#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 -0.43 0.10 1.61 0.15 -1.26 -5.17 113.70 108.70 2daw s SER 2 Ca 0.00 0.68 0.04 0.00 0.70 0.00 0.00 55.95 57.38 2daw s SER 2 Cb 0.00 0.64 -0.04 0.00 -1.71 0.00 0.00 66.02 64.91 2daw s SER 2 CO 0.00 -0.25 0.05 -0.44 1.20 0.00 0.00 173.24 173.80 2daw s SER 3 N -0.39 5.28 0.00 5.45 0.01 -1.26 -5.10 113.70 117.70 2daw s SER 3 Ca 0.00 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.14 2daw s SER 3 Cb -0.03 -1.33 0.00 0.00 0.21 0.00 0.00 66.02 64.87 2daw s SER 3 CO -0.02 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.39 2daw n GLY 4 N 0.32 1.23 3.91 3.44 0.00 -1.26 -5.17 105.19 107.66 2daw n GLY 4 Ca -0.09 0.52 -0.27 0.00 0.00 0.00 0.00 46.02 46.17 2daw n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2daw s SER 5 N 0.00 6.31 0.00 1.61 0.15 -1.26 -5.01 113.70 115.51 2daw s SER 5 Ca 0.00 0.85 0.22 0.00 0.70 0.00 0.00 55.95 57.72 2daw s SER 5 Cb 0.00 -2.21 -0.28 0.00 -1.71 0.00 0.00 66.02 61.82 2daw s SER 5 CO 0.00 -0.48 0.56 -1.54 1.20 0.00 0.00 173.24 172.98 2daw n SER 6 N -1.96 0.15 0.00 5.45 3.41 -1.26 -5.10 113.62 114.31 2daw n SER 6 Ca -0.00 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2daw n SER 6 Cb 0.55 1.68 0.00 0.00 -0.26 0.00 0.00 64.21 66.18 2daw n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2daw n GLY 7 N 1.27 0.54 2.24 5.00 0.00 -1.26 -4.84 105.19 108.14 2daw n GLY 7 Ca -0.05 -2.15 -0.30 0.00 0.00 0.00 0.00 46.02 43.52 2daw n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2daw n MET 8 N -0.06 3.13 -4.15 1.61 0.00 -1.26 -4.99 117.12 111.40 2daw n MET 8 Ca 0.00 -3.75 -0.12 0.00 0.00 0.00 0.00 57.70 53.83 2daw n MET 8 Cb 0.00 -2.28 -0.11 0.00 0.00 0.00 0.00 33.22 30.83 2daw n MET 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2daw s SER 9 N -2.64 1.21 1.26 7.83 0.15 -1.26 -5.15 113.70 115.10 2daw s SER 9 Ca 0.57 -0.86 -0.17 0.00 0.70 0.00 0.00 55.95 56.20 2daw s SER 9 Cb 0.46 0.05 0.29 0.00 -1.71 0.00 0.00 66.02 65.11 2daw s SER 9 CO -0.02 -0.34 0.78 0.00 1.20 0.00 0.00 173.24 174.86 2daw n ALA 10 N 0.43 -3.71 -3.14 5.45 0.00 -1.26 -5.06 120.51 113.23 2daw n ALA 10 Ca -0.15 -1.44 -0.13 0.00 0.00 0.00 0.00 53.44 51.72 2daw n ALA 10 Cb 0.59 -1.75 -0.12 0.00 0.00 0.00 0.00 19.45 18.17 2daw n ALA 10 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2daw s SER 11 N -2.46 -0.19 0.36 0.00 0.01 -1.26 -5.02 113.70 105.14 2daw s SER 11 Ca 0.65 0.37 0.26 0.00 1.31 0.00 0.00 55.95 58.54 2daw s SER 11 Cb -0.19 0.37 1.24 0.00 0.21 0.00 0.00 66.02 67.64 2daw s SER 11 CO 0.62 -0.07 1.32 0.52 0.41 0.00 0.00 173.24 176.03 2daw n VAL 12 N 3.12 -0.24 -0.23 3.43 0.31 -1.26 0.00 118.33 123.47 2daw n VAL 12 Ca -0.14 1.55 -0.08 0.00 -0.01 0.00 0.00 64.34 65.66 2daw n VAL 12 Cb 0.58 -2.54 -0.03 0.00 -0.91 0.00 0.00 33.84 30.94 2daw n VAL 12 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2daw h LYS 13 N 0.00 -0.18 0.15 5.55 1.57 -1.95 -1.04 116.57 120.67 2daw h LYS 13 Ca 0.74 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.53 2daw h LYS 13 Cb 2.31 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 34.66 2daw h LYS 13 CO -0.43 -0.12 -0.17 0.93 -0.57 0.00 0.00 179.45 179.08 2daw h GLU 14 N -0.19 -0.32 -0.73 3.15 4.39 -0.84 0.79 114.58 120.83 2daw h GLU 14 Ca 0.20 0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.98 2daw h GLU 14 Cb 0.56 0.07 -0.09 0.00 -0.10 0.00 0.00 28.75 29.19 2daw h GLU 14 CO -0.73 -0.21 -0.43 -1.13 -1.16 0.00 0.00 179.01 175.35 2daw n SER 15 N -3.36 -0.77 0.02 1.42 3.41 -0.98 0.16 113.62 113.51 2daw n SER 15 Ca -0.04 1.38 0.00 0.00 -0.26 0.00 0.00 58.87 59.96 2daw n SER 15 Cb 0.15 -0.21 0.32 0.00 -0.26 0.00 0.00 64.21 64.21 2daw n SER 15 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2daw h LEU 16 N 0.00 0.44 0.59 1.04 3.38 -1.11 -2.76 115.31 116.89 2daw h LEU 16 Ca 0.12 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2daw h LEU 16 Cb 0.30 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.94 2daw h LEU 16 CO -0.69 0.52 -0.28 -0.61 0.09 0.00 0.00 178.44 177.47 2daw h GLN 17 N 0.46 -0.76 -0.23 1.13 5.75 0.84 -2.44 115.11 119.85 2daw h GLN 17 Ca 0.10 0.05 0.07 0.00 -0.15 0.00 0.00 58.65 58.72 2daw h GLN 17 Cb 0.32 0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.03 2daw h GLN 17 CO 0.01 -0.48 0.24 -0.07 -2.65 0.00 0.00 178.83 175.88 2daw h LEU 18 N -0.86 0.00 -0.76 -2.39 3.38 -0.03 0.34 115.31 114.99 2daw h LEU 18 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2daw h LEU 18 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2daw h LEU 18 CO 0.13 0.00 0.00 1.56 0.09 0.00 0.00 178.44 180.22 2daw h GLN 19 N 0.00 0.00 0.08 1.13 4.20 -1.14 -2.88 115.11 116.50 2daw h GLN 19 Ca 0.11 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.52 2daw h GLN 19 Cb 0.59 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 2daw h GLN 19 CO -0.00 0.00 -1.59 -0.07 -0.67 0.00 0.00 178.83 176.50 2daw h LEU 20 N 0.00 0.28 -1.59 1.46 3.38 -0.24 -3.08 115.31 115.51 2daw h LEU 20 Ca 0.00 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.18 2daw h LEU 20 Cb 0.40 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2daw h LEU 20 CO 0.00 1.67 0.25 0.17 