#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dkq n SER 2 N 0.00 0.53 -4.63 2.61 7.64 -1.26 -4.96 113.62 113.55 1dkq n SER 2 Ca 0.00 1.15 -0.32 0.00 1.01 0.00 0.00 58.87 60.71 1dkq n SER 2 Cb 0.00 -1.13 -0.10 0.00 -1.01 0.00 0.00 64.21 61.98 1dkq n SER 2 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1dkq s GLU 3 N -0.72 2.57 0.25 1.43 2.56 -1.26 -5.09 118.70 118.44 1dkq s GLU 3 Ca 0.70 -0.74 -0.30 0.00 0.00 0.00 0.00 54.97 54.63 1dkq s GLU 3 Cb -0.89 -2.53 -0.11 0.00 2.00 0.00 0.00 34.13 32.60 1dkq s GLU 3 CO 0.55 0.59 1.52 -2.14 -0.56 0.00 0.00 175.26 175.22 1dkq s PRO 4 N -1.67 4.21 0.00 4.30 0.02 -1.26 -4.91 135.00 135.69 1dkq s PRO 4 Ca 0.19 2.41 0.25 0.00 0.02 0.00 0.00 61.00 63.87 1dkq s PRO 4 Cb -0.11 -3.09 0.46 0.00 0.02 0.00 0.00 34.50 31.78 1dkq s PRO 4 CO 0.10 -0.53 1.38 -0.85 -0.33 0.00 0.00 177.00 176.77 1dkq n GLU 5 N 2.61 0.39 -5.16 5.54 0.28 -1.26 -4.86 120.64 118.19 1dkq n GLU 5 Ca 0.09 -0.25 -0.30 0.00 -0.16 0.00 0.00 57.16 56.54 1dkq n GLU 5 Cb 0.39 -1.49 -0.16 0.00 1.43 0.00 0.00 31.44 31.60 1dkq n GLU 5 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1dkq s LEU 6 N -2.78 2.03 -0.18 -1.84 2.01 -1.26 -0.28 118.68 116.37 1dkq s LEU 6 Ca 0.16 -0.47 -0.01 0.00 0.01 0.00 0.00 54.13 53.82 1dkq s LEU 6 Cb 0.18 -1.27 -0.00 0.00 0.01 0.00 0.00 46.19 45.11 1dkq s LEU 6 CO 0.65 0.22 -0.11 -0.75 1.01 0.00 0.00 176.35 177.37 1dkq s LYS 7 N -0.14 3.28 0.12 1.70 2.20 0.64 -4.88 119.74 122.66 1dkq s LYS 7 Ca -0.03 -0.70 -0.31 0.00 -0.36 0.00 0.00 55.97 54.57 1dkq s LYS 7 Cb -0.13 -2.77 -0.08 0.00 -1.51 0.00 0.00 37.83 33.34 1dkq s LYS 7 CO 0.03 -0.06 1.44 -1.17 -0.36 0.00 0.00 175.35 175.24 1dkq s LEU 8 N 1.04 4.37 0.00 5.43 0.20 -1.26 -0.68 118.68 127.78 1dkq s LEU 8 Ca -0.00 2.39 0.00 0.00 0.69 0.00 0.00 54.13 57.20 1dkq s LEU 8 Cb -0.15 -3.59 0.00 0.00 -0.43 0.00 0.00 46.19 42.03 1dkq s LEU 8 CO -0.02 -0.71 0.00 -0.62 -0.29 0.00 0.00 176.35 174.71 1dkq n GLU 9 N 4.13 2.37 -3.68 1.98 1.02 -0.72 -4.75 120.64 120.99 1dkq n GLU 9 Ca 0.12 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.13 1dkq n GLU 9 Cb 0.41 -0.76 -0.09 0.00 -0.02 0.00 0.00 31.44 30.99 1dkq n GLU 9 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1dkq s SER 10 N -1.26 -0.60 -0.04 1.62 0.15 -1.19 -4.63 113.70 107.76 1dkq s SER 10 Ca 0.00 1.15 0.02 0.00 0.70 0.00 0.00 55.95 57.81 1dkq s SER 10 Cb 0.00 1.15 0.01 0.00 -1.71 0.00 0.00 66.02 65.48 1dkq s SER 10 CO 0.00 -0.20 -0.06 -0.69 1.20 0.00 0.00 173.24 173.49 1dkq s VAL 11 N 0.39 0.64 -0.11 4.45 1.01 0.28 -0.74 120.40 126.33 1dkq s VAL 11 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1dkq s VAL 11 Cb -0.04 -0.61 0.02 0.00 0.00 0.00 0.00 36.38 35.75 1dkq s VAL 11 CO -0.01 0.23 -0.09 -0.69 0.00 0.00 0.00 175.10 174.54 1dkq s VAL 12 N 0.56 1.10 -0.15 2.92 1.01 0.60 -1.09 120.40 125.36 1dkq s VAL 12 Ca -0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 1dkq s VAL 12 Cb -0.12 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 1dkq s VAL 12 CO 0.01 0.37 -0.12 -0.63 0.00 0.00 0.00 175.10 174.73 1dkq s ILE 13 N 1.49 3.00 -0.37 2.22 1.01 0.95 -0.48 121.20 129.02 1dkq s ILE 13 Ca 0.01 -0.67 -0.06 0.00 0.00 0.00 0.00 60.65 59.94 1dkq s ILE 13 Cb -0.13 -2.28 0.06 0.00 0.01 0.00 0.00 42.46 40.13 1dkq s ILE 13 CO -0.06 0.51 0.15 -0.69 0.00 0.00 0.00 174.94 174.85 1dkq s VAL 14 N 0.63 3.72 0.01 2.92 1.01 -0.53 0.04 120.40 128.20 1dkq s VAL 14 Ca -0.07 -1.40 0.02 0.00 0.00 0.00 0.00 61.98 60.53 1dkq s VAL 14 Cb -0.15 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1dkq s VAL 14 CO 0.03 -0.35 -0.02 -0.55 0.00 0.00 0.00 175.10 174.21 1dkq s SER 15 N 1.66 4.98 0.49 3.32 0.15 0.05 -0.74 113.70 123.60 1dkq s SER 15 Ca 0.01 -0.07 -0.12 0.00 0.70 0.00 0.00 55.95 56.47 1dkq s SER 15 Cb -0.21 -1.25 -0.06 0.00 -1.71 0.00 0.00 66.02 62.79 1dkq s SER 15 CO 0.01 0.26 0.88 -0.60 1.20 0.00 0.00 173.24 175.00 1dkq s ARG 16 N -1.64 3.76 0.97 5.44 3.52 -0.46 0.42 118.95 130.96 1dkq s ARG 16 Ca 0.20 0.63 -0.11 0.00 -0.13 0.00 0.00 55.73 56.31 1dkq s ARG 16 Cb -0.11 -2.26 0.17 0.00 -1.56 0.00 0.00 34.95 31.20 1dkq s ARG 16 CO 0.11 -0.23 1.09 0.00 -0.81 0.00 0.00 175.30 175.46 1dkq s ALA 17 N -2.65 0.98 0.64 6.12 0.00 -0.68 -2.87 121.76 123.31 1dkq s ALA 17 Ca 0.54 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.68 1dkq s ALA 17 Cb -0.10 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1dkq s ALA 17 CO 0.37 -2.89 0.00 0.41 0.00 0.00 0.00 175.76 173.65 1dkq n GLY 18 N -0.09 0.01 3.66 0.00 0.00 -1.26 -1.41 105.19 106.10 1dkq n GLY 18 Ca 0.08 -1.83 -0.47 0.00 0.00 0.00 0.00 46.02 43.80 1dkq n GLY 18 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1dkq n VAL 19 N -1.36 0.06 -4.22 1.61 0.31 -1.26 -4.77 118.33 108.70 1dkq n VAL 19 Ca 0.00 -0.01 -0.13 0.00 -0.01 0.00 0.00 64.34 64.19 1dkq n VAL 19 Cb 0.00 -1.45 -0.10 0.00 -0.91 0.00 0.00 33.84 31.38 1dkq n VAL 19 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dkq s ARG 20 N 1.18 1.19 0.51 5.55 1.70 -1.26 -1.87 118.95 125.96 1dkq s ARG 20 Ca 0.81 -1.62 -0.16 0.00 -0.47 0.00 0.00 55.73 54.29 1dkq s ARG 20 Cb -0.73 0.13 -0.08 0.00 -0.57 0.00 0.00 34.95 33.70 1dkq s ARG 20 CO 0.41 -0.34 0.98 0.00 -1.08 0.00 0.00 175.30 175.27 1dkq s ALA 21 N -4.04 3.07 0.65 7.88 0.00 -0.90 -4.90 121.76 123.53 1dkq s ALA 21 Ca 0.36 0.17 -0.17 0.00 0.00 0.00 0.00 51.96 52.32 1dkq s ALA 21 Cb 0.07 -3.11 -0.06 0.00 0.00 0.00 0.00 23.12 20.02 1dkq s ALA 21 CO 0.10 -0.23 0.56 -0.35 0.00 0.00 0.00 175.76 175.84 1dkq n PRO 22 N -1.57 0.44 0.22 0.00 -0.04 -1.26 -1.91 135.00 130.87 1dkq n PRO 22 Ca 0.06 0.18 0.11 0.00 -0.04 0.00 0.00 63.50 63.82 1dkq n PRO 22 Cb 0.54 -1.80 0.31 0.00 -0.04 0.00 0.00 33.50 32.52 1dkq n PRO 22 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1dkq h THR 23 N -0.04 0.23 -3.94 0.52 1.35 -1.94 -0.21 112.91 108.88 1dkq h THR 23 Ca -0.46 -1.10 -0.11 0.00 -0.55 0.00 0.00 66.41 64.19 1dkq h THR 23 Cb 1.37 1.92 -0.13 0.00 -1.73 0.00 0.00 68.15 69.58 1dkq h THR 23 CO 0.45 0.12 -0.35 -1.59 -0.25 0.00 0.00 175.52 173.90 1dkq s LYS 24 N -3.35 1.15 -0.41 4.72 -2.85 -1.26 -4.51 119.74 113.23 1dkq s LYS 24 Ca 0.04 -1.21 0.04 0.00 -1.00 0.00 0.00 55.97 53.84 1dkq s LYS 24 Cb 0.07 0.37 0.17 0.00 -2.06 0.00 0.00 37.83 36.38 1dkq s LYS 24 CO 0.65 -0.42 0.34 0.00 0.10 0.00 0.00 175.35 176.02 1dkq s ALA 25 N -3.98 1.38 0.68 0.59 0.00 -1.26 -5.08 121.76 114.09 1dkq s ALA 25 Ca 0.19 -2.44 -0.04 0.00 0.00 0.00 0.00 51.96 49.66 1dkq s ALA 25 Cb 0.04 -1.59 0.07 0.00 0.00 0.00 0.00 23.12 21.63 1dkq s ALA 25 CO 0.01 -1.97 0.96 0.95 0.00 0.00 0.00 175.76 175.71 1dkq s THR 26 N 0.07 2.35 0.20 0.00 -4.23 -1.26 -5.00 115.64 107.77 1dkq s THR 26 Ca 0.33 -0.39 0.01 0.00 -1.18 0.00 0.00 61.69 60.46 1dkq s THR 26 Cb 0.04 -2.96 -0.08 0.00 1.34 0.00 0.00 72.50 70.84 1dkq s THR 26 CO -0.20 0.00 1.49 -0.61 -0.54 0.00 0.00 174.62 174.76 1dkq h GLN 27 N -0.47 0.34 -0.47 3.99 5.75 -2.00 -3.09 115.11 119.17 1dkq h GLN 27 Ca -0.43 -0.26 -0.01 0.00 -0.15 0.00 0.00 58.65 57.81 1dkq h GLN 27 Cb 1.30 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.88 1dkq h GLN 27 CO 0.55 0.89 0.27 1.25 -2.65 0.00 0.00 178.83 179.13 1dkq h LEU 28 N 0.24 0.57 -1.96 -2.39 6.46 -1.98 0.56 115.31 116.82 1dkq h LEU 28 Ca -0.02 -0.08 0.08 0.00 -0.12 0.00 0.00 57.88 57.74 1dkq h LEU 28 Cb 1.21 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.98 1dkq h LEU 28 CO 0.11 0.48 0.21 0.24 -0.62 0.00 0.00 178.44 178.86 1dkq h MET 29 N 0.62 0.05 0.09 1.25 2.86 -1.93 -1.58 114.93 116.27 1dkq h MET 29 Ca 0.17 -0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.51 1dkq h MET 29 Cb 0.03 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 1dkq h MET 29 CO -0.03 0.03 -1.52 0.37 1.06 0.00 0.00 176.91 176.82 1dkq h GLN 30 N 0.05 0.18 0.00 1.72 5.75 -1.32 -3.35 115.11 118.14 1dkq h GLN 30 Ca 0.14 -0.31 0.00 0.00 -0.15 0.00 0.00 58.65 58.33 1dkq h GLN 30 Cb 0.49 0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.15 1dkq h GLN 30 CO -0.01 1.01 0.00 -0.44 -2.65 0.00 0.00 178.83 176.74 1dkq h ASP 31 N 0.05 0.00 -0.31 -0.69 3.45 0.08 -2.85 116.42 116.15 1dkq h ASP 31 Ca -0.23 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.23 1dkq h ASP 31 Cb 1.99 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.76 1dkq h ASP 31 CO 0.14 0.00 0.00 1.33 -1.57 0.00 0.00 179.24 179.14 1dkq n VAL 32 N -2.86 0.40 -3.72 -1.35 0.24 -1.01 -1.21 118.33 108.82 1dkq n VAL 32 Ca 0.00 -0.52 -0.13 0.00 -2.04 0.00 0.00 64.34 61.65 1dkq n VAL 32 Cb 0.23 0.49 -0.10 0.00 -1.47 0.00 0.00 33.84 32.99 1dkq n VAL 32 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1dkq s THR 33 N -1.60 -0.01 -0.83 3.34 -1.32 -1.08 -4.19 115.64 109.96 1dkq s THR 33 Ca 0.33 0.02 0.27 0.00 -1.21 0.00 0.00 61.69 61.10 1dkq s THR 33 Cb 0.18 -0.58 0.22 0.00 -1.51 0.00 0.00 72.50 70.81 1dkq s THR 33 CO 0.26 0.01 1.74 -0.81 -2.21 0.00 0.00 174.62 173.60 1dkq n PRO 34 N 3.18 0.16 -2.40 7.08 -0.04 -1.26 -4.74 135.00 136.99 1dkq n PRO 34 Ca -0.16 0.11 -0.27 0.00 -0.04 0.00 0.00 63.50 63.14 1dkq n PRO 34 Cb 0.57 -1.66 0.02 0.00 -0.04 0.00 0.00 33.50 32.38 1dkq n PRO 34 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1dkq s ASP 35 N -3.86 5.86 -0.19 3.54 1.01 -1.26 -5.06 116.67 116.71 1dkq s ASP 35 Ca 0.11 0.87 -0.14 0.00 0.71 0.00 0.00 52.55 54.10 1dkq s ASP 35 Cb 0.15 -1.97 -0.04 0.00 1.01 0.00 0.00 42.92 42.07 1dkq s ASP 35 CO 0.60 -0.90 0.31 0.00 0.21 0.00 0.00 175.17 175.39 1dkq s ALA 36 N -2.95 3.58 0.31 5.23 0.00 -1.26 -5.02 121.76 121.66 1dkq s ALA 36 Ca 0.52 -0.56 -0.29 0.00 0.00 0.00 0.00 51.96 51.63 1dkq s ALA 36 Cb -0.11 -2.47 -0.11 0.00 0.00 0.00 0.00 23.12 20.44 1dkq s ALA 36 CO 0.46 -0.11 1.47 -1.58 0.00 0.00 0.00 175.76 176.00 1dkq s TRP 37 N 0.90 2.82 0.43 0.00 0.52 -1.26 -4.95 118.94 117.39 1dkq s TRP 37 Ca 0.16 1.07 -0.24 0.00 0.02 0.00 0.00 56.10 57.11 1dkq s TRP 37 Cb -0.14 -3.93 -0.08 0.00 -1.15 0.00 0.00 33.47 28.18 1dkq s TRP 37 CO 0.05 -2.88 1.19 -1.25 0.02 0.00 0.00 176.95 174.08 1dkq s PRO 38 N -1.19 3.91 0.39 4.98 0.04 -1.26 -5.02 135.00 136.85 1dkq s PRO 38 Ca 0.56 1.86 -0.14 0.00 0.04 0.00 0.00 61.00 63.32 1dkq s PRO 38 Cb -0.45 -2.57 -0.08 0.00 0.04 0.00 0.00 34.50 31.44 1dkq s PRO 38 CO 0.52 -0.45 0.80 0.95 0.04 0.00 0.00 177.00 178.87 1dkq s THR 39 N -1.45 4.67 0.22 1.26 -4.23 -1.26 -5.09 115.64 109.77 1dkq s THR 39 Ca 0.60 0.92 0.06 0.00 -1.18 0.00 0.00 61.69 62.08 1dkq s THR 39 Cb -0.31 -3.67 -0.04 0.00 1.34 0.00 0.00 72.50 69.83 1dkq s THR 39 CO 0.38 -0.39 0.21 0.26 -0.54 0.00 0.00 174.62 174.55 1dkq s TRP 40 N -2.23 3.20 -1.08 3.99 0.52 -1.26 -5.03 118.94 117.05 1dkq s TRP 40 Ca 0.54 -0.06 0.22 0.00 0.02 0.00 0.00 56.10 56.83 1dkq s TRP 40 Cb -0.10 -1.47 0.98 0.00 -1.15 0.00 0.00 33.47 31.73 1dkq s TRP 40 CO 0.24 0.51 1.72 -0.35 0.02 0.00 0.00 176.95 179.08 1dkq n PRO 41 N -0.97 0.06 -4.41 4.98 -0.04 -1.26 -4.85 135.00 128.52 1dkq n PRO 41 Ca -0.08 0.11 -0.20 0.00 -0.04 0.00 0.00 63.50 63.29 1dkq n PRO 41 Cb 0.57 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.42 1dkq n PRO 41 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1dkq s VAL 42 N -2.92 1.05 0.98 0.52 -7.23 -1.26 -5.07 120.40 106.47 1dkq s VAL 42 Ca 0.13 -2.01 -0.11 0.00 -1.81 0.00 0.00 61.98 58.18 1dkq s VAL 42 Cb 0.15 -2.70 0.18 0.00 0.56 0.00 0.00 36.38 34.57 1dkq s VAL 42 CO 0.39 -0.05 1.12 -0.54 -0.31 0.00 0.00 175.10 175.71 1dkq s LYS 43 N -3.91 0.48 0.31 4.82 1.02 -1.26 -4.88 119.74 116.32 1dkq s LYS 43 Ca 0.36 1.39 -0.29 0.00 0.02 0.00 0.00 55.97 57.44 1dkq s LYS 43 Cb 0.08 -1.68 -0.12 0.00 -0.52 0.00 0.00 37.83 35.59 1dkq s LYS 43 CO 0.14 -2.95 1.49 1.28 -0.92 0.00 0.00 175.35 174.39 1dkq n LEU 44 N -4.44 4.12 0.00 3.17 4.77 -1.26 -2.09 117.00 121.27 1dkq n LEU 44 Ca 0.10 1.18 0.00 0.00 -0.03 0.00 0.00 56.01 57.25 1dkq n LEU 44 Cb 0.52 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 1dkq n LEU 44 CO 0.51 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1dkq n GLY 45 N 1.53 0.55 3.88 -0.72 0.00 -0.09 -4.88 105.19 105.46 1dkq n GLY 45 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1dkq n GLY 45 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1dkq s TRP 46 N -2.59 3.44 0.22 1.61 0.52 -0.89 -4.39 118.94 116.87 1dkq s TRP 46 Ca 0.00 0.76 -0.30 0.00 0.02 0.00 0.00 56.10 56.58 1dkq s TRP 46 Cb 0.00 -2.17 -0.09 0.00 -1.15 0.00 0.00 33.47 30.06 1dkq s TRP 46 CO 0.00 0.30 1.29 -1.17 0.02 0.00 0.00 176.95 177.39 1dkq s LEU 47 N -2.86 4.43 0.36 2.99 2.96 -1.26 -2.11 118.68 123.19 1dkq s LEU 47 Ca 0.45 2.43 -0.11 0.00 -0.22 0.00 0.00 54.13 56.68 1dkq s LEU 47 Cb -0.11 -3.62 -0.07 0.00 0.50 0.00 0.00 46.19 42.89 1dkq s LEU 47 CO 0.23 -0.49 0.72 0.42 -1.32 0.00 0.00 176.35 175.91 1dkq s THR 48 N -0.19 4.80 0.36 3.68 -4.23 -0.78 -4.93 115.64 114.35 1dkq s THR 48 Ca 0.54 0.62 0.09 0.00 -1.18 0.00 0.00 61.69 61.76 1dkq s THR 48 Cb -0.36 -3.69 0.32 0.00 1.34 0.00 0.00 72.50 70.10 1dkq s THR 48 CO 0.41 -0.39 1.90 1.55 -0.54 0.00 0.00 174.62 177.55 1dkq h PRO 49 N 1.63 0.67 -0.71 3.99 0.13 -1.95 0.19 132.00 135.95 1dkq h PRO 49 Ca -0.47 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 64.56 1dkq h PRO 49 Cb 1.18 -0.15 -0.03 0.00 0.13 0.00 0.00 31.00 32.13 1dkq h PRO 49 CO 0.65 0.44 0.22 -0.09 -0.23 0.00 0.00 178.00 178.99 1dkq h ARG 50 N 0.69 1.11 -0.96 0.86 2.43 -1.92 -1.38 114.38 115.20 1dkq h ARG 50 Ca 0.40 -0.23 0.02 0.00 -0.81 0.00 0.00 59.98 59.36 1dkq h ARG 50 Cb 0.60 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.94 1dkq h ARG 50 CO -0.17 0.95 0.63 0.78 -1.51 0.00 0.00 179.97 180.65 1dkq h GLY 51 N 1.10 1.37 1.43 2.80 0.00 -0.86 -0.82 103.07 108.09 1dkq h GLY 51 Ca 0.23 -0.49 -0.11 0.00 0.00 0.00 0.00 47.33 46.96 1dkq h GLY 51 CO -0.01 0.45 -0.28 -1.33 0.00 0.00 0.00 176.54 175.38 1dkq h GLY 52 N 1.25 0.70 0.94 4.60 0.00 -0.60 -1.92 103.07 108.05 1dkq h GLY 52 Ca 0.37 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 1dkq h GLY 52 CO -0.10 0.56 0.15 0.83 0.00 0.00 0.00 176.54 177.98 1dkq h GLU 53 N 0.56 0.63 -0.62 4.80 5.08 -0.45 0.39 114.58 124.98 