#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2daw s SER 2 N 0.00 -0.40 0.45 1.61 0.15 -1.26 -5.18 113.70 109.07 2daw s SER 2 Ca 0.00 0.50 0.06 0.00 0.70 0.00 0.00 55.95 57.21 2daw s SER 2 Cb 0.00 0.55 -0.03 0.00 -1.71 0.00 0.00 66.02 64.84 2daw s SER 2 CO 0.00 -0.42 0.24 -0.44 1.20 0.00 0.00 173.24 173.82 2daw s SER 3 N -0.87 4.52 -0.04 5.45 0.01 -1.26 -5.07 113.70 116.44 2daw s SER 3 Ca -0.09 -1.12 -0.24 0.00 1.31 0.00 0.00 55.95 55.81 2daw s SER 3 Cb -0.03 -0.21 -0.18 0.00 0.21 0.00 0.00 66.02 65.80 2daw s SER 3 CO 0.05 -0.71 1.04 1.23 0.41 0.00 0.00 173.24 175.26 2daw h GLY 4 N 1.22 -0.14 -2.17 3.44 0.00 -2.09 -3.47 103.07 99.87 2daw h GLY 4 Ca -0.41 0.05 -0.51 0.00 0.00 0.00 0.00 47.33 46.46 2daw h GLY 4 CO 0.66 -0.05 -0.67 -0.56 0.00 0.00 0.00 176.54 175.92 2daw s SER 5 N -5.58 2.91 -0.29 0.19 0.01 -1.26 -5.15 113.70 104.52 2daw s SER 5 Ca -0.15 -1.20 -0.17 0.00 1.31 0.00 0.00 55.95 55.74 2daw s SER 5 Cb 0.01 -0.19 0.18 0.00 0.21 0.00 0.00 66.02 66.23 2daw s SER 5 CO 0.57 -0.33 1.17 -0.94 0.41 0.00 0.00 173.24 174.12 2daw s SER 6 N -3.47 -0.23 0.00 2.44 1.04 -1.26 -5.16 113.70 107.05 2daw s SER 6 Ca 0.30 0.38 0.00 0.00 0.48 0.00 0.00 55.95 57.11 2daw s SER 6 Cb 0.04 1.01 0.00 0.00 0.10 0.00 0.00 66.02 67.16 2daw s SER 6 CO 0.13 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.90 2daw n GLY 7 N 3.14 -0.03 3.23 7.32 0.00 -1.26 -5.01 105.19 112.57 2daw n GLY 7 Ca -0.17 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 2daw n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2daw s MET 8 N 0.00 3.17 -0.05 1.61 1.00 -1.26 -5.09 119.30 118.67 2daw s MET 8 Ca 0.00 -0.76 -0.31 0.00 0.00 0.00 0.00 55.69 54.62 2daw s MET 8 Cb 0.00 -2.63 0.11 0.00 0.00 0.00 0.00 34.83 32.31 2daw s MET 8 CO 0.00 -0.05 1.10 -1.54 0.00 0.00 0.00 175.02 174.52 2daw s SER 9 N 0.98 -0.19 0.06 3.03 1.04 -1.26 -5.18 113.70 112.18 2daw s SER 9 Ca -0.02 -0.09 0.04 0.00 0.48 0.00 0.00 55.95 56.36 2daw s SER 9 Cb -0.15 0.26 -0.03 0.00 0.10 0.00 0.00 66.02 66.21 2daw s SER 9 CO -0.03 -0.45 -0.12 0.00 0.98 0.00 0.00 173.24 173.61 2daw s ALA 10 N -2.74 1.00 -0.14 5.32 0.00 -1.26 -5.13 121.76 118.81 2daw s ALA 10 Ca 0.10 -0.90 -0.24 0.00 0.00 0.00 0.00 51.96 50.92 2daw s ALA 10 Cb 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 2daw s ALA 10 CO -0.05 0.13 0.76 0.45 0.00 0.00 0.00 175.76 177.05 2daw s SER 11 N -1.57 6.92 0.31 0.00 0.15 -1.26 -4.93 113.70 113.32 2daw s SER 11 Ca -0.03 1.12 0.15 0.00 0.70 0.00 0.00 55.95 57.89 2daw s SER 11 Cb -0.09 -2.43 1.06 0.00 -1.71 0.00 0.00 66.02 62.85 2daw s SER 11 CO 0.02 -0.30 1.34 0.52 1.20 0.00 0.00 173.24 176.02 2daw n VAL 12 N 4.46 -0.36 -0.32 4.45 0.31 -1.26 -0.75 118.33 124.87 2daw n VAL 12 Ca 0.02 1.75 -0.08 0.00 -0.01 0.00 0.00 64.34 66.02 2daw n VAL 12 Cb 0.50 -2.79 -0.08 0.00 -0.91 0.00 0.00 33.84 30.56 2daw n VAL 12 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2daw n LYS 13 N -4.98 -0.34 0.21 5.55 5.02 -1.26 -0.69 118.16 121.68 2daw n LYS 13 Ca 0.30 1.19 -0.17 0.00 -2.02 0.00 0.00 58.31 57.61 2daw n LYS 13 Cb 1.02 -1.76 -0.09 0.00 -0.02 0.00 0.00 35.03 34.18 2daw n LYS 13 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2daw h GLU 14 N 0.00 -0.83 -0.69 1.97 4.39 -1.34 -1.75 114.58 116.32 2daw h GLU 14 Ca 0.12 0.06 0.06 0.00 0.34 0.00 0.00 59.36 59.94 2daw h GLU 14 Cb 0.32 0.19 -0.09 0.00 -0.10 0.00 0.00 28.75 29.07 2daw h GLU 14 CO -0.72 -0.56 -0.43 0.77 -1.16 0.00 0.00 179.01 176.91 2daw h SER 15 N -0.86 -1.57 -0.90 1.42 0.02 -0.98 0.44 113.55 111.12 2daw h SER 15 Ca -0.03 0.24 0.20 0.00 -0.84 0.00 0.00 61.79 61.35 2daw h SER 15 Cb 0.80 0.69 -0.11 0.00 0.14 0.00 0.00 62.40 63.91 2daw h SER 15 CO -0.15 -0.18 0.45 -0.07 -1.14 0.00 0.00 176.83 175.73 2daw h LEU 16 N -0.03 0.46 -0.38 5.07 3.38 -0.97 0.17 115.31 123.01 2daw h LEU 16 Ca 0.11 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.27 2daw h LEU 16 Cb 0.31 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 2daw h LEU 16 CO -0.66 0.10 0.09 -0.61 0.09 0.00 0.00 178.44 177.44 2daw h GLN 17 N 0.51 0.22 0.00 1.13 -0.00 0.76 0.25 115.11 117.98 2daw h GLN 17 Ca 0.54 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 59.18 2daw h GLN 17 Cb 0.95 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 28.38 2daw h GLN 17 CO -0.46 0.14 0.00 -0.07 0.00 0.00 0.00 178.83 178.44 2daw h LEU 18 N 0.22 0.00 0.00 -2.39 4.07 0.24 -2.12 115.31 115.33 2daw h LEU 18 Ca 0.18 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.14 2daw h LEU 18 Cb 0.