n GLU 159 Cb 0.25 -5.64 -0.05 0.00 -0.02 0.00 0.00 31.44 25.98 1wpq n GLU 159 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1wpq s LYS 160 N -4.76 4.63 0.10 3.49 1.02 -0.96 -4.87 119.74 118.38 1wpq s LYS 160 Ca 0.00 1.31 -0.36 0.00 0.02 0.00 0.00 55.97 56.94 1wpq s LYS 160 Cb 0.00 -3.37 -0.16 0.00 -0.52 0.00 0.00 37.83 33.78 1wpq s LYS 160 CO 0.00 0.24 1.37 0.34 -0.92 0.00 0.00 175.35 176.38 1wpq n PHE 161 N 2.77 1.61 -3.82 3.18 7.35 -1.26 -4.69 117.46 122.60 1wpq n PHE 161 Ca 0.00 0.59 -0.06 0.00 -0.76 0.00 0.00 57.45 57.22 1wpq n PHE 161 Cb 0.49 -2.36 -0.01 0.00 0.35 0.00 0.00 39.48 37.96 1wpq n PHE 161 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1wpq s GLU 163 N -3.28 1.81 0.15 0.00 2.02 -1.26 -1.83 118.70 116.31 1wpq s GLU 163 Ca 0.13 -2.06 -0.20 0.00 0.02 0.00 0.00 54.97 52.87 1wpq s GLU 163 Cb -0.04 -0.88 0.05 0.00 0.10 0.00 0.00 34.13 33.36 1wpq s GLU 163 CO 0.06 -0.29 0.51 -0.08 0.02 0.00 0.00 175.26 175.48 1wpq s THR 164 N -3.20 0.03 -0.10 3.63 -1.32 -0.21 -3.97 115.64 110.50 1wpq s THR 164 Ca 0.29 -0.30 0.02 0.00 -1.21 0.00 0.00 61.69 60.49 1wpq s THR 164 Cb 0.06 -1.11 -0.01 0.00 -1.51 0.00 0.00 72.50 69.92 1wpq s THR 164 CO 0.14 -0.14 -0.16 -0.89 -2.21 0.00 0.00 174.62 171.36 1wpq s THR 165 N -3.78 2.81 -0.21 5.08 2.01 0.16 -2.42 115.64 119.29 1wpq s THR 165 Ca 0.02 -0.77 -0.05 0.00 0.31 0.00 0.00 61.69 61.21 1wpq s THR 165 Cb 0.00 -2.14 -0.02 0.00 0.01 0.00 0.00 72.50 70.35 1wpq s THR 165 CO -0.12 0.55 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.72 1wpq s ILE 166 N 0.09 3.76 -0.39 1.82 1.01 0.03 0.40 121.20 127.91 1wpq s ILE 166 Ca -0.07 -0.37 -0.15 0.00 0.00 0.00 0.00 60.65 60.06 1wpq s ILE 166 Cb -0.15 -2.70 0.01 0.00 0.01 0.00 0.00 42.46 39.63 1wpq s ILE 166 CO 0.05 0.42 0.31 -0.83 0.00 0.00 0.00 174.94 174.89 1wpq s GLY 167 N 1.19 1.98 -0.07 6.18 0.00 0.10 -0.69 107.32 116.01 1wpq s GLY 167 Ca 0.03 -1.61 -0.03 0.00 0.00 0.00 0.00 44.72 43.11 1wpq s GLY 167 CO 0.01 0.92 0.14 0.00 0.00 0.00 0.00 173.10 174.17 1wpq h LYS 169 N 7.33 0.75 -5.93 0.00 1.57 -1.83 -3.34 116.57 115.12 1wpq h LYS 169 Ca -0.41 -0.62 -0.59 0.00 -1.87 0.00 0.00 60.65 57.16 1wpq h LYS 169 Cb 1.14 0.13 -0.08 0.00 0.08 0.00 0.00 32.23 33.49 1wpq h LYS 169 CO 0.40 1.22 0.58 0.34 -0.57 0.00 0.00 179.45 181.43 1wpq s ASP 170 N -7.10 6.86 0.10 0.86 2.15 -1.26 -4.96 116.67 113.32 1wpq s ASP 170 Ca -0.10 1.01 -0.24 0.00 0.43 0.00 0.00 52.55 53.65 1wpq s ASP 170 Cb 0.09 -2.47 -0.12 0.00 -0.30 0.00 0.00 42.92 40.12 1wpq s ASP 170 CO 0.90 -0.64 1.71 -0.65 -0.17 0.00 0.00 175.17 176.32 1wpq h PRO 171 N 7.82 -0.15 -0.23 4.34 0.11 -1.99 0.18 132.00 142.08 1wpq h PRO 171 Ca -0.22 0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.95 1wpq h PRO 171 Cb 1.08 0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 1wpq h PRO 171 CO 0.92 -0.10 -0.09 0.00 -0.21 0.00 0.00 178.00 178.52 1wpq h ALA 172 N 0.78 0.11 -0.01 -0.75 0.00 -1.99 0.25 119.26 117.66 1wpq h ALA 172 Ca 0.01 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1wpq h ALA 172 Cb 0.17 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1wpq h ALA 172 CO -0.04 -0.51 -0.16 0.37 0.00 0.00 0.00 179.25 178.91 1wpq h GLN 173 N -0.06 0.01 -0.34 0.00 5.75 -1.93 -1.95 115.11 116.60 1wpq h GLN 173 Ca 0.12 -0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.54 1wpq h GLN 173 Cb 0.24 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 1wpq h GLN 173 CO -0.27 0.18 -0.10 0.78 -2.65 0.00 0.00 178.83 176.77 1wpq h GLY 174 N 0.52 0.73 1.14 2.39 0.00 0.11 -1.57 103.07 106.38 1wpq h GLY 174 Ca 0.00 -0.61 -0.10 0.00 0.00 0.00 0.00 47.33 46.62 1wpq h GLY 174 CO 0.02 0.56 -0.03 -1.61 0.00 0.00 0.00 176.54 175.48 1wpq h GLN 175 N 0.45 1.02 -0.38 4.80 5.75 -0.64 -1.81 115.11 124.30 1wpq h GLN 175 Ca 0.08 -0.33 -0.03 0.00 -0.15 0.00 0.00 58.65 58.22 1wpq h GLN 175 Cb 0.62 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.06 1wpq h GLN 175 CO 0.04 1.02 0.13 1.25 -2.65 0.00 0.00 178.83 178.62 1wpq h LEU 176 N 0.93 0.55 -1.29 -2.39 7.12 -1.30 -1.40 115.31 117.53 1wpq h LEU 176 Ca 0.16 -0.19 -0.06 0.00 0.13 0.00 0.00 57.88 57.92 1wpq h LEU 176 Cb 0.58 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.55 1wpq h LEU 176 CO 0.03 0.60 -0.13 -0.07 -0.13 0.00 0.00 178.44 178.74 1wpq h LEU 177 N 0.47 0.30 -0.64 2.25 3.38 -1.17 -1.90 115.31 118.00 1wpq h LEU 177 Ca 0.12 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 1wpq h LEU 177 Cb 0.23 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1wpq h LEU 177 CO -0.01 0.47 -0.29 0.50 0.09 0.00 0.00 178.44 179.20 1wpq h LYS 178 N 0.30 0.75 -0.20 1.13 3.64 -0.92 -1.17 116.57 120.09 1wpq h LYS 178 Ca 0.06 -0.33 -0.12 0.00 -1.27 0.00 0.00 60.65 58.99 1wpq h LYS 178 Cb 0.42 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1wpq h LYS 178 CO 0.02 0.95 -0.37 0.93 -2.27 0.00 0.00 179.45 178.71 1wpq h GLU 179 N 0.64 0.44 0.00 1.90 5.08 -0.76 0.15 114.58 122.03 1wpq h GLU 179 Ca 0.08 -0.20 -0.18 0.00 -1.00 0.00 0.00 59.36 58.05 1wpq h GLU 179 Cb 0.81 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 1wpq h GLU 179 CO 0.07 0.75 -0.87 1.25 -1.00 0.00 0.00 179.01 179.21 1wpq h LEU 180 N 0.37 0.04 0.00 1.33 5.85 -1.14 -3.37 115.31 118.39 1wpq h LEU 180 Ca 0.04 -0.04 -0.36 0.00 0.84 0.00 0.00 57.88 58.36 1wpq h LEU 180 Cb 0.82 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.77 1wpq h LEU 180 CO 0.07 0.89 -2.33 0.23 -0.34 0.00 0.00 178.44 176.95 1wpq n MET 181 N -3.54 0.68 -1.97 1.25 2.81 -0.46 -4.51 117.12 111.38 1wpq n MET 181 Ca -0.01 0.03 -0.38 0.00 -1.81 0.00 0.00 57.70 55.53 1wpq n MET 181 Cb 0.82 -1.55 0.02 0.00 -0.71 0.00 0.00 33.22 31.81 1wpq n MET 181 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1wpq s GLN 182 N -2.50 3.31 0.06 0.03 0.74 0.50 -4.91 119.66 116.90 1wpq s GLN 182 Ca -0.11 2.02 -0.06 0.00 0.05 0.00 0.00 55.36 57.26 1wpq s GLN 182 Cb 0.06 -2.25 -0.01 0.00 1.10 0.00 0.00 33.01 31.91 1wpq s GLN 182 CO 0.82 -0.99 0.11 0.99 -0.55 0.00 0.00 175.29 175.67 1wpq s THR 183 N -1.43 0.16 0.22 -0.34 2.01 -0.54 -4.96 115.64 110.76 1wpq s THR 183 Ca 0.70 -1.32 0.29 0.00 0.31 0.00 0.00 61.69 61.67 1wpq s THR 183 Cb -0.35 -1.27 0.29 0.00 0.01 0.00 0.00 72.50 71.18 1wpq s THR 183 CO 0.41 -0.73 1.88 -0.65 -0.69 0.00 0.00 174.62 174.85 1wpq h PRO 184 N 3.10 0.00 0.00 4.92 0.11 -2.01 -1.36 