#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 6.28 0.27 1.61 0.15 -1.26 -4.94 113.70 115.82 2daw s SER 2 Ca 0.00 0.55 -0.21 0.00 0.70 0.00 0.00 55.95 56.99 2daw s SER 2 Cb 0.00 -2.54 0.04 0.00 -1.71 0.00 0.00 66.02 61.80 2daw s SER 2 CO 0.00 -1.53 0.79 -0.94 1.20 0.00 0.00 173.24 172.76 2daw s SER 3 N 3.96 -0.18 0.00 5.45 1.04 -1.26 -5.18 113.70 117.52 2daw s SER 3 Ca 0.56 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 56.32 2daw s SER 3 Cb -0.11 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.70 2daw s SER 3 CO 0.29 -1.31 0.00 0.61 0.98 0.00 0.00 173.24 173.81 2daw n GLY 4 N -0.49 0.06 3.26 7.32 0.00 -1.26 -5.05 105.19 109.03 2daw n GLY 4 Ca -0.05 -1.63 -0.44 0.00 0.00 0.00 0.00 46.02 43.90 2daw n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2daw s SER 5 N 0.00 6.19 -0.23 1.61 0.01 -1.26 -5.02 113.70 115.00 2daw s SER 5 Ca 0.00 -2.46 0.01 0.00 1.31 0.00 0.00 55.95 54.81 2daw s SER 5 Cb 0.00 -2.10 0.05 0.00 0.21 0.00 0.00 66.02 64.18 2daw s SER 5 CO 0.00 -0.60 -0.08 -0.44 0.41 0.00 0.00 173.24 172.53 2daw s SER 6 N 2.17 3.85 0.00 2.44 0.01 -1.26 -4.76 113.70 116.15 2daw s SER 6 Ca 0.13 -1.14 0.00 0.00 1.31 0.00 0.00 55.95 56.25 2daw s SER 6 Cb -0.18 -1.28 0.00 0.00 0.21 0.00 0.00 66.02 64.77 2daw s SER 6 CO -0.05 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.02 2daw n GLY 7 N 4.62 0.60 3.57 3.44 0.00 -1.26 -5.08 105.19 111.09 2daw n GLY 7 Ca -0.13 -0.49 -0.00 0.00 0.00 0.00 0.00 46.02 45.40 2daw n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2daw s MET 8 N -3.81 0.27 -0.01 1.61 0.00 -1.26 -5.08 119.30 111.01 2daw s MET 8 Ca 0.00 0.52 -0.10 0.00 0.00 0.00 0.00 55.69 56.11 2daw s MET 8 Cb 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 34.83 34.90 2daw s MET 8 CO 0.00 -0.06 0.61 0.77 0.00 0.00 0.00 175.02 176.34 2daw h SER 9 N 6.19 -0.30 -1.38 -1.18 0.02 -1.97 -3.48 113.55 111.45 2daw h SER 9 Ca -0.25 0.01 -0.59 0.00 -0.84 0.00 0.00 61.79 60.13 2daw h SER 9 Cb 1.17 0.08 -0.09 0.00 0.14 0.00 0.00 62.40 63.69 2daw h SER 9 CO 0.18 -0.07 -0.50 0.00 -1.14 0.00 0.00 176.83 175.30 2daw s ALA 10 N -3.64 3.66 -0.19 3.77 0.00 -1.26 -5.13 121.76 118.97 2daw s ALA 10 Ca -0.05 -1.88 -0.08 0.00 0.00 0.00 0.00 51.96 49.95 2daw s ALA 10 Cb 0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 2daw s ALA 10 CO 0.16 -0.17 0.07 -1.12 0.00 0.00 0.00 175.76 174.69 2daw s SER 11 N -3.91 5.67 0.39 0.00 0.01 -1.26 -4.97 113.70 109.64 2daw s SER 11 Ca 0.36 0.09 0.27 0.00 1.31 0.00 0.00 55.95 57.98 2daw s SER 11 Cb 0.04 -1.98 1.36 0.00 0.21 0.00 0.00 66.02 65.66 2daw s SER 11 CO 0.20 0.17 1.47 0.52 0.41 0.00 0.00 173.24 176.01 2daw n VAL 12 N 3.59 -0.29 -0.00 3.43 0.31 -1.26 -1.21 118.33 122.90 2daw n VAL 12 Ca -0.16 1.76 -0.00 0.00 -0.01 0.00 0.00 64.34 65.92 2daw n VAL 12 Cb 0.52 -2.88 -0.00 0.00 -0.91 0.00 0.00 33.84 30.57 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 -0.00 -0.75 5.55 1.57 -1.93 0.18 116.57 121.19 2daw h LYS 13 Ca 0.82 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 59.76 2daw h LYS 13 Cb 2.50 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 34.68 2daw h LYS 13 CO -0.53 -0.00 -0.06 0.93 -0.57 0.00 0.00 179.45 179.23 2daw h GLU 14 N -0.00 0.06 0.00 3.15 5.08 -1.58 -2.12 114.58 119.17 2daw h GLU 14 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2daw h GLU 14 Cb 0.00 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 2daw h GLU 14 CO -0.00 0.04 -0.01 0.77 -1.00 0.00 0.00 179.01 178.80 2daw h SER 15 N 0.06 -0.04 -0.98 1.42 0.02 -1.26 -2.20 113.55 110.58 2daw h SER 15 Ca 0.39 0.00 0.26 0.00 -0.84 0.00 0.00 61.79 61.61 2daw h SER 15 Cb 0.67 0.02 -0.18 0.00 0.14 0.00 0.00 62.40 63.05 2daw h SER 15 CO -0.70 -0.01 0.00 0.18 -1.14 0.00 0.00 176.83 175.16 2daw n LEU 16 N -2.55 -0.13 -0.18 5.07 4.77 -0.02 0.14 117.00 124.11 2daw n LEU 16 Ca -0.00 1.66 -0.05 0.00 -0.03 0.00 0.00 56.01 57.58 2daw n LEU 16 Cb 0.01 -0.60 0.01 0.00 -2.33 0.00 0.00 43.42 40.51 2daw n LEU 16 CO 0.00 -1.68 0.64 -0.61 -1.33 0.00 0.00 177.39 174.42 2daw h GLN 17 N 0.00 -0.16 -0.20 3.23 -0.00 -0.77 0.56 115.11 117.77 2daw h GLN 17 Ca 0.58 0.01 0.06 0.00 -0.00 0.00 0.00 58.65 59.30 2daw h GLN 17 Cb 1.19 0.04 -0.01 0.00 0.00 0.00 0.00 27.48 28.70 2daw h GLN 17 CO -0.92 -0.11 0.15 -0.07 0.00 0.00 0.00 178.83 177.88 2daw h LEU 18 N -0.17 0.00 -0.36 -2.39 -0.00 -0.00 0.25 115.31 112.63 2daw h LEU 18 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.11 2daw h LEU 18 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 2daw h LEU 18 CO -0.65 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 177.79 2daw n GLN 19 N -4.37 0.24 -0.10 1.13 6.02 0.19 -2.21 117.38 118.28 2daw n GLN 19 Ca 0.02 0.33 -0.19 0.00 -0.01 0.00 0.00 57.00 57.14 2daw n GLN 19 Cb 0.29 -1.85 -0.09 0.00 1.02 0.00 0.00 30.24 29.61 2daw n GLN 19 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2daw n LEU 20 N -2.29 1.87 0.19 1.08 4.77 0.79 -3.71 117.00 119.70 2daw n LEU 20 Ca 0.04 0.45 0.06 0.00 -0.03 0.00 0.00 56.01 56.53 2daw n LEU 20 Cb 0.34 -0.91 0.55 0.00 -2.33 0.00 0.00 43.42 41.06 2daw n LEU 20 CO 0.25 0.14 1.04 0.17 -1.33 0.00 