#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kyq n MET 1 N 0.00 -1.50 -4.01 1.96 2.81 -1.26 -4.98 117.12 110.13 3kyq n MET 1 Ca 0.00 1.06 -0.31 0.00 -1.81 0.00 0.00 57.70 56.64 3kyq n MET 1 Cb 0.00 -3.52 -0.06 0.00 -0.71 0.00 0.00 33.22 28.94 3kyq n MET 1 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3kyq s LYS 2 N -4.16 3.07 -0.15 0.03 1.02 -1.26 -4.90 119.74 113.38 3kyq s LYS 2 Ca 0.02 -0.60 -0.07 0.00 0.02 0.00 0.00 55.97 55.34 3kyq s LYS 2 Cb -0.00 -2.83 -0.04 0.00 -0.52 0.00 0.00 37.83 34.43 3kyq s LYS 2 CO 0.84 0.59 0.09 -0.51 -0.92 0.00 0.00 175.35 175.44 3kyq s LEU 3 N -2.37 4.03 -0.12 3.17 1.43 -1.26 -1.06 118.68 122.50 3kyq s LEU 3 Ca 0.30 0.24 0.06 0.00 -1.03 0.00 0.00 54.13 53.70 3kyq s LEU 3 Cb -0.12 -2.00 -0.12 0.00 0.03 0.00 0.00 46.19 43.98 3kyq s LEU 3 CO 0.23 0.28 -0.03 -1.22 0.23 0.00 0.00 176.35 175.84 3kyq n TYR 4 N 2.84 0.00 -3.67 0.29 4.02 0.90 -4.57 117.16 116.97 3kyq n TYR 4 Ca -0.18 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.57 3kyq n TYR 4 Cb 0.53 -0.55 -0.07 0.00 -0.02 0.00 0.00 39.34 39.23 3kyq n TYR 4 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3kyq s SER 5 N -4.80 -0.34 -0.05 7.72 1.04 -1.08 0.95 113.70 117.14 3kyq s SER 5 Ca -0.11 0.24 -0.02 0.00 0.48 0.00 0.00 55.95 56.54 3kyq s SER 5 Cb 0.04 0.40 0.04 0.00 0.10 0.00 0.00 66.02 66.60 3kyq s SER 5 CO 0.40 -0.54 0.09 -0.22 0.98 0.00 0.00 173.24 173.95 3kyq s LEU 6 N -1.44 0.47 0.02 2.42 2.96 0.48 -1.06 118.68 122.53 3kyq s LEU 6 Ca -0.11 0.18 -0.07 0.00 -0.22 0.00 0.00 54.13 53.91 3kyq s LEU 6 Cb -0.03 0.08 -0.00 0.00 0.50 0.00 0.00 46.19 46.74 3kyq s LEU 6 CO 0.04 -0.19 0.13 -0.94 -1.32 0.00 0.00 176.35 174.07 3kyq s SER 7 N 1.69 0.07 -0.12 3.68 1.04 -0.30 0.31 113.70 120.07 3kyq s SER 7 Ca -0.02 -0.31 0.01 0.00 0.48 0.00 0.00 55.95 56.11 3kyq s SER 7 Cb -0.12 0.21 -0.01 0.00 0.10 0.00 0.00 66.02 66.20 3kyq s SER 7 CO -0.04 -0.42 -0.15 -0.69 0.98 0.00 0.00 173.24 172.92 3kyq s VAL 8 N -1.78 2.86 0.13 5.02 1.01 0.46 -0.92 120.40 127.18 3kyq s VAL 8 Ca -0.12 -0.73 0.10 0.00 0.00 0.00 0.00 61.98 61.23 3kyq s VAL 8 Cb -0.06 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 3kyq s VAL 8 CO -0.00 0.53 -0.25 -0.36 0.00 0.00 0.00 175.10 175.02 3kyq s PHE 9 N 0.32 2.15 -0.18 5.22 0.08 0.77 -1.06 117.98 125.28 3kyq s PHE 9 Ca -0.12 -0.39 -0.18 0.00 0.12 0.00 0.00 56.93 56.36 3kyq s PHE 9 Cb -0.16 -1.16 -0.04 0.00 -0.57 0.00 0.00 43.02 41.09 3kyq s PHE 9 CO 0.06 0.31 0.48 -0.47 -0.10 0.00 0.00 175.22 175.50 3kyq s TYR 10 N -1.14 3.41 -0.60 0.36 5.04 0.53 -0.90 117.35 124.06 3kyq s TYR 10 Ca 0.12 0.77 -0.22 0.00 -2.44 0.00 0.00 57.07 55.30 3kyq s TYR 10 Cb -0.10 -2.61 0.06 0.00 0.35 0.00 0.00 41.96 39.67 3kyq s TYR 10 CO 0.06 -0.01 0.89 0.21 -1.34 0.00 0.00 175.55 175.36 3kyq s LYS 11 N 1.29 3.17 0.42 4.97 2.20 0.09 -0.06 119.74 131.82 3kyq s LYS 11 Ca 0.23 -0.70 0.04 0.00 -0.36 0.00 0.00 55.97 55.18 3kyq s LYS 11 Cb -0.15 -4.16 0.00 0.00 -1.51 0.00 0.00 37.83 32.01 3kyq s LYS 11 CO 0.09 -1.61 0.60 0.20 -0.36 0.00 0.00 175.35 174.27 3kyq s GLY 12 N 3.28 1.70 -0.26 5.54 0.00 -0.17 -4.88 107.32 112.52 3kyq s GLY 12 Ca 0.23 -1.37 -0.08 0.00 0.00 0.00 0.00 44.72 43.50 3kyq s GLY 12 CO 0.13 -1.21 0.09 -0.54 0.00 0.00 0.00 173.10 171.57 3kyq s GLU 13 N -4.42 3.58 0.12 2.90 2.02 -1.26 -2.83 118.70 118.81 3kyq s GLU 13 Ca 0.50 -0.54 0.23 0.00 0.02 0.00 0.00 54.97 55.19 3kyq s GLU 13 Cb -0.10 -3.38 0.15 0.00 0.10 0.00 0.00 34.13 30.90 3kyq s GLU 13 CO 0.35 -0.24 1.14 -0.35 0.02 0.00 0.00 175.26 176.17 3kyq n PRO 14 N 4.94 0.39 -2.84 0.39 -0.04 -1.26 -5.09 135.00 131.49 3kyq n PRO 14 Ca -0.16 0.07 -0.40 0.00 -0.04 0.00 0.00 63.50 62.97 3kyq n PRO 14 Cb 0.51 -1.70 -0.05 0.00 -0.04 0.00 0.00 33.50 32.21 3kyq n PRO 14 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3kyq s LYS 15 N -3.24 4.68 -0.20 0.54 2.20 -1.13 -4.81 119.74 117.78 3kyq s LYS 15 Ca 0.03 1.33 -0.16 0.00 -0.36 0.00 0.00 55.97 56.81 3kyq s LYS 15 Cb 0.12 -3.32 -0.04 0.00 -1.51 0.00 0.00 37.83 33.09 3kyq s LYS 15 CO 0.77 0.40 0.40 0.00 -0.36 0.00 0.00 175.35 176.56 3kyq s ALA 16 N -0.63 3.56 -0.33 3.13 0.00 -1.26 -1.00 121.76 125.23 3kyq s ALA 16 Ca 0.41 -0.53 -0.16 0.00 0.00 0.00 0.00 51.96 51.68 3kyq s ALA 16 Cb -0.24 -2.64 -0.01 0.00 0.00 0.00 0.00 23.12 20.23 3kyq s ALA 16 CO 0.29 -0.31 0.42 0.08 0.00 0.00 0.00 175.76 176.23 3kyq s VAL 17 N 1.33 5.12 0.12 0.00 1.01 0.91 -4.92 120.40 123.96 3kyq s VAL 17 Ca 0.19 0.27 -0.31 0.00 0.00 0.00 0.00 61.98 62.13 3kyq s VAL 17 Cb -0.15 -3.84 -0.10 0.00 0.00 0.00 0.00 36.38 32.29 3kyq s VAL 17 CO 0.08 -0.08 1.73 -0.22 0.00 0.00 0.00 175.10 176.62 3kyq s LEU 18 N 2.16 4.38 -0.21 3.92 2.96 -1.26 -0.34 118.68 130.28 3kyq s LEU 18 Ca 0.15 2.68 -0.05 0.00 -0.22 0.00 0.00 54.13 56.69 3kyq s LEU 18 Cb -0.16 -3.57 -0.11 0.00 0.50 0.00 0.00 46.19 42.84 3kyq s LEU 18 CO 0.12 -0.94 -0.23 0.18 -1.32 0.00 0.00 176.35 174.15 3kyq n LEU 19 N 5.23 2.23 -3.63 -0.68 4.77 -0.22 -3.99 117.00 120.70 3kyq n LEU 19 Ca 0.16 0.09 -0.12 0.00 -0.03 0.00 0.00 56.01 56.11 3kyq n LEU 19 Cb 0.38 -0.67 -0.07 0.00 -2.33 0.00 0.00 43.42 40.73 3kyq n LEU 19 CO 0.64 0.64 0.41 -0.75 -1.33 0.00 0.00 177.39 177.00 3kyq s LYS 20 N -2.40 0.81 0.01 3.23 2.47 -1.16 -2.34 119.74 120.35 3kyq s LYS 20 Ca -0.29 1.04 0.01 0.00 -1.56 0.00 0.00 55.97 55.17 3kyq s LYS 20 Cb 0.09 0.35 -0.01 0.00 -1.46 0.00 0.00 37.83 36.80 3kyq s LYS 20 CO 0.42 -0.11 -0.04 0.00 0.16 0.00 0.00 175.35 175.78 3kyq s ALA 21 N 0.65 0.32 -0.01 3.13 0.00 -1.26 -0.40 121.76 124.18 3kyq s ALA 21 Ca -0.02 -0.38 0.05 0.00 0.00 0.00 0.00 51.96 51.61 3kyq s ALA 21 Cb -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 3kyq s ALA 21 CO -0.04 0.00 -0.16 0.00 0.00 0.00 0.00 175.76 175.57 3kyq s ALA 22 N -0.66 1.33 0.07 0.00 0.00 0.15 -4.91 121.76 117.74 3kyq s ALA 22 Ca -0.05 -0.71 0.05 0.00 0.00 0.00 0.00 51.96 51.26 3kyq s ALA 22 Cb -0.05 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 3kyq s ALA 22 CO -0.00 0.32 -0.14 0.71 0.00 0.00 0.00 175.76 176.65 3kyq s TYR 23 N -0.41 1.18 -0.41 0.00 1.51 -1.26 -0.39 117.35 117.57 3kyq s TYR 23 Ca 0.06 -0.46 0.02 0.00 -1.01 0.00 0.00 57.07 55.68 3kyq s TYR 23 Cb -0.06 -0.67 0.13 0.00 -0.11 0.00 0.00 41.96 41.25 3kyq s TYR 23 CO -0.00 0.05 0.21 0.34 -1.11 0.00 0.00 175.55 175.03 3kyq s ASP 24 N -1.70 3.70 -0.23 2.29 -1.08 0.27 -4.95 116.67 114.97 3kyq s ASP 24 Ca -0.02 -2.43 0.14 0.00 -0.52 0.00 0.00 52.55 49.72 3kyq s ASP 24 Cb -0.10 -0.99 0.65 0.00 -1.46 0.00 0.00 42.92 41.02 3kyq s ASP 24 CO 0.02 -0.30 1.58 1.33 0.52 0.00 0.00 175.17 178.33 3kyq n VAL 25 N 3.80 2.56 0.24 1.11 0.24 -1.26 -4.54 118.33 120.48 3kyq n VAL 25 Ca 0.07 -1.78 0.11 0.00 -2.04 0.00 0.00 64.34 60.69 3kyq n VAL 25 Cb 0.36 -0.29 0.61 0.00 -1.47 0.00 0.00 33.84 33.05 3kyq n VAL 25 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3kyq h SER 26 N 2.49 0.00 1.05 -1.34 4.64 -1.96 -2.20 113.55 116.22 3kyq h SER 26 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3kyq h SER 26 Cb 1.