1dkq h GLU 53 Ca 0.07 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1dkq h GLU 53 Cb 0.76 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 1dkq h GLU 53 CO 0.06 0.61 0.32 -0.07 -1.00 0.00 0.00 179.01 178.93 1dkq h LEU 54 N 0.53 0.76 -0.31 1.33 3.38 -0.98 -0.39 115.31 119.63 1dkq h LEU 54 Ca 0.14 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 1dkq h LEU 54 Cb 0.22 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1dkq h LEU 54 CO -0.01 0.63 -0.28 0.40 0.09 0.00 0.00 178.44 179.27 1dkq h ILE 55 N 0.86 1.30 -0.55 1.22 1.08 -1.01 -2.92 117.51 117.49 1dkq h ILE 55 Ca 0.22 -1.45 0.03 0.00 -0.39 0.00 0.00 64.86 63.27 1dkq h ILE 55 Cb 0.05 1.54 -0.03 0.00 -3.07 0.00 0.00 36.82 35.30 1dkq h ILE 55 CO -0.03 0.47 0.37 0.00 -0.69 0.00 0.00 178.15 178.26 1dkq h ALA 56 N 0.72 1.70 -0.60 1.87 0.00 -0.25 0.20 119.26 122.90 1dkq h ALA 56 Ca 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1dkq h ALA 56 Cb 0.85 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1dkq h ALA 56 CO 0.07 0.24 0.30 1.88 0.00 0.00 0.00 179.25 181.74 1dkq h TYR 57 N 0.66 0.85 -0.64 0.00 0.05 -0.92 0.38 116.97 117.35 1dkq h TYR 57 Ca 0.22 -0.04 -0.08 0.00 0.05 0.00 0.00 58.73 58.88 1dkq h TYR 57 Cb 0.06 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 37.51 1dkq h TYR 57 CO -0.00 0.64 0.08 -0.07 -1.05 0.00 0.00 178.16 177.76 1dkq h LEU 58 N 0.81 1.03 -0.88 3.88 3.38 -1.09 0.16 115.31 122.62 1dkq h LEU 58 Ca 0.21 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1dkq h LEU 58 Cb 0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1dkq h LEU 58 CO -0.03 1.04 0.18 1.23 0.09 0.00 0.00 178.44 180.95 1dkq h GLY 59 N 1.03 1.08 1.00 0.83 0.00 -0.34 0.14 103.07 106.82 1dkq h GLY 59 Ca 0.19 -0.64 -0.08 0.00 0.00 0.00 0.00 47.33 46.80 1dkq h GLY 59 CO 0.02 0.60 -0.03 0.84 0.00 0.00 0.00 176.54 177.97 1dkq h HIS 60 N 0.97 0.93 -0.08 5.60 -0.00 0.35 -1.79 115.15 121.13 1dkq h HIS 60 Ca 0.21 -0.17 -0.00 0.00 -0.00 0.00 0.00 60.37 60.41 1dkq h HIS 60 Cb 0.31 -0.24 -0.00 0.00 -0.00 0.00 0.00 27.41 27.48 1dkq h HIS 60 CO 0.02 0.90 0.04 -0.92 -0.00 0.00 0.00 177.93 177.97 1dkq h TYR 61 N 0.70 0.11 -0.46 5.26 3.20 -0.28 -2.72 116.97 122.78 1dkq h TYR 61 Ca 0.13 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.01 1dkq h TYR 61 Cb 0.54 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 1dkq h TYR 61 CO 0.04 0.17 0.31 1.96 -1.64 0.00 0.00 178.16 178.99 1dkq h GLN 62 N 0.03 0.59 -0.57 1.82 1.08 -0.64 -0.58 115.11 116.83 1dkq h GLN 62 Ca 0.03 -0.04 -0.05 0.00 -1.45 0.00 0.00 58.65 57.14 1dkq h GLN 62 Cb 0.09 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 1dkq h GLN 62 CO -0.00 0.39 0.16 -0.09 -0.95 0.00 0.00 178.83 178.34 1dkq h ARG 63 N 0.61 0.90 -0.46 1.46 9.65 -1.12 -0.36 114.38 125.05 1dkq h ARG 63 Ca 0.17 -0.20 -0.08 0.00 -1.10 0.00 0.00 59.98 58.77 1dkq h ARG 63 Cb -0.04 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.40 1dkq h ARG 63 CO -0.04 0.82 -0.02 1.96 2.80 0.00 0.00 179.97 185.49 1dkq h GLN 64 N 0.81 0.83 0.37 0.20 4.20 -1.05 -1.86 115.11 118.61 1dkq h GLN 64 Ca 0.18 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 1dkq h GLN 64 Cb 0.31 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1dkq h GLN 64 CO -0.00 0.89 -0.18 -0.09 -0.67 0.00 0.00 178.83 178.78 1dkq h ARG 65 N 0.67 -0.48 -0.33 1.46 2.43 -0.92 -1.12 114.38 116.09 1dkq h ARG 65 Ca 0.13 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 1dkq h ARG 65 Cb 0.53 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 1dkq h ARG 65 CO 0.03 -0.28 0.05 -0.07 -1.51 0.00 0.00 179.97 178.19 1dkq h LEU 66 N -0.57 0.45 -0.08 3.80 4.07 -1.09 -1.77 115.31 120.12 1dkq h LEU 66 Ca -0.05 -0.07 -0.00 0.00 0.08 0.00 0.00 57.88 57.84 1dkq h LEU 66 Cb 0.43 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 42.05 1dkq h LEU 66 CO 0.08 0.48 0.03 0.58 -1.08 0.00 0.00 178.44 178.54 1dkq h VAL 67 N 0.48 1.14 -0.43 1.22 2.07 -1.19 0.12 116.25 119.66 1dkq h VAL 67 Ca 0.11 -0.41 0.09 0.00 0.82 0.00 0.00 66.70 67.31 1dkq h VAL 67 Cb 0.23 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1dkq h VAL 67 CO 0.00 0.12 0.30 0.00 0.02 0.00 0.00 177.57 178.01 1dkq h ALA 68 N 0.88 2.18 -0.18 1.67 0.00 -0.60 0.41 119.26 123.61 1dkq h ALA 68 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1dkq h ALA 68 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1dkq h ALA 68 CO -0.00 -0.28 0.00 -0.25 0.00 0.00 0.00 179.25 178.71 1dkq n ASP 69 N -4.45 1.93 -1.35 0.00 8.00 -0.72 -4.94 116.55 115.02 1dkq n ASP 69 Ca 0.07 -1.74 -0.14 0.00 0.71 0.00 0.00 54.79 53.68 1dkq n ASP 69 Cb 0.38 -0.11 -0.04 0.00 -0.02 0.00 0.00 41.12 41.33 1dkq n ASP 69 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dkq n GLY 70 N 1.19 0.67 0.09 0.44 0.00 0.14 -4.53 105.19 103.19 1dkq n GLY 70 Ca 0.17 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 1dkq n GLY 70 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1dkq h LEU 71 N 0.00 0.06 -9.01 0.99 5.85 -1.02 -3.47 115.31 108.71 1dkq h LEU 71 Ca -0.31 -0.13 -0.63 0.00 0.84 0.00 0.00 57.88 57.65 1dkq h LEU 71 Cb 1.08 -0.02 -0.18 0.00 0.37 0.00 0.00 40.66 41.91 1dkq h LEU 71 CO 0.42 1.12 -0.81 -0.76 -0.34 0.00 0.00 178.44 178.06 1dkq s LEU 72 N -6.29 2.45 0.32 2.25 1.02 -1.20 -5.00 118.68 112.23 1dkq s LEU 72 Ca -0.06 -0.88 -0.22 0.00 0.02 0.00 0.00 54.13 52.98 1dkq s LEU 72 Cb 0.08 -1.10 -0.10 0.00 0.02 0.00 0.00 46.19 45.10 1dkq s LEU 72 CO 0.82 0.08 0.86 0.00 0.02 0.00 0.00 176.35 178.14 1dkq s ALA 73 N -1.83 3.24 0.36 4.21 0.00 -1.26 -4.23 121.76 122.25 1dkq s ALA 73 Ca 0.21 0.35 0.19 0.00 0.00 0.00 0.00 51.96 52.71 1dkq s ALA 73 Cb -0.07 -3.03 1.01 0.00 0.00 0.00 0.00 23.12 21.02 1dkq s ALA 73 CO 0.10 0.22 1.92 -0.22 0.00 0.00 0.00 175.76 177.78 1dkq h LYS 74 N 2.87 0.00 -6.45 0.00 3.64 -1.95 -3.45 116.57 111.24 1dkq h LYS 74 Ca -0.48 0.00 -0.64 0.00 -1.27 0.00 0.00 60.65 58.27 1dkq h LYS 74 Cb 1.19 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 32.84 1dkq h LYS 74 CO 0.64 0.25 -0.80 0.15 -2.27 0.00 0.00 179.45 177.43 1dkq s LYS 75 N -4.17 1.58 0.13 1.90 3.01 -1.26 -5.08 119.74 115.85 1dkq s LYS 75 Ca -0.02 -1.62 0.00 0.00 -1.01 0.00 0.00 55.97 53.32 1dkq s LYS 75 Cb 0.14 -1.81 0.00 0.00 -1.01 0.00 0.00 37.83 35.15 1dkq s LYS 75 CO 0.67 0.37 0.00 0.41 0.51 0.00 0.00 175.35 177.31 1dkq n GLY 76 N -0.08 -1.79 3.78 -3.33 0.00 -1.26 -4.87 105.19 97.63 1dkq n GLY 76 Ca -0.10 -1.39 -0.37 0.00 0.00 0.00 0.00 46.02 44.16 1dkq n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dkq s PRO 78 N -1.99 1.93 0.83 0.00 0.04 -1.26 -4.93 135.00 129.61 1dkq s PRO 78 Ca 0.50 1.77 -0.14 0.00 0.04 0.00 0.00 61.00 63.17 1dkq s PRO 78 Cb -0.19 -1.81 0.06 0.00 0.04 0.00 0.00 34.50 32.60 1dkq s PRO 78 CO 0.25 -2.00 0.93 1.04 0.04 0.00 0.00 177.00 177.26 1dkq n GLN 79 N -2.96 0.07 -1.68 4.56 6.02 -1.26 -4.82 117.38 117.32 1dkq n GLN 79 Ca 0.13 0.09 -0.46 0.00 -0.01 0.00 0.00 57.00 56.76 1dkq n GLN 79 Cb 0.50 -2.21 -0.04 0.00 1.02 0.00 0.00 30.24 29.51 1dkq n GLN 79 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1dkq n SER 80 N -2.43 3.38 0.00 1.08 2.88 -1.26 -1.20 113.62 116.08 1dkq n SER 80 Ca 0.12 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 1dkq n SER 80 Cb 0.51 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 1dkq n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1dkq n GLY 81 N 3.86 2.87 0.37 0.46 0.00 -1.26 -4.85 105.19 106.63 1dkq n GLY 81 Ca 0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.27 1dkq n GLY 81 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1dkq h GLN 82 N 1.87 0.92 -5.05 1.61 4.15 -1.48 -3.37 115.11 113.76 1dkq h GLN 82 Ca 0.00 -0.06 -0.67 0.00 0.77 0.00 0.00 58.65 58.70 1dkq h GLN 82 Cb 0.00 -0.21 -0.32 0.00 0.21 0.00 0.00 27.48 27.16 1dkq h GLN 82 CO 0.00 0.61 -0.81 0.08 -1.93 0.00 0.00 178.83 176.78 1dkq s VAL 83 N -5.87 2.51 -0.06 2.39 1.01 -1.26 -1.84 120.40 117.27 1dkq s VAL 83 Ca -0.11 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.11 1dkq s VAL 83 Cb 0.21 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 1dkq s VAL 83 CO 0.80 0.50 -0.14 0.00 0.00 0.00 0.00 175.10 176.27 1dkq s ALA 84 N 1.32 2.68 -0.09 5.51 0.00 0.27 -4.92 121.76 126.53 1dkq s ALA 84 Ca 0.05 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.06 1dkq s ALA 84 Cb -0.14 -1.01 0.02 0.00 0.00 0.00 0.00 23.12 21.99 1dkq s ALA 84 CO -0.09 0.52 -0.11 0.42 0.00 0.00 0.00 175.76 176.50 1dkq s ILE 85 N -0.61 1.14 -0.03 0.00 1.01 -1.26 -0.92 121.20 120.52 1dkq s ILE 85 Ca 0.09 -0.43 0.06 0.00 0.00 0.00 0.00 60.65 60.37 1dkq s ILE 85 Cb -0.11 -1.08 -0.01 0.00 0.01 0.00 0.00 42.46 41.27 1dkq s ILE 85 CO 0.01 0.37 -0.20 -0.63 0.00 0.00 0.00 174.94 174.49 1dkq s ILE 86 N 1.08 1.63 0.06 2.92 1.01 -0.05 -0.74 121.20 127.11 1dkq s ILE 86 Ca -0.07 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.73 1dkq s ILE 86 Cb -0.14 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 1dkq s ILE 86 CO -0.01 0.46 -0.05 0.00 0.00 0.00 0.00 174.94 175.34 1dkq s ALA 87 N -0.35 0.59 0.86 9.38 0.00 0.08 -0.39 121.76 131.93 1dkq s ALA 87 Ca 0.05 -1.02 -0.11 0.00 0.00 0.00 0.00 51.96 50.87 1dkq s ALA 87 Cb -0.09 0.16 0.11 0.00 0.00 0.00 0.00 23.12 23.30 1dkq s ALA 87 CO 0.00 -0.20 1.09 0.34 0.00 0.00 0.00 175.76 176.99 1dkq s ASP 88 N -2.35 3.71 0.19 0.00 2.15 -0.94 -4.37 116.67 115.07 1dkq s ASP 88 Ca -0.00 1.66 0.19 0.00 0.43 0.00 0.00 52.55 54.83 1dkq s ASP 88 Cb -0.01 -2.33 0.85 0.00 -0.30 0.00 0.00 42.92 41.14 1dkq s ASP 88 CO -0.04 -2.51 1.59 1.33 -0.17 0.00 0.00 175.17 175.37 1dkq n VAL 89 N -3.82 0.99 -1.32 1.11 0.24 -1.26 -4.03 118.33 110.24 1dkq n VAL 89 Ca 0.08 0.34 -0.35 0.00 -2.04 0.00 0.00 64.34 62.37 1dkq n VAL 89 Cb 0.54 -1.24 0.11 0.00 -1.47 0.00 0.00 33.84 31.78 1dkq n VAL 89 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1dkq s ASP 90 N -3.83 3.92 0.13 -1.34 1.01 -1.26 -4.83 116.67 110.48 1dkq s ASP 90 Ca 0.03 2.45 -0.17 0.00 0.71 0.00 0.00 52.55 55.57 1dkq s ASP 90 Cb 0.08 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.39 1dkq s ASP 90 CO 0.30 -2.45 1.73 -0.08 0.21 0.00 0.00 175.17 174.89 1dkq h GLU 91 N -0.43 0.46 -0.19 8.23 4.22 -1.90 -1.68 114.58 123.29 1dkq h GLU 91 Ca -0.48 -0.05 -0.06 0.00 0.08 0.00 0.00 59.36 58.85 1dkq h GLU 91 Cb 1.31 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1dkq h GLU 91 CO 0.48 0.39 -0.14 0.07 -2.18 0.00 0.00 179.01 177.64 1dkq h ARG 92 N 0.41 0.31 0.12 1.92 0.11 -1.92 -1.03 114.38 114.30 1dkq h ARG 92 Ca 0.12 -0.08 -0.30 0.00 0.10 0.00 0.00 59.98 59.82 1dkq h ARG 92 Cb 0.06 -0.04 0.03 0.00 1.11 0.00 0.00 29.97 31.13 1dkq h ARG 92 CO -0.02 0.45 -1.24 1.79 0.10 0.00 0.00 179.97 181.06 1dkq h THR 93 N 0.29 1.31 -0.32 0.08 1.35 -1.81 -1.93 112.91 111.88 1dkq h THR 93 Ca 0.06 -2.51 -0.00 0.00 -0.55 0.00 0.00 66.41 63.40 1dkq h THR 93 Cb 0.42 2.71 -0.02 0.00 -1.73 0.00 0.00 68.15 69.53 1dkq h THR 93 CO 0.02 0.76 0.19 -0.09 -0.25 0.00 0.00 175.52 176.16 1dkq h ARG 94 N 0.26 0.43 0.00 4.72 2.43 -1.16 -1.29 114.38 119.77 1dkq h ARG 94 Ca -0.18 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 58.91 1dkq h ARG 94 Cb 1.91 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 31.37 1dkq h ARG 94 CO 0.23 0.34 -0.20 0.87 -1.51 0.00 0.00 179.97 179.70 1dkq h LYS 95 N 0.41 0.00 -0.18 0.20 1.79 -1.23 -1.93 116.57 115.62 1dkq h LYS 95 Ca 0.11 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.37 1dkq h LYS 95 Cb 0.02 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.67 1dkq h LYS 95 CO -0.02 0.20 -0.72 1.15 -1.08 0.00 0.00 179.45 178.98 1dkq h THR 96 N 0.00 1.28 -0.54 -0.16 2.02 -0.78 -0.85 112.91 113.88 1dkq h THR 96 Ca -0.00 -1.93 -0.06 0.00 0.77 0.00 0.00 66.41 65.19 1dkq h THR 96 Cb 0.51 1.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.80 1dkq h THR 96 CO 0.03 0.61 0.10 1.23 0.37 0.00 0.00 175.52 177.86 1dkq h GLY 97 N 0.64 0.92 0.71 2.16 0.00 -0.70 -0.70 103.07 106.10 1dkq h GLY 97 Ca -0.04 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.69 1dkq h GLY 97 CO 0.15 0.51 -0.12 0.83 0.00 0.00 0.00 176.54 177.91 1dkq h GLU 98 N 0.81 0.31 -0.12 4.80 5.08 -1.28 -2.12 114.58 122.06 1dkq h GLU 98 Ca 0.17 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1dkq h GLU 98 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1dkq h GLU 98 CO 0.00 0.70 -0.02 0.00 -1.00 0.00 0.00 179.01 178.69 1dkq h ALA 99 N 0.60 1.74 -0.14 3.43 0.00 -0.98 -0.30 119.26 123.61 1dkq h ALA 99 Ca 0.02 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.63 1dkq h ALA 99 Cb 0.64 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1dkq h ALA 99 CO 0.03 0.20 -0.70 0.35 0.00 0.00 0.00 179.25 179.13 1dkq h PHE 100 N 0.17 0.98 -0.58 0.00 3.04 -1.03 -2.04 116.94 117.48 1dkq h PHE 100 Ca 0.04 -0.43 -0.09 0.00 3.98 0.00 0.00 57.97 61.47 1dkq h PHE 100 Cb 0.16 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.49 1dkq h PHE 100 CO 0.00 1.25 -0.00 0.00 -2.02 0.00 0.00 178.31 177.54 1dkq h ALA 101 N 0.53 0.89 -0.29 2.41 0.00 -0.98 0.51 119.26 122.33 1dkq h ALA 101 Ca -0.05 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1dkq h ALA 101 Cb 1.33 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1dkq h ALA 101 CO 0.14 0.65 0.17 0.00 0.00 0.00 0.00 179.25 180.21 1dkq h ALA 102 N 1.06 0.36 -0.14 0.00 0.00 -1.03 0.30 119.26 119.80 1dkq h ALA 102 Ca 0.17 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 1dkq h ALA 102 Cb 0.54 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1dkq h ALA 102 CO 0.03 -0.21 -0.60 0.78 0.00 0.00 0.00 179.25 179.25 1dkq h GLY 103 N 0.34 0.52 0.67 0.00 0.00 -1.20 -2.65 103.07 100.75 1dkq h GLY 103 Ca 0.12 -0.63 -0.07 0.00 0.00 0.00 0.00 47.33 46.75 1dkq h GLY 103 CO -0.06 0.57 -0.20 -2.00 0.00 0.00 0.00 176.54 174.85 1dkq h LEU 104 N 0.35 0.34 -6.30 3.11 5.85 -0.52 -2.93 115.31 115.21 1dkq h LEU 104 Ca -0.00 -0.57 -0.51 0.00 0.84 0.00 0.00 57.88 57.64 1dkq h LEU 104 Cb 1.14 -0.10 -0.35 0.00 0.37 0.00 0.00 40.66 41.72 1dkq h LEU 104 CO 0.11 0.84 -0.85 0.00 -0.34 0.00 0.00 178.44 178.20 1dkq s ALA 105 N -3.96 0.63 0.24 1.25 