0.00 177.39 177.66 2daw h LEU 21 N -1.00 0.11 -0.92 2.23 8.10 -1.44 -1.24 115.31 121.16 2daw h LEU 21 Ca -0.32 -0.01 -0.11 0.00 0.11 0.00 0.00 57.88 57.56 2daw h LEU 21 Cb 1.17 -0.03 -0.02 0.00 -0.44 0.00 0.00 40.66 41.35 2daw h LEU 21 CO -0.19 0.14 -0.51 1.05 -4.11 0.00 0.00 178.44 174.81 2daw h GLU 22 N 0.13 0.00 -0.28 0.17 -0.00 -1.63 -2.98 114.58 110.00 2daw h GLU 22 Ca 0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 59.36 59.30 2daw h GLU 22 Cb 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.83 2daw h GLU 22 CO 0.00 0.51 -0.20 0.52 -0.00 0.00 0.00 179.01 179.84 2daw h MET 23 N 0.00 0.63 0.00 1.06 2.86 -1.31 -2.17 114.93 116.00 2daw h MET 23 Ca -0.01 -0.30 -0.03 0.00 -2.06 0.00 0.00 59.70 57.30 2daw h MET 23 Cb 0.95 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.61 2daw h MET 23 CO 0.07 0.90 -0.16 1.05 1.06 0.00 0.00 176.91 179.82 2daw h GLU 24 N 0.36 0.00 0.00 1.72 4.11 -1.45 -1.82 114.58 117.49 2daw h GLU 24 Ca 0.05 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.31 2daw h GLU 24 Cb 0.75 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 2daw h GLU 24 CO 0.05 0.16 -0.84 0.52 0.07 0.00 0.00 179.01 178.98 2daw h MET 25 N 0.00 0.00 -0.01 1.06 2.86 -1.36 -3.27 114.93 114.21 2daw h MET 25 Ca -0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2daw h MET 25 Cb 0.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 2daw h MET 25 CO 0.02 0.84 -0.16 -0.07 1.06 0.00 0.00 176.91 178.60 2daw h LEU 26 N 0.00 0.16 -0.35 1.22 3.38 -0.72 -3.18 115.31 115.82 2daw h LEU 26 Ca -0.01 -0.73 0.07 0.00 0.09 0.00 0.00 57.88 57.31 2daw h LEU 26 Cb 1.63 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 42.24 2daw h LEU 26 CO 0.11 0.86 -0.34 -0.26 0.09 0.00 0.00 178.44 178.90 2daw h PHE 27 N -0.53 -0.97 -0.97 1.13 0.04 -1.47 0.11 116.94 114.29 2daw h PHE 27 Ca -0.02 0.06 0.17 0.00 2.80 0.00 0.00 57.97 60.98 2daw h PHE 27 Cb 0.88 0.48 -0.09 0.00 2.20 0.00 0.00 35.95 39.41 2daw h PHE 27 CO 0.17 -0.40 0.61 1.03 -0.60 0.00 0.00 178.31 179.12 2daw h SER 28 N -0.29 0.71 0.08 2.17 0.87 -1.67 0.16 113.55 115.58 2daw h SER 28 Ca 0.15 0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 60.68 2daw h SER 28 Cb 0.55 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2daw h SER 28 CO -0.51 0.30 -0.35 0.24 -0.53 0.00 0.00 176.83 175.98 2daw h MET 29 N 0.72 0.37 -3.15 2.24 2.86 -0.85 -3.34 114.93 113.78 2daw h MET 29 Ca 0.52 -0.16 -0.64 0.00 -2.06 0.00 0.00 59.70 57.36 2daw h MET 29 Cb 0.86 -0.01 -0.40 0.00 0.06 0.00 0.00 31.60 32.11 2daw h MET 29 CO -0.29 0.67 -0.46 -0.06 1.06 0.00 0.00 176.91 177.83 2daw s PHE 30 N -4.30 3.64 0.22 -0.22 0.08 0.53 -4.91 117.98 113.03 2daw s PHE 30 Ca -0.06 -3.27 -0.01 0.00 0.12 0.00 0.00 56.93 53.72 2daw s PHE 30 Cb 0.13 -2.84 0.22 0.00 -0.57 0.00 0.00 43.02 39.96 2daw s PHE 30 CO 0.78 -0.60 1.58 -1.00 -0.10 0.00 0.00 175.22 175.89 2daw h PRO 31 N 5.57 0.53 -5.59 0.24 0.13 -1.67 -3.42 132.00 127.80 2daw h PRO 31 Ca 0.14 -0.28 -0.29 0.00 -0.87 0.00 0.00 66.00 64.70 2daw h PRO 31 Cb 0.77 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 2daw h PRO 31 CO 0.75 0.86 0.91 -0.80 -0.23 0.00 0.00 178.00 179.50 2daw s ASN 32 N -6.87 4.46 0.66 1.44 -0.87 -1.26 -4.91 114.94 107.59 2daw s ASN 32 Ca -0.07 0.37 -0.17 0.00 -1.57 0.00 0.00 52.86 51.42 2daw s ASN 32 Cb 0.12 -2.53 -0.12 0.00 -0.02 0.00 0.00 41.25 38.70 2daw s ASN 32 CO 0.82 -3.14 -0.09 1.67 -2.57 0.00 0.00 177.10 173.79 2daw n GLN 33 N 8.95 0.10 0.00 -0.60 -0.06 -1.26 -2.89 117.38 121.62 2daw n GLN 33 Ca 0.38 0.04 0.00 0.00 -2.00 0.00 0.00 57.00 55.42 2daw n GLN 33 Cb 0.49 -1.22 0.00 0.00 -4.06 0.00 0.00 30.24 25.46 2daw n GLN 33 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2daw n GLY 34 N 2.49 3.07 0.08 1.69 0.00 -1.26 -4.91 105.19 106.34 2daw n GLY 34 Ca 0.07 -0.87 -0.02 0.00 0.00 0.00 0.00 46.02 45.19 2daw n GLY 34 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2daw h GLU 35 N 0.00 -0.08 -6.48 1.61 3.07 -1.86 -3.35 114.58 107.49 2daw h GLU 35 Ca 0.00 0.01 -0.56 0.00 -0.50 0.00 0.00 59.36 58.30 2daw h GLU 35 Cb 0.00 0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 27.85 2daw h GLU 35 CO 0.00 -0.05 0.91 0.08 -1.40 0.00 0.00 179.01 178.55 2daw s VAL 36 N -3.45 4.10 -0.51 3.13 1.01 -1.24 -3.59 120.40 119.83 2daw s VAL 36 Ca -0.03 0.84 -0.18 0.00 0.00 0.00 0.00 61.98 62.62 2daw s VAL 36 Cb 0.01 -4.68 0.07 0.00 0.00 0.00 0.00 36.38 31.78 2daw s VAL 36 CO 0.10 -1.27 0.59 -0.54 0.00 0.00 0.00 175.10 173.99 2daw s LYS 37 N 4.74 3.09 -0.24 2.72 1.02 -0.71 -4.90 119.74 125.46 2daw s LYS 37 Ca 0.42 -1.03 -0.17 0.00 0.02 0.00 0.00 55.97 55.21 2daw s LYS 37 Cb -0.08 -4.13 -0.03 0.00 -0.52 0.00 0.00 37.83 33.07 2daw s LYS 37 CO 0.25 -1.23 0.44 -0.51 -0.92 0.00 0.00 175.35 173.39 2daw s LEU 38 N 2.45 4.09 0.37 3.17 1.43 -1.26 -2.75 118.68 126.19 2daw s LEU 38 Ca 0.13 0.48 0.13 0.00 -1.03 0.00 0.00 54.13 53.83 2daw s LEU 38 Cb -0.21 -2.56 0.93 0.00 0.03 0.00 0.00 46.19 44.38 2daw s LEU 38 CO 0.10 -0.19 1.83 -0.33 0.23 0.00 0.00 176.35 178.00 2daw h GLU 39 N 7.80 0.55 -2.73 1.70 5.08 -1.97 -3.40 114.58 121.61 2daw h GLU 39 Ca -0.32 