0.09 0.00 0.00 178.44 180.62 2daw h LEU 21 N -0.37 0.45 -0.04 1.67 8.10 -1.44 -1.96 115.31 121.72 2daw h LEU 21 Ca -0.36 -0.02 -0.23 0.00 0.11 0.00 0.00 57.88 57.38 2daw h LEU 21 Cb 1.73 -0.11 -0.01 0.00 -0.44 0.00 0.00 40.66 41.82 2daw h LEU 21 CO -0.01 0.34 -1.04 1.05 -4.11 0.00 0.00 178.44 174.67 2daw h GLU 22 N 0.53 0.14 -0.71 0.17 4.11 -1.66 -3.22 114.58 113.95 2daw h GLU 22 Ca 0.14 -0.22 0.14 0.00 0.07 0.00 0.00 59.36 59.49 2daw h GLU 22 Cb -0.04 0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.19 2daw h GLU 22 CO -0.03 1.06 0.23 0.52 0.07 0.00 0.00 179.01 180.85 2daw h MET 23 N 0.05 0.35 -0.27 1.06 2.86 -1.26 0.21 114.93 117.93 2daw h MET 23 Ca -0.06 -0.02 -0.12 0.00 -2.06 0.00 0.00 59.70 57.44 2daw h MET 23 Cb 1.76 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 33.33 2daw h MET 23 CO 0.16 0.23 -0.30 1.05 1.06 0.00 0.00 176.91 179.10 2daw h GLU 24 N 0.36 0.69 -0.39 1.72 4.11 -1.62 -2.74 114.58 116.70 2daw h GLU 24 Ca 0.39 -0.37 -0.00 0.00 0.07 0.00 0.00 59.36 59.44 2daw h GLU 24 Cb 0.60 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2daw h GLU 24 CO -0.42 0.99 0.23 0.52 0.07 0.00 0.00 179.01 180.39 2daw h MET 25 N 0.42 0.52 0.07 1.06 2.86 -1.26 -2.54 114.93 116.06 2daw h MET 25 Ca 0.04 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2daw h MET 25 Cb 0.88 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.42 2daw h MET 25 CO 0.07 0.38 -0.04 -0.07 1.06 0.00 0.00 176.91 178.31 2daw h LEU 26 N 0.53 -0.08 -0.78 1.22 3.38 -0.53 -2.94 115.31 116.11 2daw h LEU 26 Ca 0.14 -0.35 0.15 0.00 0.09 0.00 0.00 57.88 57.91 2daw h LEU 26 Cb -0.01 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.67 2daw h LEU 26 CO -0.03 0.32 0.33 -0.26 0.09 0.00 0.00 178.44 178.89 2daw h PHE 27 N -0.51 0.56 -0.87 1.13 0.04 -1.21 0.19 116.94 116.28 2daw h PHE 27 Ca -0.01 0.04 0.04 0.00 2.80 0.00 0.00 57.97 60.84 2daw h PHE 27 Cb 0.43 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 38.40 2daw h PHE 27 CO 0.06 0.08 0.55 1.03 -0.60 0.00 0.00 178.31 179.43 2daw h SER 28 N 0.47 0.91 1.14 2.17 0.87 -1.44 -0.37 113.55 117.30 2daw h SER 28 Ca 0.43 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.99 2daw h SER 28 Cb 0.66 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2daw h SER 28 CO -0.41 0.61 -0.01 0.24 -0.53 0.00 0.00 176.83 176.74 2daw h MET 29 N 1.06 0.00 -3.24 2.24 2.86 -0.83 -3.35 114.93 113.66 2daw h MET 29 Ca 0.36 0.00 -0.64 0.00 -2.06 0.00 0.00 59.70 57.36 2daw h MET 29 Cb 0.05 0.00 -0.41 0.00 0.06 0.00 0.00 31.60 31.31 2daw h MET 29 CO -0.13 0.01 -0.55 -0.06 1.06 0.00 0.00 176.91 177.23 2daw s PHE 30 N -3.61 3.43 0.13 -0.22 0.08 -0.15 -4.93 117.98 112.71 2daw s PHE 30 Ca 0.02 -3.22 -0.12 0.00 0.12 0.00 0.00 56.93 53.72 2daw s PHE 30 Cb 0.08 -2.82 -0.06 0.00 -0.57 0.00 0.00 43.02 39.66 2daw s PHE 30 CO 0.56 -0.65 1.45 -1.00 -0.10 0.00 0.00 175.22 175.49 2daw h PRO 31 N 5.96 0.85 -6.79 0.24 0.13 -1.71 -3.45 132.00 127.24 2daw h PRO 31 Ca 0.05 -0.45 -0.53 0.00 -0.87 0.00 0.00 66.00 64.20 2daw h PRO 31 Cb 0.82 0.02 0.08 0.00 0.13 0.00 0.00 31.00 32.05 2daw h PRO 31 CO 0.72 1.09 0.92 -0.80 -0.23 0.00 0.00 178.00 179.70 2daw s ASN 32 N -6.73 6.34 0.22 1.44 0.01 -1.26 -4.90 114.94 110.06 2daw s ASN 32 Ca -0.12 2.97 -0.09 0.00 -0.71 0.00 0.00 52.86 54.91 2daw s ASN 32 Cb 0.10 -2.63 0.18 0.00 0.41 0.00 0.00 41.25 39.31 2daw s ASN 32 CO 0.86 -0.94 1.87 1.56 -1.51 0.00 0.00 177.10 178.94 2daw h GLN 33 N 5.11 1.11 -2.68 -0.60 4.20 -1.98 -3.13 115.11 117.14 2daw h GLN 33 Ca -0.47 -0.10 -0.53 0.00 0.06 0.00 0.00 58.65 57.62 2daw h GLN 33 Cb 1.22 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.76 2daw h GLN 33 CO 0.82 0.78 2.54 0.41 -0.67 0.00 0.00 178.83 182.71 2daw n GLY 34 N -1.22 3.92 1.45 3.46 0.00 -1.26 -4.10 105.19 107.44 2daw n GLY 34 Ca 0.08 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.67 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 3.17 0.00 -3.79 1.61 -0.58 -1.18 -4.77 120.64 115.10 2daw n GLU 35 Ca 0.68 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 57.05 2daw n GLU 35 Cb 0.44 -0.13 -0.12 0.00 -0.57 0.00 0.00 31.44 31.06 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 -1.46 4.51 -0.23 2.62 1.01 -1.26 -1.86 120.40 123.74 2daw s VAL 36 Ca 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 2daw s VAL 36 Cb 0.00 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.28 2daw s VAL 36 CO 0.00 0.35 -0.05 -0.54 0.00 0.00 0.00 175.10 174.85 2daw s LYS 37 N 1.42 3.16 -0.32 2.72 1.02 -0.99 -4.97 119.74 121.78 2daw s LYS 37 Ca 0.06 -0.77 -0.04 0.00 0.02 0.00 0.00 55.97 55.24 2daw s LYS 37 Cb -0.15 -2.99 0.05 0.00 -0.52 0.00 0.00 37.83 34.22 2daw s LYS 37 CO 0.04 -0.28 0.05 -0.51 -0.92 0.00 0.00 175.35 173.73 2daw s LEU 38 N 1.42 4.09 0.41 3.17 1.43 -1.26 -3.04 118.68 124.90 2daw s LEU 38 Ca 0.04 -1.24 0.28 0.00 -1.03 0.00 0.00 54.13 52.18 2daw s LEU 38 Cb -0.15 -1.78 1.44 0.00 0.03 0.00 0.00 46.19 45.73 2daw s LEU 38 CO -0.04 -0.29 1.58 -0.33 0.23 0.00 0.00 176.35 177.49 2daw h GLU 39 N 8.09 0.00 -2.68 1.70 5.08 -1.99 -3.37 114.58 121.41 2daw h GLU 39 Ca -0.22 -0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.01 2daw h GLU 39 