0.00 0.10 -4.77 121.76 115.25 1dkq s ALA 105 Ca -0.14 -1.84 -0.29 0.00 0.00 0.00 0.00 51.96 49.68 1dkq s ALA 105 Cb 0.04 -1.78 -0.15 0.00 0.00 0.00 0.00 23.12 21.23 1dkq s ALA 105 CO 0.75 -2.07 0.85 -2.30 0.00 0.00 0.00 175.76 172.99 1dkq n PRO 106 N 3.44 0.79 -4.44 0.00 -0.02 -1.00 -2.04 135.00 131.73 1dkq n PRO 106 Ca 0.21 0.28 -0.41 0.00 -2.02 0.00 0.00 63.50 61.56 1dkq n PRO 106 Cb 0.45 -1.53 -0.07 0.00 -0.02 0.00 0.00 33.50 32.33 1dkq n PRO 106 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1dkq n ASP 107 N 1.60 -1.89 -0.07 2.55 9.92 -1.26 -4.81 116.55 122.60 1dkq n ASP 107 Ca 0.14 -1.16 0.07 0.00 -0.53 0.00 0.00 54.79 53.31 1dkq n ASP 107 Cb 0.28 -1.64 -0.07 0.00 -0.64 0.00 0.00 41.12 39.05 1dkq n ASP 107 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1dkq n ALA 109 N -1.14 -3.35 -4.01 0.00 0.00 -1.26 -5.00 120.51 105.75 1dkq n ALA 109 Ca 0.04 0.54 -0.33 0.00 0.00 0.00 0.00 53.44 53.68 1dkq n ALA 109 Cb 0.26 -1.13 -0.16 0.00 0.00 0.00 0.00 19.45 18.42 1dkq n ALA 109 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1dkq s ILE 110 N -1.52 2.19 0.42 0.00 1.01 -1.26 -5.10 121.20 116.94 1dkq s ILE 110 Ca -0.01 -0.90 -0.26 0.00 0.00 0.00 0.00 60.65 59.47 1dkq s ILE 110 Cb 0.00 -1.92 -0.09 0.00 0.01 0.00 0.00 42.46 40.46 1dkq s ILE 110 CO 0.71 0.53 1.38 -0.89 0.00 0.00 0.00 174.94 176.67 1dkq s THR 111 N 1.25 2.30 -0.42 2.92 2.01 -1.26 -4.97 115.64 117.47 1dkq s THR 111 Ca 0.04 0.27 -0.06 0.00 0.31 0.00 0.00 61.69 62.25 1dkq s THR 111 Cb -0.13 -3.16 0.10 0.00 0.01 0.00 0.00 72.50 69.32 1dkq s THR 111 CO -0.11 0.04 0.24 -0.69 -0.69 0.00 0.00 174.62 173.41 1dkq s VAL 112 N -1.21 3.70 0.22 3.82 1.01 -1.26 -4.07 120.40 122.61 1dkq s VAL 112 Ca 0.58 -1.79 -0.28 0.00 0.00 0.00 0.00 61.98 60.49 1dkq s VAL 112 Cb -0.42 -3.42 -0.09 0.00 0.00 0.00 0.00 36.38 32.46 1dkq s VAL 112 CO 0.54 -0.63 0.88 -1.00 0.00 0.00 0.00 175.10 174.90 1dkq s HIS 113 N 1.27 3.95 0.26 5.22 3.76 0.08 -4.88 115.29 124.95 1dkq s HIS 113 Ca 0.05 1.81 0.03 0.00 -0.15 0.00 0.00 55.06 56.80 1dkq s HIS 113 Cb -0.23 -2.90 -0.03 0.00 1.11 0.00 0.00 32.58 30.52 1dkq s HIS 113 CO -0.02 0.47 0.21 0.95 -0.85 0.00 0.00 174.74 175.50 1dkq s THR 114 N -1.19 0.00 0.51 1.30 -4.23 -1.26 -0.74 115.64 110.02 1dkq s THR 114 Ca 0.40 -1.99 -0.23 0.00 -1.18 0.00 0.00 61.69 58.69 1dkq s THR 114 Cb -0.25 -2.50 -0.06 0.00 1.34 0.00 0.00 72.50 71.03 1dkq s THR 114 CO 0.30 0.00 1.35 -1.58 -0.54 0.00 0.00 174.62 174.15 1dkq s GLN 115 N -3.82 3.37 0.14 3.99 0.74 -1.26 -4.90 119.66 117.93 1dkq s GLN 115 Ca 0.40 2.23 -0.14 0.00 0.05 0.00 0.00 55.36 57.89 1dkq s GLN 115 Cb 0.05 -2.39 0.02 0.00 1.10 0.00 0.00 33.01 31.78 1dkq s GLN 115 CO 0.19 -1.00 1.68 1.15 -0.55 0.00 0.00 175.29 176.76 1dkq h THR 116 N 1.75 1.21 -2.78 -0.34 2.02 -1.99 -3.36 112.91 109.41 1dkq h THR 116 Ca -0.51 -0.69 -0.56 0.00 0.77 0.00 0.00 66.41 65.42 1dkq h THR 116 Cb 1.28 0.80 -0.09 0.00 -1.74 0.00 0.00 68.15 68.40 1dkq h THR 116 CO 0.59 0.25 0.90 -0.62 0.37 0.00 0.00 175.52 177.01 1dkq s ASP 117 N -5.97 6.28 0.18 4.18 2.15 -1.26 -4.85 116.67 117.39 1dkq s ASP 117 Ca -0.13 -0.32 0.26 0.00 0.43 0.00 0.00 52.55 52.79 1dkq s ASP 117 Cb 0.11 -2.52 0.70 0.00 -0.30 0.00 0.00 42.92 40.90 1dkq s ASP 117 CO 0.77 -1.59 1.66 0.41 -0.17 0.00 0.00 175.17 176.25 1dkq n THR 118 N 6.40 0.52 1.60 1.71 -1.04 -1.26 -3.27 114.28 118.94 1dkq n THR 118 Ca 0.04 -0.28 0.14 0.00 -2.04 0.00 0.00 64.05 61.92 1dkq n THR 118 Cb 0.48 -0.46 0.62 0.00 -1.82 0.00 0.00 70.33 69.15 1dkq n THR 118 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1dkq n SER 119 N -2.21 1.07 -4.36 8.00 3.41 -1.26 -4.84 113.62 113.43 1dkq n SER 119 Ca 0.05 -1.30 -0.26 0.00 -0.26 0.00 0.00 58.87 57.10 1dkq n SER 119 Cb 0.43 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.26 1dkq n SER 119 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1dkq s SER 120 N -2.05 3.03 0.55 4.04 0.15 -1.20 -5.12 113.70 113.09 1dkq s SER 120 Ca 0.39 -0.76 -0.19 0.00 0.70 0.00 0.00 55.95 56.09 1dkq s SER 120 Cb 0.21 -0.19 -0.06 0.00 -1.71 0.00 0.00 66.02 64.27 1dkq s SER 120 CO 0.36 0.11 1.14 -2.16 1.20 0.00 0.00 173.24 173.89 1dkq s PRO 121 N -2.18 3.33 -0.34 5.44 0.04 -1.26 -4.88 135.00 135.15 1dkq s PRO 121 Ca 0.13 1.64 -0.16 0.00 0.04 0.00 0.00 61.00 62.64 1dkq s PRO 121 Cb -0.09 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 1dkq s PRO 121 CO 0.06 -0.87 0.41 0.34 0.04 0.00 0.00 177.00 176.98 1dkq s ASP 122 N -1.74 6.23 0.66 6.66 3.68 -1.26 -4.96 116.67 125.93 1dkq s ASP 122 Ca 0.73 -0.13 0.41 0.00 2.13 0.00 0.00 52.55 55.70 1dkq s ASP 122 Cb -0.25 -2.22 2.25 0.00 -1.45 0.00 0.00 42.92 41.25 1dkq s ASP 122 CO 0.28 -0.37 2.27 1.55 0.13 0.00 0.00 175.17 179.02 1dkq h PRO 123 N 8.44 0.00 -0.89 4.34 0.13 -1.95 -2.06 132.00 140.00 1dkq h PRO 123 Ca -0.29 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.94 1dkq h PRO 123 Cb 1.14 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.20 1dkq h PRO 123 CO 0.71 0.00 0.58 1.25 -0.23 0.00 0.00 178.00 180.31 1dkq h LEU 124 N 0.00 0.80 -0.51 1.56 5.85 -1.96 -1.89 115.31 119.16 1dkq h LEU 124 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1dkq h LEU 124 Cb 0.13 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1dkq h LEU 124 CO 0.00 0.47 -0.18 0.49 -0.34 0.00 0.00 178.44 178.88 1dkq n PHE 125 N -4.53 0.00 0.00 1.25 3.01 -0.78 -4.09 117.46 112.33 1dkq n PHE 125 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.61 1dkq n PHE 125 Cb 0.31 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.67 1dkq n PHE 125 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1dkq n ASN 126 N -0.58 0.00 0.03 4.37 2.85 -0.75 -4.87 115.26 116.30 1dkq n ASN 126 Ca 0.14 0.00 0.10 0.00 -0.11 0.00 0.00 54.58 54.71 1dkq n ASN 126 Cb 0.33 0.00 0.44 0.00 1.24 0.00 0.00 39.78 41.79 1dkq n ASN 126 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1dkq n PRO 127 N 0.00 0.06 0.06 1.20 -0.04 -0.94 -3.17 135.00 132.16 1dkq n PRO 127 Ca 0.00 0.20 -0.21 0.00 -0.04 0.00 0.00 63.50 63.45 1dkq n PRO 127 Cb 0.00 -1.59 -0.14 0.00 -0.04 0.00 0.00 33.50 31.74 1dkq n PRO 127 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1dkq h LEU 128 N 0.00 0.63 -1.11 1.53 3.38 -1.85 0.24 115.31 118.14 1dkq h LEU 128 Ca 0.00 -0.88 -0.04 0.00 0.09 0.00 0.00 57.88 57.06 1dkq h LEU 128 Cb 0.39 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1dkq h LEU 128 CO 0.00 1.45 0.20 0.50 0.09 0.00 0.00 178.44 180.68 1dkq h LYS 129 N -0.09 0.83 -0.01 1.13 3.64 -1.65 -2.64 116.57 117.77 1dkq h LYS 129 Ca -0.15 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1dkq h LYS 129 Cb 1.70 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.38 1dkq h LYS 129 CO 0.18 0.70 -0.10 0.25 -2.27 0.00 0.00 179.45 178.22 1dkq n THR 130 N -4.31 0.00 -0.90 1.00 -2.24 -1.24 -4.95 114.28 101.64 1dkq n THR 130 Ca 0.05 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1dkq n THR 130 Cb 0.18 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 1dkq n THR 130 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dkq n GLY 131 N 1.25 0.48 0.26 3.38 0.00 -1.00 -4.93 105.19 104.64 1dkq n GLY 131 Ca 0.16 -0.61 -0.06 0.00 0.00 0.00 0.00 46.02 45.51 1dkq n GLY 131 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1dkq h VAL 132 N 0.00 1.18 -4.36 1.61 2.07 -1.21 -3.45 116.25 112.09 1dkq h VAL 132 Ca 0.00 -0.39 -0.23 0.00 0.82 0.00 0.00 66.70 66.90 1dkq h VAL 132 Cb 0.00 0.28 -0.13 0.00 -1.52 0.00 0.00 31.29 29.93 1dkq h VAL 132 CO 0.00 0.18 -0.44 0.00 0.02 0.00 0.00 177.57 177.34 1dkq s GLN 134 N -3.91 1.16 0.30 0.00 -0.21 -1.26 -4.44 119.66 111.31 1dkq s GLN 134 Ca 0.34 -1.35 -0.12 0.00 0.02 0.00 0.00 55.36 54.26 1dkq s GLN 134 Cb 0.04 -1.11 -0.08 0.00 1.00 0.00 0.00 33.01 32.86 1dkq s GLN 134 CO 0.14 0.22 0.66 -0.51 -2.12 0.00 0.00 175.29 173.67 1dkq s LEU 135 N -2.64 4.07 -0.60 2.90 1.43 0.78 -5.01 118.68 119.61 1dkq s LEU 135 Ca 0.13 1.08 -0.23 0.00 -1.03 0.00 0.00 54.13 54.08 1dkq s LEU 135 Cb -0.05 -3.88 0.06 0.00 0.03 0.00 0.00 46.19 42.35 1dkq s LEU 135 CO 0.05 -0.18 0.92 -0.62 0.23 0.00 0.00 176.35 176.75 1dkq s ASP 136 N -2.50 6.25 0.13 2.29 3.68 -1.26 -4.52 116.67 120.75 1dkq s ASP 136 Ca 0.50 -0.68 -0.31 0.00 2.13 0.00 0.00 52.55 54.19 1dkq s ASP 136 Cb -0.11 -2.42 -0.07 0.00 -1.45 0.00 0.00 42.92 38.88 1dkq s ASP 136 CO 0.22 -1.29 1.56 -1.13 0.13 0.00 0.00 175.17 174.66 1dkq h ASN 137 N 9.40 -1.60 -0.77 -0.34 -0.73 -1.93 -0.42 115.58 119.20 1dkq h ASN 137 Ca -0.27 0.21 0.03 0.00 1.87 0.00 0.00 56.30 58.14 1dkq h ASN 137 Cb 1.07 0.66 -0.05 0.00 0.27 0.00 0.00 38.32 40.28 1dkq h ASN 137 CO 1.12 -0.42 0.49 0.00 -0.37 0.00 0.00 177.43 178.25 1dkq h ALA 138 N 0.07 1.00 -0.37 1.57 0.00 -1.96 -0.38 119.26 119.19 1dkq h ALA 138 Ca 0.08 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 1dkq h ALA 138 Cb 0.62 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1dkq h ALA 138 CO -0.51 0.30 -0.42 -0.97 0.00 0.00 0.00 179.25 177.64 1dkq h ASN 139 N 0.96 1.00 -0.48 0.00 -0.00 -1.90 -2.37 115.58 112.79 1dkq h ASN 139 Ca 0.31 -0.48 -0.12 0.00 -0.00 0.00 0.00 56.30 56.01 1dkq h ASN 139 Cb 0.00 -0.28 -0.01 0.00 -0.00 0.00 0.00 38.32 38.03 1dkq h ASN 139 CO -0.11 1.28 -0.17 0.58 -0.00 0.00 0.00 177.43 179.02 1dkq h VAL 140 N 0.75 1.27 -0.19 2.57 2.07 -0.94 -1.65 116.25 120.14 1dkq h VAL 140 Ca 0.05 -1.32 0.01 0.00 0.82 0.00 0.00 66.70 66.26 1dkq h VAL 140 Cb 1.02 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1dkq h VAL 140 CO 0.10 0.46 0.10 0.74 0.02 0.00 0.00 177.57 178.99 1dkq h THR 141 N 0.82 1.01 -0.69 2.57 2.02 -1.01 -0.59 112.91 117.03 1dkq h THR 141 Ca 0.12 -0.07 -0.05 0.00 0.77 0.00 0.00 66.41 67.18 1dkq h THR 141 Cb 0.73 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 1dkq h THR 141 CO 0.06 0.04 0.25 -0.78 0.37 0.00 0.00 175.52 175.45 1dkq h ASP 142 N 0.21 0.98 -0.52 4.18 1.82 -1.37 -1.90 116.42 119.82 1dkq h ASP 142 Ca 0.07 -0.19 -0.08 0.00 -0.39 0.00 0.00 57.03 56.44 1dkq h ASP 142 Cb 0.01 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 39.74 1dkq h ASP 142 CO -0.04 0.91 0.02 0.00 -1.61 0.00 0.00 179.24 178.52 1dkq h ALA 143 N 1.11 0.70 -0.09 -0.78 0.00 -0.98 0.51 119.26 119.74 1dkq h ALA 143 Ca 0.23 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1dkq h ALA 143 Cb 0.26 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1dkq h ALA 143 CO -0.01 0.50 -0.08 0.82 0.00 0.00 0.00 179.25 180.48 1dkq h ILE 144 N 0.79 1.35 -0.99 0.00 2.04 -1.03 -1.47 117.51 118.21 1dkq h ILE 144 Ca 0.15 -1.20 0.02 0.00 1.00 0.00 0.00 64.86 64.83 1dkq h ILE 144 Cb 0.50 1.94 -0.05 0.00 -0.74 0.00 0.00 36.82 38.47 1dkq h ILE 144 CO 0.02 0.34 0.65 -0.07 0.00 0.00 0.00 178.15 179.09 1dkq h LEU 145 N -0.18 1.11 -0.43 1.44 -0.00 -1.34 -0.03 115.31 115.89 1dkq h LEU 145 Ca 0.02 -0.02 0.02 0.00 -0.00 0.00 0.00 57.88 57.89 1dkq h LEU 145 Cb 0.58 -0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 40.94 1dkq h LEU 145 CO 0.02 0.79 0.25 -1.28 -0.00 0.00 0.00 178.44 178.22 1dkq h SER 146 N 1.31 0.40 0.96 -0.43 0.87 -0.78 0.19 113.55 116.07 1dkq h SER 146 Ca 0.37 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 1dkq h SER 146 Cb -0.10 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.78 1dkq h SER 146 CO -0.09 0.29 0.00 0.03 -0.53 0.00 0.00 176.83 176.53 1dkq h ARG 147 N 0.51 0.00 -0.01 2.24 3.08 -0.39 -1.84 114.38 117.96 1dkq h ARG 147 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1dkq h ARG 147 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1dkq h ARG 147 CO -0.08 0.00 -0.04 0.00 -1.07 0.00 0.00 179.97 178.77 1dkq n ALA 148 N -1.92 2.68 -0.67 0.04 0.00 -0.11 -4.90 120.51 115.64 1dkq n ALA 148 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1dkq n ALA 148 Cb 0.29 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1dkq n ALA 148 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dkq n GLY 149 N 1.17 0.63 0.00 0.00 0.00 -0.69 -3.96 105.19 102.34 1dkq n GLY 149 Ca 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1dkq n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dkq n GLY 150 N -2.67 2.49 3.28 -0.02 0.00 0.51 -5.01 105.19 103.77 1dkq n GLY 150 Ca 0.00 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 1dkq n GLY 150 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dkq s SER 151 N -0.08 -0.18 0.29 1.61 1.04 -1.25 -4.84 113.70 110.28 1dkq s SER 151 Ca 0.00 -0.12 0.07 0.00 0.48 0.00 0.00 55.95 56.38 1dkq s SER 151 Cb 0.00 0.38 0.42 0.00 0.10 0.00 0.00 66.02 66.92 1dkq s SER 151 CO 0.00 -0.64 1.67 0.40 0.98 0.00 0.00 173.24 175.65 1dkq h ILE 152 N 3.13 1.34 -0.29 -1.02 1.08 -1.89 -2.69 117.51 117.18 1dkq h ILE 152 Ca -0.32 -1.68 -0.01 0.00 -0.39 0.00 0.00 64.86 62.46 1dkq h ILE 152 Cb 1.20 1.81 -0.01 0.00 -3.07 0.00 0.00 36.82 36.75 1dkq h ILE 152 CO 0.45 0.49 0.13 0.00 -0.69 0.00 0.00 178.15 178.53 1dkq h ALA 153 N 1.36 0.38 -0.31 1.87 0.00 -1.93 0.75 119.26 121.37 1dkq h ALA 153 Ca 0.01 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1dkq h ALA 153 Cb 0.90 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1dkq h ALA 153 CO 0.07 -0.04 -0.09 0.22 0.00 0.00 0.00 179.25 179.41 1dkq h ASP 154 N 0.33 0.50 0.21 0.00 1.82 -1.86 0.22 116.42 117.63 1dkq h ASP 154 Ca 0.10 -0.12 -0.01 0.00 -0.39 0.00 0.00 57.03 56.61 1dkq h ASP 154 Cb 0.15 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.03 1dkq h ASP 154 CO -0.01 0.63 -0.10 0.15 -1.61 0.00 0.00 179.24 178.31 1dkq h PHE 155 N 0.49 -0.26 -0.13 0.28 3.57 -1.04 -2.19 116.94 117.65 1dkq h PHE 155 Ca 0.09 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.49 1dkq h PHE 155 Cb 0.45 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1dkq h PHE 155 CO 0.02 -0.05 -0.33 1.79 -2.23 0.00 0.00 178.31 177.50 1dkq h THR 156 N -0.42 1.28 -0.95 4.41 1.35 -0.72 -2.86 112.91 115.00 1dkq h THR 156 Ca -0.03 -1.33 0.07 0.00 -0.55 0.00 0.00 66.41 64.57 1dkq h THR 156 Cb 0.32 1.55 -0.06 0.00 -1.73 0.00 0.00 68.15 68.22 1dkq h THR 156 CO 0.05 0.40 0.62 1.23 -0.25 0.00 0.00 175.52 177.57 1dkq h GLY 157 N 1.10 1.43 1.30 5.82 0.00 -0.26 0.61 103.07 