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 57.86 2daw h GLU 39 Cb 1.15 -0.12 -0.28 0.00 0.50 0.00 0.00 28.75 30.00 2daw h GLU 39 CO 0.70 0.36 -0.38 -0.51 -1.00 0.00 0.00 179.01 178.19 2daw s ASP 40 N -5.60 -0.32 0.19 1.42 1.11 -1.26 -5.01 116.67 107.20 2daw s ASP 40 Ca -0.09 0.80 0.21 0.00 0.18 0.00 0.00 52.55 53.65 2daw s ASP 40 Cb 0.23 0.79 0.89 0.00 1.07 0.00 0.00 42.92 45.90 2daw s ASP 40 CO 0.79 -0.20 1.66 1.33 1.18 0.00 0.00 175.17 179.93 2daw n VAL 41 N 4.58 0.85 1.33 -1.27 0.24 -1.26 -1.87 118.33 120.93 2daw n VAL 41 Ca -0.19 0.21 0.12 0.00 -2.04 0.00 0.00 64.34 62.45 2daw n VAL 41 Cb 0.53 -1.09 0.44 0.00 -1.47 0.00 0.00 33.84 32.24 2daw n VAL 41 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2daw n ASN 42 N -2.05 1.67 -0.22 -1.34 3.02 -1.26 -4.11 115.26 110.96 2daw n ASN 42 Ca 0.03 -1.62 -0.07 0.00 -0.03 0.00 0.00 54.58 52.88 2daw n ASN 42 Cb 0.22 -0.05 0.03 0.00 -0.61 0.00 0.00 39.78 39.37 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 4.24 0.81 -0.12 5.41 0.00 -1.71 -0.45 119.26 127.44 2daw h ALA 43 Ca 0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 2daw h ALA 43 Cb 0.52 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2daw h ALA 43 CO 0.00 0.43 -0.25 -0.07 0.00 0.00 0.00 179.25 179.35 2daw h LEU 44 N 0.88 0.44 0.50 0.00 3.38 -1.80 -3.21 115.31 115.49 2daw h LEU 44 Ca 0.21 -0.56 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 2daw h LEU 44 Cb 0.20 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2daw h LEU 44 CO -0.02 0.92 -0.24 0.74 0.09 0.00 0.00 178.44 179.93 2daw h THR 45 N -0.02 0.00 -0.76 0.22 2.02 -1.75 -2.77 112.91 109.85 2daw h THR 45 Ca 0.00 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.41 2daw h THR 45 Cb 0.85 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.11 2daw h THR 45 CO 0.06 0.00 0.09 0.59 0.37 0.00 0.00 175.52 176.63 2daw n ASN 46 N -3.82 -0.02 0.36 4.18 3.02 -0.19 0.48 115.26 119.26 2daw n ASN 46 Ca -0.08 1.29 -0.18 0.00 -0.03 0.00 0.00 54.58 55.58 2daw n ASN 46 Cb 0.27 -0.50 -0.09 0.00 -0.61 0.00 0.00 39.78 38.85 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 0.18 -1.46 2.41 2.04 -1.52 -2.17 117.51 117.00 2daw h ILE 47 Ca 0.50 0.00 0.48 0.00 1.00 0.00 0.00 64.86 66.84 2daw h ILE 47 Cb 1.09 0.18 -0.12 0.00 -0.74 0.00 0.00 36.82 37.23 2daw h ILE 47 CO -0.69 0.00 0.97 0.29 0.00 0.00 0.00 178.15 178.71 2daw n LYS 48 N -5.54 -0.03 -0.04 2.37 4.01 0.18 0.17 118.16 119.28 2daw n LYS 48 Ca -0.13 1.16 -0.15 0.00 -0.51 0.00 0.00 58.31 58.68 2daw n LYS 48 Cb 0.43 -2.37 -0.09 0.00 -0.51 0.00 0.00 35.03 32.49 2daw n LYS 48 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2daw h ARG 49 N 0.00 0.42 -0.27 1.97 3.08 -1.19 -3.16 114.38 115.22 2daw h ARG 49 Ca 0.86 -0.32 0.03 0.00 0.07 0.00 0.00 59.98 60.62 2daw h ARG 49 Cb 2.93 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 33.02 2daw h ARG 49 CO -0.34 0.95 0.18 -0.92 -1.07 0.00 0.00 179.97 178.77 2daw h TYR 50 N -0.02 0.23 -0.26 3.04 5.03 0.20 -0.92 116.97 124.26 2daw h TYR 50 Ca -0.02 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.25 2daw h TYR 50 Cb 1.00 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 39.19 2daw h TYR 50 CO 0.12 0.13 -0.06 -0.07 -1.32 0.00 0.00 178.16 176.96 2daw h LEU 51 N 0.24 0.38 -0.57 2.82 3.38 -1.25 -2.29 115.31 118.03 2daw h LEU 51 Ca 0.11 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 2daw h LEU 51 Cb 0.16 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2daw h LEU 51 CO -0.02 0.50 -0.65 -0.08 0.09 0.00 0.00 178.44 178.27 2daw h GLU 52 N 0.39 0.00 0.00 1.13 4.57 -1.20 -3.48 114.58 115.99 2daw h GLU 52 Ca 0.08 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 2daw h GLU 52 Cb 0.36 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 2daw h GLU 52 CO 0.02 0.65 0.00 0.41 -1.18 0.00 0.00 179.01 178.91 2daw n GLY 53 N 0.57 1.93 0.90 1.92 0.00 -0.86 -5.01 105.19 104.63 2daw n GLY 53 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.81 2.34 -3.68 2.61 5.66 -1.20 -4.94 114.28 114.26 2daw n THR 54 Ca 0.00 -2.18 -0.16 0.00 -3.05 0.00 0.00 64.05 58.66 2daw n THR 54 Cb 0.00 -0.28 -0.15 0.00 -1.55 0.00 0.00 70.33 68.35 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 -2.96 0.05 -0.06 1.09 3.52 -1.26 -4.90 118.95 114.42 2daw s ARG 55 Ca 0.42 0.53 0.08 0.00 -0.13 0.00 0.00 55.73 56.63 2daw s ARG 55 Cb 0.36 -0.25 -0.24 0.00 -1.56 0.00 0.00 34.95 33.26 2daw s ARG 55 CO 0.06 -0.28 0.61 0.93 -0.81 0.00 0.00 175.30 175.81 2daw h GLU 56 N 8.14 0.07 -5.68 5.12 5.08 -1.98 -3.46 114.58 121.87 2daw h GLU 56 Ca -0.19 -0.12 -0.60 0.00 -1.00 0.00 0.00 59.36 57.45 2daw h GLU 56 Cb 1.12 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 30.32 2daw h GLU 56 CO 0.20 0.69 0.35 0.00 -1.00 0.00 0.00 179.01 179.25 2daw s ALA 57 N -2.59 3.63 0.02 3.43 0.00 -1.26 -4.99 121.76 120.00 2daw s ALA 57 Ca -0.09 -0.25 -0.38 0.00 0.00 0.00 0.00 51.96 51.25 2daw s ALA 57 Cb 0.08 -3.19 -0.17 0.00 0.00 0.00 0.00 23.12 19.84 2daw s ALA 57 CO 0.81 -0.88 1.36 -0.11 0.00 0.00 0.00 175.76 176.95 2daw n LEU 58 N 5.89 1.53 -4.77 0.00 -0.00 -1.26 -4.92 117.00 113.46 2daw n LEU 58 Ca 0.03 