#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dke s LEU 6 N 0.00 0.04 0.41 0.64 2.01 -1.26 -5.16 118.68 115.36 2dke s LEU 6 Ca 0.00 -1.57 0.04 0.00 0.01 0.00 0.00 54.13 52.61 2dke s LEU 6 Cb 0.00 0.45 0.00 0.00 0.01 0.00 0.00 46.19 46.66 2dke s LEU 6 CO 0.00 -0.28 0.59 -0.94 1.01 0.00 0.00 176.35 176.73 2dke s SER 7 N 1.47 5.77 -0.19 2.29 1.04 -1.26 -5.00 113.70 117.83 2dke s SER 7 Ca 0.16 -0.09 0.16 0.00 0.48 0.00 0.00 55.95 56.66 2dke s SER 7 Cb -0.16 -1.14 0.78 0.00 0.10 0.00 0.00 66.02 65.60 2dke s SER 7 CO -0.06 -0.67 1.70 0.18 0.98 0.00 0.00 173.24 175.37 2dke n LEU 8 N -1.90 5.37 0.25 2.42 4.32 -1.26 -4.53 117.00 121.66 2dke n LEU 8 Ca 0.03 -2.72 0.14 0.00 -0.02 0.00 0.00 56.01 53.44 2dke n LEU 8 Cb 0.58 -0.65 0.55 0.00 -1.62 0.00 0.00 43.42 42.28 2dke n LEU 8 CO 0.43 0.70 0.90 0.71 -1.22 0.00 0.00 177.39 178.91 2dke h THR 9 N 4.04 0.24 -0.90 -5.08 1.35 -2.04 -2.96 112.91 107.56 2dke h THR 9 Ca 0.00 -0.81 -0.51 0.00 -0.55 0.00 0.00 66.41 64.54 2dke h THR 9 Cb 1.78 1.66 -0.28 0.00 -1.73 0.00 0.00 68.15 69.58 2dke h THR 9 CO 0.39 0.10 0.55 0.59 -0.25 0.00 0.00 175.52 176.91 2dke n ASN 10 N -3.22 4.53 -4.74 5.36 3.02 -1.26 -4.95 115.26 113.99 2dke n ASN 10 Ca 0.01 -3.68 -0.38 0.00 -0.03 0.00 0.00 54.58 50.49 2dke n ASN 10 Cb 0.38 -0.83 -0.06 0.00 -0.61 0.00 0.00 39.78 38.66 2dke n ASN 10 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2dke s SER 11 N -1.68 6.73 0.00 6.41 0.15 -1.12 -4.98 113.70 119.22 2dke s SER 11 Ca 0.57 0.87 0.27 0.00 0.70 0.00 0.00 55.95 58.36 2dke s SER 11 Cb 0.47 -2.29 0.90 0.00 -1.71 0.00 0.00 66.02 63.39 2dke s SER 11 CO 0.06 0.05 1.66 -1.54 1.20 0.00 0.00 173.24 174.68 2dke n SER 12 N 3.33 0.56 -0.10 5.45 3.41 -1.26 -4.05 113.62 120.96 2dke n SER 12 Ca -0.08 -0.41 -0.12 0.00 -0.26 0.00 0.00 58.87 58.00 2dke n SER 12 Cb 0.52 0.02 -0.13 0.00 -0.26 0.00 0.00 64.21 64.35 2dke n SER 12 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2dke n LEU 13 N -1.11 1.06 -0.36 1.04 4.77 -1.26 -4.59 117.00 116.55 2dke n LEU 13 Ca 0.10 -0.05 0.27 0.00 -0.03 0.00 0.00 56.01 56.31 2dke n LEU 13 Cb 0.32 0.00 0.52 0.00 -2.33 0.00 0.00 43.42 41.93 2dke n LEU 13 CO 0.28 0.62 1.16 0.24 -1.33 0.00 0.00 177.39 178.36 2dke h MET 14 N 0.00 0.26 0.00 3.23 2.86 -1.92 0.31 114.93 119.67 2dke h MET 14 Ca -0.52 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.02 2dke h MET 14 Cb 2.04 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 33.63 2dke h MET 14 CO -0.01 0.17 -0.42 -1.35 1.06 0.00 0.00 176.91 176.37 2dke h PRO 15 N 0.27 0.00 -0.00 -0.22 0.11 -1.81 -3.24 132.00 127.11 2dke h PRO 15 Ca 0.74 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.85 2dke h PRO 15 Cb 1.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.98 2dke h PRO 15 CO -0.53 0.42 -0.81 0.25 -0.21 0.00 0.00 178.00 177.12 2dke n THR 16 N -3.93 0.00 -2.36 -1.15 -2.24 0.90 -4.97 114.28 100.52 2dke n THR 16 Ca -0.02 -0.10 -0.36 0.00 -2.27 0.00 0.00 64.05 61.31 2dke n THR 16 Cb 0.46 1.04 -0.02 0.00 -2.10 0.00 0.00 70.33 69.71 2dke n THR 16 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2dke s LEU 17 N -2.79 3.99 0.18 3.22 1.43 -0.15 -4.96 118.68 119.60 2dke s LEU 17 Ca 0.09 2.18 -0.33 0.00 -1.03 0.00 0.00 54.13 55.04 2dke s LEU 17 Cb 0.15 -4.31 -0.15 0.00 0.03 0.00 0.00 46.19 41.90 2dke s LEU 17 CO 0.73 -0.84 1.22 -3.20 0.23 0.00 0.00 176.35 174.49 2dke n ASN 18 N -0.55 1.64 -0.32 2.29 2.85 -1.26 -4.72 115.26 115.18 2dke n ASN 18 Ca 0.08 1.14 0.35 0.00 -0.11 0.00 0.00 54.58 56.04 2dke n ASN 18 Cb 0.49 -1.26 0.75 0.00 1.24 0.00 0.00 39.78 41.01 2dke n ASN 18 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2dke h PRO 19 N 3.60 0.01 -0.05 1.20 0.11 -1.95 -0.73 132.00 134.18 2dke h PRO 19 Ca -0.44 -0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.44 2dke h PRO 19 Cb 1.33 -0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.45 2dke h PRO 19 CO 0.72 0.00 -0.92 1.98 -0.21 0.00 0.00 178.00 179.57 2dke h MET 20 N 0.01 0.63 -0.41 1.05 4.05 -1.97 -2.00 114.93 116.28 2dke h MET 20 Ca 0.57 -0.61 -0.08 0.00 -0.28 0.00 0.00 59.70 59.30 2dke h MET 20 Cb 2.27 0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 33.20 2dke h MET 20 CO -0.01 1.22 -0.07 0.82 0.23 0.00 0.00 176.91 179.10 2dke h ILE 21 N 0.38 1.24 -0.13 1.77 2.04 -1.51 0.41 117.51 121.71 2dke h ILE 21 Ca -0.09 -1.05 -0.00 0.00 1.00 0.00 0.00 64.86 64.72 2dke h ILE 21 Cb 1.55 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 2dke h ILE 21 CO 0.18 0.36 0.08 1.56 0.00 0.00 0.00 178.15 180.32 2dke h GLN 22 N 0.64 0.18 -0.70 2.37 4.20 -1.26 -0.29 115.11 120.25 2dke h GLN 22 Ca 0.12 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 2dke h GLN 22 Cb 0.50 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.22 2dke h GLN 22 CO 0.03 0.17 0.23 1.96 -0.67 0.00 0.00 178.83 180.55 2dke h GLN 23 N 0.13 1.06 0.53 1.46 4.20 -1.02 -0.46 115.11 121.02 2dke h GLN 23 Ca 0.05 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.52 2dke h GLN 23 Cb 0.04 -0.16 0.01 0.00 0.30 0.00 0.00 27.48 27.66 2dke h GLN 23 CO -0.01 0.89 -0.26 -0.07 -0.67 0.00 0.00 178.83 178.72 2dke h LEU 24 N 1.03 -0.61 -0.65 1.46 -0.00 -0.71 0.13 115.31 115.97 2dke h LEU 24 Ca 0.23 -0.06 0.14 0.00 -0.00 0.00 0.00 57.88 58.19 2dke h LEU 24 Cb 0.26 0.16 -0.12 0.00 -0.00 0.00 0.00 40.66 40.96 2dke h LEU 24 CO -0.01 -0.27 -0.07 0.00 -0.00 0.00 0.00 178.44 178.09 2dke h ALA 25 N -0.68 0.55 -0.73 1.53 0.00 -0.96 1.08 119.26 120.06 2dke h ALA 25 Ca -0.07 0.23 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2dke h ALA 25 Cb 0.62 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2dke h ALA 25 CO 0.12 -0.42 0.21 -0.07 0.00 0.00 0.00 179.25 179.10 2dke h LEU 26 N 0.06 1.08 -0.55 0.00 3.38 -1.03 0.11 115.31 118.35 2dke h LEU 26 Ca 0.33 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 2dke h LEU 26 Cb 0.53 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2dke h LEU 26 CO -0.61 1.01 -0.30 0.00 0.09 0.00 0.00 178.44 178.62 2dke h ALA 27 N 1.13 0.74 0.00 1.53 0.00 0.17 -1.35 119.26 121.48 2dke h ALA 27 Ca 0.23 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2dke h ALA 27 Cb 0.33 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2dke h ALA 27 CO -0.00 0.66 -0.29 0.82 0.00 0.00 0.00 179.25 180.43 2dke h ILE 28 N 0.71 0.65 0.23 0.00 2.04 0.14 -2.59 117.51 118.70 2dke h ILE 28 Ca 0.08 -1.37 -0.33 0.00 1.00 0.00 0.00 64.86 64.24 2dke h ILE 28 Cb 0.85 1.91 0.04 0.00 -0.74 0.00 0.00 36.82 38.88 2dke h ILE 28 CO 0.07 0.29 -1.45 0.00 0.00 0.00 0.00 178.15 177.06 2dke h ALA 29 N 1.71 -0.14 -0.83 1.87 0.00 -0.49 -2.56 119.26 118.82 2dke h ALA 29 Ca -0.00 -0.85 0.01 0.00 0.00 0.00 0.00 54.91 54.07 2dke h ALA 29 Cb 0.88 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 2dke h ALA 29 CO 0.04 0.70 0.55 0.00 0.00 0.00 0.00 179.25 180.54 2dke h ALA 30 N 0.19 1.41 0.12 0.00 0.00 -1.15 -2.22 119.26 117.60 2dke h ALA 30 Ca -0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2dke h ALA 30 Cb 2.13 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.59 2dke h ALA 30 CO 0.27 0.55 -0.06 1.03 0.00 0.00 0.00 179.25 181.04 2dke h SER 31 N 1.13 -0.14 0.79 0.00 0.87 -1.49 -3.23 113.55 111.48 2dke h SER 31 Ca 0.30 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2dke h SER 31 Cb -0.13 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 2dke h SER 31 CO -0.07 0.22 0.00 -0.50 -0.53 0.00 0.00 176.83 175.95 2dke h TRP 32 N -0.50 0.00 0.00 2.24 6.55 -1.27 -2.73 115.95 120.23 2dke h TRP 32 Ca -0.02 0.00 -0.04 0.00 0.95 0.00 0.00 58.89 59.79 2dke h TRP 32 Cb 0.41 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.70 2dke h TRP 32 CO 0.04 0.00 -0.17 1.96 -1.05 0.00 0.00 178.44 179.21 2dke h GLN 33 N 0.00 0.00 0.00 0.49 4.20 -1.42 -2.44 115.11 115.94 2dke h GLN 33 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2dke h GLN 33 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 2dke h GLN 33 CO 0.00 0.17 0.00 -1.13 -0.67 0.00 0.00 178.83 177.20 2dke n SER 34 N -3.16 0.21 -4.94 1.46 3.41 -1.03 -4.73 113.62 104.83 2dke n SER 34 Ca 0.03 0.54 -0.24 0.00 -0.26 0.00 0.00 58.87 58.94 2dke n SER 34 Cb 0.56 -0.59 -0.01 0.00 -0.26 0.00 0.00 