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.86 3kyq h SER 26 CO 0.40 0.18 0.00 -1.54 -0.87 0.00 0.00 176.83 175.00 3kyq n SER 27 N -3.64 0.33 -4.91 4.97 3.41 -1.26 -4.82 113.62 107.71 3kyq n SER 27 Ca -0.01 0.54 -0.27 0.00 -0.26 0.00 0.00 58.87 58.87 3kyq n SER 27 Cb 0.31 -0.63 -0.01 0.00 -0.26 0.00 0.00 64.21 63.63 3kyq n SER 27 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3kyq s PHE 28 N -3.07 3.55 0.36 7.33 0.40 -0.83 -5.05 117.98 120.67 3kyq s PHE 28 Ca 0.11 0.79 -0.28 0.00 -0.60 0.00 0.00 56.93 56.95 3kyq s PHE 28 Cb 0.14 -2.27 -0.10 0.00 0.51 0.00 0.00 43.02 41.30 3kyq s PHE 28 CO 0.50 -0.21 1.36 -1.12 0.70 0.00 0.00 175.22 176.44 3kyq s SER 29 N -3.97 6.55 0.31 1.36 0.01 -1.26 -4.84 113.70 111.87 3kyq s SER 29 Ca 0.47 2.79 0.06 0.00 1.31 0.00 0.00 55.95 60.58 3kyq s SER 29 Cb -0.10 -2.65 0.87 0.00 0.21 0.00 0.00 66.02 64.35 3kyq s SER 29 CO 0.42 -0.70 1.60 0.15 0.41 0.00 0.00 173.24 175.13 3kyq h PHE 30 N 3.12 0.31 0.00 2.43 3.57 -1.93 0.31 116.94 124.75 3kyq h PHE 30 Ca -0.50 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.06 3kyq h PHE 30 Cb 1.23 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.99 3kyq h PHE 30 CO 0.54 -0.35 0.00 0.27 -2.23 0.00 0.00 178.31 176.54 3kyq h PHE 31 N 0.09 0.00 0.00 0.41 -5.15 -2.01 -3.14 116.94 107.14 3kyq h PHE 31 Ca 0.64 0.00 -0.26 0.00 -0.20 0.00 0.00 57.97 58.15 3kyq h PHE 31 Cb 1.41 0.00 -0.05 0.00 0.22 0.00 0.00 35.95 37.54 3kyq h PHE 31 CO -0.30 0.00 -1.78 1.04 -2.00 0.00 0.00 178.31 175.28 3kyq n GLN 32 N -2.43 0.64 -0.19 6.09 6.02 0.11 -4.67 117.38 122.95 3kyq n GLN 32 Ca 0.03 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 3kyq n GLN 32 Cb 0.30 -1.73 0.09 0.00 1.02 0.00 0.00 30.24 29.92 3kyq n GLN 32 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kyq h ARG 33 N 0.00 0.11 -0.80 -1.09 3.08 -1.43 -0.22 114.38 114.04 3kyq h ARG 33 Ca -0.29 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.73 3kyq h ARG 33 Cb 1.89 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 31.88 3kyq h ARG 33 CO 0.06 0.07 0.40 1.03 -1.07 0.00 0.00 179.97 180.46 3kyq h SER 34 N 0.11 1.03 -0.25 7.04 0.87 -1.83 -1.90 113.55 118.63 3kyq h SER 34 Ca 0.30 -0.12 -0.18 0.00 -1.23 0.00 0.00 61.79 60.56 3kyq h SER 34 Cb 0.49 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.18 3kyq h SER 34 CO -0.50 0.86 -0.52 0.28 -0.53 0.00 0.00 176.83 176.42 3kyq h SER 35 N 1.12 0.92 -0.24 6.23 0.02 -1.48 -2.74 113.55 117.38 3kyq h SER 35 Ca 0.28 -0.48 -0.09 0.00 -0.84 0.00 0.00 61.79 60.66 3kyq h SER 35 Cb 0.09 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 3kyq h SER 35 CO -0.04 1.27 -0.13 0.58 -1.14 0.00 0.00 176.83 177.37 3kyq h VAL 36 N 0.65 1.25 -0.32 2.27 2.07 -0.98 -1.36 116.25 119.83 3kyq h VAL 36 Ca 0.02 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.39 3kyq h VAL 36 Cb 1.11 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 3kyq h VAL 36 CO 0.11 0.38 0.12 1.56 0.02 0.00 0.00 177.57 179.76 3kyq h GLN 37 N 0.59 0.49 -0.65 1.57 4.20 -1.31 -1.41 115.11 118.60 3kyq h GLN 37 Ca 0.10 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 3kyq h GLN 37 Cb 0.57 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 3kyq h GLN 37 CO 0.04 0.50 0.13 0.93 -0.67 0.00 0.00 178.83 179.76 3kyq h GLU 38 N 0.37 1.06 0.00 1.46 5.08 -1.34 -1.53 114.58 119.67 3kyq h GLU 38 Ca 0.11 -0.27 -0.10 0.00 -1.00 0.00 0.00 59.36 58.10 3kyq h GLU 38 Cb 0.20 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3kyq h GLU 38 CO -0.01 0.97 -0.46 0.35 -1.00 0.00 0.00 179.01 178.86 3kyq h PHE 39 N 0.98 0.00 0.01 4.33 3.04 -1.16 0.98 116.94 125.11 3kyq h PHE 39 Ca 0.20 0.00 -0.19 0.00 3.98 0.00 0.00 57.97 61.96 3kyq h PHE 39 Cb 0.40 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.89 3kyq h PHE 39 CO 0.03 0.46 -0.87 0.52 -2.02 0.00 0.00 178.31 176.43 3kyq h MET 40 N 0.00 0.10 -0.17 1.11 2.86 -1.02 -0.24 114.93 117.57 3kyq h MET 40 Ca -0.00 -0.11 -0.06 0.00 -2.06 0.00 0.00 59.70 57.46 3kyq h MET 40 Cb 0.89 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.58 3kyq h MET 40 CO 0.06 0.90 -0.13 1.15 1.06 0.00 0.00 176.91 179.96 3kyq h THR 41 N 0.05 1.33 -0.53 2.22 2.02 -1.05 -0.93 112.91 116.01 3kyq h THR 41 Ca -0.03 -1.24 0.02 0.00 0.77 0.00 0.00 66.41 65.93 3kyq h THR 41 Cb 1.51 1.78 -0.03 0.00 -1.74 0.00 0.00 68.15 69.67 3kyq h THR 41 CO 0.12 0.37 0.33 0.15 0.37 0.00 0.00 175.52 176.86 3kyq h PHE 42 N 0.04 0.62 -0.42 3.16 3.57 -0.81 -0.07 116.94 123.03 3kyq h PHE 42 Ca 0.03 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.47 3kyq h PHE 42 Cb 0.64 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 3kyq h PHE 42 CO 0.08 0.36 -0.06 1.15 -2.23 0.00 0.00 178.31 177.61 3kyq h THR 43 N 0.66 1.27 -0.67 4.41 2.02 -1.05 -2.41 112.91 117.14 3kyq h THR 43 Ca 0.21 -1.14 -0.06 0.00 0.77 0.00 0.00 66.41 66.20 3kyq h THR 43 Cb -0.00 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 3kyq h THR 43 CO -0.08 0.39 0.19 0.28 0.37 0.00 0.00 175.52 176.66 3kyq h SER 44 N 0.61 1.00 -0.20 4.18 0.02 -0.95 -2.17 113.55 116.04 3kyq h SER 44 Ca 0.11 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 3kyq h SER 44 Cb 0.58 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 3kyq h SER 44 CO 0.03 0.95 0.11 -0.61 -1.14 0.00 0.00 176.83 176.17 3kyq h GLN 45 N 0.99 0.29 -0.28 3.45 4.15 -0.97 -2.84 115.11 119.89 3kyq h GLN 45 Ca 0.21 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.53 3kyq h GLN 45 Cb 0.33 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 3kyq h GLN 45 CO -0.00 0.29 -0.12 1.25 -1.93 0.00 0.00 178.83 178.32 3kyq h LEU 46 N 0.21 0.45 -0.53 -2.39 5.85 -1.34 -2.34 115.31 115.22 3kyq h LEU 46 Ca 0.07 -0.11 -0.16 0.00 0.84 0.00 0.00 57.88 58.52 3kyq h LEU 46 Cb 0.09 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3kyq h LEU 46 CO -0.01 0.61 -0.53 0.40 -0.34 0.00 0.00 178.44 178.56 3kyq h ILE 47 N 0.43 1.32 -0.35 4.05 2.04 -1.37 -2.41 117.51 121.23 3kyq h ILE 47 Ca 0.08 -1.77 -0.05 0.00 1.00 0.00 0.00 64.86 64.12 3kyq h ILE 47 Cb 0.48 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 3kyq h ILE 47 CO 0.03 0.55 0.03 0.58 0.00 0.00 0.00 178.15 179.34 3kyq h VAL 48 N 0.44 1.25 -0.26 1.67 2.07 -1.27 -2.44 116.25 117.70 3kyq h VAL 48 Ca 0.01 -0.90 -0.06 0.00 0.82 0.00 0.00 66.70 66.57 3kyq h VAL 48 Cb 1.07 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 