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.94 2daw h LEU 18 CO -0.23 0.00 -0.23 1.56 -1.08 0.00 0.00 178.44 178.46 2daw h GLN 19 N 0.00 0.00 0.07 1.13 4.20 0.42 -3.06 115.11 117.87 2daw h GLN 19 Ca 0.00 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.35 2daw h GLN 19 Cb 0.49 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.23 2daw h GLN 19 CO 0.00 0.00 -2.08 1.28 -0.67 0.00 0.00 178.83 177.36 2daw n LEU 20 N -2.94 2.23 -0.21 1.46 4.77 -0.52 -4.13 117.00 117.67 2daw n LEU 20 Ca 0.03 0.16 -0.09 0.00 -0.03 0.00 0.00 56.01 56.08 2daw n LEU 20 Cb 0.53 -0.74 0.02 0.00 -2.33 0.00 0.00 43.42 40.89 2daw n LEU 20 CO 0.35 0.77 0.86 0.17 -1.33 0.00 0.00 177.39 178.21 2daw h LEU 21 N 0.04 0.95 -2.44 2.23 8.10 -1.51 -2.41 115.31 120.27 2daw h LEU 21 Ca -0.44 -0.28 0.01 0.00 0.11 0.00 0.00 57.88 57.28 2daw h LEU 21 Cb 2.02 -0.25 -0.00 0.00 -0.44 0.00 0.00 40.66 41.98 2daw h LEU 21 CO 0.05 0.99 0.06 1.05 -4.11 0.00 0.00 178.44 176.47 2daw h GLU 22 N 0.88 0.00 -0.50 0.17 4.11 -1.72 -1.85 114.58 115.68 2daw h GLU 22 Ca 0.17 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.59 2daw h GLU 22 Cb 0.47 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2daw h GLU 22 CO 0.02 0.00 0.24 0.52 0.07 0.00 0.00 179.01 179.86 2daw h MET 23 N 0.00 0.71 -0.20 1.06 2.86 -1.58 -0.50 114.93 117.29 2daw h MET 23 Ca 0.02 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 2daw h MET 23 Cb 0.13 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2daw h MET 23 CO -0.00 0.59 -0.00 0.93 1.06 0.00 0.00 176.91 179.49 2daw h GLU 24 N 0.66 0.28 -0.04 1.72 5.08 -1.42 -1.10 114.58 119.76 2daw h GLU 24 Ca 0.17 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.32 2daw h GLU 24 Cb 0.11 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.33 2daw h GLU 24 CO -0.02 0.31 -0.64 0.52 -1.00 0.00 0.00 179.01 178.18 2daw h MET 25 N 0.28 0.50 -0.49 2.33 2.86 -1.42 -3.01 114.93 115.99 2daw h MET 25 Ca 0.07 -0.49 -0.02 0.00 -2.06 0.00 0.00 59.70 57.19 2daw h MET 25 Cb 0.20 0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 2daw h MET 25 CO 0.00 1.13 0.22 -0.07 1.06 0.00 0.00 176.91 179.25 2daw h LEU 26 N 0.06 0.66 -1.39 1.22 3.38 -0.78 -2.15 115.31 116.32 2daw h LEU 26 Ca -0.07 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.77 2daw h LEU 26 Cb 1.32 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 2daw h LEU 26 CO 0.13 0.63 0.43 -0.26 0.09 0.00 0.00 178.44 179.46 2daw h PHE 27 N 0.65 0.77 -0.20 1.13 0.04 -1.28 -1.66 116.94 116.39 2daw h PHE 27 Ca 0.17 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.90 2daw h PHE 27 Cb 0.16 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 2daw h PHE 27 CO -0.00 0.46 -0.07 1.03 -0.60 0.00 0.00 178.31 179.13 2daw h SER 28 N 0.81 0.41 0.47 2.17 0.87 -1.31 -2.64 113.55 114.33 2daw h SER 28 Ca 0.25 -0.39 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 2daw h SER 28 Cb 0.01 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 2daw h SER 28 CO -0.07 0.71 0.00 0.23 -0.53 0.00 0.00 176.83 177.17 2daw n MET 29 N -4.59 0.04 -3.78 2.24 2.81 -0.85 -4.05 117.12 108.94 2daw n MET 29 Ca -0.05 0.32 -0.29 0.00 -1.81 0.00 0.00 57.70 55.86 2daw n MET 29 Cb 0.30 -1.58 -0.13 0.00 -0.71 0.00 0.00 33.22 31.10 2daw n MET 29 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 2daw s PHE 30 N -3.07 2.38 0.30 2.03 0.08 -0.67 -4.95 117.98 114.08 2daw s PHE 30 Ca 0.06 -2.68 0.08 0.00 0.12 0.00 0.00 56.93 54.50 2daw s PHE 30 Cb 0.08 -2.17 0.45 0.00 -0.57 0.00 0.00 43.02 40.82 2daw s PHE 30 CO 0.26 -0.76 1.69 -1.00 -0.10 0.00 0.00 175.22 175.30 2daw h PRO 31 N 6.56 0.15 -6.76 0.24 0.13 -1.70 -3.45 132.00 127.17 2daw h PRO 31 Ca -0.01 -0.08 -0.52 0.00 -0.87 0.00 0.00 66.00 64.52 2daw h PRO 31 Cb 0.91 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.08 2daw h PRO 31 CO 0.55 0.59 0.64 -0.80 -0.23 0.00 0.00 178.00 178.75 2daw s ASN 32 N -6.89 6.87 0.29 1.44 -0.87 -1.26 -4.92 114.94 109.60 2daw s ASN 32 Ca -0.03 2.51 0.12 0.00 -1.57 0.00 0.00 52.86 53.89 2daw s ASN 32 Cb 0.13 -2.63 0.42 0.00 -0.02 0.00 0.00 41.25 39.15 2daw s ASN 32 CO 0.77 -0.51 1.63 1.56 -2.57 0.00 0.00 177.10 177.98 2daw h GLN 33 N 4.54 0.00 -1.59 -0.60 1.08 -1.98 -3.19 115.11 113.37 2daw h GLN 33 Ca -0.46 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 56.42 2daw h GLN 33 Cb 1.22 0.00 -0.13 0.00 -0.05 0.00 0.00 27.48 28.52 2daw h GLN 33 CO 0.72 0.57 0.38 0.41 -0.95 0.00 0.00 178.83 179.96 2daw n GLY 34 N 0.28 4.02 0.31 3.46 0.00 -1.26 -4.40 105.19 107.62 2daw n GLY 34 Ca -0.01 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.91 2daw n GLY 34 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2daw n GLU 35 N 0.48 0.00 -2.76 1.61 -0.58 -1.21 -4.90 120.64 113.28 2daw n GLU 35 Ca 0.30 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.61 2daw n GLU 35 Cb 0.58 -0.10 -0.03 0.00 -0.57 0.00 0.00 31.44 31.31 2daw n GLU 35 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2daw s VAL 36 N -0.51 4.49 -0.48 2.62 1.01 -1.26 -3.55 120.40 122.71 2daw s VAL 36 Ca 0.00 1.11 -0.13 0.00 0.00 0.00 0.00 61.98 62.96 2daw s VAL 36 Cb 0.00 -4.41 0.10 0.00 0.00 0.00 0.00 36.38 32.07 2daw s VAL 36 CO 0.00 -0.69 0.38 -0.54 0.00 0.00 0.00 175.10 174.25 2daw s LYS 37 N 3.73 2.78 -0.24 2.72 1.02 -0.96 -4.98 119.74 123.80 2daw s LYS 37 Ca 0.40 -1.57 -0.21 0.00 0.02 0.00 0.00 55.97 54.62 2daw s LYS 37 Cb -0.11 -4.05 -0.02 0.00 -0.52 0.00 0.00 37.83 33.13 2daw s LYS 37 CO 0.23 -1.13 0.64 -0.51 -0.92 0.00 0.00 175.35 173.65 2daw s LEU 38 N 1.52 4.08 0.48 3.17 1.43 -1.26 -2.67 118.68 125.42 2daw s LEU 38 Ca 0.04 0.74 0.33 0.00 -1.03 0.00 0.00 54.13 54.21 2daw s LEU 38 Cb -0.26 -2.87 1.45 0.00 0.03 0.00 0.00 46.19 44.54 2daw s LEU 38 CO 0.03 -0.36 1.68 -0.33 0.23 0.00 0.00 176.35 177.60 2daw h GLU 39 N 7.81 0.11 -2.11 1.70 4.39 -1.98 -3.38 114.58 121.13 2daw h GLU 39 Ca -0.27 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.45 2daw h