64.21 63.91 2dke n SER 34 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2dke s LEU 35 N -3.43 4.06 -1.42 1.04 2.96 -0.92 -5.02 118.68 115.96 2dke s LEU 35 Ca 0.09 0.40 -0.09 0.00 -0.22 0.00 0.00 54.13 54.31 2dke s LEU 35 Cb 0.13 -3.25 0.06 0.00 0.50 0.00 0.00 46.19 43.63 2dke s LEU 35 CO 0.41 -0.25 2.41 -0.81 -1.32 0.00 0.00 176.35 176.78 2dke n PRO 36 N -1.68 3.90 -1.89 0.98 -0.04 -1.26 -4.99 135.00 130.01 2dke n PRO 36 Ca -0.05 -3.02 -0.41 0.00 -0.04 0.00 0.00 63.50 59.98 2dke n PRO 36 Cb 0.56 -2.83 -0.01 0.00 -0.04 0.00 0.00 33.50 31.18 2dke n PRO 36 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2dke s LEU 37 N -0.47 4.35 0.17 1.53 1.43 -1.26 -4.61 118.68 119.83 2dke s LEU 37 Ca 0.54 2.92 0.07 0.00 -1.03 0.00 0.00 54.13 56.63 2dke s LEU 37 Cb 0.16 -3.66 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 2dke s LEU 37 CO -0.06 -0.78 -0.14 -0.54 0.23 0.00 0.00 176.35 175.06 2dke s LYS 38 N -1.68 1.21 0.25 1.70 1.02 0.94 -4.93 119.74 118.25 2dke s LYS 38 Ca 0.54 -1.48 -0.30 0.00 0.02 0.00 0.00 55.97 54.75 2dke s LYS 38 Cb -0.45 -1.01 -0.09 0.00 -0.52 0.00 0.00 37.83 35.77 2dke s LYS 38 CO 0.57 0.17 1.09 -2.14 -0.92 0.00 0.00 175.35 174.12 2dke s PRO 39 N -3.39 4.65 0.01 -1.68 0.02 -1.26 -0.22 135.00 133.13 2dke s PRO 39 Ca 0.18 1.75 0.01 0.00 0.02 0.00 0.00 61.00 62.97 2dke s PRO 39 Cb -0.01 -3.22 -0.04 0.00 0.02 0.00 0.00 34.50 31.25 2dke s PRO 39 CO 0.05 0.20 0.03 -0.47 -0.33 0.00 0.00 177.00 176.48 2dke s TYR 40 N -0.89 3.14 -0.46 6.54 5.04 -0.91 -4.65 117.35 125.16 2dke s TYR 40 Ca 0.46 0.11 -0.15 0.00 -2.44 0.00 0.00 57.07 55.04 2dke s TYR 40 Cb -0.31 -1.67 0.06 0.00 0.35 0.00 0.00 41.96 40.39 2dke s TYR 40 CO 0.38 0.49 0.37 -1.14 -1.34 0.00 0.00 175.55 174.32 2dke s GLN 41 N -1.75 2.98 0.06 4.97 2.00 -1.26 -4.73 119.66 121.93 2dke s GLN 41 Ca 0.22 -1.26 0.01 0.00 -2.00 0.00 0.00 55.36 52.33 2dke s GLN 41 Cb -0.12 -4.09 -0.04 0.00 0.80 0.00 0.00 33.01 29.56 2dke s GLN 41 CO 0.13 -0.96 0.16 -0.51 -0.50 0.00 0.00 175.29 173.62 2dke s LEU 42 N 1.66 4.17 -0.32 3.68 1.43 -1.26 -5.01 118.68 123.03 2dke s LEU 42 Ca 0.04 0.18 -0.44 0.00 -1.03 0.00 0.00 54.13 52.88 2dke s LEU 42 Cb -0.23 -2.79 -0.20 0.00 0.03 0.00 0.00 46.19 43.00 2dke s LEU 42 CO 0.08 0.17 1.44 -2.65 0.23 0.00 0.00 176.35 175.62 2dke n PRO 43 N 0.36 0.09 -0.30 1.29 -0.02 -1.26 -4.78 135.00 130.38 2dke n PRO 43 Ca -0.06 0.03 0.07 0.00 -2.02 0.00 0.00 63.50 61.52 2dke n PRO 43 Cb 0.51 -1.55 0.15 0.00 -0.02 0.00 0.00 33.50 32.59 2dke n PRO 43 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2dke n GLU 44 N 3.27 -0.07 0.23 -0.52 0.00 -1.26 -0.36 120.64 121.91 2dke n GLU 44 Ca 0.27 1.32 0.07 0.00 0.00 0.00 0.00 57.16 58.82 2dke n GLU 44 Cb -0.00 -1.99 0.53 0.00 0.00 0.00 0.00 31.44 29.98 2dke n GLU 44 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.13 177.51 2dke h ASP 45 N 0.00 0.00 -0.14 -1.84 2.03 -1.93 -3.21 116.42 111.33 2dke h ASP 45 Ca 0.43 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.73 2dke h ASP 45 Cb 0.71 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.21 2dke h ASP 45 CO -0.86 0.21 0.00 0.18 -1.03 0.00 0.00 179.24 177.74 2dke n LEU 46 N -4.03 1.09 0.10 0.15 4.77 0.51 -3.94 117.00 115.65 2dke n LEU 46 Ca -0.02 -0.48 -0.05 0.00 -0.03 0.00 0.00 56.01 55.43 2dke n LEU 46 Cb 0.29 -0.09 0.07 0.00 -2.33 0.00 0.00 43.42 41.36 2dke n LEU 46 CO 0.35 0.24 0.37 1.23 -1.33 0.00 0.00 177.39 178.25 2dke h GLY 47 N 5.26 0.11 -6.92 -0.72 0.00 -1.62 -3.41 103.07 95.77 2dke h GLY 47 Ca 0.00 -0.17 -0.30 0.00 0.00 0.00 0.00 47.33 46.86 2dke h GLY 47 CO 0.00 0.15 -0.65 -0.47 0.00 0.00 0.00 176.54 175.57 2dke s TYR 48 N -3.39 -0.15 -0.04 5.60 5.04 -1.25 -1.98 117.35 121.19 2dke s TYR 48 Ca -0.02 0.55 0.05 0.00 -2.44 0.00 0.00 57.07 55.21 2dke s TYR 48 Cb 0.11 -0.28 -0.01 0.00 0.35 0.00 0.00 41.96 42.14 2dke s TYR 48 CO 0.80 -0.25 -0.17 0.54 -1.34 0.00 0.00 175.55 175.12 2dke s VAL 49 N 2.19 1.41 0.00 3.14 0.11 -0.74 -4.97 120.40 121.54 2dke s VAL 49 Ca 0.02 -0.72 0.02 0.00 -2.93 0.00 0.00 61.98 58.38 2dke s VAL 49 Cb -0.12 -1.21 -0.01 0.00 -1.53 0.00 0.00 36.38 33.51 2dke s VAL 49 CO -0.05 0.41 -0.08 -0.70 -3.33 0.00 0.00 175.10 171.34 2dke s GLU 50 N -0.05 0.62 0.03 1.54 2.12 -1.26 -0.70 118.70 120.99 2dke s GLU 50 Ca -0.02 -0.37 -0.02 0.00 0.36 0.00 0.00 54.97 54.92 2dke s GLU 50 Cb -0.10 -0.57 0.01 0.00 0.26 0.00 0.00 34.13 33.72 2dke s GLU 50 CO 0.02 0.15 0.12 0.41 -0.54 0.00 0.00 175.26 175.41 2dke n GLY 51 N 2.62 1.45 3.34 -1.50 0.00 -0.22 -4.98 105.19 105.90 2dke n GLY 51 Ca -0.15 -0.98 -0.26 0.00 0.00 0.00 0.00 46.02 44.63 2dke n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dke s ARG 52 N -2.01 1.26 -0.20 1.61 1.81 -1.26 -0.41 118.95 119.75 2dke s ARG 52 Ca 0.03 -1.26 -0.07 0.00 -1.72 0.00 0.00 55.73 52.70 2dke s ARG 52 Cb -0.00 -1.62 0.09 0.00 -0.45 0.00 0.00 34.95 32.96 2dke s ARG 52 CO 0.01 0.38 0.43 -1.17 -0.68 0.00 0.00 175.30 174.26 2dke s LEU 53 N -2.02 -0.62 -1.32 2.53 0.20 0.47 -4.54 118.68 113.38 2dke s LEU 53 Ca 0.10 1.00 -0.07 0.00 0.69 0.00 0.00 54.13 55.86 2dke s LEU 53 Cb -0.10 1.38 0.05 0.00 -0.43 0.00 0.00 46.19 47.09 2dke s LEU 53 CO 0.05 -0.23 0.45 -0.62 -0.29 0.00 0.00 176.35 175.72 2dke n GLU 54 N 5.31 -3.59 0.00 1.98 1.02 -1.26 -0.33 120.64 123.76 2dke n GLU 54 Ca -0.10 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 2dke n GLU 54 Cb 0.50 -5.32 0.00 0.00 -0.02 0.00 0.00 31.44 26.60 2dke n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dke n GLY 55 N -1.21 2.78 3.89 0.62 0.00 -1.26 -5.03 105.19 104.98 2dke n GLY 55 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 2dke n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dke s GLU 56 N -0.34 3.70 0.41 1.61 2.02 0.55 -5.03 118.70 121.61 2dke s GLU 56 Ca 0.00 0.09 -0.24 0.00 0.02 0.00 0.00 54.97 54.84 2dke s GLU 56 Cb 0.00 -2.71 -0.08 0.00 0.10 0.00 0.00 34.13 31.44 2dke s GLU 56 CO 0.00 0.34 1.11 0.21 0.02 0.00 0.00 175.26 176.94 2dke s LYS 57 N -2.95 4.07 -0.00 1.61 2.20 -1.26 -0.39 119.74 123.02 2dke s LYS 57 Ca 0.45 1.68 0.02 0.00 -0.36 0.00 0.00 55.97 57.76 2dke s LYS 57 Cb -0.11 -2.59 -0.01 0.00 -1.51 0.00 0.00 37.83 33.61 2dke s LYS 57 CO 0.24 -0.27 -0.08 -0.48 -0.36 0.00 0.00 175.35 174.41 2dke s LEU 58 N -2.62 2.04 0.01 5.43 0.05 0.45 -1.65 118.68 122.39 2dke s LEU 58 Ca 0.58 -0.18 -0.03 0.00 0.05 0.00 0.00 54.13 54.55 2dke s LEU 58 Cb -0.27 -0.38 -0.01 0.00 -2.05 0.00 0.00 46.19 43.49 2dke s LEU 58 CO 0.33 0.07 0.05 -0.69 -0.55 0.00 0.00 176.35 175.56 2dke s VAL 59 N -0.29 0.09 -0.00 1.48 1.01 -0.16 -1.05 120.40 121.48 2dke s VAL 59 Ca 0.02 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 2dke s VAL 59 Cb -0.04 -0.32 -0.00 0.00 0.00 0.00 0.00 36.38 36.02 2dke s VAL 59 CO -0.00 -0.41 0.03 -0.63 0.00 0.00 0.00 175.10 174.09 2dke s ILE 60 N -1.31 0.04 -0.13 2.22 1.01 0.12 -0.94 121.20 122.21 2dke s ILE 60 Ca -0.14 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.18 2dke s ILE 60 Cb -0.08 -0.16 0.02 0.00 0.01 0.00 0.00 42.46 42.25 2dke s ILE 60 CO 0.00 -0.18 -0.12 -1.61 0.00 0.00 0.00 174.94 173.03 2dke s GLU 61 N -0.54 2.05 -0.15 2.79 2.02 0.22 -1.80 118.70 123.30 2dke s GLU 61 Ca -0.06 -0.46 -0.03 0.00 0.02 0.00 0.00 54.97 54.44 2dke s GLU 61 Cb -0.04 -1.93 -0.03 0.00 0.10 0.00 0.00 34.13 32.24 2dke s GLU 61 CO -0.00 -0.23 -0.05 -0.80 0.02 0.00 0.00 175.26 174.20 2dke s ASN 62 N 1.52 4.70 -0.11 -0.19 0.01 -0.84 -0.74 114.94 119.29 2dke s ASN 62 Ca 0.04 -0.15 0.03 0.00 -0.71 0.00 0.00 52.86 52.07 2dke s ASN 62 Cb -0.13 -1.74 0.01 0.00 0.41 0.00 0.00 41.25 39.80 2dke s ASN 62 CO -0.09 0.18 -0.19 -0.13 -1.51 0.00 0.00 177.10 175.36 2dke s ARG 63 N 0.31 2.56 -0.04 -0.60 0.52 0.58 -4.80 118.95 117.49 2dke s ARG 63 Ca -0.05 -0.70 0.04 0.00 -0.52 0.00 0.00 55.73 54.51 2dke s ARG 63 Cb -0.14 -2.07 -0.00 0.00 0.52 0.00 0.00 34.95 33.25 2dke s ARG 63 CO 0.03 0.02 -0.15 0.00 0.02 0.00 0.00 175.30 175.23 2dke s TYR 65 N 0.07 1.14 0.13 0.00 2.02 -0.43 -2.15 117.35 118.13 2dke s TYR 65 Ca -0.03 -1.34 -0.18 0.00 -0.37 0.00 0.00 57.07 55.15 2dke s TYR 65 Cb -0.10 -0.49 0.04 0.00 -0.40 0.00 0.00 41.96 41.01 2dke s TYR 65 CO 0.01 -0.71 0.46 1.14 -1.57 0.00 0.00 175.55 174.88 2dke s GLN 66 N -4.04 1.11 0.10 -0.62 -2.07 0.69 0.20 119.66 115.03 2dke s GLN 66 Ca 0.37 -0.62 -0.11 0.00 -1.82 0.00 0.00 55.36 53.19 2dke s GLN 66 Cb 0.06 0.50 0.01 0.00 -1.09 0.00 0.00 33.01 32.48 2dke s GLN 66 CO 0.14 -0.45 0.24 0.95 -1.32 0.00 0.00 175.29 174.85 2dke s THR 67 N -3.69 0.12 0.65 3.63 -4.23 -0.79 -0.04 115.64 111.29 2dke s THR 67 Ca 0.02 -1.02 0.25 0.00 -1.18 0.00 0.00 61.69 59.76 2dke s THR 67 Cb 0.01 -1.29 0.27 0.00 1.34 0.00 0.00 72.50 72.83 2dke s THR 67 CO -0.12 -0.56 1.75 -0.65 -0.54 0.00 0.00 174.62 174.50 2dke h PRO 68 N 2.66 0.00 0.00 3.99 0.11 -1.99 0.39 132.00 137.15 2dke h PRO 68 Ca -0.34 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.62 2dke h PRO 68 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 2dke h PRO 68 CO 0.54 0.00 -1.44 1.04 -0.21 0.00 0.00 178.00 177.93 2dke n GLN 69 N -2.97 0.62 -4.17 1.05 3.00 -1.26 -4.74 117.38 108.91 2dke n GLN 69 Ca 0.01 0.18 -0.30 0.00 -0.01 0.00 0.00 57.00 56.88 2dke n GLN 69 Cb 0.56 -1.78 -0.17 0.00 0.00 0.00 0.00 30.24 28.85 2dke n GLN 69 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 2dke s PHE 70 N -2.99 2.09 0.10 1.08 0.40 0.14 -0.87 117.98 117.93 2dke s PHE 70 Ca -0.03 -1.11 -0.26 0.00 -0.60 0.00 0.00 56.93 54.93 2dke s PHE 70 Cb 0.09 -1.53 -0.12 0.00 0.51 0.00 0.00 43.02 41.97 2dke s PHE 70 CO 0.81 -0.60 1.68 -0.09 0.70 0.00 0.00 175.22 177.73 2dke h ARG 71 N 7.83 -0.31 -2.68 0.44 2.43 0.21 -2.11 114.38 120.19 2dke h ARG 71 Ca -0.35 0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 58.70 2dke h ARG 71 Cb 1.15 0.07 -0.28 0.00 -0.42 0.00 0.00 29.97 30.49 2dke h ARG 71 CO 0.51 -0.21 -0.38 0.21 -1.51 0.00 0.00 179.97 178.60 2dke s LYS 72 N -6.13 0.31 -0.32 0.20 2.20 -0.97 -4.71 119.74 110.32 2dke s LYS 72 Ca -0.15 0.83 -0.03 0.00 -0.36 0.00 0.00 55.97 56.26 2dke s LYS 72 Cb 0.07 0.07 0.05 0.00 -1.51 0.00 0.00 37.83 36.51 2dke s LYS 72 CO 0.65 -0.21 0.04 -1.64 -0.36 0.00 0.00 175.35 173.83 2dke s MET 73 N 1.92 2.46 -0.17 4.03 -1.94 0.13 0.17 119.30 125.90 2dke s MET 73 Ca -0.05 -1.27 -0.05 0.00 -1.71 0.00 0.00 55.69 52.60 2dke s MET 73 Cb -0.10 -3.27 -0.03 0.00 2.01 0.00 0.00 34.83 33.43 2dke s MET 73 CO -0.12 -0.65 0.01 -1.58 -0.01 0.00 0.00 175.02 172.67 2dke s HIS 74 N 1.29 3.13 -0.21 -0.03 5.04 0.75 -1.31 115.29 123.95 2dke s HIS 74 Ca -0.04 -0.13 0.01 0.00 -1.54 0.00 0.00 55.06 53.37 2dke s HIS 74 Cb -0.20 -2.02 0.03 0.00 0.04 0.00 0.00 32.58 30.43 2dke s HIS 74 CO -0.00 0.05 -0.16 -1.17 -2.34 0.00 0.00 174.74 171.11 2dke s LEU 75 N 0.38 2.57 -0.12 8.88 2.96 0.65 -1.31 118.68 132.70 2dke s LEU 75 Ca -0.01 -0.85 0.01 0.00 -0.22 0.00 0.00 54.13 53.06 2dke s LEU 75 Cb -0.13 -1.52 -0.01 0.00 0.50 0.00 0.00 46.19 45.03 2dke s LEU 75 CO 0.02 -0.06 -0.16 -0.70 -1.32 0.00 0.00 176.35 174.13 2dke s GLU 76 N 1.25 3.26 -0.02 1.98 2.12 0.44 -0.31 118.70 127.41 2dke s GLU 76 Ca 0.01 -0.74 0.04 0.00 0.36 0.00 0.00 54.97 54.64 2dke s GLU 76 Cb -0.15 -2.53 -0.00 0.00 0.26 0.00 0.00 34.13 31.71 2dke s GLU 76 CO -0.10 0.22 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.20 2dke s LEU 77 N 0.30 1.93 -0.06 2.70 1.43 0.08 -0.30 118.68 124.76 2dke s LEU 77 Ca -0.12 -0.25 -0.25 0.00 -1.03 0.00 0.00 54.13 52.47 2dke s LEU 77 Cb -0.16 -0.72 0.05 0.00 0.03 0.00 0.00 46.19 45.39 2dke s LEU 77 CO 0.06 0.13 0.56 0.00 0.23 0.00 0.00 176.35 177.34 2dke s ALA 78 N -0.08 -1.44 -0.12 4.21 0.00 -0.90 0.72 121.76 124.15 2dke s ALA 78 Ca 0.01 1.06 0.01 0.00 0.00 0.00 0.00 51.96 53.03 2dke s ALA 78 Cb -0.08 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 22.98 2dke s ALA 78 CO 0.00 -0.33 -0.14 0.15 0.00 0.00 0.00 175.76 175.44 2dke s LYS 79 N -1.07 2.17 -0.24 0.00 1.02 -0.12 -1.48 119.74 120.02 2dke s LYS 79 Ca -0.11 -0.53 0.01 0.00 0.02 0.00 0.00 55.97 55.36 2dke s LYS 79 Cb -0.02 -1.90 0.06 0.00 -0.52 0.00 0.00 37.83 35.45 2dke s LYS 79 CO 0.07 -0.12 -0.05 0.08 -0.92 0.00 0.00 175.35 174.42 2dke s VAL 80 N 1.15 1.58 0.00 3.17 1.01 -0.41 -0.99 120.40 125.91 2dke s VAL 80 Ca -0.03 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 60.64 2dke s VAL 80 Cb -0.14 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.37 2dke s VAL 80 CO -0.04 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.53 2dke n GLY 81 N 4.64 -1.71 0.12 4.51 0.00 -0.66 -3.07 105.19 109.02 2dke n GLY 81 Ca -0.11 -1.30 0.15 0.00 0.00 0.00 0.00 46.02 44.76 2dke n GLY 81 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2dke n LYS 82 N -0.49 1.01 0.00 1.61 0.00 -1.26 -4.63 118.16 114.39 2dke n LYS 82 Ca 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 58.31 58.08 2dke n LYS 82 Cb 0.00 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.53 2dke n LYS 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2dke n GLY 83 N 1.12 0.30 1.83 2.58 0.00 -1.25 -4.57 105.19 105.21 2dke n GLY 83 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 2dke n GLY 83 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2dke n LEU 84 N 0.00 0.40 -4.47 0.99 7.94 -1.17 -4.38 117.00 116.32 2dke n LEU 84 Ca 0.00 0.36 -0.33 0.00 -1.11 0.00 0.00 56.01 54.93 2dke n LEU 84 Cb 0.00 -0.51 -0.13 0.00 0.53 0.00 0.00 43.42 43.31 2dke n LEU 84 CO 0.00 -0.43 -0.44 -1.81 -1.11 0.00 0.00 177.39 173.60 2dke s ASP 85 N 3.49 4.13 -0.02 1.96 1.11 0.43 -1.29 116.67 126.48 2dke s ASP 85 Ca 0.68 -0.20 0.01 0.00 0.18 0.00 0.00 52.55 53.21 2dke s ASP 85 Cb -0.83 -1.11 0.02 0.00 1.07 0.00 0.00 42.92 42.07 2dke s ASP 85 CO 0.36 0.30 -0.02 -0.63 1.18 0.00 0.00 175.17 176.37 2dke s ILE 86 N -0.44 0.25 -0.09 0.77 1.01 -0.55 -1.05 121.20 121.10 2dke s ILE 86 Ca 0.06 -0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.72 2dke s ILE 86 Cb -0.12 -0.29 0.01 0.00 0.01 0.00 0.00 42.46 42.07 2dke s ILE 86 CO 0.02 0.13 -0.17 -0.22 0.00 0.00 0.00 174.94 174.70 2dke s LEU 87 N 0.64 1.84 -0.04 2.97 0.20 -0.11 -2.12 118.68 122.06 2dke s LEU 87 Ca -0.07 -0.43 0.00 0.00 0.69 0.00 0.00 54.13 54.32 2dke s LEU 87 Cb -0.10 -1.12 0.03 0.00 -0.43 0.00 0.00 46.19 44.57 2dke s LEU 87 CO -0.01 0.08 0.00 -2.28 -0.29 0.00 0.00 176.35 173.85 2dke s HIS 88 N 0.63 0.37 -0.04 5.38 5.65 0.59 -0.43 115.29 127.45 2dke s HIS 88 Ca -0.14 -0.02 -0.02 0.00 0.25 0.00 0.00 55.06 55.13 2dke s HIS 88 Cb -0.16 -0.47 0.02 0.00 -1.18 0.00 0.00 32.58 30.79 2dke s HIS 88 CO 0.04 -0.16 0.09 0.00 -0.65 0.00 0.00 174.74 174.07 2dke s VAL 90 N 0.61 -0.01 -0.24 0.00 1.01 -0.43 -1.22 120.40 120.12 2dke s VAL 90 Ca -0.05 0.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 2dke s VAL 90 Cb -0.07 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 36.04 2dke s VAL 90 CO -0.02 0.02 -0.03 -0.04 0.00 0.00 0.00 175.10 175.02 2dke s MET 91 N 0.36 3.14 -0.40 2.72 -1.94 -1.08 -0.18 119.30 121.93 2dke s MET 91 Ca -0.02 -0.78 -0.18 0.00 -1.71 0.00 0.00 55.69 52.99 2dke s MET 91 Cb -0.04 -3.07 0.01 0.00 2.01 0.00 0.00 34.83 33.75 2dke s MET 91 CO -0.02 -0.31 0.49 -0.06 -0.01 0.00 0.00 175.02 175.12 2dke s PHE 92 N 1.43 3.15 0.28 -0.03 0.40 0.45 -3.26 117.98 120.40 2dke s PHE 92 Ca 0.03 -0.12 -0.29 0.00 -0.60 0.00 0.00 56.93 55.95 2dke s PHE 92 Cb -0.16 -2.98 -0.10 0.00 0.51 0.00 0.00 43.02 40.30 2dke s PHE 92 CO -0.03 -0.67 1.18 -1.25 0.70 0.00 0.00 175.22 175.16 2dke s PRO 93 N 2.34 4.52 -0.51 0.24 0.04 -1.26 0.20 135.00 140.58 2dke s PRO 93 Ca 0.16 1.95 -0.28 0.00 0.04 0.00 0.00 61.00 62.87 2dke s PRO 93 Cb -0.16 -3.16 0.02 0.00 0.04 0.00 0.00 34.50 31.24 2dke s PRO 93 CO 0.14 0.03 1.30 -2.00 0.04 0.00 0.00 177.00 176.52 2dke s GLU 94 N -1.35 3.52 0.14 4.56 2.56 -0.05 -4.30 118.70 123.79 2dke s GLU 94 Ca 0.47 0.57 0.07 0.00 0.00 0.00 0.00 54.97 56.08 2dke s GLU 94 Cb -0.35 -4.02 0.49 0.00 2.00 0.00 0.00 34.13 32.25 2dke s GLU 94 CO 0.44 -1.65 0.63 -2.30 -0.56 0.00 0.00 175.26 171.82 2dke n PRO 95 N 8.27 -0.03 0.33 4.30 -0.02 -1.26 -0.68 135.00 145.91 2dke n PRO 95 Ca 0.13 0.56 0.20 0.00 -2.02 0.00 0.00 63.50 62.37 2dke n PRO 95 Cb 0.49 -0.98 1.07 0.00 -0.02 0.00 0.00 33.50 34.06 2dke n PRO 95 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2dke h LEU 96 N 0.00 0.00 -1.10 2.45 5.85 -1.91 -2.32 115.31 118.28 2dke h LEU 96 Ca 0.32 