Cb 1.07 -0.00 -0.28 0.00 0.50 0.00 0.00 28.75 30.04 2daw h GLU 39 CO 0.56 0.00 -0.37 -0.51 -1.00 0.00 0.00 179.01 177.70 2daw s ASP 40 N -4.37 -0.32 0.30 1.42 1.01 -1.26 -5.02 116.67 108.43 2daw s ASP 40 Ca -0.08 0.84 0.26 0.00 0.71 0.00 0.00 52.55 54.27 2daw s ASP 40 Cb 0.32 0.87 0.94 0.00 1.01 0.00 0.00 42.92 46.06 2daw s ASP 40 CO 0.81 -0.21 1.76 -0.37 0.21 0.00 0.00 175.17 177.37 2daw h VAL 41 N 5.84 0.00 0.00 -1.27 -1.51 -2.03 -2.80 116.25 114.48 2daw h VAL 41 Ca -0.29 -0.39 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 2daw h VAL 41 Cb 1.15 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 2daw h VAL 41 CO 0.24 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 177.17 2daw n ASN 42 N -2.42 0.04 -0.25 4.19 3.02 -1.26 -3.09 115.26 115.49 2daw n ASN 42 Ca 0.03 0.51 0.02 0.00 -0.03 0.00 0.00 54.58 55.11 2daw n ASN 42 Cb 0.32 -0.52 0.25 0.00 -0.61 0.00 0.00 39.78 39.22 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 2.60 1.50 -0.15 5.41 0.00 -1.83 -0.86 119.26 125.93 2daw h ALA 43 Ca 0.00 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 2daw h ALA 43 Cb 0.32 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2daw h ALA 43 CO 0.00 0.43 -0.64 -0.07 0.00 0.00 0.00 179.25 178.97 2daw h LEU 44 N 1.01 0.63 0.56 0.00 3.38 -1.80 -3.26 115.31 115.83 2daw h LEU 44 Ca 0.32 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2daw h LEU 44 Cb 0.02 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.59 2daw h LEU 44 CO -0.09 1.11 -0.27 0.74 0.09 0.00 0.00 178.44 180.02 2daw h THR 45 N 0.40 0.28 -0.93 0.22 2.02 -1.53 -3.10 112.91 110.27 2daw h THR 45 Ca -0.01 -0.38 0.27 0.00 0.77 0.00 0.00 66.41 67.06 2daw h THR 45 Cb 1.21 0.39 -0.17 0.00 -1.74 0.00 0.00 68.15 67.83 2daw h THR 45 CO 0.12 0.04 0.06 0.59 0.37 0.00 0.00 175.52 176.70 2daw n ASN 46 N -5.31 -0.07 0.27 4.18 3.02 -0.40 -0.67 115.26 116.28 2daw n ASN 46 Ca -0.11 1.58 -0.14 0.00 -0.03 0.00 0.00 54.58 55.88 2daw n ASN 46 Cb 0.33 -0.59 -0.07 0.00 -0.61 0.00 0.00 39.78 38.84 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 0.00 -0.98 2.41 2.04 -1.59 -2.10 117.51 117.29 2daw h ILE 47 Ca 0.59 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.76 2daw h ILE 47 Cb 1.25 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 37.15 2daw h ILE 47 CO -0.86 0.00 0.18 0.29 0.00 0.00 0.00 178.15 177.76 2daw n LYS 48 N -4.66 -0.07 -0.25 2.37 5.02 0.15 0.19 118.16 120.91 2daw n LYS 48 Ca -0.10 1.43 -0.04 0.00 -2.02 0.00 0.00 58.31 57.58 2daw n LYS 48 Cb 0.35 -2.37 0.12 0.00 -0.02 0.00 0.00 35.03 33.12 2daw n LYS 48 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2daw h ARG 49 N 0.00 1.10 0.23 1.97 3.08 -1.06 -3.00 114.38 116.70 2daw h ARG 49 Ca 0.67 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.53 2daw h ARG 49 Cb 1.53 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.40 2daw h ARG 49 CO -0.87 0.87 -0.11 -0.92 -1.07 0.00 0.00 179.97 177.87 2daw h TYR 50 N 1.08 -0.29 -1.13 3.04 5.03 0.28 -2.08 116.97 122.90 2daw h TYR 50 Ca 0.25 -0.01 0.32 0.00 2.58 0.00 0.00 58.73 61.87 2daw h TYR 50 Cb 0.17 0.09 -0.09 0.00 1.55 0.00 0.00 36.73 38.46 2daw h TYR 50 CO 0.02 -0.14 0.75 -0.07 -1.32 0.00 0.00 178.16 177.39 2daw h LEU 51 N -0.35 0.32 -0.34 2.82 3.38 -1.21 0.88 115.31 120.81 2daw h LEU 51 Ca -0.03 0.08 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 2daw h LEU 51 Cb 0.27 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2daw h LEU 51 CO 0.05 0.02 -0.83 -0.08 0.09 0.00 0.00 178.44 177.69 2daw h GLU 52 N 0.26 0.00 -1.17 1.13 4.57 -1.36 -3.48 114.58 114.52 2daw h GLU 52 Ca 0.64 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.82 2daw h GLU 52 Cb 1.88 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.47 2daw h GLU 52 CO -0.27 0.83 0.00 0.41 -1.18 0.00 0.00 179.01 178.80 2daw n GLY 53 N 0.87 0.51 0.00 1.92 0.00 0.30 -5.01 105.19 103.78 2daw n GLY 53 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2daw n GLY 53 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2daw n THR 54 N -0.59 0.00 -3.97 2.61 5.66 -1.16 -4.98 114.28 111.85 2daw n THR 54 Ca 0.00 -0.50 -0.29 0.00 -3.05 0.00 0.00 64.05 60.21 2daw n THR 54 Cb 0.28 1.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.90 2daw n THR 54 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 2daw s ARG 55 N -0.86 1.97 -0.07 1.09 3.52 -1.26 -5.02 118.95 118.32 2daw s ARG 55 Ca 0.00 -0.54 -0.27 0.00 -0.13 0.00 0.00 55.73 54.79 2daw s ARG 55 Cb 0.00 -2.04 -0.23 0.00 -1.56 0.00 0.00 34.95 31.12 2daw s ARG 55 CO 0.00 -0.30 1.07 0.93 -0.81 0.00 0.00 175.30 176.19 2daw h GLU 56 N 8.07 0.02 -6.32 5.12 5.08 -1.98 -3.44 114.58 121.13 2daw h GLU 56 Ca -0.33 -0.02 -0.57 0.00 -1.00 0.00 0.00 59.36 57.45 2daw h GLU 56 Cb 1.12 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.40 2daw h GLU 56 CO 0.48 0.71 1.19 0.00 -1.00 0.00 0.00 179.01 180.39 2daw n ALA 57 N -2.46 1.31 -1.59 3.43 0.00 -1.26 -4.86 120.51 115.09 2daw n ALA 57 Ca -0.09 0.23 -0.52 0.00 0.00 0.00 0.00 53.44 53.06 2daw n ALA 57 Cb 0.35 -2.62 -0.06 0.00 0.00 0.00 0.00 19.45 17.13 2daw n ALA 57 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2daw n LEU 58 N 7.28 1.60 -4.77 0.00 -0.00 -1.26 -4.91 117.00 114.94 2daw n LEU 58 Ca 0.21 1.12 -0.34 0.00 -0.00 0.00 0.00 56.01 57.00 2daw n LEU 58 Cb 0.36 -1.19 0.02 0.00 -0.00 0.00 0.00 43.42 42.62 2daw n LEU 58 CO 0.70 -1.08 0.76 -2.16 -0.00 0.00 0.00 177.39 175.61 2daw s PRO 59 N 0.41 3.11 -0.08 1.96 0.04 -1.26 -4.97 135.00 134.21 2daw s PRO 59 Ca 0.84 1.51 -0.30 0.00 0.04 0.00 0.00 61.00 63.09 2daw s PRO 59 Cb -0.95 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 31.56 2daw s PRO 59 CO 0.47 -1.03 1.51 -1.25 0.04 0.00 0.00 177.00 176.75 2daw s PRO 60 N -3.65 4.21 1.05 0.56 0.04 -1.26 -4.99 135.00 130.96 2daw s PRO 60 Ca 0.70 2.01 -0.18 0.00 0.04 0.00 0.00 61.00 63.57 2daw s PRO 60 Cb -0.22 -3.87 0.09 0.00 0.04 0.00 0.00 34.50 30.53 2daw s PRO 60 CO 0.33 -0.78 -0.09 0.36 0.04 0.00 0.00 177.00 176.87 2daw n LYS 61 N 6.79 -1.66 -3.36 4.56 2.85 -1.26 -4.86 118.16 121.22 2daw n LYS 61 Ca 0.16 -0.48 -0.46 0.00 -1.05 0.00 0.00 58.31 56.48 2daw n LYS 61 Cb 0.43 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 33.27 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 -2.13 5.24 -0.13 0.58 1.01 -1.22 -4.97 121.20 119.58 2daw s ILE 62 Ca 0.45 -2.02 0.01 0.00 0.00 0.00 0.00 60.65 59.09 2daw s ILE 62 Cb -0.06 -4.31 -0.01 0.00 0.01 0.00 0.00 42.46 38.09 2daw s ILE 62 CO 0.52 -0.93 -0.17 -0.70 0.00 0.00 0.00 174.94 173.65 2daw s GLU 63 N 0.87 3.22 0.30 2.79 2.12 -1.26 -2.94 118.70 123.80 2daw s GLU 63 Ca 0.10 -0.77 -0.06 0.00 0.36 0.00 0.00 54.97 54.60 2daw s GLU 63 Cb -0.21 -2.51 0.03 0.00 0.26 0.00 0.00 34.13 31.70 2daw s GLU 63 CO -0.03 0.15 0.51 1.97 -0.54 0.00 0.00 175.26 177.32 2daw n PHE 64 N 3.67 -1.65 -4.34 5.30 -1.74 -1.13 -4.49 117.46 113.09 2daw n PHE 64 Ca -0.19 -1.76 -0.25 0.00 -0.56 0.00 0.00 57.45 54.69 2daw n PHE 64 Cb 0.53 0.59 -0.17 0.00 1.52 0.00 0.00 39.48 41.95 2daw n PHE 64 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 2daw s VAL 65 N -2.54 1.09 -0.10 1.97 1.01 -1.17 -1.56 120.40 119.10 2daw s VAL 65 Ca 0.19 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 2daw s VAL 65 Cb -0.02 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 2daw s VAL 65 CO 0.14 0.36 -0.01 -0.63 0.00 0.00 0.00 175.10 174.95 2daw s ILE 66 N 1.03 4.19 -0.33 2.22 1.01 0.10 -2.36 121.20 127.05 2daw s ILE 66 Ca -0.08 -0.28 -0.18 0.00 0.00 0.00 0.00 60.65 60.11 2daw s ILE 66 Cb -0.15 -2.78 -0.01 0.00 0.01 0.00 0.00 42.46 39.54 2daw s ILE 66 CO -0.01 0.57 0.50 -0.89 0.00 0.00 0.00 174.94 175.11 2daw s THR 67 N -0.53 5.04 -0.91 2.92 2.01 -0.77 0.26 115.64 123.66 2daw s THR 67 Ca 0.09 0.42 -0.24 0.00 0.31 0.00 0.00 61.69 62.27 2daw s THR 67 Cb -0.12 -3.92 0.05 0.00 0.01 0.00 0.00 72.50 68.52 2daw s THR 67 CO 0.02 -0.14 1.35 -0.76 -0.69 0.00 0.00 174.62 174.40 2daw s LEU 68 N 2.34 3.57 -1.05 4.42 2.01 -0.23 -4.90 118.68 124.85 2daw s LEU 68 Ca 0.18 -1.19 -0.23 0.00 0.01 0.00 0.00 54.13 52.91 2daw s LEU 68 Cb -0.16 -2.55 -0.01 0.00 0.01 0.00 0.00 46.19 43.49 2daw s LEU 68 CO 0.12 -1.57 1.76 -1.10 1.01 0.00 0.00 176.35 176.58 2daw s GLN 69 N 4.97 3.08 -0.38 1.70 -1.52 -1.26 -3.81 119.66 122.43 2daw s GLN 69 Ca 0.41 -0.96 -0.27 0.00 -1.95 0.00 0.00 55.36 52.58 2daw s GLN 69 Cb -0.04 -5.26 -0.04 0.00 -0.22 0.00 0.00 33.01 27.46 2daw s GLN 69 CO -0.02 -2.96 2.06 0.42 -0.25 0.00 0.00 175.29 174.54 2daw s ILE 70 N 7.81 3.23 0.30 1.08 -1.09 -1.23 -4.84 121.20 126.45 2daw s ILE 70 Ca 0.60 0.20 -0.00 0.00 -2.23 0.00 0.00 60.65 59.22 2daw s ILE 70 Cb -0.02 -3.38 0.42 0.00 -1.58 0.00 0.00 42.46 37.90 2daw s ILE 70 CO 0.00 -0.30 1.54 -0.62 -1.23 0.00 0.00 174.94 174.33 2daw n GLU 71 N 8.78 -0.08 -3.63 2.79 -0.58 -1.26 -3.16 120.64 123.49 2daw n GLU 71 Ca 0.27 1.49 -0.04 0.00 -0.42 0.00 0.00 57.16 58.46 2daw n GLU 71 Cb 0.49 -2.33 -0.06 0.00 -0.57 0.00 0.00 31.44 28.98 2daw n GLU 71 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2daw s GLU 72 N -6.04 0.62 0.50 3.49 2.12 -1.26 -3.68 118.70 114.45 2daw s GLU 72 Ca -0.13 1.28 -0.21 0.00 0.36 0.00 0.00 54.97 56.26 2daw s GLU 72 Cb 0.28 0.47 -0.07 0.00 0.26 0.00 0.00 34.13 35.07 2daw s GLU 72 CO 0.77 -0.17 1.15 -1.25 -0.54 0.00 0.00 175.26 175.22 2daw s PRO 73 N 2.20 3.57 -0.60 4.30 0.04 -1.26 -4.65 135.00 138.59 2daw s PRO 73 Ca -0.08 1.70 -0.27 0.00 0.04 0.00 0.00 61.00 62.39 2daw s PRO 73 Cb -0.08 -2.21 -0.01 0.00 0.04 0.00 0.00 34.50 32.23 2daw s PRO 73 CO -0.19 -0.69 1.74 0.21 0.04 0.00 0.00 177.00 178.11 2daw s LYS 74 N -2.98 2.81 0.24 4.56 2.20 -1.19 -4.53 119.74 120.85 2daw s LYS 74 Ca 0.68 0.54 0.01 0.00 -0.36 0.00 0.00 55.97 56.84 2daw s LYS 74 Cb -0.26 -4.32 -0.04 0.00 -1.51 0.00 0.00 37.83 31.69 2daw s LYS 74 CO 0.31 -2.53 0.17 0.14 -0.36 0.00 0.00 175.35 173.09 2daw s VAL 75 N 8.23 0.00 -0.11 4.02 -7.23 -1.24 -5.02 120.40 119.05 2daw s VAL 75 Ca 0.63 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.81 2daw s VAL 75 Cb -0.12 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.30 2daw s VAL 75 CO 0.21 0.00 -0.14 -0.75 -0.31 0.00 0.00 175.10 174.11 2daw s LYS 76 N -3.96 3.22 -0.16 4.82 2.20 -1.26 -3.52 119.74 121.08 2daw s LYS 76 Ca 0.39 -0.70 -0.03 0.00 -0.36 0.00 0.00 55.97 55.27 2daw s LYS 76 Cb 0.06 -2.56 0.05 0.00 -1.51 0.00 0.00 37.83 33.86 2daw