#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kku h SER 2 N 0.00 0.00 0.06 6.12 0.02 -2.00 -2.35 113.55 115.40 2kku h SER 2 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kku h SER 2 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2kku h SER 2 CO 0.00 0.00 -0.01 0.07 -1.14 0.00 0.00 176.83 175.75 2kku h LYS 3 N 0.00 0.00 0.00 3.45 2.10 -2.01 -3.49 116.57 116.61 2kku h LYS 3 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2kku h LYS 3 Cb 0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 2kku h LYS 3 CO 0.00 0.01 0.00 -0.89 -2.00 0.00 0.00 179.45 176.57 2kku n ILE 4 N -3.47 0.00 0.00 0.07 2.08 -0.88 -4.94 119.36 112.21 2kku n ILE 4 Ca -0.03 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.28 2kku n ILE 4 Cb 0.09 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.98 2kku n ILE 4 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 2kku n VAL 5 N -1.34 0.00 -2.68 1.39 0.24 -0.62 -2.93 118.33 112.39 2kku n VAL 5 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2kku n VAL 5 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2kku n VAL 5 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kku n GLY 6 N 0.38 1.73 3.28 7.63 0.00 -0.36 -1.62 105.19 116.24 2kku n GLY 6 Ca 0.00 -0.72 -0.19 0.00 0.00 0.00 0.00 46.02 45.11 2kku n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kku s VAL 7 N -2.50 1.50 -0.03 1.61 0.11 -0.73 -1.20 120.40 119.16 2kku s VAL 7 Ca 0.00 -1.81 0.04 0.00 -2.93 0.00 0.00 61.98 57.29 2kku s VAL 7 Cb 0.00 -1.66 -0.01 0.00 -1.53 0.00 0.00 36.38 33.18 2kku s VAL 7 CO 0.00 -0.40 -0.16 0.28 -3.33 0.00 0.00 175.10 171.49 2kku s THR 8 N -2.16 1.33 -0.00 5.04 -1.32 -0.28 -2.05 115.64 116.20 2kku s THR 8 Ca 0.12 -0.68 0.01 0.00 -1.21 0.00 0.00 61.69 59.93 2kku s THR 8 Cb -0.05 -1.14 -0.00 0.00 -1.51 0.00 0.00 72.50 69.80 2kku s THR 8 CO 0.04 0.38 -0.04 -0.31 -2.21 0.00 0.00 174.62 172.49 2kku s TYR 9 N -0.06 0.33 0.07 9.09 2.02 -0.99 -1.68 117.35 126.13 2kku s TYR 9 Ca -0.01 -0.06 -0.20 0.00 -0.37 0.00 0.00 57.07 56.43 2kku s TYR 9 Cb -0.10 -0.22 -0.10 0.00 -0.40 0.00 0.00 41.96 41.14 2kku s TYR 9 CO 0.01 -0.01 1.52 -1.35 -1.57 0.00 0.00 175.55 174.16 2kku h PRO 10 N 6.06 0.33 -2.51 -1.71 0.11 -1.78 -1.42 132.00 131.08 2kku h PRO 10 Ca -0.27 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2kku h PRO 10 Cb 1.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2kku h PRO 10 CO 0.50 0.51 -0.60 -0.89 -0.21 0.00 0.00 178.00 177.32 2kku n ILE 11 N -4.72 -3.92 -1.65 4.15 5.41 -1.26 -4.41 119.36 112.95 2kku n ILE 11 Ca -0.04 1.63 -0.55 0.00 1.00 0.00 0.00 62.75 64.78 2kku n ILE 11 Cb 0.21 -2.34 -0.07 0.00 -0.71 0.00 0.00 39.64 36.74 2kku n ILE 11 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2kku n PRO 12 N -0.51 1.15 0.23 0.38 -0.02 -1.26 -4.70 135.00 130.26 2kku n PRO 12 Ca 0.00 0.42 0.15 0.00 -2.02 0.00 0.00 63.50 62.05 2kku n PRO 12 Cb 0.00 -2.08 0.81 0.00 -0.02 0.00 0.00 33.50 32.21 2kku n PRO 12 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2kku h LYS 13 N 5.91 0.00 -0.25 -0.52 2.10 -1.98 0.24 116.57 122.07 2kku h LYS 13 Ca -0.47 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.13 2kku h LYS 13 Cb 1.33 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.65 2kku h LYS 13 CO 0.87 0.00 -0.04 0.00 -2.00 0.00 0.00 179.45 178.28 2kku h ARG 14 N 0.00 0.46 -0.13 0.07 3.08 -2.01 -3.32 114.38 112.53 2kku h ARG 14 Ca 0.00 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.88 2kku h ARG 14 Cb 0.06 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2kku h ARG 14 CO 0.00 0.67 0.00 1.19 -1.07 0.00 0.00 179.97 180.76 2kku n PHE 15 N -4.59 0.15 -0.03 3.04 3.72 0.56 -4.39 117.46 115.92 2kku n PHE 15 Ca -0.04 -0.08 -0.17 0.00 -0.05 0.00 0.00 57.45 57.12 2kku n PHE 15 Cb 0.28 -0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.75 2kku n PHE 15 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 2kku h MET 16 N 4.38 0.75 0.00 -1.08 4.05 -0.86 -3.21 114.93 118.96 2kku h MET 16 Ca 0.00 -0.59 -0.02 0.00 -0.28 0.00 0.00 59.70 58.80 2kku h MET 16 Cb 0.94 0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 31.86 2kku h MET 16 CO 0.00 1.21 -0.10 -0.44 0.23 0.00 0.00 176.91 177.80 2kku h ASP 17 N 0.47 0.00 -0.78 1.39 3.32 -1.77 -3.19 116.42 115.87 2kku h ASP 17 Ca -0.04 0.00 0.16 0.00 0.02 0.00 0.00 57.03 57.16 2kku h ASP 17 Cb 1.32 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.77 2kku h ASP 17 CO 0.14 0.10 0.30 0.03 -1.72 0.00 0.00 179.24 178.10 2kku h ARG 18 N 0.00 0.41 0.00 3.56 2.47 -1.82 0.17 114.38 119.16 2kku h ARG 18 Ca -0.00 -0.02 -0.08 0.00 -1.26 0.00 0.00 59.98 58.62 2kku h ARG 18 Cb 0.27 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.49 2kku h ARG 18 CO 0.01 0.27 -0.37 0.74 