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.04 2dke h LEU 96 Cb 0.82 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.85 2dke h LEU 96 CO -0.32 0.00 -0.31 -1.22 -0.34 0.00 0.00 178.44 176.24 2dke n TYR 97 N -3.09 0.00 -2.69 1.25 4.01 0.14 0.45 117.16 117.24 2dke n TYR 97 Ca -0.02 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.54 2dke n TYR 97 Cb 0.18 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.21 2dke n TYR 97 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2dke n GLY 98 N 1.23 -0.50 3.91 2.72 0.00 -0.87 -4.60 105.19 107.07 2dke n GLY 98 Ca 0.08 0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 2dke n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dke s LEU 99 N -6.00 3.29 0.50 0.99 1.43 -1.26 -4.92 118.68 112.71 2dke s LEU 99 Ca 0.12 0.86 -0.10 0.00 -1.03 0.00 0.00 54.13 53.98 2dke s LEU 99 Cb -0.06 -3.73 -0.05 0.00 0.03 0.00 0.00 46.19 42.37 2dke s LEU 99 CO 0.15 -0.97 0.88 -2.84 0.23 0.00 0.00 176.35 173.80 2dke s PRO 100 N -4.99 3.71 -0.25 1.29 0.02 -1.26 -4.53 135.00 128.99 2dke s PRO 100 Ca 0.53 0.57 -0.11 0.00 0.02 0.00 0.00 61.00 62.01 2dke s PRO 100 Cb -0.11 -2.26 -0.05 0.00 0.02 0.00 0.00 34.50 32.11 2dke s PRO 100 CO 0.46 -0.26 0.17 -0.48 -0.33 0.00 0.00 177.00 176.56 2dke s LEU 101 N -4.45 4.08 0.89 -5.54 0.05 -0.64 -4.75 118.68 108.32 2dke s LEU 101 Ca 0.53 0.08 -0.11 0.00 0.05 0.00 0.00 54.13 54.67 2dke s LEU 101 Cb -0.10 -2.11 0.13 0.00 -2.05 0.00 0.00 46.19 42.06 2dke s LEU 101 CO 0.40 0.04 1.09 0.12 -0.55 0.00 0.00 176.35 177.45 2dke s PHE 102 N 1.23 2.24 0.00 3.48 2.19 -1.20 -1.50 117.98 124.42 2dke s PHE 102 Ca 0.07 1.35 0.00 0.00 0.33 0.00 0.00 56.93 58.69 2dke s PHE 102 Cb -0.14 -3.15 0.00 0.00 -1.31 0.00 0.00 43.02 38.42 2dke s PHE 102 CO 0.06 -2.42 0.00 0.41 1.83 0.00 0.00 175.22 175.10 2dke n GLY 103 N -0.90 1.33 3.29 13.12 0.00 -0.67 -2.63 105.19 118.73 2dke n GLY 103 Ca 0.08 0.25 -0.11 0.00 0.00 0.00 0.00 46.02 46.23 2dke n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dke s ASP 105 N -2.44 0.10 -0.03 0.00 1.01 0.11 -1.47 116.67 113.94 2dke s ASP 105 Ca -0.01 -0.34 0.01 0.00 0.71 0.00 0.00 52.55 52.93 2dke s ASP 105 Cb 0.01 0.19 0.01 0.00 1.01 0.00 0.00 42.92 44.14 2dke s ASP 105 CO -0.07 -0.39 -0.05 -0.63 0.21 0.00 0.00 175.17 174.23 2dke s ILE 106 N -1.66 0.56 -0.12 0.77 -1.09 0.43 -1.62 121.20 118.47 2dke s ILE 106 Ca -0.13 -0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.11 2dke s ILE 106 Cb -0.07 -0.54 0.02 0.00 -1.58 0.00 0.00 42.46 40.29 2dke s ILE 106 CO -0.00 0.21 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.12 2dke s VAL 107 N 0.57 1.25 0.08 2.92 1.01 -0.17 -0.94 120.40 125.13 2dke s VAL 107 Ca -0.08 -0.45 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 2dke s VAL 107 Cb -0.11 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 2dke s VAL 107 CO 0.00 0.40 0.12 0.00 0.00 0.00 0.00 175.10 175.63 2dke s ALA 108 N 1.46 0.05 0.00 5.51 0.00 -0.22 -0.92 121.76 127.64 2dke s ALA 108 Ca 0.02 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.14 2dke s ALA 108 Cb -0.13 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.44 2dke s ALA 108 CO -0.07 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 175.63 2dke n GLY 109 N -0.02 4.29 0.32 0.00 0.00 -0.70 0.16 105.19 109.26 2dke n GLY 109 Ca -0.14 -1.43 0.04 0.00 0.00 0.00 0.00 46.02 44.49 2dke n GLY 109 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2dke h PRO 110 N 0.00 -0.00 -1.00 1.61 0.11 -1.80 -1.47 132.00 129.45 2dke h PRO 110 Ca 0.00 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.00 2dke h PRO 110 Cb 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.04 2dke h PRO 110 CO 0.00 -0.00 0.14 0.41 -0.21 0.00 0.00 178.00 178.34 2dke n GLY 111 N -1.57 2.54 2.02 -0.55 0.00 -1.26 -5.01 105.19 101.37 2dke n GLY 111 Ca 0.13 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2dke n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dke n GLY 112 N 0.12 -1.80 3.67 -0.02 0.00 -0.56 -4.91 105.19 101.70 2dke n GLY 112 Ca 0.13 -1.87 -0.43 0.00 0.00 0.00 0.00 46.02 43.86 2dke n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dke s VAL 113 N 0.00 4.62 -0.08 1.61 1.01 -1.26 -1.71 120.40 124.58 2dke s VAL 113 Ca 0.00 1.92 -0.14 0.00 0.00 0.00 0.00 61.98 63.76 2dke s VAL 113 Cb 0.00 -4.24 -0.28 0.00 0.00 0.00 0.00 36.38 31.86 2dke s VAL 113 CO 0.00 -0.08 0.60 0.77 0.00 0.00 0.00 175.10 176.39 2dke h SER 114 N 7.40 0.46 -3.75 3.32 4.64 -1.38 -3.39 113.55 120.86 2dke h SER 114 Ca -0.26 -0.89 -0.20 0.00 -0.47 0.00 0.00 61.79 59.96 2dke h SER 114 Cb 1.11 -0.15 -0.27 0.00 -0.31 0.00 0.00 62.40 62.78 2dke h SER 114 CO 0.92 1.67 -0.59 0.00 -0.87 0.00 0.00 176.83 177.96 2dke s ALA 115 N -2.51 -0.27 -0.16 5.18 0.00 -0.97 -4.51 121.76 118.52 2dke s ALA 115 Ca -0.18 0.34 -0.02 0.00 0.00 0.00 0.00 51.96 52.09 2dke s ALA 115 Cb 0.05 -0.20 0.05 0.00 0.00 0.00 0.00 23.12 23.01 2dke s ALA 115 CO 0.80 -0.06 0.02 0.00 0.00 0.00 0.00 175.76 176.51 2dke s ALA 116 N 0.14 0.97 -0.05 0.00 0.00 -0.17 -1.00 121.76 121.65 2dke s ALA 116 Ca -0.01 -0.56 0.04 0.00 0.00 0.00 0.00 51.96 51.44 2dke s ALA 116 Cb -0.02 -1.06 -0.00 0.00 0.00 0.00 0.00 23.12 22.04 2dke s ALA 116 CO -0.00 -0.95 -0.18 0.42 0.00 0.00 0.00 175.76 175.05 2dke s ILE 117 N 1.87 1.49 -0.07 0.00 1.09 -0.64 -0.97 121.20 123.96 2dke s ILE 117 Ca 0.01 -0.74 -0.09 0.00 -1.10 0.00 0.00 60.65 58.73 2dke s ILE 117 Cb -0.16 -1.28 0.02 0.00 -1.06 0.00 0.00 42.46 39.98 2dke s ILE 117 CO -0.07 0.43 0.24 0.00 -0.10 0.00 0.00 174.94 175.43 2dke s ALA 118 N 0.12 -0.59 -0.08 9.38 0.00 -0.60 0.06 121.76 130.05 2dke s ALA 118 Ca -0.06 0.55 -0.31 0.00 0.00 0.00 0.00 51.96 52.14 2dke s ALA 118 Cb -0.13 -0.29 0.12 0.00 0.00 0.00 0.00 23.12 22.82 2dke s ALA 118 CO 0.03 -0.14 0.99 0.34 0.00 0.00 0.00 175.76 176.98 2dke s ASP 119 N -0.21 -0.31 -0.34 0.00 -1.08 0.63 -1.47 116.67 113.89 2dke s ASP 119 Ca -0.03 0.07 -0.04 0.00 -0.52 0.00 0.00 52.55 52.02 2dke s ASP 119 Cb -0.03 0.31 0.06 0.00 -1.46 0.00 0.00 42.92 41.80 2dke s ASP 119 CO 0.01 -0.47 0.09 -0.76 0.52 0.00 0.00 175.17 174.56 2dke s LEU 120 N -2.16 4.36 0.16 -1.34 1.43 -1.26 -1.68 118.68 118.20 2dke s LEU 120 Ca 0.05 -1.35 -0.19 0.00 -1.03 0.00 0.00 54.13 51.61 2dke s LEU 120 Cb -0.01 -1.81 -0.08 0.00 0.03 0.00 0.00 46.19 44.32 2dke s LEU 120 CO -0.06 -0.35 0.65 -0.44 0.23 0.00 0.00 176.35 176.38 2dke s SER 121 N 1.47 7.06 -0.58 2.29 0.01 -0.56 -4.16 113.70 119.22 2dke s SER 121 Ca -0.01 1.34 -0.27 0.00 1.31 0.00 0.00 55.95 58.31 2dke s SER 121 Cb -0.20 -2.39 -0.00 0.00 0.21 0.00 0.00 66.02 63.64 2dke s SER 121 CO 0.00 0.14 1.63 -2.16 0.41 0.00 0.00 173.24 173.26 2dke s PRO 122 N -1.63 3.00 0.00 12.44 0.04 -1.26 -1.62 135.00 145.97 2dke s PRO 122 Ca 0.37 0.53 0.26 0.00 0.04 0.00 0.00 61.00 62.20 2dke s PRO 122 Cb -0.18 -4.25 1.30 0.00 0.04 0.00 0.00 34.50 31.41 2dke s PRO 122 CO 0.21 -2.30 1.86 0.25 0.04 0.00 0.00 177.00 177.07 2dke n THR 123 N 7.00 0.17 -1.23 1.26 -2.24 -1.26 -4.61 114.28 113.38 2dke n THR 123 Ca 0.16 0.04 -0.31 0.00 -2.27 0.00 0.00 64.05 61.67 2dke n THR 123 Cb 0.50 -0.62 0.10 0.00 -2.10 0.00 0.00 70.33 68.21 2dke n THR 123 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2dke s GLN 124 N -2.56 2.19 0.50 -0.78 -0.21 -1.26 -3.84 119.66 113.71 2dke s GLN 124 Ca 0.25 1.19 0.30 0.00 0.02 0.00 0.00 55.36 57.12 2dke s GLN 124 Cb 0.17 -1.89 1.08 0.00 1.00 0.00 0.00 33.01 33.37 2dke s GLN 124 CO 0.39 -1.70 1.87 0.77 -2.12 0.00 0.00 175.29 174.50 2dke h SER 125 N -1.17 0.00 0.08 5.90 0.02 -1.89 -2.89 113.55 113.60 2dke h SER 125 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2dke h SER 125 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2dke h SER 125 CO 0.51 0.00 -0.52 -0.90 -1.14 0.00 0.00 176.83 174.78 2dke n ASP 126 N -3.04 1.53 -0.05 3.07 3.85 -1.26 -4.97 116.55 115.68 2dke n ASP 126 Ca 0.02 -1.20 -0.01 0.00 -0.71 0.00 0.00 54.79 52.89 2dke n ASP 126 Cb 0.36 0.47 -0.00 0.00 -1.35 0.00 0.00 41.12 40.60 2dke n ASP 126 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2dke n ARG 127 N -0.51 -0.16 -3.48 0.11 3.00 -1.09 -5.03 116.66 109.50 2dke n ARG 127 Ca 0.09 0.21 -0.23 0.00 -0.01 0.00 0.00 57.85 