132.00 136.76 1wpq h PRO 184 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1wpq h PRO 184 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1wpq h PRO 184 CO 0.57 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.45 1wpq n ASN 185 N -2.58 1.18 -3.80 -2.05 4.13 -1.26 -4.81 115.26 106.07 1wpq n ASN 185 Ca -0.02 -1.23 -0.28 0.00 1.68 0.00 0.00 54.58 54.73 1wpq n ASN 185 Cb 0.12 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.24 1wpq n ASN 185 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1wpq s PHE 186 N -0.23 2.86 -0.09 3.10 5.36 -0.51 -1.47 117.98 127.00 1wpq s PHE 186 Ca 0.00 -3.00 -0.25 0.00 -0.96 0.00 0.00 56.93 52.71 1wpq s PHE 186 Cb 0.00 -2.32 -0.03 0.00 -0.34 0.00 0.00 43.02 40.33 1wpq s PHE 186 CO 0.00 -0.66 0.79 1.03 -1.46 0.00 0.00 175.22 174.92 1wpq s ARG 187 N -0.72 4.42 -0.03 10.12 1.81 -0.76 -1.47 118.95 132.32 1wpq s ARG 187 Ca 0.23 1.02 0.02 0.00 -1.72 0.00 0.00 55.73 55.28 1wpq s ARG 187 Cb -0.10 -3.49 -0.03 0.00 -0.45 0.00 0.00 34.95 30.88 1wpq s ARG 187 CO -0.11 -0.08 -0.05 0.42 -0.68 0.00 0.00 175.30 174.80 1wpq s ILE 188 N 1.25 3.81 -0.10 1.52 1.01 -1.26 -1.05 121.20 126.38 1wpq s ILE 188 Ca 0.40 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.46 1wpq s ILE 188 Cb -0.18 -2.63 0.02 0.00 0.01 0.00 0.00 42.46 39.68 1wpq s ILE 188 CO 0.18 0.48 -0.11 -0.89 0.00 0.00 0.00 174.94 174.59 1wpq s THR 189 N -0.94 1.22 -0.13 2.92 2.01 -1.02 -4.99 115.64 114.72 1wpq s THR 189 Ca 0.16 -0.46 -0.12 0.00 0.31 0.00 0.00 61.69 61.57 1wpq s THR 189 Cb -0.11 -1.16 -0.05 0.00 0.01 0.00 0.00 72.50 71.19 1wpq s THR 189 CO 0.06 0.39 0.28 -0.69 -0.69 0.00 0.00 174.62 173.96 1wpq s VAL 190 N 1.19 5.30 0.10 3.82 1.01 -1.26 -0.79 120.40 129.77 1wpq s VAL 190 Ca -0.04 0.52 0.02 0.00 0.00 0.00 0.00 61.98 62.48 1wpq s VAL 190 Cb -0.14 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1wpq s VAL 190 CO -0.03 0.47 -0.07 0.68 0.00 0.00 0.00 175.10 176.15 1wpq s VAL 191 N -0.11 0.77 -1.94 2.92 -7.23 0.13 -4.95 120.40 110.00 1wpq s VAL 191 Ca 0.17 -1.89 0.24 0.00 -1.81 0.00 0.00 61.98 58.70 1wpq s VAL 191 Cb -0.13 -1.62 0.12 0.00 0.56 0.00 0.00 36.38 35.30 1wpq s VAL 191 CO 0.05 -0.81 1.30 0.00 -0.31 0.00 0.00 175.10 175.34 1wpq n GLN 192 N 0.06 1.08 -1.36 4.82 6.02 -1.26 -0.93 117.38 125.82 1wpq n GLN 192 Ca -0.13 -0.80 -0.30 0.00 -0.01 0.00 0.00 57.00 55.76 1wpq n GLN 192 Cb 0.60 -1.48 -0.07 0.00 1.02 0.00 0.00 30.24 30.31 1wpq n GLN 192 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1wpq n GLU 193 N -0.26 3.24 -0.12 -1.09 2.13 -1.26 -4.45 120.64 118.83 1wpq n GLU 193 Ca 0.11 -2.09 -0.03 0.00 0.66 0.00 0.00 57.16 55.80 1wpq n GLU 193 Cb 0.42 -2.47 -0.03 0.00 0.27 0.00 0.00 31.44 29.63 1wpq n GLU 193 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1wpq n VAL 194 N 2.67 -0.19 -0.35 6.31 0.31 -1.26 -1.75 118.33 124.05 1wpq n VAL 194 Ca 0.63 1.51 0.01 0.00 -0.01 0.00 0.00 64.34 66.48 1wpq n VAL 194 Cb 0.46 -1.95 0.07 0.00 -0.91 0.00 0.00 33.84 31.51 1wpq n VAL 194 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1wpq h ASP 195 N 0.00 -1.24 -0.59 4.52 5.19 -1.95 0.50 116.42 122.84 1wpq h ASP 195 Ca 0.05 0.30 -0.07 0.00 -0.62 0.00 0.00 57.03 56.68 1wpq h ASP 195 Cb 0.12 0.69 -0.03 0.00 0.18 0.00 0.00 39.33 40.29 1wpq h ASP 195 CO -0.27 -0.30 0.12 0.74 -3.12 0.00 0.00 179.24 176.41 1wpq h THR 196 N -0.02 1.25 -0.65 0.35 2.02 -1.68 -1.23 112.91 112.95 1wpq h THR 196 Ca 0.37 -0.96 -0.03 0.00 0.77 0.00 0.00 66.41 66.57 1wpq h THR 196 Cb 0.63 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 1wpq h THR 196 CO -0.96 0.36 0.29 0.58 0.37 0.00 0.00 175.52 176.16 1wpq h VAL 197 N 0.95 1.23 -0.24 3.16 2.07 -0.43 -1.99 116.25 120.99 1wpq h VAL 197 Ca 0.20 -0.66 -0.14 0.00 0.82 0.00 0.00 66.70 66.91 1wpq h VAL 197 Cb 0.38 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1wpq h VAL 197 CO 0.01 0.27 -0.45 -0.08 0.02 0.00 0.00 177.57 177.34 1wpq h GLU 198 N 0.90 0.61 0.00 1.57 4.81 -0.89 -2.99 114.58 118.59 1wpq h GLU 198 Ca 0.22 -0.33 -0.09 0.00 -0.13 0.00 0.00 59.36 59.03 1wpq h GLU 198 Cb 0.15 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1wpq h GLU 198 CO -0.02 0.93 -0.42 0.97 -0.73 0.00 0.00 179.01 179.74 1wpq h ILE 199 N 0.49 1.20 -0.31 2.32 6.09 -0.98 -2.70 117.51 123.61 1wpq h ILE 199 Ca 0.03 -1.49 -0.06 0.00 -1.37 0.00 0.00 64.86 61.97 1wpq h ILE 199 Cb 0.97 1.83 -0.01 0.00 0.47 0.00 0.00 36.82 40.08 1wpq h ILE 199 CO 0.09 0.41 -0.04 0.00 -3.07 0.00 0.00 178.15 175.54 1wpq h GLY 201 N 0.36 0.86 0.95 0.00 0.00 -1.45 -2.02 103.07 101.78 1wpq h GLY 201 Ca 0.08 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 1wpq h GLY 201 CO 0.02 0.39 -0.35 0.00 0.00 0.00 0.00 176.54 176.61 1wpq h ALA 202 N 1.12 -0.97 -0.46 3.60 0.00 -1.36 -3.32 119.26 117.86 1wpq h ALA 202 Ca 0.19 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1wpq h ALA 202 Cb 0.10 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1wpq h ALA 202 CO -0.03 -1.01 0.02 -0.07 0.00 0.00 0.00 179.25 178.16 1wpq h LEU 203 N -1.03 0.71 -2.31 0.00 3.38 -1.15 -3.19 115.31 111.72 1wpq h LEU 203 Ca -0.10 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.73 1wpq h LEU 203 Cb 0.76 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1wpq h LEU 203 CO 0.16 0.77 0.06 0.07 0.09 0.00 0.00 178.44 179.59 1wpq h LYS 204 N 0.70 0.00 0.00 1.13 5.09 -1.46 -1.01 116.57 121.02 1wpq h LYS 204 Ca 0.14 0.00 -0.09 0.00 0.09 0.00 0.00 60.65 60.79 1wpq h LYS 204 Cb 0.41 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.73 1wpq h LYS 204 CO 0.01 0.00 -0.42 -0.91 -2.09 0.00 0.00 179.45 176.04 1wpq h ASN 205 N 0.00 0.00 -0.12 7.07 2.35 -1.69 -0.78 115.58 122.40 1wpq h ASN 205 Ca 0.03 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.66 1wpq h ASN 205 Cb 0.15 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1wpq h ASN 205 CO -0.00 0.42 -0.30 0.58 -1.65 0.00 0.00 177.43 176.48 1wpq h VAL 206 N 0.00 1.28 -0.27 2.81 2.07 -1.36 -1.63 116.25 119.15 1wpq h VAL 206 Ca -0.00 -1.41 -0.18 0.00 0.82 0.00 0.00 66.70 65.93 1wpq h VAL 206 Cb 0.79 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1wpq h VAL 206 CO 0.05 0.45 -0.55 0.58 0.02 0.00 0.00 177.57 178.12 1wpq h VAL 207 N 0.52 1.28 -0.52 2.57 2.07 -1.35 -2.97 116.25 117.85 1wpq h VAL 207 Ca 0.06 -1.75 -0.04 0.00 0.82 0.00 0.00 66.70 65.80 1wpq h VAL 207 Cb 