3kyq h VAL 48 CO 0.10 0.30 -0.10 -0.33 0.02 0.00 0.00 177.57 177.57 3kyq h GLU 49 N 0.42 0.43 -0.06 1.57 5.08 -1.38 -2.71 114.58 117.93 3kyq h GLU 49 Ca 0.10 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kyq h GLU 49 Cb 0.40 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3kyq h GLU 49 CO 0.01 0.53 0.00 0.54 -1.00 0.00 0.00 179.01 179.09 3kyq n ARG 50 N -4.24 1.96 -4.07 2.33 5.12 -0.91 -4.89 116.66 111.96 3kyq n ARG 50 Ca 0.00 -1.41 -0.33 0.00 -1.93 0.00 0.00 57.85 54.19 3kyq n ARG 50 Cb 0.29 -1.47 -0.07 0.00 -1.16 0.00 0.00 32.46 30.05 3kyq n ARG 50 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3kyq s SER 51 N -1.93 5.81 0.43 0.55 0.01 -0.92 -5.04 113.70 112.61 3kyq s SER 51 Ca 0.34 0.19 -0.22 0.00 1.31 0.00 0.00 55.95 57.58 3kyq s SER 51 Cb 0.20 -1.71 -0.10 0.00 0.21 0.00 0.00 66.02 64.63 3kyq s SER 51 CO 0.31 0.28 0.98 0.00 0.41 0.00 0.00 173.24 175.23 3kyq s ALA 52 N -1.20 3.01 0.38 1.44 0.00 -1.26 -4.94 121.76 119.20 3kyq s ALA 52 Ca 0.23 0.50 -0.28 0.00 0.00 0.00 0.00 51.96 52.41 3kyq s ALA 52 Cb -0.12 -3.19 -0.11 0.00 0.00 0.00 0.00 23.12 19.70 3kyq s ALA 52 CO 0.14 -0.02 1.45 0.15 0.00 0.00 0.00 175.76 177.48 3kyq s LYS 53 N -3.01 4.09 -0.48 0.00 1.02 -1.26 -2.68 119.74 117.40 3kyq s LYS 53 Ca 0.62 2.50 0.00 0.00 0.02 0.00 0.00 55.97 59.11 3kyq s LYS 53 Cb -0.13 -2.94 0.00 0.00 -0.52 0.00 0.00 37.83 34.24 3kyq s LYS 53 CO 0.17 -0.52 0.00 0.41 -0.92 0.00 0.00 175.35 174.49 3kyq n GLY 54 N 0.52 0.65 3.26 -3.33 0.00 0.18 -4.81 105.19 101.66 3kyq n GLY 54 Ca 0.01 -0.83 -0.25 0.00 0.00 0.00 0.00 46.02 44.96 3kyq n GLY 54 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kyq s SER 55 N -2.92 2.49 -0.09 1.61 1.04 -0.79 -4.93 113.70 110.10 3kyq s SER 55 Ca 0.00 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.85 3kyq s SER 55 Cb 0.00 -0.18 -0.02 0.00 0.10 0.00 0.00 66.02 65.91 3kyq s SER 55 CO 0.00 0.12 -0.10 -0.13 0.98 0.00 0.00 173.24 174.12 3kyq s ARG 56 N -1.44 3.02 0.02 4.02 0.52 -1.26 -1.92 118.95 121.90 3kyq s ARG 56 Ca 0.07 -0.61 -0.05 0.00 -0.52 0.00 0.00 55.73 54.62 3kyq s ARG 56 Cb -0.09 -2.61 -0.01 0.00 0.52 0.00 0.00 34.95 32.76 3kyq s ARG 56 CO 0.03 0.47 0.08 0.00 0.02 0.00 0.00 175.30 175.89 3kyq s ALA 57 N -0.29 -0.13 -0.12 2.13 0.00 -0.66 -0.87 121.76 121.83 3kyq s ALA 57 Ca 0.03 -0.37 0.03 0.00 0.00 0.00 0.00 51.96 51.65 3kyq s ALA 57 Cb -0.13 0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.16 3kyq s ALA 57 CO 0.03 -0.22 -0.21 -1.12 0.00 0.00 0.00 175.76 174.23 3kyq s SER 58 N -1.59 2.92 -0.29 0.00 0.01 0.79 -0.76 113.70 114.77 3kyq s SER 58 Ca -0.13 -0.54 -0.06 0.00 1.31 0.00 0.00 55.95 56.53 3kyq s SER 58 Cb -0.07 -1.34 0.02 0.00 0.21 0.00 0.00 66.02 64.84 3kyq s SER 58 CO -0.01 0.09 0.06 -0.69 0.41 0.00 0.00 173.24 173.10 3kyq s VAL 59 N 0.67 3.73 0.11 3.43 1.01 0.20 -0.65 120.40 128.90 3kyq s VAL 59 Ca -0.11 -0.81 -0.22 0.00 0.00 0.00 0.00 61.98 60.83 3kyq s VAL 59 Cb -0.16 -2.94 -0.07 0.00 0.00 0.00 0.00 36.38 33.20 3kyq s VAL 59 CO 0.02 0.07 0.67 -0.75 0.00 0.00 0.00 175.10 175.11 3kyq s LYS 60 N 1.45 4.39 0.00 2.72 2.20 0.66 -1.26 119.74 129.90 3kyq s LYS 60 Ca 0.01 0.94 0.00 0.00 -0.36 0.00 0.00 55.97 56.57 3kyq s LYS 60 Cb -0.17 -3.26 0.00 0.00 -1.51 0.00 0.00 37.83 32.89 3kyq s LYS 60 CO 0.01 0.58 0.00 -1.91 -0.36 0.00 0.00 175.35 173.67 3kyq n GLU 61 N 1.75 0.00 0.00 4.03 4.07 -1.17 -3.44 120.64 125.88 3kyq n GLU 61 Ca -0.08 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.02 3kyq n GLU 61 Cb 0.50 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.88 3kyq n GLU 61 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 3kyq n GLN 62 N 0.00 0.00 -0.12 5.31 1.13 -1.26 -4.83 117.38 117.61 3kyq n GLN 62 Ca 0.00 0.00 0.08 0.00 -1.94 0.00 0.00 57.00 55.14 3kyq n GLN 62 Cb 0.00 0.00 0.27 0.00 0.11 0.00 0.00 30.24 30.62 3kyq n GLN 62 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 3kyq n GLU 63 N 0.00 1.74 -3.98 -1.09 0.28 -1.26 -4.93 120.64 111.40 3kyq n GLU 63 Ca 0.00 -1.13 -0.23 0.00 -0.16 0.00 0.00 57.16 55.65 3kyq n GLU 63 Cb 0.00 -1.33 -0.03 0.00 1.43 0.00 0.00 31.44 31.52 3kyq n GLU 63 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 3kyq s TYR 64 N -1.68 3.43 -0.07 -1.84 2.02 -1.26 -0.80 117.35 117.15 3kyq s TYR 64 Ca 0.28 0.02 -0.01 0.00 -0.37 0.00 0.00 57.07 56.98 3kyq s TYR 64 Cb 0.15 -1.59 0.03 0.00 -0.40 0.00 0.00 41.96 40.15 3kyq s TYR 64 CO 0.21 0.47 -0.01 -1.17 -1.57 0.00 0.00 175.55 173.48 3kyq s LEU 65 N -3.72 0.75 -0.37 -1.29 2.96 -0.43 -3.07 118.68 113.50 3kyq s LEU 65 Ca 0.34 -0.10 -0.11 0.00 -0.22 0.00 0.00 54.13 54.04 3kyq s LEU 65 Cb -0.10 -0.46 0.03 0.00 0.50 0.00 0.00 46.19 46.17 3kyq s LEU 65 CO 0.28 -0.17 0.21 0.00 -1.32 0.00 0.00 176.35 175.35 3kyq s HIS 67 N 1.56 3.40 0.03 0.00 0.09 -0.24 -0.63 115.29 119.51 3kyq s HIS 67 Ca 0.02 0.50 0.07 0.00 -0.00 0.00 0.00 55.06 55.65 3kyq s HIS 67 Cb -0.19 -2.36 -0.02 0.00 -0.00 0.00 0.00 32.58 30.01 3kyq s HIS 67 CO 0.07 0.14 -0.20 0.54 -0.00 0.00 0.00 174.74 175.29 3kyq s VAL 68 N 0.80 1.62 -0.22 -0.90 0.11 0.06 -1.06 120.40 120.82 3kyq s VAL 68 Ca 0.15 -1.14 -0.02 0.00 -2.93 0.00 0.00 61.98 58.04 3kyq s VAL 68 Cb -0.13 -1.40 0.07 0.00 -1.53 0.00 0.00 36.38 33.38 3kyq s VAL 68 CO 0.04 0.23 0.03 -0.47 -3.33 0.00 0.00 175.10 171.61 3kyq s TYR 69 N -0.75 1.29 -0.41 1.54 5.04 -0.62 -1.66 117.35 121.78 3kyq s TYR 69 Ca 0.07 -1.09 -0.16 0.00 -2.44 0.00 0.00 57.07 53.45 3kyq s TYR 69 Cb -0.09 -1.18 0.02 0.00 0.35 0.00 0.00 41.96 41.06 3kyq s TYR 69 CO 0.01 -0.67 0.39 0.08 -1.34 0.00 0.00 175.55 174.02 3kyq s VAL 70 N 1.77 5.14 0.79 3.14 1.01 -0.81 -1.37 120.40 130.07 3kyq s VAL 70 Ca -0.00 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 3kyq s VAL 70 Cb -0.17 -3.99 0.06 0.00 0.00 0.00 0.00 36.38 32.28 3kyq s VAL 70 CO -0.10 -0.37 1.11 -0.13 0.00 0.00 0.00 175.10 175.61 3kyq s ARG 71 N 1.99 2.17 0.17 2.72 0.52 0.20 0.48 118.95 127.19 3kyq s ARG 71 Ca 0.10 0.48 0.21 0.00 -0.52 0.00 0.00 55.73 56.00 3kyq s ARG 71 Cb -0.18 -1.94 0.87 0.00 0.52 0.00 0.00 34.95 34.23 3kyq s ARG 71 CO 0.12 -1.53 1.65 -1.13 0.02 0.00 0.00 175.30 174.44 3kyq n SER 72 N -3.34 0.47 -0.72 0.23 3.41 -1.26 -2.24 113.62 110.15 3kyq n SER 72 Ca 0.07 0.61 0.11 0.00 -0.26 0.00 0.00 58.87 59.40 3kyq n SER 72 Cb 0.57 -0.71 0.32 0.00 -0.26 0.00 0.00 64.21 64.13 3kyq n SER 72 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3kyq n ASP 73 N -2.01 2.17 0.00 4.04 3.85 -1.26 -4.90 116.55 118.45 3kyq n ASP 73 Ca 0.03 -1.80 0.00 0.00 -0.71 0.00 0.00 54.79 52.31 3kyq n ASP 73 Cb 0.23 -0.15 0.00 0.00 -1.35 0.00 0.00 41.12 39.85 3kyq n ASP 73 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3kyq n SER 74 N 0.66 -1.47 -4.72 -1.12 7.64 -0.95 -5.01 113.62 108.65 3kyq n SER 74 Ca 0.17 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.65 3kyq n SER 74 Cb 0.41 -0.24 -0.05 0.00 -1.01 0.00 0.00 64.21 63.32 3kyq n SER 74 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3kyq s LEU 75 N 0.00 4.34 0.05 -3.43 2.96 -1.26 -0.73 118.68 120.60 3kyq s LEU 75 Ca 0.00 1.23 0.06 0.00 -0.22 0.00 0.00 54.13 55.20 3kyq s LEU 75 Cb 0.00 -3.11 -0.02 0.00 0.50 0.00 0.00 46.19 43.56 3kyq s LEU 75 CO 0.00 -0.10 -0.18 0.00 -1.32 0.00 0.00 176.35 174.75 3kyq s ALA 76 N 0.67 1.53 -0.01 5.97 0.00 -0.07 -0.63 121.76 129.22 3kyq s ALA 76 Ca 0.38 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 51.41 3kyq s ALA 76 Cb -0.18 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 3kyq s ALA 76 CO 0.19 0.32 -0.20 0.20 0.00 0.00 0.00 175.76 176.27 3kyq s GLY 77 N -1.24 1.00 -0.08 0.00 0.00 -0.47 -0.16 107.32 106.37 3kyq s GLY 77 Ca 0.05 -0.89 0.02 0.00 0.00 0.00 0.00 44.72 43.90 3kyq s GLY 77 CO 0.02 -0.75 -0.12 0.14 0.00 0.00 0.00 173.10 172.39 3kyq s VAL 78 N -0.51 1.17 -0.16 1.40 1.01 -0.10 -1.59 120.40 121.63 3kyq s VAL 78 Ca 0.08 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.59 3kyq s VAL 78 Cb -0.08 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.21 3kyq s VAL 78 CO -0.01 0.37 -0.16 0.54 0.00 0.00 0.00 175.10 175.84 3kyq s VAL 79 N 0.86 2.57 -0.25 2.92 0.11 -0.22 -1.15 120.40 125.24 3kyq s VAL 79 Ca -0.11 -0.80 -0.09 0.00 -2.93 0.00 0.00 61.98 58.05 3kyq s VAL 79 Cb -0.15 -2.08 -0.04 0.00 -1.53 0.00 0.00 36.38 32.57 3kyq s VAL 79 CO 0.01 0.52 0.13 -0.63 -3.33 0.00 0.00 175.10 171.80 3kyq s ILE 80 N 0.85 4.92 0.36 7.04 1.01 -0.22 -1.07 121.20 134.09 3kyq s ILE 80 Ca -0.05 0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.68 3kyq s ILE 80 Cb -0.15 -3.31 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 3kyq s ILE 80 CO -0.01 0.32 0.16 0.00 0.00 0.00 0.00 174.94 175.41 3kyq s ALA 81 N 1.41 2.46 0.46 9.38 0.00 -0.74 -0.07 121.76 134.67 3kyq s ALA 81 Ca 0.06 -1.55 -0.21 0.00 0.00 0.00 0.00 51.96 50.26 3kyq s ALA 81 Cb -0.15 0.98 -0.09 0.00 0.00 0.00 0.00 23.12 23.86 3kyq s ALA 81 CO 0.06 -0.44 1.02 -0.51 0.00 0.00 0.00 175.76 175.90 3kyq s ASP 82 N -3.50 6.53 0.48 0.00 1.01 -0.22 -1.32 116.67 119.66 3kyq s ASP 82 Ca 0.30 1.90 0.21 0.00 0.71 0.00 0.00 52.55 55.67 3kyq s ASP 82 Cb 0.03 -2.56 1.24 0.00 1.01 0.00 0.00 42.92 42.64 3kyq s ASP 82 CO 0.17 -0.65 1.97 0.77 0.21 0.00 0.00 175.17 177.64 3kyq h SER 83 N 1.80 0.18 1.43 0.27 4.64 -1.21 -1.87 113.55 118.78 3kyq h SER 83 Ca -0.49 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.82 3kyq h SER 83 Cb 1.21 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3kyq h SER 83 CO 0.60 0.09 -0.06 1.05 -0.87 0.00 0.00 176.83 177.64 3kyq h GLU 84 N 0.19 0.00 -6.62 4.77 -0.00 -1.93 -3.45 114.58 107.54 3kyq h GLU 84 Ca 0.30 0.00 -0.52 0.00 -0.00 0.00 0.00 59.36 59.14 3kyq h GLU 84 Cb 0.91 0.00 0.05 0.00 -0.00 0.00 0.00 28.75 29.71 3kyq h GLU 84 CO -0.05 0.06 0.99 -0.47 -0.00 0.00 0.00 179.01 179.54 3kyq s TYR 85 N -3.44 2.84 -0.07 2.06 5.04 -0.70 -4.88 117.35 118.21 3kyq s TYR 85 Ca 0.04 0.38 -0.29 0.00 -2.44 0.00 0.00 57.07 54.75 3kyq s TYR 85 Cb 0.07 -4.08 -0.07 0.00 0.35 0.00 0.00 41.96 38.24 3kyq s TYR 85 CO 0.62 -4.12 1.96 -1.25 -1.34 0.00 0.00 175.55 171.42 3kyq s PRO 86 N 1.40 3.85 0.39 4.97 0.04 -1.26 -4.88 135.00 139.51 3kyq s PRO 86 Ca 0.74 2.31 0.06 0.00 0.04 0.00 0.00 61.00 64.15 3kyq s PRO 86 Cb -0.47 -4.18 0.80 0.00 0.04 0.00 0.00 34.50 30.68 3kyq s PRO 86 CO 0.32 -1.28 2.03 0.77 0.04 0.00 0.00 177.00 178.88 3kyq h SER 87 N 11.64 0.56 -0.45 6.66 0.02 -1.90 -2.31 113.55 127.78 3kyq h SER 87 Ca -0.45 -0.01 0.08 0.00 -0.84 0.00 0.00 61.79 60.57 3kyq h SER 87 Cb 1.22 -0.13 -0.07 0.00 0.14 0.00 0.00 62.40 63.56 3kyq h SER 87 CO 0.95 0.39 0.06 0.03 -1.14 0.00 0.00 176.83 177.13 3kyq h ARG 88 N 0.66 0.18 0.00 3.45 -0.00 -2.01 -2.01 114.38 114.65 3kyq h ARG 88 Ca 0.21 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.98 59.59 3kyq h ARG 88 Cb 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 29.97 29.94 3kyq h ARG 88 CO -0.05 0.12 -0.40 -0.39 0.00 0.00 0.00 179.97 179.25 3kyq h VAL 89 N 0.19 0.80 -0.43 2.04 -1.51 -1.82 -2.65 116.25 112.87 3kyq h VAL 89 Ca 0.22 -1.73 -0.05 0.00 -1.23 0.00 0.00 66.70 63.90 3kyq h VAL 89 Cb 0.30 2.11 -0.02 0.00 -2.13 0.00 0.00 31.29 31.55 3kyq h VAL 89 CO -0.31 0.39 0.06 0.00 -1.23 0.00 0.00 177.57 176.47 3kyq h ALA 90 N 1.60 0.57 -0.11 5.19 0.00 -1.08 -0.80 119.26 124.63 3kyq h ALA 90 Ca -0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 3kyq h ALA 90 Cb 1.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3kyq h ALA 90 CO 0.05 0.30 -0.47 0.74 0.00 0.00 0.00 179.25 179.87 3kyq h PHE 91 N 0.57 0.32 -0.41 0.00 0.04 -1.36 -1.53 116.94 114.57 3kyq h PHE 91 Ca 0.13 -0.10 0.04 0.00 2.80 0.00 0.00 57.97 60.84 3kyq h PHE 91 Cb 0.40 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.44 3kyq h PHE 91 CO 0.03 0.69 0.18 1.15 -0.60 0.00 0.00 178.31 179.76 3kyq h THR 92 N 0.22 0.93 -0.33 -1.55 2.02 -1.31 0.17 112.91 113.06 3kyq h THR 92 Ca 0.01 -0.13 0.05 0.00 0.77 0.00 0.00 66.41 67.12 3kyq h THR 92 Cb 0.91 0.53 -0.05 0.00 -1.74 0.00 0.00 68.15 67.80 3kyq h THR 92 CO 0.07 0.07 0.04 0.25 0.37 0.00 0.00 175.52 176.33 3kyq h LEU 93 N 0.37 -0.03 -0.87 2.58 5.85 -0.80 -1.79 115.31 120.61 3kyq h LEU 93 Ca 0.18 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 3kyq h LEU 93 Cb 0.12 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3kyq h LEU 93 CO -0.15 0.02 0.03 -0.07 -0.34 0.00 0.00 178.44 177.93 3kyq h LEU 94 N 0.15 0.83 -0.59 2.25 3.38 -1.08 -2.17 115.31 118.09 3kyq h LEU 94 Ca 0.16 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3kyq h LEU 94 Cb 0.19 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3kyq h LEU 94 CO -0.22 0.88 0.38 -0.08 0.09 0.00 0.00 178.44 179.48 3kyq h GLU 95 N 0.81 0.79 -0.18 1.13 4.57 -0.71 -2.38 114.58 118.61 3kyq h GLU 95 Ca 0.16 -0.06 -0.18 0.00 -1.18 0.00 0.00 59.36 58.10 3kyq h GLU 95 Cb 0.44 -0.17 0.01 0.00 -0.16 0.00 0.00 28.75 28.87 3kyq h GLU 95 CO 0.02 0.54 -0.61 -0.22 -1.18 0.00 0.00 179.01 177.56 3kyq h LYS 96 N 0.80 0.73 -0.11 1.92 3.11 -1.16 -2.65 116.57 119.21 3kyq h LYS 96 Ca 0.21 -0.54 -0.22 0.00 -2.81 0.00 0.00 60.65 57.29 3kyq h LYS 96 Cb -0.06 0.10 0.01 0.00 -1.00 0.00 0.00 32.23 31.28 3kyq h LYS 96 CO -0.04 1.16 -0.80 -0.39 -2.81 0.00 0.00 179.45 176.57 3kyq h VAL 97 N 0.45 1.29 -0.27 2.00 -1.51 -1.39 -2.09 116.25 114.73 3kyq h VAL 97 Ca -0.02 -2.01 -0.06 0.00 -1.23 0.00 0.00 66.70 63.37 3kyq h VAL 97 Cb 1.23 2.10 -0.02 0.00 -2.13 0.00 0.00 31.29 32.48 3kyq h VAL 97 CO 0.13 0.63 -0.09 -0.07 -1.23 