1.12 -0.31 0.00 -0.00 0.00 0.00 56.01 56.85 2daw n LEU 58 Cb 0.48 -1.15 0.09 0.00 -0.00 0.00 0.00 43.42 42.84 2daw n LEU 58 CO 0.46 -1.07 0.71 -2.16 -0.00 0.00 0.00 177.39 175.32 2daw s PRO 59 N 0.85 2.31 -0.30 1.96 0.04 -1.26 -4.95 135.00 133.66 2daw s PRO 59 Ca 0.87 1.20 -0.29 0.00 0.04 0.00 0.00 61.00 62.83 2daw s PRO 59 Cb -1.02 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 31.60 2daw s PRO 59 CO 0.51 -1.60 1.66 -1.25 0.04 0.00 0.00 177.00 176.36 2daw s PRO 60 N -4.79 3.56 1.02 0.56 0.04 -1.26 -4.97 135.00 129.15 2daw s PRO 60 Ca 0.62 1.45 -0.23 0.00 0.04 0.00 0.00 61.00 62.88 2daw s PRO 60 Cb -0.18 -4.11 -0.11 0.00 0.04 0.00 0.00 34.50 30.15 2daw s PRO 60 CO 0.54 -1.58 -0.93 0.36 0.04 0.00 0.00 177.00 175.43 2daw n LYS 61 N 8.07 -0.37 -3.09 4.56 2.85 -1.26 -4.85 118.16 124.07 2daw n LYS 61 Ca 0.20 -0.10 -0.45 0.00 -1.05 0.00 0.00 58.31 56.92 2daw n LYS 61 Cb 0.46 -1.21 -0.04 0.00 -0.65 0.00 0.00 35.03 33.59 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 -2.08 4.85 -0.12 0.58 1.01 -1.25 -5.01 121.20 119.18 2daw s ILE 62 Ca 0.43 -1.15 0.03 0.00 0.00 0.00 0.00 60.65 59.96 2daw s ILE 62 Cb -0.02 -4.54 0.00 0.00 0.01 0.00 0.00 42.46 37.92 2daw s ILE 62 CO 0.70 -1.19 -0.23 -0.70 0.00 0.00 0.00 174.94 173.52 2daw s GLU 63 N 2.56 3.03 0.33 2.79 2.12 -1.26 -3.18 118.70 125.08 2daw s GLU 63 Ca 0.15 -0.87 -0.06 0.00 0.36 0.00 0.00 54.97 54.56 2daw s GLU 63 Cb -0.20 -2.36 0.02 0.00 0.26 0.00 0.00 34.13 31.86 2daw s GLU 63 CO 0.03 0.09 0.54 1.97 -0.54 0.00 0.00 175.26 177.35 2daw n PHE 64 N 3.77 -1.68 -4.77 5.30 -1.74 -1.02 -3.77 117.46 113.57 2daw n PHE 64 Ca -0.19 -1.93 -0.27 0.00 -0.56 0.00 0.00 57.45 54.49 2daw n PHE 64 Cb 0.52 0.62 -0.17 0.00 1.52 0.00 0.00 39.48 41.97 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 -2.56 1.45 -0.17 1.97 1.01 -1.11 -1.70 120.40 119.29 2daw s VAL 65 Ca 0.21 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 2daw s VAL 65 Cb -0.02 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 2daw s VAL 65 CO 0.16 0.43 -0.03 -0.63 0.00 0.00 0.00 175.10 175.02 2daw s ILE 66 N 0.60 3.84 -0.43 2.22 1.01 -0.10 -1.74 121.20 126.60 2daw s ILE 66 Ca -0.15 -0.37 -0.24 0.00 0.00 0.00 0.00 60.65 59.89 2daw s ILE 66 Cb -0.16 -2.70 0.02 0.00 0.01 0.00 0.00 42.46 39.63 2daw s ILE 66 CO 0.05 0.47 0.86 -0.89 0.00 0.00 0.00 174.94 175.43 2daw s THR 67 N 0.61 4.58 -0.78 2.92 2.01 -1.24 -1.25 115.64 122.50 2daw s THR 67 Ca -0.02 0.71 -0.26 0.00 0.31 0.00 0.00 61.69 62.43 2daw s THR 67 Cb -0.14 -4.35 0.04 0.00 0.01 0.00 0.00 72.50 68.05 2daw s THR 67 CO 0.02 -0.70 1.26 -0.76 -0.69 0.00 0.00 174.62 173.75 2daw s LEU 68 N 3.47 3.40 -1.41 4.42 2.01 -0.49 -4.92 118.68 125.15 2daw s LEU 68 Ca 0.34 -0.70 -0.14 0.00 0.01 0.00 0.00 54.13 53.64 2daw s LEU 68 Cb -0.11 -2.54 0.02 0.00 0.01 0.00 0.00 46.19 43.57 2daw s LEU 68 CO 0.23 -1.73 2.23 1.67 1.01 0.00 0.00 176.35 179.76 2daw n GLN 69 N 9.05 2.78 -1.53 1.70 0.00 -1.26 -3.26 117.38 124.85 2daw n GLN 69 Ca 0.07 -2.53 -0.55 0.00 -0.00 0.00 0.00 57.00 53.99 2daw n GLN 69 Cb 0.49 -3.24 -0.08 0.00 0.00 0.00 0.00 30.24 27.41 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 5.11 0.21 0.26 1.69 2.08 -1.17 -4.85 119.36 122.68 2daw n ILE 70 Ca 0.53 -0.13 -0.17 0.00 0.56 0.00 0.00 62.75 63.53 2daw n ILE 70 Cb 0.38 -1.28 -0.09 0.00 -0.75 0.00 0.00 39.64 37.90 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 9.63 -0.89 -3.25 0.38 5.08 -1.92 -3.16 114.58 120.46 2daw h GLU 71 Ca -0.33 0.06 -0.33 0.00 -1.00 0.00 0.00 59.36 57.77 2daw h GLU 71 Cb 1.34 0.20 -0.37 0.00 0.50 0.00 0.00 28.75 30.42 2daw h GLU 71 CO 1.01 -0.59 -0.69 -2.00 -1.00 0.00 0.00 179.01 175.73 2daw s GLU 72 N -5.89 -0.02 0.72 2.33 2.12 -1.26 -2.75 118.70 113.95 2daw s GLU 72 Ca -0.18 0.42 -0.12 0.00 0.36 0.00 0.00 54.97 55.45 2daw s GLU 72 Cb 0.05 -0.37 0.03 0.00 0.26 0.00 0.00 34.13 34.10 2daw s GLU 72 CO 0.61 -0.29 1.10 -1.25 -0.54 0.00 0.00 175.26 174.89 2daw s PRO 73 N 2.01 2.50 -0.85 4.30 0.04 -1.26 -4.59 135.00 137.14 2daw s PRO 73 Ca 0.02 1.27 -0.25 0.00 0.04 0.00 0.00 61.00 62.07 2daw s PRO 73 Cb -0.12 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.52 2daw s PRO 73 CO -0.04 -1.47 1.48 0.21 0.04 0.00 0.00 177.00 177.22 2daw s LYS 74 N -4.54 3.22 0.13 4.56 2.47 -1.11 -4.63 119.74 119.85 2daw s LYS 74 Ca 0.64 -0.50 -0.03 0.00 -1.56 0.00 0.00 55.97 54.51 2daw s LYS 74 Cb -0.19 -4.76 -0.03 0.00 -1.46 0.00 0.00 37.83 31.39 2daw s LYS 74 CO 0.49 -2.37 0.11 0.14 0.16 0.00 0.00 175.35 173.89 2daw s VAL 75 N 6.25 0.10 -0.14 4.02 -7.23 -1.19 -5.05 120.40 117.16 2daw s VAL 75 Ca 0.46 -1.77 -0.02 0.00 -1.81 0.00 0.00 61.98 58.84 2daw s VAL 75 Cb -0.05 -1.96 -0.03 0.00 0.56 0.00 0.00 36.38 34.90 2daw s VAL 75 CO 0.04 -0.45 -0.06 -0.75 -0.31 0.00 0.00 175.10 173.57 2daw s LYS 76 N -4.02 3.48 -0.10 4.82 2.20 -1.26 -3.05 119.74 121.82 2daw s LYS 76 Ca 0.21 -0.55 -0.02 0.00 -0.36 0.00 0.00 55.97 55.26 2daw s LYS 76 Cb 0.06 -2.82 0.04 0.00 -1.51 0.00 0.00 37.83 33.60 2daw s LYS 76 CO 0.01 0.31 0.02 0.42 -0.36 0.00 0.00 175.35 175.75 2daw s ILE 77 N 0.16 0.33 -0.27 5.43 1.01 -1.20 -4.65 121.20 122.00 2daw s