0.56 0.00 0.00 179.97 181.18 2kku h PHE 19 N 0.42 0.00 0.00 3.04 -1.00 -1.76 -2.48 116.94 115.16 2kku h PHE 19 Ca 0.44 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.22 2kku h PHE 19 Cb 0.70 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.26 2kku h PHE 19 CO -0.17 0.37 -1.42 1.19 -1.61 0.00 0.00 178.31 176.67 2kku n PHE 20 N -3.68 0.31 0.09 -0.55 3.72 -0.73 -3.51 117.46 113.10 2kku n PHE 20 Ca -0.01 0.09 -0.07 0.00 -0.05 0.00 0.00 57.45 57.41 2kku n PHE 20 Cb 0.47 -0.56 -0.04 0.00 -0.94 0.00 0.00 39.48 38.41 2kku n PHE 20 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2kku h LYS 21 N 0.00 -0.31 0.00 -1.08 3.11 -0.25 -3.37 116.57 114.67 2kku h LYS 21 Ca 0.00 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 2kku h LYS 21 Cb 0.89 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.19 2kku h LYS 21 CO 0.00 -0.11 -0.88 0.36 -2.81 0.00 0.00 179.45 176.01 2kku n LYS 22 N -4.99 0.25 0.00 1.90 2.85 -1.04 -4.99 118.16 112.14 2kku n LYS 22 Ca -0.05 0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 2kku n LYS 22 Cb 0.17 -1.60 0.00 0.00 -0.65 0.00 0.00 35.03 32.95 2kku n LYS 22 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2kku n GLY 23 N 1.38 2.01 3.21 2.58 0.00 -1.23 -4.86 105.19 108.28 2kku n GLY 23 Ca 0.03 -0.27 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 2kku n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kku s LYS 24 N 0.00 2.42 0.58 1.61 1.02 -1.26 -4.19 119.74 119.92 2kku s LYS 24 Ca 0.00 -1.51 0.09 0.00 0.02 0.00 0.00 55.97 54.58 2kku s LYS 24 Cb 0.00 -3.61 0.08 0.00 -0.52 0.00 0.00 37.83 33.78 2kku s LYS 24 CO 0.00 -0.91 0.74 0.34 -0.92 0.00 0.00 175.35 174.60 2kku s ASP 25 N 1.85 4.99 -0.17 2.83 -1.08 -0.96 -4.78 116.67 119.35 2kku s ASP 25 Ca 0.03 -0.95 -0.04 0.00 -0.52 0.00 0.00 52.55 51.07 2kku s ASP 25 Cb -0.22 0.39 0.06 0.00 -1.46 0.00 0.00 42.92 41.69 2kku s ASP 25 CO -0.00 -1.35 0.07 -0.69 0.52 0.00 0.00 175.17 173.72 2kku s VAL 26 N -2.71 0.13 -0.42 1.11 1.01 0.09 -0.52 120.40 119.08 2kku s VAL 26 Ca 0.58 -0.25 -0.23 0.00 0.00 0.00 0.00 61.98 62.07 2kku s VAL 26 Cb -0.05 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 35.65 2kku s VAL 26 CO 0.36 -0.22 0.77 0.12 0.00 0.00 0.00 175.10 176.14 2kku s PHE 27 N 2.04 3.04 -0.15 5.22 5.36 0.50 -1.93 117.98 132.06 2kku s PHE 27 Ca 0.01 0.27 -0.20 0.00 -0.96 0.00 0.00 56.93 56.05 2kku s PHE 27 Cb -0.16 -3.55 -0.03 0.00 -0.34 0.00 0.00 43.02 38.94 2kku s PHE 27 CO -0.08 -0.89 0.56 0.14 -1.46 0.00 0.00 175.22 173.48 2kku s VAL 28 N 3.19 5.11 -0.11 3.12 -7.23 -1.26 -1.23 120.40 121.98 2kku s VAL 28 Ca 0.30 1.08 -0.01 0.00 -1.81 0.00 0.00 61.98 61.53 2kku s VAL 28 Cb -0.13 -3.88 -0.03 0.00 0.56 0.00 0.00 36.38 32.90 2kku s VAL 28 CO 0.21 0.22 -0.06 -0.54 -0.31 0.00 0.00 175.10 174.62 2kku s LYS 29 N 1.22 3.19 -1.01 4.82 -0.14 -0.11 -4.98 119.74 122.74 2kku s LYS 29 Ca 0.28 -0.55 -0.08 0.00 -1.36 0.00 0.00 55.97 54.26 2kku s LYS 29 Cb -0.16 -2.73 -0.14 0.00 -1.68 0.00 0.00 37.83 33.12 2kku s LYS 29 CO 0.11 0.45 3.05 -0.35 -0.76 0.00 0.00 175.35 177.85 2kku n PRO 30 N 2.87 2.94 -3.64 -1.68 -0.04 -1.26 -0.51 135.00 133.67 2kku n PRO 30 Ca -0.18 -1.70 -0.27 0.00 -0.04 0.00 0.00 63.50 61.31 2kku n PRO 30 Cb 0.53 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 2kku n PRO 30 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kku n ALA 31 N 3.28 -1.15 -0.16 0.55 0.00 -1.19 -4.85 120.51 116.99 2kku n ALA 31 Ca 0.63 0.12 -0.09 0.00 0.00 0.00 0.00 53.44 54.09 2kku n ALA 31 Cb 0.44 -3.47 0.00 0.00 0.00 0.00 0.00 19.45 16.41 2kku n ALA 31 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2kku h THR 32 N -1.40 1.24 -3.82 0.00 2.02 -1.92 -3.44 112.91 105.59 2kku h THR 32 Ca -0.51 -0.84 -0.48 0.00 0.77 0.00 0.00 66.41 65.35 2kku h THR 32 Cb 1.33 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 68.61 2kku h THR 32 CO 0.62 0.30 0.17 0.68 0.37 0.00 0.00 175.52 177.65 2kku s VAL 33 N -5.29 4.64 0.86 3.16 -7.23 -1.26 -5.10 120.40 110.18 2kku s VAL 33 Ca -0.13 1.00 -0.14 0.00 -1.81 0.00 0.00 61.98 60.89 2kku s VAL 33 Cb 0.11 -3.64 0.21 0.00 0.56 0.00 0.00 36.38 33.62 2kku s VAL 33 CO 0.79 -0.32 0.89 0.79 -0.31 0.00 0.00 175.10 176.94 2kku n TRP 34 N -0.70 -3.79 0.67 2.82 7.02 -1.26 -4.93 117.44 117.26 2kku n TRP 34 Ca 0.04 -0.80 0.06 0.00 -1.02 0.00 0.00 57.50 55.79 2kku n TRP 34 Cb 0.54 -0.83 0.34 0.00 -2.42 0.00 0.00 31.31 28.94 2kku n TRP 34 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2kku n LYS 35 N -3.70 0.26 0.25 -0.99 4.76 -1.26 -2.52 118.16 114.97 2kku n LYS 35 Ca 0.12 0.11 0.12 0.00 -2.87 0.00 0.00 58.31 55.78 2kku n LYS 35 Cb 0.44 -1.50 0.65 0.00 -1.84 0.00 0.00 35.03 32.78 2kku n LYS 35 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2kku