s LYS 76 CO 0.16 0.27 0.03 0.42 -0.36 0.00 0.00 175.35 175.88 2daw s ILE 77 N 0.18 0.43 -0.24 5.43 1.01 -1.25 -4.79 121.20 121.97 2daw s ILE 77 Ca -0.08 -0.36 -0.29 0.00 0.00 0.00 0.00 60.65 59.92 2daw s ILE 77 Cb -0.15 -0.87 -0.00 0.00 0.01 0.00 0.00 42.46 41.45 2daw s ILE 77 CO 0.05 -0.10 1.22 -1.81 0.00 0.00 0.00 174.94 174.29 2daw s ASP 78 N 1.91 6.87 -0.41 3.58 1.11 -1.22 -1.06 116.67 127.45 2daw s ASP 78 Ca 0.01 1.38 -0.10 0.00 0.18 0.00 0.00 52.55 54.02 2daw s ASP 78 Cb -0.16 -2.54 0.07 0.00 1.07 0.00 0.00 42.92 41.36 2daw s ASP 78 CO -0.07 -0.87 0.26 -0.22 1.18 0.00 0.00 175.17 175.44 2daw s LEU 79 N 3.78 5.09 -0.80 1.23 2.96 0.14 -2.42 118.68 128.67 2daw s LEU 79 Ca 0.52 -1.36 -0.25 0.00 -0.22 0.00 0.00 54.13 52.82 2daw s LEU 79 Cb -0.18 -2.02 0.04 0.00 0.50 0.00 0.00 46.19 44.54 2daw s LEU 79 CO 0.16 -0.51 1.28 -1.10 -1.32 0.00 0.00 176.35 174.86 2daw s GLN 80 N 1.48 3.28 0.05 1.98 -0.21 -0.30 -0.73 119.66 125.21 2daw s GLN 80 Ca 0.03 -0.55 -0.11 0.00 0.02 0.00 0.00 55.36 54.75 2daw s GLN 80 Cb -0.22 -4.47 -0.06 0.00 1.00 0.00 0.00 33.01 29.26 2daw s GLN 80 CO 0.04 -2.11 0.39 0.54 -2.12 0.00 0.00 175.29 172.03 2daw s VAL 81 N 5.29 5.09 -0.09 1.09 0.11 -0.60 -2.43 120.40 128.87 2daw s VAL 81 Ca 0.36 0.54 -0.02 0.00 -2.93 0.00 0.00 61.98 59.93 2daw s VAL 81 Cb -0.07 -3.65 0.03 0.00 -1.53 0.00 0.00 36.38 31.16 2daw s VAL 81 CO 0.08 0.37 0.02 -0.89 -3.33 0.00 0.00 175.10 171.35 2daw s THR 82 N -1.31 0.33 -0.46 5.04 2.01 -1.08 -2.82 115.64 117.35 2daw s THR 82 Ca 0.30 0.05 -0.05 0.00 0.31 0.00 0.00 61.69 62.30 2daw s THR 82 Cb -0.15 -0.56 0.12 0.00 0.01 0.00 0.00 72.50 71.92 2daw s THR 82 CO 0.16 0.17 0.28 -0.04 -0.69 0.00 0.00 174.62 174.50 2daw s MET 83 N 1.98 2.22 1.09 4.92 -1.94 -1.15 -3.45 119.30 122.97 2daw s MET 83 Ca 0.04 -1.91 -0.15 0.00 -1.71 0.00 0.00 55.69 51.96 2daw s MET 83 Cb -0.13 -3.70 0.23 0.00 2.01 0.00 0.00 34.83 33.24 2daw s MET 83 CO -0.06 -1.12 1.10 -1.25 -0.01 0.00 0.00 175.02 173.68 2daw s PRO 84 N 1.02 -0.31 0.00 2.03 0.04 -1.26 -3.43 135.00 133.10 2daw s PRO 84 Ca 0.09 0.27 0.13 0.00 0.04 0.00 0.00 61.00 61.53 2daw s PRO 84 Cb -0.23 -1.67 0.71 0.00 0.04 0.00 0.00 34.50 33.35 2daw s PRO 84 CO -0.03 -3.17 1.26 0.72 0.04 0.00 0.00 177.00 175.81 2daw n HIS 85 N -4.44 0.00 -0.05 0.56 8.25 -1.26 -3.37 115.22 114.91 2daw n HIS 85 Ca 0.08 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.50 2daw n HIS 85 Cb 0.58 -0.13 -0.02 0.00 1.12 0.00 0.00 29.99 31.54 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 -1.13 1.20 -3.20 0.41 7.64 -1.26 -4.57 113.62 112.70 2daw n SER 86 Ca 0.08 0.33 -0.30 0.00 1.01 0.00 0.00 58.87 59.99 2daw n SER 86 Cb 0.07 -0.69 0.01 0.00 -1.01 0.00 0.00 64.21 62.59 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 -3.75 -2.05 0.77 1.43 4.19 -1.22 -1.68 117.16 114.86 2daw n TYR 87 Ca -0.07 0.37 0.07 0.00 3.31 0.00 0.00 57.90 61.59 2daw n TYR 87 Cb 0.26 -1.28 0.40 0.00 0.49 0.00 0.00 39.34 39.20 2daw n TYR 87 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 2daw n PRO 88 N 1.10 0.28 -0.35 2.98 -0.04 -1.26 -4.57 135.00 133.14 2daw n PRO 88 Ca 0.07 0.11 0.04 0.00 -0.04 0.00 0.00 63.50 63.67 2daw n PRO 88 Cb 0.34 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.40 2daw n PRO 88 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2daw n TYR 89 N -1.22 0.24 -3.34 0.54 4.01 -0.67 -4.06 117.16 112.66 2daw n TYR 89 Ca 0.08 1.16 -0.10 0.00 -0.16 0.00 0.00 57.90 58.88 2daw n TYR 89 Cb 0.10 -0.99 0.01 0.00 -0.31 0.00 0.00 39.34 38.16 2daw n TYR 89 CO 0.00 0.00 0.00 1.47 -0.46 0.00 0.00 176.86 177.87 2daw n LEU 90 N -5.49 0.00 -4.35 7.72 -0.00 -1.26 -4.56 117.00 109.06 2daw n LEU 90 Ca 0.13 -1.15 -0.45 0.00 -0.00 0.00 0.00 56.01 54.54 2daw n LEU 90 Cb 0.44 -0.10 -0.05 0.00 -0.00 0.00 0.00 43.42 43.71 2daw n LEU 90 CO -0.12 -0.49 0.29 0.00 -0.00 0.00 0.00 177.39 177.07 2daw s ALA 91 N -2.32 3.51 1.02 1.47 0.00 -1.26 -4.52 121.76 119.66 2daw s ALA 91 Ca 0.20 -2.32 -0.21 0.00 0.00 0.00 0.00 51.96 49.62 2daw s ALA 91 Cb -0.02 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 2daw s ALA 91 CO 0.12 -2.19 -0.68 1.47 0.00 0.00 0.00 175.76 174.48 2daw n LEU 92 N 5.88 -2.53 -4.18 0.00 -0.00 -1.26 -4.97 117.00 109.95 2daw n LEU 92 Ca -0.11 -0.09 -0.34 0.00 -0.00 0.00 0.00 56.01 55.47 2daw n LEU 92 Cb 0.42 -0.70 -0.15 0.00 -0.00 0.00 0.00 43.42 42.98 2daw n LEU 92 CO 0.56 -2.76 -0.47 -1.58 -0.00 0.00 0.00 177.39 173.14 2daw s GLN 93 N -2.70 3.04 0.00 1.47 0.74 -1.22 -5.02 119.66 115.97 2daw s GLN 93 Ca 0.42 -0.82 0.07 0.00 0.05 0.00 0.00 55.36 55.08 2daw s GLN 93 Cb -0.00 -2.75 -0.03 0.00 1.10 0.00 0.00 33.01 31.33 2daw s GLN 93 CO 0.59 -0.24 -0.21 -0.51 -0.55 0.00 0.00 175.29 174.36 2daw s LEU 94 N 1.34 2.37 -0.17 3.68 1.43 -1.26 -2.65 118.68 123.41 2daw s LEU 94 Ca 0.04 -0.42 -0.04 0.00 -1.03 0.00 0.00 54.13 52.68 2daw s LEU 94 Cb -0.14 -1.42 0.08 0.00 0.03 0.00 0.00 46.19 44.74 2daw s LEU 94 CO -0.09 0.30 0.25 0.12 0.23 0.00 0.00 176.35 177.16 2daw s PHE 95 N -0.76 -0.38 -0.25 0.29 2.19 -1.02 -4.82 117.98 113.23 2daw s PHE 95 Ca 0.12 0.61 -0.07 0.00 0.33 0.00 0.00 56.93 57.92 2daw s PHE 95 Cb -0.10 -0.19 -0.02 0.00 -1.31 0.00 