113.07 1dkq h GLY 157 Ca 0.03 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1dkq h GLY 157 CO 0.05 0.30 0.00 1.42 0.00 0.00 0.00 176.54 178.31 1dkq n HIS 158 N -4.50 0.00 -1.24 5.60 -0.00 -0.85 -3.09 115.22 111.13 1dkq n HIS 158 Ca 0.15 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.95 1dkq n HIS 158 Cb 0.21 -0.15 0.12 0.00 -0.00 0.00 0.00 29.99 30.16 1dkq n HIS 158 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1dkq n ARG 159 N -1.15 1.06 -0.12 -0.41 1.74 0.17 -4.78 116.66 113.16 1dkq n ARG 159 Ca 0.15 -2.31 0.07 0.00 -0.77 0.00 0.00 57.85 54.99 1dkq n ARG 159 Cb 0.14 -1.32 0.40 0.00 -1.02 0.00 0.00 32.46 30.66 1dkq n ARG 159 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1dkq h GLN 160 N 0.00 0.62 -0.80 5.56 1.08 -1.39 -0.64 115.11 119.55 1dkq h GLN 160 Ca -0.00 -0.04 0.02 0.00 -1.45 0.00 0.00 58.65 57.19 1dkq h GLN 160 Cb 1.07 -0.14 -0.05 0.00 -0.05 0.00 0.00 27.48 28.32 1dkq h GLN 160 CO 0.00 0.41 0.51 1.15 -0.95 0.00 0.00 178.83 179.95 1dkq h THR 161 N 0.64 1.15 -0.40 -0.54 2.02 -1.87 0.37 112.91 114.28 1dkq h THR 161 Ca 0.27 -0.35 -0.15 0.00 0.77 0.00 0.00 66.41 66.95 1dkq h THR 161 Cb 0.26 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 1dkq h THR 161 CO -0.08 0.19 -0.36 0.00 0.37 0.00 0.00 175.52 175.64 1dkq h ALA 162 N 1.32 0.62 -0.28 6.16 0.00 -1.47 -1.69 119.26 123.91 1dkq h ALA 162 Ca 0.31 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1dkq h ALA 162 Cb -0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1dkq h ALA 162 CO -0.10 0.68 -0.14 0.74 0.00 0.00 0.00 179.25 180.42 1dkq h PHE 163 N 0.77 0.53 -0.01 0.00 0.04 -0.31 -1.88 116.94 116.07 1dkq h PHE 163 Ca 0.07 -0.08 -0.15 0.00 2.80 0.00 0.00 57.97 60.60 1dkq h PHE 163 Cb 0.94 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.93 1dkq h PHE 163 CO 0.06 0.61 -0.70 0.00 -0.60 0.00 0.00 178.31 177.68 1dkq h ARG 164 N 0.45 0.07 -0.34 1.51 3.08 -0.13 -1.59 114.38 117.43 1dkq h ARG 164 Ca 0.08 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1dkq h ARG 164 Cb 0.52 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1dkq h ARG 164 CO 0.03 0.74 0.06 1.49 -1.07 0.00 0.00 179.97 181.22 1dkq h GLU 165 N 0.04 0.56 -0.47 0.04 4.57 -0.96 -0.89 114.58 117.47 1dkq h GLU 165 Ca -0.01 -0.15 -0.00 0.00 -1.18 0.00 0.00 59.36 58.02 1dkq h GLU 165 Cb 1.24 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.74 1dkq h GLU 165 CO 0.10 0.63 0.28 1.25 -1.18 0.00 0.00 179.01 180.09 1dkq h LEU 166 N 0.39 0.57 -1.00 1.64 5.85 -1.21 -1.28 115.31 120.27 1dkq h LEU 166 Ca 0.10 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.80 1dkq h LEU 166 Cb 0.34 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 1dkq h LEU 166 CO 0.01 0.46 0.65 -0.33 -0.34 0.00 0.00 178.44 178.89 1dkq h GLU 167 N 0.62 1.23 -0.33 1.25 5.08 -1.07 -1.18 114.58 120.19 1dkq h GLU 167 Ca 0.17 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1dkq h GLU 167 Cb 0.00 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 28.96 1dkq h GLU 167 CO -0.03 0.82 0.17 -0.09 -1.00 0.00 0.00 179.01 178.87 1dkq h ARG 168 N 1.27 0.48 0.00 2.33 1.12 -0.67 0.23 114.38 119.14 1dkq h ARG 168 Ca 0.40 -0.07 -0.05 0.00 -1.11 0.00 0.00 59.98 59.15 1dkq h ARG 168 Cb -0.01 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 29.86 1dkq h ARG 168 CO -0.12 0.43 -0.24 0.28 -3.11 0.00 0.00 179.97 177.21 1dkq h VAL 169 N 0.41 1.09 0.00 0.20 2.07 -0.63 -2.72 116.25 116.67 1dkq h VAL 169 Ca 0.12 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1dkq h VAL 169 Cb 0.11 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1dkq h VAL 169 CO -0.02 0.23 -0.74 -0.07 0.02 0.00 0.00 177.57 177.00 1dkq h LEU 170 N 0.00 0.00 -1.03 2.57 3.38 -0.75 -3.45 115.31 116.03 1dkq h LEU 170 Ca -0.00 -0.09 -0.35 0.00 0.09 0.00 0.00 57.88 57.53 1dkq h LEU 170 Cb 0.44 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.32 1dkq h LEU 170 CO 0.03 0.05 -0.63 -3.20 0.09 0.00 0.00 178.44 174.77 1dkq n ASN 171 N -2.48 -5.19 -0.33 -0.43 5.15 0.63 -4.11 115.26 108.50 1dkq n ASN 171 Ca 0.02 -0.51 0.19 0.00 -0.60 0.00 0.00 54.58 53.68 1dkq n ASN 171 Cb 0.50 -4.64 0.40 0.00 -0.53 0.00 0.00 39.78 35.51 1dkq n ASN 171 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1dkq h PHE 172 N -2.32 0.83 -0.95 1.20 3.57 -1.18 -0.57 116.94 117.51 1dkq h PHE 172 Ca -0.52 0.04 0.21 0.00 3.53 0.00 0.00 57.97 61.23 1dkq h PHE 172 Cb 1.33 -0.21 -0.08 0.00 2.79 0.00 0.00 35.95 39.78 1dkq h PHE 172 CO 0.44 -0.10 0.62 -1.00 -2.23 0.00 0.00 178.31 176.04 1dkq h PRO 173 N 0.39 0.49 -0.77 6.41 0.13 -1.89 -0.06 132.00 136.70 1dkq h PRO 173 Ca 0.66 -0.03 -0.20 0.00 -0.87 0.00 0.00 66.00 65.56 1dkq h PRO 173 Cb 1.38 -0.11 -0.12 0.00 0.13 0.00 0.00 31.00 32.28 1dkq h PRO 173 CO -0.57 0.32 0.25 1.04 -0.23 0.00 0.00 178.00 178.82 1dkq n GLN 174 N -4.59 3.68 -2.81 0.86 1.13 -0.23 -4.46 117.38 110.96 1dkq n GLN 174 Ca 0.21 -2.93 -0.26 0.00 -1.94 0.00 0.00 57.00 52.09 1dkq n GLN 174 Cb 0.69 -2.18 0.00 0.00 0.11 0.00 0.00 30.24 28.86 1dkq n GLN 174 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1dkq s SER 175 N -0.91 6.17 0.25 1.08 1.04 -0.04 -4.18 113.70 117.11 1dkq s SER 175 Ca 0.52 0.75 -0.01 0.00 0.48 0.00 0.00 55.95 57.69 1dkq s SER 175 Cb 0.42 -2.09 0.29 0.00 0.10 0.00 0.00 66.02 64.74 1dkq s SER 175 CO 0.13 -0.57 1.68 0.78 0.98 0.00 0.00 173.24 176.24 1dkq h ASN 176 N 0.32 0.66 -0.98 7.02 2.35 -1.77 -1.38 115.58 121.80 1dkq h ASN 176 Ca -0.47 -0.22 0.13 0.00 -0.55 0.00 0.00 56.30 55.18 1dkq h ASN 176 Cb 1.22 -0.18 -0.08 0.00 0.05 0.00 0.00 38.32 39.32 1dkq h ASN 176 CO 0.61 0.86 0.62 0.25 -1.65 0.00 0.00 177.43 178.13 1dkq h LEU 177 N 0.58 0.88 0.08 1.61 5.85 -1.51 0.24 115.31 123.04 1dkq h LEU 177 Ca 0.09 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1dkq h LEU 177 Cb 0.67 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1dkq h LEU 177 CO 0.05 0.46 -0.04 0.00 -0.34 0.00 0.00 178.44 178.57 1dkq h LEU 179 N -0.96 0.00 -2.62 0.00 3.38 -1.16 -1.76 115.31 112.20 1dkq h LEU 179 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1dkq h LEU 179 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1dkq h LEU 179 CO 0.02 0.05 0.00 0.29 0.09 0.00 0.00 178.44 178.89 1dkq n LYS 180 N -4.04 2.88 -2.55 1.13 5.02 0.06 -4.94 118.16 115.72 1dkq n LYS 180 Ca -0.03 -2.50 -0.40 0.00 -2.02 0.00 0.00 58.31 53.36 1dkq n LYS 180 Cb 0.13 -1.63 -0.05 0.00 -0.02 0.00 0.00 35.03 33.46 1dkq n LYS 180 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1dkq s ARG 181 N -1.34 4.69 0.15 1.97 3.52 -0.66 -4.98 118.95 122.31 1dkq s ARG 181 Ca 0.46 1.71 0.17 0.00 -0.13 0.00 0.00 55.73 57.94 1dkq s ARG 181 Cb 0.26 -3.22 -0.05 0.00 -1.56 0.00 0.00 34.95 30.38 1dkq s ARG 181 CO 0.28 0.28 1.06 0.93 -0.81 0.00 0.00 175.30 177.04 1dkq h GLU 182 N 4.06 0.00 -2.32 5.12 5.08 -1.92 -3.37 114.58 121.24 1dkq h GLU 182 Ca -0.46 0.00 -0.79 0.00 -1.00 0.00 0.00 59.36 57.11 1dkq h GLU 182 Cb 1.21 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.22 1dkq h GLU 182 CO 0.68 0.31 1.32 0.36 -1.00 0.00 0.00 179.01 180.68 1dkq n LYS 183 N -2.97 5.20 0.00 2.33 -0.00 -1.26 -4.74 118.16 116.72 1dkq n LYS 183 Ca -0.05 -4.38 0.00 0.00 -0.00 0.00 0.00 58.31 53.88 1dkq n LYS 183 Cb 0.77 -2.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.30 1dkq n LYS 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1dkq n GLN 184 N 0.30 0.83 0.08 -1.58 6.02 -1.26 -2.98 117.38 118.79 1dkq n GLN 184 Ca 0.50 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 57.45 1dkq n GLN 184 Cb 0.26 -1.36 -0.06 0.00 1.02 0.00 0.00 30.24 30.09 1dkq n GLN 184 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 1dkq h ASP 185 N 0.19 0.00 -2.17 1.08 -0.00 -1.96 -3.45 116.42 110.11 1dkq h ASP 185 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 57.03 56.46 1dkq h ASP 185 Cb 0.48 0.00 -0.11 0.00 -0.00 0.00 0.00 39.33 39.71 1dkq h ASP 185 CO 0.00 0.87 -0.66 -1.61 -0.00 0.00 0.00 179.24 177.83 1dkq s GLU 186 N -2.83 2.14 0.75 0.28 2.02 -1.16 -5.11 118.70 114.79 1dkq s GLU 186 Ca 0.01 -1.53 -0.14 0.00 0.02 0.00 0.00 54.97 53.33 1dkq s GLU 186 Cb 0.10 -2.05 0.05 0.00 0.10 0.00 0.00 34.13 32.32 1dkq s GLU 186 CO 0.80 0.33 1.19 -1.12 0.02 0.00 0.00 175.26 176.48 1dkq s SER 187 N -3.65 4.10 0.05 -0.19 0.01 -1.26 -4.95 113.70 107.82 1dkq s SER 187 Ca 0.32 2.30 -0.30 0.00 1.31 0.00 0.00 55.95 59.58 1dkq s SER 187 Cb -0.05 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.55 1dkq s SER 187 CO 0.19 -2.32 1.03 0.00 0.41 0.00 0.00 173.24 172.55 1dkq s SER 189 N 0.71 -0.03 0.14 0.00 0.15 -1.26 -4.96 113.70 108.44 1dkq s SER 189 Ca 0.52 0.16 -0.21 0.00 0.70 0.00 0.00 55.95 57.12 1dkq s SER 189 Cb -0.24 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.15 1dkq s SER 189 CO 0.29 -0.11 1.68 -0.07 1.20 0.00 0.00 173.24 176.23 1dkq h LEU 190 N 6.93 -0.38 -1.38 3.45 3.38 -1.96 0.90 115.31 126.25 1dkq h LEU 190 Ca -0.39 0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.61 1dkq h LEU 190 Cb 1.15 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 1dkq h LEU 190 CO 0.46 -0.15 -0.18 0.71 0.09 0.00 0.00 178.44 179.37 1dkq h THR 191 N -0.10 1.19 0.02 0.22 1.35 -1.95 0.85 112.91 114.49 1dkq h THR 191 Ca 0.11 -0.86 -0.06 0.00 -0.55 0.00 0.00 66.41 65.05 1dkq h THR 191 Cb 0.27 1.31 0.01 0.00 -1.73 0.00 0.00 68.15 68.00 1dkq h THR 191 CO -0.27 0.26 -0.25 -0.61 -0.25 0.00 0.00 175.52 174.41 1dkq h GLN 192 N 0.18 0.14 0.00 4.72 5.75 -1.77 -3.24 115.11 120.89 1dkq h GLN 192 Ca 0.03 -0.17 -0.07 0.00 -0.15 0.00 0.00 58.65 58.30 1dkq h GLN 192 Cb 0.43 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.02 1dkq h GLN 192 CO 0.03 0.96 -0.31 0.00 -2.65 0.00 0.00 178.83 176.86 1dkq h ALA 193 N 0.18 1.45 -2.60 3.38 0.00 0.98 -3.35 119.26 119.30 1dkq h ALA 193 Ca -0.04 -0.28 -0.60 0.00 0.00 0.00 0.00 54.91 53.99 1dkq h ALA 193 Cb 1.06 -0.05 -0.40 0.00 0.00 0.00 0.00 17.79 18.40 1dkq h ALA 193 CO 0.05 0.39 -0.79 1.28 0.00 0.00 0.00 179.25 180.18 1dkq n LEU 194 N -4.12 1.39 -4.66 0.00 4.77 0.28 -5.04 117.00 109.62 1dkq n LEU 194 Ca -0.02 -4.84 -0.43 0.00 -0.03 0.00 0.00 56.01 50.68 1dkq n LEU 194 Cb 0.36 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 1dkq n LEU 194 CO 0.38 1.86 0.79 -0.81 -1.33 0.00 0.00 177.39 178.28 1dkq n PRO 195 N 2.16 1.84 -3.52 3.23 -0.04 -1.22 -1.14 135.00 136.31 1dkq n PRO 195 Ca 0.25 0.65 -0.41 0.00 -0.04 0.00 0.00 63.50 63.95 1dkq n PRO 195 Cb 0.43 -2.16 -0.10 0.00 -0.04 0.00 0.00 33.50 31.62 1dkq n PRO 195 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1dkq s SER 196 N -0.35 6.07 -0.00 3.54 0.01 -1.25 -3.78 113.70 117.93 1dkq s SER 196 Ca 0.58 -0.46 0.04 0.00 1.31 0.00 0.00 55.95 57.41 1dkq s SER 196 Cb -0.62 -2.14 -0.03 0.00 0.21 0.00 0.00 66.02 63.43 1dkq s SER 196 CO 0.60 -0.26 -0.09 -1.61 0.41 0.00 0.00 173.24 172.29 1dkq s GLU 197 N 1.73 2.49 -0.22 12.44 2.02 -1.24 -4.83 118.70 131.10 1dkq s GLU 197 Ca 0.06 -0.74 -0.25 0.00 0.02 0.00 0.00 54.97 54.06 1dkq s GLU 197 Cb -0.18 -2.45 -0.01 0.00 0.10 0.00 0.00 34.13 31.60 1dkq s GLU 197 CO 0.11 0.60 0.86 -1.17 0.02 0.00 0.00 175.26 175.68 1dkq s LEU 198 N -1.28 4.11 -0.17 1.80 2.96 -1.26 -1.84 118.68 123.01 1dkq s LEU 198 Ca 0.16 1.13 -0.03 0.00 -0.22 0.00 0.00 54.13 55.16 1dkq s LEU 198 Cb -0.11 -3.25 -0.02 0.00 0.50 0.00 0.00 46.19 43.31 1dkq s LEU 198 CO 0.06 -0.50 -0.05 -0.54 -1.32 0.00 0.00 176.35 174.00 1dkq s LYS 199 N 2.68 3.57 -0.07 1.98 -0.14 0.14 -4.97 119.74 122.93 1dkq s LYS 199 Ca 0.37 -0.56 0.01 0.00 -1.36 0.00 0.00 55.97 54.42 1dkq s LYS 199 Cb -0.16 -2.91 0.02 0.00 -1.68 0.00 0.00 37.83 33.11 1dkq s LYS 199 CO 0.09 0.13 -0.06 0.08 -0.76 0.00 0.00 175.35 174.83 1dkq s VAL 200 N 0.63 0.77 0.35 3.17 1.01 -1.26 0.01 120.40 125.08 1dkq s VAL 200 Ca -0.03 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 61.78 1dkq s VAL 200 Cb -0.15 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 1dkq s VAL 200 CO 0.02 0.30 0.15 -0.94 0.00 0.00 0.00 175.10 174.63 1dkq s SER 201 N 1.22 2.12 0.33 3.32 1.04 0.38 -4.97 113.70 117.14 1dkq s SER 201 Ca -0.06 -1.62 0.01 0.00 0.48 0.00 0.00 55.95 54.77 1dkq s SER 201 Cb -0.14 0.42 0.58 0.00 0.10 0.00 0.00 66.02 66.99 1dkq s SER 201 CO -0.02 -0.91 1.98 0.00 0.98 0.00 0.00 173.24 175.27 1dkq h ALA 202 N 2.02 1.53 -0.01 5.32 0.00 -1.98 -3.13 119.26 123.01 1dkq h ALA 202 Ca -0.34 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1dkq h ALA 202 Cb 1.26 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1dkq h ALA 202 CO 0.53 0.41 -0.50 -0.40 0.00 0.00 0.00 179.25 179.29 1dkq n ASP 203 N -4.44 1.75 -3.72 0.00 3.85 -1.26 -0.16 116.55 112.57 1dkq n ASP 203 Ca 0.09 -1.38 -0.07 0.00 -0.71 0.00 0.00 54.79 52.72 1dkq n ASP 203 Cb 0.09 0.55 -0.02 0.00 -1.35 0.00 0.00 41.12 40.39 1dkq n ASP 203 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.20 176.40 1dkq s ASN 204 N -2.36 -0.32 0.01 -1.12 2.47 -1.18 -3.84 114.94 108.60 1dkq s ASN 204 Ca 0.15 -0.40 -0.00 0.00 0.42 0.00 0.00 52.86 53.04 1dkq s ASN 204 Cb 0.16 0.63 -0.01 0.00 -1.45 0.00 0.00 41.25 40.58 1dkq s ASN 204 CO 0.56 -1.13 -0.01 0.68 -3.72 0.00 0.00 177.10 173.48 1dkq s VAL 205 N -3.70 0.05 0.19 -5.21 -7.23 -1.26 -0.47 120.40 102.77 1dkq s VAL 205 Ca 0.09 -0.43 -0.18 0.00 -1.81 0.00 0.00 61.98 59.65 1dkq s VAL 205 Cb -0.04 -0.13 0.03 0.00 0.56 0.00 0.00 36.38 36.81 1dkq s VAL 205 CO 0.01 -0.24 0.53 -0.94 -0.31 0.00 0.00 175.10 174.15 1dkq s SER 206 N -0.69 -0.29 -0.14 4.85 1.04 0.10 -4.99 113.70 113.59 1dkq s SER 206 Ca -0.08 -0.42 0.02 0.00 0.48 0.00 0.00 55.95 55.96 1dkq s SER 206 Cb -0.05 0.58 0.01 0.00 0.10 0.00 0.00 66.02 66.66 1dkq s SER 206 CO -0.00 -1.04 -0.22 -0.76 0.98 0.00 0.00 173.24 172.20 1dkq s LEU 207 N -2.86 2.09 0.59 2.42 2.01 -1.26 0.29 118.68 121.96 1dkq s LEU 207 Ca 0.08 -0.60 0.00 0.00 0.01 0.00 0.00 54.13 53.62 1dkq s LEU 207 Cb -0.01 -1.43 0.05 0.00 0.01 0.00 0.00 46.19 44.81 1dkq s LEU 207 CO -0.04 0.07 0.83 0.42 1.01 0.00 0.00 176.35 178.64 1dkq s THR 208 N 0.84 2.55 0.00 5.49 -4.23 -0.76 -4.07 115.64 115.45 1dkq s THR 208 Ca -0.07 