h GLU 36 N 0.00 0.00 -5.80 1.97 4.39 -2.01 -3.40 114.58 109.73 2kku h GLU 36 Ca 0.00 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.33 2kku h GLU 36 Cb 0.08 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.69 2kku h GLU 36 CO 0.00 0.16 1.00 -1.17 -1.16 0.00 0.00 179.01 177.84 2kku s LEU 37 N -7.19 3.21 0.11 1.33 1.98 -1.05 -4.96 118.68 112.12 2kku s LEU 37 Ca -0.02 -0.14 0.08 0.00 -2.89 0.00 0.00 54.13 51.17 2kku s LEU 37 Cb 0.12 -2.54 -0.04 0.00 0.66 0.00 0.00 46.19 44.39 2kku s LEU 37 CO 0.60 -2.66 -0.15 -1.59 -1.89 0.00 0.00 176.35 170.66 2kku s LYS 38 N 7.18 1.90 -0.54 1.98 0.00 -1.26 -5.02 119.74 123.97 2kku s LYS 38 Ca 0.71 -1.13 -0.27 0.00 0.00 0.00 0.00 55.97 55.28 2kku s LYS 38 Cb -0.10 -2.18 -0.01 0.00 0.00 0.00 0.00 37.83 35.54 2kku s LYS 38 CO 0.10 0.49 1.74 -1.25 0.00 0.00 0.00 175.35 176.43 2kku s PRO 39 N -2.17 2.93 0.00 1.78 0.04 -1.26 -2.91 135.00 133.40 2kku s PRO 39 Ca 0.19 0.74 0.00 0.00 0.04 0.00 0.00 61.00 61.97 2kku s PRO 39 Cb -0.11 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.14 2kku s PRO 39 CO 0.11 -2.37 0.00 0.41 0.04 0.00 0.00 177.00 175.19 2kku n GLY 40 N 5.54 0.42 1.66 0.56 0.00 -0.03 -4.87 105.19 108.47 2kku n GLY 40 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 2kku n GLY 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2kku n MET 41 N 0.00 -1.49 -4.20 1.61 2.81 -1.15 -4.74 117.12 109.96 2kku n MET 41 Ca 0.00 -0.85 -0.23 0.00 -1.81 0.00 0.00 57.70 54.81 2kku n MET 41 Cb 0.00 -0.71 -0.06 0.00 -0.71 0.00 0.00 33.22 31.74 2kku n MET 41 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2kku s LYS 42 N -4.21 2.60 -0.31 0.03 -2.85 -0.64 -0.59 119.74 113.77 2kku s LYS 42 Ca 0.33 -1.22 -0.02 0.00 -1.00 0.00 0.00 55.97 54.06 2kku s LYS 42 Cb -0.02 -2.37 0.11 0.00 -2.06 0.00 0.00 37.83 33.48 2kku s LYS 42 CO 0.25 0.39 0.14 0.12 0.10 0.00 0.00 175.35 176.34 2kku s PHE 43 N -2.18 0.88 -0.06 1.78 2.19 -0.15 -1.77 117.98 118.67 2kku s PHE 43 Ca 0.32 -1.32 -0.25 0.00 0.33 0.00 0.00 56.93 56.00 2kku s PHE 43 Cb -0.07 -1.20 -0.03 0.00 -1.31 0.00 0.00 43.02 40.40 2kku s PHE 43 CO 0.22 -0.84 0.79 0.08 1.83 0.00 0.00 175.22 177.30 2kku s VAL 44 N 1.73 4.98 -0.27 3.12 1.01 -0.87 -0.49 120.40 129.61 2kku s VAL 44 Ca 0.11 1.63 -0.17 0.00 0.00 0.00 0.00 61.98 63.55 2kku s VAL 44 Cb -0.18 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 2kku s VAL 44 CO -0.26 0.21 0.50 -0.36 0.00 0.00 0.00 175.10 175.18 2kku s PHE 45 N 0.98 3.25 0.12 5.22 0.08 0.01 -2.36 117.98 125.28 2kku s PHE 45 Ca 0.42 0.54 -0.14 0.00 0.12 0.00 0.00 56.93 57.87 2kku s PHE 45 Cb -0.19 -2.73 -0.07 0.00 -0.57 0.00 0.00 43.02 39.47 2kku s PHE 45 CO 0.20 -0.31 0.52 -0.47 -0.10 0.00 0.00 175.22 175.06 2kku s TYR 46 N 2.29 3.62 -0.03 0.36 6.14 -0.53 -1.19 117.35 128.01 2kku s TYR 46 Ca 0.20 1.03 -0.01 0.00 0.64 0.00 0.00 57.07 58.93 2kku s TYR 46 Cb -0.16 -2.34 0.03 0.00 0.42 0.00 0.00 41.96 39.92 2kku s TYR 46 CO 0.10 0.47 0.04 -1.14 0.64 0.00 0.00 175.55 175.65 2kku s GLN 47 N -1.84 0.01 0.31 4.97 0.74 -0.37 -4.36 119.66 119.13 2kku s GLN 47 Ca 0.35 0.24 0.00 0.00 0.05 0.00 0.00 55.36 56.01 2kku s GLN 47 Cb -0.15 -0.40 0.00 0.00 1.10 0.00 0.00 33.01 33.56 2kku s GLN 47 CO 0.19 -0.23 0.00 0.43 -0.55 0.00 0.00 175.29 175.13 2kku n SER 48 N 4.63 -7.70 -0.20 6.67 7.64 -1.26 -1.92 113.62 121.48 2kku n SER 48 Ca -0.18 1.04 -0.08 0.00 1.01 0.00 0.00 58.87 60.66 2kku n SER 48 Cb 0.50 -3.69 0.02 0.00 -1.01 0.00 0.00 64.21 60.04 2kku n SER 48 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 2kku h HIS 49 N 2.21 0.86 0.00 1.43 2.76 -1.96 -3.31 115.15 117.14 2kku h HIS 49 Ca 0.00 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 2kku h HIS 49 Cb 0.00 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 28.70 2kku h HIS 49 CO 0.00 0.69 -0.00 -0.85 -1.30 0.00 0.00 177.93 176.47 2kku n GLU 50 N -4.50 2.59 -3.81 5.26 0.28 -1.26 -4.95 120.64 114.25 2kku n GLU 50 Ca 0.03 -1.46 -0.11 0.00 -0.16 0.00 0.00 57.16 55.46 2kku n GLU 50 Cb 0.16 -0.97 -0.08 0.00 1.43 0.00 0.00 31.44 31.97 2kku n GLU 50 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2kku s ASP 51 N -1.00 -0.03 0.00 -1.84 2.15 -1.25 -4.99 116.67 109.71 2kku s ASP 51 Ca 0.02 -0.27 0.00 0.00 0.43 0.00 0.00 52.55 52.72 2kku s ASP 51 Cb 0.01 0.30 0.00 0.00 -0.30 0.00 0.00 42.92 42.94 2kku s ASP 51 CO 0.00 -0.55 0.00 0.41 -0.17 0.00 0.00 175.17 174.86 2kku n THR 52 N 0.75 0.00 0.00 1.71 -1.04 -1.26 -4.18 114.28 110.25 2kku n THR 52 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 2kku n THR 52 Cb 0.59 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.10 2kku n THR 52 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kku n GLY 53 N 0.00 1.93 2.99 3.41 0.00 -0.81 -3.33 105.19 109.39 