0.00 43.02 41.40 2daw s PHE 95 CO 0.02 -0.49 0.06 0.20 1.83 0.00 0.00 175.22 176.83 2daw s GLY 96 N 2.38 1.75 -0.04 13.12 0.00 -1.26 -1.16 107.32 122.12 2daw s GLY 96 Ca 0.05 -1.16 0.06 0.00 0.00 0.00 0.00 44.72 43.67 2daw s GLY 96 CO -0.11 0.54 -0.22 0.50 0.00 0.00 0.00 173.10 173.81 2daw s ARG 97 N 1.59 2.39 0.11 2.90 0.52 -1.01 -4.85 118.95 120.60 2daw s ARG 97 Ca 0.06 -0.85 -0.01 0.00 -0.52 0.00 0.00 55.73 54.40 2daw s ARG 97 Cb -0.15 -2.19 -0.04 0.00 0.52 0.00 0.00 34.95 33.09 2daw s ARG 97 CO 0.03 0.51 0.03 -1.12 0.02 0.00 0.00 175.30 174.77 2daw s SER 98 N -0.47 0.36 -0.07 0.23 0.01 -1.26 -3.38 113.70 109.12 2daw s SER 98 Ca 0.06 -1.13 -0.17 0.00 1.31 0.00 0.00 55.95 56.01 2daw s SER 98 Cb -0.11 0.27 -0.30 0.00 0.21 0.00 0.00 66.02 66.09 2daw s SER 98 CO 0.01 -0.69 0.70 0.77 0.41 0.00 0.00 173.24 174.44 2daw h SER 99 N 2.95 0.48 -0.20 2.44 4.64 -2.01 -3.34 113.55 118.52 2daw h SER 99 Ca -0.35 -0.90 -0.06 0.00 -0.47 0.00 0.00 61.79 60.01 2daw h SER 99 Cb 1.18 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.10 2daw h SER 99 CO 0.61 1.59 -0.07 -0.33 -0.87 0.00 0.00 176.83 177.76 2daw h GLU 100 N -0.23 0.53 -7.12 4.77 4.39 -1.97 -3.43 114.58 111.52 2daw h GLU 100 Ca -0.26 -0.14 -0.50 0.00 0.34 0.00 0.00 59.36 58.80 2daw h GLU 100 Cb 1.81 -0.07 0.08 0.00 -0.10 0.00 0.00 28.75 30.48 2daw h GLU 100 CO 0.12 0.61 0.42 -0.51 -1.16 0.00 0.00 179.01 178.49 2daw s LEU 101 N -8.96 3.65 0.22 1.33 1.43 -1.25 -5.05 118.68 110.04 2daw s LEU 101 Ca -0.07 2.14 0.09 0.00 -1.03 0.00 0.00 54.13 55.25 2daw s LEU 101 Cb 0.15 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.75 2daw s LEU 101 CO 0.77 -1.35 -0.01 -1.81 0.23 0.00 0.00 176.35 174.19 2daw s ASP 102 N -1.97 4.63 0.09 2.29 1.01 -1.26 -4.86 116.67 116.60 2daw s ASP 102 Ca 0.72 -0.53 -0.17 0.00 0.71 0.00 0.00 52.55 53.28 2daw s ASP 102 Cb -0.23 -0.91 -0.04 0.00 1.01 0.00 0.00 42.92 42.74 2daw s ASP 102 CO 0.31 0.04 1.14 -1.14 0.21 0.00 0.00 175.17 175.74 2daw n ARG 103 N -0.50 -0.24 -0.15 8.23 0.63 -1.26 -0.18 116.66 123.19 2daw n ARG 103 Ca -0.08 1.13 -0.12 0.00 -0.92 0.00 0.00 57.85 57.85 2daw n ARG 103 Cb 0.57 -1.67 -0.08 0.00 0.45 0.00 0.00 32.46 31.74 2daw n ARG 103 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2daw h HIS 104 N 0.00 -1.54 0.09 -0.14 2.76 -2.00 -1.48 115.15 112.84 2daw h HIS 104 Ca 0.09 0.08 0.01 0.00 -2.20 0.00 0.00 60.37 58.34 2daw h HIS 104 Cb 0.22 0.73 -0.02 0.00 1.55 0.00 0.00 27.41 29.89 2daw h HIS 104 CO -0.85 -0.47 -0.29 1.96 -1.30 0.00 0.00 177.93 176.98 2daw h GLN 105 N -0.35 -0.41 -0.84 5.26 1.08 -1.32 -2.30 115.11 116.23 2daw h GLN 105 Ca 0.11 0.03 0.16 0.00 -1.45 0.00 0.00 58.65 57.50 2daw h GLN 105 Cb 0.59 0.09 -0.15 0.00 -0.05 0.00 0.00 27.48 27.96 2daw h GLN 105 CO -0.61 -0.28 -0.23 1.04 -0.95 0.00 0.00 178.83 177.80 2daw n GLN 106 N -4.10 -0.10 -0.29 1.46 6.02 0.75 0.19 117.38 121.31 2daw n GLN 106 Ca -0.05 1.30 0.07 0.00 -0.01 0.00 0.00 57.00 58.31 2daw n GLN 106 Cb 0.23 -1.94 0.22 0.00 1.02 0.00 0.00 30.24 29.76 2daw n GLN 106 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2daw h LEU 107 N 0.00 0.47 0.06 1.08 3.38 -0.72 0.25 115.31 119.83 2daw h LEU 107 Ca 0.38 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.45 2daw h LEU 107 Cb 0.59 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2daw h LEU 107 CO -0.86 0.19 -0.03 -0.07 0.09 0.00 0.00 178.44 177.76 2daw h LEU 108 N 0.58 -0.07 0.37 1.67 3.38 0.23 -1.08 115.31 120.38 2daw h LEU 108 Ca 0.45 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 2daw h LEU 108 Cb 0.65 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 2daw h LEU 108 CO -0.37 0.22 -0.48 0.25 0.09 0.00 0.00 178.44 178.15 2daw h LEU 109 N -0.37 -1.36 0.23 1.67 5.85 -0.47 0.20 115.31 121.05 2daw h LEU 109 Ca -0.01 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 2daw h LEU 109 Cb 0.33 0.47 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 2daw h LEU 109 CO 0.01 -0.61 -0.25 0.78 -0.34 0.00 0.00 178.44 178.03 2daw h ASN 110 N -0.89 -0.71 -0.79 1.25 2.35 -1.03 0.17 115.58 115.93 2daw h ASN 110 Ca -0.04 0.06 0.16 0.00 -0.55 0.00 0.00 56.30 55.93 2daw h ASN 110 Cb 0.81 0.24 -0.15 0.00 0.05 0.00 0.00 38.32 39.27 2daw h ASN 110 CO -0.13 -0.33 -0.22 0.11 -1.65 0.00 0.00 177.43 175.22 2daw h LYS 111 N -0.49 -0.01 -0.67 0.81 1.57 -1.18 0.50 116.57 117.11 2daw h LYS 111 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2daw h LYS 111 Cb 0.43 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 2daw h LYS 111 CO -0.05 -0.01 0.43 0.78 -0.57 0.00 0.00 179.45 180.04 2daw h GLY 112 N -0.01 0.95 0.41 3.86 0.00 -0.33 -2.10 103.07 105.84 2daw h GLY 112 Ca 0.37 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2daw h GLY 112 CO -0.82 0.36 -0.19 -2.00 0.00 0.00 0.00 176.54 173.89 2daw h LEU 113 N 0.91 -0.46 -0.96 3.11 5.85 0.24 -1.66 115.31 122.33 2daw h LEU 113 Ca 0.24 0.02 0.15 0.00 0.84 0.00 0.00 57.88 59.13 2daw h LEU 113 Cb -0.08 0.12 -0.16 0.00 0.37 0.00 0.00 40.66 40.91 2daw h LEU 113 CO -0.05 -0.19 -0.39 0.71 -0.34 0.00 0.00 178.44 178.18 2daw h THR 114 N -0.83 0.01 -0.67 1.05 1.35 -0.20 0.48 112.91 114.11 2daw h THR 114 Ca -0.06 