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.84 1dkq s THR 208 Cb -0.15 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 70.74 1dkq s THR 208 CO -0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 1dkq n GLY 209 N -2.48 -0.61 0.25 3.99 0.00 -1.25 -3.67 105.19 101.43 1dkq n GLY 209 Ca 0.09 -1.16 0.06 0.00 0.00 0.00 0.00 46.02 45.01 1dkq n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dkq h ALA 210 N 0.00 1.83 0.09 4.61 0.00 -1.36 -2.22 119.26 122.22 1dkq h ALA 210 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1dkq h ALA 210 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1dkq h ALA 210 CO 0.00 0.13 -0.04 0.28 0.00 0.00 0.00 179.25 179.61 1dkq h VAL 211 N 0.07 0.96 -0.01 0.00 2.07 -1.84 0.11 116.25 117.62 1dkq h VAL 211 Ca 0.02 -0.18 -0.20 0.00 0.82 0.00 0.00 66.70 67.16 1dkq h VAL 211 Cb 0.13 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1dkq h VAL 211 CO 0.01 0.04 -0.88 0.77 0.02 0.00 0.00 177.57 177.54 1dkq h SER 212 N -0.20 0.35 -0.17 0.57 4.64 -1.68 -2.26 113.55 114.80 1dkq h SER 212 Ca -0.01 -0.28 -0.02 0.00 -0.47 0.00 0.00 61.79 61.02 1dkq h SER 212 Cb 0.17 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1dkq h SER 212 CO 0.02 1.07 0.05 0.25 -0.87 0.00 0.00 176.83 177.34 1dkq h LEU 213 N 0.16 0.25 -1.01 5.97 5.85 -1.35 -1.98 115.31 123.20 1dkq h LEU 213 Ca -0.05 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 1dkq h LEU 213 Cb 1.50 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.43 1dkq h LEU 213 CO 0.14 0.41 0.21 0.00 -0.34 0.00 0.00 178.44 178.86 1dkq h ALA 214 N 0.86 1.21 -0.67 1.25 0.00 -0.99 0.22 119.26 121.14 1dkq h ALA 214 Ca 0.05 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1dkq h ALA 214 Cb 0.25 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1dkq h ALA 214 CO -0.00 0.56 0.21 1.03 0.00 0.00 0.00 179.25 181.05 1dkq h SER 215 N 0.90 0.97 -0.06 0.00 0.87 -1.28 -1.10 113.55 113.85 1dkq h SER 215 Ca 0.21 -0.21 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 1dkq h SER 215 Cb 0.23 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1dkq h SER 215 CO -0.01 0.92 -0.10 -0.03 -0.53 0.00 0.00 176.83 177.08 1dkq h MET 216 N 0.97 0.18 -0.52 2.24 -1.53 -0.83 -2.89 114.93 112.55 1dkq h MET 216 Ca 0.22 -0.11 -0.01 0.00 -3.44 0.00 0.00 59.70 56.35 1dkq h MET 216 Cb 0.30 0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 31.33 1dkq h MET 216 CO -0.01 0.67 0.26 -0.07 0.14 0.00 0.00 176.91 177.90 1dkq h LEU 217 N -0.30 0.66 -1.24 3.39 4.07 -0.52 -0.80 115.31 120.57 1dkq h LEU 217 Ca 0.01 -0.11 -0.07 0.00 0.08 0.00 0.00 57.88 57.79 1dkq h LEU 217 Cb 0.65 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 1dkq h LEU 217 CO 0.02 0.59 -0.19 0.71 -1.08 0.00 0.00 178.44 178.49 1dkq h THR 218 N 0.69 1.22 -0.26 0.22 1.35 -1.29 -1.29 112.91 113.55 1dkq h THR 218 Ca 0.18 -0.99 -0.13 0.00 -0.55 0.00 0.00 66.41 64.92 1dkq h THR 218 Cb 0.09 1.30 -0.01 0.00 -1.73 0.00 0.00 68.15 67.80 1dkq h THR 218 CO -0.03 0.31 -0.38 -0.08 -0.25 0.00 0.00 175.52 175.09 1dkq h GLU 219 N 0.26 0.59 -0.57 4.72 4.57 -1.26 -2.17 114.58 120.72 1dkq h GLU 219 Ca 0.05 -0.29 -0.06 0.00 -1.18 0.00 0.00 59.36 57.88 1dkq h GLU 219 Cb 0.49 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.06 1dkq h GLU 219 CO 0.03 0.87 0.12 0.82 -1.18 0.00 0.00 179.01 179.67 1dkq h ILE 220 N 0.49 1.24 -0.56 2.32 2.04 -0.08 -0.30 117.51 122.65 1dkq h ILE 220 Ca 0.05 -0.89 -0.08 0.00 1.00 0.00 0.00 64.86 64.93 1dkq h ILE 220 Cb 0.88 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1dkq h ILE 220 CO 0.08 0.33 0.02 -0.26 0.00 0.00 0.00 178.15 178.32 1dkq h PHE 221 N 0.85 1.06 -0.85 1.37 0.04 -1.00 -0.02 116.94 118.40 1dkq h PHE 221 Ca 0.18 -0.18 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 1dkq h PHE 221 Cb 0.34 -0.28 -0.04 0.00 2.20 0.00 0.00 35.95 38.17 1dkq h PHE 221 CO 0.02 0.95 0.46 1.25 -0.60 0.00 0.00 178.31 180.39 1dkq h LEU 222 N 0.87 1.06 -0.43 1.54 6.46 -0.94 -1.43 115.31 122.44 1dkq h LEU 222 Ca 0.16 -0.09 -0.03 0.00 -0.12 0.00 0.00 57.88 57.80 1dkq h LEU 222 Cb 0.52 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 1dkq h LEU 222 CO 0.02 0.85 0.14 -0.07 -0.62 0.00 0.00 178.44 178.77 1dkq h LEU 223 N 1.18 0.61 -0.09 2.25 4.07 -0.62 0.81 115.31 123.52 1dkq h LEU 223 Ca 0.30 -0.19 0.03 0.00 0.08 0.00 0.00 57.88 58.09 1dkq h LEU 223 Cb 0.03 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.59 1dkq h LEU 223 CO -0.05 0.64 -0.06 1.56 -1.08 0.00 0.00 178.44 179.45 1dkq h GLN 224 N 0.54 -0.07 -0.16 1.13 4.20 -0.53 0.29 115.11 120.51 1dkq h GLN 224 Ca 0.14 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.89 1dkq h GLN 224 Cb 0.24 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 1dkq h GLN 224 CO -0.01 -0.04 -0.05 0.37 -0.67 0.00 0.00 178.83 178.43 1dkq h GLN 225 N -0.07 -0.02 0.00 1.46 5.75 -1.05 -1.73 115.11 119.45 1dkq h GLN 225 Ca 0.06 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.52 1dkq h GLN 225 Cb 0.16 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 1dkq h GLN 225 CO -0.14 -0.01 -0.21 0.00 -2.65 0.00 0.00 178.83 175.82 1dkq h ALA 226 N 1.13 1.42 0.00 3.38 0.00 -0.55 -1.84 119.26 122.81 1dkq h ALA 226 Ca 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1dkq h ALA 226 Cb 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1dkq h ALA 226 CO -0.18 0.26 0.00 0.94 0.00 0.00 0.00 179.25 180.28 1dkq n GLN 227 N -3.95 0.11 -0.85 0.00 -0.06 0.98 -4.36 117.38 109.25 1dkq n GLN 227 Ca -0.02 0.10 0.00 0.00 -2.00 0.00 0.00 57.00 55.08 1dkq n GLN 227 Cb 0.29 -1.63 0.00 0.00 -4.06 0.00 0.00 30.24 24.85 1dkq n GLN 227 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1dkq n GLY 228 N 1.36 0.48 3.76 1.69 0.00 -0.69 -5.02 105.19 106.77 1dkq n GLY 228 Ca 0.06 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 1dkq n GLY 228 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1dkq s MET 229 N -1.55 4.34 0.00 1.61 -1.94 -0.78 -4.94 119.30 116.04 1dkq s MET 229 Ca 0.00 2.22 0.00 0.00 -1.71 0.00 0.00 55.69 56.20 1dkq s MET 229 Cb 0.00 -3.08 0.00 0.00 2.01 0.00 0.00 34.83 33.76 1dkq s MET 229 CO 0.00 -0.23 0.69 -2.30 -0.01 0.00 0.00 175.02 173.17 1dkq n PRO 230 N 1.11 0.00 -3.85 2.03 -0.02 -1.26 -4.04 135.00 128.97 1dkq n PRO 230 Ca 0.01 0.69 -0.29 0.00 -2.02 0.00 0.00 63.50 61.89 1dkq n PRO 230 Cb 0.42 -1.08 -0.13 0.00 -0.02 0.00 0.00 33.50 32.68 1dkq n PRO 230 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1dkq s GLU 231 N -2.47 1.90 0.42 -0.52 2.02 -1.26 -4.99 118.70 113.80 1dkq s GLU 231 Ca 0.00 -2.66 -0.26 0.00 0.02 0.00 0.00 54.97 52.08 1dkq s GLU 231 Cb 0.00 -3.02 -0.10 0.00 0.10 0.00 0.00 34.13 31.11 1dkq s GLU 231 CO 0.00 -1.18 1.33 -2.30 0.02 0.00 0.00 175.26 173.13 1dkq n PRO 232 N 2.88 2.10 -2.54 0.39 -0.02 -1.26 -1.69 135.00 134.86 1dkq n PRO 232 Ca 0.11 0.74 -0.19 0.00 -2.02 0.00 0.00 63.50 62.14 1dkq n PRO 232 Cb 0.34 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 1dkq n PRO 232 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dkq n GLY 233 N 0.72 -0.42 3.80 -1.23 0.00 -1.26 -2.15 105.19 104.65 1dkq n GLY 233 Ca 0.06 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1dkq n GLY 233 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1dkq n TRP 234 N -4.14 -2.35 -0.85 1.61 8.01 -0.68 -1.31 117.44 117.72 1dkq n TRP 234 Ca -0.19 0.92 0.00 0.00 -1.31 0.00 0.00 57.50 56.92 1dkq n TRP 234 Cb 0.65 -4.31 0.00 0.00 -2.01 0.00 0.00 31.31 25.64 1dkq n TRP 234 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1dkq n GLY 235 N -1.72 0.27 0.26 6.99 0.00 -0.91 -4.86 105.19 105.23 1dkq n GLY 235 Ca -0.04 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.13 1dkq n GLY 235 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dkq n ARG 236 N -1.19 1.27 -3.64 1.61 3.00 -0.43 -4.59 116.66 112.70 1dkq n ARG 236 Ca 0.00 -0.52 -0.39 0.00 -0.01 0.00 0.00 57.85 56.93 1dkq n ARG 236 Cb 0.17 -1.49 -0.09 0.00 0.00 0.00 0.00 32.46 31.05 1dkq n ARG 236 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1dkq s ILE 237 N -2.09 3.90 -1.74 0.55 1.01 -1.26 -4.86 121.20 116.71 1dkq s ILE 237 Ca 0.39 -2.12 0.16 0.00 0.00 0.00 0.00 60.65 59.09 1dkq s ILE 237 Cb 0.21 -3.58 0.05 0.00 0.01 0.00 0.00 42.46 39.15 1dkq s ILE 237 CO 0.37 -0.78 0.93 0.35 0.00 0.00 0.00 174.94 175.81 1dkq n THR 238 N 4.51 0.00 -3.89 2.92 -2.24 -1.26 -4.96 114.28 109.36 1dkq n THR 238 Ca -0.02 -0.40 -0.09 0.00 -2.27 0.00 0.00 64.05 61.27 1dkq n THR 238 Cb 0.41 1.26 -0.05 0.00 -2.10 0.00 0.00 70.33 69.85 1dkq n THR 238 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1dkq s ASP 239 N -1.70 -0.15 0.31 3.42 -4.77 -1.26 -5.05 116.67 107.46 1dkq s ASP 239 Ca 0.16 -0.73 -0.01 0.00 -3.30 0.00 0.00 52.55 48.67 1dkq s ASP 239 Cb 0.13 0.58 0.47 0.00 -1.09 0.00 0.00 42.92 43.01 1dkq s ASP 239 CO 0.33 -1.10 1.96 0.77 0.70 0.00 0.00 175.17 177.83 1dkq h SER 240 N 2.25 0.90 -0.26 2.11 4.64 -1.99 -2.07 113.55 119.12 1dkq h SER 240 Ca -0.27 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 60.99 1dkq h SER 240 Cb 1.25 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 63.10 1dkq h SER 240 CO 0.37 0.67 0.10 0.45 -0.87 0.00 0.00 176.83 177.55 1dkq h HIS 241 N 1.06 0.46 -0.24 4.77 -0.00 -1.99 -1.13 115.15 118.08 1dkq h HIS 241 Ca 0.28 -0.02 -0.20 0.00 -0.00 0.00 0.00 60.37 60.43 1dkq h HIS 241 Cb -0.09 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 27.18 1dkq h HIS 241 CO 0.00 0.39 -0.63 1.96 -0.00 0.00 0.00 177.93 179.65 1dkq h GLN 242 N 0.46 0.85 -0.31 2.45 4.20 -1.81 -0.85 115.11 120.11 1dkq h GLN 242 Ca 0.11 -0.60 0.00 0.00 0.06 0.00 0.00 58.65 58.23 1dkq h GLN 242 Cb 0.15 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 1dkq h GLN 242 CO -0.01 1.22 0.20 -1.49 -0.67 0.00 0.00 178.83 178.08 1dkq h TRP 243 N 0.63 0.40 -0.28 2.96 4.06 -0.90 0.30 115.95 123.11 1dkq h TRP 243 Ca -0.01 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.92 1dkq h TRP 243 Cb 1.25 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 29.27 1dkq h TRP 243 CO 0.08 0.27 0.09 -0.91 -3.56 0.00 0.00 178.44 174.40 1dkq h ASN 244 N 0.41 0.41 -0.71 -3.49 2.35 -1.19 -0.74 115.58 112.62 1dkq h ASN 244 Ca 0.11 -0.21 0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1dkq h ASN 244 Cb -0.02 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.20 1dkq h ASN 244 CO -0.02 0.51 0.47 0.74 -1.65 0.00 0.00 177.43 177.47 1dkq h THR 245 N 0.29 1.18 0.07 2.81 2.02 -0.99 -1.06 112.91 117.24 1dkq h THR 245 Ca 0.09 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 1dkq h THR 245 Cb 0.24 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 1dkq h THR 245 CO -0.00 0.18 -0.04 -0.07 0.37 0.00 0.00 175.52 175.96 1dkq h LEU 246 N 0.97 -0.08 -2.05 2.58 3.38 -0.75 -3.15 115.31 116.21 1dkq h LEU 246 Ca 0.26 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1dkq h LEU 246 Cb -0.11 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1dkq h LEU 246 CO -0.06 0.27 -0.03 -0.07 0.09 0.00 0.00 178.44 178.65 1dkq h LEU 247 N -0.45 0.00 -2.38 1.67 -0.00 -1.03 -2.46 115.31 110.66 1dkq h LEU 247 Ca -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.88 1dkq h LEU 247 Cb 0.39 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.04 1dkq h LEU 247 CO 0.02 0.03 0.04 0.77 -0.00 0.00 0.00 178.44 179.29 1dkq h SER 248 N 0.00 0.00 0.19 -0.43 4.64 -1.14 0.15 113.55 116.96 1dkq h SER 248 Ca -0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 1dkq h SER 248 Cb 0.32 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 1dkq h SER 248 CO 0.00 0.00 -0.44 -0.07 -0.87 0.00 0.00 176.83 175.46 1dkq h LEU 249 N 0.00 0.33 -0.01 5.97 4.07 -1.59 0.73 115.31 124.82 1dkq h LEU 249 Ca 0.02 -0.15 -0.01 0.00 0.08 0.00 0.00 57.88 57.82 1dkq h LEU 249 Cb 0.09 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1dkq h LEU 249 CO -0.00 0.73 -0.04 -0.74 -1.08 0.00 0.00 178.44 177.31 1dkq h HIS 250 N 0.26 0.05 0.00 1.13 2.76 -0.92 -2.99 115.15 115.44 1dkq h HIS 250 Ca 0.02 -0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.13 1dkq h HIS 250 Cb 0.88 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.83 1dkq h HIS 250 CO 0.02 0.70 -0.16 -0.91 -1.30 0.00 0.00 177.93 176.28 1dkq h ASN 251 N -0.61 0.00 -0.51 3.26 2.35 -1.08 -2.56 115.58 116.43 1dkq h ASN 251 Ca -0.00 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 1dkq h ASN 251 Cb 0.70 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.06 1dkq h ASN 251 CO 0.01 0.16 -0.14 0.00 -1.65 0.00 0.00 177.43 175.81 1dkq h ALA 252 N 1.84 0.70 -0.34 -0.83 0.00 -0.85 -1.47 119.26 118.32 1dkq h ALA 252 Ca -0.00 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.39 1dkq h ALA 252 Cb 0.31 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1dkq h ALA 252 CO 0.02 0.63 -0.41 0.37 0.00 0.00 0.00 179.25 179.86 1dkq h GLN 253 N 0.85 0.85 -0.15 0.00 4.15 -1.32 -2.87 115.11 116.62 1dkq h GLN 253 Ca 0.13 -0.45 -0.08 0.00 0.77 0.00 0.00 58.65 59.02 1dkq h GLN 253 Cb 0.71 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.40 1dkq h GLN 253 CO 0.05 1.09 -0.24 0.74 -1.93 0.00 0.00 178.83 178.54 1dkq h PHE 254 N 0.69 0.30 -0.63 3.99 -1.00 -1.39 -0.73 116.94 118.17 1dkq h PHE 254 Ca 0.05 -0.05 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1dkq h PHE 254 Cb 0.99 -0.08 -0.03 0.00 3.61 0.00 0.00 35.95 40.44 1dkq h PHE 254 CO 0.06 0.51 0.36 -0.92 -1.61 0.00 0.00 178.31 176.70 1dkq h TYR 255 N 0.25 0.85 -0.01 -0.55 3.20 -1.11 0.11 116.97 119.70 1dkq h TYR 255 Ca 0.04 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 1dkq h TYR 255 Cb 0.57 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.57 1dkq h TYR 255 CO 0.01 0.59 -0.14 -0.07 -1.64 0.00 0.00 178.16 176.92 1dkq h LEU 256 N 0.85 0.14 0.00 2.82 4.07 -1.26 -3.19 115.31 118.74 1dkq h LEU 256 Ca 0.22 -0.75 -0.15 0.00 0.08 0.00 0.00 57.88 57.29 1dkq h LEU 256 Cb 0.01 -0.04 -0.03 0.00 1.08 0.00 0.00 40.66 41.68 1dkq h LEU 256 CO -0.04 0.86 -1.70 0.18 -1.08 0.00 0.00 178.44 176.66 1dkq n LEU 257 N -4.61 0.49 -0.03 1.67 4.77 -0.31 -4.21 117.00 114.78 1dkq n LEU 257 Ca -0.09 0.21 -0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1dkq