ILE 77 Ca -0.02 -0.00 -0.29 0.00 0.00 0.00 0.00 60.65 60.33 2daw s ILE 77 Cb -0.14 -0.60 0.01 0.00 0.01 0.00 0.00 42.46 41.74 2daw s ILE 77 CO 0.03 0.13 1.10 -1.81 0.00 0.00 0.00 174.94 174.39 2daw s ASP 78 N 1.98 6.97 -0.38 3.58 1.11 -0.83 -1.40 116.67 127.71 2daw s ASP 78 Ca 0.04 1.23 -0.08 0.00 0.18 0.00 0.00 52.55 53.92 2daw s ASP 78 Cb -0.13 -2.54 0.05 0.00 1.07 0.00 0.00 42.92 41.37 2daw s ASP 78 CO -0.06 -0.81 0.18 -0.22 1.18 0.00 0.00 175.17 175.44 2daw s LEU 79 N 3.54 4.72 -0.48 1.23 2.96 -0.38 -0.45 118.68 129.82 2daw s LEU 79 Ca 0.47 -1.27 -0.26 0.00 -0.22 0.00 0.00 54.13 52.84 2daw s LEU 79 Cb -0.14 -1.94 0.03 0.00 0.50 0.00 0.00 46.19 44.64 2daw s LEU 79 CO 0.13 -0.42 1.00 -1.10 -1.32 0.00 0.00 176.35 174.63 2daw s GLN 80 N 1.43 3.56 -0.19 1.98 -0.21 0.57 -0.92 119.66 125.90 2daw s GLN 80 Ca 0.01 0.24 -0.07 0.00 0.02 0.00 0.00 55.36 55.55 2daw s GLN 80 Cb -0.21 -3.94 -0.04 0.00 1.00 0.00 0.00 33.01 29.83 2daw s GLN 80 CO 0.03 -1.31 0.06 0.54 -2.12 0.00 0.00 175.29 172.49 2daw s VAL 81 N 4.02 4.73 -0.25 1.09 0.11 -0.69 -1.70 120.40 127.71 2daw s VAL 81 Ca 0.40 -0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.40 2daw s VAL 81 Cb -0.09 -3.13 0.07 0.00 -1.53 0.00 0.00 36.38 31.70 2daw s VAL 81 CO 0.27 0.45 0.00 -0.89 -3.33 0.00 0.00 175.10 171.61 2daw s THR 82 N 0.44 1.30 -0.26 5.04 2.01 -0.62 -2.42 115.64 121.13 2daw s THR 82 Ca 0.03 -1.26 -0.13 0.00 0.31 0.00 0.00 61.69 60.64 2daw s THR 82 Cb -0.13 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.61 2daw s THR 82 CO 0.01 -0.29 0.26 -0.04 -0.69 0.00 0.00 174.62 173.86 2daw s MET 83 N 1.47 4.03 0.00 4.92 -1.94 -1.19 -2.26 119.30 124.32 2daw s MET 83 Ca 0.00 -0.14 0.00 0.00 -1.71 0.00 0.00 55.69 53.84 2daw s MET 83 Cb -0.18 -3.61 0.00 0.00 2.01 0.00 0.00 34.83 33.05 2daw s MET 83 CO -0.11 -0.13 0.00 -0.35 -0.01 0.00 0.00 175.02 174.43 2daw n PRO 84 N 4.86 0.24 0.02 2.03 -0.04 -1.26 -3.80 135.00 137.04 2daw n PRO 84 Ca -0.12 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.29 2daw n PRO 84 Cb 0.52 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.87 2daw n PRO 84 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2daw h HIS 85 N -0.89 0.00 0.03 0.54 3.86 -1.98 -3.37 115.15 113.35 2daw h HIS 85 Ca 0.00 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.08 2daw h HIS 85 Cb 0.00 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.48 2daw h HIS 85 CO 0.00 0.84 -0.54 0.77 0.86 0.00 0.00 177.93 179.87 2daw h SER 86 N 0.00 0.41 -0.90 2.45 0.02 -1.92 -3.34 113.55 110.28 2daw h SER 86 Ca -0.19 -0.83 -0.39 0.00 -0.84 0.00 0.00 61.79 59.54 2daw h SER 86 Cb 1.81 -0.13 0.09 0.00 0.14 0.00 0.00 62.40 64.31 2daw h SER 86 CO 0.08 1.19 -0.50 0.00 -1.14 0.00 0.00 176.83 176.46 2daw n TYR 87 N -4.29 -0.97 0.97 3.45 4.19 -1.26 -0.74 117.16 118.52 2daw n TYR 87 Ca -0.11 0.45 0.04 0.00 3.31 0.00 0.00 57.90 61.59 2daw n TYR 87 Cb 0.66 -1.13 0.21 0.00 0.49 0.00 0.00 39.34 39.57 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 0.76 0.49 -0.03 2.98 -0.04 -1.26 -4.25 135.00 133.63 2daw n PRO 88 Ca 0.08 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2daw n PRO 88 Cb 0.22 -1.23 0.01 0.00 -0.04 0.00 0.00 33.50 32.46 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 -0.73 0.08 -3.85 0.54 4.02 0.08 -3.40 117.16 113.91 2daw n TYR 89 Ca 0.05 -0.30 -0.09 0.00 -0.01 0.00 0.00 57.90 57.56 2daw n TYR 89 Cb 0.02 -0.20 -0.07 0.00 -0.02 0.00 0.00 39.34 39.08 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 -0.10 1.17 -1.27 7.72 1.98 -1.26 -4.83 118.68 122.09 2daw s LEU 90 Ca 0.02 -0.65 -0.13 0.00 -2.89 0.00 0.00 54.13 50.47 2daw s LEU 90 Cb 0.01 1.19 0.14 0.00 0.66 0.00 0.00 46.19 48.20 2daw s LEU 90 CO 0.00 -0.79 1.67 0.00 -1.89 0.00 0.00 176.35 175.35 2daw n ALA 91 N -0.12 4.38 -0.96 5.97 0.00 -1.26 -4.62 120.51 123.90 2daw n ALA 91 Ca -0.13 -4.17 -0.36 0.00 0.00 0.00 0.00 53.44 48.77 2daw n ALA 91 Cb 0.63 -3.16 0.05 0.00 0.00 0.00 0.00 19.45 16.97 2daw n ALA 91 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2daw n LEU 92 N 5.62 -4.38 -4.32 0.00 -0.00 -1.26 -4.95 117.00 107.70 2daw n LEU 92 Ca 0.41 0.12 -0.34 0.00 -0.00 0.00 0.00 56.01 56.20 2daw n LEU 92 Cb 0.41 -0.74 -0.14 0.00 -0.00 0.00 0.00 43.42 42.95 2daw n LEU 92 CO 0.72 -4.61 -0.42 -1.58 -0.00 0.00 0.00 177.39 171.51 2daw s GLN 93 N -2.24 3.36 -0.14 1.47 2.00 -0.96 -5.00 119.66 118.14 2daw s GLN 93 Ca 0.41 -0.66 0.01 0.00 -2.00 0.00 0.00 55.36 53.13 2daw s GLN 93 Cb -0.09 -2.82 0.02 0.00 0.80 0.00 0.00 33.01 30.91 2daw s GLN 93 CO 0.76 -0.03 -0.18 -0.51 -0.50 0.00 0.00 175.29 174.82 2daw s LEU 94 N 1.00 1.92 -0.18 3.68 1.43 -1.26 -1.58 118.68 123.69 2daw s LEU 94 Ca -0.01 -0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 52.53 2daw s LEU 94 Cb -0.15 -1.31 0.05 0.00 0.03 0.00 0.00 46.19 44.81 2daw s LEU 94 CO -0.01 0.01 -0.02 0.12 0.23 0.00 0.00 176.35 176.69 2daw s PHE 95 N 1.12 1.50 -0.30 0.29 2.19 -0.69 -4.70 117.98 117.39 2daw s PHE 95 Ca -0.01 -1.03 -0.10 0.00 0.33 0.00 0.00 56.93 56.11 2daw s PHE 95 Cb -0.14 -1.22 -0.02 0.00 -1.31 0.00 0.00 43.02 40.33 2daw s PHE 95 CO -0.06 -0.61 0.16 0.20 