0.78 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 1wpq h VAL 207 CO 0.06 0.57 0.17 0.00 0.02 0.00 0.00 177.57 178.39 1wpq h ALA 208 N 0.74 1.32 -0.60 1.67 0.00 -0.88 0.53 119.26 122.04 1wpq h ALA 208 Ca 0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1wpq h ALA 208 Cb 1.15 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1wpq h ALA 208 CO 0.12 0.49 0.21 0.28 0.00 0.00 0.00 179.25 180.35 1wpq h VAL 209 N 0.75 1.22 -0.22 0.00 2.07 -1.20 -0.29 116.25 118.59 1wpq h VAL 209 Ca 0.17 -0.75 -0.12 0.00 0.82 0.00 0.00 66.70 66.83 1wpq h VAL 209 Cb 0.21 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1wpq h VAL 209 CO -0.01 0.29 -0.36 1.23 0.02 0.00 0.00 177.57 178.74 1wpq h GLY 210 N 1.00 0.53 1.06 2.17 0.00 -1.02 -2.23 103.07 104.57 1wpq h GLY 210 Ca 0.20 -0.49 -0.11 0.00 0.00 0.00 0.00 47.33 46.93 1wpq h GLY 210 CO -0.01 0.44 -0.16 0.00 0.00 0.00 0.00 176.54 176.82 1wpq h ALA 211 N 1.21 0.64 -0.70 3.60 0.00 -0.19 -2.51 119.26 121.31 1wpq h ALA 211 Ca 0.04 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1wpq h ALA 211 Cb 0.82 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1wpq h ALA 211 CO 0.07 0.58 0.39 0.78 0.00 0.00 0.00 179.25 181.07 1wpq h GLY 212 N 0.77 1.03 0.91 0.00 0.00 -0.91 -1.65 103.07 103.22 1wpq h GLY 212 Ca 0.11 -0.45 0.01 0.00 0.00 0.00 0.00 47.33 47.01 1wpq h GLY 212 CO 0.05 0.43 0.06 0.74 0.00 0.00 0.00 176.54 177.83 1wpq h PHE 213 N 0.97 0.11 -0.35 5.60 0.05 -1.06 -0.86 116.94 121.41 1wpq h PHE 213 Ca 0.25 0.01 -0.03 0.00 3.82 0.00 0.00 57.97 62.01 1wpq h PHE 213 Cb 0.01 -0.03 -0.02 0.00 2.00 0.00 0.00 35.95 37.92 1wpq h PHE 213 CO 0.01 0.06 0.07 0.00 -0.18 0.00 0.00 178.31 178.27 1wpq h ASP 215 N 0.50 0.77 0.70 0.00 3.32 -0.90 -1.52 116.42 119.30 1wpq h ASP 215 Ca 0.12 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1wpq h ASP 215 Cb 0.22 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1wpq h ASP 215 CO -0.00 0.92 0.00 0.61 -1.72 0.00 0.00 179.24 179.05 1wpq n GLY 216 N -0.39 -1.19 0.82 2.75 0.00 -0.31 -1.70 105.19 105.17 1wpq n GLY 216 Ca 0.01 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.11 1wpq n GLY 216 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wpq n LEU 217 N -1.62 2.62 0.00 0.99 4.77 -0.49 -4.56 117.00 118.70 1wpq n LEU 217 Ca 0.04 -0.88 0.00 0.00 -0.03 0.00 0.00 56.01 55.14 1wpq n LEU 217 Cb 0.23 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1wpq n LEU 217 CO 0.18 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1wpq n GLY 218 N 1.33 0.77 3.93 -0.72 0.00 -0.69 -5.08 105.19 104.74 1wpq n GLY 218 Ca 0.14 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 1wpq n GLY 218 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wpq s PHE 219 N -2.00 3.38 0.00 1.61 0.40 -0.63 -5.03 117.98 115.71 1wpq s PHE 219 Ca 0.00 0.45 0.00 0.00 -0.60 0.00 0.00 56.93 56.78 1wpq s PHE 219 Cb 0.00 -2.25 0.00 0.00 0.51 0.00 0.00 43.02 41.28 1wpq s PHE 219 CO 0.00 -0.27 0.00 0.41 0.70 0.00 0.00 175.22 176.06 1wpq n GLY 220 N -2.11 2.72 0.23 4.36 0.00 -1.26 -4.58 105.19 104.55 1wpq n GLY 220 Ca -0.00 -1.87 -0.12 0.00 0.00 0.00 0.00 46.02 44.03 1wpq n GLY 220 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wpq h ASP 221 N 0.00 0.78 -0.54 1.61 3.32 -1.99 -2.66 116.42 116.95 1wpq h ASP 221 Ca 0.00 -0.40 0.04 0.00 0.02 0.00 0.00 57.03 56.68 1wpq h ASP 221 Cb 0.00 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 1wpq h ASP 221 CO 0.00 1.01 0.36 0.78 -1.72 0.00 0.00 179.24 179.67 1wpq h ASN 222 N 0.55 0.52 -0.06 6.45 2.35 -1.99 0.29 115.58 123.69 1wpq h ASN 222 Ca 0.08 -0.01 -0.24 0.00 -0.55 0.00 0.00 56.30 55.58 1wpq h ASN 222 Cb 0.71 -0.12 0.02 0.00 0.05 0.00 0.00 38.32 38.98 1wpq h ASN 222 CO 0.05 0.35 -0.91 0.74 -1.65 0.00 0.00 177.43 176.01 1wpq h THR 223 N 0.60 1.28 -0.62 2.81 2.02 -1.95 -2.60 112.91 114.46 1wpq h THR 223 Ca 0.22 -2.12 -0.09 0.00 0.77 0.00 0.00 66.41 65.18 1wpq h THR 223 Cb 0.12 2.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.74 1wpq h THR 223 CO -0.06 0.66 0.03 0.50 0.37 0.00 0.00 175.52 177.03 1wpq h LYS 224 N 0.42 1.07 -0.27 6.66 3.64 -0.96 -0.78 116.57 126.34 1wpq h LYS 224 Ca -0.10 -0.32 0.03 0.00 -1.27 0.00 0.00 60.65 58.99 1wpq h LYS 224 Cb 1.56 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 33.25 1wpq h LYS 224 CO 0.18 1.03 0.10 0.00 -2.27 0.00 0.00 179.45 178.49 1wpq h ALA 225 N 1.00 0.31 -0.25 5.00 0.00 -0.47 -0.47 119.26 124.38 1wpq h ALA 225 Ca 0.18 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1wpq h ALA 225 Cb 0.52 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1wpq h ALA 225 CO 0.03 -0.30 -0.12 0.00 0.00 0.00 0.00 179.25 178.86 1wpq h ALA 226 N 1.16 1.34 -0.50 0.00 0.00 -1.24 0.51 119.26 120.52 1wpq h ALA 226 Ca 0.12 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1wpq h ALA 226 Cb 0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1wpq h ALA 226 CO -0.11 0.45 0.13 0.28 0.00 0.00 0.00 179.25 180.00 1wpq h VAL 227 N 0.39 1.24 -0.47 0.00 2.07 -0.37 0.54 116.25 119.63 1wpq h VAL 227 Ca 0.07 -0.82 -0.09 0.00 0.82 0.00 0.00 66.70 66.68 1wpq h VAL 227 Cb 0.44 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1wpq h VAL 227 CO 0.03 0.30 -0.07 0.40 0.02 0.00 0.00 177.57 178.24 1wpq h ILE 228 N 0.69 1.27 -0.26 4.57 2.04 -0.65 -0.87 117.51 124.30 1wpq h ILE 228 Ca 0.16 -1.18 -0.04 0.00 1.00 0.00 0.00 64.86 64.79 1wpq h ILE 228 Cb 0.31 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1wpq h ILE 228 CO -0.00 0.41 -0.01 -0.09 0.00 0.00 0.00 178.15 178.46 1wpq h ARG 229 N 0.74 0.47 0.00 2.37 2.43 -0.63 -0.16 114.38 119.59 1wpq h ARG 229 Ca 0.13 -0.15 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 1wpq h ARG 229 Cb 0.61 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 1wpq h ARG 229 CO 0.04 0.64 -0.52 -0.07 -1.51 0.00 0.00 179.97 178.55 1wpq h LEU 230 N 0.24 0.00 -0.31 3.80 3.38 -0.91 -2.37 115.31 119.14 1wpq h LEU 230 Ca 0.07 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1wpq h LEU 230 Cb 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1wpq h LEU 230 CO 0.02 0.52 -0.05 1.23 0.09 0.00 0.00 178.44 180.25 1wpq h GLY 231 N 1.84 0.63 1.01 0.83 0.00 -0.92 -2.45 103.07 104.01 1wpq h GLY 231 Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1wpq h GLY 231 CO 0.07 0.46 0.48 -2.00 0.00 0.00 0.00 176.54 175.55 1wpq h LEU 232 N 0.36 