#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1k n GLU 2 N 0.00 0.86 -4.36 1.61 4.71 -1.26 -4.73 120.64 117.47 3h1k n GLU 2 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.16 56.90 3h1k n GLU 2 Cb 0.00 -1.32 -0.12 0.00 -1.01 0.00 0.00 31.44 28.99 3h1k n GLU 2 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 3h1k s LEU 3 N 0.00 2.39 0.33 -4.62 2.96 -1.26 -5.16 118.68 113.33 3h1k s LEU 3 Ca 0.00 -0.81 0.03 0.00 -0.22 0.00 0.00 54.13 53.13 3h1k s LEU 3 Cb 0.00 -1.02 -0.05 0.00 0.50 0.00 0.00 46.19 45.63 3h1k s LEU 3 CO 0.00 0.07 0.10 -1.83 -1.32 0.00 0.00 176.35 173.37 3h1k s GLU 4 N -2.46 1.68 -0.22 1.98 -1.05 -1.26 -4.89 118.70 112.49 3h1k s GLU 4 Ca 0.15 -1.96 0.00 0.00 -0.15 0.00 0.00 54.97 53.01 3h1k s GLU 4 Cb -0.08 -0.58 0.06 0.00 -0.44 0.00 0.00 34.13 33.08 3h1k s GLU 4 CO 0.07 -0.33 -0.05 -1.17 0.95 0.00 0.00 175.26 174.73 3h1k s LEU 5 N -3.48 2.28 -0.07 1.83 2.96 -1.26 -5.11 118.68 115.83 3h1k s LEU 5 Ca 0.33 -1.04 -0.30 0.00 -0.22 0.00 0.00 54.13 52.90 3h1k s LEU 5 Cb 0.06 -1.10 -0.02 0.00 0.50 0.00 0.00 46.19 45.63 3h1k s LEU 5 CO 0.15 -0.22 1.04 -1.00 -1.32 0.00 0.00 176.35 175.00 3h1k s HIS 6 N 1.47 3.50 0.52 5.38 3.76 -1.26 -4.77 115.29 123.88 3h1k s HIS 6 Ca -0.04 1.55 -0.22 0.00 -0.15 0.00 0.00 55.06 56.20 3h1k s HIS 6 Cb -0.18 -3.22 -0.06 0.00 1.11 0.00 0.00 32.58 30.23 3h1k s HIS 6 CO -0.07 -0.39 1.28 -0.35 -0.85 0.00 0.00 174.74 174.37 3h1k n PRO 7 N 4.73 1.66 -1.20 8.40 -0.04 -1.26 -5.01 135.00 142.28 3h1k n PRO 7 Ca 0.08 0.61 -0.30 0.00 -0.04 0.00 0.00 63.50 63.85 3h1k n PRO 7 Cb 0.49 -2.46 0.23 0.00 -0.04 0.00 0.00 33.50 31.71 3h1k n PRO 7 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3h1k s PRO 8 N -2.66 -0.90 -0.54 0.54 0.04 -1.26 -4.97 135.00 125.25 3h1k s PRO 8 Ca 0.69 -0.09 -0.05 0.00 0.04 0.00 0.00 61.00 61.59 3h1k s PRO 8 Cb -0.44 -1.64 0.14 0.00 0.04 0.00 0.00 34.50 32.60 3h1k s PRO 8 CO 0.52 -3.49 0.37 0.00 0.04 0.00 0.00 177.00 174.44 3h1k s ALA 9 N -3.13 3.45 0.30 8.56 0.00 -1.26 -4.82 121.76 124.87 3h1k s ALA 9 Ca 0.71 -2.90 -0.29 0.00 0.00 0.00 0.00 51.96 49.48 3h1k s ALA 9 Cb -0.09 -2.68 -0.10 0.00 0.00 0.00 0.00 23.12 20.25 3h1k s ALA 9 CO 0.56 -1.99 1.14 -0.06 0.00 0.00 0.00 175.76 175.41 3h1k s PHE 10 N 0.61 3.43 -1.32 0.00 0.40 -1.26 -4.92 117.98 114.91 3h1k s PHE 10 Ca 0.12 1.63 -0.18 0.00 -0.60 0.00 0.00 56.93 57.91 3h1k s PHE 10 Cb -0.21 -3.36 0.06 0.00 0.51 0.00 0.00 43.02 40.01 3h1k s PHE 10 CO -0.03 -0.85 1.83 -0.35 0.70 0.00 0.00 175.22 176.52 3h1k n PRO 11 N 0.97 3.06 -1.92 0.24 -0.04 -1.26 -4.98 135.00 131.07 3h1k n PRO 11 Ca -0.00 -3.12 -0.41 0.00 -0.04 0.00 0.00 63.50 59.93 3h1k n PRO 11 Cb 0.45 -3.47 -0.01 0.00 -0.04 0.00 0.00 33.50 30.43 3h1k n PRO 11 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3h1k s TRP 12 N 4.33 2.73 0.38 0.54 0.52 -1.26 -4.87 118.94 121.32 3h1k s TRP 12 Ca 0.53 1.28 0.20 0.00 0.02 0.00 0.00 56.10 58.13 3h1k s TRP 12 Cb 0.06 -3.87 1.19 0.00 -1.15 0.00 0.00 33.47 29.70 3h1k s TRP 12 CO 0.05 -2.55 1.68 0.66 0.02 0.00 0.00 176.95 176.81 3h1k h SER 13 N 2.99 0.42 -0.62 2.95 4.64 -1.93 0.11 113.55 122.11 3h1k h SER 13 Ca -0.50 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 3h1k h SER 13 Cb 1.24 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 3h1k h SER 13 CO 0.64 -0.10 0.00 0.00 -0.87 0.00 0.00 176.83 176.50 3h1k n HIS 14 N -4.85 1.67 0.68 4.77 -0.00 -1.24 -4.56 115.22 111.69 3h1k n HIS 14 Ca 0.32 -0.65 0.12 0.00 -0.00 0.00 0.00 57.72 57.51 3h1k n HIS 14 Cb 1.09 -0.33 0.47 0.00 -0.00 0.00 0.00 29.99 31.22 3h1k n HIS 14 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3h1k n GLY 15 N 0.94 -1.46 3.80 -1.39 0.00 0.39 -4.76 105.19 102.71 3h1k n GLY 15 Ca 0.26 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 3h1k n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h1k s GLY 16 N -3.31 2.69 0.62 -0.02 0.00 -1.26 -4.95 107.32 101.09 3h1k s GLY 16 Ca 0.10 0.24 0.28 0.00 0.00 0.00 0.00 44.72 45.34 3h1k s GLY 16 CO 0.49 0.63 1.88 -0.56 0.00 0.00 0.00 173.10 175.54 3h1k h PRO 17 N 3.57 0.00 -0.07 2.90 0.13 -2.00 0.14 132.00 136.68 3h1k h PRO 17 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3h1k h PRO 17 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3h1k h PRO 17 CO 0.65 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.70 3h1k n LEU 18 N -3.32 1.86 -4.56 1.56 4.77 -1.26 -4.80 117.00 111.25 3h1k n LEU 18 Ca 0.04 -1.28 -0.40 0.00 -0.03 0.00 0.00 56.01 54.34 3h1k n LEU 18 Cb 0.55 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 3h1k n LEU 18 CO 0.21 0.41 -0.04 -0.94 -1.33 0.00 0.00 177.39 175.70 3h1k s SER 19 N -0.70 6.13 0.59 -1.43 1.04 0.49 -4.99 113.70 114.84 3h1k s SER 19 Ca 0.10 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.39 3h1k s SER 19 Cb 0.06 -2.17 0.00 0.00 0.10 0.00 0.00 66.02 64.01 3h1k s SER 19 CO 0.09 -0.23 0.00 0.00 0.98 0.00 0.00 173.24 174.08 3h1k n ALA 20 N 5.25 0.00 -2.60 5.32 0.00 -1.26 -4.40 120.51 122.82 3h1k n ALA 20 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.96 3h1k n ALA 20 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.89 3h1k n ALA 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h1k s LEU 21 N 0.00 4.40 -1.14 0.00 1.43 -1.26 -3.62 118.68 118.49 3h1k s LEU 21 Ca 0.00 0.84 -0.22 0.00 -1.03 0.00 0.00 54.13 53.72 3h1k s LEU 21 Cb 0.00 -2.54 -0.00 0.00 0.03 0.00 0.00 46.19 43.68 3h1k s LEU 21 CO 0.00 0.24 1.78 -0.62 0.23 0.00 0.00 176.35 177.98 3h1k s ASP 22 N -0.53 5.92 0.48 2.29 2.15 -1.26 -4.78 116.67 120.93 3h1k s ASP 22 Ca 0.22 -1.70 0.32 0.00 0.43 0.00 0.00 52.55 51.82 3h1k s ASP 22 Cb -0.16 -2.58 1.42 0.00 -0.30 0.00 0.00 42.92 41.31 3h1k s ASP 22 CO 0.11 -2.10 1.71 0.45 -0.17 0.00 0.00 175.17 175.17 3h1k h HIS 23 N 9.32 0.32 -0.39 -5.34 3.86 -1.94 0.66 115.15 121.65 3h1k h HIS 23 Ca 0.27 0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.55 3h1k h HIS 23 Cb 0.94 -0.09 -0.05 0.00 1.06 0.00 0.00 27.41 29.27 3h1k h HIS 23 CO 1.30 -0.04 0.09 0.77 0.86 0.00 0.00 177.93 180.91 3h1k h SER 24 N 0.13 0.04 0.34 2.45 0.02 -1.91 -0.92 113.55 113.70 3h1k h SER 24 Ca 0.70 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.69 3h1k h SER 24 Cb 2.35 0.07 0.00 0.00 0.14 0.00 0.00 62.40 64.97 3h1k h SER 24 CO -0.20 0.06 -0.16 -1.28 -1.14 0.00 0.00 176.83 174.11 3h1k h SER 25 N 0.23 -0.39 -0.78 3.07 0.87 -0.08 -3.08 113.55 113.39 3h1k h SER 25 Ca 0.18 -0.10 0.15 0.00 -1.23 0.00 0.00 61.79 60.79 3h1k h SER 25 Cb 0.21 0.10 -0.15 0.00 -0.44 0.00 0.00 62.40 62.12 3h1k h SER 25 CO -0.23 -0.13 -0.26 0.58 -0.53 0.00 0.00 176.83 176.27 3h1k h VAL 26 N -0.65 0.16 -0.92 2.23 2.07 -1.07 0.62 116.25 118.69 3h1k h VAL 26 Ca -0.05 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.70 3h1k h VAL 26 Cb 0.46 0.16 -0.12 0.00 -1.52 0.00 0.00 31.29 30.27 3h1k h VAL 26 CO 0.08 0.00 0.44 -0.09 0.02 0.00 0.00 177.57 178.02 3h1k h ARG 27 N -0.04 0.44 0.25 1.57 2.43 -1.09 0.27 114.38 118.21 3h1k h ARG 27 Ca 0.35 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.48 3h1k h ARG 27 Cb 0.58 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 3h1k h ARG 27 CO -0.82 0.29 -0.12 0.00 -1.51 0.00 0.00 179.97 177.81 3h1k h ARG 28 N 0.45 -0.32 -1.05 0.20 3.08 0.05 -3.14 114.38 113.64 3h1k h ARG 28 Ca 0.58 0.02 0.42 0.00 0.07 0.00 0.00 59.98 61.07 3h1k h ARG 28 Cb 1.09 0.07 -0.17 0.00 0.08 0.00 0.00 29.97 31.05 3h1k h ARG 28 CO -0.51 -0.01 0.60 0.41 -1.07 0.00 0.00 179.97 179.39 3h1k n GLY 29 N 0.57 -0.75 0.23 0.04 0.00 0.11 0.11 105.19 105.50 3h1k n GLY 29 Ca -0.07 0.79 -0.10 0.00 0.00 0.00 0.00 46.02 46.64 3h1k n GLY 29 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3h1k h PHE 30 N 0.00 -0.51 -0.98 1.61 3.57 -0.48 -2.02 116.94 118.14 3h1k h PHE 30 Ca 0.84 0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.37 3h1k h PHE 30 Cb 2.32 0.24 -0.05 0.00 2.79 0.00 0.00 35.95 41.25 3h1k h PHE 30 CO -0.01 -0.27 0.63 1.96 -2.23 0.00 0.00 178.31 178.39 3h1k h GLN 31 N -0.27 1.30 -0.44 1.11 4.20 0.82 0.41 115.11 122.24 3h1k h GLN 31 Ca 0.08 -0.09 0.06 0.00 0.06 0.00 0.00 58.65 58.76 3h1k h GLN 31 Cb 0.39 -0.29 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 3h1k h GLN 31 CO -0.24 0.88 0.30 0.28 -0.67 0.00 0.00 178.83 179.38 3h1k h VAL 32 N 1.34 0.95 0.00 -0.54 2.07 -0.72 0.45 116.25 119.80 3h1k h VAL 32 Ca 0.36 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.76 3h1k h VAL 32 Cb -0.12 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3h1k h VAL 32 CO -0.07 0.06 -0.01 0.22 0.02 0.00 0.00 177.57 177.79 3h1k h TYR 33 N 0.34 0.00 -0.88 1.57 3.20 -0.51 -2.70 116.97 118.00 3h1k h TYR 33 Ca 0.20 0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.23 3h1k h TYR 33 Cb 0.34 0.00 -0.10 0.00 1.54 0.00 0.00 36.73 38.51 3h1k h TYR 33 CO -0.00 0.73 0.46 -0.22 -1.64 0.00 0.00 178.16 177.48 3h1k h LYS 34 N -1.00 0.60 -0.02 1.82 3.64 0.37 0.44 116.57 122.41 3h1k h LYS 34 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3h1k h LYS 34 Cb 0.73 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3h1k h LYS 34 CO -0.00 0.39 -0.14 1.04 -2.27 0.00 0.00 179.45 178.48 3h1k n GLN 35 N -4.88 1.83 0.10 1.90 6.02 0.15 -4.55 117.38 117.95 3h1k n GLN 35 Ca 0.19 -1.54 0.00 0.00 -0.01 0.00 0.00 57.00 55.64 3h1k n GLN 35 Cb 0.48 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 30.32 3h1k n GLN 35 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3h1k n VAL 36 N 0.83 0.46 0.07 5.09 0.31 -0.96 -4.92 118.33 119.22 3h1k n VAL 36 Ca 0.11 0.15 -0.07 0.00 -0.01 0.00 0.00 64.34 64.53 3h1k n VAL 36 Cb 0.51 -0.90 0.07 0.00 -0.91 0.00 0.00 33.84 32.62 3h1k n VAL 36 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h1k n SER 38 N -3.82 0.50 -0.01 0.00 3.41 0.14 0.07 113.62 113.92 3h1k n SER 38 Ca -0.03 -0.53 0.05 0.00 -0.26 0.00 0.00 58.87 58.10 3h1k n SER 38 Cb 0.68 -0.13 -0.11 0.00 -0.26 0.00 0.00 64.21 64.39 3h1k n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h1k n ALA 39 N 0.59 2.41 -0.09 7.33 0.00 -1.21 -4.64 120.51 124.89 3h1k n ALA 39 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.05 3h1k n ALA 39 Cb 0.10 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.13 3h1k n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h1k s HIS 41 N 0.00 2.92 0.25 0.00 3.76 0.11 -4.55 115.29 117.77 3h1k s HIS 41 Ca 0.00 -0.72 -0.06 0.00 -0.15 0.00 0.00 55.06 54.13 3h1k s HIS 41 Cb 0.00 -1.98 -0.06 0.00 1.11 0.00 0.00 32.58 31.65 3h1k s HIS 41 CO 0.00 -0.33 0.53 -1.54 -0.85 0.00 0.00 174.74 172.55 3h1k s SER 42 N 0.85 6.51 -0.36 1.40 1.04 -1.26 -4.08 113.70 117.79 3h1k s SER 42 Ca -0.02 0.76 0.13 0.00 0.48 0.00 0.00 55.95 57.30 3h1k s SER 42 Cb -0.15 -2.16 0.37 0.00 0.10 0.00 0.00 66.02 64.18 3h1k s SER 42 CO 0.01 -0.12 0.77 0.80 0.98 0.00 0.00 173.24 175.68 3h1k n MET 43 N -0.54 1.00 0.18 4.02 0.00 -1.26 0.90 117.12 121.41 3h1k n MET 43 Ca -0.01 -3.34 0.16 0.00 0.00 0.00 0.00 57.70 54.51 3h1k n MET 43 Cb 0.53 -1.62 0.60 0.00 0.00 0.00 0.00 33.22 32.74 3h1k n MET 43 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 3h1k h ASP 44 N 3.00 0.00 -0.48 6.12 3.32 -1.94 -2.60 116.42 123.83 3h1k h ASP 44 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3h1k h ASP 44 Cb 1.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.56 3h1k h ASP 44 CO 0.49 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.79 3h1k n TYR 45 N -3.13 0.63 -4.32 4.55 4.02 -1.26 -4.80 117.16 112.85 3h1k n TYR 45 Ca 0.05 -0.32 -0.23 0.00 -0.01 0.00 0.00 57.90 57.39 3h1k n TYR 45 Cb 0.73 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.97 3h1k n TYR 45 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3h1k s VAL 46 N -1.37 3.25 -0.03 -0.72 1.01 -0.98 -5.07 120.40 116.49 3h1k s VAL 46 Ca 0.38 -1.99 -0.16 0.00 0.00 0.00 0.00 61.98 60.22 3h1k s VAL 46 Cb 0.21 -2.76 0.03 0.00 0.00 0.00 0.00 36.38 33.85 3h1k s VAL 46 CO 0.28 -0.37 0.34 0.00 0.00 0.00 0.00 175.10 175.36 3h1k s ALA 47 N -2.37 -0.87 0.50 5.51 0.00 -1.26 -2.32 121.76 120.95 3h1k s ALA 47 Ca 0.32 0.48 0.32 0.00 0.00 0.00 0.00 51.96 53.08 3h1k s ALA 47 Cb -0.06 -0.00 1.44 0.00 0.00 0.00 0.00 23.12 24.50 3h1k s ALA 47 CO 0.19 -0.26 1.76 0.74 0.00 0.00 0.00 175.76 178.19 3h1k h PHE 48 N 3.98 0.22 -0.57 0.00 -1.00 -1.61 0.39 116.94 118.35 3h1k h PHE 48 Ca -0.29 0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.47 3h1k h PHE 48 Cb 1.17 -0.06 -0.03 0.00 3.61 0.00 0.00 35.95 40.64 3h1k h PHE 48 CO 0.50 -0.01 0.25 0.07 -1.61 0.00 0.00 178.31 177.51 3h1k h ARG 49 N 0.11 0.81 -0.80 1.51 0.11 -1.54 -2.37 114.38 112.22 3h1k h ARG 49 Ca 0.63 -0.11 0.17 0.00 0.10 0.00 0.00 59.98 60.76 3h1k h ARG 49 Cb 2.21 -0.15 -0.05 0.00 1.11 0.00 0.00 29.97 33.09 3h1k h ARG 49 CO -0.12 0.65 0.53 -0.91 0.10 0.00 0.00 179.97 180.22 3h1k h ASN 50 N 0.81 0.38 -0.41 0.08 2.35 -0.51 -1.62 115.58 116.66 3h1k h ASN 50 Ca 0.20 0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.95 3h1k h ASN 50 Cb 0.13 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 3h1k h ASN 50 CO -0.02 0.19 0.18 -0.07 -1.65 0.00 0.00 177.43 176.05 3h1k h LEU 51 N 0.40 0.60 -9.79 1.61 3.38 -1.51 -3.41 115.31 106.59 3h1k h LEU 51 Ca 0.40 -0.07 -0.54 0.00 0.09 0.00 0.00 57.88 57.76 3h1k h LEU 51 Cb 0.96 -0.15 0.21 0.00 0.09 0.00 0.00 40.66 41.76 3h1k h LEU 51 CO -0.13 0.55 -0.50 -0.38 0.09 0.00 0.00 178.44 178.07 3h1k n ILE 52 N -4.35 0.38 -0.21 1.22 5.41 -0.61 -0.60 119.36 120.61 3h1k n ILE 52 Ca 0.03 -0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.56 3h1k n ILE 52 Cb 0.16 -0.67 0.00 0.00 -0.71 0.00 0.00 39.64 38.42 3h1k n ILE 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3h1k n GLY 53 N 1.47 0.00 0.66 7.39 0.00 -1.14 -4.43 105.19 109.14 3h1k n GLY 53 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 3h1k n GLY 53 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3h1k n VAL 54 N -0.58 0.90 -0.60 1.61 0.31 -0.44 -4.94 118.33 114.60 3h1k n VAL 54 Ca 0.00 0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.60 3h1k n VAL 54 Cb 0.00 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.27 3h1k n VAL 54 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3h1k n THR 55 N -3.42 0.01 -4.07 2.52 -2.24 0.23 -4.89 114.28 102.42 3h1k n THR 55 Ca -0.04 -0.20 -0.11 0.00 -2.27 0.00 0.00 64.05 61.43 3h1k n THR 55 Cb 0.13 1.59 -0.07 0.00 -2.10 0.00 0.00 70.33 69.88 3h1k n THR 55 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3h1k s HIS 56 N -0.01 0.69 0.62 4.78 4.02 -0.97 -4.79 115.29 119.63 3h1k s HIS 56 Ca 0.00 -0.99 -0.07 0.00 1.02 0.00 0.00 55.06 55.01 3h1k s HIS 56 Cb 0.00 -0.08 0.01 0.00 -1.02 0.00 0.00 32.58 31.49 3h1k s HIS 56 CO 0.00 -0.90 0.95 0.99 1.02 0.00 0.00 174.74 176.80 3h1k s THR 57 N -3.95 3.65 0.30 1.30 2.01 -1.26 -2.90 115.64 114.78 3h1k s THR 57 Ca 0.29 0.13 0.30 0.00 0.31 0.00 0.00 61.69 62.72 3h1k s THR 57 Cb 0.02 -3.47 0.32 0.00 0.01 0.00 0.00 72.50 69.37 3h1k s THR 57 CO 0.11 -0.52 2.02 -0.08 -0.69 0.00 0.00 174.62 175.46 3h1k h GLU 58 N -0.29 0.00 0.27 4.92 4.81 -1.97 -2.12 114.58 120.21 3h1k h GLU 58 Ca -0.45 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.76 3h1k h GLU 58 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 3h1k h GLU 58 CO 0.61 0.11 -0.13 0.00 -0.73 0.00 0.00 179.01 178.87 3h1k h ALA 59 N 1.89 -0.41 -0.88 2.92 0.00 -2.00 -2.92 119.26 117.86 3h1k h ALA 59 Ca -0.00 -0.08 0.17 0.00 0.00 0.00 0.00 54.91 55.00 3h1k h ALA 59 Cb 0.45 0.14 -0.16 0.00 0.00 0.00 0.00 17.79 18.22 3h1k h ALA 59 CO 0.01 -0.39 -0.27 0.93 0.00 0.00 0.00 179.25 179.54 3h1k h GLU 60 N -0.93 -0.02 0.16 0.00 5.08 -1.89 -1.14 114.58 115.85 3h1k h GLU 60 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3h1k h GLU 60 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3h1k h GLU 60 CO 0.06 -0.01 -0.16 0.00 -1.00 0.00 0.00 179.01 177.90 3h1k h ALA 61 N 1.69 -0.32 -0.05 3.43 0.00 -1.50 1.09 119.26 123.60 3h1k h ALA 61 Ca 0.39 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.27 3h1k h ALA 61 Cb 0.63 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3h1k h ALA 61 CO -0.91 -0.70 -0.22 -0.22 0.00 0.00 0.00 179.25 177.20 3h1k h LYS 62 N -0.35 -0.23 -0.44 0.00 3.64 -1.02 0.93 116.57 119.10 3h1k h LYS 62 Ca 0.00 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.48 3h1k h LYS 62 Cb 0.34 0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 32.11 3h1k h LYS 62 CO -0.04 -0.15 -0.32 0.00 -2.27 0.00 0.00 179.45 176.67 3h1k h ALA 63 N -0.99 -0.13 -1.00 5.00 0.00 -1.28 0.32 119.26 121.19 3h1k h ALA 63 Ca 0.01 0.12 0.23 0.00 0.00 0.00 0.00 54.91 55.27 3h1k h ALA 63 Cb 0.27 0.70 -0.10 0.00 0.00 0.00 0.00 17.79 18.67 3h1k h ALA 63 CO -0.17 -0.70 0.63 1.25 0.00 0.00 0.00 179.25 180.25 3h1k h LEU 64 N -0.23 0.59 -0.02 0.00 6.46 0.23 0.63 115.31 122.98 3h1k h LEU 64 Ca 0.19 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 58.03 3h1k h LEU 64 Cb 0.53 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.45 3h1k h LEU 64 CO -0.56 0.17 0.00 0.00 -0.62 0.00 0.00 178.44 177.43 3h1k h ALA 65 N 1.64 1.00 0.00 1.25 0.00 0.46 -3.18 119.26 120.43 3h1k h ALA 65 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.48 3h1k h ALA 65 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3h1k h ALA 65 CO -0.33 0.00 -0.21 0.93 0.00 0.00 0.00 179.25 179.64 3h1k h GLU 66 N 0.00 0.00 0.00 0.00 5.08 0.23 -3.19 114.58 116.70 3h1k h GLU 66 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3h1k h GLU 66 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 3h1k h GLU 66 CO 0.00 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.40 3h1k n GLU 67 N -2.94 0.13 -4.41 2.33 1.02 -0.95 -4.26 120.64 111.56 3h1k n GLU 67 Ca 0.03 0.11 -0.26 0.00 -0.02 0.00 0.00 57.16 57.03 3h1k n GLU 67 Cb 0.53 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.33 3h1k n GLU 67 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h1k s VAL 68 N -2.27 2.27 -0.11 2.62 1.01 -1.22 -5.03 120.40 117.67 3h1k s VAL 68 Ca 0.07 -2.04 -0.01 0.00 0.00 0.00 0.00 61.98 60.00 3h1k s VAL 68 Cb 0.04 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 3h1k s VAL 68 CO 0.07 -0.17 -0.05 -1.61 0.00 0.00 0.00 175.10 173.34 3h1k s GLU 69 N -2.75 3.20 0.21 2.72 2.02 -1.26 -0.27 118.70 122.57 3h1k s GLU 69 Ca 0.20 -0.53 0.11 0.00 0.02 0.00 0.00 54.97 54.77 3h1k s GLU 69 Cb -0.07 -2.74 -0.05 0.00 0.10 0.00 0.00 34.13 31.37 3h1k s GLU 69 CO 0.10 0.46 -0.21 0.14 0.02 0.00 0.00 175.26 175.77 3h1k s VAL 70 N -0.25 2.24 -0.29 2.63 -7.23 0.19 -4.89 120.40 112.80 3h1k s VAL 70 Ca 0.04 -2.13 -0.16 0.00 -1.81 0.00 0.00 61.98 57.92 3h1k s VAL 70 Cb -0.13 -2.11 -0.03 0.00 0.56 0.00 0.00 36.38 34.67 3h1k s VAL 70 CO 0.02 -0.27 0.41 -1.58 -0.31 0.00 0.00 175.10 173.38 3h1k s GLN 71 N -2.99 3.91 0.00 4.82 0.74 -1.26 -1.48 119.66 123.39 3h1k s GLN 71 Ca 0.22 -0.00 0.00 0.00 0.05 0.00 0.00 55.36 55.63 3h1k s GLN 71 Cb -0.06 -3.70 0.00 0.00 1.10 0.00 0.00 33.01 30.35 3h1k s GLN 71 CO 0.10 -0.37 0.00 -3.47 -0.55 0.00 0.00 175.29 171.00 3h1k n ASP 72 N 5.43 1.34 0.00 6.67 4.64 -0.94 -4.99 116.55 128.71 3h1k n ASP 72 Ca -0.07 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.34 3h1k n ASP 72 Cb 0.50 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.58 3h1k n ASP 72 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3h1k n GLY 73 N 3.62 -1.82 3.65 0.27 0.00 -1.26 -2.95 105.19 106.70 3h1k n GLY 73 Ca 0.00 -1.86 -0.29 0.00 0.00 0.00 0.00 46.02 43.87 3h1k n GLY 73 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h1k s PRO 74 N 0.00 0.14 0.20 1.61 0.04 -1.26 -5.02 135.00 130.71 3h1k s PRO 74 Ca 0.00 0.48 0.03 0.00 0.04 0.00 0.00 61.00 61.55 3h1k s PRO 74 Cb 0.00 -1.71 0.03 0.00 0.04 0.00 0.00 34.50 32.87 3h1k s PRO 74 CO 0.00 -2.92 0.27 -0.40 0.04 0.00 0.00 177.00 173.99 3h1k n ASP 75 N -4.30 0.79 0.00 6.66 5.75 -0.82 -4.86 116.55 119.77 3h1k n ASP 75 Ca 0.05 -1.54 0.00 0.00 -0.01 0.00 0.00 54.79 53.29 3h1k n ASP 75 Cb 0.57 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 3h1k n ASP 75 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3h1k n GLU 76 N -1.40 0.00 -0.00 0.11 4.71 -1.26 0.00 120.64 122.80 3h1k n GLU 76 Ca 0.05 0.41 0.06 0.00 -0.01 0.00 0.00 57.16 57.68 3h1k n GLU 76 Cb 0.21 -1.57 -0.08 0.00 -1.01 0.00 0.00 31.44 28.98 3h1k n GLU 76 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3h1k n ASN 77 N -1.41 1.01 0.00 1.62 3.02 -1.26 -5.00 115.26 113.24 3h1k n ASN 77 Ca 0.00 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 53.98 3h1k n ASN 77 Cb 0.07 1.16 0.00 0.00 -0.61 0.00 0.00 39.78 40.41 3h1k n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h1k n GLY 78 N 1.43 2.47 3.77 7.41 0.00 0.10 -5.05 105.19 115.31 3h1k n GLY 78 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 3h1k n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h1k s GLU 79 N -0.80 3.45 0.44 1.61 0.41 -1.26 -4.43 118.70 118.11 3h1k s GLU 79 Ca 0.00 1.78 -0.17 0.00 -0.41 0.00 0.00 54.97 56.18 3h1k s GLU 79 Cb 0.00 -2.19 -0.09 0.00 -1.78 0.00 0.00 34.13 30.07 3h1k s GLU 79 CO 0.00 -0.81 0.90 -0.51 -0.49 0.00 0.00 175.26 174.35 3h1k s LEU 80 N -3.47 3.82 0.00 1.80 1.43 -1.26 -1.95 118.68 119.05 3h1k s LEU 80 Ca 0.69 1.49 0.07 0.00 -1.03 0.00 0.00 54.13 55.35 3h1k s LEU 80 Cb -0.29 -4.37 -0.03 0.00 0.03 0.00 0.00 46.19 41.54 3h1k s LEU 80 CO 0.33 -0.43 0.26 2.22 0.23 0.00 0.00 176.35 178.96 3h1k n PHE 81 N -1.06 -0.64 -4.21 0.29 -0.00 -1.15 -4.96 117.46 105.73 3h1k n PHE 81 Ca 0.05 -2.75 -0.27 0.00 -0.00 0.00 0.00 57.45 54.49 3h1k n PHE 81 Cb 0.54 0.24 -0.08 0.00 -0.00 0.00 0.00 39.48 40.18 3h1k n PHE 81 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.76 175.12 3h1k s MET 82 N -3.37 2.34 0.14 3.97 -1.94 -1.26 -2.21 119.30 116.97 3h1k s MET 82 Ca 0.36 -1.11 -0.19 0.00 -1.71 0.00 0.00 55.69 53.05 3h1k s MET 82 Cb 0.02 -2.34 0.05 0.00 2.01 0.00 0.00 34.83 34.57 3h1k s MET 82 CO 0.26 0.46 0.48 -0.98 -0.01 0.00 0.00 175.02 175.23 3h1k s ARG 83 N -2.84 1.16 0.29 2.03 1.70 -0.55 -4.94 118.95 115.79 3h1k s ARG 83 Ca 0.27 -0.61 -0.28 0.00 -0.47 0.00 0.00 55.73 54.63 3h1k s ARG 83 Cb -0.09 0.52 -0.09 0.00 -0.57 0.00 0.00 34.95 34.71 3h1k s ARG 83 CO 0.18 -0.48 0.97 -1.25 -1.08 0.00 0.00 175.30 173.65 3h1k s PRO 84 N -3.78 4.66 0.65 3.89 0.04 -1.26 0.55 135.00 139.74 3h1k s PRO 84 Ca 0.02 1.47 -0.17 0.00 0.04 0.00 0.00 61.00 62.36 3h1k s PRO 84 Cb 0.01 -3.01 -0.01 0.00 0.04 0.00 0.00 34.50 31.53 3h1k s PRO 84 CO -0.12 0.32 1.22 0.20 0.04 0.00 0.00 177.00 178.66 3h1k s GLY 85 N -1.34 2.63 0.16 0.56 0.00 0.63 -4.79 107.32 105.17 3h1k s GLY 85 Ca 0.47 1.00 0.06 0.00 0.00 0.00 0.00 44.72 46.25 3h1k s GLY 85 CO 0.30 1.41 -0.13 -1.59 0.00 0.00 0.00 173.10 173.09 3h1k s LYS 86 N -3.55 1.14 0.55 2.90 -2.85 -1.26 -3.51 119.74 113.17 3h1k s LYS 86 Ca 0.77 -1.44 0.35 0.00 -1.00 0.00 0.00 55.97 54.65 3h1k s LYS 86 Cb -0.31 -0.86 1.52 0.00 -2.06 0.00 0.00 37.83 36.12 3h1k s LYS 86 CO 0.39 0.14 1.81 -0.84 0.10 0.00 0.00 175.35 176.94 3h1k h ILE 87 N 2.90 0.41 0.00 3.79 3.07 -1.86 0.35 117.51 126.17 3h1k h ILE 87 Ca -0.38 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.03 3h1k h ILE 87 Cb 1.20 0.43 0.00 0.00 -0.27 0.00 0.00 36.82 38.18 3h1k h ILE 87 CO 0.60 0.00 0.00 -1.54 -1.05 0.00 0.00 178.15 176.16 3h1k n SER 88 N -4.12 0.05 -4.89 2.16 3.41 -1.26 -1.55 113.62 107.42 3h1k n SER 88 Ca 0.23 -1.69 -0.32 0.00 -0.26 0.00 0.00 58.87 56.83 3h1k n SER 88 Cb 1.17 -0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 65.05 3h1k n SER 88 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3h1k s ASP 89 N -1.09 6.19 0.06 4.04 1.01 0.12 -5.02 116.67 121.98 3h1k s ASP 89 Ca 0.00 0.24 -0.15 0.00 0.71 0.00 0.00 52.55 53.35 3h1k s ASP 89 Cb 0.00 -1.88 -0.06 0.00 1.01 0.00 0.00 42.92 41.99 3h1k s ASP 89 CO 0.00 0.20 0.47 -0.31 0.21 0.00 0.00 175.17 175.74 3h1k s TYR 90 N -1.43 3.70 -0.37 4.23 1.51 -1.26 -2.63 117.35 121.10 3h1k s TYR 90 Ca 0.32 1.03 -0.45 0.00 -1.01 0.00 0.00 57.07 56.96 3h1k s TYR 90 Cb -0.13 -2.33 -0.20 0.00 -0.11 0.00 0.00 41.96 39.20 3h1k s TYR 90 CO 0.24 0.57 1.48 1.19 -1.11 0.00 0.00 175.55 177.92 3h1k n PHE 91 N 1.44 1.51 -1.70 2.71 3.72 -0.98 -4.82 117.46 119.35 3h1k n PHE 91 Ca -0.10 1.10 -0.43 0.00 -0.05 0.00 0.00 57.45 57.97 3h1k n PHE 91 Cb 0.52 -2.21 -0.01 0.00 -0.94 0.00 0.00 39.48 36.84 3h1k n PHE 91 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3h1k n PRO 92 N 3.47 2.17 -2.79 -1.08 -0.02 -1.26 -4.52 135.00 130.97 3h1k n PRO 92 Ca 0.28 0.76 -0.37 0.00 -2.02 0.00 0.00 63.50 62.16 3h1k n PRO 92 Cb -0.02 -2.36 -0.06 0.00 -0.02 0.00 0.00 33.50 31.04 3h1k n PRO 92 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3h1k s LYS 93 N -1.79 4.55 0.13 -0.52 1.02 -1.26 -4.69 