1.83 0.00 0.00 175.22 176.73 2daw s GLY 96 N 1.70 1.87 -0.06 13.12 0.00 -1.26 -0.31 107.32 122.38 2daw s GLY 96 Ca -0.01 -1.30 0.05 0.00 0.00 0.00 0.00 44.72 43.47 2daw s GLY 96 CO -0.07 0.67 -0.22 0.50 0.00 0.00 0.00 173.10 173.98 2daw s ARG 97 N 1.65 2.34 -0.00 2.90 0.52 0.40 -4.84 118.95 121.92 2daw s ARG 97 Ca 0.05 -0.79 -0.00 0.00 -0.52 0.00 0.00 55.73 54.48 2daw s ARG 97 Cb -0.17 -1.96 0.00 0.00 0.52 0.00 0.00 34.95 33.35 2daw s ARG 97 CO 0.07 0.29 0.01 -1.54 0.02 0.00 0.00 175.30 174.15 2daw s SER 98 N 0.01 0.00 0.35 0.23 1.04 -1.26 -1.96 113.70 112.11 2daw s SER 98 Ca -0.06 0.01 0.07 0.00 0.48 0.00 0.00 55.95 56.45 2daw s SER 98 Cb -0.14 0.00 0.76 0.00 0.10 0.00 0.00 66.02 66.74 2daw s SER 98 CO 0.04 -0.01 1.89 0.77 0.98 0.00 0.00 173.24 176.91 2daw h SER 99 N 6.24 0.70 0.42 7.02 4.64 -2.01 -2.92 113.55 127.63 2daw h SER 99 Ca -0.26 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.07 2daw h SER 99 Cb 1.20 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2daw h SER 99 CO 0.50 0.39 -0.21 -0.33 -0.87 0.00 0.00 176.83 176.31 2daw h GLU 100 N 0.76 -0.55 -6.72 4.77 4.39 -1.96 -3.43 114.58 111.84 2daw h GLU 100 Ca 0.42 0.04 -0.56 0.00 0.34 0.00 0.00 59.36 59.59 2daw h GLU 100 Cb 0.55 0.13 0.09 0.00 -0.10 0.00 0.00 28.75 29.42 2daw h GLU 100 CO -0.18 -0.37 0.70 1.28 -1.16 0.00 0.00 179.01 179.28 2daw n LEU 101 N -3.58 3.78 -4.95 1.33 4.77 -1.11 -4.99 117.00 112.26 2daw n LEU 101 Ca -0.07 1.16 -0.24 0.00 -0.03 0.00 0.00 56.01 56.84 2daw n LEU 101 Cb 0.23 -1.51 0.01 0.00 -2.33 0.00 0.00 43.42 39.81 2daw n LEU 101 CO 0.17 -0.21 0.30 -1.81 -1.33 0.00 0.00 177.39 174.52 2daw s ASP 102 N 0.20 5.88 0.14 -1.43 1.01 -1.26 -4.66 116.67 116.55 2daw s ASP 102 Ca 0.63 0.37 -0.17 0.00 0.71 0.00 0.00 52.55 54.09 2daw s ASP 102 Cb -0.56 -1.63 0.07 0.00 1.01 0.00 0.00 42.92 41.81 2daw s ASP 102 CO 0.53 -0.69 1.11 -1.14 0.21 0.00 0.00 175.17 175.19 2daw n ARG 103 N -2.11 -0.24 0.06 8.23 0.63 -1.26 0.31 116.66 122.29 2daw n ARG 103 Ca 0.01 1.09 -0.13 0.00 -0.92 0.00 0.00 57.85 57.91 2daw n ARG 103 Cb 0.57 -1.62 -0.06 0.00 0.45 0.00 0.00 32.46 31.81 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 -1.08 0.19 -0.14 2.76 -1.99 -1.25 115.15 113.63 2daw h HIS 104 Ca 0.19 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.39 2daw h HIS 104 Cb 0.37 0.47 -0.01 0.00 1.55 0.00 0.00 27.41 29.79 2daw h HIS 104 CO -0.68 -0.47 -0.18 1.96 -1.30 0.00 0.00 177.93 177.26 2daw h GLN 105 N -0.54 -0.36 -0.90 5.26 1.08 -0.50 -0.63 115.11 118.53 2daw h GLN 105 Ca 0.05 0.02 0.31 0.00 -1.45 0.00 0.00 58.65 57.58 2daw h GLN 105 Cb 0.62 0.08 -0.17 0.00 -0.05 0.00 0.00 27.48 27.97 2daw h GLN 105 CO -0.30 -0.24 0.23 1.04 -0.95 0.00 0.00 178.83 178.61 2daw n GLN 106 N -3.44 -0.06 0.16 1.46 6.02 0.49 0.36 117.38 122.37 2daw n GLN 106 Ca -0.04 1.30 -0.14 0.00 -0.01 0.00 0.00 57.00 58.11 2daw n GLN 106 Cb 0.17 -2.18 -0.08 0.00 1.02 0.00 0.00 30.24 29.16 2daw n GLN 106 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2daw h LEU 107 N 0.00 -0.35 -0.56 1.08 5.85 -0.77 -0.75 115.31 119.82 2daw h LEU 107 Ca 0.65 -0.14 0.09 0.00 0.84 0.00 0.00 57.88 59.31 2daw h LEU 107 Cb 1.54 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.59 2daw h LEU 107 CO -0.78 -0.05 0.18 -0.07 -0.34 0.00 0.00 178.44 177.39 2daw h LEU 108 N -0.66 0.16 0.72 2.25 3.38 0.15 0.12 115.31 121.43 2daw h LEU 108 Ca -0.04 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 2daw h LEU 108 Cb 0.46 0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.29 2daw h LEU 108 CO 0.07 0.10 -0.35 0.25 0.09 0.00 0.00 178.44 178.61 2daw h LEU 109 N 0.35 -0.82 -0.03 1.67 5.85 -0.74 -2.85 115.31 118.75 2daw h LEU 109 Ca 0.28 0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.05 2daw h LEU 109 Cb 0.35 0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 2daw h LEU 109 CO -0.30 -0.56 -0.36 0.78 -0.34 0.00 0.00 178.44 177.66 2daw h ASN 110 N -1.03 -1.10 -0.98 1.25 2.35 -0.84 -1.49 115.58 113.75 2daw h ASN 110 Ca -0.10 0.14 0.28 0.00 -0.55 0.00 0.00 56.30 56.07 2daw h ASN 110 Cb 0.76 0.44 -0.18 0.00 0.05 0.00 0.00 38.32 39.39 2daw h ASN 110 CO 0.16 -0.41 0.08 0.50 -1.65 0.00 0.00 177.43 176.11 2daw h LYS 111 N -0.50 0.02 -0.20 0.81 3.64 -0.77 0.56 116.57 120.13 2daw h LYS 111 Ca 0.06 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 2daw h LYS 111 Cb 0.60 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 2daw h LYS 111 CO -0.31 0.01 -0.03 0.78 -2.27 0.00 0.00 179.45 177.64 2daw h GLY 112 N 0.02 0.40 0.59 5.01 0.00 -1.06 -2.92 103.07 105.11 2daw h GLY 112 Ca 0.61 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.60 2daw h GLY 112 CO -0.89 0.29 -0.28 -2.00 0.00 0.00 0.00 176.54 173.65 2daw h LEU 113 N 0.10 -0.67 -0.89 3.11 5.85 0.46 0.26 115.31 123.53 2daw h LEU 113 Ca 0.05 0.02 0.14 0.00 0.84 0.00 0.00 57.88 58.93 2daw h LEU 113 Cb 0.45 0.17 -0.14 0.00 0.37 0.00 0.00 40.66 41.51 2daw h LEU 113 CO 0.02 -0.38 -0.34 0.35 -0.34 0.00 0.00 178.44 177.74 2daw n THR 114 N -4.68 -0.47 -0.02 1.05 -2.24 0.16 0.14 114.28 108.22 2daw n THR 114 Ca -0.10 2.09 -0.06 0.00 -2.27 0.00 0.00 64.05 63.71 2daw n THR 114 Cb 