0.87 -0.52 3.11 5.85 -0.81 0.06 115.31 124.24 1wpq h LEU 232 Ca 0.08 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.83 1wpq h LEU 232 Cb 0.52 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 1wpq h LEU 232 CO 0.03 0.64 0.23 -0.03 -0.34 0.00 0.00 178.44 178.96 1wpq h MET 233 N 1.01 0.43 0.00 1.25 4.05 -1.26 -0.73 114.93 119.67 1wpq h MET 233 Ca 0.27 -0.03 -0.11 0.00 -0.28 0.00 0.00 59.70 59.56 1wpq h MET 233 Cb -0.10 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.59 1wpq h MET 233 CO -0.06 0.28 -0.50 0.93 0.23 0.00 0.00 176.91 177.79 1wpq h GLU 234 N 0.44 0.00 0.24 0.39 5.08 -0.93 -2.39 114.58 117.41 1wpq h GLU 234 Ca 0.24 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1wpq h GLU 234 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1wpq h GLU 234 CO -0.21 0.50 -0.11 0.52 -1.00 0.00 0.00 179.01 178.71 1wpq h MET 235 N 0.00 -0.31 0.19 2.33 2.86 0.21 0.45 114.93 120.65 1wpq h MET 235 Ca -0.01 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1wpq h MET 235 Cb 0.91 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.63 1wpq h MET 235 CO 0.07 -0.01 -0.16 0.82 1.06 0.00 0.00 176.91 178.69 1wpq h ILE 236 N -0.62 0.65 -0.99 -1.22 2.04 -1.20 0.29 117.51 116.46 1wpq h ILE 236 Ca -0.03 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.95 1wpq h ILE 236 Cb 0.44 0.65 -0.08 0.00 -0.74 0.00 0.00 36.82 37.09 1wpq h ILE 236 CO 0.05 0.00 0.63 0.00 0.00 0.00 0.00 178.15 178.83 1wpq h ALA 237 N 0.42 1.56 -0.22 1.87 0.00 -1.45 0.12 119.26 121.55 1wpq h ALA 237 Ca -0.00 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1wpq h ALA 237 Cb 0.33 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1wpq h ALA 237 CO -0.02 0.19 -0.15 0.35 0.00 0.00 0.00 179.25 179.62 1wpq h PHE 238 N 0.96 0.58 -0.12 0.00 3.57 -0.19 -2.47 116.94 119.27 1wpq h PHE 238 Ca 0.49 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 1wpq h PHE 238 Cb 0.52 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1wpq h PHE 238 CO -0.00 0.80 0.05 0.00 -2.23 0.00 0.00 178.31 176.93 1wpq h ALA 239 N 0.69 0.15 -0.31 2.41 0.00 0.58 -0.26 119.26 122.52 1wpq h ALA 239 Ca 0.04 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1wpq h ALA 239 Cb 0.67 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1wpq h ALA 239 CO 0.04 -0.27 0.20 0.87 0.00 0.00 0.00 179.25 180.09 1wpq h LYS 240 N 0.05 0.37 0.19 0.00 1.57 -0.86 0.41 116.57 118.30 1wpq h LYS 240 Ca 0.04 -0.02 -0.32 0.00 -1.87 0.00 0.00 60.65 58.47 1wpq h LYS 240 Cb 0.14 -0.08 0.02 0.00 0.08 0.00 0.00 32.23 32.39 1wpq h LYS 240 CO -0.00 0.24 -1.53 1.25 -0.57 0.00 0.00 179.45 178.84 1wpq h LEU 241 N 0.38 0.62 0.00 2.94 5.85 -1.16 -3.40 115.31 120.53 1wpq h LEU 241 Ca 0.12 -0.76 0.00 0.00 0.84 0.00 0.00 57.88 58.08 1wpq h LEU 241 Cb 0.01 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.84 1wpq h LEU 241 CO -0.03 1.62 -1.04 0.49 -0.34 0.00 0.00 178.44 179.14 1wpq n PHE 242 N -3.59 0.00 -2.92 1.25 3.01 -0.13 -5.00 117.46 110.07 1wpq n PHE 242 Ca -0.17 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 57.92 1wpq n PHE 242 Cb 1.07 -0.11 -0.06 0.00 -0.01 0.00 0.00 39.48 40.37 1wpq n PHE 242 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1wpq s SER 244 N -1.69 7.56 0.07 0.00 0.01 -1.26 -4.89 113.70 113.50 1wpq s SER 244 Ca 0.48 1.85 0.00 0.00 1.31 0.00 0.00 55.95 59.59 1wpq s SER 244 Cb -0.17 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.48 1wpq s SER 244 CO 0.22 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.59 1wpq n GLY 245 N 1.70 -1.49 3.64 3.44 0.00 -1.26 -4.90 105.19 106.32 1wpq n GLY 245 Ca -0.02 -1.46 -0.46 0.00 0.00 0.00 0.00 46.02 44.08 1wpq n GLY 245 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1wpq n PRO 246 N -1.80 1.79 -3.76 1.61 -0.02 -1.26 -5.01 135.00 126.55 1wpq n PRO 246 Ca 0.00 0.64 -0.30 0.00 -2.02 0.00 0.00 63.50 61.82 1wpq n PRO 246 Cb 0.13 -2.28 -0.15 0.00 -0.02 0.00 0.00 33.50 31.18 1wpq n PRO 246 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1wpq s VAL 247 N 0.13 0.93 0.24 -1.45 1.01 -1.26 -4.88 120.40 115.12 1wpq s VAL 247 Ca 0.72 -1.33 -0.10 0.00 0.00 0.00 0.00 61.98 61.28 1wpq s VAL 247 Cb -0.72 -1.64 -0.07 0.00 0.00 0.00 0.00 36.38 33.94 1wpq s VAL 247 CO 0.48 -0.59 0.56 -0.94 0.00 0.00 0.00 175.10 174.62 1wpq s SER 248 N 1.60 6.64 0.31 3.32 1.04 -1.26 -4.89 113.70 120.46 1wpq s SER 248 Ca 0.08 0.95 0.15 0.00 0.48 0.00 0.00 55.95 57.60 1wpq s SER 248 Cb -0.17 -2.24 0.44 0.00 0.10 0.00 0.00 66.02 64.15 1wpq s SER 248 CO -0.21 -0.09 1.63 0.28 0.98 0.00 0.00 173.24 175.83 1wpq h SER 249 N 2.51 0.00 -0.54 7.02 0.02 -2.00 -3.22 113.55 117.34 1wpq h SER 249 Ca -0.47 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 60.55 1wpq h SER 249 Cb 1.17 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.65 1wpq h SER 249 CO 0.69 0.52 0.23 0.00 -1.14 0.00 0.00 176.83 177.13 1wpq h ALA 250 N 1.48 0.69 -1.20 3.77 0.00 -2.01 -1.69 119.26 120.30 1wpq h ALA 250 Ca -0.01 0.05 0.35 0.00 0.00 0.00 0.00 54.91 55.30 1wpq h ALA 250 Cb 1.08 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 1wpq h ALA 250 CO 0.07 -0.14 0.90 1.15 0.00 0.00 0.00 179.25 181.22 1wpq h THR 251 N 0.45 0.34 0.00 0.00 2.02 -1.98 0.64 112.91 114.37 1wpq h THR 251 Ca 0.25 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.43 1wpq h THR 251 Cb 0.23 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1wpq h THR 251 CO -0.22 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.16 1wpq n PHE 252 N -4.06 0.38 1.39 3.16 3.01 -0.63 -2.42 117.46 118.29 1wpq n PHE 252 Ca 0.26 0.13 0.11 0.00 1.01 0.00 0.00 57.45 58.96 1wpq n PHE 252 Cb 1.29 -0.71 0.44 0.00 -0.01 0.00 0.00 39.48 40.49 1wpq n PHE 252 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1wpq n LEU 253 N -1.83 1.39 -4.92 4.37 4.77 0.22 -0.50 117.00 120.50 1wpq n LEU 253 Ca 0.05 -0.56 -0.27 0.00 -0.03 0.00 0.00 56.01 55.20 1wpq n LEU 253 Cb 0.29 -0.