2kku n GLY 53 Ca 0.00 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.12 2kku n GLY 53 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kku s PHE 54 N 0.00 1.39 0.02 1.61 0.08 0.40 -1.24 117.98 120.25 2kku s PHE 54 Ca 0.00 -0.55 0.07 0.00 0.12 0.00 0.00 56.93 56.57 2kku s PHE 54 Cb 0.00 -1.06 -0.23 0.00 -0.57 0.00 0.00 43.02 41.15 2kku s PHE 54 CO 0.00 -0.32 0.92 -0.24 -0.10 0.00 0.00 175.22 175.48 2kku h VAL 55 N 6.03 1.22 -0.62 -0.44 3.04 -1.42 -3.29 116.25 120.77 2kku h VAL 55 Ca -0.31 -2.98 0.00 0.00 -1.01 0.00 0.00 66.70 62.40 2kku h VAL 55 Cb 1.17 2.64 0.00 0.00 -2.01 0.00 0.00 31.29 33.10 2kku h VAL 55 CO 0.46 0.74 0.00 0.61 -1.01 0.00 0.00 177.57 178.37 2kku n GLY 56 N 1.51 1.31 3.64 3.17 0.00 -1.10 -1.56 105.19 112.17 2kku n GLY 56 Ca -0.11 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 2kku n GLY 56 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kku s GLU 57 N 0.13 2.04 0.18 1.61 -1.05 0.10 -0.81 118.70 120.90 2kku s GLU 57 Ca 0.00 -1.58 -0.11 0.00 -0.15 0.00 0.00 54.97 53.13 2kku s GLU 57 Cb 0.00 0.53 0.04 0.00 -0.44 0.00 0.00 34.13 34.26 2kku s GLU 57 CO 0.00 -0.90 0.57 0.00 0.95 0.00 0.00 175.26 175.88 2kku n ALA 58 N -0.54 -1.39 -3.25 -0.84 0.00 0.36 -0.05 120.51 114.80 2kku n ALA 58 Ca -0.03 -0.72 -0.29 0.00 0.00 0.00 0.00 53.44 52.40 2kku n ALA 58 Cb 0.61 0.49 -0.17 0.00 0.00 0.00 0.00 19.45 20.38 2kku n ALA 58 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kku s ARG 59 N -2.04 2.55 0.24 0.00 1.81 -0.48 -0.97 118.95 120.05 2kku s ARG 59 Ca 0.12 -0.73 -0.30 0.00 -1.72 0.00 0.00 55.73 53.11 2kku s ARG 59 Cb -0.02 -1.99 -0.09 0.00 -0.45 0.00 0.00 34.95 32.40 2kku s ARG 59 CO 0.05 0.15 1.11 0.42 -0.68 0.00 0.00 175.30 176.36 2kku s ILE 60 N 0.39 3.60 0.00 1.52 1.01 0.24 -1.52 121.20 126.43 2kku s ILE 60 Ca -0.16 1.50 0.00 0.00 0.00 0.00 0.00 60.65 61.99 2kku s ILE 60 Cb -0.17 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.35 2kku s ILE 60 CO 0.07 0.31 0.00 0.29 0.00 0.00 0.00 174.94 175.61 2kku n LYS 61 N 1.71 0.75 -0.79 2.79 4.76 0.65 -0.85 118.16 127.19 2kku n LYS 61 Ca 0.01 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.10 2kku n LYS 61 Cb 0.45 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.58 2kku n LYS 61 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2kku n ARG 62 N 0.00 0.00 -3.07 1.97 1.85 -1.26 -2.62 116.66 113.52 2kku n ARG 62 Ca 0.00 0.00 -0.44 0.00 -1.00 0.00 0.00 57.85 56.41 2kku n ARG 62 Cb 0.00 -0.85 -0.05 0.00 -1.05 0.00 0.00 32.46 30.51 2kku n ARG 62 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2kku s VAL 63 N 2.87 4.74 -0.46 8.89 -7.23 -1.25 -2.20 120.40 125.76 2kku s VAL 63 Ca 0.65 -0.54 -0.21 0.00 -1.81 0.00 0.00 61.98 60.06 2kku s VAL 63 Cb -0.85 -4.43 0.03 0.00 0.56 0.00 0.00 36.38 31.70 2kku s VAL 63 CO 0.40 -1.01 0.71 -0.69 -0.31 0.00 0.00 175.10 174.19 2kku s VAL 64 N 2.96 4.74 -0.27 1.32 1.01 -0.40 -4.80 120.40 124.97 2kku s VAL 64 Ca 0.16 0.13 -0.25 0.00 0.00 0.00 0.00 61.98 62.03 2kku s VAL 64 Cb -0.20 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.90 2kku s VAL 64 CO 0.11 -0.71 0.85 -0.76 0.00 0.00 0.00 175.10 174.59 2kku s LEU 65 N 3.03 4.07 -0.14 3.92 1.43 -1.26 -0.92 118.68 128.81 2kku s LEU 65 Ca 0.24 0.91 -0.08 0.00 -1.03 0.00 0.00 54.13 54.18 2kku s LEU 65 Cb -0.14 -3.20 0.05 0.00 0.03 0.00 0.00 46.19 42.93 2kku s LEU 65 CO 0.19 -0.60 0.34 -0.55 0.23 0.00 0.00 176.35 175.96 2kku s SER 66 N 1.47 -0.40 0.35 2.29 0.15 -0.35 -5.01 113.70 112.20 2kku s SER 66 Ca 0.35 0.73 0.26 0.00 0.70 0.00 0.00 55.95 57.99 2kku s SER 66 Cb -0.14 0.61 1.18 0.00 -1.71 0.00 0.00 66.02 65.95 2kku s SER 66 CO 0.10 -0.18 1.79 -0.33 1.20 0.00 0.00 173.24 175.82 2kku h GLU 67 N 7.11 0.00 -4.90 5.44 5.08 -1.78 -1.32 114.58 124.20 2kku h GLU 67 Ca -0.38 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.33 2kku h GLU 67 Cb 1.17 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.22 2kku h GLU 67 CO 0.33 0.00 -0.57 -0.80 -1.00 0.00 0.00 179.01 176.97 2kku s ASN 68 N -4.50 5.54 0.20 1.42 0.01 -1.26 -4.49 114.94 111.85 2kku s ASN 68 Ca 0.02 -0.18 0.20 0.00 -0.71 0.00 0.00 52.86 52.18 2kku s ASN 68 Cb 0.09 -2.01 0.87 0.00 0.41 0.00 0.00 41.25 40.60 2kku s ASN 68 CO 0.38 -0.07 1.60 -0.81 -1.51 0.00 0.00 177.10 176.69 2kku n PRO 69 N 4.99 0.13 0.07 -0.60 -0.04 -1.26 -2.99 135.00 135.29 2kku n PRO 69 Ca -0.15 0.43 -0.03 0.00 -0.04 0.00 0.00 63.50 63.71 2kku n PRO 69 Cb 0.51 -1.78 -0.07 0.00 -0.04 0.00 0.00 33.50 32.12 2kku n PRO 69 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 2kku h MET 70 N 0.00 0.00 0.00 0.54 2.86 -1.96 -3.23 114.93 113.14 2kku h MET 70 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2kku h MET 70 Cb 0.25 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 