0.31 -2.76 0.14 0.00 -2.10 0.00 0.00 70.33 65.93 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 0.59 0.08 3.42 0.02 -1.54 -2.13 113.55 113.98 2daw h SER 115 Ca 0.31 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2daw h SER 115 Cb 0.54 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 2daw h SER 115 CO -0.89 0.85 -0.01 0.22 -1.14 0.00 0.00 176.83 175.87 2daw h TYR 116 N 0.50 0.00 0.04 3.45 3.20 0.34 -2.11 116.97 122.38 2daw h TYR 116 Ca 0.06 0.00 -0.34 0.00 3.14 0.00 0.00 58.73 61.59 2daw h TYR 116 Cb 0.76 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.98 2daw h TYR 116 CO 0.03 0.01 -2.02 -0.89 -1.64 0.00 0.00 178.16 173.65 2daw n ILE 117 N -3.45 1.61 0.18 1.81 2.08 -0.05 -4.07 119.36 117.47 2daw n ILE 117 Ca -0.03 -0.73 0.12 0.00 0.56 0.00 0.00 62.75 62.67 2daw n ILE 117 Cb 0.10 -1.21 0.63 0.00 -0.75 0.00 0.00 39.64 38.41 2daw n ILE 117 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 2daw h GLY 118 N 2.65 0.00 0.58 7.39 0.00 -0.73 -1.95 103.07 111.00 2daw h GLY 118 Ca -0.41 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.79 2daw h GLY 118 CO 0.05 0.00 -0.54 -0.91 0.00 0.00 0.00 176.54 175.15 2daw h THR 119 N 0.00 1.53 -1.46 4.70 1.35 -1.68 -3.46 112.91 113.89 2daw h THR 119 Ca 0.00 -2.27 -0.65 0.00 -0.55 0.00 0.00 66.41 62.95 2daw h THR 119 Cb 0.09 2.97 0.12 0.00 -1.73 0.00 0.00 68.15 69.60 2daw h THR 119 CO 0.00 0.63 -0.49 0.49 -0.25 0.00 0.00 175.52 175.90 2daw n PHE 120 N -4.29 -0.50 -2.89 4.73 3.01 -0.74 -4.94 117.46 111.83 2daw n PHE 120 Ca -0.12 0.84 -0.27 0.00 1.01 0.00 0.00 57.45 58.91 2daw n PHE 120 Cb 0.67 -1.97 -0.01 0.00 -0.01 0.00 0.00 39.48 38.16 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 -0.93 6.31 0.13 4.37 1.01 -1.26 -5.04 116.67 121.26 2daw s ASP 121 Ca 0.62 0.82 -0.31 0.00 0.71 0.00 0.00 52.55 54.39 2daw s ASP 121 Cb -0.82 -2.19 -0.08 0.00 1.01 0.00 0.00 42.92 40.84 2daw s ASP 121 CO 0.58 -0.46 1.34 -2.16 0.21 0.00 0.00 175.17 174.68 2daw s PRO 122 N -4.45 4.35 0.00 8.23 0.04 -1.26 -3.74 135.00 138.17 2daw s PRO 122 Ca 0.46 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.53 2daw s PRO 122 Cb -0.10 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.20 2daw s PRO 122 CO 0.40 -0.36 0.00 0.41 0.04 0.00 0.00 177.00 177.49 2daw n GLY 123 N 3.12 3.63 3.95 0.56 0.00 -1.22 -4.94 105.19 110.29 2daw n GLY 123 Ca 0.10 -0.93 -0.23 0.00 0.00 0.00 0.00 46.02 44.96 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 3.47 0.70 1.61 -1.05 -1.25 -4.79 118.70 117.39 2daw s GLU 124 Ca 0.00 -0.41 -0.14 0.00 -0.15 0.00 0.00 54.97 54.27 2daw s GLU 124 Cb 0.00 -2.70 0.02 0.00 -0.44 0.00 0.00 34.13 31.01 2daw s GLU 124 CO 0.00 0.18 1.12 -0.51 0.95 0.00 0.00 175.26 177.01 2daw s LEU 125 N -4.27 3.29 0.00 1.83 1.43 -1.26 -4.76 118.68 114.95 2daw s LEU 125 Ca 0.39 2.02 0.00 0.00 -1.03 0.00 0.00 54.13 55.52 2daw s LEU 125 Cb -0.09 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.57 2daw s LEU 125 CO 0.35 -1.85 0.00 0.00 0.23 0.00 0.00 176.35 175.08 2daw h VAL 127 N 0.00 0.65 -0.18 0.00 3.04 -2.00 0.46 116.25 118.22 2daw h VAL 127 Ca 0.00 -0.21 0.05 0.00 -1.01 0.00 0.00 66.70 65.53 2daw h VAL 127 Cb 0.71 -0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 29.96 2daw h VAL 127 CO 0.00 0.11 0.20 0.00 -1.01 0.00 0.00 177.57 176.88 2daw h ALA 129 N 1.77 0.24 -0.44 0.00 0.00 -0.42 -3.37 119.26 117.04 2daw h ALA 129 Ca 0.09 -1.19 0.09 0.00 0.00 0.00 0.00 54.91 53.89 2daw h ALA 129 Cb 0.49 0.55 -0.10 0.00 0.00 0.00 0.00 17.79 18.74 2daw h ALA 129 CO -0.00 1.01 -0.27 0.00 0.00 0.00 0.00 179.25 179.98 2daw h ALA 130 N 0.00 -0.03 -0.22 0.00 0.00 -0.45 0.10 119.26 118.67 2daw h ALA 130 Ca -0.35 0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.72 2daw h ALA 130 Cb 1.91 0.63 -0.05 0.00 0.00 0.00 0.00 17.79 20.27 2daw h ALA 130 CO 0.09 -0.65 -0.40 0.82 0.00 0.00 0.00 179.25 179.11 2daw h ILE 131 N -0.19 0.00 -0.48 0.00 2.04 -1.68 0.14 117.51 117.35 2daw h ILE 131 Ca 0.20 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.14 2daw h ILE 131 Cb 0.51 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.52 2daw h ILE 131 CO -0.55 0.00 0.10 -0.61 0.00 0.00 0.00 178.15 177.09 2daw h GLN 132 N -0.34 0.23 0.09 2.37 5.75 -1.60 -2.58 115.11 119.04 2daw h GLN 132 Ca 0.04 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2daw h GLN 132 Cb 0.45 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.93 2daw h GLN 132 CO -0.39 0.15 -0.27 2.35 -2.65 0.00 0.00 178.83 178.03 2daw h TRP 133 N 0.24 -0.77 -0.73 3.99 7.01 0.11 -2.85 115.95 122.94 2daw h TRP 133 Ca 0.24 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.32 2daw h TRP 133 Cb 0.31 0.32 -0.09 0.00 -2.10 0.00 0.00 29.16 27.60 2daw h TRP 133 CO -0.22 -0.31 -0.48 -0.07 -2.79 0.00 0.00 178.44 174.58 2daw h LEU 134 N -0.41 -1.73 -0.78 0.65 3.38 -0.59 0.26 115.31 116.10 2daw h LEU 134 Ca -0.01 0.26 0.17 0.00 0.09 0.00 0.00 57.88 58.39 2daw h LEU 134 Cb 0.40 0.75 -0.15 0.00 0.09 0.00 0.00 40.66 41.75 2daw h LEU 134 CO -0.13 -0.21 -0.15 0.00 0.09 0.00 0.00 178.44 178.04 2daw n GLN 135 N -4.84 -0.07 -0.04 1.13 1.13 -0.99 0.78 117.38 114.49 2daw