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.34 1wpq n LEU 253 CO 0.23 0.28 0.54 -1.61 -1.33 0.00 0.00 177.39 175.50 1wpq s GLU 254 N -1.86 2.90 0.32 3.23 0.41 -1.01 -4.78 118.70 117.91 1wpq s GLU 254 Ca 0.33 -0.00 0.10 0.00 -0.41 0.00 0.00 54.97 54.99 1wpq s GLU 254 Cb 0.18 -2.26 0.93 0.00 -1.78 0.00 0.00 34.13 31.19 1wpq s GLU 254 CO 0.27 -0.72 1.70 1.03 -0.49 0.00 0.00 175.26 177.05 1wpq h SER 255 N -0.19 0.54 0.28 -0.19 0.87 -1.88 0.44 113.55 113.42 1wpq h SER 255 Ca -0.45 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1wpq h SER 255 Cb 1.26 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 1wpq h SER 255 CO 0.61 -0.01 0.00 0.00 -0.53 0.00 0.00 176.83 176.90 1wpq n GLY 257 N -0.80 -0.15 0.23 0.00 0.00 0.15 -4.16 105.19 100.47 1wpq n GLY 257 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 1wpq n GLY 257 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wpq h VAL 258 N 0.00 0.53 0.25 1.61 2.07 -0.79 -2.37 116.25 117.56 1wpq h VAL 258 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1wpq h VAL 258 Cb 0.00 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 1wpq h VAL 258 CO 0.00 0.00 -0.41 0.00 0.02 0.00 0.00 177.57 177.18 1wpq h ALA 259 N 0.65 -0.81 -0.10 1.67 0.00 -1.73 -0.72 119.26 118.23 1wpq h ALA 259 Ca 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1wpq h ALA 259 Cb 0.39 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1wpq h ALA 259 CO -0.21 -1.01 0.03 0.22 0.00 0.00 0.00 179.25 178.28 1wpq h ASP 260 N -0.73 0.12 -0.25 0.00 3.58 -1.26 0.86 116.42 118.74 1wpq h ASP 260 Ca -0.01 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 1wpq h ASP 260 Cb 0.70 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.71 1wpq h ASP 260 CO -0.16 0.12 0.12 0.25 -2.88 0.00 0.00 179.24 176.70 1wpq h LEU 261 N 0.14 0.32 0.24 2.28 5.85 -0.85 -1.67 115.31 121.61 1wpq h LEU 261 Ca 0.04 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1wpq h LEU 261 Cb 0.05 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1wpq h LEU 261 CO -0.00 0.35 -0.11 0.40 -0.34 0.00 0.00 178.44 178.73 1wpq h ILE 262 N 0.27 0.83 -0.59 4.05 2.04 0.51 -2.50 117.51 122.12 1wpq h ILE 262 Ca 0.09 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 1wpq h ILE 262 Cb 0.11 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1wpq h ILE 262 CO -0.01 0.13 0.23 0.00 0.00 0.00 0.00 178.15 178.51 1wpq h THR 263 N -0.65 1.21 -0.35 -0.27 1.03 -0.96 -2.55 112.91 110.37 1wpq h THR 263 Ca -0.03 -0.66 -0.10 0.00 -0.01 0.00 0.00 66.41 65.60 1wpq h THR 263 Cb 0.46 0.51 -0.01 0.00 -1.07 0.00 0.00 68.15 68.04 1wpq h THR 263 CO 0.05 0.26 -0.17 0.74 -0.01 0.00 0.00 175.52 176.39 1wpq h THR 264 N 0.85 1.29 0.00 0.00 2.02 -1.36 0.10 112.91 115.80 1wpq h THR 264 Ca 0.20 -1.30 0.00 0.00 0.77 0.00 0.00 66.41 66.09 1wpq h THR 264 Cb 0.17 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1wpq h THR 264 CO -0.02 0.43 0.00 0.00 0.37 0.00 0.00 175.52 176.30 1wpq n TYR 266 N -2.99 0.00 -2.19 0.00 4.02 -0.98 -4.74 117.16 110.27 1wpq n TYR 266 Ca -0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.90 1wpq n TYR 266 Cb 0.23 -0.80 0.01 0.00 -0.02 0.00 0.00 39.34 38.76 1wpq n TYR 266 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1wpq n GLY 267 N 2.08 0.70 3.93 2.72 0.00 0.00 -5.03 105.19 109.58 1wpq n GLY 267 Ca -0.28 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 1wpq n GLY 267 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wpq s GLY 268 N -1.36 1.48 0.30 -0.02 0.00 -0.36 -4.94 107.32 102.42 1wpq s GLY 268 Ca 0.13 -0.76 0.03 0.00 0.00 0.00 0.00 44.72 44.12 1wpq s GLY 268 CO -0.06 -0.61 1.78 3.21 0.00 0.00 0.00 173.10 177.41 1wpq h ARG 269 N 0.37 0.48 -0.44 2.90 3.08 -1.97 -2.29 114.38 116.53 1wpq h ARG 269 Ca -0.47 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 59.35 1wpq h ARG 269 Cb 1.22 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 1wpq h ARG 269 CO 0.61 0.63 -0.04 -0.91 -1.07 0.00 0.00 179.97 179.19 1wpq h ASN 270 N 0.44 0.71 -0.13 7.04 2.35 -1.92 -2.03 115.58 122.04 1wpq h ASN 270 Ca 0.08 -0.18 -0.03 0.00 -0.55 0.00 0.00 56.30 55.62 1wpq h ASN 270 Cb 0.54 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 1wpq h ASN 270 CO 0.03 0.80 -0.02 -0.09 -1.65 0.00 0.00 177.43 176.50 1wpq h ARG 271 N 0.68 0.24 -0.05 0.81 2.43 -1.61 0.80 114.38 117.69 1wpq h ARG 271 Ca 0.13 -0.09 0.03 0.00 -0.81 0.00 0.00 59.98 59.24 1wpq h ARG 271 Cb 0.48 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 1wpq h ARG 271 CO 0.02 0.53 -0.21 -0.22 -1.51 0.00 0.00 179.97 178.58 1wpq h LYS 272 N -0.06 -0.29 -0.58 0.20 3.64 -1.23 -0.63 116.57 117.62 1wpq h LYS 272 Ca 0.03 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 1wpq h LYS 272 Cb 0.43 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1wpq h LYS 272 CO 0.01 -0.20 0.04 0.28 -2.27 0.00 0.00 179.45 177.32 1wpq h VAL 273 N -0.31 1.25 -0.98 2.00 2.07 -1.38 -2.01 116.25 116.90 1wpq h VAL 273 Ca 0.07 -1.04 0.05 0.00 0.82 0.00 0.00 66.70 66.60 1wpq h VAL 273 Cb 0.41 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 1wpq h VAL 273 CO -0.22 0.38 0.64 0.00 0.02 0.00 0.00 177.57 178.38 1wpq h ALA 274 N 1.14 1.40 -0.11 1.67 0.00 -0.30 0.10 119.26 123.18 1wpq h ALA 274 Ca 0.17 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1wpq h ALA 274 Cb 0.46 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1wpq h ALA 274 CO 0.02 0.47 -0.09 1.49 0.00 0.00 0.00 179.25 181.15 1wpq h GLU 275 N 1.18 0.24 -0.56 0.00 4.81 -0.73 -1.91 114.58 117.61 1wpq h GLU 275 Ca 0.41 -0.12 0.03 0.00 -0.13 0.00 0.00 59.36 59.54 1wpq h GLU 275 Cb 0.10 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1wpq h GLU 275 CO -0.14 0.64 0.37 0.00 -0.73 0.00 0.00 179.01 179.15 1wpq h ALA 276 N 0.60 1.70 -0.44 2.92 0.00 -0.91 -1.11 119.26 122.02 1wpq h ALA 276 Ca 0.02 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1wpq h ALA 276 Cb 0.58 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1wpq h ALA 276 CO 0.02 0.24 -0.22 0.35 0.00 0.00 0.00 179.25 179.64 1wpq h PHE 277 N 0.66 1.02 0.00 0.00 3.57 -0.69 0.22 116.94 121.72 1wpq h PHE 277 Ca 0.22 -0.24 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 1wpq h PHE 277 Cb 0.07 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 1wpq h PHE 277 CO -0.00 1.02 -0.31 0.00 -2.23 0.00 0.00 178.31 176.79 1wpq h ALA 278 N 0.97 1.23 0.00 2.41 0.00 -0.41 -2.86 119.26 120.59 1wpq h ALA 278 Ca 0.10 -0.28 -0.25 0.00 0.00 0.00 0.00 54.91 54.49 1wpq h ALA 278 Cb 0.77 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1wpq h ALA 278 CO 0.06 0.38 -1.41 0.54 0.00 0.00 0.00 179.25 178.82 1wpq n ARG 279 N -3.79 0.56 0.10 0.00 1.74 -0.59 -4.71 116.66 109.97 1wpq n ARG 279 Ca -0.01 0.51 -0.23 0.00 -0.77 0.00 0.00 57.85 57.34 1wpq n ARG 279 Cb 0.40 -1.69 -0.15 