57.91 2dke n ARG 127 Cb 0.41 -3.49 -0.01 0.00 0.00 0.00 0.00 32.46 29.37 2dke n ARG 127 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2dke s GLN 128 N -0.81 3.42 0.05 5.56 -1.52 -1.26 -4.65 119.66 120.44 2dke s GLN 128 Ca 0.00 -0.47 0.02 0.00 -1.95 0.00 0.00 55.36 52.96 2dke s GLN 128 Cb 0.00 -2.71 -0.04 0.00 -0.22 0.00 0.00 33.01 30.04 2dke s GLN 128 CO 0.00 0.17 0.05 -0.51 -0.25 0.00 0.00 175.29 174.75 2dke s LEU 129 N -4.26 3.72 0.73 2.90 1.43 -1.26 -4.25 118.68 117.69 2dke s LEU 129 Ca 0.40 0.00 -0.17 0.00 -1.03 0.00 0.00 54.13 53.33 2dke s LEU 129 Cb -0.09 -2.31 -0.08 0.00 0.03 0.00 0.00 46.19 43.74 2dke s LEU 129 CO 0.34 0.22 0.15 -2.65 0.23 0.00 0.00 176.35 174.64 2dke n PRO 130 N 0.82 0.15 -0.11 1.29 -0.02 -1.26 -4.74 135.00 131.14 2dke n PRO 130 Ca -0.11 0.08 -0.05 0.00 -2.02 0.00 0.00 63.50 61.39 2dke n PRO 130 Cb 0.52 -1.50 0.02 0.00 -0.02 0.00 0.00 33.50 32.52 2dke n PRO 130 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dke h ALA 131 N -0.44 0.36 -0.06 3.55 0.00 -2.00 -2.80 119.26 117.87 2dke h ALA 131 Ca -0.44 0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.58 2dke h ALA 131 Cb 1.36 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 19.22 2dke h ALA 131 CO 0.39 -0.36 -0.53 0.00 0.00 0.00 0.00 179.25 178.75 2dke h ALA 132 N 1.29 -0.89 -0.73 0.00 0.00 -1.99 -0.62 119.26 116.32 2dke h ALA 132 Ca 0.18 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.18 2dke h ALA 132 Cb 0.22 0.95 -0.13 0.00 0.00 0.00 0.00 17.79 18.84 2dke h ALA 132 CO -0.26 -1.09 -0.04 1.88 0.00 0.00 0.00 179.25 179.74 2dke h TYR 133 N -0.63 -0.14 -0.22 0.00 -1.99 -1.84 0.19 116.97 112.35 2dke h TYR 133 Ca 0.03 0.06 -0.05 0.00 2.00 0.00 0.00 58.73 60.76 2dke h TYR 133 Cb 0.70 0.18 -0.01 0.00 2.00 0.00 0.00 36.73 39.59 2dke h TYR 133 CO -0.54 -0.26 -0.10 1.96 -0.00 0.00 0.00 178.16 179.23 2dke h GLN 134 N 0.07 0.35 -0.02 4.88 4.20 -1.10 0.35 115.11 123.85 2dke h GLN 134 Ca 0.39 -0.08 -0.10 0.00 0.06 0.00 0.00 58.65 58.92 2dke h GLN 134 Cb 0.66 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 2dke h GLN 134 CO -0.68 0.46 -0.45 -0.22 -0.67 0.00 0.00 178.83 177.27 2dke h LYS 135 N 0.33 0.03 0.12 1.46 3.11 0.84 -2.21 116.57 120.26 2dke h LYS 135 Ca 0.07 -0.02 -0.35 0.00 -2.81 0.00 0.00 60.65 57.54 2dke h LYS 135 Cb 0.39 -0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.60 2dke h LYS 135 CO 0.02 0.48 -1.92 0.77 -2.81 0.00 0.00 179.45 175.98 2dke h SER 136 N 0.03 0.39 0.10 4.20 0.02 -0.47 -3.08 113.55 114.75 2dke h SER 136 Ca -0.00 -0.84 -0.06 0.00 -0.84 0.00 0.00 61.79 60.05 2dke h SER 136 Cb 0.81 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 2dke h SER 136 CO 0.06 1.75 -0.20 -0.07 -1.14 0.00 0.00 176.83 177.23 2dke h LEU 137 N 0.07 0.18 -0.02 5.07 3.38 -0.36 -2.51 115.31 121.12 2dke h LEU 137 Ca -0.39 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.41 2dke h LEU 137 Cb 2.04 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 42.75 2dke h LEU 137 CO 0.10 0.39 -0.47 0.00 0.09 0.00 0.00 178.44 178.56 2dke h ALA 138 N 1.63 0.09 0.00 1.53 0.00 -1.54 -3.20 119.26 117.76 2dke h ALA 138 Ca 0.03 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2dke h ALA 138 Cb 0.46 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2dke h ALA 138 CO 0.03 0.27 0.00 0.39 0.00 0.00 0.00 179.25 179.94 2dke n GLU 139 N -4.32 0.04 0.09 0.00 1.02 -1.02 -2.15 120.64 114.30 2dke n GLU 139 Ca -0.10 0.31 -0.04 0.00 -0.02 0.00 0.00 57.16 57.31 2dke n GLU 139 Cb 0.60 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.48 2dke n GLU 139 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2dke h LEU 140 N 0.00 0.00 0.00 -4.62 3.38 -1.45 -3.50 115.31 109.11 2dke h LEU 140 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dke h LEU 140 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2dke h LEU 140 CO 0.00 0.85 0.00 0.61 0.09 0.00 0.00 178.44 179.99 2dke n GLY 141 N 1.11 1.16 3.71 0.83 0.00 -0.91 -4.99 105.19 106.10 2dke n GLY 141 Ca 0.00 -2.13 -0.39 0.00 0.00 0.00 0.00 46.02 43.51 2dke n GLY 141 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2dke s GLN 142 N -1.49 4.37 -0.24 1.61 -2.07 -1.26 -4.94 119.66 115.64 2dke s GLN 142 Ca 0.00 0.64 -0.29 0.00 -1.82 0.00 0.00 55.36 53.89 2dke s GLN 142 Cb 0.00 -3.45 -0.00 0.00 -1.09 0.00 0.00 33.01 28.46 2dke s GLN 142 CO 0.00 0.08 1.27 -2.14 -1.32 0.00 0.00 175.29 173.18 2dke s PRO 143 N 0.81 4.06 -0.53 9.60 0.02 -1.26 -5.00 135.00 142.70 2dke s PRO 143 Ca 0.31 1.42 -0.15 0.00 0.02 0.00 0.00 61.00 62.60 2dke s PRO 143 Cb -0.16 -3.82 0.13 0.00 0.02 0.00 0.00 34.50 30.67 2dke s PRO 143 CO 0.13 -0.93 0.48 -1.83 -0.33 0.00 0.00 177.00 174.53 2dke s GLU 144 N 3.84 2.91 0.10 5.54 -1.05 -1.26 -5.04 118.70 123.74 2dke s GLU 144 Ca 0.55 -1.72 0.07 0.00 -0.15 0.00 0.00 54.97 53.71 2dke s GLU 144 Cb -0.18 -4.24 -0.03 0.00 -0.44 0.00 0.00 34.13 29.23 2dke s GLU 144 CO 0.19 -1.31 -0.17 -0.06 0.95 0.00 0.00 175.26 174.86 2dke s PHE 145 N 1.55 1.49 -0.04 4.83 0.40 -1.26 -5.05 117.98 119.89 2dke s PHE 145 Ca 0.04 -0.47 -0.18 0.00 -0.60 0.00 0.00 56.93 55.71 2dke s PHE 145 Cb -0.29 -0.80 -0.13 0.00 0.51 0.00 0.00 43.02 42.31 2dke s PHE 145 CO 0.02 0.15 0.77 1.49 0.70 0.00 0.00 175.22 178.35 2dke h GLU 146 N 3.95 -0.34 -5.46 0.44 4.57 -1.96 -3.44 114.58 112.35 2dke h GLU 146 Ca -0.42 0.02 -0.60 0.00 -1.18 0.00 0.00 59.36 57.18 2dke h GLU 146 Cb 1.19 0.08 -0.11 0.00 -0.16 0.00 0.00 28.75 29.75 2dke h GLU 146 CO 0.43 -0.02 -0.24 -0.65 -1.18 0.00 0.00 179.01 177.36 2dke s GLN 147 N -3.39 4.21 0.10 1.92 1.11 -1.26 -5.04 119.66 117.30 2dke s GLN 147 Ca -0.11 0.18 -0.02 0.00 0.01 0.00 0.00 55.36 55.42 2dke s GLN 147 Cb 0.01 -3.50 0.01 0.00 -1.01 0.00 0.00 33.01 28.52 2dke s GLN 147 CO 0.38 0.05 0.17 1.04 0.01 0.00 0.00 175.29 176.94 2dke n GLN 148 N 4.17 0.25 -0.02 2.91 6.02 -1.26 -1.99 117.38 127.45 2dke n GLN 148 Ca -0.09 -0.67 0.00 0.00 -0.01 0.00 0.00 57.00 56.23 2dke n GLN 148 Cb 0.51 0.73 -0.00 0.00 1.02 0.00 0.00 30.24 32.51 2dke n GLN 148 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2dke n ARG 149 N -0.15 -0.04 -0.32 -1.09 3.00 -1.13 -4.97 116.66 111.96 2dke n ARG 149 Ca -0.01 0.03 0.00 0.00 -0.00 0.00 0.00 57.85 57.87 2dke n ARG 149 Cb 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 32.46 32.57 2dke n ARG 149 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2dke n GLU 150 N -1.36 0.00 -1.94 -0.14 0.28 -1.26 -4.97 120.64 111.25 2dke n GLU 150 Ca 0.00 0.06 -0.42 0.00 -0.16 0.00 0.00 57.16 56.64 2dke n GLU 150 Cb 0.01 -0.82 -0.03 0.00 1.43 0.00 0.00 31.44 32.03 2dke n GLU 150 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 2dke s LEU 151 N 0.00 4.36 0.90 -1.84 2.96 -1.26 -4.96 118.68 118.85 2dke s LEU 151 Ca 0.00 2.49 -0.10 0.00 -0.22 0.00 0.00 54.13 56.29 2dke s LEU 151 Cb 0.00 -3.57 0.14 0.00 0.50 0.00 0.00 46.19 43.26 2dke s LEU 151 CO 0.00 -0.87 1.14 -2.84 -1.32 0.00 0.00 176.35 172.46 2dke s PRO 152 N 2.44 1.09 0.23 0.98 0.02 -1.26 -4.79 135.00 133.72 2dke s PRO 152 Ca 0.73 1.53 0.09 0.00 0.02 0.00 0.00 61.00 63.37 2dke s PRO 152 Cb -0.40 -1.74 0.50 0.00 0.02 0.00 0.00 34.50 32.88 2dke s PRO 152 CO 0.32 -2.58 1.14 -2.30 -0.33 0.00 0.00 177.00 173.25 2dke n PRO 153 N -4.19 0.06 -0.44 5.54 -0.02 -1.26 0.95 135.00 135.65 2dke n PRO 153 Ca 0.12 0.49 0.10 0.00 -2.02 0.00 0.00 63.50 62.18 2dke n PRO 153 Cb 0.52 -1.99 0.31 0.00 -0.02 0.00 0.00 33.50 32.32 2dke n PRO 153 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 2dke n TRP 154 N -1.83 1.10 1.36 6.00 4.27 -1.26 -4.06 117.44 123.02 2dke n TRP 154 Ca -0.01 -0.49 0.06 0.00 -3.89 0.00 0.00 57.50 53.17 2dke n TRP 154 Cb 0.30 -0.10 0.35 0.00 -1.36 0.00 0.00 31.31 30.50 2dke n TRP 154 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2dke n GLY 155 N 1.37 -0.68 0.41 -1.67 0.00 0.27 -3.08 105.19 101.80 2dke n GLY 155 Ca 0.23 -0.07 0.22 0.00 0.00 0.00 0.00 46.02 46.40 2dke n GLY 155 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2dke h GLU 156 N 0.00 0.07 -0.56 1.61 4.11 -1.79 -1.89 114.58 116.12 2dke h GLU 156 Ca 0.00 -0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.37 2dke h GLU 156 Cb 0.00 