119.74 117.16 3h1k s LYS 93 Ca 0.56 1.30 0.26 0.00 0.02 0.00 0.00 55.97 58.11 3h1k s LYS 93 Cb -0.57 -2.74 0.69 0.00 -0.52 0.00 0.00 37.83 34.69 3h1k s LYS 93 CO 0.61 0.25 1.61 -2.30 -0.92 0.00 0.00 175.35 174.61 3h1k n PRO 94 N 0.45 0.21 -4.42 -1.68 -0.02 -1.26 -4.87 135.00 123.40 3h1k n PRO 94 Ca 0.02 0.12 -0.22 0.00 -2.02 0.00 0.00 63.50 61.40 3h1k n PRO 94 Cb 0.50 -1.69 -0.09 0.00 -0.02 0.00 0.00 33.50 32.21 3h1k n PRO 94 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3h1k s TYR 95 N -3.10 1.73 -0.23 6.00 1.51 -1.26 -5.00 117.35 117.00 3h1k s TYR 95 Ca 0.10 -1.34 0.17 0.00 -1.01 0.00 0.00 57.07 54.99 3h1k s TYR 95 Cb 0.14 -1.00 -0.24 0.00 -0.11 0.00 0.00 41.96 40.74 3h1k s TYR 95 CO 0.64 -0.43 0.47 -2.30 -1.11 0.00 0.00 175.55 172.82 3h1k n PRO 96 N -0.74 0.78 -3.64 -1.71 -0.02 -1.26 -5.01 135.00 123.40 3h1k n PRO 96 Ca -0.02 -0.12 -0.05 0.00 -2.02 0.00 0.00 63.50 61.30 3h1k n PRO 96 Cb 0.65 -1.38 -0.07 0.00 -0.02 0.00 0.00 33.50 32.68 3h1k n PRO 96 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3h1k s ASN 97 N -3.61 -0.34 0.17 2.55 2.20 -1.26 -5.06 114.94 109.59 3h1k s ASN 97 Ca -0.03 0.61 -0.11 0.00 -0.94 0.00 0.00 52.86 52.39 3h1k s ASN 97 Cb 0.11 0.76 0.21 0.00 -2.00 0.00 0.00 41.25 40.33 3h1k s ASN 97 CO 0.71 -0.10 1.10 -0.81 -2.94 0.00 0.00 177.10 175.05 3h1k n PRO 98 N 2.43 -0.14 -0.45 3.55 -0.04 -1.26 0.11 135.00 139.20 3h1k n PRO 98 Ca -0.13 1.09 0.37 0.00 -0.04 0.00 0.00 63.50 64.79 3h1k n PRO 98 Cb 0.56 -1.62 0.65 0.00 -0.04 0.00 0.00 33.50 33.06 3h1k n PRO 98 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3h1k h GLU 99 N 0.00 0.08 0.02 0.54 3.07 -2.00 0.16 114.58 116.45 3h1k h GLU 99 Ca 0.27 -0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.06 3h1k h GLU 99 Cb 0.44 -0.02 0.01 0.00 -0.84 0.00 0.00 28.75 28.34 3h1k h GLU 99 CO -0.71 0.05 -0.24 0.00 -1.40 0.00 0.00 179.01 176.71 3h1k h ALA 100 N 1.59 0.00 -0.13 3.43 0.00 0.40 -3.12 119.26 121.43 3h1k h ALA 100 Ca 0.82 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 55.27 3h1k h ALA 100 Cb 2.60 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 20.38 3h1k h ALA 100 CO -0.41 0.08 -0.09 0.00 0.00 0.00 0.00 179.25 178.83 3h1k h ALA 101 N 0.16 0.01 -0.78 0.00 0.00 -0.65 -0.53 119.26 117.47 3h1k h ALA 101 Ca -0.04 0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.10 3h1k h ALA 101 Cb 1.07 0.20 -0.12 0.00 0.00 0.00 0.00 17.79 18.94 3h1k h ALA 101 CO 0.05 -0.54 0.18 0.00 0.00 0.00 0.00 179.25 178.94 3h1k h ARG 102 N -0.09 0.24 -0.98 0.00 3.08 -1.14 0.19 114.38 115.68 3h1k h ARG 102 Ca 0.08 -0.01 0.20 0.00 0.07 0.00 0.00 59.98 60.31 3h1k h ARG 102 Cb 0.21 -0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.11 3h1k h ARG 102 CO -0.18 0.16 0.61 0.00 -1.07 0.00 0.00 179.97 179.49 3h1k h ALA 103 N 1.66 1.89 -0.85 0.04 0.00 -1.04 -0.95 119.26 120.02 3h1k h ALA 103 Ca 0.45 0.05 -0.54 0.00 0.00 0.00 0.00 54.91 54.87 3h1k h ALA 103 Cb 0.81 -0.06 -0.29 0.00 0.00 0.00 0.00 17.79 18.25 3h1k h ALA 103 CO -0.56 -0.23 0.38 0.00 0.00 0.00 0.00 179.25 178.84 3h1k n ALA 104 N -2.40 5.63 -1.98 0.00 0.00 0.65 -4.30 120.51 118.11 3h1k n ALA 104 Ca 0.22 -3.36 0.00 0.00 0.00 0.00 0.00 53.44 50.30 3h1k n ALA 104 Cb 0.63 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3h1k n ALA 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3h1k n ASN 105 N -0.97 0.00 -1.80 0.00 3.02 -0.81 -5.04 115.26 109.66 3h1k n ASN 105 Ca 0.54 -0.99 -0.03 0.00 -0.03 0.00 0.00 54.58 54.08 3h1k n ASN 105 Cb 1.00 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 40.18 3h1k n ASN 105 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3h1k n ASN 106 N 0.00 -2.79 0.00 6.41 3.02 -0.62 -3.72 115.26 117.55 3h1k n ASN 106 Ca 0.00 -0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 3h1k n ASN 106 Cb 0.37 -1.32 0.00 0.00 -0.61 0.00 0.00 39.78 38.21 3h1k n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h1k n GLY 107 N -1.44 2.22 3.76 7.41 0.00 -0.46 -4.95 105.19 111.73 3h1k n GLY 107 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3h1k n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1k s ALA 108 N -0.10 3.60 -0.38 4.61 0.00 -1.24 -4.72 121.76 123.52 3h1k s ALA 108 Ca 0.00 1.41 -0.01 0.00 0.00 0.00 0.00 51.96 53.36 3h1k s ALA 108 Cb 0.00 -3.56 0.10 0.00 0.00 0.00 0.00 23.12 19.66 3h1k s ALA 108 CO 0.00 -0.83 0.14 -1.17 0.00 0.00 0.00 175.76 173.91 3h1k s LEU 109 N -1.18 4.98 -0.60 0.00 2.96 -1.26 -3.72 118.68 119.86 3h1k s LEU 109 Ca 0.56 -1.98 -0.26 0.00 -0.22 0.00 0.00 54.13 52.22 3h1k s LEU 109 Cb -0.43 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 3h1k s LEU 109 CO 0.51 -0.47 1.99 -2.16 -1.32 0.00 0.00 176.35 174.90 3h1k s PRO 110 N 1.09 2.49 0.53 0.98 0.04 -1.26 -4.93 135.00 133.95 3h1k s PRO 110 Ca 0.07 0.75 -0.21 0.00 0.04 0.00 0.00 61.00 61.66 3h1k s PRO 110 Cb -0.21 -4.46 -0.07 0.00 0.04 0.00 0.00 34.50 29.80 3h1k s PRO 110 CO -0.05 -2.90 0.97 -0.35 0.04 0.00 0.00 177.00 174.72 3h1k n PRO 111 N 9.14 1.09 -1.88 0.56 -0.04 -1.26 -4.59 135.00 138.01 3h1k n PRO 111 Ca 0.25 0.41 -0.41 0.00 -0.04 0.00 0.00 63.50 63.71 3h1k n PRO 111 Cb 0.52 -2.12 -0.00 0.00 -0.04 0.00 0.00 33.50 31.86 3h1k n PRO 111 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3h1k s ASP 112 N -1.04 6.32 -0.27 3.54 -1.08 -1.26 -4.40 116.67 118.47 3h1k s ASP 112 Ca 0.70 2.92 0.12 0.00 -0.52 0.00 0.00 52.55 55.78 3h1k s ASP 112 Cb -0.46 -2.66 0.79 0.00 -1.46 0.00 0.00 42.92 39.13 3h1k s ASP 112 CO 0.51 -0.88 1.77 0.18 0.52 0.00 0.00 175.17 177.27 3h1k n LEU 113 N 0.35 5.87 0.27 -1.34 4.77 0.26 -4.43 117.00 122.76 3h1k n LEU 113 Ca 0.02 -3.01 -0.11 0.00 -0.03 0.00 0.00 56.01 52.88 3h1k n LEU 113 Cb 0.41 -0.71 -0.05 0.00 -2.33 0.00 0.00 43.42 40.73 3h1k n LEU 113 CO 0.61 0.69 0.37 0.28 -1.33 0.00 0.00 177.39 178.02 3h1k h SER 114 N 3.46 -0.61 -0.42 -1.43 0.02 -1.89 -3.32 113.55 109.36 3h1k h SER 114 Ca 0.11 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3h1k h SER 114 Cb 2.12 0.16 0.00 0.00 0.14 0.00 0.00 62.40 64.82 3h1k h SER 114 CO 0.59 -0.33 0.00 -1.22 -1.14 0.00 0.00 176.83 174.74 3h1k n TYR 115 N -4.58 0.54 -0.34 3.45 4.02 -1.26 -3.27 117.16 115.72 3h1k n TYR 115 Ca -0.09 -0.27 0.02 0.00 -0.01 0.00 0.00 57.90 57.55 3h1k n TYR 115 Cb 0.29 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.69 3h1k n TYR 115 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 176.86 177.36 3h1k n ILE 116 N 1.37 -0.44 -0.11 -0.72 0.13 -1.25 -1.17 119.36 117.18 3h1k n ILE 116 Ca 0.20 2.13 -0.05 0.00 -1.10 0.00 0.00 62.75 63.92 3h1k n ILE 116 Cb 0.57 -2.88 0.02 0.00 -0.84 0.00 0.00 39.64 36.51 3h1k n ILE 116 CO 0.00 0.00 0.00 -0.37 2.80 0.00 0.00 176.55 178.98 3h1k h VAL 117 N 0.00 0.69 0.00 9.51 -1.51 -1.84 0.13 116.25 123.23 3h1k h VAL 117 Ca 0.38 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.83 3h1k h VAL 117 Cb 0.61 0.62 0.00 0.00 -2.13 0.00 0.00 31.29 30.39 3h1k h VAL 117 CO -0.93 0.01 0.00 0.59 -1.23 0.00 0.00 177.57 176.01 3h1k n ASN 118 N -5.22 0.00 0.02 4.19 3.02 -0.31 -3.02 115.26 113.93 3h1k n ASN 118 Ca 0.02 -1.12 0.11 0.00 -0.03 0.00 0.00 54.58 53.56 3h1k n ASN 118 Cb 0.20 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.31 3h1k n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h1k n ALA 119 N -0.91 3.32 -2.43 5.41 0.00 0.39 -4.91 120.51 121.38 3h1k n ALA 119 Ca 0.19 -0.45 -0.30 0.00 0.00 0.00 0.00 53.44 52.88 3h1k n ALA 119 Cb 0.09 -0.89 -0.13 0.00 0.00 0.00 0.00 19.45 18.52 3h1k n ALA 119 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h1k s ARG 120 N -3.29 1.81 0.38 0.00 1.81 -0.92 -5.05 118.95 113.71 3h1k s ARG 120 Ca 0.00 -1.13 -0.27 0.00 -1.72 0.00 0.00 55.73 52.61 3h1k s ARG 120 Cb 0.14 -2.07 -0.09 0.00 -0.45 0.00 0.00 34.95 32.47 3h1k s ARG 120 CO 0.84 0.50 1.35 -1.01 -0.68 0.00 0.00 175.30 176.30 3h1k s HIS 121 N -0.99 2.81 0.00 -0.53 3.76 -1.26 -2.14 115.29 116.93 3h1k s HIS 121 Ca 0.15 1.36 0.00 0.00 -0.15 0.00 0.00 55.06 56.42 3h1k s HIS 121 Cb -0.10 -3.76 0.00 0.00 1.11 0.00 0.00 32.58 29.83 3h1k s HIS 121 CO 0.06 -2.26 0.00 0.41 -0.85 0.00 0.00 174.74 172.10 3h1k n GLY 122 N 0.66 0.86 3.75 -2.22 0.00 -1.26 -4.66 105.19 102.32 3h1k n GLY 122 