#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kku n SER 2 N 0.00 0.00 0.30 7.83 7.64 -1.26 -2.71 113.62 125.42 2kku n SER 2 Ca 0.00 0.31 0.18 0.00 1.01 0.00 0.00 58.87 60.37 2kku n SER 2 Cb 0.00 -0.37 1.01 0.00 -1.01 0.00 0.00 64.21 63.84 2kku n SER 2 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2kku h LYS 3 N 0.00 0.00 0.00 1.43 2.10 -1.99 -3.49 116.57 114.61 2kku h LYS 3 Ca 0.00 0.00 0.22 0.00 -2.00 0.00 0.00 60.65 58.87 2kku h LYS 3 Cb 0.09 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.36 2kku h LYS 3 CO 0.00 0.00 -0.29 -0.89 -2.00 0.00 0.00 179.45 176.27 2kku n ILE 4 N -3.49 0.00 0.00 0.07 2.08 -1.10 -4.94 119.36 111.98 2kku n ILE 4 Ca -0.02 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.29 2kku n ILE 4 Cb 0.14 -0.27 0.00 0.00 -0.75 0.00 0.00 39.64 38.76 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 -2.83 0.00 -2.97 1.39 0.24 -0.52 -3.00 118.33 110.64 2kku n VAL 5 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 2kku n VAL 5 Cb 0.37 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.74 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 0.08 1.45 3.51 7.63 0.00 -0.72 -1.76 105.19 115.38 2kku n GLY 6 Ca 0.00 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.43 2.56 -0.03 1.61 0.11 -0.95 -1.69 120.40 119.59 2kku s VAL 7 Ca 0.00 -2.29 0.01 0.00 -2.93 0.00 0.00 61.98 56.78 2kku s VAL 7 Cb 0.00 -2.46 0.01 0.00 -1.53 0.00 0.00 36.38 32.41 2kku s VAL 7 CO 0.00 -0.35 -0.05 0.28 -3.33 0.00 0.00 175.10 171.65 2kku s THR 8 N -2.51 0.54 -0.00 5.04 -1.32 -0.39 -1.71 115.64 115.29 2kku s THR 8 Ca 0.31 -0.18 0.02 0.00 -1.21 0.00 0.00 61.69 60.63 2kku s THR 8 Cb -0.04 -0.52 -0.01 0.00 -1.51 0.00 0.00 72.50 70.42 2kku s THR 8 CO 0.16 0.20 -0.07 -0.31 -2.21 0.00 0.00 174.62 172.39 2kku s TYR 9 N 0.54 0.62 -0.63 9.09 1.51 -1.01 -1.54 117.35 125.94 2kku s TYR 9 Ca -0.07 -0.13 0.25 0.00 -1.01 0.00 0.00 57.07 56.11 2kku s TYR 9 Cb -0.11 -0.40 0.87 0.00 -0.11 0.00 0.00 41.96 42.22 2kku s TYR 9 CO 0.00 -0.01 1.76 -0.35 -1.11 0.00 0.00 175.55 175.83 2kku n PRO 10 N 2.83 0.25 -1.90 -1.71 -0.04 -1.26 -0.92 135.00 132.25 2kku n PRO 10 Ca -0.14 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2kku n PRO 10 Cb 0.57 -1.84 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 2kku n PRO 10 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2kku n ILE 11 N -2.28-11.22 0.32 0.52 2.08 -1.26 -3.06 119.36 104.46 2kku n ILE 11 Ca 0.04 2.65 0.12 0.00 0.56 0.00 0.00 62.75 66.12 2kku n ILE 11 Cb 0.36 -5.14 0.53 0.00 -0.75 0.00 0.00 39.64 34.64 2kku n ILE 11 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2kku n PRO 12 N 1.49 0.19 -3.30 0.38 -0.04 -1.26 -4.75 135.00 127.71 2kku n PRO 12 Ca 0.00 0.50 -0.13 0.00 -0.04 0.00 0.00 63.50 63.83 2kku n PRO 12 Cb 0.00 -1.92 -0.04 0.00 -0.04 0.00 0.00 33.50 31.50 2kku n PRO 12 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2kku n LYS 13 N -2.28 0.63 0.00 0.54 5.02 -1.26 -5.03 118.16 115.78 2kku n LYS 13 Ca 0.01 -1.88 0.05 0.00 -2.02 0.00 0.00 58.31 54.48 2kku n LYS 13 Cb 0.17 1.13 0.31 0.00 -0.02 0.00 0.00 35.03 36.62 2kku n LYS 13 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2kku n ARG 14 N -0.47 0.47 0.00 1.97 3.00 -1.26 -3.79 116.66 116.58 2kku n ARG 14 Ca -0.02 0.00 0.03 0.00 -0.00 0.00 0.00 57.85 57.86 2kku n ARG 14 Cb 0.33 -1.35 0.17 0.00 0.00 0.00 0.00 32.46 31.61 2kku n ARG 14 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2kku n PHE 15 N -0.85 0.00 0.03 -0.14 3.72 -1.26 -2.70 117.46 116.26 2kku n PHE 15 Ca 0.08 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.45 2kku n PHE 15 Cb 0.04 0.00 0.23 0.00 -0.94 0.00 0.00 39.48 38.81 2kku n PHE 15 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kku h MET 16 N 0.00 0.43 -0.00 -1.08 -0.00 -1.90 -3.12 114.93 109.26 2kku h MET 16 Ca 0.00 -0.15 -0.02 0.00 -0.00 0.00 0.00 59.70 59.53 2kku h MET 16 Cb 0.00 -0.03 -0.00 0.00 -0.00 0.00 0.00 31.60 31.57 2kku h MET 16 CO 0.00 0.64 -0.07 0.22 -0.00 0.00 0.00 176.91 177.70 2kku h ASP 17 N 0.38 0.00 -0.57 -0.10 3.58 -1.87 -2.83 116.42 115.02 2kku h ASP 17 Ca 0.06 -0.00 0.11 0.00 0.42 0.00 0.00 57.03 57.62 2kku h ASP 17 Cb 0.63 -0.00 -0.09 0.00 1.72 0.00 0.00 39.33 41.59 2kku h ASP 17 CO 0.04 0.08 0.09 0.03 -2.88 0.00 0.00 179.24 176.60 2kku h ARG 18 N 0.01 0.21 -0.04 0.28 2.47 -1.77 0.11 114.38 115.64 2kku h ARG 18 Ca 0.00 -0.01 -0.07 0.00 -1.26 0.00 0.00 59.98 58.64 2kku h ARG 18 Cb 0.13 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.40 2kku h ARG 18 CO 0.01 0.14 -0.30 0.74 0.56 0.00 0.00 179.97 181.11 2kku h PHE 19 N 0.21 0.07 0.00 3.04 -1.00 -1.69 -2.38 116.94 115.20 2kku h PHE 19 Ca 0.30 -0.01 -0.00 0.00 2.81 0.00 0.00 57.97 61.06 2kku h PHE 19 Cb 0.44 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 39.99 2kku h PHE 19 CO -0.27 0.37 -0.88 0.74 -1.61 0.00 0.00 178.31 176.66 2kku h PHE 20 N 0.06 0.00 0.14 -0.55 0.04 -1.46 -2.73 116.94 112.44 2kku h PHE 20 Ca 0.01 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 2kku h PHE 20 Cb 0.57 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.72 2kku h PHE 20 CO 0.00 0.02 -0.07 -0.22 -0.60 0.00 0.00 178.31 177.44 2kku h LYS 21 N 0.00 -0.18 0.00 1.51 3.11 -0.33 -3.39 116.57 117.29 2kku h LYS 21 Ca -0.00 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 2kku h LYS 21 Cb 1.02 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.29 2kku h LYS 21 CO 0.00 0.13 -1.46 0.36 -2.81 0.00 0.00 179.45 175.67 2kku n LYS 22 N -4.88 0.52 0.00 1.90 2.85 -0.96 -4.98 118.16 112.61 2kku n LYS 22 Ca -0.05 -0.06 0.00 0.00 -1.05 0.00 0.00 