2kku h MET 70 CO 0.00 0.69 -0.07 1.96 1.06 0.00 0.00 176.91 180.55 2kku h GLN 71 N 0.00 0.00 0.00 1.72 4.20 -1.95 -0.99 115.11 118.09 2kku h GLN 71 Ca -0.06 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.58 2kku h GLN 71 Cb 1.66 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.43 2kku h GLN 71 CO 0.09 0.07 -0.34 0.74 -0.67 0.00 0.00 178.83 178.72 2kku h PHE 72 N 0.00 0.00 0.00 2.96 0.04 -1.73 -2.60 116.94 115.61 2kku h PHE 72 Ca -0.00 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.57 2kku h PHE 72 Cb 0.33 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.44 2kku h PHE 72 CO 0.00 0.34 -1.34 0.74 -0.60 0.00 0.00 178.31 177.45 2kku h PHE 73 N 0.00 0.00 0.00 -0.55 0.04 -1.33 0.18 116.94 115.27 2kku h PHE 73 Ca -0.00 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.61 2kku h PHE 73 Cb 0.86 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.99 2kku h PHE 73 CO 0.00 0.74 -0.77 1.05 -0.60 0.00 0.00 178.31 178.74 2kku h GLU 74 N 0.00 0.00 0.05 1.51 4.11 -1.48 -3.01 114.58 115.77 2kku h GLU 74 Ca -0.16 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.06 2kku h GLU 74 Cb 1.71 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.94 2kku h GLU 74 CO 0.07 0.77 -1.12 1.15 0.07 0.00 0.00 179.01 179.95 2kku h THR 75 N 0.00 1.12 0.00 -1.06 2.02 -1.53 -3.46 112.91 110.00 2kku h THR 75 Ca -0.01 -2.31 0.00 0.00 0.77 0.00 0.00 66.41 64.86 2kku h THR 75 Cb 1.44 2.67 0.00 0.00 -1.74 0.00 0.00 68.15 70.51 2kku h THR 75 CO 0.10 0.56 -0.14 0.49 0.37 0.00 0.00 175.52 176.89 2kku n PHE 76 N -4.21 0.00 0.00 3.16 3.72 -0.05 -5.05 117.46 115.03 2kku n PHE 76 Ca -0.25 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.15 2kku n PHE 76 Cb 0.75 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 39.22 2kku n PHE 76 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2kku n GLY 77 N 3.09 1.45 0.24 1.37 0.00 -0.61 -3.20 105.19 107.53 2kku n GLY 77 Ca -0.02 0.23 0.16 0.00 0.00 0.00 0.00 46.02 46.39 2kku n GLY 77 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2kku h ASP 78 N 0.00 0.00 -0.15 1.61 3.58 -1.90 -2.39 116.42 117.18 2kku h ASP 78 Ca 0.00 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.29 2kku h ASP 78 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 2kku h ASP 78 CO 0.00 0.00 -0.49 0.03 -2.88 0.00 0.00 179.24 175.90 2kku h ARG 79 N 0.00 0.72 -7.09 0.28 2.47 -1.85 -3.46 114.38 105.44 2kku h ARG 79 Ca 0.00 -0.42 -0.54 0.00 -1.26 0.00 0.00 59.98 57.76 2kku h ARG 79 Cb 0.59 0.04 0.13 0.00 -1.65 0.00 0.00 29.97 29.07 2kku h ARG 79 CO 0.00 1.04 0.50 0.08 0.56 0.00 0.00 179.97 182.15 2kku s VAL 80 N -4.15 2.43 -0.13 2.04 1.01 -0.90 -0.74 120.40 119.97 2kku s VAL 80 Ca -0.09 0.28 0.27 0.00 0.00 0.00 0.00 61.98 62.44 2kku s VAL 80 Cb 0.11 -3.11 0.28 0.00 0.00 0.00 0.00 36.38 33.65 2kku s VAL 80 CO 0.86 -0.05 1.81 2.19 0.00 0.00 0.00 175.10 179.91 2kku h PHE 81 N 0.87 0.00 -4.06 5.22 -5.15 -1.68 -3.43 116.94 108.71 2kku h PHE 81 Ca -0.51 0.00 -0.12 0.00 -0.20 0.00 0.00 57.97 57.15 2kku h PHE 81 Cb 1.31 0.00 -0.16 0.00 0.22 0.00 0.00 35.95 37.32 2kku h PHE 81 CO 0.45 0.00 -0.59 -0.48 -2.00 0.00 0.00 178.31 175.69 2kku s LEU 82 N -4.91 2.13 0.00 2.10 2.34 -1.26 -4.84 118.68 114.24 2kku s LEU 82 Ca -0.00 -0.82 0.07 0.00 0.06 0.00 0.00 54.13 53.44 2kku s LEU 82 Cb 0.08 0.44 0.07 0.00 -0.56 0.00 0.00 46.19 46.23 2kku s LEU 82 CO 0.32 -0.60 0.61 1.07 -1.06 0.00 0.00 176.35 176.70 2kku n THR 83 N 0.27 0.00 -0.10 5.48 5.66 -1.26 -4.88 114.28 119.45 2kku n THR 83 Ca -0.16 -1.51 0.00 0.00 -3.05 0.00 0.00 64.05 59.34 2kku n THR 83 Cb 0.61 -0.60 0.29 0.00 -1.55 0.00 0.00 70.33 69.07 2kku n THR 83 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 2kku h LYS 84 N 0.00 0.74 -0.42 1.09 3.64 -1.96 -0.07 116.57 119.59 2kku h LYS 84 Ca -0.21 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.06 2kku h LYS 84 Cb 0.97 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 2kku h LYS 84 CO 0.31 0.58 0.19 -0.44 -2.27 0.00 0.00 179.45 177.81 2kku h ASP 85 N 0.74 0.56 0.83 4.20 5.19 -2.00 -0.91 116.42 125.03 2kku h ASP 85 Ca 0.19 -0.14 -0.08 0.00 -0.62 0.00 0.00 57.03 56.37 2kku h ASP 85 Cb 0.08 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 2kku h ASP 85 CO -0.02 0.55 -0.39 -0.33 -3.12 0.00 0.00 179.24 175.93 2kku h GLU 86 N 0.54 0.00 0.04 3.56 5.08 -1.82 -2.76 114.58 119.22 2kku h GLU 86 Ca 0.14 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2kku h GLU 86 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2kku h GLU 86 CO -0.02 0.39 -0.02 1.25 -1.00 0.00 0.00 179.01 179.61 2kku h LEU 87 N 0.00 -0.05 -0.84 1.33 5.85 -0.74 -2.60 115.31 118.26 2kku h LEU 87 Ca -0.00 -0.51 -0.09 0.00 0.84 0.00 0.00 57.88 58.11 2kku h LEU 87 