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3h1k n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1k n GLY 123 N -2.24 1.04 0.35 -0.02 0.00 -0.91 -0.65 105.19 102.76 3h1k n GLY 123 Ca 0.00 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.06 3h1k n GLY 123 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3h1k h GLU 124 N 0.00 0.77 -1.00 1.61 9.09 -1.92 0.56 114.58 123.70 3h1k h GLU 124 Ca 0.00 -0.05 0.18 0.00 0.05 0.00 0.00 59.36 59.54 3h1k h GLU 124 Cb 0.00 -0.17 -0.10 0.00 -1.65 0.00 0.00 28.75 26.83 3h1k h GLU 124 CO 0.00 0.51 0.62 -0.44 0.05 0.00 0.00 179.01 179.75 3h1k h ASP 125 N 0.79 0.79 0.01 3.06 3.45 -1.63 0.76 116.42 123.65 3h1k h ASP 125 Ca 0.55 0.08 -0.00 0.00 0.43 0.00 0.00 57.03 58.09 3h1k h ASP 125 Cb 0.78 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.49 3h1k h ASP 125 CO -0.36 0.31 -0.00 0.22 -1.57 0.00 0.00 179.24 177.84 3h1k h TYR 126 N 0.79 -0.01 0.00 4.55 3.20 0.22 -3.12 116.97 122.60 3h1k h TYR 126 Ca 0.56 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.43 3h1k h TYR 126 Cb 0.84 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.12 3h1k h TYR 126 CO -0.00 0.68 0.08 0.28 -1.64 0.00 0.00 178.16 177.55 3h1k h VAL 127 N -0.99 0.00 0.00 1.81 2.07 0.35 -2.21 116.25 117.28 3h1k h VAL 127 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3h1k h VAL 127 Cb 0.69 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3h1k h VAL 127 CO 0.00 0.00 0.00 0.33 0.02 0.00 0.00 177.57 177.92 3h1k n PHE 128 N -3.00 0.00 -0.56 1.57 7.35 0.26 -3.65 117.46 119.42 3h1k n PHE 128 Ca -0.03 0.00 0.44 0.00 -0.76 0.00 0.00 57.45 57.10 3h1k n PHE 128 Cb 0.14 -0.35 0.70 0.00 0.35 0.00 0.00 39.48 40.32 3h1k n PHE 128 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 3h1k n SER 129 N -1.55 0.09 0.32 -2.13 7.64 -1.11 -0.11 113.62 116.77 3h1k n SER 129 Ca 0.00 1.09 -0.16 0.00 1.01 0.00 0.00 58.87 60.81 3h1k n SER 129 Cb 0.00 -0.54 -0.08 0.00 -1.01 0.00 0.00 64.21 62.58 3h1k n SER 129 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3h1k h LEU 130 N 0.00 -0.69 0.18 -3.43 5.85 -1.52 -3.15 115.31 112.55 3h1k h LEU 130 Ca 0.85 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 59.54 3h1k h LEU 130 Cb 3.11 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 44.32 3h1k h LEU 130 CO -0.20 -0.38 -0.15 -0.07 -0.34 0.00 0.00 178.44 177.30 3h1k h LEU 131 N -1.01 -0.41 -7.76 2.25 3.38 -0.58 -3.20 115.31 107.98 3h1k h LEU 131 Ca -0.08 0.03 -0.59 0.00 0.09 0.00 0.00 57.88 57.33 3h1k h LEU 131 Cb 0.68 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.49 3h1k h LEU 131 CO 0.14 -0.21 1.95 0.35 0.09 0.00 0.00 178.44 180.76 3h1k n THR 132 N -3.22 3.32 0.00 0.22 -2.24 -0.78 -3.83 114.28 107.75 3h1k n THR 132 Ca -0.04 -3.41 0.00 0.00 -2.27 0.00 0.00 64.05 58.33 3h1k n THR 132 Cb 0.14 -2.31 0.00 0.00 -2.10 0.00 0.00 70.33 66.06 3h1k n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h1k n GLY 133 N 5.42 0.00 3.83 3.38 0.00 -1.19 -4.52 105.19 112.11 3h1k n GLY 133 Ca 0.48 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.17 3h1k n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h1k s TYR 134 N 0.00 3.34 0.18 1.61 1.51 -1.25 -4.46 117.35 118.27 3h1k s TYR 134 Ca 0.00 1.45 -0.23 0.00 -1.01 0.00 0.00 57.07 57.28 3h1k s TYR 134 Cb 0.00 -2.73 0.07 0.00 -0.11 0.00 0.00 41.96 39.20 3h1k s TYR 134 CO 0.00 -0.04 1.01 0.00 -1.11 0.00 0.00 175.55 175.41 3h1k s ASP 136 N -3.21 6.54 0.55 0.00 1.01 -1.26 -4.38 116.67 115.91 3h1k s ASP 136 Ca 0.18 2.24 -0.18 0.00 0.71 0.00 0.00 52.55 55.50 3h1k s ASP 136 Cb -0.02 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 3h1k s ASP 136 CO 0.04 -0.66 1.09 -2.16 0.21 0.00 0.00 175.17 173.70 3h1k s PRO 137 N -2.41 3.39 0.84 8.23 0.04 -1.26 -5.04 135.00 138.78 3h1k s PRO 137 Ca 0.58 1.45 -0.11 0.00 0.04 0.00 0.00 61.00 62.96 3h1k s PRO 137 Cb -0.28 -2.03 0.14 0.00 0.04 0.00 0.00 34.50 32.38 3h1k s PRO 137 CO 0.35 -0.79 1.18 -1.25 0.04 0.00 0.00 177.00 176.52 3h1k s PRO 138 N -3.51 1.36 0.39 0.56 0.04 -1.26 -4.92 135.00 127.65 3h1k s PRO 138 Ca 0.69 -0.42 -0.25 0.00 0.04 0.00 0.00 61.00 61.06 3h1k s PRO 138 Cb -0.20 -2.02 -0.12 0.00 0.04 0.00 0.00 34.50 32.21 3h1k s PRO 138 CO 0.29 -1.87 0.95 0.00 0.04 0.00 0.00 177.00 176.41 3h1k n ALA 139 N -3.35 -0.13 0.00 8.56 0.00 -1.26 -1.96 120.51 122.36 3h1k n ALA 139 Ca 0.12 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3h1k n ALA 139 Cb 0.60 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 18.02 3h1k n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h1k n GLY 140 N 1.27 2.99 3.47 0.00 0.00 -1.26 -4.97 105.19 106.70 3h1k n GLY 140 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 3h1k n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1k s VAL 141 N -1.42 4.64 -0.29 1.61 1.01 -0.83 -5.02 120.40 120.10 3h1k s VAL 141 Ca 0.00 -0.22 -0.10 0.00 0.00 0.00 0.00 61.98 61.67 3h1k s VAL 141 Cb 0.00 -4.44 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 3h1k s VAL 141 CO 0.00 -1.00 0.14 0.68 0.00 0.00 0.00 175.10 174.92 3h1k s VAL 142 N 3.27 4.71 -0.16 2.92 -7.23 -1.26 -4.68 120.40 117.96 3h1k s VAL 142 Ca 0.21 -0.23 -0.19 0.00 -1.81 0.00 0.00 61.98 59.97 3h1k s VAL 142 Cb -0.17 -3.32 -0.04 0.00 0.56 0.00 0.00 36.38 33.41 3h1k s VAL 142 CO 0.14 0.17 0.52 -0.69 -0.31 0.00 0.00 175.10 174.93 3h1k s VAL 143 N 1.65 5.13 0.66 1.32 1.01 -1.26 -5.05 120.40 123.85 3h1k s VAL 143 Ca 0.06 1.00 -0.18 0.00 0.00 0.00 0.00 61.98 62.86 3h1k s VAL 143 Cb -0.16 -3.85 -0.00 0.00 0.00 0.00 0.00 36.38 32.36 3h1k s VAL 143 CO 0.07 0.23 1.27 0.00 0.00 0.00 0.00 175.10 176.67 3h1k s ARG 144 N 1.25 2.51 -0.23 2.72 1.70 -1.26 -4.87 118.95 120.77 3h1k s ARG 144 Ca 0.26 1.99 -0.28 0.00 -0.47 0.00 0.00 55.73 57.23 3h1k s ARG 144 Cb -0.15 -1.85 -0.05 0.00 -0.57 0.00 0.00 34.95 32.33 3h1k s ARG 144 CO 0.10 -1.61 2.19 -2.00 -1.08 0.00 0.00 175.30 172.90 3h1k s GLU 145 N -3.47 3.14 0.00 3.89 2.12 -1.26 -2.17 118.70 120.95 3h1k s GLU 145 Ca 0.81 1.99 0.00 0.00 0.36 0.00 0.00 54.97 58.13 3h1k s GLU 145 Cb -0.35 -4.36 0.00 0.00 0.26 0.00 0.00 34.13 29.67 3h1k s GLU 145 CO 0.40 -2.09 0.00 0.41 -0.54 0.00 0.00 175.26 173.44 3h1k n GLY 146 N 5.73 1.51 3.83 -1.50 0.00 -1.26 -5.11 105.19 108.39 3h1k n GLY 146 Ca 0.29 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.03 3h1k n GLY 146 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h1k s LEU 147 N 0.00 3.98 0.12 0.99 1.43 -0.92 -4.83 118.68 119.44 3h1k s LEU 147 Ca 0.00 0.02 0.09 0.00 -1.03 0.00 0.00 54.13 53.20 3h1k s LEU 147 Cb 0.00 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.58 3h1k s LEU 147 CO 0.00 0.11 -0.17 -1.00 0.23 0.00 0.00 176.35 175.52 3h1k s HIS 148 N -1.60 2.56 0.27 0.29 3.76 -0.44 -4.77 115.29 115.34 3h1k s HIS 148 Ca 0.32 -0.25 -0.29 0.00 -0.15 0.00 0.00 55.06 54.68 3h1k s HIS 148 Cb -0.11 -1.35 -0.09 0.00 1.11 0.00 0.00 32.58 32.13 3h1k s HIS 148 CO 0.25 0.39 1.00 -0.47 -0.85 0.00 0.00 174.74 175.05 3h1k s TYR 149 N -1.15 3.79 -0.30 1.40 5.04 -1.26 -2.23 117.35 122.63 3h1k s TYR 149 Ca 0.18 1.82 -0.01 0.00 -2.44 0.00 0.00 57.07 56.62 3h1k s TYR 149 Cb -0.11 -3.08 0.19 0.00 0.35 0.00 0.00 41.96 39.31 3h1k s TYR 149 CO 0.10 0.04 0.66 1.21 -1.34 0.00 0.00 175.55 176.23 3h1k s ASN 150 N -1.14 -1.31 0.51 4.32 3.84 -0.38 -3.17 114.94 117.62 3h1k s ASN 150 Ca 0.44 0.63 0.22 0.00 0.21 0.00 0.00 52.86 54.36 3h1k s ASN 150 Cb -0.27 2.02 1.35 0.00 -0.55 0.00 0.00 41.25 43.80 3h1k s ASN 150 CO 0.34 -0.24 2.09 1.55 -2.79 0.00 0.00 177.10 178.04 3h1k h PRO 151 N 7.97 0.00 0.00 0.43 0.13 -1.79 -2.78 132.00 135.96 3h1k h PRO 151 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 3h1k h PRO 151 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3h1k h PRO 151 CO 0.18 0.11 0.00 0.66 -0.23 0.00 0.00 178.00 178.72 3h1k n TYR 152 N -4.00 0.00 -5.11 1.56 4.01 -1.26 -4.40 117.16 107.95 3h1k n TYR 152 Ca -0.02 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.41 3h1k n TYR 152 Cb 0.20 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.06 3h1k n TYR 152 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 3h1k s PHE 153 N -2.00 2.35 0.06 -0.72 5.36 -1.05 -4.89 117.98 117.09 3h1k s PHE 153 Ca 0.23 -0.93 -0.35 0.00 -0.96 0.00 