GLU 39 Cb 1.13 -0.02 -0.22 0.00 -0.10 0.00 0.00 28.75 29.54 2daw h GLU 39 CO 0.78 0.07 -0.13 0.34 -1.16 0.00 0.00 179.01 178.91 2daw s ASP 40 N -4.67 -0.94 0.40 1.42 2.15 -1.26 -5.01 116.67 108.75 2daw s ASP 40 Ca -0.07 1.44 0.28 0.00 0.43 0.00 0.00 52.55 54.63 2daw s ASP 40 Cb 0.27 1.82 1.39 0.00 -0.30 0.00 0.00 42.92 46.09 2daw s ASP 40 CO 0.83 -0.23 1.84 -0.37 -0.17 0.00 0.00 175.17 177.07 2daw h VAL 41 N 5.70 0.00 -0.24 1.11 -1.51 -2.02 0.08 116.25 119.36 2daw h VAL 41 Ca -0.23 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 2daw h VAL 41 Cb 1.15 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 31.11 2daw h VAL 41 CO 0.13 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 177.06 2daw n ASN 42 N -2.50 2.02 0.20 4.19 3.02 -1.26 -4.00 115.26 116.93 2daw n ASN 42 Ca -0.01 -1.80 0.06 0.00 -0.03 0.00 0.00 54.58 52.80 2daw n ASN 42 Cb 0.12 -0.15 0.41 0.00 -0.61 0.00 0.00 39.78 39.54 2daw n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2daw h ALA 43 N 4.07 1.14 0.12 5.41 0.00 -1.34 -2.65 119.26 126.00 2daw h ALA 43 Ca 0.00 -0.30 -0.30 0.00 0.00 0.00 0.00 54.91 54.30 2daw h ALA 43 Cb 0.57 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2daw h ALA 43 CO 0.00 0.42 -1.50 -0.07 0.00 0.00 0.00 179.25 178.10 2daw h LEU 44 N 0.00 0.39 0.67 0.00 3.38 -1.78 -3.35 115.31 114.62 2daw h LEU 44 Ca -0.00 -0.52 -0.03 0.00 0.09 0.00 0.00 57.88 57.41 2daw h LEU 44 Cb 0.74 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.37 2daw h LEU 44 CO 0.04 1.43 -0.32 0.74 0.09 0.00 0.00 178.44 180.42 2daw h THR 45 N 0.07 0.00 -1.23 0.22 2.02 -1.75 -2.55 112.91 109.68 2daw h THR 45 Ca -0.23 -0.15 0.44 0.00 0.77 0.00 0.00 66.41 67.24 2daw h THR 45 Cb 2.01 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 68.28 2daw h THR 45 CO 0.17 0.00 0.77 0.59 0.37 0.00 0.00 175.52 177.42 2daw n ASN 46 N -4.85 0.23 0.27 4.18 3.02 -1.01 -0.21 115.26 116.88 2daw n ASN 46 Ca -0.11 1.36 -0.12 0.00 -0.03 0.00 0.00 54.58 55.69 2daw n ASN 46 Cb 0.36 -0.67 -0.06 0.00 -0.61 0.00 0.00 39.78 38.80 2daw n ASN 46 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2daw h ILE 47 N 0.00 0.05 -1.52 2.41 2.04 -1.65 -3.01 117.51 115.83 2daw h ILE 47 Ca 0.83 -0.46 0.44 0.00 1.00 0.00 0.00 64.86 66.66 2daw h ILE 47 Cb 2.57 0.08 -0.06 0.00 -0.74 0.00 0.00 36.82 38.67 2daw h ILE 47 CO -0.50 0.01 1.23 0.11 0.00 0.00 0.00 178.15 179.00 2daw h LYS 48 N -1.18 0.00 -0.04 2.37 1.57 -0.17 1.50 116.57 120.62 2daw h LYS 48 Ca -0.08 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.45 2daw h LYS 48 Cb 0.58 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.91 2daw h LYS 48 CO 0.12 0.00 -0.96 0.00 -0.57 0.00 0.00 179.45 178.04 2daw h ARG 49 N 0.00 0.68 -0.18 3.15 3.08 -1.34 -3.20 114.38 116.57 2daw h ARG 49 Ca 0.72 -0.68 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 2daw h ARG 49 Cb 3.17 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 33.39 2daw h ARG 49 CO -0.01 1.27 0.01 -0.92 -1.07 0.00 0.00 179.97 179.25 2daw h TYR 50 N 0.41 0.26 -0.22 3.04 5.03 0.22 -1.83 116.97 123.87 2daw h TYR 50 Ca -0.10 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.17 2daw h TYR 50 Cb 1.60 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 39.79 2daw h TYR 50 CO 0.09 0.27 0.03 -0.07 -1.32 0.00 0.00 178.16 177.16 2daw h LEU 51 N 0.26 0.29 -0.79 2.82 3.38 -1.45 -1.78 115.31 118.03 2daw h LEU 51 Ca 0.06 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 2daw h LEU 51 Cb 0.17 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2daw h LEU 51 CO 0.00 0.32 -0.60 -0.33 0.09 0.00 0.00 178.44 177.92 2daw h GLU 52 N 0.31 0.00 0.00 1.13 4.39 -1.41 -3.47 114.58 115.53 2daw h GLU 52 Ca 0.08 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.78 2daw h GLU 52 Cb 0.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2daw h GLU 52 CO -0.00 0.60 0.00 0.41 -1.16 0.00 0.00 179.01 178.86 2daw n GLY 53 N 0.20 0.22 0.26 -3.84 0.00 -0.67 -4.94 105.19 96.41 2daw n GLY 53 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 2daw n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2daw h THR 54 N 0.00 1.26 -3.46 2.61 1.03 -1.82 -3.37 112.91 109.17 2daw h THR 54 Ca 0.00 -1.22 -0.76 0.00 -0.01 0.00 0.00 66.41 64.42 2daw h THR 54 Cb 0.00 1.18 -0.26 0.00 -1.07 0.00 0.00 68.15 68.00 2daw h THR 54 CO 0.00 0.40 -0.12 -0.60 -0.01 0.00 0.00 175.52 175.19 2daw s ARG 55 N -4.66 3.15 0.46 0.00 3.52 -1.26 -4.90 118.95 115.26 2daw s ARG 55 Ca -0.08 -2.09 0.14 0.00 -0.13 0.00 0.00 55.73 53.56 2daw s ARG 55 Cb 0.14 -4.27 1.05 0.00 -1.56 0.00 0.00 34.95 30.31 2daw s ARG 55 CO 0.81 -1.29 2.03 1.49 -0.81 0.00 0.00 175.30 177.54 2daw h GLU 56 N 8.24 0.06 -6.49 5.12 4.81 -1.94 -3.42 114.58 120.95 2daw h GLU 56 Ca -0.10 -0.01 -0.53 0.00 -0.13 0.00 0.00 59.36 58.59 2daw h GLU 56 Cb 1.06 -0.01 0.02 0.00 0.63 0.00 0.00 28.75 30.45 2daw h GLU 56 CO 0.87 0.16 0.88 0.00 -0.73 0.00 0.00 179.01 180.20 2daw s ALA 57 N -4.82 3.66 0.01 2.92 0.00 -1.26 -4.93 121.76 117.34 2daw s ALA 57 Ca -0.05 1.16 -0.30 0.00 0.00 0.00 0.00 51.96 52.77 2daw s ALA 57 Cb 0.16 -3.63 -0.07 0.00 0.00 0.00 0.00 23.12 19.58 2daw s ALA 57 CO 0.70 -0.89 1.79 -1.17 0.00 0.00 0.00 175.76 176.18 2daw s LEU 58 N 1.96 4.38 0.80 0.00 1.98 -1.26 -4.94 118.68 121.59 2daw s LEU 58 Ca 0.69 2.46 -0.11 0.00 -2.89 0.00 0.00 54.13 54.29 2daw s LEU 58 Cb -0.38 -3.54 0.07 0.00 0.66 0.00 0.00 46.19 43.00 2daw s LEU 58 CO 0.30 -0.97 1.09 -2.16 -1.89 0.00 0.00 176.35 172.72 2daw s PRO 59 N 3.97 2.04 0.13 0.98 0.04 -1.26 -4.98 135.00 135.91 2daw s PRO 59 Ca 0.80 1.10 -0.31 0.00 0.04 0.00 0.00 61.00 62.63 2daw s PRO 59 Cb -0.38 -1.88 -0.08 0.00 0.04 0.00 0.00 34.50 32.20 2daw s PRO 59 CO 0.35 -1.77 1.35 -1.25 0.04 0.00 0.00 177.00 175.72 2daw s PRO 60 N -4.91 4.35 1.18 0.56 0.04 -1.26 -5.00 135.00 129.95 2daw s PRO 60 Ca 0.62 2.04 -0.16 0.00 0.04 0.00 0.00 61.00 63.54 2daw s PRO 60 Cb -0.17 -3.25 0.22 0.00 0.04 0.00 0.00 34.50 31.34 2daw s PRO 60 CO 0.56 -0.38 0.55 0.36 0.04 0.00 0.00 177.00 178.13 2daw n LYS 61 N 3.65 -2.30 -3.13 4.56 2.85 -1.26 -4.87 118.16 117.66 2daw n LYS 61 Ca 0.10 -0.65 -0.45 0.00 -1.05 0.00 0.00 58.31 56.26 2daw n LYS 61 Cb 0.43 -1.93 -0.03 0.00 -0.65 0.00 0.00 35.03 32.84 2daw n LYS 61 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2daw s ILE 62 N -2.30 5.06 -0.12 0.58 1.01 -1.21 -4.99 121.20 119.23 2daw s ILE 62 Ca 0.63 -1.68 -0.00 0.00 0.00 0.00 0.00 60.65 59.60 2daw s ILE 62 Cb -0.19 -4.57 -0.02 0.00 0.01 0.00 0.00 42.46 37.69 2daw s ILE 62 CO 0.65 -1.21 -0.11 -0.70 0.00 0.00 0.00 174.94 173.57 2daw s GLU 63 N 1.82 3.25 0.34 2.79 2.12 -1.26 -3.15 118.70 124.60 2daw s GLU 63 Ca 0.20 -0.65 -0.14 0.00 0.36 0.00 0.00 54.97 54.73 2daw s GLU 63 Cb -0.14 -2.63 0.03 0.00 0.26 0.00 0.00 34.13 31.65 2daw s GLU 63 CO -0.04 0.32 0.68 -0.59 -0.54 0.00 0.00 175.26 175.09 2daw s PHE 64 N 0.10 0.24 -0.13 5.30 -0.71 -0.98 -3.74 117.98 118.06 2daw s PHE 64 Ca -0.05 -0.75 0.02 0.00 -1.04 0.00 0.00 56.93 55.11 2daw s PHE 64 Cb -0.14 0.57 0.01 0.00 -1.21 0.00 0.00 43.02 42.24 2daw s PHE 64 CO 0.04 -1.34 -0.19 0.08 -1.34 0.00 0.00 175.22 172.46 2daw s VAL 65 N -3.04 1.85 -0.17 -2.49 1.01 -1.09 -1.55 120.40 114.91 2daw s VAL 65 Ca 0.18 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 2daw s VAL 65 Cb -0.04 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 2daw s VAL 65 CO 0.12 0.51 0.00 -0.63 0.00 0.00 0.00 175.10 175.10 2daw s ILE 66 N 0.89 4.23 -0.14 2.22 1.01 0.83 -2.28 121.20 127.97 2daw s ILE 66 Ca -0.07 -0.23 -0.21 0.00 0.00 0.00 0.00 60.65 60.14 2daw s ILE 66 Cb -0.15 -2.88 -0.03 0.00 0.01 0.00 0.00 42.46 39.40 2daw s ILE 66 CO -0.02 0.47 0.62 -0.89 0.00 0.00 0.00 174.94 175.13 2daw s THR 67 N 0.42 5.07 -0.62 2.92 2.01 -1.23 -0.91 115.64 123.30 2daw s THR 67 Ca -0.01 1.23 -0.23 0.00 0.31 0.00 0.00 61.69 62.99 2daw s THR 67 Cb -0.14 -3.95 0.06 0.00 0.01 0.00 0.00 72.50 68.48 2daw s THR 67 CO 0.02 0.21 0.93 -0.76 -0.69 0.00 0.00 174.62 174.33 2daw s LEU 68 N 1.25 4.34 -1.33 4.42 2.01 -0.90 -4.95 118.68 123.51 2daw s LEU 68 Ca 0.31 -0.80 -0.16 0.00 0.01 0.00 0.00 54.13 53.49 2daw s LEU 68 Cb -0.16 -2.54 0.02 0.00 0.01 0.00 0.00 46.19 43.52 2daw s LEU 68 CO 0.13 -1.34 2.04 1.67 1.01 0.00 0.00 176.35 179.86 2daw n GLN 69 N 7.53 2.77 -1.67 1.70 0.00 -1.26 -3.26 117.38 123.18 2daw n GLN 69 Ca -0.02 -2.73 -0.43 0.00 -0.00 0.00 0.00 57.00 53.82 2daw n GLN 69 Cb 0.46 -3.34 -0.03 0.00 0.00 0.00 0.00 30.24 27.33 2daw n GLN 69 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 2daw n ILE 70 N 5.71 0.61 -0.09 1.69 2.08 -1.11 -4.88 119.36 123.38 2daw n ILE 70 Ca 0.51 -0.11 -0.09 0.00 0.56 0.00 0.00 62.75 63.62 2daw n ILE 70 Cb 0.42 -2.21 0.06 0.00 -0.75 0.00 0.00 39.64 37.15 2daw n ILE 70 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2daw h GLU 71 N 9.76 0.79 -1.68 0.38 5.08 -1.92 -3.17 114.58 123.82 2daw h GLU 71 Ca -0.49 -0.35 0.09 0.00 -1.00 0.00 0.00 59.36 57.61 2daw h GLU 71 Cb 1.24 -0.02 -0.23 0.00 0.50 0.00 0.00 28.75 30.24 2daw h GLU 71 CO 0.94 0.98 0.10 -2.00 -1.00 0.00 0.00 179.01 178.03 2daw s GLU 72 N -4.51 0.51 0.20 2.33 2.12 -1.26 -3.37 118.70 114.72 2daw s GLU 72 Ca -0.09 1.07 -0.30 0.00 0.36 0.00 0.00 54.97 56.00 2daw s GLU 72 Cb 0.12 0.42 -0.09 0.00 0.26 0.00 0.00 34.13 34.85 2daw s GLU 72 CO 0.85 -0.14 1.30 -1.25 -0.54 0.00 0.00 175.26 175.48 2daw s PRO 73 N 2.14 4.40 -0.86 4.30 0.04 -1.26 -4.67 135.00 139.09 2daw s PRO 73 Ca -0.07 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 62.81 2daw s PRO 73 Cb -0.07 -3.20 -0.21 0.00 0.04 0.00 0.00 34.50 31.06 2daw s PRO 73 CO -0.18 -0.24 2.33 1.17 0.04 0.00 0.00 177.00 180.12 2daw n LYS 74 N 2.57 0.37 -4.24 4.56 3.00 -1.22 -4.77 118.16 118.43 2daw n LYS 74 Ca 0.06 -0.51 -0.15 0.00 -0.00 0.00 0.00 58.31 57.70 2daw n LYS 74 Cb 0.43 -2.70 -0.09 0.00 0.00 0.00 0.00 35.03 32.66 2daw n LYS 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 2daw s VAL 75 N 9.48 0.01 -0.08 3.15 -7.23 -1.20 -5.04 120.40 119.49 2daw s VAL 75 Ca 1.08 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 59.28 2daw s VAL 75 Cb -0.41 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.04 2daw s VAL 75 CO 0.27 0.00 -0.18 -0.75 -0.31 0.00 0.00 175.10 174.13 2daw s LYS 76 N -3.87 2.35 -0.26 4.82 2.20 -1.26 -2.76 119.74 120.96 2daw s LYS 76 Ca 0.40 -0.64 0.01 0.00 -0.36 0.00 0.00 55.97 55.37 2daw s LYS 76 Cb 0.05 -1.84 0.07 0.00 -1.51 0.00 0.00 37.83 34.61 2daw s LYS 76 CO 0.18 0.11 -0.00 0.42 -0.36 0.00 0.00 