58.31 57.15 2kku n LYS 22 Cb 0.19 -1.62 0.00 0.00 -0.65 0.00 0.00 35.03 32.96 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 1.28 2.41 2.87 2.58 0.00 -1.03 -4.85 105.19 108.45 2kku n GLY 23 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 1.33 0.51 1.61 -0.14 -1.26 -2.87 119.74 118.93 2kku s LYS 24 Ca 0.00 -1.84 0.06 0.00 -1.36 0.00 0.00 55.97 52.83 2kku s LYS 24 Cb 0.00 -2.73 0.02 0.00 -1.68 0.00 0.00 37.83 33.43 2kku s LYS 24 CO 0.00 -1.03 0.36 0.34 -0.76 0.00 0.00 175.35 174.26 2kku s ASP 25 N 0.75 4.64 -0.17 2.83 -1.08 -0.48 -4.77 116.67 118.39 2kku s ASP 25 Ca 0.13 -1.18 -0.03 0.00 -0.52 0.00 0.00 52.55 50.96 2kku s ASP 25 Cb -0.21 0.17 0.05 0.00 -1.46 0.00 0.00 42.92 41.48 2kku s ASP 25 CO -0.09 -0.96 0.05 -0.69 0.52 0.00 0.00 175.17 173.99 2kku s VAL 26 N -2.71 0.33 -0.48 1.11 1.01 -0.14 -0.42 120.40 119.09 2kku s VAL 26 Ca 0.36 -0.33 -0.26 0.00 0.00 0.00 0.00 61.98 61.75 2kku s VAL 26 Cb -0.01 -0.82 0.03 0.00 0.00 0.00 0.00 36.38 35.58 2kku s VAL 26 CO 0.21 -0.15 0.96 0.12 0.00 0.00 0.00 175.10 176.24 2kku s PHE 27 N 1.95 2.87 0.05 5.22 5.36 0.44 -2.28 117.98 131.59 2kku s PHE 27 Ca 0.01 0.34 -0.20 0.00 -0.96 0.00 0.00 56.93 56.11 2kku s PHE 27 Cb -0.16 -4.05 -0.06 0.00 -0.34 0.00 0.00 43.02 38.41 2kku s PHE 27 CO -0.08 -1.18 0.59 0.14 -1.46 0.00 0.00 175.22 173.23 2kku s VAL 28 N 3.90 4.79 -0.02 3.12 -7.23 -1.26 -1.08 120.40 122.62 2kku s VAL 28 Ca 0.37 1.25 0.01 0.00 -1.81 0.00 0.00 61.98 61.80 2kku s VAL 28 Cb -0.10 -3.92 0.01 0.00 0.56 0.00 0.00 36.38 32.93 2kku s VAL 28 CO 0.25 0.50 -0.03 -0.75 -0.31 0.00 0.00 175.10 174.76 2kku s LYS 29 N -0.76 0.46 -0.73 4.82 2.47 -0.20 -5.00 119.74 120.80 2kku s LYS 29 Ca 0.30 -0.08 -0.06 0.00 -1.56 0.00 0.00 55.97 54.57 2kku s LYS 29 Cb -0.19 -0.50 -0.09 0.00 -1.46 0.00 0.00 37.83 35.58 2kku s LYS 29 CO 0.19 -0.01 2.34 -0.35 0.16 0.00 0.00 175.35 177.68 2kku n PRO 30 N 3.56 2.05 -2.27 4.03 -0.04 -1.26 -0.69 135.00 140.38 2kku n PRO 30 Ca -0.20 -1.31 -0.11 0.00 -0.04 0.00 0.00 63.50 61.84 2kku n PRO 30 Cb 0.54 -2.31 -0.01 0.00 -0.04 0.00 0.00 33.50 31.68 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 3.66 -0.70 0.16 0.55 0.00 -1.16 -4.86 120.51 118.16 2kku n ALA 31 Ca 0.44 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.99 2kku n ALA 31 Cb 0.28 -1.37 0.27 0.00 0.00 0.00 0.00 19.45 18.62 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 0.00 1.35 -3.70 0.00 2.02 -1.90 -3.43 112.91 107.25 2kku h THR 32 Ca -0.26 -1.65 -0.50 0.00 0.77 0.00 0.00 66.41 64.77 2kku h THR 32 Cb 1.12 1.88 -0.03 0.00 -1.74 0.00 0.00 68.15 69.39 2kku h THR 32 CO 0.32 0.47 0.10 -0.69 0.37 0.00 0.00 175.52 176.09 2kku s VAL 33 N -3.94 4.66 0.37 3.16 1.01 -1.26 -5.09 120.40 119.31 2kku s VAL 33 Ca -0.02 1.00 -0.06 0.00 0.00 0.00 0.00 61.98 