0.00 56.93 54.92 3h1k s PHE 153 Cb 0.11 -1.58 -0.14 0.00 -0.34 0.00 0.00 43.02 41.06 3h1k s PHE 153 CO 0.18 -0.38 1.61 -0.35 -1.46 0.00 0.00 175.22 174.82 3h1k n PRO 154 N 3.52 1.89 0.00 10.12 -0.04 -1.26 0.87 135.00 150.09 3h1k n PRO 154 Ca -0.20 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 3h1k n PRO 154 Cb 0.53 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 3h1k n PRO 154 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h1k n GLY 155 N 3.52 2.24 4.59 0.55 0.00 -1.26 -4.47 105.19 110.34 3h1k n GLY 155 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3h1k n GLY 155 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h1k n GLN 156 N -2.00 0.00 -3.60 1.61 3.00 0.25 -4.86 117.38 111.78 3h1k n GLN 156 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.59 3h1k n GLN 156 Cb 0.00 -4.14 -0.08 0.00 0.00 0.00 0.00 30.24 26.02 3h1k n GLN 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3h1k s ALA 157 N -1.05 3.64 0.17 -1.58 0.00 -1.26 -1.25 121.76 120.43 3h1k s ALA 157 Ca 0.00 -3.11 -0.06 0.00 0.00 0.00 0.00 51.96 48.79 3h1k s ALA 157 Cb 0.00 -2.87 -0.06 0.00 0.00 0.00 0.00 23.12 20.19 3h1k s ALA 157 CO 0.00 -2.09 0.43 -1.50 0.00 0.00 0.00 175.76 172.60 3h1k s ILE 158 N 0.30 5.09 -1.96 0.00 2.07 -0.95 -4.88 121.20 120.88 3h1k s ILE 158 Ca 0.15 0.16 0.26 0.00 -1.41 0.00 0.00 60.65 59.81 3h1k s ILE 158 Cb -0.19 -3.62 0.29 0.00 0.13 0.00 0.00 42.46 39.07 3h1k s ILE 158 CO -0.04 -0.01 1.55 0.61 -1.91 0.00 0.00 174.94 175.14 3h1k n GLY 159 N -0.01 -0.39 3.77 1.50 0.00 -1.26 -1.33 105.19 107.46 3h1k n GLY 159 Ca -0.01 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.17 3h1k n GLY 159 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3h1k s MET 160 N -2.39 4.57 0.09 1.61 0.00 -1.26 -4.87 119.30 117.05 3h1k s MET 160 Ca 0.26 1.17 -0.24 0.00 0.00 0.00 0.00 55.69 56.88 3h1k s MET 160 Cb 0.19 -3.28 -0.06 0.00 0.00 0.00 0.00 34.83 31.68 3h1k s MET 160 CO 0.48 0.52 0.72 0.00 0.00 0.00 0.00 175.02 176.74 3h1k s ALA 161 N -0.95 3.44 -0.65 4.11 0.00 -1.26 -4.64 121.76 121.81 3h1k s ALA 161 Ca 0.37 0.25 -0.32 0.00 0.00 0.00 0.00 51.96 52.25 3h1k s ALA 161 Cb -0.23 -2.90 -0.15 0.00 0.00 0.00 0.00 23.12 19.84 3h1k s ALA 161 CO 0.26 0.20 2.44 -2.30 0.00 0.00 0.00 175.76 176.36 3h1k n PRO 162 N 2.22 0.56 0.18 0.00 -0.02 -1.26 -4.77 135.00 131.91 3h1k n PRO 162 Ca -0.05 0.07 0.03 0.00 -2.02 0.00 0.00 63.50 61.53 3h1k n PRO 162 Cb 0.50 -2.27 0.34 0.00 -0.02 0.00 0.00 33.50 32.05 3h1k n PRO 162 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3h1k h PRO 163 N 13.85 0.00 -6.66 0.52 0.13 -1.93 -3.45 132.00 134.46 3h1k h PRO 163 Ca -0.16 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.28 3h1k h PRO 163 Cb 1.31 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.21 3h1k h PRO 163 CO 1.20 0.40 -0.83 0.96 -0.23 0.00 0.00 178.00 179.50 3h1k s ILE 164 N -4.04 2.55 -0.28 -3.56 -4.36 -1.26 -5.04 121.20 105.22 3h1k s ILE 164 Ca -0.02 -1.31 -0.10 0.00 -0.26 0.00 0.00 60.65 58.96 3h1k s ILE 164 Cb 0.14 -2.06 0.12 0.00 1.25 0.00 0.00 42.46 41.90 3h1k s ILE 164 CO 0.72 0.32 0.60 -0.72 0.24 0.00 0.00 174.94 176.10 3h1k s TYR 165 N -0.91 -1.20 0.00 1.37 1.13 -1.26 -5.02 117.35 111.45 3h1k s TYR 165 Ca 0.14 2.14 0.00 0.00 -1.41 0.00 0.00 57.07 57.94 3h1k s TYR 165 Cb -0.10 0.68 0.00 0.00 -1.10 0.00 0.00 41.96 41.44 3h1k s TYR 165 CO 0.05 -0.62 0.00 0.09 -2.51 0.00 0.00 175.55 172.56 3h1k n ASN 166 N 5.34 0.00 -0.89 -0.18 3.02 -1.26 -0.76 115.26 120.53 3h1k n ASN 166 Ca -0.12 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.32 3h1k n ASN 166 Cb 0.50 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.62 3h1k n ASN 166 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3h1k n GLU 167 N 0.00 -1.65 0.00 3.52 1.02 -0.21 -4.78 120.64 118.54 3h1k n GLU 167 Ca 0.00 0.81 0.00 0.00 -0.02 0.00 0.00 57.16 57.95 3h1k n GLU 167 Cb 0.00 -5.10 0.03 0.00 -0.02 0.00 0.00 31.44 26.34 3h1k n GLU 167 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 3h1k n ILE 168 N -2.01 0.00 0.00 -3.67 3.06 0.06 -4.64 119.36 112.16 3h1k n ILE 168 Ca -0.11 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.14 3h1k n ILE 168 Cb 0.53 -0.69 0.00 0.00 0.54 0.00 0.00 39.64 40.02 3h1k n ILE 168 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3h1k n LEU 169 N -0.73 0.00 -4.15 9.51 -0.00 -1.26 -5.03 117.00 115.35 3h1k n LEU 169 Ca 0.01 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.71 3h1k n LEU 169 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.26 3h1k n LEU 169 CO 0.01 0.00 -0.53 -1.61 -0.00 0.00 0.00 177.39 175.26 3h1k s GLU 170 N -2.00 2.68 -0.59 1.47 2.02 -1.26 -4.78 118.70 116.24 3h1k s GLU 170 Ca 0.00 -0.74 -0.28 0.00 0.02 0.00 0.00 54.97 53.97 3h1k s GLU 170 Cb 0.00 -2.12 0.03 0.00 0.10 0.00 0.00 34.13 32.14 3h1k s GLU 170 CO 0.00 0.07 1.22 0.71 0.02 0.00 0.00 175.26 177.28 3h1k s TYR 171 N 0.62 2.56 -1.61 1.61 4.12 -1.26 -4.85 117.35 118.53 3h1k s TYR 171 Ca -0.13 0.39 0.00 0.00 0.02 0.00 0.00 57.07 57.35 3h1k s TYR 171 Cb -0.17 -4.51 0.00 0.00 -1.52 0.00 0.00 41.96 35.76 3h1k s TYR 171 CO 0.04 -1.65 0.08 -0.40 0.02 0.00 0.00 175.55 173.63 3h1k n ASP 172 N 8.60 0.04 -0.26 2.29 5.68 -1.26 -0.61 116.55 131.03 3h1k n ASP 172 Ca 0.09 -0.19 0.07 0.00 -0.50 0.00 0.00 54.79 54.25 3h1k n ASP 172 Cb 0.49 -0.02 -0.02 0.00 -1.14 0.00 0.00 41.12 40.43 3h1k n ASP 172 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3h1k n ASP 173 N -0.13 1.34 0.00 -1.12 5.75 -1.26 -4.99 116.55 116.13 3h1k n ASP 173 Ca 0.00 -1.17 0.00 0.00 -0.01 0.00 0.00 54.79 53.61 3h1k n ASP 173 Cb 0.01 0.61 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 3h1k n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h1k n GLY 174 N 1.17 2.41 3.55 6.12 0.00 0.22 -5.07 105.19 113.59 3h1k n GLY 174 Ca 0.05 -0.45 -0.49 0.00 0.00 0.00 0.00 46.02 45.14 3h1k n GLY 174 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3h1k n THR 175 N 0.00 1.16 -1.98 2.61 -1.04 -1.26 -4.86 114.28 108.91 3h1k n THR 175 Ca 0.00 -0.29 -0.42 0.00 -2.04 0.00 0.00 64.05 61.30 3h1k n THR 175 Cb 0.00 -0.71 -0.03 0.00 -1.82 0.00 0.00 70.33 67.77 3h1k n THR 175 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3h1k s PRO 176 N -0.64 4.19 0.00 -2.82 0.02 -1.26 -4.28 135.00 130.21 3h1k s PRO 176 Ca 0.71 2.24 -0.01 0.00 0.02 0.00 0.00 61.00 63.95 3h1k s PRO 176 Cb -0.86 -3.85 -0.04 0.00 0.02 0.00 0.00 34.50 29.77 3h1k s PRO 176 CO 0.54 -0.80 1.54 0.00 -0.33 0.00 0.00 177.00 177.96 3h1k n ALA 177 N 6.55 3.39 -1.76 -1.55 0.00 -1.26 -4.85 120.51 121.03 3h1k n ALA 177 Ca 0.17 -0.25 -0.38 0.00 0.00 0.00 0.00 53.44 52.98 3h1k n ALA 177 Cb 0.42 -1.56 0.02 0.00 0.00 0.00 0.00 19.45 18.33 3h1k n ALA 177 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3h1k s THR 178 N 0.94 2.47 0.04 0.00 -1.32 -1.26 -1.05 115.64 115.46 3h1k s THR 178 Ca 0.09 0.35 -0.11 0.00 -1.21 0.00 0.00 61.69 60.81 3h1k s THR 178 Cb 0.04 -3.17 -0.04 0.00 -1.51 0.00 0.00 72.50 67.82 3h1k s THR 178 CO 0.00 -0.01 1.18 -0.03 -2.21 0.00 0.00 174.62 173.54 3h1k h MET 179 N 1.58 -0.16 -0.79 7.08 1.85 -1.90 -1.44 114.93 121.14 3h1k h MET 179 Ca -0.50 0.01 0.19 0.00 -0.61 0.00 0.00 59.70 58.79 3h1k h MET 179 Cb 1.28 0.04 -0.13 0.00 0.43 0.00 0.00 31.60 33.22 3h1k h MET 179 CO 0.58 -0.10 0.10 0.66 -0.40 0.00 0.00 176.91 177.75 3h1k h SER 180 N -0.16 -0.19 -0.83 1.39 4.64 -1.98 0.84 113.55 117.27 3h1k h SER 180 Ca 0.02 0.19 0.18 0.00 -0.47 0.00 0.00 61.79 61.71 3h1k h SER 180 Cb 0.21 0.30 -0.06 0.00 -0.31 0.00 0.00 62.40 62.54 3h1k h SER 180 CO -0.16 -0.15 0.55 -0.61 -0.87 0.00 0.00 176.83 175.59 3h1k h GLN 181 N 0.16 0.37 0.12 4.77 5.75 -1.68 0.84 115.11 125.43 3h1k h GLN 181 Ca 0.46 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.93 3h1k h GLN 181 Cb 0.85 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.32 3h1k h GLN 181 CO -0.64 0.24 -0.06 0.82 -2.65 0.00 0.00 178.83 176.55 3h1k h ILE 182 N 0.38 0.00 -1.15 2.39 2.04 0.17 -2.54 117.51 118.79 3h1k h ILE 182 Ca 0.42 -0.13 0.41 0.00 1.00 0.00 0.00 64.86 66.56 3h1k h ILE 182 Cb 1.05 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.98 3h1k h ILE 182 CO -0.14 0.00 0.69 0.00 0.00 0.00 0.00 178.15 178.70 3h1k