175.35 175.70 2daw s ILE 77 N 0.49 1.42 -0.10 5.43 1.01 -1.20 -4.65 121.20 123.60 2daw s ILE 77 Ca -0.16 -1.36 -0.29 0.00 0.00 0.00 0.00 60.65 58.83 2daw s ILE 77 Cb -0.17 -1.83 -0.05 0.00 0.01 0.00 0.00 42.46 40.42 2daw s ILE 77 CO 0.06 -0.29 1.72 -1.81 0.00 0.00 0.00 174.94 174.62 2daw s ASP 78 N 1.41 6.49 -0.32 3.58 1.01 -1.05 -2.12 116.67 125.66 2daw s ASP 78 Ca -0.00 2.11 -0.06 0.00 0.71 0.00 0.00 52.55 55.31 2daw s ASP 78 Cb -0.18 -2.53 0.03 0.00 1.01 0.00 0.00 42.92 41.25 2daw s ASP 78 CO -0.10 -1.09 0.08 -0.22 0.21 0.00 0.00 175.17 174.05 2daw s LEU 79 N 4.65 4.12 -0.59 1.23 2.96 -0.09 -2.75 118.68 128.23 2daw s LEU 79 Ca 0.76 -1.03 -0.22 0.00 -0.22 0.00 0.00 54.13 53.43 2daw s LEU 79 Cb -0.32 -1.85 0.06 0.00 0.50 0.00 0.00 46.19 44.58 2daw s LEU 79 CO 0.31 -0.28 0.84 -1.10 -1.32 0.00 0.00 176.35 174.80 2daw s GLN 80 N 1.41 3.16 -0.10 1.98 -0.21 -0.33 -0.12 119.66 125.46 2daw s GLN 80 Ca -0.01 -0.77 -0.11 0.00 0.02 0.00 0.00 55.36 54.49 2daw s GLN 80 Cb -0.19 -4.16 -0.05 0.00 1.00 0.00 0.00 33.01 29.62 2daw s GLN 80 CO 0.02 -1.55 0.27 0.54 -2.12 0.00 0.00 175.29 172.45 2daw s VAL 81 N 3.50 5.29 -0.20 1.09 0.11 -0.60 -1.94 120.40 127.65 2daw s VAL 81 Ca 0.21 0.50 -0.03 0.00 -2.93 0.00 0.00 61.98 59.73 2daw s VAL 81 Cb -0.17 -3.56 0.07 0.00 -1.53 0.00 0.00 36.38 31.18 2daw s VAL 81 CO 0.12 0.54 0.06 -0.89 -3.33 0.00 0.00 175.10 171.60 2daw s THR 82 N -0.59 0.35 -0.47 5.04 2.01 -0.90 -2.31 115.64 118.77 2daw s THR 82 Ca 0.18 -0.53 -0.11 0.00 0.31 0.00 0.00 61.69 61.54 2daw s THR 82 Cb -0.14 -0.96 0.11 0.00 0.01 0.00 0.00 72.50 71.52 2daw s THR 82 CO 0.07 -0.30 0.35 -0.04 -0.69 0.00 0.00 174.62 174.00 2daw s MET 83 N 1.93 2.62 0.22 4.92 -1.94 -1.19 -3.13 119.30 122.74 2daw s MET 83 Ca 0.01 -1.64 -0.04 0.00 -1.71 0.00 0.00 55.69 52.32 2daw s MET 83 Cb -0.17 -3.95 0.05 0.00 2.01 0.00 0.00 34.83 32.77 2daw s MET 83 CO -0.12 -1.13 0.20 -0.35 -0.01 0.00 0.00 175.02 173.61 2daw n PRO 84 N 4.98 -1.41 0.00 2.03 -0.04 -1.26 -3.32 135.00 135.98 2daw n PRO 84 Ca -0.10 -0.31 0.08 0.00 -0.04 0.00 0.00 63.50 63.13 2daw n PRO 84 Cb 0.41 -0.29 0.48 0.00 -0.04 0.00 0.00 33.50 34.06 2daw n PRO 84 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2daw n HIS 85 N -2.93 0.00 -0.05 0.54 8.25 -1.26 -3.79 115.22 115.97 2daw n HIS 85 Ca 0.03 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.43 2daw n HIS 85 Cb 0.11 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.20 2daw n HIS 85 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2daw n SER 86 N -0.81 1.30 -3.53 0.41 7.64 -1.26 -4.74 113.62 112.62 2daw n SER 86 Ca 0.12 0.22 -0.32 0.00 1.01 0.00 0.00 58.87 59.89 2daw n SER 86 Cb 0.06 -0.62 0.01 0.00 -1.01 0.00 0.00 64.21 62.64 2daw n SER 86 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2daw n TYR 87 N -3.80 -2.40 0.23 1.43 4.19 -1.25 -2.61 117.16 112.95 2daw n TYR 87 Ca -0.09 0.38 0.10 0.00 3.31 0.00 0.00 57.90 61.61 2daw n TYR 87 Cb 0.32 -1.41 0.52 0.00 0.49 0.00 0.00 39.34 39.27 2daw n TYR 87 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 2daw h PRO 88 N -0.00 0.00 -0.73 2.98 0.13 -1.88 -3.44 132.00 129.06 2daw h PRO 88 Ca -0.34 0.00 0.23 0.00 -0.87 0.00 0.00 66.00 65.02 2daw h PRO 88 Cb 1.21 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 2daw h PRO 88 CO 0.35 0.21 0.13 0.66 -0.23 0.00 0.00 178.00 179.12 2daw n TYR 89 N -3.47 0.58 -3.96 1.56 4.02 -1.07 -4.23 117.16 110.59 2daw n TYR 89 Ca -0.00 0.87 -0.27 0.00 -0.01 0.00 0.00 57.90 58.49 2daw n TYR 89 Cb 0.39 -1.12 -0.03 0.00 -0.02 0.00 0.00 39.34 38.56 2daw n TYR 89 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 2daw s LEU 90 N -9.79 4.28 -0.63 7.72 0.20 -1.24 -4.65 118.68 114.57 2daw s LEU 90 Ca -0.09 0.15 -0.27 0.00 0.69 0.00 0.00 54.13 54.62 2daw s LEU 90 Cb 0.22 -2.86 -0.01 0.00 -0.43 0.00 0.00 46.19 43.12 2daw s LEU 90 CO 0.57 0.07 1.67 0.00 -0.29 0.00 0.00 176.35 178.37 2daw s ALA 91 N -1.71 2.40 1.20 5.97 0.00 -1.26 -3.99 121.76 124.37 2daw s ALA 91 Ca 0.34 -0.79 -0.18 0.00 0.00 0.00 0.00 51.96 51.34 2daw s ALA 91 Cb -0.11 -4.26 0.24 0.00 0.00 0.00 0.00 23.12 18.99 2daw s ALA 91 CO 0.28 -3.60 0.51 1.47 0.00 0.00 0.00 175.76 174.42 2daw n LEU 92 N 11.52 -1.33 -4.13 0.00 -0.00 -1.26 -5.01 117.00 116.78 2daw n LEU 92 Ca 0.15 -0.46 -0.31 0.00 -0.00 0.00 0.00 56.01 55.40 2daw n LEU 92 Cb 0.51 -0.94 -0.17 0.00 -0.00 0.00 0.00 43.42 42.82 2daw n LEU 92 CO 0.71 -3.64 -0.53 -1.58 -0.00 0.00 0.00 177.39 172.35 2daw s GLN 93 N -4.06 2.75 0.18 1.47 2.00 -1.18 -5.03 119.66 115.79 2daw s GLN 93 Ca 0.54 -0.76 0.10 0.00 -2.00 0.00 0.00 55.36 53.24 2daw s GLN 93 Cb -0.12 -2.25 -0.04 0.00 0.80 0.00 0.00 33.01 31.40 2daw s GLN 93 CO 0.51 -0.02 -0.21 -0.51 -0.50 0.00 0.00 175.29 174.56 2daw s LEU 94 N 0.85 2.44 -0.16 3.68 1.43 -1.26 -2.11 118.68 123.56 2daw s LEU 94 Ca -0.07 -0.87 -0.04 0.00 -1.03 0.00 0.00 54.13 52.11 2daw s LEU 94 Cb -0.15 -0.99 0.06 0.00 0.03 0.00 0.00 46.19 45.14 2daw s LEU 94 CO -0.01 0.04 0.08 0.12 0.23 0.00 0.00 176.35 176.80 2daw s PHE 95 N -1.89 0.27 -0.32 0.29 5.36 -0.82 -4.94 117.98 115.94 2daw s PHE 95 Ca 0.18 -0.30 -0.06 0.00 -0.96 0.00 0.00 56.93 55.79 2daw s PHE 95 Cb -0.07 -0.70 0.03 0.00 -0.34 0.00 0.00 43.02 41.94 2daw s PHE 