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 2daw h THR 114 Cb 0.42 0.01 -0.03 0.00 -1.73 0.00 0.00 68.15 66.82 2daw h THR 114 CO 0.09 0.00 0.43 0.28 -0.25 0.00 0.00 175.52 176.07 2daw h SER 115 N -0.01 0.79 -0.87 5.36 0.02 -1.46 -0.53 113.55 116.85 2daw h SER 115 Ca 0.34 -0.04 0.11 0.00 -0.84 0.00 0.00 61.79 61.36 2daw h SER 115 Cb 0.59 -0.20 -0.07 0.00 0.14 0.00 0.00 62.40 62.87 2daw h SER 115 CO -0.97 0.59 0.56 0.22 -1.14 0.00 0.00 176.83 176.10 2daw h TYR 116 N 0.91 0.88 0.00 3.45 3.20 0.89 -0.69 116.97 125.61 2daw h TYR 116 Ca 0.24 0.02 -0.20 0.00 3.14 0.00 0.00 58.73 61.93 2daw h TYR 116 Cb -0.07 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 37.89 2daw h TYR 116 CO -0.02 0.38 -0.97 0.82 -1.64 0.00 0.00 178.16 176.73 2daw h ILE 117 N 0.79 1.69 -0.09 1.81 1.08 -0.45 -3.24 117.51 119.10 2daw h ILE 117 Ca 0.42 -3.34 0.03 0.00 -0.39 0.00 0.00 64.86 61.57 2daw h ILE 117 Cb 0.52 2.81 -0.00 0.00 -3.07 0.00 0.00 36.82 37.08 2daw h ILE 117 CO -0.18 0.95 0.13 1.23 -0.69 0.00 0.00 178.15 179.59 2daw h GLY 118 N 2.96 0.00 0.63 5.37 0.00 0.48 -2.07 103.07 110.44 2daw h GLY 118 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 2daw h GLY 118 CO 0.13 0.00 -0.16 -0.91 0.00 0.00 0.00 176.54 175.60 2daw h THR 119 N 0.00 1.40 -1.93 4.70 1.35 -1.55 -3.46 112.91 113.42 2daw h THR 119 Ca 0.04 -1.45 -0.61 0.00 -0.55 0.00 0.00 66.41 63.85 2daw h THR 119 Cb 0.31 2.16 0.17 0.00 -1.73 0.00 0.00 68.15 69.06 2daw h THR 119 CO -0.00 0.41 -1.04 0.49 -0.25 0.00 0.00 175.52 175.13 2daw n PHE 120 N -4.59 -2.50 -3.40 4.73 3.01 -0.78 -4.95 117.46 108.98 2daw n PHE 120 Ca -0.08 0.52 -0.26 0.00 1.01 0.00 0.00 57.45 58.65 2daw n PHE 120 Cb 0.38 -1.73 -0.02 0.00 -0.01 0.00 0.00 39.48 38.10 2daw n PHE 120 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2daw s ASP 121 N -1.01 6.34 0.57 4.37 1.11 -1.26 -5.05 116.67 121.75 2daw s ASP 121 Ca 0.58 0.52 -0.18 0.00 0.18 0.00 0.00 52.55 53.65 2daw s ASP 121 Cb -0.55 -2.06 -0.04 0.00 1.07 0.00 0.00 42.92 41.34 2daw s ASP 121 CO 0.64 -0.24 1.12 -2.16 1.18 0.00 0.00 175.17 175.72 2daw s PRO 122 N -3.99 3.22 0.00 8.23 0.04 -1.26 -3.83 135.00 137.41 2daw s PRO 122 Ca 0.41 1.55 0.00 0.00 0.04 0.00 0.00 61.00 63.00 2daw s PRO 122 Cb -0.10 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2daw s PRO 122 CO 0.34 -0.95 0.00 0.41 0.04 0.00 0.00 177.00 176.84 2daw n GLY 123 N -0.02 3.10 3.99 0.56 0.00 -1.26 -4.92 105.19 106.64 2daw n GLY 123 Ca 0.11 -0.94 -0.19 0.00 0.00 0.00 0.00 46.02 45.00 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 2.85 0.36 1.61 -1.05 -1.25 -4.83 118.70 116.39 2daw s GLU 124 Ca 0.00 -0.99 -0.20 0.00 -0.15 0.00 0.00 54.97 53.63 2daw s GLU 124 Cb 0.00 -2.68 -0.10 0.00 -0.44 0.00 0.00 34.13 30.91 2daw s GLU 124 CO 0.00 -0.30 0.87 -0.51 0.95 0.00 0.00 175.26 176.26 2daw s LEU 125 N -4.43 4.08 0.00 1.83 1.43 -1.26 -4.62 118.68 115.70 2daw s LEU 125 Ca 0.53 1.57 0.00 0.00 -1.03 0.00 0.00 54.13 55.20 2daw s LEU 125 Cb -0.10 -4.24 0.00 0.00 0.03 0.00 0.00 46.19 41.88 2daw s LEU 125 CO 0.34 -0.23 0.00 0.00 0.23 0.00 0.00 176.35 176.69 2daw h VAL 127 N 0.00 0.40 -0.74 0.00 3.04 -2.00 0.48 116.25 117.44 2daw h VAL 127 Ca 0.00 -0.01 -0.06 0.00 -1.01 0.00 0.00 66.70 65.62 2daw h VAL 127 Cb 0.89 0.37 -0.03 0.00 -2.01 0.00 0.00 31.29 30.51 2daw h VAL 127 CO 0.00 0.01 0.24 0.00 -1.01 0.00 0.00 177.57 176.80 2daw h ALA 129 N 1.15 0.08 -0.80 0.00 0.00 -0.37 -3.32 119.26 116.00 2daw h ALA 129 Ca 0.24 -0.52 0.15 0.00 0.00 0.00 0.00 54.91 54.78 2daw h ALA 129 Cb 0.30 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 17.96 2daw h ALA 129 CO -0.01 0.26 -0.29 0.00 0.00 0.00 0.00 179.25 179.21 2daw h ALA 130 N 0.33 0.28 -0.55 0.00 0.00 -1.26 0.45 119.26 118.51 2daw h ALA 130 Ca -0.05 0.27 0.06 0.00 0.00 0.00 0.00 54.91 55.18 2daw h ALA 130 Cb 1.17 0.76 -0.08 0.00 0.00 0.00 0.00 17.79 19.64 2daw h ALA 130 CO 0.09 -0.53 -0.47 0.82 0.00 0.00 0.00 179.25 179.16 2daw h ILE 131 N -0.05 0.00 -0.45 0.00 2.04 -1.62 0.32 117.51 117.75 2daw h ILE 131 Ca 0.34 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.22 2daw h ILE 131 Cb 0.59 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 2daw h ILE 131 CO -0.83 0.00 0.27 -0.61 0.00 0.00 0.00 178.15 176.97 2daw h GLN 132 N -0.18 0.52 -0.92 2.37 5.75 -1.39 -2.17 115.11 119.09 2daw h GLN 132 Ca 0.09 -0.03 0.15 0.00 -0.15 0.00 0.00 58.65 58.71 2daw h GLN 132 Cb 0.42 -0.12 -0.10 0.00 1.07 0.00 0.00 27.48 28.76 2daw h GLN 132 CO -0.61 0.35 0.53 2.35 -2.65 0.00 0.00 178.83 178.79 2daw h TRP 133 N 0.54 0.93 0.55 3.99 7.01 0.57 -2.43 115.95 127.10 2daw h TRP 133 Ca 0.18 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.18 2daw h TRP 133 Cb 0.00 -0.27 0.01 0.00 -2.10 0.00 0.00 29.16 26.80 2daw h TRP 133 CO -0.07 0.25 -0.26 -0.07 -2.79 0.00 0.00 178.44 175.50 2daw h LEU 134 N 0.74 -0.62 -0.83 0.65 3.38 0.15 0.48 115.31 119.26 2daw h LEU 134 Ca 0.50 0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.67 2daw h LEU 134 Cb 0.69 0.16 -0.16 0.00 0.09 0.00 0.00 40.66 41.44 2daw h LEU 134 CO -0.35 -0.34 -0.17 0.00 0.09 0.00 0.00 178.44 177.68 2daw n GLN 135 N -4.57 -0.07 0.13 1.13 6.02 -0.87 -0.51 117.38 118.63 2daw n GLN 135 