Cb 0.90 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 2kku h LEU 87 CO 0.05 0.51 -0.14 0.07 -0.34 0.00 0.00 178.44 178.59 2kku h LYS 88 N -0.62 0.71 -0.08 1.25 5.09 -1.14 0.21 116.57 121.99 2kku h LYS 88 Ca -0.01 -0.24 -0.14 0.00 0.09 0.00 0.00 60.65 60.35 2kku h LYS 88 Cb 0.56 -0.06 -0.01 0.00 0.10 0.00 0.00 32.23 32.82 2kku h LYS 88 CO 0.01 0.82 -0.59 1.05 -2.09 0.00 0.00 179.45 178.66 2kku h GLU 89 N 0.64 0.25 -0.25 0.07 4.11 -1.62 -2.13 114.58 115.66 2kku h GLU 89 Ca 0.11 -0.17 -0.03 0.00 0.07 0.00 0.00 59.36 59.34 2kku h GLU 89 Cb 0.60 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2kku h GLU 89 CO 0.04 0.76 0.05 -0.92 0.07 0.00 0.00 179.01 179.01 2kku h TYR 90 N 0.19 0.43 -0.31 2.06 3.20 -0.97 -1.31 116.97 120.25 2kku h TYR 90 Ca -0.00 -0.06 -0.17 0.00 3.14 0.00 0.00 58.73 61.64 2kku h TYR 90 Cb 1.08 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.23 2kku h TYR 90 CO 0.02 0.51 -0.46 0.52 -1.64 0.00 0.00 178.16 177.11 2kku h MET 91 N 0.22 0.83 -0.13 1.82 2.86 -0.94 -1.44 114.93 118.14 2kku h MET 91 Ca 0.08 -0.48 -0.08 0.00 -2.06 0.00 0.00 59.70 57.16 2kku h MET 91 Cb 0.31 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 2kku h MET 91 CO 0.00 1.11 -0.30 0.87 1.06 0.00 0.00 176.91 179.66 2kku h LYS 92 N 0.66 0.25 -0.50 1.72 1.79 -1.43 -2.62 116.57 116.44 2kku h LYS 92 Ca 0.04 -0.09 -0.07 0.00 -2.18 0.00 0.00 60.65 58.34 2kku h LYS 92 Cb 1.05 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.66 2kku h LYS 92 CO 0.10 0.53 0.01 1.03 -1.08 0.00 0.00 179.45 180.04 2kku h SER 93 N 0.22 0.80 0.58 0.86 0.87 -0.83 -2.34 113.55 113.71 2kku h SER 93 Ca 0.03 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 2kku h SER 93 Cb 0.64 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 2kku h SER 93 CO 0.05 0.86 0.00 0.00 -0.53 0.00 0.00 176.83 177.21 2kku n GLN 94 N -4.21 0.20 -0.00 2.24 1.13 -0.58 -1.09 117.38 115.07 2kku n GLN 94 Ca 0.03 0.08 0.04 0.00 -1.94 0.00 0.00 57.00 55.21 2kku n GLN 94 Cb 0.30 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 29.09 2kku n GLN 94 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 2kku n GLU 95 N -1.37 0.90 -0.02 -1.09 0.28 -1.14 -0.59 120.64 117.61 2kku n GLU 95 Ca 0.09 -0.06 0.09 0.00 -0.16 0.00 0.00 57.16 57.12 2kku n GLU 95 Cb 0.22 -1.14 -0.17 0.00 1.43 0.00 0.00 31.44 31.78 2kku n GLU 95 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 2kku n ARG 96 N -1.69 0.66 0.01 3.44 1.85 -0.89 -4.73 116.66 115.31 2kku n ARG 96 Ca -0.01 -0.18 -0.03 0.00 -1.00 0.00 0.00 57.85 56.63 2kku n ARG 96 Cb 0.20 -1.51 -0.01 0.00 -1.05 0.00 0.00 32.46 30.09 2kku n ARG 96 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 2kku n TRP 97 N -2.29 0.00 -0.00 2.89 7.02 -0.25 -5.08 117.44 119.73 2kku n TRP 97 Ca -0.06 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.42 2kku n TRP 97 Cb 0.61 -0.10 0.00 0.00 -2.42 0.00 0.00 31.31 29.40 2kku n TRP 97 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2kku n GLY 98 N 3.00 0.94 3.03 6.99 0.00 -1.11 -5.03 105.19 113.00 2kku n GLY 98 Ca -0.05 -1.37 -0.03 0.00 0.00 0.00 0.00 46.02 44.58 2kku n GLY 98 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kku s ARG 99 N 0.29 0.48 0.00 1.61 3.52 0.24 -4.59 118.95 120.49 2kku s ARG 99 Ca 0.00 0.46 0.00 0.00 -0.13 0.00 0.00 55.73 56.06 2kku s ARG 99 Cb 0.00 -0.02 0.00 0.00 -1.56 0.00 0.00 34.95 33.37 2kku s ARG 99 CO 0.00 -0.92 0.00 0.54 -0.81 0.00 0.00 175.30 174.11 2kku n ARG 100 N 5.39 0.00 -2.75 5.12 1.74 -1.04 -4.96 116.66 120.16 2kku n ARG 100 Ca 0.01 0.30 -0.01 0.00 -0.77 0.00 0.00 57.85 57.38 2kku n ARG 100 Cb 0.51 -0.78 0.00 0.00 -1.02 0.00 0.00 32.46 31.17 2kku n ARG 100 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2kku n ARG 101 N -1.68 -3.29 -3.64 5.56 0.00 -1.26 -5.10 116.66 107.24 2kku n ARG 101 Ca 0.00 2.67 -0.05 0.00 -0.00 0.00 0.00 57.85 60.46 2kku n ARG 101 Cb 0.00 -5.35 -0.07 0.00 0.00 0.00 0.00 32.46 27.04 2kku n ARG 101 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2kku s GLU 102 N -1.77 0.22 0.00 -0.14 2.56 -1.26 -5.06 118.70 113.24 2kku s GLU 102 Ca 0.04 0.25 0.00 0.00 0.00 0.00 0.00 54.97 55.26 2kku s GLU 102 Cb -0.01 0.11 0.00 0.00 2.00 0.00 0.00 34.13 36.23 2kku s GLU 102 CO 0.77 -0.03 0.00 -1.13 -0.56 0.00 0.00 175.26 174.31 2kku n SER 103 N 1.77 0.00 -0.09 -1.70 3.41 -1.26 -5.00 113.62 110.76 2kku n SER 103 Ca -0.11 -0.54 -0.11 0.00 -0.26 0.00 0.00 58.87 57.86 2kku n SER 103 Cb 0.57 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.47 2kku n SER 103 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2kku n LYS 104 N 0.00 0.50 -3.77 4.33 5.02 -1.26 -4.99 118.16 117.99 2kku n LYS 104 Ca 0.00 0.43 -0.21 0.00 -2.02 0.00 0.00 58.31 56.51 2kku n LYS 104 Cb 0.13 -1.61 -0.17 0.00 -0.02 0.00 0.00 35.03 33.36 2kku n LYS 104 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2kku s LYS 105 N -2.46 0.35 0.83 1.97 2.20 -1.26 -5.15 119.74 116.21 2kku s LYS 105 Ca -0.23 0.18 -0.12 0.00 -0.36 0.00 0.00 55.97 55.45 2kku s LYS 105 Cb 0.04 -0.75 0.09 0.00 -1.51 0.00 0.00 37.83 35.71 2kku s LYS 105 CO 0.35 -0.28 1.16 -1.59 -0.36 0.00 0.00 175.35 174.63 2kku s LYS 106 N 1.86 1.61 0.25 4.03 0.00 -1.26 -5.03 119.74 121.21 2kku s LYS 106 Ca 0.02 1.57 -0.19 0.00 0.00 0.00 0.00 55.97 57.37 2kku s LYS 106 Cb -0.12 -1.79 -0.09 0.00 0.00 0.00 0.00 37.83 35.83 2kku s LYS 106 CO -0.04 -2.19 0.74 0.21 0.00 0.00 0.00 175.35 174.07 2kku s LYS 107 N -4.42 4.21 -0.49 1.78 2.36 -1.26 -5.03 119.74 116.88 2kku s LYS 107 Ca 0.69 0.85 -0.28 0.00 -2.55 0.00 0.00 55.97 54.67 2kku s LYS 107 Cb -0.24 -2.76 0.01 0.00 -1.05 0.00 0.00 37.83 33.80 2kku s LYS 107 CO 0.53 0.32 1.38 -1.17 1.55 0.00 0.00 175.35 177.96 2kku s LEU 108 N -2.24 3.50 0.44 5.43 1.98 -1.26 -4.38 118.68 122.15 2kku s LEU 108 Ca 0.46 0.51 -0.01 0.00 -2.89 0.00 0.00 54.13 52.20 2kku s LEU 108 Cb -0.15 -3.31 -0.02 0.00 0.66 0.00 0.00 46.19 43.38 2kku s LEU 108 CO 0.20 -1.55 0.68 0.26 -1.89 0.00 0.00 176.35 174.05 2kku s TRP 109 N 5.61 3.37 -0.04 5.38 0.52 -0.50 -3.16 118.94 130.12 2kku s TRP 109 Ca 0.55 0.42 -0.01 0.00 0.02 0.00 0.00 56.10 57.08 2kku s TRP 109 Cb -0.11 -2.23 0.03 0.00 -1.15 0.00 0.00 33.47 30.01 2kku s TRP 109 CO 0.29 -0.25 0.08 0.00 0.02 0.00 0.00 176.95 177.09 2kku s MET 110 N -4.56 0.02 -0.50 4.98 0.23 0.33 -1.21 119.30 118.60 2kku s MET 110 Ca 0.46 0.24 -0.13 0.00 -1.03 0.00 0.00 55.69 55.23 2kku s MET 110 Cb -0.10 -0.19 0.11 0.00 -1.53 0.00 0.00 34.83 33.12 2kku s MET 110 CO 0.39 -0.15 0.41 0.00 -2.03 0.00 0.00 175.02 173.65 2kku s ALA 111 N 0.98 3.53 -0.35 3.16 0.00 -0.10 -0.93 121.76 128.05 2kku s ALA 111 Ca -0.08 -2.41 -0.29 0.00 0.00 0.00 0.00 51.96 49.18 2kku s ALA 111 Cb -0.11 -3.05 0.02 0.00 0.00 0.00 0.00 23.12 19.98 2kku s ALA 111 CO -0.04 -1.89 1.08 0.42 0.00 0.00 0.00 175.76 175.33 2kku s ILE 112 N 1.53 4.46 0.25 0.00 1.01 -0.37 -1.27 121.20 126.81 2kku s ILE 112 Ca 0.04 1.61 -0.30 0.00 0.00 0.00 0.00 60.65 62.00 2kku s ILE 112 Cb -0.27 -4.45 -0.09 0.00 0.01 0.00 0.00 42.46 37.66 2kku s ILE 112 CO 0.03 -0.58 1.00 -0.70 0.00 0.00 0.00 174.94 174.68 2kku s GLU 113 N 3.80 4.78 -0.09 2.79 2.12 -0.93 -0.37 118.70 130.79 2kku s GLU 113 Ca 0.45 1.60 0.04 0.00 0.36 0.00 0.00 54.97 57.43 2kku s GLU 113 Cb -0.11 -3.25 -0.00 0.00 0.26 0.00 0.00 34.13 31.02 2kku s GLU 113 CO 0.19 0.40 -0.24 -0.51 -0.54 0.00 0.00 175.26 174.56 2kku s LEU 114 N -1.24 2.12 0.22 2.70 2.01 0.32 -0.25 118.68 124.56 2kku s LEU 114 Ca 0.42 -0.53 0.01 0.00 0.01 0.00 0.00 54.13 54.04 2kku s LEU 114 Cb -0.28 -1.41 -0.05 0.00 0.01 0.00 0.00 46.19 44.46 2kku s LEU 114 CO 0.35 0.18 0.09 -1.83 1.01 0.00 0.00 176.35 176.15 2kku s GLU 115 N 0.21 1.28 -1.43 1.70 -1.05 -0.58 -2.27 118.70 116.56 2kku s GLU 115 Ca -0.15 -1.67 -0.09 0.00 -0.15 0.00 0.00 54.97 52.91 2kku s GLU 115 Cb -0.17 -0.08 0.06 0.00 -0.44 0.00 0.00 34.13 33.50 2kku s GLU 115 CO 0.08 -0.29 0.67 -3.47 0.95 0.00 0.00 175.26 173.19 2kku n ASP 116 N -0.35 -4.71 -4.57 0.83 2.03 -1.26 -1.38 116.55 107.13 2kku n ASP 116 Ca -0.01 -0.47 -0.39 0.00 0.52 0.00 0.00 54.79 54.44 2kku n ASP 116 Cb 0.66 -3.82 -0.03 0.00 -0.72 0.00 0.00 41.12 37.20 2kku n ASP 116 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2kku s VAL 117 N -3.10 3.12 -0.47 5.18 1.01 -1.26 -4.47 120.40 120.41 2kku s VAL 117 Ca 0.45 0.10 -0.22 0.00 0.00 0.00 0.00 61.98 62.31 2kku s VAL 117 Cb -0.22 -3.24 0.03 0.00 0.00 0.00 0.00 36.38 32.95 2kku s VAL 117 CO 0.56 -0.21 0.74 -0.75 0.00 0.00 0.00 175.10 175.43 2kku s LYS 118 N 7.28 3.30 0.08 2.72 2.47 0.93 -4.94 119.74 131.57 2kku s LYS 118 Ca 0.91 -0.36 -0.31 0.00 -1.56 0.00 0.00 55.97 54.66 2kku s LYS 118 Cb -0.21 -3.99 -0.06 0.00 -1.46 0.00 0.00 37.83 32.11 2kku s LYS 118 CO 0.28 -1.16 1.22 0.15 0.16 0.00 0.00 175.35 176.00 2kku s LYS 119 N 3.14 4.43 -0.21 4.03 -0.14 -1.26 -0.72 119.74 129.00 2kku s LYS 119 Ca 0.25 1.81 -0.29 0.00 -1.36 0.00 0.00 55.97 56.38 2kku s LYS 119 Cb -0.14 -3.33 0.00 0.00 -1.68 0.00 0.00 37.83 32.69 2kku s LYS 119 CO 0.19 -0.26 1.09 0.71 -0.76 0.00 0.00 175.35 176.32 2kku s TYR 120 N 0.96 3.24 0.36 3.18 2.02 -0.60 -4.93 117.35 121.59 2kku s TYR 120 Ca 0.59 1.38 0.04 0.00 -0.37 0.00 0.00 57.07 58.70 2kku s TYR 120 Cb -0.31 -3.32 0.69 0.00 -0.40 0.00 0.00 41.96 38.63 2kku s TYR 120 CO 0.30 -0.73 1.99 0.22 -1.57 0.00 0.00 175.55 175.76 2kku h ASP 121 N 7.59 0.61 -3.85 2.29 1.82 -1.95 -3.44 116.42 119.48 2kku h ASP 121 Ca -0.21 -0.04 -0.68 0.00 -0.39 0.00 0.00 57.03 55.71 2kku h ASP 121 Cb 1.07 -0.15 -0.20 0.00 