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 2dke h GLU 156 CO 0.00 0.04 0.14 0.82 0.07 0.00 0.00 179.01 180.08 2dke h ILE 157 N 0.07 1.23 -3.08 -1.06 1.08 -1.91 -3.46 117.51 110.39 2dke h ILE 157 Ca 0.33 -0.83 -0.46 0.00 -0.39 0.00 0.00 64.86 63.51 2dke h ILE 157 Cb 1.22 0.65 0.04 0.00 -3.07 0.00 0.00 36.82 35.66 2dke h ILE 157 CO -0.03 0.31 0.01 -0.36 -0.69 0.00 0.00 178.15 177.39 2dke s PHE 158 N -5.23 3.23 0.54 1.37 0.40 -0.71 -4.29 117.98 113.29 2dke s PHE 158 Ca -0.10 0.38 -0.09 0.00 -0.60 0.00 0.00 56.93 56.52 2dke s PHE 158 Cb 0.15 -2.48 0.12 0.00 0.51 0.00 0.00 43.02 41.33 2dke s PHE 158 CO 0.81 -0.54 0.74 -1.13 0.70 0.00 0.00 175.22 175.79 2dke n SER 159 N -2.27 0.13 -0.01 1.36 3.41 -1.26 -4.85 113.62 110.12 2dke n SER 159 Ca 0.03 -1.31 0.12 0.00 -0.26 0.00 0.00 58.87 57.45 2dke n SER 159 Cb 0.58 -0.56 0.33 0.00 -0.26 0.00 0.00 64.21 64.29 2dke n SER 159 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2dke n GLU 160 N -2.55 0.06 -0.20 4.33 0.00 -1.26 -3.65 120.64 117.36 2dke n GLU 160 Ca 0.09 -0.03 0.11 0.00 0.00 0.00 0.00 57.16 57.34 2dke n GLU 160 Cb 0.33 -1.50 0.26 0.00 0.00 0.00 0.00 31.44 30.53 2dke n GLU 160 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2dke n TYR 161 N -1.45 0.52 -1.65 -1.84 4.02 -1.26 -4.97 117.16 110.53 2dke n TYR 161 Ca 0.06 -0.26 -0.51 0.00 -0.01 0.00 0.00 57.90 57.19 2dke n TYR 161 Cb 0.33 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.60 2dke n TYR 161 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2dke s LEU 163 N 1.71 5.09 -0.81 0.00 2.96 -0.54 -5.00 118.68 122.09 2dke s LEU 163 Ca 0.87 -1.59 0.02 0.00 -0.22 0.00 0.00 54.13 53.20 2dke s LEU 163 Cb -0.86 -1.94 0.22 0.00 0.50 0.00 0.00 46.19 44.11 2dke s LEU 163 CO 0.48 -0.52 0.74 0.33 -1.32 0.00 0.00 176.35 176.06 2dke n PHE 164 N 4.84 3.69 -2.93 5.38 -0.00 -1.26 -1.55 117.46 125.62 2dke n PHE 164 Ca -0.09 -4.08 -0.19 0.00 -0.00 0.00 0.00 57.45 53.09 2dke n PHE 164 Cb 0.43 -0.88 0.04 0.00 -0.00 0.00 0.00 39.48 39.06 2dke n PHE 164 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.76 177.72 2dke s ILE 165 N -1.73 2.63 -0.42 -2.13 -4.36 -0.15 -2.82 121.20 112.23 2dke s ILE 165 Ca 0.29 -0.92 0.02 0.00 -0.26 0.00 0.00 60.65 59.78 2dke s ILE 165 Cb -0.01 -2.71 0.14 0.00 1.25 0.00 0.00 42.46 41.13 2dke s ILE 165 CO -0.10 0.00 0.25 -0.60 0.24 0.00 0.00 174.94 174.73 2dke s ARG 166 N -4.56 1.06 -0.14 0.37 3.00 -0.84 -1.00 118.95 116.83 2dke s ARG 166 Ca 0.58 -1.86 -0.25 0.00 -1.00 0.00 0.00 55.73 53.20 2dke s ARG 166 Cb -0.08 -1.94 -0.12 0.00 0.00 0.00 0.00 34.95 32.81 2dke s ARG 166 CO 0.36 -1.21 0.77 -2.30 0.00 0.00 0.00 175.30 172.93 2dke n PRO 167 N 3.54 0.00 0.00 5.12 -0.02 -1.26 -4.26 135.00 138.13 2dke n PRO 167 Ca 0.13 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.73 2dke n PRO 167 Cb 0.37 -0.88 0.23 0.00 -0.02 0.00 0.00 33.50 33.19 2dke n PRO 167 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2dke n SER 168 N 1.56 1.73 0.00 2.55 3.41 -1.26 -4.89 113.62 116.72 2dke n SER 168 Ca 0.15 -1.36 0.00 0.00 -0.26 0.00 0.00 58.87 57.40 2dke n SER 168 Cb 0.01 0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 2dke n SER 168 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2dke n ASN 169 N -0.02 0.00 0.24 4.04 0.23 -1.26 -5.02 115.26 113.46 2dke n ASN 169 Ca 0.12 0.00 0.07 0.00 -0.53 0.00 0.00 54.58 54.24 2dke n ASN 169 Cb 0.43 0.00 0.57 0.00 -2.08 0.00 0.00 39.78 38.70 2dke n ASN 169 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 2dke h VAL 170 N 0.60 1.04 0.75 3.53 2.07 -2.00 -2.56 116.25 119.68 2dke h VAL 170 Ca 0.00 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 2dke h VAL 170 Cb 0.00 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2dke h VAL 170 CO 0.00 0.12 -0.50 0.74 0.02 0.00 0.00 177.57 177.95 2dke h THR 171 N 0.00 0.00 0.00 2.57 2.02 -2.01 -2.75 112.91 112.74 2dke h THR 171 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2dke h THR 171 Cb 0.22 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.63 2dke h THR 171 CO 0.02 0.00 -0.03 -0.33 0.37 0.00 0.00 175.52 175.55 2dke h GLU 172 N -1.18 0.00 -0.24 6.66 5.08 -1.92 -2.48 114.58 120.51 2dke h GLU 172 Ca -0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2dke h GLU 172 Cb 0.96 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 2dke h GLU 172 CO 0.07 0.03 0.11 0.93 -1.00 0.00 0.00 179.01 179.15 2dke h GLU 173 N 0.00 0.34 0.00 2.33 5.08 -1.16 -1.15 114.58 120.02 2dke h GLU 173 Ca -0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2dke h GLU 173 Cb 0.12 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2dke h GLU 173 CO 0.00 0.35 0.00 0.93 -1.00 0.00 0.00 179.01 179.29 2dke h GLU 174 N 0.25 0.00 0.09 2.33 5.08 -1.37 -2.28 114.58 118.68 2dke h GLU 174 Ca 0.08 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.17 2dke h GLU 174 Cb 0.12 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.39 2dke h GLU 174 CO -0.01 0.00 -1.12 -0.09 -1.00 0.00 0.00 179.01 176.79 2dke h ARG 175 N 0.00 0.60 -0.41 2.33 2.43 -1.13 -1.77 114.38 116.43 2dke h ARG 175 Ca 0.00 -0.77 -0.10 0.00 -0.81 0.00 0.00 59.98 58.30 2dke h ARG 175 Cb 0.73 0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 30.51 2dke h ARG 175 CO 0.00 1.34 -0.15 0.35 -1.51 0.00 0.00 179.97 180.00 2dke h PHE 176 N 0.22 0.86 -0.51 2.20 3.04 -1.11 0.30 116.94 121.93 2dke h PHE 176 Ca -0.17 -0.17 -0.10 0.00 3.98 0.00 0.00 57.97 61.52 2dke h PHE 176 Cb 1.80 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 40.08 2dke h PHE 176 CO 0.12 0.87 -0.06 0.28 -2.02 0.00 0.00 178.31 177.50 2dke h VAL 177 N 0.69 1.27 -0.54 1.41 2.07 -1.41 0.11 116.25 119.85 2dke h VAL 177 Ca 0.11 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 2dke h VAL 177 Cb 0.64 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 2dke h VAL 177 CO 0.05 0.42 0.31 -0.61 0.02 0.00 0.00 177.57 177.75 2dke h GLN 178 N 0.80 0.74 -0.50 1.57 5.75 -0.91 0.48 115.11 123.05 2dke h GLN 178 Ca 0.14 -0.08 -0.06 0.00 -0.15 0.00 0.00 58.65 58.50 2dke h GLN 178 Cb 0.61 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.99 2dke h GLN 178 CO 0.04 0.56 0.05 -0.09 -2.65 0.00 0.00 178.83 176.74 2dke h ARG 179 N 0.72 0.79 -0.21 1.69 9.65 -0.74 0.36 114.38 126.64 2dke h ARG 179 Ca 0.19 -0.19 -0.07 0.00 -1.10 0.00 0.00 59.98 58.81 2dke h ARG 179 Cb 0.02 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 28.49 2dke h ARG 179 CO -0.03 0.76 -0.13 0.28 2.80 0.00 0.00 179.97 183.65 2dke h VAL 180 N 0.75 1.31 -0.51 0.20 2.07 -0.31 -1.88 116.25 117.88 2dke h VAL 180 Ca 0.16 -1.23 0.08 0.00 0.82 0.00 0.00 66.70 66.53 2dke h VAL 180 Cb 0.38 1.66 -0.07 0.00 -1.52 0.00 0.00 31.29 31.74 2dke h VAL 180 CO 0.01 0.38 0.13 0.58 0.02 0.00 0.00 177.57 178.69 2dke h VAL 181 N 0.16 0.74 0.02 2.57 2.07 0.48 -1.65 116.25 120.65 2dke h VAL 181 Ca 0.04 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.50 2dke h VAL 181 Cb 0.64 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 2dke h VAL 181 CO 0.04 0.05 -0.37 0.44 0.02 0.00 0.00 177.57 177.75 2dke h ASP 182 N 0.28 -1.10 -0.70 0.57 3.32 -0.00 -1.28 116.42 117.51 2dke h ASP 182 Ca 0.26 0.14 0.13 0.00 0.02 0.00 0.00 57.03 57.57 2dke h ASP 182 Cb 0.33 0.43 -0.09 0.00 0.22 0.00 0.00 39.33 40.22 2dke h ASP 182 CO -0.31 -0.43 0.24 -0.26 -1.72 0.00 0.00 179.24 176.76 2dke h PHE 183 N -0.54 0.40 -0.96 4.55 0.04 -0.90 -1.11 116.94 118.43 2dke h PHE 183 Ca 0.05 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.85 2dke h PHE 183 Cb 0.61 -0.07 -0.05 0.00 2.20 0.00 0.00 35.95 38.64 2dke h PHE 183 CO -0.37 0.03 0.58 -0.07 -0.60 0.00 0.00 178.31 177.88 2dke h LEU 184 N 0.38 1.15 -0.13 1.54 3.38 -0.76 0.16 115.31 121.02 2dke h LEU 184 Ca 0.38 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.25 2dke h LEU 184 Cb 0.56 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2dke h LEU 184 CO -0.40 0.87 -0.02 1.56 0.09 0.00 0.00 178.44 180.55 2dke h GLN 185 N 1.32 0.25 -0.50 1.13 4.20 -0.16 0.38 115.11 121.72 2dke h GLN 185 Ca 0.34 -0.09 0.05 0.00 0.06 0.00 0.00 58.65 59.01 2dke h GLN 185 Cb -0.06 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.65 2dke h GLN 185 CO -0.07 0.51 0.24 0.82 -0.67 0.00 0.00 178.83 