0.00 0.00 177.57 176.94 3kyq h LEU 98 N 0.45 0.42 0.47 4.19 3.38 -1.53 0.16 115.31 122.86 3kyq h LEU 98 Ca -0.07 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3kyq h LEU 98 Cb 1.44 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.09 3kyq h LEU 98 CO 0.16 0.55 -0.23 -0.78 0.09 0.00 0.00 178.44 178.24 3kyq h ASP 99 N 0.41 -0.54 -0.28 -0.43 1.82 -1.42 -2.26 116.42 113.74 3kyq h ASP 99 Ca 0.08 -0.07 -0.05 0.00 -0.39 0.00 0.00 57.03 56.61 3kyq h ASP 99 Cb 0.41 0.14 -0.02 0.00 0.68 0.00 0.00 39.33 40.54 3kyq h ASP 99 CO 0.02 -0.24 0.03 -0.08 -1.61 0.00 0.00 179.24 177.36 3kyq h GLU 100 N -0.84 0.58 -0.01 0.28 4.81 -1.21 -1.81 114.58 116.38 3kyq h GLU 100 Ca -0.06 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.04 3kyq h GLU 100 Cb 0.57 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 3kyq h GLU 100 CO 0.11 0.58 -0.00 0.35 -0.73 0.00 0.00 179.01 179.31 3kyq h PHE 101 N 0.56 0.02 0.00 0.92 3.57 -0.71 -2.09 116.94 119.20 3kyq h PHE 101 Ca 0.12 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 3kyq h PHE 101 Cb 0.31 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.04 3kyq h PHE 101 CO 0.01 0.38 -0.10 0.66 -2.23 0.00 0.00 178.31 177.04 3kyq h SER 102 N -0.35 0.00 0.75 0.41 4.64 -1.23 0.87 113.55 118.64 3kyq h SER 102 Ca 0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 3kyq h SER 102 Cb 0.38 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 3kyq h SER 102 CO 0.00 0.10 -0.91 0.11 -0.87 0.00 0.00 176.83 175.26 3kyq h LYS 103 N 0.00 0.09 0.05 4.77 1.57 -1.24 -3.38 116.57 118.44 3kyq h LYS 103 Ca -0.00 -0.12 -0.35 0.00 -1.87 0.00 0.00 60.65 58.31 3kyq h LYS 103 Cb 0.31 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 3kyq h LYS 103 CO 0.01 0.94 -1.97 1.04 -0.57 0.00 0.00 179.45 178.90 3kyq n GLN 104 N -3.55 0.67 -3.65 3.15 6.02 -0.78 -4.89 117.38 114.35 3kyq n GLN 104 Ca -0.02 0.32 -0.39 0.00 -0.01 0.00 0.00 57.00 56.90 3kyq n GLN 104 Cb 0.84 -1.66 -0.12 0.00 1.02 0.00 0.00 30.24 30.33 3kyq n GLN 104 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3kyq s VAL 105 N -2.49 4.41 0.31 5.09 1.01 0.29 -5.06 120.40 123.95 3kyq s VAL 105 Ca -0.29 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 60.62 3kyq s VAL 105 Cb 0.08 -3.40 -0.11 0.00 0.00 0.00 0.00 36.38 32.95 3kyq s VAL 105 CO 0.66 -0.13 1.46 -0.62 0.00 0.00 0.00 175.10 176.46 3kyq s ASP 106 N 1.54 6.54 0.26 3.32 2.15 -1.26 -4.51 116.67 124.71 3kyq s ASP 106 Ca 0.02 2.83 0.17 0.00 0.43 0.00 0.00 52.55 56.00 3kyq s ASP 106 Cb -0.19 -2.64 0.92 0.00 -0.30 0.00 0.00 42.92 40.71 3kyq s ASP 106 CO 0.06 -0.76 1.50 -2.11 -0.17 0.00 0.00 175.17 173.69 3kyq n ARG 107 N 1.50 0.11 0.23 4.34 1.85 -1.26 -1.34 116.66 122.10 3kyq n ARG 107 Ca 0.04 0.60 0.11 0.00 -1.00 0.00 0.00 57.85 57.60 3kyq n ARG 107 Cb 0.40 -1.89 0.55 0.00 -1.05 0.00 0.00 32.46 30.46 3kyq n ARG 107 CO 0.00 0.00 0.00 0.97 -0.01 0.00 0.00 177.63 178.59 3kyq h ILE 108 N 0.00 0.58 0.00 8.89 2.10 -2.03 -2.72 117.51 124.33 3kyq h ILE 108 Ca 0.00 -0.94 0.00 0.00 1.08 0.00 0.00 64.86 65.00 3kyq h ILE 108 Cb 0.06 1.63 0.00 0.00 -1.09 0.00 0.00 36.82 37.42 3kyq h ILE 108 CO 0.00 0.19 -0.39 0.47 -1.08 0.00 0.00 178.15 177.34 3kyq n ASP 109 N -3.48 0.60 -0.03 2.19 10.43 -0.45 -4.42 116.55 121.39 3kyq n ASP 109 Ca -0.01 0.20 -0.13 0.00 2.57 0.00 0.00 54.79 57.43 3kyq n ASP 109 Cb 0.37 -0.11 -0.08 0.00 1.84 0.00 0.00 41.12 43.13 3kyq n ASP 109 CO 0.00 0.00 0.00 -0.50 -1.07 0.00 0.00 177.20 175.63 3kyq h TRP 110 N 0.00 0.18 0.00 1.24 6.55 -1.60 -1.55 115.95 120.77 3kyq h TRP 110 Ca 0.00 -0.04 -0.06 0.00 0.95 0.00 0.00 58.89 59.74 3kyq h TRP 110 Cb 0.67 -0.04 -0.01 0.00 -0.86 0.00 0.00 29.16 28.92 3kyq h TRP 110 CO 0.00 0.53 -0.27 -1.35 -1.05 0.00 0.00 178.44 176.30 3kyq h PRO 111 N -0.22 0.00 -0.12 0.49 0.11 -1.77 -2.63 132.00 127.85 3kyq h PRO 111 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3kyq h PRO 111 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 3kyq h PRO 111 CO 0.01 0.27 0.00 1.33 -0.21 0.00 0.00 178.00 179.40 3kyq n VAL 112 N -4.16 2.02 -1.87 3.15 0.24 -1.25 -5.00 118.33 111.47 3kyq n VAL 112 Ca -0.02 -2.03 -0.30 0.00 -2.04 0.00 0.00 64.34 59.94 3kyq n VAL 112 Cb 0.32 -0.21 0.03 0.00 -1.47 0.00 0.00 33.84 32.52 3kyq n VAL 112 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3kyq s GLY 113 N -2.36 1.64 0.18 7.63 0.00 -0.58 -5.06 107.32 108.77 3kyq s GLY 113 Ca 0.35 -0.23 -0.16 0.00 0.00 0.00 0.00 44.72 44.68 3kyq s GLY 113 CO 0.06 0.10 0.47 -1.35 0.00 0.00 0.00 173.10 172.37 3kyq s SER 114 N -4.27 -0.21 0.33 1.64 1.04 -1.26 -4.79 113.70 106.19 3kyq s SER 114 Ca 0.57 -0.52 0.08 0.00 0.48 0.00 0.00 55.95 56.56 3kyq s SER 114 Cb -0.11 0.54 0.79 0.00 0.10 0.00 0.00 66.02 67.34 3kyq s SER 114 CO 0.53 -1.00 1.81 -0.65 0.98 0.00 0.00 173.24 174.90 3kyq h PRO 115 N 2.27 0.70 0.00 4.02 0.11 -1.60 -0.60 132.00 136.91 3kyq h PRO 115 Ca -0.30 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.74 3kyq h PRO 115 Cb 1.26 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3kyq h PRO 115 CO 0.40 0.46 -0.15 0.00 -0.21 0.00 0.00 178.00 178.50 3kyq h ALA 116 N 1.62 1.74 -0.00 -0.75 0.00 -1.96 -3.09 119.26 116.82 3kyq h ALA 116 Ca 0.54 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3kyq h ALA 116 Cb 0.89 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3kyq h ALA 116 CO -0.31 0.19 -0.72 0.25 0.00 0.00 0.00 179.25 178.66 3kyq n THR 117 N -4.34 0.00 -3.84 0.00 -2.24 -0.57 -4.93 114.28 98.36 3kyq n THR 117 Ca -0.03 -0.14 -0.36 0.00 -2.27 0.00 0.00 64.05 61.26 3kyq n THR 117 Cb 0.22 1.03 -0.10 0.00 -2.10 0.00 0.00 70.33 69.37 3kyq n THR 117 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3kyq s ILE 118 N -2.48 4.86 -0.45 2.28 -1.09 -0.34 -4.88 121.20 119.11 3kyq s ILE 118 Ca 0.07 0.00 -0.08 0.00 -2.23 0.00 0.00 60.65 58.41 3kyq s ILE 118 Cb 0.13 -3.24 0.11 0.00 -1.58 0.00 0.00 42.46 37.88 3kyq s ILE 118 CO 0.64 0.39 0.31 -1.00 -1.23 0.00 0.00 174.94 174.05 3kyq s HIS 119 N 0.92 3.44 -0.25 3.97 3.76 -1.26 -4.85 115.29 121.01 3kyq s HIS 119 Ca 0.05 -1.91 -0.03 0.00 -0.15 0.00 0.00 55.06 53.02 3kyq s HIS 119 Cb -0.14 -3.37 0.14 0.00 1.11 0.00 0.00 32.58 30.32 3kyq s HIS 119 CO 0.03 -0.97 0.43 -0.47 -0.85 0.00 0.00 174.74 172.91 3kyq s TYR 120 N 1.34 -0.99 -1.63 1.40 6.14 -1.26 -4.90 117.35 117.45 3kyq s TYR 120 Ca 0.06 1.14 0.18 0.00 0.64 0.00 0.00 57.07 59.08 3kyq s TYR 120 Cb -0.25 0.19 0.00 0.00 0.42 0.00 0.00 41.96 42.32 3kyq s TYR 120 CO -0.01 -0.72 0.91 0.25 0.64 0.00 0.00 175.55 176.62 3kyq n THR 121 N 5.38 0.00 0.32 4.34 -2.24 -1.26 -4.57 114.28 116.25 3kyq n THR 121 Ca -0.04 -0.33 0.15 0.00 -2.27 0.00 0.00 64.05 61.56 3kyq n THR 121 Cb 0.50 1.21 0.52 0.00 -2.10 0.00 0.00 70.33 70.47 3kyq n THR 121 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kyq h ALA 122 N 3.05 1.00 -0.71 6.98 0.00 -2.02 -3.35 119.26 124.21 3kyq h ALA 122 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3kyq h ALA 122 Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3kyq h ALA 122 CO 0.00 0.00 0.29 1.25 0.00 0.00 0.00 179.25 180.79 3kyq h LEU 123 N 0.00 0.96 -1.26 0.00 5.85 -1.97 -1.37 115.31 117.51 3kyq h LEU 123 Ca 0.00 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.51 3kyq h LEU 123 Cb 0.59 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3kyq h LEU 123 CO 0.00 0.85 -0.37 0.44 -0.34 0.00 0.00 178.44 179.02 3kyq h ASP 124 N 1.03 0.00 -0.21 1.25 3.32 -1.91 -2.87 116.42 117.02 3kyq h ASP 124 Ca 0.24 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.18 3kyq h ASP 124 Cb 0.18 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 3kyq h ASP 124 CO -0.02 0.37 -0.29 1.23 -1.72 0.00 0.00 179.24 178.81 3kyq h GLY 125 N 1.11 0.62 1.00 2.75 0.00 -1.49 -2.73 103.07 104.33 3kyq h GLY 125 Ca -0.00 -0.68 -0.07 0.00 0.00 0.00 0.00 47.33 46.58 3kyq h GLY 125 CO 0.05 0.61 0.02 0.45 0.00 0.00 0.00 176.54 177.67 3kyq h HIS 126 N 0.24 0.93 -0.62 5.60 3.86 -1.39 -0.67 115.15 123.09 3kyq h HIS 126 Ca 0.02 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.07 3kyq h HIS 126 Cb 0.87 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 29.06 3kyq h HIS 126 CO 0.08 0.86 0.36 1.25 0.86 0.00 0.00 177.93 181.35 3kyq h LEU 127 N 0.72 0.76 -0.52 2.43 5.85 -1.58 -0.21 115.31 122.75 3kyq h LEU 127 Ca 0.14 -0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.68 3kyq h LEU 127 Cb 0.48 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3kyq h LEU 127 CO 0.02 0.61 -0.10 -1.28 -0.34 0.00 0.00 178.44 177.35 3kyq h SER 128 N 0.84 1.00 0.37 1.25 0.87 -1.35 -2.95 113.55 113.59 3kyq h SER 128 Ca 0.22 -0.35 -0.13 0.00 -1.23 0.00 0.00 61.79 60.30 3kyq h SER 128 Cb 0.01 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.68 3kyq h SER 128 CO -0.04 1.12 -0.56 -0.09 -0.53 0.00 0.00 176.83 176.73 3kyq h ARG 129 N 0.87 0.20 -0.01 2.24 2.43 -0.87 -3.12 114.38 116.12 3kyq h ARG 129 Ca 0.14 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3kyq h ARG 129 Cb 0.67 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 3kyq h ARG 129 CO 0.05 0.71 -0.01 0.66 -1.51 0.00 0.00 179.97 179.87 3kyq n TYR 130 N -3.90 0.00 -0.01 2.20 4.02 -0.11 -3.51 117.16 115.84 3kyq n TYR 130 Ca -0.02 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.97 3kyq n TYR 130 Cb 0.58 -0.01 0.51 0.00 -0.02 0.00 0.00 39.34 40.41 3kyq n TYR 130 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 3kyq h GLN 131 N 1.53 0.36 -4.42 -0.72 1.08 -1.45 -3.30 115.11 108.19 3kyq h GLN 131 Ca 0.00 -0.02 -0.72 0.00 -1.45 0.00 0.00 58.65 56.46 3kyq h GLN 131 Cb 0.34 -0.08 -0.28 0.00 -0.05 0.00 0.00 27.48 27.41 3kyq h GLN 131 CO 0.00 0.24 -0.45 1.21 -0.95 0.00 0.00 178.83 178.88 3kyq s ASN 132 N -6.46 5.67 0.56 1.46 3.04 -1.23 -4.88 114.94 113.11 3kyq s ASN 132 Ca -0.07 -1.56 0.29 0.00 0.04 0.00 0.00 52.86 51.56 3kyq s ASN 132 Cb 0.19 -2.00 1.47 0.00 -1.54 0.00 0.00 41.25 39.37 3kyq s ASN 132 CO 0.73 -0.57 1.93 -0.65 -3.04 0.00 0.00 177.10 175.51 3kyq h PRO 133 N 8.43 0.00 -0.28 0.43 0.11 -1.85 -2.20 132.00 136.64 3kyq h PRO 133 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3kyq h PRO 133 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3kyq h PRO 133 CO 0.78 0.00 0.18 -0.09 -0.21 0.00 0.00 178.00 178.66 3kyq h ARG 134 N 0.00 0.37 -0.95 1.05 2.43 -1.93 -1.76 114.38 113.60 3kyq h ARG 134 Ca 0.27 -0.02 -0.24 0.00 -0.81 0.00 0.00 59.98 59.17 3kyq h ARG 134 Cb 1.23 -0.08 -0.14 0.00 -0.42 0.00 0.00 29.97 30.55 3kyq h ARG 134 CO -0.00 0.25 0.31 0.39 -1.51 0.00 0.00 179.97 179.41 3kyq n GLU 135 N -4.49 2.05 -2.19 0.20 4.71 -0.82 -4.94 120.64 115.15 3kyq n GLU 135 Ca 0.01 -1.78 -0.42 0.00 -0.01 0.00 0.00 57.16 54.96 3kyq n GLU 135 Cb 0.07 -1.74 -0.03 0.00 -1.01 0.00 0.00 31.44 28.73 3kyq n GLU 135 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3kyq s ALA 136 N -1.95 3.57 -0.11 0.62 0.00 -0.66 -4.87 121.76 118.35 3kyq s ALA 136 Ca 0.33 1.10 -0.29 0.00 0.00 0.00 0.00 51.96 53.10 3kyq s ALA 136 Cb 0.27 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.82 3kyq s ALA 136 CO 0.07 -0.59 1.73 0.16 0.00 0.00 0.00 175.76 177.13 3kyq s ASP 137 N 0.96 6.44 -0.55 0.00 1.47 -1.26 -4.93 116.67 118.80 3kyq s ASP 137 Ca 0.63 2.07 -0.20 0.00 1.18 0.00 0.00 52.55 56.23 3kyq s ASP 137 Cb -0.36 -2.53 0.07 0.00 -0.34 0.00 0.00 42.92 39.76 3kyq s ASP 137 CO 0.32 -1.14 0.71 -2.16 0.68 0.00 0.00 175.17 173.58 3kyq s PRO 138 N 4.49 3.11 -0.45 2.11 0.04 -1.26 -4.98 135.00 138.06 3kyq s PRO 138 Ca 0.77 -0.97 -0.18 0.00 0.04 0.00 0.00 61.00 60.66 3kyq s PRO 138 Cb -0.32 -4.16 0.04 0.00 0.04 0.00 0.00 34.50 30.09 3kyq s PRO 138 CO 0.31 -1.41 0.51 1.41 0.04 0.00 0.00 177.00 177.87 3kyq s MET 139 N 2.90 3.12 0.36 4.56 1.75 -1.26 -4.93 119.30 125.81 3kyq s MET 139 Ca 0.16 -0.79 0.14 0.00 -1.25 0.00 0.00 55.69 53.95 3kyq s MET 139 Cb -0.20 -4.01 0.70 0.00 2.84 0.00 0.00 34.83 34.15 3kyq s MET 139 CO 0.10 -0.99 1.79 0.77 -0.65 0.00 0.00 175.02 176.05 3kyq h SER 140 N 8.82 0.00 0.02 1.11 0.02 -1.98 -1.83 113.55 119.72 3kyq h SER 140 Ca -0.27 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.58 3kyq h SER 140 Cb 1.10 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 3kyq h SER 140 CO 0.86 0.40 -0.31 0.11 -1.14 0.00 0.00 176.83 176.76 3kyq h LYS 141 N 0.00 0.42 0.00 3.45 6.56 -1.99 -0.17 116.57 124.84 3kyq h LYS 141 Ca -0.00 -0.17 -0.06 0.00 -1.06 0.00 0.00 60.65 59.36 3kyq h LYS 141 Cb 0.74 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.37 3kyq h LYS 141 CO 0.05 0.69 -0.74 -0.39 -2.06 0.00 0.00 179.45 177.00 3kyq h VAL 142 N 0.37 0.28 -0.42 0.50 -1.51 -1.96 -3.04 116.25 110.47 3kyq h VAL 142 Ca 0.05 -1.46 -0.09 0.00 -1.23 0.00 0.00 66.70 63.97 3kyq h VAL 142 Cb 0.72 1.92 -0.01 0.00 -2.13 0.00 0.00 31.29 31.79 3kyq h VAL 142 CO 0.06 0.16 -0.09 -0.61 -1.23 0.00 0.00 177.57 175.86 3kyq h GLN 143 N 0.00 0.79 0.00 5.19 5.75 -0.78 1.30 115.11 127.36 3kyq h GLN 143 Ca -0.04 -0.30 -0.09 0.00 -0.15 0.00 0.00 58.65 58.07 3kyq h GLN 143 Cb 1.20 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.69 3kyq h GLN 143 CO 0.02 0.91 -0.45 0.00 -2.65 0.00 0.00 178.83 176.67 3kyq h ALA 144 N 0.86 1.21 -0.18 3.38 0.00 -1.17 -0.84 119.26 122.53 3kyq h ALA 144 Ca 0.11 -0.41 -0.17 0.00 0.00 0.00 0.00 54.91 54.44 3kyq h ALA 144 Cb 0.61 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3kyq h ALA 144 CO 0.04 0.56 -0.54 1.49 0.00 0.00 0.00 179.25 180.80 3kyq h GLU 145 N 0.00 0.68 -0.27 0.00 4.81 -1.32 -3.19 114.58 115.29 3kyq h GLU 145 Ca -0.00 -0.49 -0.13 0.00 -0.13 0.00 0.00 59.36 58.61 3kyq h GLU 145 Cb 0.81 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 3kyq h GLU 145 CO 0.06 1.11 -0.35 -0.07 -0.73 0.00 0.00 179.01 179.03 3kyq h LEU 146 N 0.36 0.62 -1.48 1.64 3.38 0.18 -2.68 115.31 117.34 3kyq h LEU 146 Ca -0.02 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.70 3kyq h LEU 146 Cb 1.16 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 3kyq h LEU 146 CO 0.12 0.92 0.36 0.44 0.09 0.00 0.00 178.44 180.36 3kyq h ASP 147 N 0.50 0.60 -0.54 -0.43 5.19 -1.22 -0.63 116.42 119.89 3kyq h ASP 147 Ca 0.05 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 3kyq h ASP 147 Cb 0.85 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.21 3kyq h ASP 147 CO 0.07 0.43 0.00 -0.62 -3.12 0.00 0.00 179.24 176.01 3kyq n GLU 148 N -4.46 2.85 -3.96 3.56 1.02 -1.16 -4.88 120.64 113.60 3kyq n GLU 148 Ca 0.05 -2.20 -0.35 0.00 -0.02 0.00 0.00 57.16 54.64 3kyq n GLU 148 Cb 0.06 -1.64 -0.10 0.00 -0.02 0.00 0.00 31.44 29.74 3kyq n GLU 148 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3kyq s THR 149 N -1.56 4.75 0.29 2.62 2.01 -0.24 -5.07 115.64 118.44 3kyq s THR 149 Ca 0.40 -0.04 -0.16 0.00 0.31 0.00 0.00 61.69 62.20 3kyq s THR 149 Cb 0.24 -3.15 -0.09 0.00 0.01 0.00 0.00 72.50 69.51 3kyq s THR 149 CO 0.22 0.44 0.72 -1.59 -0.69 0.00 0.00 174.62 173.73 3kyq s LYS 150 N 0.57 4.06 -0.04 4.92 -2.85 -1.26 -4.95 119.74 120.18 3kyq s LYS 150 Ca 0.03 0.70 0.06 0.00 -1.00 0.00 0.00 55.97 55.77 3kyq s LYS 150 Cb -0.13 -2.55 -0.01 0.00 -2.06 0.00 0.00 37.83 33.08 3kyq s LYS 150 CO 0.01 0.22 -0.22 0.42 0.10 0.00 0.00 175.35 175.88 3kyq s ILE 151 N -1.86 1.80 -0.17 3.79 1.01 -1.26 -4.55 121.20 119.96 3kyq s ILE 151 Ca 0.51 -0.95 -0.20 0.00 0.00 0.00 0.00 60.65 60.01 3kyq s ILE 151 Cb -0.12 -1.52 -0.03 0.00 0.01 0.00 0.00 42.46 40.81 3kyq s ILE 151 CO 0.18 0.51 0.59 -0.63 0.00 0.00 0.00 174.94 175.59 3kyq s ILE 152 N -0.27 5.07 -0.25 2.92 1.01 -0.05 -4.92 121.20 124.71 3kyq s ILE 152 Ca 0.01 1.14 -0.14 0.00 0.00 0.00 0.00 60.65 61.66 3kyq s ILE 152 Cb -0.11 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 3kyq s ILE 152 CO 0.01 0.17 0.33 -0.76 0.00 0.00 0.00 174.94 174.70 3kyq s LEU 153 N 1.53 4.07 -0.24 2.97 1.43 -1.26 -0.15 118.68 127.03 3kyq s LEU 153 Ca 0.28 0.28 -0.07 0.00 -1.03 0.00 0.00 54.13 53.59 3kyq s LEU 153 Cb -0.16 -2.37 -0.03 0.00 0.03 0.00 0.00 46.19 43.67 3kyq s LEU 153 CO 0.11 -0.11 0.05 -1.00 0.23 0.00 0.00 176.35 175.63 3kyq s HIS 154 N 1.74 3.07 0.24 0.29 3.76 0.17 -4.98 115.29 119.57 3kyq s HIS 154 Ca 0.14 -0.50 0.11 0.00 -0.15 0.00 0.00 55.06 54.66 3kyq s HIS 154 Cb -0.15 -2.21 0.31 0.00 1.11 0.00 0.00 32.58 31.63 3kyq s HIS 154 CO 0.09 -0.38 1.58 -0.91 -0.85 0.00 0.00 174.74 174.27 3kyq h ASN 155 N 8.19 0.00 -5.34 1.40 2.35 -1.85 0.19 115.58 120.52 3kyq h ASN 155 Ca -0.39 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.10 3kyq h ASN 155 Cb 1.17 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 39.39 3kyq h ASN 155 CO 0.58 0.64 -0.62 0.42 -1.65 0.00 0.00 177.43 176.81 3kyq s THR 156 N -3.49 0.13 0.29 2.81 -4.23 -1.22 -4.39 115.64 105.54 3kyq s THR 156 Ca -0.01 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.73 3kyq s THR 156 Cb 0.12 -2.52 0.22 0.00 1.34 0.00 0.00 72.50 71.67 3kyq s THR 156 CO 0.76 -0.02 1.92 -0.03 -0.54 0.00 0.00 174.62 176.71 3kyq h MET 157 N 2.58 0.00 -0.47 3.99 4.05 -1.89 -2.33 114.93 120.86 3kyq h MET 157 Ca -0.36 0.00 0.10 0.00 -0.28 0.00 0.00 59.70 59.16 3kyq h MET 157 Cb 1.25 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.02 3kyq h MET 157 CO 0.55 0.22 0.32 0.93 0.23 0.00 0.00 176.91 179.17 3kyq h GLU 158 N 0.00 0.18 0.00 0.39 5.08 -1.95 -2.23 114.58 116.05 3kyq h GLU 158 Ca -0.00 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3kyq h GLU 158 Cb 0.58 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 3kyq h GLU 158 CO 0.03 0.12 -0.10 1.03 -1.00 0.00 0.00 179.01 179.09 3kyq h SER 159 N 0.19 0.00 0.89 1.42 0.87 -1.82 -2.90 113.55 112.20 3kyq h SER 159 Ca 0.22 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.64 3kyq h SER 159 Cb 0.62 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 3kyq h SER 159 CO -0.04 0.10 -1.19 -0.07 -0.53 0.00 0.00 176.83 175.11 3kyq h LEU 160 N 0.00 0.00-10.52 2.23 3.38 -1.56 -3.48 115.31 105.37 3kyq h LEU 160 Ca -0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 3kyq h LEU 160 Cb 0.31 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.13 3kyq h LEU 160 CO 0.01 0.51 0.18 -0.76 0.09 0.00 0.00 178.44 178.48 3kyq s LEU 161 N -5.89 3.01 1.05 1.67 1.43 -1.10 -4.91 118.68 113.94 3kyq s LEU 161 Ca -0.01 0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 53.44 3kyq s LEU 161 Cb 0.08 -3.23 0.21 0.00 0.03 0.00 0.00 46.19 43.29 3kyq s LEU 161 CO 0.80 -1.37 1.11 -1.61 0.23 0.00 0.00 176.35 175.51 3kyq s GLU 162 N -5.11 0.02 0.18 1.70 0.41 -1.26 -4.96 118.70 109.68 3kyq s GLU 162 Ca 0.58 0.28 -0.09 0.00 -0.41 0.00 0.00 54.97 55.32 3kyq s GLU 162 Cb -0.11 -1.71 0.06 0.00 -1.78 0.00 0.00 34.13 30.59 3kyq s GLU 162 CO 0.44 -2.95 1.62 -0.09 -0.49 0.00 0.00 175.26 173.79 3kyq h ARG 163 N -2.05 1.06 -0.93 1.61 9.65 -1.98 -2.96 114.38 118.78 3kyq h ARG 163 Ca -0.51 -0.36 -0.34 0.00 -1.10 0.00 0.00 59.98 57.67 3kyq h ARG 163 Cb 1.32 -0.08 -0.20 0.00 -1.39 0.00 0.00 29.97 29.62 3kyq h ARG 163 CO 0.51 1.06 0.43 0.41 2.80 0.00 0.00 179.97 185.19 3kyq n GLY 164 N -0.35 3.76 3.23 2.80 0.00 -1.26 -4.91 105.19 108.45 3kyq n GLY 164 Ca 0.02 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 3kyq n GLY 164 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kyq s GLU 165 N -2.62 3.17 -0.04 1.61 2.02 -1.12 -5.12 118.70 116.60 3kyq s GLU 165 Ca 0.46 -0.76 -0.03 0.00 0.02 0.00 0.00 54.97 54.66 3kyq s GLU 165 Cb 0.38 -2.67 -0.04 0.00 0.10 0.00 0.00 34.13 31.90 3kyq s GLU 165 CO 0.10 -0.09 0.16 0.15 0.02 0.00 0.00 175.26 175.59 3kyq s LYS 166 N 1.07 3.38 0.54 1.61 -0.14 -1.26 -4.72 119.74 120.22 3kyq s LYS 166 Ca -0.00 -0.30 0.25 0.00 -1.36 0.00 0.00 55.97 54.56 3kyq s LYS 166 Cb -0.14 -3.08 1.52 0.00 -1.68 0.00 0.00 37.83 34.44 3kyq s LYS 166 CO -0.04 0.70 2.14 1.25 -0.76 0.00 0.00 175.35 178.64 3kyq h LEU 167 N 4.16 0.00 -0.81 3.17 6.46 -1.99 -2.88 115.31 123.42 3kyq h LEU 167 Ca -0.50 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.17 3kyq h LEU 167 Cb 1.20 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.11 3kyq h LEU 167 CO 0.65 0.07 -0.04 0.44 -0.62 0.00 0.00 178.44 178.94 3kyq h ASP 168 N 0.00 0.83 -0.02 1.25 3.32 -1.99 -2.09 116.42 117.72 3kyq h ASP 168 Ca -0.00 -0.23 -0.18 0.00 0.02 0.00 0.00 57.03 