62.90 2kku s VAL 33 Cb 0.14 -3.65 0.09 0.00 0.00 0.00 0.00 36.38 32.95 2kku s VAL 33 CO 0.75 -0.12 0.46 0.79 0.00 0.00 0.00 175.10 176.98 2kku n TRP 34 N -0.17 -3.87 0.44 5.22 8.01 -1.26 -4.95 117.44 120.85 2kku n TRP 34 Ca 0.02 -0.41 0.12 0.00 -1.31 0.00 0.00 57.50 55.92 2kku n TRP 34 Cb 0.53 -0.38 0.48 0.00 -2.01 0.00 0.00 31.31 29.93 2kku n TRP 34 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85 2kku n LYS 35 N -2.14 0.20 -0.20 -0.99 0.00 -1.26 -2.91 118.16 110.86 2kku n LYS 35 Ca 0.06 0.38 0.24 0.00 0.00 0.00 0.00 58.31 58.99 2kku n LYS 35 Cb 0.21 -1.85 0.63 0.00 0.00 0.00 0.00 35.03 34.02 2kku n LYS 35 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2kku h GLU 36 N 0.00 0.18 -6.05 1.64 4.39 -2.03 -3.38 114.58 109.33 2kku h GLU 36 Ca 0.00 -0.01 -0.52 0.00 0.34 0.00 0.00 59.36 59.17 2kku h GLU 36 Cb 0.42 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 2kku h GLU 36 CO 0.00 0.12 1.33 -1.17 -1.16 0.00 0.00 179.01 178.13 2kku s LEU 37 N -8.96 3.34 0.12 1.33 1.98 -1.14 -4.98 118.68 110.38 2kku s LEU 37 Ca -0.06 0.55 0.08 0.00 -2.89 0.00 0.00 54.13 51.81 2kku s LEU 37 Cb 0.22 -2.75 -0.04 0.00 0.66 0.00 0.00 46.19 44.28 2kku s LEU 37 CO 0.78 -2.23 -0.19 -1.59 -1.89 0.00 0.00 176.35 171.23 2kku s LYS 38 N 6.72 1.16 -0.63 1.98 0.00 -1.26 -5.02 119.74 122.68 2kku s LYS 38 Ca 0.70 -1.24 -0.26 0.00 0.00 0.00 0.00 55.97 55.17 2kku s LYS 38 Cb -0.15 -1.33 -0.02 0.00 0.00 0.00 0.00 37.83 36.33 2kku s LYS 38 CO 0.24 0.29 1.88 -1.25 0.00 0.00 0.00 175.35 176.51 2kku s PRO 39 N -2.23 2.60 0.00 1.78 0.04 -1.26 -2.89 135.00 133.04 2kku s PRO 39 Ca 0.09 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.69 2kku s PRO 39 Cb -0.08 -4.45 0.00 0.00 0.04 0.00 0.00 34.50 30.01 2kku s PRO 39 CO 0.05 -2.81 0.00 0.41 0.04 0.00 0.00 177.00 174.69 2kku n GLY 40 N 5.80 -0.81 1.09 0.56 0.00 -0.29 -4.87 105.19 106.66 2kku n GLY 40 Ca 0.22 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.18 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 0.44 -4.22 1.61 2.81 -1.14 -4.90 117.12 111.72 2kku n MET 41 Ca 0.00 -0.77 -0.22 0.00 -1.81 0.00 0.00 57.70 54.90 2kku n MET 41 Cb 0.00 -0.18 -0.06 0.00 -0.71 0.00 0.00 33.22 32.27 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 -3.12 2.56 -0.30 0.03 -2.85 -0.72 -0.55 119.74 114.77 2kku s LYS 42 Ca 0.18 -1.26 -0.02 0.00 -1.00 0.00 0.00 55.97 53.87 2kku s LYS 42 Cb -0.01 -2.33 0.10 0.00 -2.06 0.00 0.00 37.83 33.53 2kku s LYS 42 CO 0.12 0.38 0.11 0.12 0.10 0.00 0.00 175.35 176.18 2kku s PHE 43 N -2.24 1.18 -0.16 1.78 2.19 -0.55 -2.23 117.98 117.94 2kku s PHE 43 Ca 0.32 -1.42 -0.22 0.00 0.33 0.00 0.00 56.93 55.94 2kku s PHE 43 Cb -0.07 -1.40 -0.03 0.00 -1.31 0.00 0.00 43.02 40.21 2kku s PHE 43 CO 0.22 -0.86 0.68 0.08 1.83 0.00 0.00 175.22 177.17 