179.67 2dke h ILE 186 N -0.04 0.94 -0.70 2.54 2.04 -1.01 -0.79 117.51 120.49 2dke h ILE 186 Ca 0.04 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.68 2dke h ILE 186 Cb 0.41 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 2dke h ILE 186 CO 0.01 0.09 0.23 -0.74 0.00 0.00 0.00 178.15 177.73 2dke h HIS 187 N 0.47 1.12 -0.05 1.37 2.76 -0.51 -0.76 115.15 119.57 2dke h HIS 187 Ca 0.22 -0.11 -0.10 0.00 -2.20 0.00 0.00 60.37 58.18 2dke h HIS 187 Cb 0.14 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 28.77 2dke h HIS 187 CO -0.11 0.89 -0.44 0.00 -1.30 0.00 0.00 177.93 176.97 2dke h HIS 189 N 0.09 0.26 0.00 0.00 6.17 -0.82 -2.87 115.15 117.97 2dke h HIS 189 Ca 0.00 -0.12 -0.00 0.00 0.71 0.00 0.00 60.37 60.96 2dke h HIS 189 Cb 0.82 -0.04 -0.00 0.00 2.52 0.00 0.00 27.41 30.71 2dke h HIS 189 CO 0.01 0.86 -0.01 1.96 0.71 0.00 0.00 177.93 181.46 2dke h GLN 190 N -0.42 0.00 0.11 5.26 1.08 -1.08 -2.31 115.11 117.75 2dke h GLN 190 Ca -0.02 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 2dke h GLN 190 Cb 0.90 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 2dke h GLN 190 CO 0.04 0.01 -0.05 1.03 -0.95 0.00 0.00 178.83 178.91 2dke h SER 191 N 0.00 -0.12 0.11 1.46 0.87 -1.05 -2.44 113.55 112.39 2dke h SER 191 Ca -0.00 -0.15 -0.10 0.00 -1.23 0.00 0.00 61.79 60.31 2dke h SER 191 Cb 0.03 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 2dke h SER 191 CO 0.00 0.08 -0.35 0.40 -0.53 0.00 0.00 176.83 176.43 2dke h ILE 192 N -0.32 1.29 -0.70 2.23 2.04 -1.27 -2.90 117.51 117.88 2dke h ILE 192 Ca -0.01 -1.41 -0.23 0.00 1.00 0.00 0.00 64.86 64.20 2dke h ILE 192 Cb 0.26 1.55 -0.13 0.00 -0.74 0.00 0.00 36.82 37.76 2dke h ILE 192 CO 0.02 0.43 0.29 1.33 0.00 0.00 0.00 178.15 180.22 2dke n VAL 193 N -4.07 2.73 -3.25 1.67 0.24 -1.11 -4.94 118.33 109.60 2dke n VAL 193 Ca -0.01 -1.48 -0.32 0.00 -2.04 0.00 0.00 64.34 60.48 2dke n VAL 193 Cb 0.45 -0.41 -0.06 0.00 -1.47 0.00 0.00 33.84 32.35 2dke n VAL 193 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2dke s ALA 194 N -2.77 3.42 0.08 2.33 0.00 -0.92 -5.01 121.76 118.90 2dke s ALA 194 Ca 0.50 -0.09 0.04 0.00 0.00 0.00 0.00 51.96 52.41 2dke s ALA 194 Cb 0.40 -2.63 -0.03 0.00 0.00 0.00 0.00 23.12 20.86 2dke s ALA 194 CO 0.12 0.40 -0.11 -1.21 0.00 0.00 0.00 175.76 174.96 2dke s GLU 195 N -2.92 0.80 0.07 0.00 2.02 -1.26 -5.07 118.70 112.33 2dke s GLU 195 Ca 0.51 -1.03 -0.33 0.00 0.02 0.00 0.00 54.97 54.14 2dke s GLU 195 Cb -0.11 -0.63 -0.12 0.00 0.10 0.00 0.00 34.13 33.38 2dke s GLU 195 CO 0.19 0.12 1.76 -2.30 0.02 0.00 0.00 175.26 175.05 2dke n PRO 196 N 0.96 2.37 -1.79 0.39 -0.02 -1.26 -4.55 135.00 131.09 2dke n PRO 196 Ca -0.19 0.86 -0.30 0.00 -2.02 0.00 0.00 63.50 61.86 2dke n PRO 196 Cb 0.56 -2.70 0.18 0.00 -0.02 0.00 0.00 33.50 31.52 2dke n PRO 196 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2dke s LEU 197 N 2.56 2.38 0.16 2.45 2.01 0.17 -5.01 118.68 123.41 2dke s LEU 197 Ca 0.84 0.41 -0.30 0.00 0.01 0.00 0.00 54.13 55.09 2dke s LEU 197 Cb -0.62 -2.47 -0.07 0.00 0.01 0.00 0.00 46.19 43.04 2dke s LEU 197 CO 0.42 -2.82 0.96 -0.94 1.01 0.00 0.00 176.35 174.98 2dke s SER 198 N -4.68 7.54 0.64 2.29 1.04 -1.26 -4.75 113.70 114.52 2dke s SER 198 Ca 0.72 1.86 0.08 0.00 0.48 0.00 0.00 55.95 59.09 2dke s SER 198 Cb -0.06 -2.60 0.28 0.00 0.10 0.00 0.00 66.02 63.75 2dke s SER 198 CO 0.53 0.01 1.10 -0.33 0.98 0.00 0.00 173.24 175.52 2dke h GLU 199 N 5.05 0.00 -0.05 4.02 4.39 -1.96 1.51 114.58 127.54 2dke h GLU 199 Ca -0.44 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.21 2dke h GLU 199 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2dke h GLU 199 CO 0.70 0.00 -0.17 0.00 -1.16 0.00 0.00 179.01 178.38 2dke h ALA 200 N 0.17 0.09 -0.14 3.43 0.00 -2.01 -3.34 119.26 117.45 2dke h ALA 200 Ca 0.15 -0.38 -0.21 0.00 0.00 0.00 0.00 54.91 54.47 2dke h ALA 200 Cb 2.27 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 20.06 2dke h ALA 200 CO -0.00 0.03 -0.75 1.96 0.00 0.00 0.00 179.25 180.49 2dke h GLN 201 N -0.33 0.68 -0.04 0.00 4.20 0.17 -3.02 115.11 116.78 2dke h GLN 201 Ca -0.01 -0.55 0.00 0.00 0.06 0.00 0.00 58.65 58.15 2dke h GLN 201 Cb 0.81 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.70 2dke h GLN 201 CO 0.04 1.17 0.00 -2.37 -0.67 0.00 0.00 178.83 176.99 2dke n THR 202 N -3.91 0.00 0.00 -0.54 5.66 -0.70 -0.64 114.28 114.16 2dke n THR 202 Ca -0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 2dke n THR 202 Cb 0.73 -0.34 0.00 0.00 -1.55 0.00 0.00 70.33 69.16 2dke n THR 202 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2dke n LEU 203 N -0.32 1.06 0.23 1.09 4.77 -1.14 -4.11 117.00 118.58 2dke n LEU 203 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.12 2dke n LEU 203 Cb 0.01 0.00 0.41 0.00 -2.33 0.00 0.00 43.42 41.51 2dke n LEU 203 CO 0.00 0.18 0.89 1.05 -1.33 0.00 0.00 177.39 178.18 2dke h GLU 204 N 0.00 0.00 0.00 3.23 4.11 -0.84 0.22 114.58 121.29 2dke h GLU 204 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2dke h GLU 204 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 2dke h GLU 204 CO 0.00 0.00 -0.85 0.72 0.07 0.00 0.00 179.01 178.95 2dke n HIS 205 N -3.02 0.26 0.71 2.06 8.25 -0.52 -2.09 115.22 120.87 2dke n HIS 205 Ca 0.03 0.08 0.10 0.00 -0.26 0.00 0.00 57.72 57.66 2dke n HIS 205 Cb 0.42 -0.42 0.28 0.00 1.12 0.00 0.00 29.99 31.39 2dke n HIS 205 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 2dke n ARG 206 N -1.89 2.10 -0.07 -0.41 0.63 0.07 -2.96 116.66 114.13 2dke n ARG 206 Ca 0.03 -1.68 -0.11 0.00 -0.92 0.00 0.00 57.85 55.17 2dke n ARG 206 Cb 0.41 -1.43 -0.07 0.00 0.45 0.00 0.00 32.46 31.83 2dke n ARG 206 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2dke n GLN 207 N 0.88 0.36 0.11 -0.14 -0.00 0.54 -4.13 117.38 115.01 2dke n GLN 207 Ca 0.17 0.09 -0.13 0.00 -0.00 0.00 0.00 57.00 57.13 2dke n GLN 207 Cb 0.44 -1.26 -0.08 0.00 -0.00 0.00 0.00 30.24 29.35 2dke n GLN 207 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 2dke h GLY 208 N 0.86 -0.29 0.98 2.61 0.00 -1.49 0.42 103.07 106.16 2dke h GLY 208 Ca -0.34 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2dke h GLY 208 CO -0.08 -0.11 0.15 -1.61 0.00 0.00 0.00 176.54 174.90 2dke h GLN 209 N -0.56 0.31 -0.10 4.80 4.15 -1.77 0.74 115.11 122.68 2dke h GLN 209 Ca -0.03 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.42 2dke h GLN 209 Cb 0.42 -0.07 -0.06 0.00 0.21 0.00 0.00 27.48 27.98 2dke h GLN 209 CO 0.05 0.20 -0.33 0.82 -1.93 0.00 0.00 178.83 177.64 2dke h ILE 210 N 0.32 0.28 -0.23 2.39 1.08 -1.69 -0.21 117.51 119.44 2dke h ILE 210 Ca 0.09 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.54 2dke h ILE 210 Cb -0.03 0.28 -0.01 0.00 -3.07 0.00 0.00 36.82 33.99 2dke h ILE 210 CO -0.03 0.00 0.06 -0.74 -0.69 0.00 0.00 178.15 176.76 2dke h HIS 211 N -0.42 0.31 0.34 1.37 2.76 0.34 -2.13 115.15 117.71 2dke h HIS 211 Ca 0.09 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.23 2dke h HIS 211 Cb 0.56 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.42 2dke h HIS 211 CO -0.40 0.28 -0.16 -0.92 -1.30 0.00 0.00 177.93 175.43 2dke h TYR 212 N 0.32 -0.42 -0.48 5.26 3.20 0.17 -1.38 116.97 123.64 2dke h TYR 212 Ca 0.08 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2dke h TYR 212 Cb 0.12 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 2dke h TYR 212 CO 0.00 -0.12 0.32 0.00 -1.64 0.00 0.00 178.16 176.71 2dke h GLN 214 N 0.65 1.30 -0.10 0.00 4.20 -1.40 0.36 115.11 120.12 2dke h GLN 214 Ca 0.18 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 2dke h GLN 214 Cb -0.07 -0.28 -0.00 0.00 0.30 0.00 0.00 27.48 27.43 2dke h GLN 214 CO -0.04 0.89 -0.08 1.96 -0.67 0.00 0.00 178.83 180.90 2dke h GLN 215 N 1.33 0.23 -0.58 1.46 1.08 -0.86 -2.99 115.11 114.78 2dke h GLN 215 Ca 0.35 -0.11 -0.04 0.00 -1.45 0.00 0.00 58.65 57.40 2dke h GLN 215 Cb -0.09 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.31 2dke h GLN 215 CO -0.07 0.62 0.19 1.96 -0.95 0.00 0.00 178.83 180.59 2dke h GLN 216 N -0.16 0.86 0.00 1.46 1.08 -0.92 -2.01 115.11 115.42 2dke h GLN 216 Ca 0.02 -0.15 -0.00 0.00 -1.45 0.00 0.00 58.65 57.06 2dke h GLN 216 Cb 0.57 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 