h ALA 183 N -1.80 2.39 0.55 1.87 0.00 -0.62 0.49 119.26 122.14 3h1k h ALA 183 Ca -0.02 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3h1k h ALA 183 Cb 0.12 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3h1k h ALA 183 CO 0.03 -1.08 -0.35 -0.22 0.00 0.00 0.00 179.25 177.63 3h1k h LYS 184 N 0.10 -0.81 -0.42 0.00 3.11 0.68 -1.19 116.57 118.02 3h1k h LYS 184 Ca 0.82 0.06 0.07 0.00 -2.81 0.00 0.00 60.65 58.78 3h1k h LYS 184 Cb 2.30 0.19 -0.06 0.00 -1.00 0.00 0.00 32.23 33.66 3h1k h LYS 184 CO -0.59 -0.54 0.08 -0.44 -2.81 0.00 0.00 179.45 175.15 3h1k h ASP 185 N -0.85 0.01 -0.87 4.20 3.32 0.31 -0.96 116.42 121.59 3h1k h ASP 185 Ca -0.07 0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.06 3h1k h ASP 185 Cb 0.68 0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.28 3h1k h ASP 185 CO 0.07 0.04 0.58 1.62 -1.72 0.00 0.00 179.24 179.82 3h1k h VAL 186 N 0.21 1.22 0.51 -1.35 3.04 -0.92 0.14 116.25 119.10 3h1k h VAL 186 Ca 0.20 -0.40 -0.03 0.00 -1.01 0.00 0.00 66.70 65.46 3h1k h VAL 186 Cb 0.25 -0.06 0.01 0.00 -2.01 0.00 0.00 31.29 29.48 3h1k h VAL 186 CO -0.27 0.21 -0.25 0.00 -1.01 0.00 0.00 177.57 176.26 3h1k h THR 188 N -0.70 0.38 -0.03 0.00 2.02 -0.70 0.93 112.91 114.81 3h1k h THR 188 Ca -0.07 -0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.14 3h1k h THR 188 Cb 0.53 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 3h1k h THR 188 CO 0.12 0.00 -0.18 0.15 0.37 0.00 0.00 175.52 175.98 3h1k h PHE 189 N 0.01 -0.46 -1.09 3.16 3.57 -0.35 -1.52 116.94 120.25 3h1k h PHE 189 Ca 0.31 0.02 0.30 0.00 3.53 0.00 0.00 57.97 62.12 3h1k h PHE 189 Cb 0.47 0.21 -0.09 0.00 2.79 0.00 0.00 35.95 39.33 3h1k h PHE 189 CO -0.50 -0.25 0.72 -0.07 -2.23 0.00 0.00 178.31 175.97 3h1k h LEU 190 N -0.27 0.36 0.57 0.59 3.38 0.16 0.19 115.31 120.28 3h1k h LEU 190 Ca 0.06 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3h1k h LEU 190 Cb 0.36 0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.14 3h1k h LEU 190 CO -0.19 0.04 -0.27 -0.09 0.09 0.00 0.00 178.44 178.02 3h1k h ARG 191 N 0.30 -0.73 0.01 1.13 9.65 -0.28 -1.50 114.38 122.95 3h1k h ARG 191 Ca 0.62 0.05 0.03 0.00 -1.10 0.00 0.00 59.98 59.58 3h1k h ARG 191 Cb 1.74 0.17 -0.05 0.00 -1.39 0.00 0.00 29.97 30.43 3h1k h ARG 191 CO -0.27 -0.43 -0.40 2.35 2.80 0.00 0.00 179.97 184.02 3h1k h TRP 192 N -0.95 -1.13 -0.97 2.20 7.01 -0.37 0.30 115.95 122.03 3h1k h TRP 192 Ca -0.08 0.04 0.25 0.00 2.11 0.00 0.00 58.89 61.21 3h1k h TRP 192 Cb 0.64 0.50 -0.07 0.00 -2.10 0.00 0.00 29.16 28.13 3h1k h TRP 192 CO -0.00 -0.48 0.65 0.00 -2.79 0.00 0.00 178.44 175.82 3h1k h ALA 193 N 0.01 2.43 0.00 2.65 0.00 -0.82 0.21 119.26 123.73 3h1k h ALA 193 Ca 0.05 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3h1k h ALA 193 Cb 0.64 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3h1k h ALA 193 CO -0.30 -0.75 -0.23 0.00 0.00 0.00 0.00 179.25 177.96 3h1k h ALA 194 N 1.58 0.87 -0.13 0.00 0.00 0.12 -3.41 119.26 118.30 3h1k h ALA 194 Ca 0.51 -0.21 -0.25 0.00 0.00 0.00 0.00 54.91 54.96 3h1k h ALA 194 Cb 1.49 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 19.08 3h1k h ALA 194 CO -0.16 0.29 -0.51 -0.85 0.00 0.00 0.00 179.25 178.02 3h1k n GLU 195 N -3.19 0.88 -0.27 0.00 0.28 -0.08 -4.91 120.64 113.35 3h1k n GLU 195 Ca 0.03 -1.91 0.20 0.00 -0.16 0.00 0.00 57.16 55.32 3h1k n GLU 195 Cb 0.59 -1.29 0.38 0.00 1.43 0.00 0.00 31.44 32.55 3h1k n GLU 195 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 3h1k n PRO 196 N 1.08 -0.06 -0.22 3.44 -0.02 -0.40 0.66 135.00 139.49 3h1k n PRO 196 Ca 0.09 1.17 0.02 0.00 -2.02 0.00 0.00 63.50 62.76 3h1k n PRO 196 Cb 0.66 -1.99 0.14 0.00 -0.02 0.00 0.00 33.50 32.28 3h1k n PRO 196 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3h1k h GLU 197 N 0.00 0.33 0.00 -0.52 9.09 -1.94 -3.36 114.58 118.18 3h1k h GLU 197 Ca 0.61 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 60.00 3h1k h GLU 197 Cb 1.49 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 28.51 3h1k h GLU 197 CO -0.69 0.22 0.00 1.58 0.05 0.00 0.00 179.01 180.17 3h1k n HIS 198 N -5.07 0.00 0.00 2.06 -0.00 0.21 0.21 115.22 112.63 3h1k n HIS 198 Ca 0.11 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.29 3h1k n HIS 198 Cb 0.35 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.22 3h1k n HIS 198 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 3h1k n ASP 199 N 0.00 0.00 -0.28 0.26 9.92 -1.26 -0.40 116.55 124.78 3h1k n ASP 199 Ca 0.00 0.88 0.30 0.00 -0.53 0.00 0.00 54.79 55.44 3h1k n ASP 199 Cb 0.00 -0.38 0.68 0.00 -0.64 0.00 0.00 41.12 40.78 3h1k n ASP 199 CO 0.00 0.00 0.00 -0.61 0.13 0.00 0.00 177.20 176.72 3h1k h GLN 200 N 0.00 0.11 -0.42 -1.24 4.15 -0.52 0.52 115.11 117.71 3h1k h GLN 200 Ca 0.00 -0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.30 3h1k h GLN 200 Cb 0.00 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 3h1k h GLN 200 CO 0.00 0.07 -0.19 -0.09 -1.93 0.00 0.00 178.83 176.69 3h1k h ARG 201 N 0.11 0.82 -0.15 1.69 1.12 -0.02 -1.38 114.38 116.58 3h1k h ARG 201 Ca 0.54 -0.32 -0.19 0.00 -1.11 0.00 0.00 59.98 58.90 3h1k h ARG 201 Cb 1.91 -0.05 0.01 0.00 -0.01 0.00 0.00 29.97 31.83 3h1k h ARG 201 CO -0.08 0.94 -0.65 0.87 -3.11 0.00 0.00 179.97 177.93 3h1k h LYS 202 N 0.72 0.71 -0.82 0.20 1.57 0.15 -0.97 116.57 118.14 3h1k h LYS 202 Ca 0.11 -0.56 0.12 0.00 -1.87 0.00 0.00 60.65 58.44 3h1k h LYS 202 Cb 0.70 0.11 -0.06 0.00 0.08 0.00 0.00 32.23 33.06 3h1k h LYS 202 CO 0.05 1.18 0.54 -0.09 -0.57 0.00 0.00 179.45 180.56 3h1k h ARG 203 N 0.41 0.66 0.35 3.15 2.43 -0.78 -1.01 114.38 119.60 3h1k h ARG 203 Ca -0.04 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 3h1k h ARG 203 Cb 1.29 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 3h1k h ARG 203 CO 0.14 0.44 -0.17 0.52 -1.51 0.00 0.00 179.97 179.39 3h1k h MET 204 N 0.68 -0.45 -0.86 0.20 2.86 -1.05 -2.79 114.93 113.52 3h1k h MET 204 Ca 0.39 0.03 0.24 0.00 -2.06 0.00 0.00 59.70 58.31 3h1k h MET 204 Cb 0.58 0.10 -0.16 0.00 0.06 0.00 0.00 31.60 32.18 3h1k h MET 204 CO -0.16 -0.13 0.04 0.41 1.06 0.00 0.00 176.91 178.13 3h1k n GLY 205 N -0.06 -1.15 0.15 8.32 0.00 -0.39 -0.07 105.19 111.99 3h1k n GLY 205 Ca -0.09 0.84 -0.05 0.00 0.00 0.00 0.00 46.02 46.71 3h1k n GLY 205 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3h1k h LEU 206 N 0.00 -0.37 -0.89 0.99 5.85 -1.15 0.12 115.31 119.85 3h1k h LEU 206 Ca 0.53 0.02 0.24 0.00 0.84 0.00 0.00 57.88 59.52 3h1k h LEU 206 Cb 1.11 0.12 -0.15 0.00 0.37 0.00 0.00 40.66 42.11 3h1k h LEU 206 CO -0.81 -0.21 0.22 0.11 -0.34 0.00 0.00 178.44 177.42 3h1k h LYS 207 N -0.32 0.18 -0.23 1.25 1.57 -0.38 0.83 116.57 119.46 3h1k h LYS 207 Ca -0.03 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3h1k h LYS 207 Cb 0.27 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3h1k h LYS 207 CO 0.01 0.12 0.15 1.98 -0.57 0.00 0.00 179.45 181.14 3h1k h MET 208 N 0.18 0.31 -0.83 3.15 4.05 -0.24 -0.25 114.93 121.30 3h1k h MET 208 Ca 0.56 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.96 3h1k h MET 208 Cb 1.14 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.83 3h1k h MET 208 CO -0.68 0.22 0.54 -0.07 0.23 0.00 0.00 176.91 177.15 3h1k h LEU 209 N 0.31 0.97 0.71 3.39 3.38 0.15 0.24 115.31 124.47 3h1k h LEU 209 Ca 0.09 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3h1k h LEU 209 Cb -0.02 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.50 3h1k h LEU 209 CO -0.02 0.71 -0.34 -0.07 0.09 0.00 0.00 178.44 178.81 3h1k h LEU 210 N 1.13 -0.81 0.16 1.67 3.38 -0.86 -0.65 115.31 119.32 3h1k h LEU 210 Ca 0.30 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.30 3h1k h LEU 210 Cb -0.11 0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3h1k h LEU 210 CO -0.06 -0.45 -0.47 0.40 0.09 0.00 0.00 178.44 177.95 3h1k h ILE 211 N -1.21 0.09 -0.39 1.22 1.08 -1.01 -2.21 117.51 115.09 3h1k h ILE 211 Ca -0.10 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.41 3h1k h ILE 211 Cb 0.75 0.09 -0.05 0.00 -3.07 0.00 0.00 36.82 34.55 3h1k h ILE 211 CO 0.16 0.00 -0.23 -0.24 -0.69 0.00 0.00 178.15 177.15 3h1k n SER 212 N -5.48 -0.41 -0.20 1.72 2.88 0.85 -0.62 113.62 112.36 3h1k n SER 212 Ca -0.08 1.28 -0.01 0.00 -1.33 0.00 0.00 