n GLN 135 Ca 0.01 1.21 -0.14 0.00 -1.94 0.00 0.00 57.00 56.14 2daw n GLN 135 Cb 0.22 -1.83 -0.09 0.00 0.11 0.00 0.00 30.24 28.65 2daw n GLN 135 CO 0.00 0.00 0.00 0.22 -1.44 0.00 0.00 177.06 175.84 2daw h ASP 136 N 0.00 0.33 -0.79 1.08 3.58 -0.42 -3.25 116.42 116.95 2daw h ASP 136 Ca 0.40 -0.59 -0.42 0.00 0.42 0.00 0.00 57.03 56.84 2daw h ASP 136 Cb 0.66 -0.10 -0.16 0.00 1.72 0.00 0.00 39.33 41.46 2daw h ASP 136 CO -0.79 0.87 0.36 0.59 -2.88 0.00 0.00 179.24 177.39 2daw n ASN 137 N -4.52 6.41 -0.00 2.28 3.02 0.23 -4.15 115.26 118.53 2daw n ASN 137 Ca -0.08 -3.12 -0.03 0.00 -0.03 0.00 0.00 54.58 51.32 2daw n ASN 137 Cb 0.43 -1.18 -0.01 0.00 -0.61 0.00 0.00 39.78 38.41 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 0.75 0.49 -0.00 6.41 2.88 0.23 -4.78 113.62 119.61 2daw n SER 138 Ca 0.42 0.07 -0.11 0.00 -1.33 0.00 0.00 58.87 57.92 2daw n SER 138 Cb 0.58 -0.18 -0.05 0.00 -0.75 0.00 0.00 64.21 63.81 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 -0.12 0.12 -1.18 -1.46 0.00 -1.76 -2.26 119.26 112.60 2daw h ALA 139 Ca -0.07 -0.02 0.41 0.00 0.00 0.00 0.00 54.91 55.24 2daw h ALA 139 Cb 0.83 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.46 2daw h ALA 139 CO -0.04 -0.38 0.75 0.45 0.00 0.00 0.00 179.25 180.04 2daw n SER 140 N -5.01 0.19 -0.05 0.00 2.88 -1.26 0.73 113.62 111.09 2daw n SER 140 Ca -0.05 1.21 -0.20 0.00 -1.33 0.00 0.00 58.87 58.49 2daw n SER 140 Cb 0.04 -0.59 -0.13 0.00 -0.75 0.00 0.00 64.21 62.78 2daw n SER 140 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 2daw h TYR 141 N 0.00 0.18 0.10 0.66 -1.99 -1.76 -3.41 116.97 110.76 2daw h TYR 141 Ca 0.76 -0.13 -0.01 0.00 2.00 0.00 0.00 58.73 61.35 2daw h TYR 141 Cb 2.44 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 41.16 2daw h TYR 141 CO -0.01 1.44 -0.05 0.74 -0.00 0.00 0.00 178.16 180.29 2daw h PHE 142 N -0.69 -0.13 -6.97 4.88 -1.00 0.71 -3.46 116.94 110.26 2daw h PHE 142 Ca -0.27 -0.00 -0.59 0.00 2.81 0.00 0.00 57.97 59.91 2daw h PHE 142 Cb 1.45 0.04 -0.27 0.00 3.61 0.00 0.00 35.95 40.79 2daw h PHE 142 CO 0.14 -0.08 -0.89 1.28 -1.61 0.00 0.00 178.31 177.14 2daw n LEU 143 N -2.54 -1.26 -4.52 1.54 4.77 0.22 -4.91 117.00 110.30 2daw n LEU 143 Ca -0.02 -1.16 -0.35 0.00 -0.03 0.00 0.00 56.01 54.45 2daw n LEU 143 Cb 0.06 -1.81 -0.11 0.00 -2.33 0.00 0.00 43.42 39.22 2daw n LEU 143 CO 0.04 0.26 -0.28 0.21 -1.33 0.00 0.00 177.39 176.29 2daw s ASN 144 N -3.58 5.27 -0.28 -1.43 3.84 -1.26 -5.08 114.94 112.41 2daw s ASN 144 Ca 0.57 -0.09 -0.13 0.00 0.21 0.00 0.00 52.86 53.43 2daw s ASN 144 Cb -0.33 -1.92 -0.04 0.00 -0.55 0.00 0.00 41.25 38.42 2daw s ASN 144 CO 0.98 0.08 0.28 -0.13 -2.79 0.00 0.00 177.10 175.52 2daw s ARG 145 N 0.95 3.92 -0.08 0.43 0.52 -1.26 -4.91 118.95 118.52 2daw s ARG 145 Ca 0.03 -0.19 0.00 0.00 -0.52 0.00 0.00 55.73 55.05 2daw s ARG 145 Cb -0.14 -3.68 0.02 0.00 0.52 0.00 0.00 34.95 31.67 2daw s ARG 145 CO 0.03 -0.27 -0.06 0.15 0.02 0.00 0.00 175.30 175.17 2daw s LYS 146 N 1.91 1.19 -0.51 3.54 1.02 -1.26 -5.10 119.74 120.53 2daw s LYS 146 Ca 0.11 -0.16 0.01 0.00 0.02 0.00 0.00 55.97 55.95 2daw s LYS 146 Cb -0.16 -1.25 0.13 0.00 -0.52 0.00 0.00 37.83 36.03 2daw s LYS 146 CO 0.11 -0.19 0.28 -1.17 -0.92 0.00 0.00 175.35 173.45 2daw s LEU 147 N 1.44 4.76 -0.14 3.17 0.20 -1.26 -4.87 118.68 121.98 2daw s LEU 147 Ca -0.02 -2.74 -0.00 0.00 0.69 0.00 0.00 54.13 52.06 2daw s LEU 147 Cb -0.13 -1.72 -0.08 0.00 -0.43 0.00 0.00 46.19 43.82 2daw s LEU 147 CO -0.04 -0.33 -0.13 1.33 -0.29 0.00 0.00 176.35 176.90 2daw n VAL 148 N 3.54 0.77 -1.52 1.68 0.24 -1.26 -5.02 118.33 116.76 2daw n VAL 148 Ca 0.05 -0.28 -0.48 0.00 -2.04 0.00 0.00 64.34 61.60 2daw n VAL 148 Cb 0.36 -1.10 -0.03 0.00 -1.47 0.00 0.00 33.84 31.60 2daw n VAL 148 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2daw n SER 149 N -3.02 0.46 -4.07 -1.34 7.64 -1.26 -4.98 113.62 107.04 2daw n SER 149 Ca -0.25 1.15 -0.09 0.00 1.01 0.00 0.00 58.87 60.70 2daw n SER 149 Cb 0.74 -1.14 -0.10 0.00 -1.01 0.00 0.00 64.21 62.70 2daw n SER 149 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2daw s GLY 150 N -0.51 0.46 1.12 0.23 0.00 -1.26 -5.16 107.32 102.20 2daw s GLY 150 Ca 0.66 -1.03 -0.16 0.00 0.00 0.00 0.00 44.72 44.19 2daw s GLY 150 CO 0.57 -1.13 1.10 2.56 0.00 0.00 0.00 173.10 176.20 2daw s PRO 151 N -3.06 -0.56 -1.16 2.90 0.04 -1.26 -4.23 135.00 127.67 2daw s PRO 151 Ca 0.00 0.17 -0.07 0.00 0.04 0.00 0.00 61.00 61.14 2daw s PRO 151 Cb 0.01 -1.65 0.01 0.00 0.04 0.00 0.00 34.50 32.91 2daw s PRO 151 CO -0.06 -3.32 1.01 0.43 0.04 0.00 0.00 177.00 175.10 2daw n SER 152 N -4.53 -5.38 0.10 6.66 7.64 -1.26 -4.92 113.62 111.92 2daw n SER 152 Ca 0.10 -0.47 -0.13 0.00 1.01 0.00 0.00 58.87 59.37 2daw n SER 152 Cb 0.59 -4.43 -0.06 0.00 -1.01 0.00 0.00 64.21 59.30 2daw n SER 152 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2daw h SER 153 N -2.27 -0.96 -0.02 6.43 0.02 -2.05 -3.57 113.55 111.13 2daw h SER 153 Ca -0.49 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2daw h SER 153 Cb 1.32 0.37 0.00 0.00 0.14 0.00 0.00 62.40 64.23 2daw h SER 153 CO 0.48 -0.41 0.00 0.61 -1.14 0.00 0.00 176.83 176.37