27.86 2dke h GLN 216 CO 0.02 0.74 -0.01 0.37 -0.95 0.00 0.00 178.83 179.00 2dke h GLN 217 N 0.84 0.00 -0.01 1.46 4.15 -0.24 0.15 115.11 121.47 2dke h GLN 217 Ca 0.19 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.61 2dke h GLN 217 Cb 0.23 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.92 2dke h GLN 217 CO -0.01 0.01 -0.43 1.63 -1.93 0.00 0.00 178.83 178.10 2dke n LYS 218 N -3.49 1.80 0.00 1.69 5.02 -0.78 -4.66 118.16 117.74 2dke n LYS 218 Ca -0.03 -0.58 0.00 0.00 -2.02 0.00 0.00 58.31 55.68 2dke n LYS 218 Cb 0.09 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 2dke n LYS 218 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2dke n ASN 219 N -0.46 2.23 -4.68 4.39 4.13 -0.97 -5.03 115.26 114.87 2dke n ASN 219 Ca 0.06 -0.08 -0.42 0.00 1.68 0.00 0.00 54.58 55.81 2dke n ASN 219 Cb 0.30 0.61 -0.03 0.00 -1.54 0.00 0.00 39.78 39.13 2dke n ASN 219 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2dke s ASP 220 N -1.06 6.53 -0.02 6.41 3.68 0.49 -4.88 116.67 127.82 2dke s ASP 220 Ca 0.00 2.56 0.05 0.00 2.13 0.00 0.00 52.55 57.29 2dke s ASP 220 Cb 0.00 -2.55 0.17 0.00 -1.45 0.00 0.00 42.92 39.09 2dke s ASP 220 CO 0.00 -0.97 1.02 1.17 0.13 0.00 0.00 175.17 176.53 2dke n LYS 221 N 6.40 1.56 0.05 4.34 3.00 -1.26 -3.51 118.16 128.73 2dke n LYS 221 Ca 0.18 -0.66 -0.00 0.00 -0.00 0.00 0.00 58.31 57.82 2dke n LYS 221 Cb 0.40 -1.30 0.30 0.00 0.00 0.00 0.00 35.03 34.43 2dke n LYS 221 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 2dke h THR 222 N 0.99 1.22 0.05 3.15 2.02 -1.97 -3.29 112.91 115.08 2dke h THR 222 Ca 0.00 -0.95 0.01 0.00 0.77 0.00 0.00 66.41 66.24 2dke h THR 222 Cb 0.42 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 2dke h THR 222 CO 0.04 0.31 -0.35 -0.09 0.37 0.00 0.00 175.52 175.79 2dke h ARG 223 N 0.38 -0.46 -0.88 6.66 2.43 -1.93 -2.58 114.38 117.99 2dke h ARG 223 Ca 0.07 0.03 0.23 0.00 -0.81 0.00 0.00 59.98 59.50 2dke h ARG 223 Cb 0.46 0.11 -0.16 0.00 -0.42 0.00 0.00 29.97 29.96 2dke h ARG 223 CO 0.03 -0.31 0.08 -0.09 -1.51 0.00 0.00 179.97 178.17 2dke h ARG 224 N -0.48 0.09 0.33 0.20 1.12 -1.85 0.21 114.38 114.00 2dke h ARG 224 Ca 0.00 -0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 58.85 2dke h ARG 224 Cb 0.49 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.44 2dke h ARG 224 CO -0.21 0.06 -0.16 0.28 -3.11 0.00 0.00 179.97 176.84 2dke h VAL 225 N 0.09 0.69 -0.85 0.20 2.07 -1.68 -2.11 116.25 114.66 2dke h VAL 225 Ca 0.53 -0.04 0.16 0.00 0.82 0.00 0.00 66.70 68.17 2dke h VAL 225 Cb 1.04 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 2dke h VAL 225 CO -0.77 0.01 0.56 -0.07 0.02 0.00 0.00 177.57 177.32 2dke h LEU 226 N -0.46 0.51 -0.88 2.57 3.38 -0.31 0.96 115.31 121.09 2dke h LEU 226 Ca -0.04 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 2dke h LEU 226 Cb 0.35 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2dke h LEU 226 CO 0.07 0.25 -0.44 -0.33 0.09 0.00 0.00 178.44 178.08 2dke h GLU 227 N 0.54 0.26 0.00 1.13 5.08 -0.51 0.28 114.58 121.36 2dke h GLU 227 Ca 0.43 -0.13 -0.15 0.00 -1.00 0.00 0.00 59.36 58.50 2dke h GLU 227 Cb 0.87 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 2dke h GLU 227 CO -0.17 0.66 -0.73 0.87 -1.00 0.00 0.00 179.01 178.64 2dke h LYS 228 N 0.22 0.00 0.06 2.33 1.57 -0.19 0.39 116.57 120.95 2dke h LYS 228 Ca 0.02 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.58 2dke h LYS 228 Cb 0.87 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 2dke h LYS 228 CO 0.07 0.73 -1.12 0.00 -0.57 0.00 0.00 179.45 178.56 2dke h ALA 229 N 1.27 0.17 0.00 3.86 0.00 -1.10 -3.43 119.26 120.03 2dke h ALA 229 Ca -0.01 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 53.89 2dke h ALA 229 Cb 1.53 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.78 2dke h ALA 229 CO 0.09 0.64 0.00 1.19 0.00 0.00 0.00 179.25 181.18 2dke n PHE 230 N -4.18 0.00 0.00 0.00 3.01 0.98 -4.75 117.46 112.52 2dke n PHE 230 Ca -0.24 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.22 2dke n PHE 230 Cb 0.77 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.24 2dke n PHE 230 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2dke n GLY 231 N 0.08 -0.53 0.43 1.37 0.00 0.14 -4.41 105.19 102.27 2dke n GLY 231 Ca 0.00 -1.69 -0.12 0.00 0.00 0.00 0.00 46.02 44.21 2dke n GLY 231 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2dke h GLU 232 N 0.00 -0.35 -0.44 1.61 9.09 -1.88 -1.34 114.58 121.27 2dke h GLU 232 Ca 0.00 0.02 -0.01 0.00 0.05 0.00 0.00 59.36 59.42 2dke h GLU 232 Cb 0.00 0.08 -0.02 0.00 -1.65 0.00 0.00 28.75 27.16 2dke h GLU 232 CO 0.00 -0.24 0.23 0.00 0.05 0.00 0.00 179.01 179.05 2dke h ALA 233 N 0.17 1.57 -0.05 1.06 0.00 -1.97 -0.09 119.26 119.95 2dke h ALA 233 Ca 0.10 -0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.72 2dke h ALA 233 Cb 0.60 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.22 2dke h ALA 233 CO -0.59 0.35 -0.79 2.35 0.00 0.00 0.00 179.25 180.57 2dke h TRP 234 N 0.61 0.90 -0.54 0.00 7.01 -1.70 -2.69 115.95 119.54 2dke h TRP 234 Ca 0.16 -0.45 0.01 0.00 2.11 0.00 0.00 58.89 60.71 2dke h TRP 234 Cb 0.04 -0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 26.96 2dke h TRP 234 CO 0.00 1.27 0.35 0.00 -2.79 0.00 0.00 178.44 177.28 2dke h ALA 235 N 0.43 0.68 -0.32 2.65 0.00 -0.94 -1.29 119.26 120.48 2dke h ALA 235 Ca -0.08 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2dke h ALA 235 Cb 1.45 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2dke h ALA 235 CO 0.16 0.12 0.20 1.49 0.00 0.00 0.00 179.25 181.21 2dke h GLU 236 N 0.72 0.43 -0.51 0.00 4.57 -1.04 -0.65 114.58 118.10 2dke h GLU 236 Ca 0.20 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.30 2dke h GLU 236 Cb -0.08 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.39 2dke h GLU 236 CO -0.04 0.33 0.15 -0.09 -1.18 0.00 0.00 179.01 178.17 2dke h ARG 237 N 0.41 0.77 -0.17 1.92 2.43 -1.19 -2.55 114.38 116.00 2dke h ARG 237 Ca 0.12 -0.14 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 2dke h ARG 237 Cb 0.00 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.43 2dke h ARG 237 CO -0.02 0.68 -0.17 -0.92 -1.51 0.00 0.00 179.97 178.03 2dke h TYR 238 N 0.75 0.50 -0.18 2.20 3.20 -0.89 -1.97 116.97 120.58 2dke h TYR 238 Ca 0.17 -0.15 0.03 0.00 3.14 0.00 0.00 58.73 61.92 2dke h TYR 238 Cb 0.24 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 2dke h TYR 238 CO 0.01 0.79 -0.01 0.52 -1.64 0.00 0.00 178.16 177.83 2dke h MET 239 N 0.07 0.04 -0.08 1.82 2.86 -0.99 0.34 114.93 119.00 2dke h MET 239 Ca 0.03 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2dke h MET 239 Cb 0.70 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.35 2dke h MET 239 CO 0.04 0.03 0.00 -1.13 1.06 0.00 0.00 176.91 176.91 2dke n SER 240 N -5.15 1.74 -0.01 1.22 3.41 -0.97 -1.27 113.62 112.60 2dke n SER 240 Ca -0.03 -1.62 -0.01 0.00 -0.26 0.00 0.00 58.87 56.95 2dke n SER 240 Cb 0.10 -0.04 -0.01 0.00 -0.26 0.00 0.00 64.21 64.00 2dke n SER 240 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dke n GLN 241 N 0.36 2.51 -0.05 4.33 3.00 -0.74 -3.94 117.38 122.84 2dke n GLN 241 Ca 0.18 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 57.11 2dke n GLN 241 Cb 0.37 -1.04 -0.02 0.00 0.00 0.00 0.00 30.24 29.55 2dke n GLN 241 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2dke n VAL 242 N -2.23 1.33 0.11 5.09 0.31 0.12 -4.63 118.33 118.42 2dke n VAL 242 Ca -0.03 0.22 -0.04 0.00 -0.01 0.00 0.00 64.34 64.47 2dke n VAL 242 Cb 0.55 -2.11 -0.02 0.00 -0.91 0.00 0.00 33.84 31.35 2dke n VAL 242 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2dke h LEU 243 N -0.71 -0.24 -6.41 7.52 3.38 -1.50 -3.41 115.31 113.95 2dke h LEU 243 Ca 0.00 0.01 -0.59 0.00 0.09 0.00 0.00 57.88 57.39 2dke h LEU 243 Cb 0.71 0.06 -0.40 0.00 0.09 0.00 0.00 40.66 41.11 2dke h LEU 243 CO 0.00 -0.11 -0.80 0.49 0.09 0.00 0.00 178.44 178.11 2dke n PHE 244 N -3.09 1.58 0.93 1.13 3.01 -0.39 -5.04 117.46 115.59 2dke n PHE 244 Ca -0.04 -3.87 0.07 0.00 1.01 0.00 0.00 57.45 54.63 2dke n PHE 244 Cb 0.11 -0.35 0.44 0.00 -0.01 0.00 0.00 39.48 39.68 2dke n PHE 244 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37