58.87 58.73 3h1k n SER 212 Cb 0.40 -0.38 0.07 0.00 -0.75 0.00 0.00 64.21 63.55 3h1k n SER 212 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h1k h ALA 213 N -0.39 0.45 -0.17 -1.46 0.00 -0.94 0.22 119.26 116.97 3h1k h ALA 213 Ca 0.06 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3h1k h ALA 213 Cb 0.16 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3h1k h ALA 213 CO -0.37 -0.42 0.08 1.25 0.00 0.00 0.00 179.25 179.79 3h1k h LEU 214 N 0.02 0.22 -1.32 0.00 5.85 -0.54 -2.03 115.31 117.51 3h1k h LEU 214 Ca 0.30 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 3h1k h LEU 214 Cb 0.47 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3h1k h LEU 214 CO -0.60 0.27 -0.20 0.25 -0.34 0.00 0.00 178.44 177.82 3h1k h LEU 215 N 0.15 0.00 -0.00 2.25 5.85 -0.42 -1.53 115.31 121.61 3h1k h LEU 215 Ca 0.06 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.61 3h1k h LEU 215 Cb 0.11 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.15 3h1k h LEU 215 CO -0.01 0.20 -0.66 0.74 -0.34 0.00 0.00 178.44 178.37 3h1k h THR 216 N 0.00 1.40 0.38 1.05 2.02 -0.81 -2.50 112.91 114.45 3h1k h THR 216 Ca -0.00 -2.09 -0.01 0.00 0.77 0.00 0.00 66.41 65.07 3h1k h THR 216 Cb 0.64 2.55 -0.02 0.00 -1.74 0.00 0.00 68.15 69.58 3h1k h THR 216 CO 0.03 0.62 -0.43 0.28 0.37 0.00 0.00 175.52 176.38 3h1k h SER 217 N -0.02 -1.19 -0.61 4.18 0.02 -1.10 -0.19 113.55 114.64 3h1k h SER 217 Ca -0.08 0.10 0.08 0.00 -0.84 0.00 0.00 61.79 61.05 3h1k h SER 217 Cb 1.36 0.40 -0.10 0.00 0.14 0.00 0.00 62.40 64.20 3h1k h SER 217 CO 0.13 -0.55 -0.50 -0.07 -1.14 0.00 0.00 176.83 174.70 3h1k h LEU 218 N -0.82 -1.72 -0.64 5.07 3.38 -1.35 0.28 115.31 119.52 3h1k h LEU 218 Ca -0.05 0.26 0.13 0.00 0.09 0.00 0.00 57.88 58.31 3h1k h LEU 218 Cb 0.72 0.75 -0.10 0.00 0.09 0.00 0.00 40.66 42.13 3h1k h LEU 218 CO -0.08 -0.34 0.11 -0.07 0.09 0.00 0.00 178.44 178.15 3h1k h LEU 219 N -0.24 -0.06 -1.26 1.67 3.38 -1.26 -0.36 115.31 117.18 3h1k h LEU 219 Ca 0.15 0.13 0.12 0.00 0.09 0.00 0.00 57.88 58.37 3h1k h LEU 219 Cb 0.55 0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.43 3h1k h LEU 219 CO -0.71 -0.03 0.57 0.22 0.09 0.00 0.00 178.44 178.58 3h1k h TYR 220 N 0.23 0.86 0.65 1.13 5.03 0.93 0.30 116.97 126.10 3h1k h TYR 220 Ca 0.34 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.64 3h1k h TYR 220 Cb 0.54 -0.27 0.01 0.00 1.55 0.00 0.00 36.73 38.55 3h1k h TYR 220 CO -0.28 0.35 -0.31 -0.92 -1.32 0.00 0.00 178.16 175.68 3h1k h TYR 221 N 0.76 -0.81 -0.94 -3.82 3.20 -0.36 -2.11 116.97 112.89 3h1k h TYR 221 Ca 0.43 -0.02 0.23 0.00 3.14 0.00 0.00 58.73 62.51 3h1k h TYR 221 Cb 0.58 0.27 -0.07 0.00 1.54 0.00 0.00 36.73 39.05 3h1k h TYR 221 CO -0.00 -0.50 0.63 0.52 -1.64 0.00 0.00 178.16 177.16 3h1k h MET 222 N -0.98 0.32 0.06 1.82 2.86 -0.84 0.72 114.93 118.89 3h1k h MET 222 Ca -0.09 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3h1k h MET 222 Cb 0.67 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.26 3h1k h MET 222 CO 0.15 0.21 -0.03 -0.22 1.06 0.00 0.00 176.91 178.08 3h1k h LYS 223 N 0.33 -0.08 0.81 1.72 3.11 -0.35 -2.69 116.57 119.41 3h1k h LYS 223 Ca 0.49 0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 58.30 3h1k h LYS 223 Cb 1.36 0.02 0.01 0.00 -1.00 0.00 0.00 32.23 32.61 3h1k h LYS 223 CO -0.17 0.27 -0.41 0.00 -2.81 0.00 0.00 179.45 176.34 3h1k h ARG 224 N -0.44 -1.07 -0.21 1.90 2.47 -0.35 -1.17 114.38 115.51 3h1k h ARG 224 Ca -0.01 0.07 0.02 0.00 -1.26 0.00 0.00 59.98 58.80 3h1k h ARG 224 Cb 0.39 0.24 -0.02 0.00 -1.65 0.00 0.00 29.97 28.93 3h1k h ARG 224 CO 0.01 -0.72 -0.12 1.58 0.56 0.00 0.00 179.97 181.29 3h1k n HIS 225 N -5.57 -0.09 0.28 3.04 -0.00 0.23 0.10 115.22 113.21 3h1k n HIS 225 Ca -0.15 0.26 -0.18 0.00 0.46 0.00 0.00 57.72 58.11 3h1k n HIS 225 Cb 0.45 -0.41 -0.10 0.00 -0.12 0.00 0.00 29.99 29.81 3h1k n HIS 225 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 3h1k h LYS 226 N 0.00 -0.94 -0.21 1.57 1.79 -1.49 -1.99 116.57 115.30 3h1k h LYS 226 Ca 0.03 0.06 0.06 0.00 -2.18 0.00 0.00 60.65 58.63 3h1k h LYS 226 Cb 0.08 0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 3h1k h LYS 226 CO -0.19 -0.63 0.38 -1.49 -1.08 0.00 0.00 179.45 176.44 3h1k h TRP 227 N -0.98 0.00 -0.93 -1.35 4.06 0.25 -2.73 115.95 114.27 3h1k h TRP 227 Ca -0.06 0.00 0.13 0.00 2.06 0.00 0.00 58.89 61.03 3h1k h TRP 227 Cb 0.86 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 28.87 3h1k h TRP 227 CO -0.27 0.00 -0.42 0.66 -3.56 0.00 0.00 178.44 174.85 3h1k h SER 228 N 0.00 -1.54 -1.53 -3.49 4.64 0.15 0.53 113.55 112.32 3h1k h SER 228 Ca 0.10 0.30 0.49 0.00 -0.47 0.00 0.00 61.79 62.21 3h1k h SER 228 Cb 0.86 0.77 -0.11 0.00 -0.31 0.00 0.00 62.40 63.61 3h1k h SER 228 CO -0.00 -0.28 1.04 0.52 -0.87 0.00 0.00 176.83 177.23 3h1k n VAL 229 N -5.43 -0.14 -0.10 0.95 0.31 -1.03 -0.15 118.33 112.74 3h1k n VAL 229 Ca 0.08 1.58 -0.19 0.00 -0.01 0.00 0.00 64.34 65.80 3h1k n VAL 229 Cb 0.37 -2.61 -0.10 0.00 -0.91 0.00 0.00 33.84 30.59 3h1k n VAL 229 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3h1k h LEU 230 N 0.00 0.00 -2.47 7.52 3.38 -0.18 -3.24 115.31 120.32 3h1k h LEU 230 Ca 0.85 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 58.40 3h1k h LEU 230 Cb 3.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 43.78 3h1k h LEU 230 CO -0.27 1.36 -0.01 0.11 0.09 0.00 0.00 178.44 179.71 3h1k h LYS 231 N -1.00 0.00 0.00 1.13 1.57 -0.65 -1.54 116.57 116.07 3h1k h LYS 231 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 3h1k h LYS 231 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3h1k h LYS 231 CO -0.17 0.01 -1.07 -1.13 -0.57 0.00 0.00 179.45 176.52 3h1k n SER 232 N -3.21 0.71 -4.40 0.86 3.41 0.79 -4.98 113.62 106.81 3h1k n SER 232 Ca -0.02 0.21 -0.41 0.00 -0.26 0.00 0.00 58.87 58.39 3h1k n SER 232 Cb 0.15 0.62 0.01 0.00 -0.26 0.00 0.00 64.21 64.73 3h1k n SER 232 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3h1k n ARG 233 N -2.48 0.38 -4.13 4.33 0.63 -0.58 -5.03 116.66 109.77 3h1k n ARG 233 Ca 0.00 0.14 -0.17 0.00 -0.92 0.00 0.00 57.85 56.90 3h1k n ARG 233 Cb 0.53 -1.37 -0.15 0.00 0.45 0.00 0.00 32.46 31.91 3h1k n ARG 233 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3h1k s LYS 234 N -1.46 0.50 0.06 -0.14 1.02 -1.26 -5.06 119.74 113.39 3h1k s LYS 234 Ca 0.63 -0.13 0.03 0.00 0.02 0.00 0.00 55.97 56.51 3h1k s LYS 234 Cb -0.58 -0.52 -0.03 0.00 -0.52 0.00 0.00 37.83 36.18 3h1k s LYS 234 CO 0.59 0.04 -0.09 0.00 -0.92 0.00 0.00 175.35 174.97 3h1k s MET 235 N 0.26 0.66 0.02 1.68 0.23 -1.26 -5.15 119.30 115.74 3h1k s MET 235 Ca -0.03 -0.94 0.00 0.00 -1.03 0.00 0.00 55.69 53.70 3h1k s MET 235 Cb -0.06 -0.39 -0.02 0.00 -1.53 0.00 0.00 34.83 32.83 3h1k s MET 235 CO -0.00 0.06 -0.03 0.00 -2.03 0.00 0.00 175.02 173.02 3h1k s ALA 236 N -1.88 0.13 -0.57 3.16 0.00 -1.26 -5.11 121.76 116.22 3h1k s ALA 236 Ca -0.03 -0.56 -0.09 0.00 0.00 0.00 0.00 51.96 51.28 3h1k s ALA 236 Cb -0.06 0.14 0.15 0.00 0.00 0.00 0.00 23.12 23.34 3h1k s ALA 236 CO -0.00 -0.15 0.45 -0.47 0.00 0.00 0.00 175.76 175.60 3h1k s TYR 237 N -1.37 3.48 -0.83 0.00 5.04 -1.26 -5.02 117.35 117.40 3h1k s TYR 237 Ca -0.15 -2.05 -0.01 0.00 -2.44 0.00 0.00 57.07 52.42 3h1k s TYR 237 Cb -0.09 -3.51 0.21 0.00 0.35 0.00 0.00 41.96 38.91 3h1k s TYR 237 CO -0.01 -0.96 0.70 1.03 -1.34 0.00 0.00 175.55 174.96 3h1k s ARG 238 N 0.84 3.09 0.70 4.97 0.52 -1.26 -5.08 118.95 122.73 3h1k s ARG 238 Ca 0.10 -3.16 -0.12 0.00 -0.52 0.00 0.00 55.73 52.04 3h1k s ARG 238 Cb -0.22 -3.87 0.18 0.00 0.52 0.00 0.00 34.95 31.55 3h1k s ARG 238 CO -0.03 -1.25 0.51 -0.35 0.02 0.00 0.00 175.30 174.20 3h1k n PRO 239 N 2.50 -2.79 -0.02 3.54 -0.04 -1.26 -4.98 135.00 131.95 3h1k n PRO 239 Ca 0.19 -0.84 -0.16 0.00 -0.04 0.00 0.00 63.50 62.66 3h1k n PRO 239 Cb 0.37 -0.91 -0.11 0.00 -0.04 0.00 0.00 33.50 32.80 3h1k n PRO 239 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3h1k h PRO 240 N 0.00 0.23 0.00 0.54 0.11 -2.07 -3.57 132.00 127.24 3h1k h PRO 240 Ca -0.21 -0.24 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3h1k h PRO 240 Cb 0.67 0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.85 3h1k h PRO 240 CO 0.13 0.95 0.00 1.63 -0.21 0.00 0.00 178.00 180.51