2kku s VAL 44 N 1.78 5.01 -0.36 3.12 1.01 -0.70 -0.48 120.40 129.78 2kku s VAL 44 Ca 0.10 1.33 -0.20 0.00 0.00 0.00 0.00 61.98 63.20 2kku s VAL 44 Cb -0.17 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.22 2kku s VAL 44 CO -0.29 0.14 0.63 -0.36 0.00 0.00 0.00 175.10 175.22 2kku s PHE 45 N 1.64 3.14 0.40 5.22 0.08 -0.04 -2.40 117.98 126.03 2kku s PHE 45 Ca 0.33 0.31 -0.24 0.00 0.12 0.00 0.00 56.93 57.44 2kku s PHE 45 Cb -0.16 -3.15 -0.09 0.00 -0.57 0.00 0.00 43.02 39.05 2kku s PHE 45 CO 0.12 -0.65 1.07 -0.47 -0.10 0.00 0.00 175.22 175.20 2kku s TYR 46 N 2.71 3.22 -1.36 0.36 6.14 -0.10 -1.39 117.35 126.93 2kku s TYR 46 Ca 0.24 1.63 -0.12 0.00 0.64 0.00 0.00 57.07 59.46 2kku s TYR 46 Cb -0.14 -3.18 0.11 0.00 0.42 0.00 0.00 41.96 39.16 2kku s TYR 46 CO 0.15 -0.77 2.03 0.94 0.64 0.00 0.00 175.55 178.54 2kku n GLN 47 N -0.07 3.25 0.00 4.97 7.27 -0.02 -4.24 117.38 128.54 2kku n GLN 47 Ca 0.05 -3.10 0.00 0.00 0.07 0.00 0.00 57.00 54.02 2kku n GLN 47 Cb 0.49 -3.11 0.00 0.00 2.41 0.00 0.00 30.24 30.03 2kku n GLN 47 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 2kku n SER 48 N 5.01 0.00 -3.24 1.69 3.41 -1.17 -3.19 113.62 116.12 2kku n SER 48 Ca 0.46 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.98 2kku n SER 48 Cb 0.38 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.29 2kku n SER 48 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 2kku s HIS 49 N 0.00 -1.00 0.21 7.33 0.00 -1.26 -4.86 115.29 115.71 2kku s HIS 49 Ca 0.00 -0.39 -0.23 0.00 -3.00 0.00 0.00 55.06 51.44 2kku s HIS 49 Cb 0.00 -0.04 0.05 0.00 -4.00 0.00 0.00 32.58 28.59 2kku s HIS 49 CO 0.00 -1.09 0.87 -2.00 -1.00 0.00 0.00 174.74 171.52 2kku s GLU 50 N 1.50 1.46 0.11 -0.38 2.12 -1.19 -5.08 118.70 117.24 2kku s GLU 50 Ca 0.18 -0.83 -0.20 0.00 0.36 0.00 0.00 54.97 54.49 2kku s GLU 50 Cb -0.08 0.49 -0.09 0.00 0.26 0.00 0.00 34.13 34.71 2kku s GLU 50 CO -0.05 -0.67 1.73 -0.44 -0.54 0.00 0.00 175.26 175.28 2kku h ASP 51 N 2.00 0.20 -2.19 -1.70 5.19 -2.01 -3.38 116.42 114.53 2kku h ASP 51 Ca -0.23 -0.05 -0.52 0.00 -0.62 0.00 0.00 57.03 55.61 2kku h ASP 51 Cb 1.24 -0.05 -0.04 0.00 0.18 0.00 0.00 39.33 40.66 2kku h ASP 51 CO 0.26 0.19 1.32 0.42 -3.12 0.00 0.00 179.24 178.31 2kku s THR 52 N -6.00 3.42 0.10 0.35 -4.23 -1.26 -4.78 115.64 103.24 2kku s THR 52 Ca -0.13 0.30 -0.20 0.00 -1.18 0.00 0.00 61.69 60.47 2kku s THR 52 Cb 0.08 -3.93 -0.09 0.00 1.34 0.00 0.00 72.50 69.90 2kku s THR 52 CO 0.69 -0.83 1.67 1.23 -0.54 0.00 0.00 174.62 176.83 2kku h GLY 53 N 15.63 0.27 -6.15 3.99 0.00 -1.66 -3.39 103.07 111.75 2kku h GLY 53 Ca -0.27 -0.13 -0.60 0.00 0.00 0.00 0.00 47.33 46.33 2kku h GLY 53 CO 1.18 0.13 -0.40 -1.36 0.00 0.00 0.00 176.54 176.09 2kku s PHE 54 N -5.72 3.43 -0.12 5.60 0.08 -0.98 -0.84 117.98 119.43 2kku