n LEU 257 Cb 0.44 0.13 -0.07 0.00 -2.33 0.00 0.00 43.42 41.59 1dkq n LEU 257 CO 0.37 0.15 -0.71 0.00 -1.33 0.00 0.00 177.39 175.87 1dkq n GLN 258 N -2.69 1.61 0.03 3.23 1.13 0.24 -4.66 117.38 116.27 1dkq n GLN 258 Ca -0.12 -0.04 0.01 0.00 -1.94 0.00 0.00 57.00 54.92 1dkq n GLN 258 Cb 0.81 -1.22 -0.08 0.00 0.11 0.00 0.00 30.24 29.86 1dkq n GLN 258 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1dkq n ARG 259 N -2.10 0.63 -1.68 -1.09 1.74 -0.42 -3.40 116.66 110.33 1dkq n ARG 259 Ca -0.09 0.17 -0.50 0.00 -0.77 0.00 0.00 57.85 56.66 1dkq n ARG 259 Cb 0.55 -1.77 -0.05 0.00 -1.02 0.00 0.00 32.46 30.16 1dkq n ARG 259 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1dkq n THR 260 N -2.81 0.37 -0.33 0.55 -1.04 -1.21 -4.41 114.28 105.41 1dkq n THR 260 Ca -0.10 -0.07 0.12 0.00 -2.04 0.00 0.00 64.05 61.97 1dkq n THR 260 Cb 0.81 -1.58 0.30 0.00 -1.82 0.00 0.00 70.33 68.04 1dkq n THR 260 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1dkq h PRO 261 N 7.78 0.62 0.00 -2.82 0.11 -1.90 0.16 132.00 135.96 1dkq h PRO 261 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1dkq h PRO 261 Cb 1.28 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1dkq h PRO 261 CO 0.93 0.41 0.00 0.93 -0.21 0.00 0.00 178.00 180.06 1dkq h GLU 262 N 0.64 0.00 0.00 1.05 3.07 -1.95 -1.62 114.58 115.77 1dkq h GLU 262 Ca 0.55 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 59.20 1dkq h GLU 262 Cb 0.90 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.78 1dkq h GLU 262 CO -0.41 0.00 -1.63 0.28 -1.40 0.00 0.00 179.01 175.85 1dkq n VAL 263 N -2.44 0.96 -0.14 3.13 0.31 -0.42 -4.69 118.33 115.04 1dkq n VAL 263 Ca -0.01 -0.13 -0.04 0.00 -0.01 0.00 0.00 64.34 64.16 1dkq n VAL 263 Cb 0.09 -1.77 0.04 0.00 -0.91 0.00 0.00 33.84 31.29 1dkq n VAL 263 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dkq h ALA 264 N -0.56 0.44 -0.61 3.52 0.00 -0.65 -1.72 119.26 119.68 1dkq h ALA 264 Ca -0.32 0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.77 1dkq h ALA 264 Cb 1.20 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 1dkq h ALA 264 CO -0.20 -0.36 0.29 0.00 0.00 0.00 0.00 179.25 178.98 1dkq h ARG 265 N 0.15 0.51 -0.20 0.00 3.08 -1.53 0.90 114.38 117.29 1dkq h ARG 265 Ca 0.22 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 60.12 1dkq h ARG 265 Cb 0.31 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 1dkq h ARG 265 CO -0.33 0.34 -0.32 0.77 -1.07 0.00 0.00 179.97 179.35 1dkq h SER 266 N 0.52 0.64 0.28 7.04 0.02 -1.72 -2.76 113.55 117.56 1dkq h SER 266 Ca 0.29 -0.53 -0.06 0.00 -0.84 0.00 0.00 61.79 60.65 1dkq h SER 266 Cb 0.27 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1dkq h SER 266 CO -0.23 1.04 -0.29 -0.09 -1.14 0.00 0.00 176.83 176.12 1dkq h ARG 267 N 0.26 0.02 -0.24 3.45 2.43 -0.98 -2.99 114.38 116.33 1dkq h ARG 267 Ca 0.02 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1dkq h ARG 267 Cb 0.91 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 1dkq h ARG 267 CO 0.07 0.31 0.00 0.00 -1.51 0.00 0.00 179.97 178.85 1dkq n ALA 268 N -2.48 2.43 -0.04 2.80 0.00 0.28 -4.46 120.51 119.04 1dkq n ALA 268 Ca -0.02 -0.87 -0.09 0.00 0.00 0.00 0.00 53.44 52.46 1dkq n ALA 268 Cb 0.34 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 1dkq n ALA 268 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1dkq h THR 269 N 4.51 0.93 -0.60 0.00 2.02 -1.33 0.16 112.91 118.59 1dkq h THR 269 Ca 0.00 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1dkq h THR 269 Cb 0.98 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 1dkq h THR 269 CO 0.00 0.03 0.37 -0.65 0.37 0.00 0.00 175.52 175.63 1dkq h PRO 270 N 0.14 0.81 -0.19 6.66 0.11 -1.81 -0.76 132.00 136.96 1dkq h PRO 270 Ca 0.09 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 65.98 1dkq h PRO 270 Cb 0.07 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.00 1dkq h PRO 270 CO -0.10 0.56 -0.53 -0.07 -0.21 0.00 0.00 178.00 177.65 1dkq h LEU 271 N 0.83 0.62 -0.81 2.35 3.38 -1.58 -2.06 115.31 118.04 1dkq h LEU 271 Ca 0.22 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1dkq h LEU 271 Cb -0.04 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 1dkq h LEU 271 CO -0.04 1.03 0.35 -0.07 0.09 0.00 0.00 178.44 179.80 1dkq h LEU 272 N 0.43 1.09 -0.29 1.67 3.38 0.03 0.31 115.31 121.94 1dkq h LEU 272 Ca 0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1dkq h LEU 272 Cb 1.06 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1dkq h LEU 272 CO 0.10 0.94 0.09 0.44 0.09 0.00 0.00 178.44 180.10 1dkq h ASP 273 N 1.16 0.42 -0.27 -0.43 3.32 -0.99 -1.41 116.42 118.21 1dkq h ASP 273 Ca 0.27 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1dkq h ASP 273 Cb 0.17 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1dkq h ASP 273 CO -0.03 0.52 0.12 0.25 -1.72 0.00 0.00 179.24 178.38 1dkq h LEU 274 N 0.30 0.36 -0.55 1.55 6.46 -1.11 -1.71 115.31 120.61 1dkq h LEU 274 Ca 0.09 -0.14 -0.00 0.00 -0.12 0.00 0.00 57.88 57.71 1dkq h LEU 274 Cb 0.25 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.06 1dkq h LEU 274 CO -0.00 0.40 0.33 0.40 -0.62 0.00 0.00 178.44 178.95 1dkq h ILE 275 N 0.30 1.17 -0.12 4.05 2.04 -0.89 -1.21 117.51 122.85 1dkq h ILE 275 Ca 0.09 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1dkq h ILE 275 Cb 0.14 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1dkq h ILE 275 CO -0.01 0.17 0.05 0.50 0.00 0.00 0.00 178.15 178.86 1dkq h LYS 276 N 0.74 0.17 -0.23 2.37 3.64 -1.14 -1.72 116.57 120.41 1dkq h LYS 276 Ca 0.20 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.44 1dkq h LYS 276 Cb -0.01 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1dkq h LYS 276 CO -0.04 0.28 -0.29 0.00 -2.27 0.00 0.00 179.45 177.13 1dkq h THR 277 N 0.03 1.27 0.00 1.00 1.03 -1.23 -1.32 112.91 113.69 1dkq h THR 277 Ca 0.04 -1.34 -0.06 0.00 -0.01 0.00 0.00 66.41 65.04 1dkq h THR 277 Cb 0.17 1.42 -0.01 0.00 -1.07 0.00 0.00 68.15 68.66 1dkq h THR 277 CO -0.00 0.42 -0.31 0.00 -0.01 0.00 0.00 175.52 175.62 1dkq h ALA 278 N 1.29 1.20 -0.00 0.00 0.00 -1.09 -2.87 119.26 117.78 1dkq h ALA 278 Ca 0.05 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1dkq h ALA 278 Cb 0.72 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1dkq h ALA 278 CO 0.05 0.38 -0.73 1.28 0.00 0.00 0.00 179.25 180.24 1dkq n LEU 279 N -3.74 0.86 -4.62 0.00 4.77 -0.66 -4.54 117.00 109.07 1dkq n LEU 279 Ca -0.01 -0.30 -0.40 0.00 -0.03 0.00 0.00 56.01 55.27 1dkq n LEU 279 Cb 0.40 -0.11 -0.08 0.00 -2.33 0.00 0.00 43.42 41.31 1dkq n LEU 279 CO 0.36 0.20 0.23 -0.89 -1.33 0.00 0.00 177.39 175.96 1dkq s THR 280 N -2.95 5.07 0.21 -5.08 2.01 -0.53 -4.93 115.64 109.45 1dkq s THR 280 Ca 0.11 0.85 -0.32 0.00 0.31 0.00 0.00 61.69 62.64 1dkq s THR 280 Cb 0.17 -3.82 -0.12 0.00 0.01 0.00 0.00 72.50 68.73 1dkq s THR 280 CO 0.77 0.09 1.69 -2.65 -0.69 0.00 0.00 174.62 173.83 1dkq n PRO 281 N 5.53 2.67 -3.62 4.92 -0.02 -1.26 -4.78 135.00 138.44 1dkq n PRO 281 Ca -0.04 0.96 -0.02 0.00 -2.02 0.00 0.00 63.50 62.38 1dkq n PRO 281 Cb 0.50 -2.79 -0.01 0.00 -0.02 0.00 0.00 33.50 31.17 1dkq n PRO 281 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1dkq s HIS 282 N 1.06 -0.11 -0.19 6.00 -3.43 -1.26 -5.10 115.29 112.26 1dkq s HIS 282 Ca 0.75 -0.00 -0.33 0.00 -0.80 0.00 0.00 55.06 54.68 1dkq s HIS 282 Cb -0.53 0.55 -0.10 0.00 -1.43 0.00 0.00 32.58 31.07 1dkq s HIS 282 CO 0.34 -0.35 2.07 -0.35 -2.00 0.00 0.00 174.74 174.45 1dkq n PRO 283 N -0.33 1.86 -1.60 -0.38 -0.04 -1.26 -4.37 135.00 128.87 1dkq n PRO 283 Ca -0.05 0.60 -0.44 0.00 -0.04 0.00 0.00 63.50 63.57 1dkq n PRO 283 Cb 0.61 -2.79 -0.01 0.00 -0.04 0.00 0.00 33.50 31.27 1dkq n PRO 283 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1dkq n PRO 284 N 7.73 1.46 -3.61 0.54 -0.02 -1.26 -4.69 135.00 135.13 1dkq n PRO 284 Ca 0.30 0.51 -0.15 0.00 -2.02 0.00 0.00 63.50 62.14 1dkq n PRO 284 Cb 0.33 -1.91 -0.07 0.00 -0.02 0.00 0.00 33.50 31.83 1dkq n PRO 284 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1dkq s GLN 285 N -1.60 0.87 0.24 -0.52 -2.07 -0.51 -4.94 119.66 111.13 1dkq s GLN 285 Ca 0.58 0.86 -0.30 0.00 -1.82 0.00 0.00 55.36 54.68 1dkq s GLN 285 Cb -0.68 0.42 -0.09 0.00 -1.09 0.00 0.00 33.01 31.56 1dkq s GLN 285 CO 0.60 -0.14 1.33 0.21 -1.32 0.00 0.00 175.29 175.97 1dkq s LYS 286 N 0.10 4.37 0.00 9.60 2.20 -1.26 -2.33 119.74 132.42 1dkq s LYS 286 Ca -0.02 2.13 0.00 0.00 -0.36 0.00 0.00 55.97 57.72 1dkq s LYS 286 Cb -0.04 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 1dkq s LYS 286 CO 0.03 -0.26 0.00 0.00 -0.36 0.00 0.00 175.35 174.76 1dkq n GLN 287 N 2.11 0.00 -1.67 4.03 10.64 0.50 -4.94 117.38 128.05 1dkq n GLN 287 Ca 0.05 0.00 -0.44 0.00 -1.83 0.00 0.00 57.00 54.78 1dkq n GLN 287 Cb 0.42 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.78 1dkq n GLN 287 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1dkq n ALA 288 N -3.00 1.03 -1.00 2.61 0.00 -1.26 -0.99 120.51 117.90 1dkq n ALA 288 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1dkq n ALA 288 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.21 1dkq n ALA 288 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1dkq n TYR 289 N 1.16 0.00 -1.14 0.00 4.02 -1.26 -1.75 117.16 118.19 1dkq n TYR 289 Ca 0.09 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.93 1dkq n TYR 289 Cb 0.33 -1.52 -0.02 0.00 -0.02 0.00 0.00 39.34 38.11 1dkq n TYR 289 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1dkq n GLY 290 N 0.04 0.73 3.86 2.72 0.00 -0.16 -4.79 105.19 107.58 1dkq n GLY 290 Ca 0.00 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 1dkq n GLY 290 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dkq s VAL 291 N -2.07 5.11 -0.23 1.61 1.01 -0.72 -4.69 120.40 120.42 1dkq s VAL 291 Ca 0.00 0.54 -0.13 0.00 0.00 0.00 0.00 61.98 62.40 1dkq s VAL 291 Cb 0.00 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 1dkq s VAL 291 CO 0.00 0.40 0.25 -0.89 0.00 0.00 0.00 175.10 174.86 1dkq s THR 292 N -1.28 5.30 0.08 3.92 2.01 -1.26 -0.37 115.64 124.04 1dkq s THR 292 Ca 0.29 0.37 0.05 0.00 0.31 0.00 0.00 61.69 62.71 1dkq s THR 292 Cb -0.15 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 1dkq s THR 292 CO 0.16 0.30 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.50 1dkq s LEU 293 N 1.20 2.31 0.94 4.42 1.43 -0.98 -4.38 118.68 123.62 1dkq s LEU 293 Ca 0.12 -0.67 -0.12 0.00 -1.03 0.00 0.00 54.13 52.42 1dkq s LEU 293 Cb -0.14 -0.45 0.15 0.00 0.03 0.00 0.00 46.19 45.78 1dkq s LEU 293 CO 0.06 -0.13 1.12 -2.84 0.23 0.00 0.00 176.35 174.79 1dkq s PRO 294 N -2.04 0.93 0.21 1.29 0.02 -1.26 -1.42 135.00 132.73 1dkq s PRO 294 Ca 0.00 0.40 -0.06 0.00 0.02 0.00 0.00 61.00 61.36 1dkq s PRO 294 Cb -0.08 -1.80 0.02 0.00 0.02 0.00 0.00 34.50 32.66 1dkq s PRO 294 CO 0.02 -2.37 0.39 -2.37 -0.33 0.00 0.00 177.00 172.34 1dkq n THR 295 N -3.90 0.00 -0.02 0.99 5.66 -1.26 -4.76 114.28 110.99 1dkq n THR 295 Ca 0.06 -0.70 -0.13 0.00 -3.05 0.00 0.00 64.05 60.24 1dkq n THR 295 Cb 0.58 0.57 -0.10 0.00 -1.55 0.00 0.00 70.33 69.83 1dkq n THR 295 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1dkq h SER 296 N 1.10 -0.04 -3.73 1.09 0.02 -1.80 -3.43 113.55 106.77 1dkq h SER 296 Ca -0.18 -0.63 -0.42 0.00 -0.84 0.00 0.00 61.79 59.73 1dkq h SER 296 Cb 0.68 0.01 -0.31 0.00 0.14 0.00 0.00 62.40 62.92 1dkq h SER 296 CO 0.23 0.64 -0.78 -0.69 -1.14 0.00 0.00 176.83 175.09 1dkq s VAL 297 N -3.28 0.73 -0.11 2.27 1.01 -0.76 -0.56 120.40 119.70 1dkq s VAL 297 Ca -0.16 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.51 1dkq s VAL 297 Cb -0.00 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.73 1dkq s VAL 297 CO 0.62 0.24 -0.10 -0.22 0.00 0.00 0.00 175.10 175.64 1dkq s LEU 298 N 0.34 1.38 -0.18 3.92 2.96 -0.25 -0.57 118.68 126.28 1dkq s LEU 298 Ca -0.05 -0.33 -0.01 0.00 -0.22 0.00 0.00 54.13 53.51 1dkq s LEU 298 Cb -0.10 -0.90 -0.00 0.00 0.50 0.00 0.00 46.19 45.69 1dkq s LEU 298 CO 0.01 -0.07 -0.11 0.12 -1.32 0.00 0.00 176.35 174.97 1dkq s PHE 299 N 1.42 2.86 -0.25 5.38 2.19 -0.10 -0.04 117.98 129.44 1dkq s PHE 299 Ca 0.00 -1.05 -0.01 0.00 0.33 0.00 0.00 56.93 56.20 1dkq s PHE 299 Cb -0.13 -1.98 0.03 0.00 -1.31 0.00 0.00 43.02 39.62 1dkq s PHE 299 CO -0.06 -0.52 -0.06 0.42 1.83 0.00 0.00 175.22 176.82 1dkq s ILE 300 N 1.11 2.84 -0.59 3.12 1.01 0.11 -0.87 121.20 127.93 1dkq s ILE 300 Ca 0.01 -1.05 -0.22 0.00 0.00 0.00 0.00 60.65 59.39 1dkq s ILE 300 Cb -0.14 -2.45 0.06 0.00 0.01 0.00 0.00 42.46 39.94 1dkq s ILE 300 CO -0.03 0.19 0.87 0.00 0.00 0.00 0.00 174.94 175.97 1dkq s ALA 301 N 1.32 3.21 0.00 9.38 0.00 0.48 -0.77 121.76 135.37 1dkq s ALA 301 Ca -0.00 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.27 1dkq s ALA 301 Cb -0.17 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.26 1dkq s ALA 301 CO -0.05 -2.48 0.00 0.41 0.00 0.00 0.00 175.76 173.65 1dkq n GLY 302 N 5.23 5.07 3.44 0.00 0.00 0.17 -2.21 105.19 116.90 1dkq n GLY 302 Ca -0.03 -1.66 -0.22 0.00 0.00 0.00 0.00 46.02 44.11 1dkq n GLY 302 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1dkq s HIS 303 N 3.53 1.81 0.29 1.61 3.76 -1.26 -1.68 115.29 123.34 1dkq s HIS 303 Ca 0.00 -1.13 -0.00 0.00 -0.15 0.00 0.00 55.06 53.78 1dkq s HIS 303 Cb 0.00 -1.15 0.43 0.00 1.11 0.00 0.00 32.58 32.97 1dkq s HIS 303 CO 0.00 -0.18 1.83 0.38 -0.85 0.00 0.00 174.74 175.92 1dkq h ASP 304 N 2.05 0.72 -0.11 1.40 -0.00 -1.93 -2.23 116.42 116.32 1dkq h ASP 304 Ca -0.38 -0.13 -0.03 0.00 -0.00 0.00 0.00 57.03 56.49 1dkq h ASP 304 Cb 1.26 -0.19 -0.01 0.00 -0.00 0.00 0.00 39.33 40.38 1dkq h ASP 304 CO 0.63 0.73 -0.00 0.71 -0.00 0.00 0.00 179.24 181.30 1dkq h THR 305 N 0.74 1.14 -0.33 1.15 1.35 -1.96 -1.00 112.91 113.99 1dkq h THR 305 Ca 0.16 -0.53 -0.03 0.00 -0.55 0.00 0.00 66.41 65.47 1dkq h THR 305 Cb 0.31 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 67.69 1dkq h THR 305 CO 0.00 0.18 0.11 0.78 -0.25 0.00 0.00 175.52 176.33 1dkq h ASN 306 N 0.30 0.48 -0.47 5.36 -0.26 -1.75 0.35 115.58 119.60 1dkq h ASN 306 Ca 0.07 -0.20 -0.02 0.00 -0.56 0.00 0.00 56.30 55.59 1dkq h ASN 306 Cb 0.21 