0.00 -1.02 0.00 0.00 32.46 29.99 1wpq n ARG 279 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1wpq h THR 280 N -1.00 1.23 0.00 0.55 1.35 -0.69 -3.48 112.91 110.87 1wpq h THR 280 Ca -0.37 -2.61 0.00 0.00 -0.55 0.00 0.00 66.41 62.88 1wpq h THR 280 Cb 1.27 2.99 0.00 0.00 -1.73 0.00 0.00 68.15 70.69 1wpq h THR 280 CO -0.22 0.79 0.00 0.61 -0.25 0.00 0.00 175.52 176.45 1wpq n GLY 281 N 1.74 0.75 3.75 5.82 0.00 -1.08 -5.05 105.19 111.13 1wpq n GLY 281 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 1wpq n GLY 281 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wpq s LYS 282 N -0.47 1.51 0.58 1.61 1.02 -1.26 -4.99 119.74 117.73 1wpq s LYS 282 Ca 0.00 0.69 -0.17 0.00 0.02 0.00 0.00 55.97 56.51 1wpq s LYS 282 Cb 0.00 -1.85 -0.04 0.00 -0.52 0.00 0.00 37.83 35.42 1wpq s LYS 282 CO 0.00 -2.04 1.08 -1.54 -0.92 0.00 0.00 175.35 171.94 1wpq s SER 283 N -3.66 5.72 0.16 2.83 1.04 -1.26 -4.85 113.70 113.69 1wpq s SER 283 Ca 0.63 1.97 -0.15 0.00 0.48 0.00 0.00 55.95 58.87 1wpq s SER 283 Cb -0.16 -2.55 0.07 0.00 0.10 0.00 0.00 66.02 63.47 1wpq s SER 283 CO 0.56 -1.21 1.78 0.40 0.98 0.00 0.00 173.24 175.75 1wpq h ILE 284 N 0.75 0.98 -0.54 -1.02 2.04 -1.94 -0.07 117.51 117.70 1wpq h ILE 284 Ca -0.48 -0.15 0.09 0.00 1.00 0.00 0.00 64.86 65.32 1wpq h ILE 284 Cb 1.24 0.52 -0.07 0.00 -0.74 0.00 0.00 36.82 37.77 1wpq h ILE 284 CO 0.57 0.08 0.16 -0.08 0.00 0.00 0.00 178.15 178.88 1wpq h GLU 285 N 0.42 0.31 -0.40 2.37 4.81 -1.98 0.32 114.58 120.45 1wpq h GLU 285 Ca 0.17 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.29 1wpq h GLU 285 Cb 0.07 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1wpq h GLU 285 CO -0.12 0.21 -0.15 0.37 -0.73 0.00 0.00 179.01 178.59 1wpq h GLN 286 N 0.32 0.73 -0.37 1.92 4.15 -1.78 -2.27 115.11 117.82 1wpq h GLN 286 Ca 0.27 -0.26 -0.15 0.00 0.77 0.00 0.00 58.65 59.28 1wpq h GLN 286 Cb 0.35 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 1wpq h GLN 286 CO -0.31 0.84 -0.37 -0.07 -1.93 0.00 0.00 178.83 176.99 1wpq h LEU 287 N 0.66 0.94 -0.92 -2.39 3.38 -0.07 -0.44 115.31 116.48 1wpq h LEU 287 Ca 0.11 -0.42 0.06 0.00 0.09 0.00 0.00 57.88 57.71 1wpq h LEU 287 Cb 0.62 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 1wpq h LEU 287 CO 0.04 1.21 0.58 -0.08 0.09 0.00 0.00 178.44 180.28 1wpq h GLU 288 N 0.73 1.04 -0.13 1.13 4.81 -0.16 0.12 114.58 122.12 1wpq h GLU 288 Ca 0.06 -0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 1wpq h GLU 288 Cb 0.95 -0.24 0.01 0.00 0.63 0.00 0.00 28.75 30.11 1wpq h GLU 288 CO 0.09 0.69 -0.59 -0.22 -0.73 0.00 0.00 179.01 178.25 1wpq h LYS 289 N 1.07 0.63 0.00 1.92 3.64 -1.18 -2.64 116.57 120.01 1wpq h LYS 289 Ca 0.39 -0.50 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 1wpq h LYS 289 Cb 0.13 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1wpq h LYS 289 CO -0.16 1.13 -0.16 0.93 -2.27 0.00 0.00 179.45 178.91 1wpq h GLU 290 N 0.28 0.00 0.00 1.90 5.08 -0.58 -3.38 114.58 117.89 1wpq h GLU 290 Ca -0.04 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.12 1wpq h GLU 290 Cb 1.23 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.44 1wpq h GLU 290 CO 0.12 0.16 -1.78 1.28 -1.00 0.00 0.00 179.01 177.80 1wpq n LEU 291 N -3.22 1.56 -1.53 1.33 4.77 0.36 -4.74 117.00 115.53 1wpq n LEU 291 Ca 0.02 -0.04 0.08 0.00 -0.03 0.00 0.00 56.01 56.03 1wpq n LEU 291 Cb 0.48 -0.13 0.33 0.00 -2.33 0.00 0.00 43.42 41.77 1wpq n LEU 291 CO 0.33 0.52 0.77 0.18 -1.33 0.00 0.00 177.39 177.86 1wpq n LEU 292 N -2.67 4.53 -3.82 2.23 4.77 -1.00 -4.97 117.00 116.07 1wpq n LEU 292 Ca -0.22 -2.29 -0.22 0.00 -0.03 0.00 0.00 56.01 53.26 1wpq n LEU 292 Cb 0.81 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1wpq n LEU 292 CO 0.18 0.68 -0.10 -3.20 -1.33 0.00 0.00 177.39 173.62 1wpq n ASN 293 N 0.84 -1.58 0.00 -1.43 5.15 -1.26 0.10 115.26 117.08 1wpq n ASN 293 Ca 0.23 -0.63 0.00 0.00 -0.60 0.00 0.00 54.58 53.58 1wpq n ASN 293 Cb 0.89 -0.76 0.00 0.00 -0.53 0.00 0.00 39.78 39.38 1wpq n ASN 293 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wpq n GLY 294 N -1.54 2.90 3.70 8.20 0.00 -1.26 -4.91 105.19 112.27 1wpq n GLY 294 Ca -0.07 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 1wpq n GLY 294 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wpq s GLN 295 N 0.00 1.54 -0.10 1.61 -0.21 0.11 -5.02 119.66 117.59 1wpq s GLN 295 Ca 0.00 1.68 0.02 0.00 0.02 0.00 0.00 55.36 57.08 1wpq s GLN 295 Cb 0.00 -1.77 -0.02 0.00 1.00 0.00 0.00 33.01 32.22 1wpq s GLN 295 CO 0.00 -2.27 -0.15 0.15 -2.12 0.00 0.00 175.29 170.89 1wpq s LYS 296 N -4.28 3.07 0.19 2.91 -0.14 -1.26 -4.81 119.74 115.41 1wpq s LYS 296 Ca 0.71 -0.73 -0.25 0.00 -1.36 0.00 0.00 55.97 54.34 1wpq s LYS 296 Cb -0.27 -2.50 -0.08 0.00 -1.68 0.00 0.00 37.83 33.30 1wpq s LYS 296 CO 0.52 0.32 0.80 -0.51 -0.76 0.00 0.00 175.35 175.73 1wpq s LEU 297 N 0.04 4.56 -0.01 3.17 1.43 -1.26 -4.95 118.68 121.66 1wpq s LEU 297 Ca -0.06 1.68 0.11 0.00 -1.03 0.00 0.00 54.13 54.83 1wpq s LEU 297 Cb -0.15 -3.42 -0.15 0.00 0.03 0.00 0.00 46.19 42.51 1wpq s LEU 297 CO 0.05 0.17 0.34 0.00 0.23 0.00 0.00 176.35 177.13 1wpq n GLN 298 N 1.41 1.74 0.37 1.70 1.13 -1.26 -4.73 117.38 117.75 1wpq n GLN 298 Ca -0.04 -0.06 -0.15 0.00 -1.94 0.00 0.00 57.00 54.81 1wpq n GLN 298 Cb 0.49 -1.15 -0.07 0.00 0.11 0.00 0.00 30.24 29.62 1wpq n GLN 298 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1wpq h GLY 299 N 2.25 -1.01 0.53 1.08 0.00 -1.91 -2.52 103.07 101.48 1wpq h GLY 299 Ca 0.00 0.37 0.09 0.00 0.00 0.00 0.00 47.33 47.79 1wpq h GLY 299 CO 0.00 -0.37 0.41 -2.55 0.00 0.00 0.00 176.54 174.03 1wpq h PRO 300 N -1.13 0.68 -0.19 4.80 0.11 -1.87 -1.35 132.00 133.06 1wpq h PRO 300 Ca -0.10 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.90 1wpq h PRO 300 Cb 0.74 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 1wpq h PRO 300 CO 0.16 0.45 -0.21 1.05 -0.21 0.00 0.00 178.00 179.24 1wpq h GLU 301 N 0.70 0.33 -0.53 1.05 4.11 -1.85 -1.36 114.58 117.02 1wpq h GLU 301 Ca 0.36 -0.10 -0.11 0.00 0.07 0.00 0.00 59.36 59.58 1wpq h GLU 301 Cb 0.34 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1wpq h GLU 301 CO -0.25 0.53 -0.10 1.15 0.07 0.00 0.00 179.01 180.42 1wpq h THR 302 N 0.30 1.27 -0.62 -1.06 2.02 -0.84 -1.23 112.91 112.75 1wpq h THR 302 Ca 0.05 -1.24 -0.05 0.00 0.77 0.00 0.00 66.41 65.94 1wpq h THR 302 Cb 0.55 