95 CO 0.08 -0.48 0.08 0.20 -1.46 0.00 0.00 175.22 173.64 2daw s GLY 96 N 2.11 1.80 -0.03 13.12 0.00 -1.26 -1.19 107.32 121.87 2daw s GLY 96 Ca 0.02 -1.64 -0.06 0.00 0.00 0.00 0.00 44.72 43.04 2daw s GLY 96 CO -0.08 0.71 0.14 1.09 0.00 0.00 0.00 173.10 174.96 2daw s ARG 97 N 1.41 0.31 0.02 2.90 1.04 -1.11 -4.75 118.95 118.76 2daw s ARG 97 Ca -0.01 -0.08 -0.00 0.00 -1.04 0.00 0.00 55.73 54.60 2daw s ARG 97 Cb -0.19 0.13 -0.02 0.00 -2.04 0.00 0.00 34.95 32.84 2daw s ARG 97 CO 0.02 -0.06 -0.02 0.45 -0.04 0.00 0.00 175.30 175.65 2daw s SER 98 N -0.58 0.19 0.26 -2.89 0.15 -1.26 -2.53 113.70 107.04 2daw s SER 98 Ca -0.07 -0.41 -0.03 0.00 0.70 0.00 0.00 55.95 56.15 2daw s SER 98 Cb -0.04 0.09 0.53 0.00 -1.71 0.00 0.00 66.02 64.89 2daw s SER 98 CO 0.01 -0.26 1.69 0.77 1.20 0.00 0.00 173.24 176.65 2daw h SER 99 N 4.87 0.08 0.67 5.45 4.64 -2.02 -2.49 113.55 124.74 2daw h SER 99 Ca -0.31 0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.13 2daw h SER 99 Cb 1.21 0.19 0.01 0.00 -0.31 0.00 0.00 62.40 63.50 2daw h SER 99 CO 0.43 -0.04 -0.32 -0.33 -0.87 0.00 0.00 176.83 175.70 2daw h GLU 100 N 0.30 -0.86 -5.89 4.77 4.39 -1.96 -3.45 114.58 111.87 2daw h GLU 100 Ca 0.46 0.06 -0.56 0.00 0.34 0.00 0.00 59.36 59.65 2daw h GLU 100 Cb 0.81 0.20 0.21 0.00 -0.10 0.00 0.00 28.75 29.86 2daw h GLU 100 CO -0.53 -0.58 -1.51 1.28 -1.16 0.00 0.00 179.01 176.52 2daw n LEU 101 N -4.83 -4.85 -4.84 1.33 4.77 -0.94 -4.99 117.00 102.64 2daw n LEU 101 Ca -0.11 0.40 -0.28 0.00 -0.03 0.00 0.00 56.01 55.98 2daw n LEU 101 Cb 0.35 -0.79 -0.03 0.00 -2.33 0.00 0.00 43.42 40.62 2daw n LEU 101 CO 0.27 -5.37 -0.07 -1.81 -1.33 0.00 0.00 177.39 169.09 2daw s ASP 102 N -0.98 4.46 0.07 -1.43 1.01 -1.26 -4.79 116.67 113.75 2daw s ASP 102 Ca 0.47 -1.35 -0.35 0.00 0.71 0.00 0.00 52.55 52.03 2daw s ASP 102 Cb -0.32 0.35 -0.19 0.00 1.01 0.00 0.00 42.92 43.77 2daw s ASP 102 CO 0.74 -0.97 1.60 -0.09 0.21 0.00 0.00 175.17 176.66 2daw h ARG 103 N 1.01 -1.01 -0.40 8.23 2.43 -1.97 0.02 114.38 122.69 2daw h ARG 103 Ca -0.40 0.07 0.04 0.00 -0.81 0.00 0.00 59.98 58.89 2daw h ARG 103 Cb 1.30 0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 31.04 2daw h ARG 103 CO 0.64 -0.67 0.15 1.25 -1.51 0.00 0.00 179.97 179.82 2daw h HIS 104 N -1.05 0.27 0.45 2.20 2.76 -2.01 -2.78 115.15 114.99 2daw h HIS 104 Ca -0.10 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.08 2daw h HIS 104 Cb 0.83 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.70 2daw h HIS 104 CO -0.06 0.11 -0.46 1.96 -1.30 0.00 0.00 177.93 178.19 2daw h GLN 105 N 0.32 -0.88 -0.81 5.26 1.08 -1.94 -2.98 115.11 115.16 2daw h GLN 105 Ca 0.18 0.06 0.07 0.00 -1.45 0.00 0.00 58.65 57.51 2daw h GLN 105 Cb 0.15 0.20 -0.10 0.00 -0.05 0.00 0.00 27.48 27.68 2daw h GLN 105 CO -0.17 -0.58 -0.48 1.04 -0.95 0.00 0.00 178.83 177.68 2daw n GLN 106 N -5.21 -0.36 -0.35 1.46 6.02 -0.02 -0.57 117.38 118.35 2daw n GLN 106 Ca -0.11 1.40 -0.02 0.00 -0.01 0.00 0.00 57.00 58.25 2daw n GLN 106 Cb 0.42 -2.06 0.02 0.00 1.02 0.00 0.00 30.24 29.64 2daw n GLN 106 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2daw n LEU 107 N -4.84 -0.65 -0.05 1.08 4.77 -1.06 0.27 117.00 116.53 2daw n LEU 107 Ca 0.02 1.59 -0.08 0.00 -0.03 0.00 0.00 56.01 57.51 2daw n LEU 107 Cb 0.21 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 40.95 2daw n LEU 107 CO -0.13 -1.41 0.78 -0.07 -1.33 0.00 0.00 177.39 175.23 2daw h LEU 108 N 0.00 -0.40 0.36 2.23 3.38 -0.69 0.83 115.31 121.02 2daw h LEU 108 Ca 0.29 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.34 2daw h LEU 108 Cb 0.52 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 2daw h LEU 108 CO -0.89 -0.15 -0.21 0.25 0.09 0.00 0.00 178.44 177.53 2daw h LEU 109 N -0.09 -0.52 -0.64 1.67 5.85 0.62 -0.66 115.31 121.53 2daw h LEU 109 Ca 0.13 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.97 2daw h LEU 109 Cb 0.28 0.15 -0.11 0.00 0.37 0.00 0.00 40.66 41.35 2daw h LEU 109 CO -0.30 -0.33 -0.41 0.78 -0.34 0.00 0.00 178.44 177.84 2daw h ASN 110 N -0.53 -1.44 -0.16 1.25 2.35 -0.61 -0.31 115.58 116.14 2daw h ASN 110 Ca -0.05 0.25 0.05 0.00 -0.55 0.00 0.00 56.30 56.00 2daw h ASN 110 Cb 0.42 0.68 -0.07 0.00 0.05 0.00 0.00 38.32 39.40 2daw h ASN 110 CO 0.06 -0.32 -0.41 0.50 -1.65 0.00 0.00 177.43 175.61 2daw h LYS 111 N -0.18 -0.45 -0.82 0.81 3.64 -0.80 0.28 116.57 119.05 2daw h LYS 111 Ca 0.21 0.03 0.19 0.00 -1.27 0.00 0.00 60.65 59.81 2daw h LYS 111 Cb 0.56 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.43 2daw h LYS 111 CO -0.73 -0.30 0.55 0.78 -2.27 0.00 0.00 179.45 177.49 2daw h GLY 112 N -0.47 0.56 0.12 5.01 0.00 0.14 -2.53 103.07 105.91 2daw h GLY 112 Ca 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 2daw h GLY 112 CO -0.41 0.01 -0.06 -2.00 0.00 0.00 0.00 176.54 174.08 2daw h LEU 113 N 0.28 -0.14 -0.75 3.11 5.85 0.66 -3.06 115.31 121.26 2daw h LEU 113 Ca 0.41 0.00 0.17 0.00 0.84 0.00 0.00 57.88 59.30 2daw h LEU 113 Cb 1.17 0.04 -0.14 0.00 0.37 0.00 0.00 40.66 42.09 2daw h LEU 113 CO -0.11 0.15 -0.13 0.35 -0.34 0.00 0.00 178.44 178.36 2daw n THR 114 N -3.84 -0.32 -0.09 1.05 -2.24 0.77 0.16 114.28 109.77 2daw n THR 114 Ca -0.02 1.71 -0.09 0.00 -2.27 0.00 0.00 64.05 63.38 2daw n THR 114 Cb 0.07 -2.40 -0.02 0.00 -2.10 0.00 0.00 70.33 65.87 2daw n THR 114 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2daw h SER 115 N 0.00 0.37 -0.73 3.42 0.02 -1.58 0.82 113.55 115.88 2daw h SER 115 Ca 0.39 -0.07 0.09 0.00 -0.84 0.00 0.00 61.79 61.36 2daw h SER 115 Cb 0.66 -0.10 -0.07 0.00 0.14 0.00 0.00 62.40 63.04 2daw h SER 115 CO -0.76 0.34 0.38 0.22 -1.14 0.00 0.00 176.83 175.87 2daw h TYR 116 N 0.38 0.69 0.00 3.45 3.20 0.17 -0.24 116.97 124.62 2daw h TYR 116 Ca 0.11 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 2daw h TYR 116 Cb 0.04 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 2daw h TYR 116 CO -0.04 0.27 -0.28 0.82 -1.64 0.00 0.00 178.16 177.30 2daw h ILE 117 N 0.66 0.56 -0.13 1.81 1.08 -0.87 -3.01 117.51 117.61 2daw h ILE 117 Ca 0.35 -1.45 0.00 0.00 -0.39 0.00 0.00 64.86 63.37 2daw h ILE 117 Cb 0.34 2.01 0.00 0.00 -3.07 0.00 0.00 36.82 36.10 2daw h ILE 117 CO -0.25 0.27 0.00 0.61 -0.69 0.00 0.00 178.15 178.09 2daw n GLY 118 N 0.64 -0.19 0.47 5.37 0.00 0.26 -3.32 105.19 108.41 2daw n GLY 118 Ca 0.01 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 45.96 2daw n GLY 118 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2daw n THR 119 N -0.08 1.84 -4.00 2.61 -2.24 -1.03 -5.02 114.28 106.36 2daw n THR 119 Ca 0.05 -1.81 -0.23 0.00 -2.27 0.00 0.00 64.05 59.79 2daw n THR 119 Cb 0.14 -0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.27 2daw n THR 119 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2daw s PHE 120 N -2.41 3.38 0.21 4.78 0.40 -1.21 -5.10 117.98 118.02 2daw s PHE 120 Ca 0.31 -0.01 -0.18 0.00 -0.60 0.00 0.00 56.93 56.46 2daw s PHE 120 Cb 0.25 -1.56 -0.08 0.00 0.51 0.00 0.00 43.02 42.15 2daw s PHE 120 CO 0.07 0.48 0.68 -0.51 0.70 0.00 0.00 175.22 176.63 2daw s ASP 121 N -3.74 6.98 -0.77 1.36 1.01 -1.26 -4.99 116.67 115.26 2daw s ASP 121 Ca 0.34 1.32 -0.25 0.00 0.71 0.00 0.00 52.55 54.66 2daw s ASP 121 Cb -0.09 -2.38 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 2daw s ASP 121 CO 0.28 0.04 1.91 -2.16 0.21 0.00 0.00 175.17 175.44 2daw s PRO 122 N -2.02 2.59 0.00 8.23 0.04 -1.26 -3.32 135.00 139.26 2daw s PRO 122 Ca 0.42 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.57 2daw s PRO 122 Cb -0.16 -4.76 0.00 0.00 0.04 0.00 0.00 34.50 29.62 2daw s PRO 122 CO 0.20 -3.09 0.00 0.41 0.04 0.00 0.00 177.00 174.56 2daw n GLY 123 N 6.34 0.73 3.90 0.56 0.00 -1.26 -4.76 105.19 110.69 2daw n GLY 123 Ca 0.31 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 46.09 2daw n GLY 123 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2daw s GLU 124 N 0.00 2.58 0.57 1.61 -1.05 -1.21 -4.91 118.70 116.30 2daw s GLU 124 Ca 0.00 -1.48 -0.15 0.00 -0.15 0.00 0.00 54.97 53.18 2daw s GLU 124 Cb 0.00 -2.44 -0.05 0.00 -0.44 0.00 0.00 34.13 31.20 2daw s GLU 124 CO 0.00 -0.20 1.03 -0.51 0.95 0.00 0.00 175.26 176.53 2daw s LEU 125 N -4.16 3.50 0.00 1.83 1.43 -1.26 -4.58 118.68 115.43 2daw s LEU 125 Ca 0.49 1.69 0.00 0.00 -1.03 0.00 0.00 54.13 55.28 2daw s LEU 125 Cb -0.04 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.66 2daw s LEU 125 CO 0.29 -0.96 0.00 0.00 0.23 0.00 0.00 176.35 175.91 2daw h VAL 127 N 0.00 0.71 0.00 0.00 3.04 -1.99 0.14 116.25 118.15 2daw h VAL 127 Ca 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.65 2daw h VAL 127 Cb 0.72 0.87 -0.01 0.00 -2.01 0.00 0.00 31.29 30.87 2daw h VAL 127 CO 0.00 0.00 -0.18 0.00 -1.01 0.00 0.00 177.57 176.38 2daw n ALA 129 N -2.23 1.57 -0.10 0.00 0.00 0.40 -4.17 120.51 115.97 2daw n ALA 129 Ca -0.01 -0.91 0.01 0.00 0.00 0.00 0.00 53.44 52.54 2daw n ALA 129 Cb 0.36 -0.66 0.30 0.00 0.00 0.00 0.00 19.45 19.45 2daw n ALA 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2daw h ALA 130 N 1.06 1.49 0.89 0.00 0.00 -1.12 -0.47 119.26 121.12 2daw h ALA 130 Ca -0.34 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 2daw h ALA 130 Cb 2.02 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 19.60 2daw h ALA 130 CO 0.06 0.42 -0.43 0.82 0.00 0.00 0.00 179.25 180.12 2daw h ILE 131 N 0.75 0.09 -0.45 0.00 2.04 -1.70 -1.85 117.51 116.39 2daw h ILE 131 Ca 0.19 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 66.00 2daw h ILE 131 Cb 0.04 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.18 2daw h ILE 131 CO -0.03 0.00 0.30 -0.61 0.00 0.00 0.00 178.15 177.81 2daw h GLN 132 N -1.24 0.59 -0.22 2.37 5.75 -1.71 -2.51 115.11 118.13 2daw h GLN 132 Ca -0.12 -0.04 0.05 0.00 -0.15 0.00 0.00 58.65 58.40 2daw h GLN 132 Cb 0.92 -0.13 -0.07 0.00 1.07 0.00 0.00 27.48 29.26 2daw h GLN 132 CO 0.20 0.39 -0.40 2.35 -2.65 0.00 0.00 178.83 178.72 2daw h TRP 133 N 0.61 -1.13 0.14 3.99 7.01 -1.05 -0.49 115.95 125.03 2daw h TRP 133 Ca 0.17 0.05 0.02 0.00 2.11 0.00 0.00 58.89 61.24 2daw h TRP 133 Cb -0.06 0.53 -0.04 0.00 -2.10 0.00 0.00 29.16 27.48 2daw h TRP 133 CO -0.05 -0.45 -0.38 -0.07 -2.79 0.00 0.00 178.44 174.70 2daw h LEU 134 N -0.42 -1.12 -0.29 0.65 3.38 -1.18 0.20 115.31 116.54 2daw h LEU 134 Ca 0.10 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.23 2daw h LEU 134 Cb 0.60 0.42 -0.06 0.00 0.09 0.00 0.00 40.66 41.70 2daw h LEU 134 CO -0.44 -0.47 -0.44 1.56 0.09 0.00 0.00 178.44 178.74 2daw h GLN 135 N -0.63 -0.33 -0.93 1.13 4.20 -1.00 1.39 115.11 