s PHE 54 Ca -0.13 0.46 0.11 0.00 0.12 0.00 0.00 56.93 57.49 2kku s PHE 54 Cb 0.07 -2.27 -0.24 0.00 -0.57 0.00 0.00 43.02 40.01 2kku s PHE 54 CO 0.70 0.23 0.36 1.55 -0.10 0.00 0.00 175.22 177.96 2kku n VAL 55 N 3.64 1.56 -3.36 -0.44 3.14 -0.48 -4.71 118.33 117.66 2kku n VAL 55 Ca -0.14 -0.78 0.00 0.00 -2.96 0.00 0.00 64.34 60.47 2kku n VAL 55 Cb 0.52 -0.99 0.00 0.00 -1.06 0.00 0.00 33.84 32.31 2kku n VAL 55 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2kku n GLY 56 N 1.74 1.12 3.77 7.55 0.00 -1.02 -0.97 105.19 117.37 2kku n GLY 56 Ca -0.27 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.17 2.17 0.14 1.61 -1.05 -0.82 -0.86 118.70 118.73 2kku s GLU 57 Ca 0.00 -1.46 -0.06 0.00 -0.15 0.00 0.00 54.97 53.30 2kku s GLU 57 Cb 0.00 0.60 0.02 0.00 -0.44 0.00 0.00 34.13 34.32 2kku s GLU 57 CO 0.00 -1.00 0.32 0.00 0.95 0.00 0.00 175.26 175.52 2kku n ALA 58 N -0.53 -0.73 -4.10 -0.84 0.00 0.37 0.33 120.51 115.01 2kku n ALA 58 Ca -0.07 -0.47 -0.32 0.00 0.00 0.00 0.00 53.44 52.57 2kku n ALA 58 Cb 0.60 0.36 -0.16 0.00 0.00 0.00 0.00 19.45 20.25 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 -2.03 2.86 0.27 0.00 1.81 -0.56 -1.49 118.95 119.81 2kku s ARG 59 Ca 0.06 -0.78 -0.29 0.00 -1.72 0.00 0.00 55.73 53.00 2kku s ARG 59 Cb -0.02 -2.48 -0.10 0.00 -0.45 0.00 0.00 34.95 31.91 2kku s ARG 59 CO 0.04 -0.21 1.22 0.42 -0.68 0.00 0.00 175.30 176.09 2kku s ILE 60 N 1.32 3.17 0.00 1.52 1.01 0.28 -1.62 121.20 126.89 2kku s ILE 60 Ca 0.05 1.11 0.00 0.00 0.00 0.00 0.00 60.65 61.81 2kku s ILE 60 Cb -0.13 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.63 2kku s ILE 60 CO -0.13 0.24 0.00 0.29 0.00 0.00 0.00 174.94 175.34 2kku n LYS 61 N 1.46 0.00 -1.28 2.79 4.76 0.11 -1.14 118.16 124.86 2kku n LYS 61 Ca 0.01 0.00 -0.50 0.00 -2.87 0.00 0.00 58.31 54.95 2kku n LYS 61 Cb 0.43 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.55 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 -3.56 1.97 1.85 -1.26 -2.65 116.66 113.00 2kku n ARG 62 Ca 0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.44 2kku n ARG 62 Cb 0.00 -1.13 -0.10 0.00 -1.05 0.00 0.00 32.46 30.18 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 1.78 4.48 -0.36 8.89 -7.23 -1.25 -1.61 120.40 125.10 2kku s VAL 63 Ca 0.77 -1.25 -0.20 0.00 -1.81 0.00 0.00 61.98 59.49 2kku s VAL 63 Cb -1.09 -3.69 0.00 0.00 0.56 0.00 0.00 36.38 32.16 2kku s VAL 63 CO 0.58 -0.48 0.60 -0.69 -0.31 0.00 0.00 175.10 174.80 2kku s VAL 64 N 1.49 4.93 -0.30 1.32 1.01 -0.44 -4.84 120.40 123.55 2kku s VAL 64 Ca 0.03 0.49 -0.15 0.00 0.00 0.00 0.00 61.98 62.35 2kku s VAL 64 Cb -0.23 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 2kku s VAL 64 CO 0.04 -0.29 0.36 -0.76 0.00 0.00 0.00 175.10 174.45 2kku s LEU 65 N 2.61 4.20 -0.15 3.92 1.43 -1.26 -0.93 