56.64 3kyq h ASP 168 Cb 0.17 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 3kyq h ASP 168 CO 0.01 0.92 -0.63 0.44 -1.72 0.00 0.00 179.24 178.26 3kyq h ASP 169 N 0.78 0.72 -0.12 6.45 5.19 -1.93 -0.88 116.42 126.64 3kyq h ASP 169 Ca 0.14 -0.42 -0.14 0.00 -0.62 0.00 0.00 57.03 55.99 3kyq h ASP 169 Cb 0.53 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 3kyq h ASP 169 CO 0.03 1.17 -0.41 -0.07 -3.12 0.00 0.00 179.24 176.84 3kyq h LEU 170 N 0.47 0.70 -0.34 1.55 3.38 -1.58 -1.55 115.31 117.94 3kyq h LEU 170 Ca -0.01 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 3kyq h LEU 170 Cb 1.21 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 3kyq h LEU 170 CO 0.12 1.02 0.05 0.58 0.09 0.00 0.00 178.44 180.31 3kyq h VAL 171 N 0.53 1.24 -0.56 1.22 2.07 -1.33 -1.82 116.25 117.60 3kyq h VAL 171 Ca 0.04 -0.83 0.04 0.00 0.82 0.00 0.00 66.70 66.78 3kyq h VAL 171 Cb 0.94 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 3kyq h VAL 171 CO 0.08 0.28 0.30 0.28 0.02 0.00 0.00 177.57 178.53 3kyq h SER 172 N 0.39 0.45 0.28 0.57 0.02 -1.01 -2.95 113.55 111.30 3kyq h SER 172 Ca 0.10 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3kyq h SER 172 Cb 0.35 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.83 3kyq h SER 172 CO 0.01 0.31 -0.27 0.29 -1.14 0.00 0.00 176.83 176.03 3kyq n LYS 173 N -4.83 0.73 -1.69 3.45 4.76 -0.59 -4.97 118.16 115.00 3kyq n LYS 173 Ca 0.05 -0.41 -0.41 0.00 -2.87 0.00 0.00 58.31 54.67 3kyq n LYS 173 Cb 0.13 -1.49 0.01 0.00 -1.84 0.00 0.00 35.03 31.84 3kyq n LYS 173 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3kyq n SER 174 N -0.78 2.49 -0.01 4.39 2.88 -0.69 -4.93 113.62 116.97 3kyq n SER 174 Ca 0.12 1.12 0.10 0.00 -1.33 0.00 0.00 58.87 58.87 3kyq n SER 174 Cb 0.34 -1.49 -0.14 0.00 -0.75 0.00 0.00 64.21 62.17 3kyq n SER 174 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 3kyq n GLU 175 N 0.12 0.59 0.13 -1.46 0.00 -1.26 -4.27 120.64 114.49 3kyq n GLU 175 Ca 0.07 -0.13 0.06 0.00 0.00 0.00 0.00 57.16 57.16 3kyq n GLU 175 Cb 0.39 -1.46 0.03 0.00 0.00 0.00 0.00 31.44 30.40 3kyq n GLU 175 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 3kyq h VAL 176 N 0.00 0.38 -3.26 3.84 2.07 -1.97 -3.45 116.25 113.87 3kyq h VAL 176 Ca 0.00 -1.60 -0.60 0.00 0.82 0.00 0.00 66.70 65.32 3kyq h VAL 176 Cb 0.78 2.03 -0.12 0.00 -1.52 0.00 0.00 31.29 32.46 3kyq h VAL 176 CO 0.00 0.22 -0.46 -0.76 0.02 0.00 0.00 177.57 176.58 3kyq s LEU 177 N -6.00 4.22 0.90 2.57 1.43 -1.26 -4.89 118.68 115.64 3kyq s LEU 177 Ca 0.02 0.28 -0.13 0.00 -1.03 0.00 0.00 54.13 53.27 3kyq s LEU 177 Cb 0.08 -2.14 0.13 0.00 0.03 0.00 0.00 46.19 44.29 3kyq s LEU 177 CO 0.75 0.17 1.18 -0.83 0.23 0.00 0.00 176.35 177.85 3kyq s GLY 178 N 0.34 1.61 0.36 -3.19 0.00 -1.26 -4.87 107.32 100.30 3kyq s GLY 178 Ca 0.10 -0.68 0.06 0.00 0.00 0.00 0.00 44.72 44.20 3kyq s GLY 178 CO -0.01 -0.10 1.92 -0.91 0.00 0.00 0.00 173.10 174.00 3kyq h THR 179 N -1.42 1.17 -0.30 0.90 1.35 -1.99 -1.92 112.91 110.70 3kyq h THR 179 Ca -0.48 -0.67 -0.03 0.00 -0.55 0.00 0.00 66.41 64.68 3kyq h THR 179 Cb 1.32 0.94 -0.01 0.00 -1.73 0.00 0.00 68.15 68.66 3kyq h THR 179 CO 0.59 0.23 0.05 -0.61 -0.25 0.00 0.00 175.52 175.53 3kyq h GLN 180 N 0.43 0.50 -0.43 4.72 4.15 -1.99 -1.94 115.11 120.55 3kyq h GLN 180 Ca 0.10 -0.13 0.04 0.00 0.77 0.00 0.00 58.65 59.43 3kyq h GLN 180 Cb 0.27 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.86 3kyq h GLN 180 CO 0.01 0.59 0.20 0.77 -1.93 0.00 0.00 178.83 178.47 3kyq h SER 181 N 0.32 0.27 -0.75 -0.69 0.02 -1.83 0.16 113.55 111.05 3kyq h SER 181 Ca 0.09 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 3kyq h SER 181 Cb 0.33 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 3kyq h SER 181 CO 0.01 0.19 0.30 0.11 -1.14 0.00 0.00 176.83 176.30 3kyq h LYS 182 N 0.40 1.11 0.21 3.45 1.57 -1.30 -0.59 116.57 121.43 3kyq h LYS 182 Ca 0.19 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3kyq h LYS 182 Cb 0.13 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3kyq h LYS 182 CO -0.15 0.91 -0.10 0.00 -0.57 0.00 0.00 179.45 179.53 3kyq h ALA 183 N 1.15 -0.29 -1.00 3.86 0.00 -1.10 -1.58 119.26 120.31 3kyq h ALA 183 Ca 0.25 -0.11 0.21 0.00 0.00 0.00 0.00 54.91 55.26 3kyq h ALA 183 Cb 0.21 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.00 3kyq h ALA 183 CO -0.02 -0.60 0.61 0.74 0.00 0.00 0.00 179.25 179.98 3kyq h PHE 184 N -0.41 1.02 -0.22 0.00 0.05 -0.72 0.13 116.94 116.78 3kyq h PHE 184 Ca -0.03 0.03 -0.04 0.00 3.82 0.00 0.00 57.97 61.76 3kyq h PHE 184 Cb 0.31 -0.30 -0.01 0.00 2.00 0.00 0.00 35.95 37.95 3kyq h PHE 184 CO -0.03 0.19 -0.01 -0.92 -0.18 0.00 0.00 178.31 177.36 3kyq h TYR 185 N 0.69 0.44 -0.48 -0.55 5.03 -0.96 -2.28 116.97 118.87 3kyq h TYR 185 Ca 0.59 -0.08 -0.04 0.00 2.58 0.00 0.00 58.73 61.78 3kyq h TYR 185 Cb 1.01 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 39.16 3kyq h TYR 185 CO -0.00 0.59 0.11 -0.22 -1.32 0.00 0.00 178.16 177.31 3kyq h LYS 186 N 0.16 0.72 0.03 1.82 3.64 0.02 -1.14 116.57 121.82 3kyq h LYS 186 Ca 0.06 -0.14 -0.22 0.00 -1.27 0.00 0.00 60.65 59.09 3kyq h LYS 186 Cb 0.41 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 3kyq h LYS 186 CO 0.01 0.66 -1.03 1.79 -2.27 0.00 0.00 179.45 178.61 3kyq h THR 187 N 0.70 1.65 0.00 1.00 1.35 -0.87 -2.80 112.91 113.94 3kyq h THR 187 Ca 0.16 -3.26 -0.06 0.00 -0.55 0.00 0.00 66.41 62.69 3kyq h THR 187 Cb 0.27 2.83 -0.01 0.00 -1.73 0.00 0.00 68.15 69.50 3kyq h THR 187 CO -0.00 0.94 -0.28 0.00 -0.25 0.00 0.00 175.52 175.93 3kyq h ALA 188 N 0.92 1.06 0.02 6.62 0.00 -1.11 -1.86 119.26 124.91 3kyq h ALA 188 Ca -0.04 -0.25 -0.21 0.00 0.00 0.00 0.00 54.91 54.41 3kyq h ALA 188 Cb 1.77 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 3kyq h ALA 188 CO 0.14 0.34 -0.95 0.00 0.00 0.00 0.00 179.25 178.79 3kyq h ARG 189 N 0.00 0.21 -0.14 0.00 2.47 -1.18 -3.21 114.38 112.53 3kyq h ARG 189 Ca -0.00 -0.25 -0.07 0.00 -1.26 0.00 0.00 59.98 58.40 3kyq h ARG 189 Cb 0.75 0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 29.14 3kyq h ARG 189 CO 0.04 1.01 -0.18 0.87 0.56 0.00 0.00 179.97 182.27 3kyq h LYS 190 N 0.10 0.37 -0.59 0.04 1.57 -1.24 -3.35 116.57 113.48 3kyq h LYS 190 Ca -0.06 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.44 3kyq h LYS 190 Cb 1.60 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.91 3kyq h LYS 190 CO 0.15 0.78 0.08 1.96 -0.57 0.00 0.00 179.45 181.84 3kyq h GLN 191 N -0.02 0.98 0.00 3.15 7.50 -1.44 -3.52 115.11 121.77 3kyq h GLN 191 Ca 0.02 -0.27 0.00 0.00 0.50 0.00 0.00 58.65 58.90 3kyq h GLN 191 Cb 0.72 -0.11 0.00 0.00 0.05 0.00 0.00 27.48 28.14 3kyq h GLN 191 CO 0.04 0.94 0.00 0.09 -1.50 0.00 0.00 178.83 178.40