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.32 1dkq h ASN 306 CO 0.00 0.56 0.22 -0.07 -1.06 0.00 0.00 177.43 177.08 1dkq h LEU 307 N 0.38 0.62 -0.55 1.61 3.38 -1.19 -0.57 115.31 119.00 1dkq h LEU 307 Ca 0.11 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1dkq h LEU 307 Cb 0.25 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1dkq h LEU 307 CO -0.00 0.59 -0.02 0.00 0.09 0.00 0.00 178.44 179.09 1dkq h ALA 308 N 1.06 0.75 -0.80 1.53 0.00 -1.00 -0.75 119.26 120.05 1dkq h ALA 308 Ca 0.16 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1dkq h ALA 308 Cb 0.13 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1dkq h ALA 308 CO -0.02 0.59 0.38 -0.91 0.00 0.00 0.00 179.25 179.29 1dkq h ASN 309 N 0.87 1.06 -0.28 0.00 -0.26 -0.05 -1.10 115.58 115.82 1dkq h ASN 309 Ca 0.15 -0.14 -0.12 0.00 -0.56 0.00 0.00 56.30 55.64 1dkq h ASN 309 Cb 0.57 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.54 1dkq h ASN 309 CO 0.03 0.90 -0.25 -0.07 -1.06 0.00 0.00 177.43 176.99 1dkq h LEU 310 N 1.14 0.78 -0.49 1.61 3.38 -0.90 -0.57 115.31 120.25 1dkq h LEU 310 Ca 0.27 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1dkq h LEU 310 Cb 0.13 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1dkq h LEU 310 CO -0.03 0.99 0.16 1.23 0.09 0.00 0.00 178.44 180.88 1dkq h GLY 311 N 0.96 0.80 1.02 0.83 0.00 -0.72 -1.37 103.07 104.60 1dkq h GLY 311 Ca 0.09 -0.47 -0.11 0.00 0.00 0.00 0.00 47.33 46.84 1dkq h GLY 311 CO 0.06 0.44 -0.21 -1.33 0.00 0.00 0.00 176.54 175.50 1dkq h GLY 312 N 0.65 0.90 1.25 4.60 0.00 -1.06 0.37 103.07 109.78 1dkq h GLY 312 Ca 0.16 -0.82 -0.09 0.00 0.00 0.00 0.00 47.33 46.58 1dkq h GLY 312 CO -0.01 0.74 -0.03 0.00 0.00 0.00 0.00 176.54 177.25 1dkq h ALA 313 N 0.80 0.98 -0.02 3.60 0.00 -1.04 -3.05 119.26 120.53 1dkq h ALA 313 Ca 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1dkq h ALA 313 Cb 0.76 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1dkq h ALA 313 CO 0.06 0.62 -0.02 1.28 0.00 0.00 0.00 179.25 181.19 1dkq n LEU 314 N -4.19 2.02 -3.56 0.00 7.99 -0.52 -4.81 117.00 113.94 1dkq n LEU 314 Ca 0.02 -0.67 -0.20 0.00 -0.01 0.00 0.00 56.01 55.16 1dkq n LEU 314 Cb 0.34 -0.00 0.07 0.00 -0.11 0.00 0.00 43.42 43.71 1dkq n LEU 314 CO 0.43 0.34 0.06 -0.62 -1.51 0.00 0.00 177.39 176.08 1dkq n GLU 315 N 0.55 -6.07 -3.82 3.23 1.02 0.07 -4.32 120.64 111.30 1dkq n GLU 315 Ca 0.17 0.76 -0.36 0.00 -0.02 0.00 0.00 57.16 57.70 1dkq n GLU 315 Cb 0.44 -5.61 -0.13 0.00 -0.02 0.00 0.00 31.44 26.12 1dkq n GLU 315 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1dkq s LEU 316 N -6.58 3.42 0.04 -4.62 1.43 0.11 -3.19 118.68 109.29 1dkq s LEU 316 Ca 0.07 -0.51 0.07 0.00 -1.03 0.00 0.00 54.13 52.73 1dkq s LEU 316 Cb -0.03 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 1dkq s LEU 316 CO 0.76 -0.10 -0.19 0.20 0.23 0.00 0.00 176.35 177.26 1dkq s ASN 317 N 1.51 3.77 0.20 2.29 0.01 -1.26 -4.47 114.94 116.98 1dkq s ASN 317 Ca 0.04 -0.44 -0.23 0.00 -0.71 0.00 0.00 52.86 51.53 1dkq s ASN 317 Cb -0.16 -0.59 0.05 0.00 0.41 0.00 0.00 41.25 40.96 1dkq s ASN 317 CO 0.00 0.25 0.68 -1.66 -1.51 0.00 0.00 177.10 174.87 1dkq s TRP 318 N -0.92 -0.38 0.00 2.20 -2.14 -1.26 -4.87 118.94 111.58 1dkq s TRP 318 Ca 0.15 0.07 -0.00 0.00 2.66 0.00 0.00 56.10 58.97 1dkq s TRP 318 Cb -0.10 0.62 -0.01 0.00 -3.10 0.00 0.00 33.47 30.88 1dkq s TRP 318 CO 0.05 -0.98 -0.00 -0.08 -2.66 0.00 0.00 176.95 173.28 1dkq s THR 319 N -3.76 0.04 -0.39 0.66 -1.32 -1.26 -5.00 115.64 104.61 1dkq s THR 319 Ca 0.06 -0.31 -0.01 0.00 -1.21 0.00 0.00 61.69 60.21 1dkq s THR 319 Cb -0.03 -0.11 0.10 0.00 -1.51 0.00 0.00 72.50 70.96 1dkq s THR 319 CO -0.04 -0.17 0.16 -0.76 -2.21 0.00 0.00 174.62 171.60 1dkq s LEU 320 N -0.50 5.07 -0.09 9.08 1.43 -1.26 -4.99 118.68 127.42 1dkq s LEU 320 Ca -0.05 -2.00 -0.37 0.00 -1.03 0.00 0.00 54.13 50.68 1dkq s LEU 320 Cb -0.03 -1.78 -0.14 0.00 0.03 0.00 0.00 46.19 44.26 1dkq s LEU 320 CO -0.00 -0.49 1.71 -0.81 0.23 0.00 0.00 176.35 176.99 1dkq n PRO 321 N 4.53 1.68 0.00 1.29 -0.04 -1.26 -0.26 135.00 140.94 1dkq n PRO 321 Ca -0.02 0.61 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 1dkq n PRO 321 Cb 0.42 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 1dkq n PRO 321 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1dkq n GLY 322 N 3.91 0.93 2.87 0.55 0.00 -1.26 -4.88 105.19 107.32 1dkq n GLY 322 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 1dkq n GLY 322 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1dkq s GLN 323 N -0.75 1.17 0.61 1.61 2.00 0.64 -1.53 119.66 123.41 1dkq s GLN 323 Ca 0.00 -1.26 0.38 0.00 -2.00 0.00 0.00 55.36 52.48 1dkq s GLN 323 Cb 0.00 -2.51 1.97 0.00 0.80 0.00 0.00 33.01 33.27 1dkq s GLN 323 CO 0.00 -0.86 2.22 -1.00 -0.50 0.00 0.00 175.29 175.15 1dkq h PRO 324 N 7.92 0.00 -5.28 1.67 0.13 -1.92 -3.39 132.00 131.13 1dkq h PRO 324 Ca -0.12 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.37 1dkq h PRO 324 Cb 1.04 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.02 1dkq h PRO 324 CO 0.46 0.02 -0.03 0.34 -0.23 0.00 0.00 178.00 178.57 1dkq s ASP 325 N -5.51 6.34 0.56 1.44 -1.08 -1.26 -4.67 116.67 112.50 1dkq s ASP 325 Ca -0.03 0.08 0.24 0.00 -0.52 0.00 0.00 52.55 52.32 1dkq s ASP 325 Cb 0.12 -2.28 1.59 0.00 -1.46 0.00 0.00 42.92 40.89 1dkq s ASP 325 CO 0.48 -0.46 2.21 0.78 0.52 0.00 0.00 175.17 178.70 1dkq h ASN 326 N 8.39 0.00 -2.11 -0.34 2.35 -1.94 -3.08 115.58 118.86 1dkq h ASN 326 Ca -0.28 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 54.91 1dkq h ASN 326 Cb 1.13 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 39.09 1dkq h ASN 326 CO 0.77 0.00 -0.88 0.35 -1.65 0.00 0.00 177.43 176.02 1dkq n THR 327 N -4.14 1.00 -1.45 2.81 -2.24 -1.26 -4.91 114.28 104.09 1dkq n THR 327 Ca -0.03 -4.76 -0.33 0.00 -2.27 0.00 0.00 64.05 56.66 1dkq n THR 327 Cb 0.09 -1.61 0.08 0.00 -2.10 0.00 0.00 70.33 66.80 1dkq n THR 327 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1dkq s PRO 328 N -2.20 2.28 0.25 -0.78 0.04 -1.17 -4.79 135.00 128.64 1dkq s PRO 328 Ca 0.40 1.51 -0.31 0.00 0.04 0.00 0.00 61.00 62.64 1dkq s PRO 328 Cb 0.21 -1.87 -0.13 0.00 0.04 0.00 0.00 34.50 32.75 1dkq s PRO 328 CO -0.08 -1.68 1.50 -0.35 0.04 0.00 0.00 177.00 176.43 1dkq n PRO 329 N -2.89 2.31 0.00 0.56 -0.04 -1.26 -0.13 135.00 133.55 1dkq n PRO 329 Ca 0.11 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.40 1dkq n PRO 329 Cb 0.51 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 1dkq n PRO 329 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1dkq n GLY 330 N 2.33 2.88 3.63 0.55 0.00 -0.50 -4.80 105.19 109.28 1dkq n GLY 330 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1dkq n GLY 330 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dkq n GLY 331 N -2.00 0.03 3.04 -0.02 0.00 0.82 -4.57 105.19 102.49 1dkq n GLY 331 Ca 0.00 0.28 -0.28 0.00 0.00 0.00 0.00 46.02 46.02 1dkq n GLY 331 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dkq s GLU 332 N -1.78 2.09 -0.48 1.61 2.02 0.14 -1.36 118.70 120.94 1dkq s GLU 332 Ca 0.59 -0.51 -0.20 0.00 0.02 0.00 0.00 54.97 54.86 1dkq s GLU 332 Cb -0.62 -1.81 0.04 0.00 0.10 0.00 0.00 34.13 31.84 1dkq s GLU 332 CO 0.60 -0.08 0.66 -1.17 0.02 0.00 0.00 175.26 175.29 1dkq s LEU 333 N 1.04 4.68 -0.24 1.80 0.20 0.08 0.04 118.68 126.27 1dkq s LEU 333 Ca -0.06 -0.62 -0.10 0.00 0.69 0.00 0.00 54.13 54.04 1dkq s LEU 333 Cb -0.15 -2.60 -0.05 0.00 -0.43 0.00 0.00 46.19 42.97 1dkq s LEU 333 CO -0.02 -0.88 0.15 -0.69 -0.29 0.00 0.00 176.35 174.62 1dkq s VAL 334 N 2.84 5.17 -0.17 1.68 1.01 0.12 -1.46 120.40 129.60 1dkq s VAL 334 Ca 0.20 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.27 1dkq s VAL 334 Cb -0.16 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 1dkq s VAL 334 CO 0.16 0.33 -0.06 -0.36 0.00 0.00 0.00 175.10 175.17 1dkq s PHE 335 N 1.21 2.94 -0.01 5.22 0.08 0.37 -1.15 117.98 126.64 1dkq s PHE 335 Ca 0.07 -0.56 0.03 0.00 0.12 0.00 0.00 56.93 56.59 1dkq s PHE 335 Cb -0.14 -1.97 -0.01 0.00 -0.57 0.00 0.00 43.02 40.34 1dkq s PHE 335 CO 0.05 -0.22 -0.11 -1.21 -0.10 0.00 0.00 175.22 173.63 1dkq s GLU 336 N 0.66 0.97 -0.24 0.44 2.02 0.27 -0.29 118.70 122.53 1dkq s GLU 336 Ca -0.04 -0.39 -0.09 0.00 0.02 0.00 0.00 54.97 54.47 1dkq s GLU 336 Cb -0.15 -0.92 -0.04 0.00 0.10 0.00 0.00 34.13 33.12 1dkq s GLU 336 CO 0.02 0.22 0.11 0.50 0.02 0.00 0.00 175.26 176.13 1dkq s ARG 337 N -0.16 3.87 -0.05 1.61 3.52 0.08 -0.41 118.95 127.42 1dkq s ARG 337 Ca 0.02 -0.38 0.05 0.00 -0.13 0.00 0.00 55.73 55.29 1dkq s ARG 337 Cb -0.06 -3.41 -0.02 0.00 -1.56 0.00 0.00 34.95 29.90 1dkq s ARG 337 CO -0.00 -0.03 -0.18 -1.58 -0.81 0.00 0.00 175.30 172.70 1dkq s TRP 338 N 1.25 2.60 -0.19 5.12 0.52 0.13 -1.76 118.94 126.60 1dkq s TRP 338 Ca 0.06 -0.33 -0.06 0.00 0.02 0.00 0.00 56.10 55.79 1dkq s TRP 338 Cb -0.14 -1.62 -0.03 0.00 -1.15 0.00 0.00 33.47 30.53 1dkq s TRP 338 CO 0.05 0.06 0.04 0.50 0.02 0.00 0.00 176.95 177.61 1dkq s ARG 339 N -0.54 3.81 -0.33 4.98 3.52 0.15 -0.50 118.95 130.04 1dkq s ARG 339 Ca 0.07 -0.42 -0.29 0.00 -0.13 0.00 0.00 55.73 54.96 1dkq s ARG 339 Cb -0.11 -3.17 0.02 0.00 -1.56 0.00 0.00 34.95 30.13 1dkq s ARG 339 CO 0.01 0.15 1.09 0.50 -0.81 0.00 0.00 175.30 176.24 1dkq s ARG 340 N 0.69 4.03 0.29 5.12 3.52 -0.06 -0.26 118.95 132.27 1dkq s ARG 340 Ca 0.02 1.04 0.02 0.00 -0.13 0.00 0.00 55.73 56.68 1dkq s ARG 340 Cb -0.14 -3.76 0.59 0.00 -1.56 0.00 0.00 34.95 30.08 1dkq s ARG 340 CO 0.02 -0.95 1.82 -0.07 -0.81 0.00 0.00 175.30 175.31 1dkq h LEU 341 N 10.23 0.89 -0.36 -0.88 3.38 -0.98 0.55 115.31 128.14 1dkq h LEU 341 Ca -0.21 0.06 0.04 0.00 0.09 0.00 0.00 57.88 57.86 1dkq h LEU 341 Cb 1.06 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 1dkq h LEU 341 CO 1.04 0.45 -0.48 0.77 0.09 0.00 0.00 178.44 180.31 1dkq h SER 342 N 0.95 -1.60 0.00 -0.43 4.64 -1.92 -3.27 113.55 111.92 1dkq h SER 342 Ca 0.51 0.21 0.00 0.00 -0.47 0.00 0.00 61.79 62.04 1dkq h SER 342 Cb 0.57 0.66 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1dkq h SER 342 CO -0.29 -0.34 -0.02 -0.90 -0.87 0.00 0.00 176.83 174.41 1dkq n ASP 343 N -4.97 1.94 -3.26 4.97 3.85 -1.18 -5.00 116.55 112.91 1dkq n ASP 343 Ca -0.03 -2.39 -0.24 0.00 -0.71 0.00 0.00 54.79 51.43 1dkq n ASP 343 Cb 0.29 -0.18 0.04 0.00 -1.35 0.00 0.00 41.12 39.91 1dkq n ASP 343 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1dkq n ASN 344 N -0.83 -5.70 -4.88 -1.12 5.03 0.19 -4.99 115.26 102.97 1dkq n ASN 344 Ca 0.07 -0.39 -0.30 0.00 0.87 0.00 0.00 54.58 54.82 1dkq n ASN 344 Cb 0.44 -4.58 -0.04 0.00 -1.02 0.00 0.00 39.78 34.58 1dkq n ASN 344 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1dkq s SER 345 N -2.87 6.54 -0.12 6.41 1.04 -1.20 -4.80 113.70 118.71 1dkq s SER 345 Ca 0.40 1.07 -0.08 0.00 0.48 0.00 0.00 55.95 57.83 1dkq s SER 345 Cb -0.19 -2.30 -0.04 0.00 0.10 0.00 0.00 66.02 63.60 1dkq s SER 345 CO 0.50 -0.33 0.16 -1.10 0.98 0.00 0.00 173.24 173.45 1dkq s GLN 346 N -3.66 3.58 0.03 4.02 -1.52 -1.26 -0.88 119.66 119.96 1dkq s GLN 346 Ca 0.50 -0.10 0.01 0.00 -1.95 0.00 0.00 55.36 53.83 1dkq s GLN 346 Cb -0.10 -3.22 -0.02 0.00 -0.22 0.00 0.00 33.01 29.44 1dkq s GLN 346 CO 0.29 0.71 -0.05 -1.58 -0.25 0.00 0.00 175.29 174.40 1dkq s TRP 347 N -0.84 0.45 -0.13 0.91 0.52 0.34 -1.59 118.94 118.62 1dkq s TRP 347 Ca 0.15 -0.43 0.01 0.00 0.02 0.00 0.00 56.10 55.85 1dkq s TRP 347 Cb -0.12 -0.29 -0.01 0.00 -1.15 0.00 0.00 33.47 31.90 1dkq s TRP 347 CO 0.04 -0.11 -0.16 0.42 0.02 0.00 0.00 176.95 177.16 1dkq s ILE 348 N -1.18 2.70 -0.03 2.03 -1.09 0.23 0.18 121.20 124.04 1dkq s ILE 348 Ca -0.10 -0.78 0.05 0.00 -2.23 0.00 0.00 60.65 57.58 1dkq s ILE 348 Cb -0.08 -2.11 -0.03 0.00 -1.58 0.00 0.00 42.46 38.66 1dkq s ILE 348 CO -0.00 0.53 -0.16 -1.58 -1.23 0.00 0.00 174.94 172.50 1dkq s GLN 349 N 0.45 2.40 -0.04 2.79 0.74 0.45 -1.88 119.66 124.57 1dkq s GLN 349 Ca -0.12 -0.76 0.04 0.00 0.05 0.00 0.00 55.36 54.57 1dkq s GLN 349 Cb -0.16 -2.31 -0.00 0.00 1.10 0.00 0.00 33.01 31.64 1dkq s GLN 349 CO 0.05 0.61 -0.15 0.08 -0.55 0.00 0.00 175.29 175.33 1dkq s VAL 350 N -0.74 1.23 0.17 1.34 1.01 -1.26 -0.57 120.40 121.59 1dkq s VAL 350 Ca 0.12 -0.60 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 1dkq s VAL 350 Cb -0.10 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 1dkq s VAL 350 CO 0.01 0.36 0.30 -0.94 0.00 0.00 0.00 175.10 174.82 1dkq s SER 351 N 0.10 0.03 -0.27 3.32 1.04 -0.30 0.29 113.70 117.92 1dkq s SER 351 Ca -0.04 -0.89 0.01 0.00 0.48 0.00 0.00 55.95 55.51 1dkq s SER 351 Cb -0.11 0.45 0.05 0.00 0.10 0.00 0.00 66.02 66.51 1dkq s SER 351 CO 0.02 -0.91 -0.08 -0.22 0.98 0.00 0.00 173.24 173.03 1dkq s LEU 352 N -2.98 3.50 -0.19 2.42 1.98 0.33 0.10 118.68 123.85 1dkq s LEU 352 Ca 0.18 -1.28 -0.10 0.00 -2.89 0.00 0.00 54.13 50.05 1dkq s LEU 352 Cb 0.03 -1.61 -0.05 0.00 0.66 0.00 0.00 46.19 45.22 1dkq s LEU 352 CO 0.01 -0.20 0.15 -0.69 -1.89 0.00 0.00 176.35 173.73 1dkq s VAL 353 N 1.18 5.41 0.22 1.68 1.01 0.11 -1.29 120.40 128.71 1dkq s VAL 353 Ca -0.06 0.22 -0.16 0.00 0.00 0.00 0.00 61.98 61.98 1dkq s VAL 353 Cb -0.19 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.72 1dkq s VAL 353 CO -0.04 0.45 0.51 0.72 0.00 0.00 0.00 175.10 176.75 1dkq s PHE 354 N 0.22 0.06 -0.07 5.22 -0.12 -0.11 0.26 117.98 123.45 1dkq s PHE 354 Ca 0.09 -0.43 -0.03 0.00 -0.05 0.00 0.00 56.93 56.51 1dkq s PHE 354 Cb -0.11 0.33 -0.04 0.00 -0.63 0.00 0.00 43.02 42.57 1dkq s PHE 354 CO -0.01 -0.96 0.07 -0.65 -0.05 0.00 0.00 175.22 173.62 1dkq s GLN 355 N -3.93 3.17 0.76 1.99 -0.21 -1.26 0.68 119.66 120.85 1dkq s GLN 355 Ca 0.14 -0.34 -0.11 0.00 0.02 0.00 0.00 55.36 55.07 1dkq s GLN 355 Cb -0.01 -2.95 0.04 0.00 1.00 0.00 0.00 33.01 31.10 1dkq s GLN 355 CO 0.02 0.71 1.08 0.95 -2.12 0.00 0.00 175.29 175.93 1dkq s THR 356 N -1.03 3.52 0.53 -0.19 -4.23 -1.26 -4.83 115.64 108.15 1dkq s THR 356 Ca 0.17 0.49 0.18 0.00 -1.18 0.00 0.00 61.69 61.35 1dkq s THR 356 Cb -0.12 -3.15 0.28 0.00 1.34 0.00 0.00 72.50 70.86 1dkq s THR 356 CO 0.07 -0.64 2.16 0.25 -0.54 0.00 0.00 174.62 175.92 1dkq h LEU 357 N -0.98 0.00 -0.08 4.79 5.85 -1.65 -1.77 115.31 121.47 1dkq h LEU 357 Ca -0.45 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.09 1dkq h LEU 357 Cb 1.23 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.28 1dkq h LEU 357 CO 0.56 0.00 -0.65 -0.61 -0.34 0.00 0.00 178.44 177.40 1dkq h GLN 358 N 0.00 0.58 0.00 1.25 5.75 -1.91 -0.62 115.11 120.15 1dkq h GLN 358 Ca -0.00 -0.52 -0.00 0.00 -0.15 0.00 0.00 58.65 57.98 1dkq h GLN 358 Cb 0.00 0.12 -0.00 0.00 1.07 0.00 0.00 27.48 28.67 1dkq h GLN 358 CO 0.00 1.14 -0.01 1.96 -2.65 0.00 0.00 178.83 179.27 1dkq h GLN 359 N 0.19 0.00 -0.00 1.69 4.20 -1.70 0.25 115.11 119.74 1dkq h GLN 359 Ca -0.06 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1dkq h GLN 359 Cb 1.