118.94 2daw h GLN 135 Ca 0.02 0.02 0.12 0.00 0.06 0.00 0.00 58.65 58.87 2daw h GLN 135 Cb 0.65 0.07 -0.08 0.00 0.30 0.00 0.00 27.48 28.42 2daw h GLN 135 CO -0.21 -0.22 0.56 0.22 -0.67 0.00 0.00 178.83 178.51 2daw h ASP 136 N -0.34 0.80 -1.78 1.46 1.82 -0.93 -2.36 116.42 115.08 2daw h ASP 136 Ca 0.05 0.05 -0.67 0.00 -0.39 0.00 0.00 57.03 56.08 2daw h ASP 136 Cb 0.48 -0.10 -0.35 0.00 0.68 0.00 0.00 39.33 40.04 2daw h ASP 136 CO -0.45 0.42 0.06 0.59 -1.61 0.00 0.00 179.24 178.25 2daw n ASN 137 N -4.69 5.93 -0.09 2.28 3.02 0.69 -4.63 115.26 117.76 2daw n ASN 137 Ca 0.17 -3.76 -0.16 0.00 -0.03 0.00 0.00 54.58 50.80 2daw n ASN 137 Cb 0.35 -0.74 -0.08 0.00 -0.61 0.00 0.00 39.78 38.70 2daw n ASN 137 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2daw n SER 138 N -0.47 2.15 0.03 6.41 2.88 0.46 -4.62 113.62 120.46 2daw n SER 138 Ca 0.45 0.02 -0.14 0.00 -1.33 0.00 0.00 58.87 57.87 2daw n SER 138 Cb 0.46 -0.39 -0.04 0.00 -0.75 0.00 0.00 64.21 63.49 2daw n SER 138 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2daw h ALA 139 N -0.25 0.39 -1.17 -1.46 0.00 -1.82 -3.22 119.26 111.74 2daw h ALA 139 Ca -0.44 -0.64 0.38 0.00 0.00 0.00 0.00 54.91 54.21 2daw h ALA 139 Cb 1.56 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 19.20 2daw h ALA 139 CO -0.15 0.74 0.72 1.03 0.00 0.00 0.00 179.25 181.60 2daw h SER 140 N 0.36 0.35 0.06 0.00 0.87 -1.85 0.11 113.55 113.45 2daw h SER 140 Ca -0.06 0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2daw h SER 140 Cb 1.45 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.54 2daw h SER 140 CO 0.16 -0.15 -0.03 1.88 -0.53 0.00 0.00 176.83 178.15 2daw h TYR 141 N 0.18 -0.08 -0.57 2.24 0.05 -1.82 -3.35 116.97 113.63 2daw h TYR 141 Ca 0.77 -0.00 0.11 0.00 0.05 0.00 0.00 58.73 59.65 2daw h TYR 141 Cb 2.15 0.03 -0.11 0.00 1.01 0.00 0.00 36.73 39.81 2daw h TYR 141 CO -0.01 0.37 -0.26 0.74 -1.05 0.00 0.00 178.16 177.96 2daw h PHE 142 N -0.97 -0.66 0.00 4.88 -1.00 -1.12 -3.40 116.94 114.68 2daw h PHE 142 Ca -0.01 0.06 -0.64 0.00 2.81 0.00 0.00 57.97 60.20 2daw h PHE 142 Cb 0.48 0.38 -0.05 0.00 3.61 0.00 0.00 35.95 40.36 2daw h PHE 142 CO 0.11 -0.34 1.40 1.28 -1.61 0.00 0.00 178.31 179.15 2daw n LEU 143 N -5.43 0.55 -4.11 1.54 4.77 0.20 -4.87 117.00 109.66 2daw n LEU 143 Ca 0.05 0.47 -0.09 0.00 -0.03 0.00 0.00 56.01 56.41 2daw n LEU 143 Cb 0.34 -0.86 -0.09 0.00 -2.33 0.00 0.00 43.42 40.48 2daw n LEU 143 CO 0.04 -0.71 -0.25 0.21 -1.33 0.00 0.00 177.39 175.35 2daw s ASN 144 N 6.68 0.27 -0.69 -1.43 2.47 -1.26 -5.01 114.94 115.97 2daw s ASN 144 Ca 1.19 -1.12 -0.16 0.00 0.42 0.00 0.00 52.86 53.19 2daw s ASN 144 Cb -1.34 0.32 0.16 0.00 -1.45 0.00 0.00 41.25 38.94 2daw s ASN 144 CO 0.57 -0.75 0.68 -0.60 -3.72 0.00 0.00 177.10 173.27 2daw s ARG 145 N -4.02 3.28 -0.04 0.43 6.06 -1.26 -5.01 118.95 118.39 2daw s ARG 145 Ca 0.21 -1.97 -0.02 0.00 -2.50 0.00 0.00 55.73 51.46 2daw s ARG 145 Cb 0.07 -4.39 0.03 0.00 0.06 0.00 0.00 34.95 30.73 2daw s ARG 145 CO 0.00 -1.37 0.08 0.21 -2.50 0.00 0.00 175.30 171.72 2daw s LYS 146 N 1.23 -0.01 -0.79 5.12 2.20 -1.26 -5.10 119.74 121.13 2daw s LYS 146 Ca 0.12 0.33 -0.26 0.00 -0.36 0.00 0.00 55.97 55.80 2daw s LYS 146 Cb -0.20 -0.31 0.02 0.00 -1.51 0.00 0.00 37.83 35.84 2daw s LYS 146 CO -0.02 -0.23 1.44 -1.17 -0.36 0.00 0.00 175.35 175.01 2daw s LEU 147 N 1.56 3.25 -0.02 5.43 1.98 -1.26 -4.68 118.68 124.95 2daw s LEU 147 Ca -0.04 -0.56 0.03 0.00 -2.89 0.00 0.00 54.13 50.68 2daw s LEU 147 Cb -0.12 -2.56 -0.04 0.00 0.66 0.00 0.00 46.19 44.13 2daw s LEU 147 CO -0.04 -1.90 0.03 1.33 -1.89 0.00 0.00 176.35 173.87 2daw n VAL 148 N 6.70 0.16 -2.03 1.68 0.24 -1.26 -5.02 118.33 118.80 2daw n VAL 148 Ca 0.14 -0.12 -0.41 0.00 -2.04 0.00 0.00 64.34 61.91 2daw n VAL 148 Cb 0.50 -0.57 -0.02 0.00 -1.47 0.00 0.00 33.84 32.27 2daw n VAL 148 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2daw s SER 149 N -3.13 6.67 -0.20 -1.34 1.04 -1.26 -5.00 113.70 110.48 2daw s SER 149 Ca -0.01 2.67 -0.32 0.00 0.48 0.00 0.00 55.95 58.77 2daw s SER 149 Cb 0.01 -2.63 0.15 0.00 0.10 0.00 0.00 66.02 63.65 2daw s SER 149 CO 0.13 -0.68 1.17 -0.83 0.98 0.00 0.00 173.24 174.01 2daw s GLY 150 N 0.22 -0.19 0.91 7.32 0.00 -1.26 -5.17 107.32 109.16 2daw s GLY 150 Ca 0.57 2.04 -0.12 0.00 0.00 0.00 0.00 44.72 47.22 2daw s GLY 150 CO 0.45 0.83 1.09 2.56 0.00 0.00 0.00 173.10 178.03 2daw s PRO 151 N -1.68 1.13 0.28 2.90 0.04 -1.26 -5.08 135.00 131.32 2daw s PRO 151 Ca 0.06 0.77 0.09 0.00 0.04 0.00 0.00 61.00 61.95 2daw s PRO 151 Cb -0.01 -1.80 -0.06 0.00 0.04 0.00 0.00 34.50 32.68 2daw s PRO 151 CO -0.04 -2.32 -0.12 -1.12 0.04 0.00 0.00 177.00 173.45 2daw s SER 152 N -3.43 3.10 -0.08 6.66 0.01 -1.26 -5.14 113.70 113.56 2daw s SER 152 Ca 0.64 -1.12 -0.01 0.00 1.31 0.00 0.00 55.95 56.77 2daw s SER 152 Cb -0.18 -0.23 0.03 0.00 0.21 0.00 0.00 66.02 65.85 2daw s SER 152 CO 0.57 -0.19 -0.02 -0.44 0.41 0.00 0.00 173.24 173.57 2daw s SER 153 N -3.46 1.64 0.00 2.44 0.01 -1.26 -5.38 113.70 107.69 2daw s SER 153 Ca 0.29 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.42 2daw s SER 153 Cb 0.01 -0.52 0.00 0.00 0.21 0.00 0.00 66.02 65.72 2daw s SER 153 CO 0.12 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.22