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 1wpq h THR 302 CO 0.04 0.44 0.19 0.00 0.37 0.00 0.00 175.52 176.55 1wpq h ALA 303 N 0.99 0.82 -0.58 6.16 0.00 -0.84 0.40 119.26 126.21 1wpq h ALA 303 Ca 0.14 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1wpq h ALA 303 Cb 0.65 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1wpq h ALA 303 CO 0.05 0.49 0.39 -0.09 0.00 0.00 0.00 179.25 180.08 1wpq h ARG 304 N 0.89 0.53 -0.00 0.00 2.43 -0.81 -1.12 114.38 116.30 1wpq h ARG 304 Ca 0.20 -0.03 -0.23 0.00 -0.81 0.00 0.00 59.98 59.10 1wpq h ARG 304 Cb 0.30 -0.12 0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1wpq h ARG 304 CO -0.01 0.35 -0.91 0.93 -1.51 0.00 0.00 179.97 178.82 1wpq h GLU 305 N 0.54 0.62 -0.75 0.20 4.39 -0.13 -2.91 114.58 116.55 1wpq h GLU 305 Ca 0.25 -0.67 -0.02 0.00 0.34 0.00 0.00 59.36 59.27 1wpq h GLU 305 Cb 0.30 0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 1wpq h GLU 305 CO -0.07 1.27 0.40 -0.07 -1.16 0.00 0.00 179.01 179.37 1wpq h LEU 306 N 0.26 0.93 -0.49 1.33 3.38 -0.36 -1.01 115.31 119.35 1wpq h LEU 306 Ca -0.11 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.80 1wpq h LEU 306 Cb 1.58 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 42.06 1wpq h LEU 306 CO 0.18 0.76 0.28 0.22 0.09 0.00 0.00 178.44 179.97 1wpq h TYR 307 N 1.05 0.52 -0.31 1.13 3.20 -1.23 0.68 116.97 122.00 1wpq h TYR 307 Ca 0.26 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.15 1wpq h TYR 307 Cb 0.04 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 1wpq h TYR 307 CO 0.01 0.29 0.19 1.03 -1.64 0.00 0.00 178.16 178.03 1wpq h SER 308 N 0.55 0.37 0.47 -2.11 0.87 -1.17 0.14 113.55 112.67 1wpq h SER 308 Ca 0.20 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 1wpq h SER 308 Cb 0.05 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1wpq h SER 308 CO -0.10 0.31 -0.22 0.40 -0.53 0.00 0.00 176.83 176.69 1wpq h ILE 309 N 0.39 0.54 -0.94 2.23 2.04 -0.81 -2.66 117.51 118.30 1wpq h ILE 309 Ca 0.11 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 1wpq h ILE 309 Cb 0.01 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 36.63 1wpq h ILE 309 CO -0.02 0.02 0.56 -0.07 0.00 0.00 0.00 178.15 178.63 1wpq h LEU 310 N -0.68 1.14 -0.03 1.44 3.38 -0.81 -1.54 115.31 118.20 1wpq h LEU 310 Ca -0.06 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1wpq h LEU 310 Cb 0.51 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1wpq h LEU 310 CO 0.11 0.88 0.00 0.00 0.09 0.00 0.00 178.44 179.52 1wpq n GLN 311 N -4.35 0.01 0.03 1.13 -0.00 0.47 0.28 117.38 114.95 1wpq n GLN 311 Ca 0.10 0.26 0.11 0.00 -0.00 0.00 0.00 57.00 57.47 1wpq n GLN 311 Cb 0.07 -1.52 0.01 0.00 -0.00 0.00 0.00 30.24 28.80 1wpq n GLN 311 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1wpq n HIS 312 N -1.54 0.30 0.54 2.61 8.25 -0.60 -3.88 115.22 120.91 1wpq n HIS 312 Ca 0.03 0.09 0.06 0.00 -0.26 0.00 0.00 57.72 57.64 1wpq n HIS 312 Cb 0.17 -0.47 -0.01 0.00 1.12 0.00 0.00 29.99 30.81 1wpq n HIS 312 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1wpq n LYS 313 N -2.02 2.00 -2.86 -0.41 4.76 -0.38 -4.99 118.16 114.26 1wpq n LYS 313 Ca 0.02 -0.64 -0.14 0.00 -2.87 0.00 0.00 58.31 54.68 1wpq n LYS 313 Cb 0.45 -1.15 0.03 0.00 -1.84 0.00 0.00 35.03 32.52 1wpq n LYS 313 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wpq n GLY 314 N 1.00 -0.00 0.44 0.72 0.00 0.14 -4.94 105.19 102.56 1wpq n GLY 314 Ca 0.05 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.94 1wpq n GLY 314 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wpq n LEU 315 N -2.75 2.47 0.02 0.99 4.77 -0.09 -4.74 117.00 117.68 1wpq n LEU 315 Ca -0.04 -3.49 0.13 0.00 -0.03 0.00 0.00 56.01 52.58 1wpq n LEU 315 Cb 0.56 -0.46 0.59 0.00 -2.33 0.00 0.00 43.42 41.77 1wpq n LEU 315 CO 0.32 1.11 1.16 0.58 -1.33 0.00 0.00 177.39 179.23 1wpq h VAL 316 N 0.99 0.88 0.00 4.08 2.07 -1.93 -0.22 116.25 122.12 1wpq h VAL 316 Ca -0.01 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1wpq h VAL 316 Cb 1.04 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1wpq h VAL 316 CO 0.00 0.04 0.00 -0.90 0.02 0.00 0.00 177.57 176.73 1wpq n ASP 317 N -4.46 0.00 0.08 0.57 3.85 -1.26 -3.65 116.55 111.68 1wpq n ASP 317 Ca 0.07 -0.09 0.12 0.00 -0.71 0.00 0.00 54.79 54.17 1wpq n ASP 317 Cb 0.37 -0.29 0.22 0.00 -1.35 0.00 0.00 41.12 40.07 1wpq n ASP 317 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.20 176.30 1wpq h LYS 318 N 0.00 0.00 -2.65 0.11 1.79 -1.40 -3.40 116.57 111.03 1wpq h LYS 318 Ca 0.00 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.87 1wpq h LYS 318 Cb 0.26 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.50 1wpq h LYS 318 CO 0.00 0.00 -0.77 1.19 -1.08 0.00 0.00 179.45 178.79 1wpq n PHE 319 N -2.22 1.36 -0.11 -1.35 3.01 -1.24 -4.99 117.46 111.92 1wpq n PHE 319 Ca 0.04 -3.84 -0.08 0.00 1.01 0.00 0.00 57.45 54.58 1wpq n PHE 319 Cb 0.45 -0.24 -0.01 0.00 -0.01 0.00 0.00 39.48 39.66 1wpq n PHE 319 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1wpq h PRO 320 N 5.28 -0.25 0.43 -1.08 0.11 -1.82 -1.01 132.00 133.68 1wpq h PRO 320 Ca 0.20 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.30 1wpq h PRO 320 Cb 0.82 0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1wpq h PRO 320 CO 0.57 -0.16 -0.21 1.25 -0.21 0.00 0.00 178.00 179.24 1wpq h LEU 321 N -0.25 -0.49 -0.29 2.35 6.46 -1.94 0.26 115.31 121.39 1wpq h LEU 321 Ca 0.17 -0.02 0.05 0.00 -0.12 0.00 0.00 57.88 57.96 1wpq h LEU 321 Cb 0.53 0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 40.54 1wpq h LEU 321 CO -0.52 -0.29 -0.00 -0.26 -0.62 0.00 0.00 178.44 176.74 1wpq h PHE 322 N -0.66 -0.02 0.00 1.25 0.05 -1.91 -0.08 116.94 115.57 1wpq h PHE 322 Ca -0.06 0.02 -0.05 0.00 3.82 0.00 0.00 57.97 61.70 1wpq h PHE 322 Cb 0.49 0.05 -0.01 0.00 2.00 0.00 0.00 35.95 38.48 1wpq h PHE 322 CO -0.03 -0.05 -0.25 0.52 -0.18 0.00 0.00 178.31 178.31 1wpq h MET 323 N 0.08 0.00 -0.27 1.51 2.86 -1.12 -0.26 114.93 117.74 1wpq h MET 323 Ca 0.14 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.59 1wpq h MET 323 Cb 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 1wpq h MET 323 CO -0.24 0.25 -0.57 0.00 1.06 0.00 0.00 176.91 177.41 1wpq h ALA 324 N 1.75 0.48 -0.20 6.32 0.00 0.29 0.17 119.26 128.06 1wpq h ALA 324 Ca -0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1wpq h ALA 