0.68 0.00 0.00 39.33 40.72 2kku h ASP 121 CO 0.97 0.49 -0.81 -1.59 -1.61 0.00 0.00 179.24 176.69 2kku s LYS 122 N -5.49 1.91 -0.63 0.28 -2.85 -1.26 -5.07 119.74 106.62 2kku s LYS 122 Ca -0.09 -1.09 -0.26 0.00 -1.00 0.00 0.00 55.97 53.53 2kku s LYS 122 Cb 0.17 -2.14 -0.06 0.00 -2.06 0.00 0.00 37.83 33.74 2kku s LYS 122 CO 0.76 0.51 2.16 -2.14 0.10 0.00 0.00 175.35 176.73 2kku s PRO 123 N -1.80 2.26 -0.34 1.78 0.02 -1.26 -4.95 135.00 130.72 2kku s PRO 123 Ca 0.16 0.76 -0.26 0.00 0.02 0.00 0.00 61.00 61.68 2kku s PRO 123 Cb -0.10 -4.61 0.01 0.00 0.02 0.00 0.00 34.50 29.81 2kku s PRO 123 CO 0.08 -3.29 0.95 0.42 -0.33 0.00 0.00 177.00 174.83 2kku s ILE 124 N 11.25 4.60 0.47 2.83 1.01 -1.23 -4.90 121.20 135.22 2kku s ILE 124 Ca 0.83 1.36 -0.22 0.00 0.00 0.00 0.00 60.65 62.62 2kku s ILE 124 Cb -0.13 -4.32 -0.08 0.00 0.01 0.00 0.00 42.46 37.93 2kku s ILE 124 CO 0.18 -0.47 1.11 -1.59 0.00 0.00 0.00 174.94 174.17 2kku s LYS 125 N 3.44 3.78 0.39 2.79 0.00 -1.21 -0.45 119.74 128.47 2kku s LYS 125 Ca 0.39 1.61 -0.10 0.00 0.00 0.00 0.00 55.97 57.88 2kku s LYS 125 Cb -0.12 -2.30 -0.06 0.00 0.00 0.00 0.00 37.83 35.34 2kku s LYS 125 CO 0.16 -0.50 0.74 -1.25 0.00 0.00 0.00 175.35 174.51 2kku s PRO 126 N -2.86 3.75 0.43 1.78 0.04 -1.26 -4.86 135.00 132.02 2kku s PRO 126 Ca 0.65 0.39 0.23 0.00 0.04 0.00 0.00 61.00 62.31 2kku s PRO 126 Cb -0.24 -2.43 0.74 0.00 0.04 0.00 0.00 34.50 32.61 2kku s PRO 126 CO 0.29 0.00 1.75 -0.22 0.04 0.00 0.00 177.00 178.86 2kku h LYS 127 N 1.31 0.00 -3.60 4.56 1.63 -2.01 -3.46 116.57 115.00 2kku h LYS 127 Ca -0.47 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.26 2kku h LYS 127 Cb 1.19 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 32.68 2kku h LYS 127 CO 0.64 0.22 -0.22 -0.98 -3.45 0.00 0.00 179.45 175.66 2kku s ARG 128 N -3.47 0.98 -0.16 1.90 1.70 -1.26 -5.14 118.95 113.50 2kku s ARG 128 Ca 0.02 -0.85 -0.29 0.00 -0.47 0.00 0.00 55.73 54.14 2kku s ARG 128 Cb 0.09 0.41 -0.01 0.00 -0.57 0.00 0.00 34.95 34.86 2kku s ARG 128 CO 0.65 -0.35 1.23 -0.48 -1.08 0.00 0.00 175.30 175.27 2kku s LEU 129 N -2.84 4.18 -0.44 -1.89 2.34 -1.26 -5.01 118.68 113.77 2kku s LEU 129 Ca 0.05 1.67 -0.19 0.00 0.06 0.00 0.00 54.13 55.72 2kku s LEU 129 Cb 0.03 -3.54 0.03 0.00 -0.56 0.00 0.00 46.19 42.15 2kku s LEU 129 CO -0.11 -0.73 0.54 -0.69 -1.06 0.00 0.00 176.35 174.30 2kku s VAL 130 N 3.32 4.96 1.06 1.48 1.01 -1.26 -5.01 120.40 125.95 2kku s VAL 130 Ca 0.54 -0.18 -0.18 0.00 0.00 0.00 0.00 61.98 62.15 2kku s VAL 130 Cb -0.21 -4.14 0.25 0.00 0.00 0.00 0.00 36.38 32.28 2kku s VAL 130 CO 0.15 -0.54 1.30 -2.16 0.00 0.00 0.00 175.10 173.84 2kku s PRO 131 N 2.46 -0.12 0.45 2.72 0.04 -1.26 -4.69 135.00 134.59 2kku s PRO 131 Ca 0.17 -0.45 0.11 0.00 0.04 0.00 0.00 61.00 60.87 2kku s PRO 131 Cb -0.16 -1.76 1.01 0.00 0.04 0.00 0.00 34.50 33.63 2kku s PRO 131 CO 0.16 -2.92 2.07 0.28 0.04 0.00 0.00 177.00 176.62 2kku h VAL 132 N -2.01 1.03 0.00 -0.36 2.07 -1.99 -0.48 116.25 114.51 2kku h VAL 132 Ca -0.44 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2kku h VAL 132 Cb 1.23 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2kku h VAL 132 CO 0.31 0.07 0.00 1.23 0.02 0.00 0.00 177.57 179.20 2kku h GLY 133 N 0.37 0.00 -0.36 2.17 0.00 -1.97 -3.45 103.07 99.83 2kku h GLY 133 Ca 0.14 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.51 2kku h GLY 133 CO -0.03 0.00 -0.13 0.61 0.00 0.00 0.00 176.54 176.99 2kku n GLY 134 N -0.04 -2.66 3.36 4.60 0.00 -0.19 -5.01 105.19 105.25 2kku n GLY 134 Ca 0.01 -1.41 -0.32 0.00 0.00 0.00 0.00 46.02 44.31 2kku n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kku s GLN 135 N -3.07 2.32 -0.55 1.61 -1.52 -0.68 -4.81 119.66 112.96 2kku s GLN 135 Ca 0.00 -0.85 -0.28 0.00 -1.95 0.00 0.00 55.36 52.28 2kku s GLN 135 Cb 0.00 -2.17 0.03 0.00 -0.22 0.00 0.00 33.01 30.64 2kku s GLN 135 CO 0.00 0.54 1.22 0.71 -0.25 0.00 0.00 175.29 177.51 2kku s TYR 136 N -0.56 2.60 -0.37 0.91 2.02 -1.26 -1.13 117.35 119.57 2kku s TYR 136 Ca 0.08 0.49 -0.29 0.00 -0.37 0.00 0.00 57.07 56.98 2kku s TYR 136 Cb -0.11 -4.49 0.02 0.00 -0.40 0.00 0.00 41.96 36.99 2kku s TYR 136 CO 0.00 -1.59 1.12 -1.17 -1.57 0.00 0.00 175.55 172.35 2kku s LEU 137 N 5.00 3.82 0.08 -1.29 0.20 -0.34 -4.97 118.68 121.18 2kku s LEU 137 Ca 0.46 0.87 0.05 0.00 0.69 0.00 0.00 54.13 56.20 2kku s LEU 137 Cb -0.08 -3.55 -0.04 0.00 -0.43 0.00 0.00 46.19 42.10 2kku s LEU 137 CO 0.27 -1.03 -0.03 0.00 -0.29 0.00 0.00 176.35 175.26 2kku s ARG 138 N 3.99 2.45 0.00 1.98 3.03 -1.26 -1.22 118.95 127.92 2kku s ARG 138 Ca 0.48 -0.86 0.00 0.00 2.03 0.00 0.00 55.73 57.38 2kku s ARG 138 Cb -0.11 -2.48 0.00 0.00 -1.03 0.00 0.00 34.95 31.33 2kku s ARG 138 CO 0.22 0.54 0.00 -1.91 -1.13 0.00 0.00 175.30 173.02