Ca -0.09 1.28 -0.11 0.00 -0.01 0.00 0.00 57.00 58.07 2daw n GLN 135 Cb 0.29 -1.93 -0.07 0.00 1.02 0.00 0.00 30.24 29.55 2daw n GLN 135 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 2daw h ASP 136 N 0.00 -0.33 -0.16 1.08 3.32 -1.45 -3.26 116.42 115.62 2daw h ASP 136 Ca 0.42 -0.20 -0.20 0.00 0.02 0.00 0.00 57.03 57.07 2daw h ASP 136 Cb 0.68 0.08 -0.07 0.00 0.22 0.00 0.00 39.33 40.24 2daw h ASP 136 CO -0.84 0.14 -0.17 0.59 -1.72 0.00 0.00 179.24 177.23 2daw n ASN 137 N -5.06 5.48 0.10 6.45 3.02 0.33 -3.91 115.26 121.67 2daw n ASN 137 Ca -0.08 -2.59 0.00 0.00 -0.03 0.00 0.00 54.58 51.88 2daw n ASN 137 Cb 0.26 -1.32 0.00 0.00 -0.61 0.00 0.00 39.78 38.11 2daw n ASN 137 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2daw n SER 138 N 1.99 0.40 -0.27 6.41 7.64 -0.10 -4.68 113.62 125.02 2daw n SER 138 Ca 0.35 0.32 0.05 0.00 1.01 0.00 0.00 58.87 60.60 2daw n SER 138 Cb 0.77 0.07 0.14 0.00 -1.01 0.00 0.00 64.21 64.19 2daw n SER 138 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2daw h ALA 139 N 0.00 0.71 -0.43 -0.43 0.00 -1.68 0.15 119.26 117.57 2daw h ALA 139 Ca 0.00 0.28 0.01 0.00 0.00 0.00 0.00 54.91 55.19 2daw h ALA 139 Cb 0.00 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2daw h ALA 139 CO 0.00 -0.43 0.28 0.77 0.00 0.00 0.00 179.25 179.87 2daw h SER 140 N 0.05 0.49 -0.88 0.00 0.02 -1.89 -2.28 113.55 109.06 2daw h SER 140 Ca 0.42 -0.01 0.16 0.00 -0.84 0.00 0.00 61.79 61.51 2daw h SER 140 Cb 0.71 -0.12 -0.10 0.00 0.14 0.00 0.00 62.40 63.03 2daw h SER 140 CO -0.75 0.35 0.46 1.88 -1.14 0.00 0.00 176.83 177.63 2daw h TYR 141 N 0.58 0.80 0.56 3.45 -1.99 -1.01 -2.44 116.97 116.92 2daw h TYR 141 Ca 0.16 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.90 2daw h TYR 141 Cb -0.06 -0.22 0.01 0.00 2.00 0.00 0.00 36.73 38.45 2daw h TYR 141 CO -0.05 0.17 -0.27 0.74 -0.00 0.00 0.00 178.16 178.75 2daw h PHE 142 N 0.63 -0.69 -0.30 4.88 -1.00 -0.90 -3.42 116.94 116.14 2daw h PHE 142 Ca 0.49 -0.02 -0.52 0.00 2.81 0.00 0.00 57.97 60.73 2daw h PHE 142 Cb 0.72 0.23 -0.07 0.00 3.61 0.00 0.00 35.95 40.44 2daw h PHE 142 CO -0.08 -0.36 1.70 1.28 -1.61 0.00 0.00 178.31 179.23 2daw n LEU 143 N -5.32 0.72 -3.91 1.54 4.77 -0.90 -4.86 117.00 109.04 2daw n LEU 143 Ca -0.11 0.10 -0.10 0.00 -0.03 0.00 0.00 56.01 55.87 2daw n LEU 143 Cb 0.33 -1.04 -0.09 0.00 -2.33 0.00 0.00 43.42 40.29 2daw n LEU 143 CO 0.31 -0.87 -0.19 0.21 -1.33 0.00 0.00 177.39 175.53 2daw s ASN 144 N 9.29 0.13 -0.04 -1.43 2.47 -1.26 -4.97 114.94 119.13 2daw s ASN 144 Ca 1.28 -0.47 -0.13 0.00 0.42 0.00 0.00 52.86 53.96 2daw s ASN 144 Cb -1.08 0.23 -0.05 0.00 -1.45 0.00 0.00 41.25 38.90 2daw s ASN 144 CO 0.46 -0.50 0.35 -0.13 -3.72 0.00 0.00 177.10 173.57 2daw s ARG 145 N -2.45 3.89 0.05 0.43 3.00 -1.26 -5.09 118.95 117.51 2daw s ARG 145 Ca -0.06 0.29 0.05 0.00 0.00 0.00 0.00 55.73 56.00 2daw s ARG 145 Cb -0.02 -3.25 -0.02 0.00 0.00 0.00 0.00 34.95 31.66 2daw s ARG 145 CO -0.04 0.63 -0.13 -1.59 0.00 0.00 0.00 175.30 174.17 2daw s LYS 146 N -0.82 0.84 0.02 3.54 0.00 -1.26 -5.15 119.74 116.90 2daw s LYS 146 Ca 0.22 -0.79 0.06 0.00 0.00 0.00 0.00 55.97 55.46 2daw s LYS 146 Cb -0.15 -0.82 -0.02 0.00 0.00 0.00 0.00 37.83 36.83 2daw s LYS 146 CO 0.11 0.20 -0.18 -1.17 0.00 0.00 0.00 175.35 174.30 2daw s LEU 147 N -1.31 2.11 -0.00 2.77 2.96 -1.26 -5.15 118.68 118.81 2daw s LEU 147 Ca -0.01 -0.43 -0.05 0.00 -0.22 0.00 0.00 54.13 53.43 2daw s LEU 147 Cb -0.08 -0.88 -0.00 0.00 0.50 0.00 0.00 46.19 45.72 2daw s LEU 147 CO 0.01 0.16 0.09 0.54 -1.32 0.00 0.00 176.35 175.83 2daw s VAL 148 N -0.65 0.07 0.23 1.68 0.11 -1.26 -5.17 120.40 115.41 2daw s VAL 148 Ca 0.06 -0.61 0.01 0.00 -2.93 0.00 0.00 61.98 58.51 2daw s VAL 148 Cb -0.08 -0.33 -0.05 0.00 -1.53 0.00 0.00 36.38 34.39 2daw s VAL 148 CO 0.01 -0.33 0.09 -0.94 -3.33 0.00 0.00 175.10 170.59 2daw s SER 149 N -1.11 1.01 0.00 3.54 1.04 -1.26 -5.12 113.70 111.79 2daw s SER 149 Ca -0.12 -1.35 0.00 0.00 0.48 0.00 0.00 55.95 54.96 2daw s SER 149 Cb -0.07 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.24 2daw s SER 149 CO 0.01 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.11 2daw n GLY 150 N -0.39 -1.66 3.71 7.32 0.00 -1.26 -5.17 105.19 107.73 2daw n GLY 150 Ca -0.01 0.87 -0.29 0.00 0.00 0.00 0.00 46.02 46.59 2daw n GLY 150 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2daw s PRO 151 N 0.00 1.07 0.15 1.61 0.04 -1.26 -5.07 135.00 131.54 2daw s PRO 151 Ca 0.00 0.76 -0.23 0.00 0.04 0.00 0.00 61.00 61.56 2daw s PRO 151 Cb 0.00 -1.79 0.08 0.00 0.04 0.00 0.00 34.50 32.83 2daw s PRO 151 CO 0.00 -2.35 1.09 -1.12 0.04 0.00 0.00 177.00 174.66 2daw s SER 152 N -3.43 0.01 0.16 6.66 0.01 -1.26 -5.17 113.70 110.68 2daw s SER 152 Ca 0.64 -0.59 0.04 0.00 1.31 0.00 0.00 55.95 57.34 2daw s SER 152 Cb -0.18 0.43 -0.04 0.00 0.21 0.00 0.00 66.02 66.44 2daw s SER 152 CO 0.57 -0.86 0.21 -0.55 0.41 0.00 0.00 173.24 173.02 2daw s SER 153 N -3.51 5.89 0.00 2.44 0.15 -1.26 -5.38 113.70 112.03 2daw s SER 153 Ca 0.24 0.00 0.21 0.00 0.70 0.00 0.00 55.95 57.11 2daw s SER 153 Cb -0.02 -1.65 1.27 0.00 -1.71 0.00 0.00 66.02 63.91 2daw s SER 153 CO 0.04 0.06 1.65 0.61 1.20 0.00 0.00 173.24 176.80