324 Cb 0.66 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1wpq h ALA 324 CO 0.03 0.68 0.08 0.28 0.00 0.00 0.00 179.25 180.32 1wpq h VAL 325 N 0.64 1.16 -0.56 0.00 2.07 -0.47 -1.41 116.25 117.67 1wpq h VAL 325 Ca 0.01 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1wpq h VAL 325 Cb 1.18 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 1wpq h VAL 325 CO 0.12 0.16 0.32 0.22 0.02 0.00 0.00 177.57 178.42 1wpq h TYR 326 N 0.16 0.75 -0.30 1.57 3.20 -0.94 -1.48 116.97 119.94 1wpq h TYR 326 Ca 0.07 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.82 1wpq h TYR 326 Cb 0.18 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 1wpq h TYR 326 CO -0.01 0.54 -0.26 0.87 -1.64 0.00 0.00 178.16 177.66 1wpq h LYS 327 N 0.75 0.59 -0.13 1.82 1.57 -0.52 0.13 116.57 120.78 1wpq h LYS 327 Ca 0.20 -0.24 -0.17 0.00 -1.87 0.00 0.00 60.65 58.58 1wpq h LYS 327 Cb 0.02 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1wpq h LYS 327 CO -0.03 0.80 -0.62 0.28 -0.57 0.00 0.00 179.45 179.31 1wpq h VAL 328 N 0.52 1.35 -0.11 0.50 2.07 -1.13 0.13 116.25 119.57 1wpq h VAL 328 Ca 0.07 -1.92 -0.22 0.00 0.82 0.00 0.00 66.70 65.45 1wpq h VAL 328 Cb 0.72 1.91 0.01 0.00 -1.52 0.00 0.00 31.29 32.41 1wpq h VAL 328 CO 0.06 0.59 -0.81 0.00 0.02 0.00 0.00 177.57 177.42 1wpq n TYR 330 N -3.89 0.00 0.36 0.00 4.02 0.42 -4.80 117.16 113.27 1wpq n TYR 330 Ca -0.07 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.93 1wpq n TYR 330 Cb 0.76 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.97 1wpq n TYR 330 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1wpq n GLU 331 N -1.27 0.42 -0.25 -0.72 1.02 0.40 -4.98 120.64 115.27 1wpq n GLU 331 Ca 0.00 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1wpq n GLU 331 Cb 0.00 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 1wpq n GLU 331 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wpq n GLY 332 N 1.34 0.86 3.74 0.62 0.00 -0.88 -5.03 105.19 105.84 1wpq n GLY 332 Ca -0.01 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 1wpq n GLY 332 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wpq s GLN 333 N -0.63 4.26 0.27 1.61 0.74 -1.09 -4.91 119.66 119.92 1wpq s GLN 333 Ca 0.00 2.31 -0.30 0.00 0.05 0.00 0.00 55.36 57.41 1wpq s GLN 333 Cb 0.00 -3.11 -0.13 0.00 1.10 0.00 0.00 33.01 30.87 1wpq s GLN 333 CO 0.00 -0.44 1.45 -2.30 -0.55 0.00 0.00 175.29 173.46 1wpq n PRO 334 N 2.44 2.27 0.05 1.67 -0.02 -1.26 -4.46 135.00 135.70 1wpq n PRO 334 Ca 0.07 0.81 0.01 0.00 -2.02 0.00 0.00 63.50 62.37 1wpq n PRO 334 Cb 0.40 -2.50 0.34 0.00 -0.02 0.00 0.00 33.50 31.73 1wpq n PRO 334 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1wpq h VAL 335 N 3.07 1.18 -0.20 -1.45 3.04 -1.92 -2.18 116.25 117.79 1wpq h VAL 335 Ca -0.46 -0.76 0.06 0.00 -1.01 0.00 0.00 66.70 64.53 1wpq h VAL 335 Cb 1.26 1.04 -0.01 0.00 -2.01 0.00 0.00 31.29 31.57 1wpq h VAL 335 CO 0.75 0.25 0.25 1.23 -1.01 0.00 0.00 177.57 179.03 1wpq h GLY 336 N 0.78 0.00 0.85 3.17 0.00 -1.95 -0.14 103.07 105.78 1wpq h GLY 336 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1wpq h GLY 336 CO 0.01 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.73 1wpq n GLU 337 N -3.68 0.89 -0.13 4.80 1.02 -0.82 -4.00 120.64 118.72 1wpq n GLU 337 Ca 0.02 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.05 1wpq n GLU 337 Cb 0.37 -1.43 -0.02 0.00 -0.02 0.00 0.00 31.44 30.34 1wpq n GLU 337 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1wpq h PHE 338 N 0.00 0.78 -0.43 -0.32 3.57 -1.18 -2.80 116.94 116.55 1wpq h PHE 338 Ca 0.00 -0.15 0.13 0.00 3.53 0.00 0.00 57.97 61.48 1wpq h PHE 338 Cb 0.00 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 1wpq h PHE 338 CO 0.00 0.81 0.32 0.82 -2.23 0.00 0.00 178.31 178.03 1wpq h ILE 339 N 0.51 0.76 0.00 1.41 1.08 -1.81 -0.38 117.51 119.08 1wpq h ILE 339 Ca 0.10 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.57 1wpq h ILE 339 Cb 0.53 0.78 -0.00 0.00 -3.07 0.00 0.00 36.82 35.06 1wpq h ILE 339 CO 0.03 0.00 -0.02 -0.74 -0.69 0.00 0.00 178.15 176.73 1wpq h HIS 340 N 0.00 0.00 0.00 1.37 2.76 -1.76 0.38 115.15 117.90 1wpq h HIS 340 Ca 0.21 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.38 1wpq h HIS 340 Cb 0.84 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.80 1wpq h HIS 340 CO 0.00 0.02 -0.12 0.00 -1.30 0.00 0.00 177.93 176.53 1wpq n LEU 342 N -1.80 1.90 -0.19 0.00 4.77 -0.03 -3.08 117.00 118.57 1wpq n LEU 342 Ca 0.06 0.40 0.14 0.00 -0.03 0.00 0.00 56.01 56.58 1wpq n LEU 342 Cb 0.38 -0.95 0.47 0.00 -2.33 0.00 0.00 43.42 41.00 1wpq n LEU 342 CO 0.30 0.34 1.21 1.56 -1.33 0.00 0.00 177.39 179.47 1wpq h GLN 343 N -0.97 0.47 -0.51 3.23 4.20 -1.20 -0.71 115.11 119.61 1wpq h GLN 343 Ca -0.41 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1wpq h GLN 343 Cb 1.38 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 29.05 1wpq h GLN 343 CO -0.24 0.31 0.00 0.09 -0.67 0.00 0.00 178.83 178.32 1wpq n ASN 344 N -4.50 3.92 -4.76 1.46 3.02 -1.11 -5.00 115.26 108.30 1wpq n ASN 344 Ca 0.15 -2.31 -0.40 0.00 -0.03 0.00 0.00 54.58 51.99 1wpq n ASN 344 Cb 0.51 -0.45 -0.03 0.00 -0.61 0.00 0.00 39.78 39.19 1wpq n ASN 344 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1wpq s HIS 345 N -1.57 3.32 0.82 3.10 2.46 -0.28 -4.99 115.29 118.15 1wpq s HIS 345 Ca 0.41 1.59 -0.13 0.00 0.47 0.00 0.00 55.06 57.40 1wpq s HIS 345 Cb 0.25 -3.41 0.09 0.00 -0.13 0.00 0.00 32.58 29.38 1wpq s HIS 345 CO 0.21 -1.06 1.20 -1.25 -2.47 0.00 0.00 174.74 171.37 1wpq s PRO 346 N -1.75 1.57 0.25 2.88 0.04 -1.26 -4.93 135.00 131.79 1wpq s PRO 346 Ca 0.49 1.73 0.18 0.00 0.04 0.00 0.00 61.00 63.44 1wpq s PRO 346 Cb -0.33 -1.77 0.06 0.00 0.04 0.00 0.00 34.50 32.49 1wpq s PRO 346 CO 0.43 -2.26 1.28 0.93 0.04 0.00 0.00 177.00 177.42 1wpq h GLU 347 N -1.01 0.00 -3.15 4.56 5.08 -1.99 -3.47 114.58 114.60 1wpq h GLU 347 Ca -0.46 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.79 1wpq h GLU 347 Cb 1.29 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.35 1wpq h GLU 347 CO 0.46 0.31 -0.29 -1.01 -1.00 0.00 0.00 179.01 177.48 1wpq s HIS 348 N -3.04 -0.14 0.00 4.33 3.76 -1.26 -5.16 115.29 113.78 1wpq s HIS 348 Ca 0.02 0.14 0.00 0.00 -0.15 0.00 0.00 55.06 55.08 1wpq s HIS 348 Cb 0.08 0.08 0.00 0.00 1.11 0.00 0.00 32.58 33.85 1wpq s HIS 348 CO 0.75 -0.41 0.04 -1.33 -0.85 0.00 0.00 174.74 172.94