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.09 1dkq h GLN 359 CO 0.13 0.01 -0.08 0.52 -0.67 0.00 0.00 178.83 178.73 1dkq h MET 360 N 0.00 0.06 -0.23 1.46 2.86 -1.25 -0.41 114.93 117.41 1dkq h MET 360 Ca -0.00 -0.06 0.06 0.00 -2.06 0.00 0.00 59.70 57.63 1dkq h MET 360 Cb 0.01 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.63 1dkq h MET 360 CO 0.00 0.83 -0.13 -0.09 1.06 0.00 0.00 176.91 178.59 1dkq h ARG 361 N -0.69 -0.10 -0.04 1.72 9.65 -0.22 -0.95 114.38 123.76 1dkq h ARG 361 Ca -0.01 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1dkq h ARG 361 Cb 0.86 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.47 1dkq h ARG 361 CO 0.02 -0.07 0.00 -0.25 2.80 0.00 0.00 179.97 182.47 1dkq n ASP 362 N -5.29 0.56 -4.06 -3.80 8.00 0.81 -4.72 116.55 108.04 1dkq n ASP 362 Ca -0.01 -1.38 -0.28 0.00 0.71 0.00 0.00 54.79 53.83 1dkq n ASP 362 Cb 0.21 -0.02 -0.04 0.00 -0.02 0.00 0.00 41.12 41.25 1dkq n ASP 362 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1dkq n LYS 363 N -0.48 -2.28 -2.66 -1.24 4.81 -0.36 -4.86 118.16 111.09 1dkq n LYS 363 Ca 0.18 0.29 -0.42 0.00 -0.87 0.00 0.00 58.31 57.48 1dkq n LYS 363 Cb 0.17 -4.10 -0.03 0.00 0.02 0.00 0.00 35.03 31.09 1dkq n LYS 363 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1dkq s THR 364 N -4.06 4.71 0.32 3.15 -1.32 -0.22 -5.01 115.64 113.22 1dkq s THR 364 Ca 0.05 1.98 -0.29 0.00 -1.21 0.00 0.00 61.69 62.22 1dkq s THR 364 Cb -0.02 -4.27 -0.11 0.00 -1.51 0.00 0.00 72.50 66.59 1dkq s THR 364 CO 0.93 0.02 1.48 -2.16 -2.21 0.00 0.00 174.62 172.67 1dkq s PRO 365 N 1.96 4.18 0.07 7.08 0.04 -1.26 -4.95 135.00 142.11 1dkq s PRO 365 Ca 0.50 2.48 0.00 0.00 0.04 0.00 0.00 61.00 64.02 1dkq s PRO 365 Cb -0.19 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 1dkq s PRO 365 CO 0.19 -0.49 0.21 -0.51 0.04 0.00 0.00 177.00 176.44 1dkq s LEU 366 N -1.31 4.33 0.17 -3.56 1.43 -1.26 -4.87 118.68 113.62 1dkq s LEU 366 Ca 0.56 0.25 -0.24 0.00 -1.03 0.00 0.00 54.13 53.67 1dkq s LEU 366 Cb -0.45 -2.94 0.06 0.00 0.03 0.00 0.00 46.19 42.89 1dkq s LEU 366 CO 0.54 0.16 0.86 -0.94 0.23 0.00 0.00 176.35 177.19 1dkq s SER 367 N -2.57 -0.25 0.58 2.29 1.04 -0.62 -4.30 113.70 109.87 1dkq s SER 367 Ca 0.35 -0.39 0.28 0.00 0.48 0.00 0.00 55.95 56.66 1dkq s SER 367 Cb -0.13 0.56 1.62 0.00 0.10 0.00 0.00 66.02 68.17 1dkq s SER 367 CO 0.28 -1.01 2.09 -0.07 0.98 0.00 0.00 173.24 175.51 1dkq h LEU 368 N 2.00 0.00 0.15 2.42 3.38 -1.95 0.67 115.31 121.98 1dkq h LEU 368 Ca -0.23 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.43 1dkq h LEU 368 Cb 1.24 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.00 1dkq h LEU 368 CO 0.26 0.00 -1.44 0.78 0.09 0.00 0.00 178.44 178.13 1dkq h ASN 369 N 0.00 0.51 -2.16 -0.43 4.21 -2.00 -3.37 115.58 112.34 1dkq h ASN 369 Ca 0.10 -0.62 -0.58 0.00 1.21 0.00 0.00 56.30 56.41 1dkq h ASN 369 Cb 0.52 -0.17 -0.41 0.00 -1.12 0.00 0.00 38.32 37.14 1dkq h ASN 369 CO -0.00 1.50 -0.78 0.41 -1.29 0.00 0.00 177.43 177.27 1dkq n THR 370 N -3.54 1.69 -1.51 2.81 -1.04 0.01 -5.11 114.28 107.59 1dkq n THR 370 Ca -0.15 -5.02 -0.31 0.00 -2.04 0.00 0.00 64.05 56.54 1dkq n THR 370 Cb 1.05 -1.66 0.07 0.00 -1.82 0.00 0.00 70.33 67.97 1dkq n THR 370 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1dkq s PRO 371 N -2.51 2.63 0.90 -2.82 0.04 0.21 -1.59 135.00 131.87 1dkq s PRO 371 Ca 0.42 0.92 -0.13 0.00 0.04 0.00 0.00 61.00 62.24 1dkq s PRO 371 Cb 0.21 -1.96 0.14 0.00 0.04 0.00 0.00 34.50 32.93 1dkq s PRO 371 CO -0.07 -1.31 1.20 -1.25 0.04 0.00 0.00 177.00 175.60 1dkq s PRO 372 N -5.04 1.20 0.61 0.56 0.04 -1.26 -4.91 135.00 126.21 1dkq s PRO 372 Ca 0.59 0.03 -0.15 0.00 0.04 0.00 0.00 61.00 61.51 1dkq s PRO 372 Cb -0.15 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 1dkq s PRO 372 CO 0.55 -2.10 1.06 0.20 0.04 0.00 0.00 177.00 176.75 1dkq s GLY 373 N -4.45 2.09 -0.15 0.56 0.00 0.21 -4.85 107.32 100.74 1dkq s GLY 373 Ca 0.66 0.39 -0.09 0.00 0.00 0.00 0.00 44.72 45.68 1dkq s GLY 373 CO 0.52 0.71 0.37 1.85 0.00 0.00 0.00 173.10 176.55 1dkq s GLU 374 N -4.16 0.35 -0.16 2.90 2.12 -1.26 -0.94 118.70 117.56 1dkq s GLU 374 Ca 0.64 0.71 0.01 0.00 0.36 0.00 0.00 54.97 56.69 1dkq s GLU 374 Cb -0.16 -0.03 0.01 0.00 0.26 0.00 0.00 34.13 34.20 1dkq s GLU 374 CO 0.39 -0.15 -0.17 0.08 -0.54 0.00 0.00 175.26 174.87 1dkq s VAL 375 N 1.30 2.44 0.02 3.70 1.01 -0.41 -4.95 120.40 123.50 1dkq s VAL 375 Ca -0.09 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 60.75 1dkq s VAL 375 Cb -0.08 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 1dkq s VAL 375 CO -0.11 0.52 1.05 -0.54 0.00 0.00 0.00 175.10 176.02 1dkq s LYS 376 N 0.99 4.52 0.11 2.72 -0.14 -1.26 -0.51 119.74 126.16 1dkq s LYS 376 Ca -0.02 1.52 -0.01 0.00 -1.36 0.00 0.00 55.97 56.10 1dkq s LYS 376 Cb -0.15 -3.43 -0.05 0.00 -1.68 0.00 0.00 37.83 32.53 1dkq s LYS 376 CO -0.04 -0.11 0.29 -0.51 -0.76 0.00 0.00 175.35 174.21 1dkq s LEU 377 N 1.03 4.32 -0.16 3.17 1.02 0.15 -4.95 118.68 123.25 1dkq s LEU 377 Ca 0.54 0.38 0.00 0.00 0.02 0.00 0.00 54.13 55.07 1dkq s LEU 377 Cb -0.24 -3.09 -0.00 0.00 0.02 0.00 0.00 46.19 42.88 1dkq s LEU 377 CO 0.28 0.10 -0.15 0.28 0.02 0.00 0.00 176.35 176.89 1dkq s THR 378 N -1.61 2.66 -0.46 5.49 -1.32 -1.26 -4.48 115.64 114.66 1dkq s THR 378 Ca 0.37 -0.77 -0.28 0.00 -1.21 0.00 0.00 61.69 59.80 1dkq s THR 378 Cb -0.12 -2.13 0.01 0.00 -1.51 0.00 0.00 72.50 68.74 1dkq s THR 378 CO 0.27 0.51 1.48 -0.76 -2.21 0.00 0.00 174.62 173.91 1dkq s LEU 379 N 0.89 3.50 0.55 9.08 1.43 -1.26 -4.69 118.68 128.18 1dkq s LEU 379 Ca -0.04 0.67 0.28 0.00 -1.03 0.00 0.00 54.13 54.01 1dkq s LEU 379 Cb -0.15 -3.33 1.46 0.00 0.03 0.00 0.00 46.19 44.20 1dkq s LEU 379 CO -0.01 -1.60 1.96 0.00 0.23 0.00 0.00 176.35 176.92 1dkq h ALA 380 N 11.28 2.41 -0.44 4.21 0.00 -1.74 -1.88 119.26 133.10 1dkq h ALA 380 Ca -0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1dkq h ALA 380 Cb 1.11 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1dkq h ALA 380 CO 1.12 -0.72 0.00 0.41 0.00 0.00 0.00 179.25 180.05 1dkq n GLY 381 N -1.60 1.71 3.83 0.00 0.00 -1.26 -4.96 105.19 102.91 1dkq n GLY 381 Ca 0.10 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 1dkq n GLY 381 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dkq n GLU 383 N 0.95 0.16 -2.53 0.00 4.07 -1.26 -4.95 120.64 117.08 1dkq n GLU 383 Ca -0.05 0.07 -0.42 0.00 -0.06 0.00 0.00 57.16 56.70 1dkq n GLU 383 Cb 0.51 -0.80 -0.03 0.00 -0.06 0.00 0.00 31.44 31.07 1dkq n GLU 383 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1dkq s GLU 384 N -2.14 3.42 0.23 5.31 2.12 -1.26 -5.00 118.70 121.38 1dkq s GLU 384 Ca -0.11 0.24 0.11 0.00 0.36 0.00 0.00 54.97 55.56 1dkq s GLU 384 Cb 0.04 -4.06 -0.05 0.00 0.26 0.00 0.00 34.13 30.32 1dkq s GLU 384 CO 0.14 -1.81 -0.20 1.03 -0.54 0.00 0.00 175.26 173.88 1dkq s ARG 385 N 5.19 1.52 0.37 4.30 0.52 -1.26 -1.79 118.95 127.81 1dkq s ARG 385 Ca 0.44 -1.62 0.03 0.00 -0.52 0.00 0.00 55.73 54.06 1dkq s ARG 385 Cb -0.08 -1.62 0.07 0.00 0.52 0.00 0.00 34.95 33.83 1dkq s ARG 385 CO 0.24 0.32 0.51 0.27 0.02 0.00 0.00 175.30 176.66 1dkq n ASN 386 N -0.21 1.00 -0.01 0.23 0.23 -0.56 -4.91 115.26 111.03 1dkq n ASN 386 Ca -0.09 -1.77 0.12 0.00 -0.53 0.00 0.00 54.58 52.31 1dkq n ASN 386 Cb 0.59 -0.30 0.55 0.00 -2.08 0.00 0.00 39.78 38.53 1dkq n ASN 386 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1dkq h ALA 387 N -0.10 2.07 -0.01 -2.53 0.00 -2.02 -0.77 119.26 115.91 1dkq h ALA 387 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1dkq h ALA 387 Cb 0.70 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1dkq h ALA 387 CO 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 179.25 179.27 1dkq n GLN 388 N -4.46 1.18 -0.68 0.00 0.00 -1.26 -4.91 117.38 107.25 1dkq n GLN 388 Ca 0.07 -0.40 0.00 0.00 0.00 0.00 0.00 57.00 56.67 1dkq n GLN 388 Cb 0.34 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 29.09 1dkq n GLN 388 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1dkq n GLY 389 N 1.12 0.61 3.88 2.61 0.00 -0.29 -5.06 105.19 108.06 1dkq n GLY 389 Ca 0.20 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 1dkq n GLY 389 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1dkq s MET 390 N -0.99 3.73 0.14 1.61 -1.94 -1.26 -4.79 119.30 115.80 1dkq s MET 390 Ca 0.00 0.36 -0.12 0.00 -1.71 0.00 0.00 55.69 54.21 1dkq s MET 390 Cb 0.00 -2.44 -0.07 0.00 2.01 0.00 0.00 34.83 34.34 1dkq s MET 390 CO 0.00 -0.01 0.51 0.00 -0.01 0.00 0.00 175.02 175.52 1dkq s SER 392 N -1.83 4.63 0.20 0.00 1.04 -0.74 0.78 113.70 117.79 1dkq s SER 392 Ca 0.38 1.91 -0.11 0.00 0.48 0.00 0.00 55.95 58.62 1dkq s SER 392 Cb -0.14 -2.53 0.16 0.00 0.10 0.00 0.00 66.02 63.60 1dkq s SER 392 CO 0.19 -1.95 1.86 0.25 0.98 0.00 0.00 173.24 174.57 1dkq h LEU 393 N -0.75 0.78 -0.36 2.42 6.46 -1.62 0.82 115.31 123.07 1dkq h LEU 393 Ca -0.45 -0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.32 1dkq h LEU 393 Cb 1.24 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.96 1dkq h LEU 393 CO 0.52 0.56 0.19 0.00 -0.62 0.00 0.00 178.44 179.08 1dkq h ALA 394 N 1.28 0.44 -0.49 1.25 0.00 -1.91 0.33 119.26 120.16 1dkq h ALA 394 Ca 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1dkq h ALA 394 Cb -0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1dkq h ALA 394 CO -0.08 -0.17 0.25 0.78 0.00 0.00 0.00 179.25 180.03 1dkq h GLY 395 N 0.39 0.75 0.97 0.00 0.00 -1.71 -1.00 103.07 102.47 1dkq h GLY 395 Ca 0.15 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 1dkq h GLY 395 CO -0.09 0.34 0.18 -2.75 0.00 0.00 0.00 176.54 174.22 1dkq h PHE 396 N 0.65 0.81 -0.53 5.60 3.04 -0.50 -1.40 116.94 124.61 1dkq h PHE 396 Ca 0.17 -0.07 -0.03 0.00 3.98 0.00 0.00 57.97 62.02 1dkq h PHE 396 Cb 0.09 -0.24 -0.03 0.00 2.56 0.00 0.00 35.95 38.33 1dkq h PHE 396 CO -0.01 0.69 0.20 1.15 -2.02 0.00 0.00 178.31 178.32 1dkq h THR 397 N 0.70 1.20 -0.35 4.41 2.02 -0.09 -1.28 112.91 119.52 1dkq h THR 397 Ca 0.17 -0.62 -0.09 0.00 0.77 0.00 0.00 66.41 66.64 1dkq h THR 397 Cb 0.24 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1dkq h THR 397 CO -0.01 0.24 -0.12 -0.61 0.37 0.00 0.00 175.52 175.40 1dkq h GLN 398 N 0.76 0.69 -0.55 6.66 4.15 -0.79 -0.97 115.11 125.06 1dkq h GLN 398 Ca 0.18 -0.28 -0.02 0.00 0.77 0.00 0.00 58.65 59.30 1dkq h GLN 398 Cb 0.16 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 1dkq h GLN 398 CO -0.02 0.87 0.27 0.82 -1.93 0.00 0.00 178.83 178.84 1dkq h ILE 399 N 0.48 1.20 -0.39 2.39 2.04 -0.79 -0.82 117.51 121.62 1dkq h ILE 399 Ca 0.08 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 1dkq h ILE 399 Cb 0.63 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1dkq h ILE 399 CO 0.04 0.23 0.13 0.58 0.00 0.00 0.00 178.15 179.12 1dkq h VAL 400 N 0.74 1.21 -0.02 1.67 2.07 -1.19 -0.87 116.25 119.86 1dkq h VAL 400 Ca 0.19 -0.69 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 1dkq h VAL 400 Cb 0.11 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1dkq h VAL 400 CO -0.02 0.24 -0.16 0.78 0.02 0.00 0.00 177.57 178.42 1dkq h ASN 401 N 0.48 0.03 1.09 0.57 2.35 -0.91 -0.35 115.58 118.83 1dkq h ASN 401 Ca 0.13 -0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.71 1dkq h ASN 401 Cb 0.25 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 1dkq h ASN 401 CO -0.01 0.19 -0.96 -0.33 -1.65 0.00 0.00 177.43 174.68 1dkq h GLU 402 N 0.03 0.00 0.12 0.81 5.08 -0.89 -3.36 114.58 116.37 1dkq h GLU 402 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 1dkq h GLU 402 Cb 0.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1dkq h GLU 402 CO 0.02 0.56 -1.48 0.00 -1.00 0.00 0.00 179.01 177.11 1dkq h ALA 403 N 1.32 0.25 -2.48 3.43 0.00 -0.64 -3.47 119.26 117.67 1dkq h ALA 403 Ca -0.07 -1.08 -0.52 0.00 0.00 0.00 0.00 54.91 53.24 1dkq h ALA 403 Cb 1.58 0.24 0.13 0.00 0.00 0.00 0.00 17.79 19.74 1dkq h ALA 403 CO 0.08 1.12 0.36 -0.98 0.00 0.00 0.00 179.25 179.82 1dkq s ARG 404 N -2.62 2.38 -0.35 0.00 1.70 -0.19 -4.77 118.95 115.10 1dkq s ARG 404 Ca -0.08 1.46 -0.02 0.00 -0.47 0.00 0.00 55.73 56.62 1dkq s ARG 404 Cb 0.07 -1.89 0.08 0.00 -0.57 0.00 0.00 34.95 32.63 1dkq s ARG 404 CO 0.86 -1.59 0.10 0.42 -1.08 0.00 0.00 175.30 174.01 1dkq s ILE 405 N -2.37 3.14 0.30 4.99 -1.09 -1.26 -4.99 121.20 119.92 1dkq s ILE 405 Ca 0.68 -1.69 0.04 0.00 -2.23 0.00 0.00 60.65 57.45 1dkq s ILE 405 Cb -0.22 -2.98 0.35 0.00 -1.58 0.00 0.00 42.46 38.03 1dkq s ILE 405 CO 0.46 -0.38 1.61 -0.65 -1.23 0.00 0.00 174.94 174.75 1dkq h PRO 406 N 8.02 0.11 0.00 2.79 0.11 -1.95 0.55 132.00 141.63 1dkq h PRO 406 Ca -0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1dkq h PRO 406 Cb 1.06 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1dkq h PRO 406 CO 0.61 0.07 0.04 0.00 -0.21 0.00 0.00 178.00 178.51 1dkq h ALA 407 N 1.87 1.03 -0.27 -0.75 0.00 -1.97 -1.70 119.26 117.47 1dkq h ALA 407 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.51 1dkq h ALA 407 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1dkq h ALA 407 CO -0.76 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 178.45 1dkq s SER 409 N -1.48 5.66 0.00 0.00 1.04 -0.64 -4.20 113.70 114.09 1dkq s SER 409 Ca 0.32 1.81 0.29 0.00 0.48 0.00 0.00 55.95 58.85 1dkq s SER 409 Cb 0.20 -2.53 1.71 0.00 0.10 0.00 0.00 66.02 65.50 1dkq s SER 409 CO 0.28 -1.25 2.05 0.18 0.98 0.00 0.00 173.24 175.48