118.68 128.50 2kku s LEU 65 Ca 0.23 0.06 -0.14 0.00 -1.03 0.00 0.00 54.13 53.24 2kku s LEU 65 Cb -0.15 -2.38 0.04 0.00 0.03 0.00 0.00 46.19 43.73 2kku s LEU 65 CO 0.14 -0.25 0.40 -0.55 0.23 0.00 0.00 176.35 176.32 2kku s SER 66 N 1.69 -0.42 0.51 2.29 0.15 -0.49 -5.01 113.70 112.43 2kku s SER 66 Ca 0.13 0.81 0.28 0.00 0.70 0.00 0.00 55.95 57.87 2kku s SER 66 Cb -0.16 0.81 1.34 0.00 -1.71 0.00 0.00 66.02 66.31 2kku s SER 66 CO 0.11 -0.14 2.01 -0.33 1.20 0.00 0.00 173.24 176.09 2kku h GLU 67 N 5.58 0.00 -5.06 5.44 5.08 -1.82 -0.69 114.58 123.11 2kku h GLU 67 Ca -0.27 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.46 2kku h GLU 67 Cb 1.18 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.28 2kku h GLU 67 CO 0.26 0.14 -0.36 -0.80 -1.00 0.00 0.00 179.01 177.24 2kku s ASN 68 N -6.09 6.16 0.55 1.42 0.01 -1.26 -4.28 114.94 111.45 2kku s ASN 68 Ca -0.02 0.17 0.36 0.00 -0.71 0.00 0.00 52.86 52.66 2kku s ASN 68 Cb 0.12 -2.17 1.70 0.00 0.41 0.00 0.00 41.25 41.31 2kku s ASN 68 CO 0.59 -0.11 2.08 1.55 -1.51 0.00 0.00 177.10 179.70 2kku h PRO 69 N 8.16 0.00 0.00 -0.60 0.13 -1.89 -3.10 132.00 134.70 2kku h PRO 69 Ca -0.34 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.74 2kku h PRO 69 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2kku h PRO 69 CO 0.61 0.00 -0.27 0.52 -0.23 0.00 0.00 178.00 178.63 2kku h MET 70 N 0.00 0.00 0.00 0.86 2.86 -1.95 -2.52 114.93 114.19 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 0.29 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 2kku h MET 70 CO 0.00 0.27 -0.03 1.96 1.06 0.00 0.00 176.91 180.17 2kku h GLN 71 N 0.00 0.00 0.00 1.72 1.08 -1.95 -1.69 115.11 114.27 2kku h GLN 71 Ca -0.00 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.08 2kku h GLN 71 Cb 0.80 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.21 2kku h GLN 71 CO 0.04 0.03 -0.68 0.74 -0.95 0.00 0.00 178.83 178.00 2kku h PHE 72 N 0.00 0.00 0.00 2.96 0.04 -1.67 -2.69 116.94 115.58 2kku h PHE 72 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2kku h PHE 72 Cb 0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.22 2kku h PHE 72 CO 0.00 0.53 -0.70 1.19 -0.60 0.00 0.00 178.31 178.73 2kku n PHE 73 N -3.17 0.46 -0.02 -0.55 3.72 -0.68 -1.22 117.46 115.99 2kku n PHE 73 Ca -0.00 0.13 -0.09 0.00 -0.05 0.00 0.00 57.45 57.44 2kku n PHE 73 Cb 0.76 -0.58 -0.14 0.00 -0.94 0.00 0.00 39.48 38.58 2kku n PHE 73 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 2kku n GLU 74 N -2.04 0.64 0.01 -1.08 0.28 -0.90 -3.53 120.64 114.01 2kku n GLU 74 Ca 0.03 0.29 -0.02 0.00 -0.16 0.00 0.00 57.16 57.30 2kku n GLU 74 Cb 0.43 -1.78 -0.01 0.00 1.43 0.00 0.00 31.44 31.51 2kku n GLU 74 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 2kku h THR 75 N 0.00 0.03 0.00 3.84 2.02 -1.54 -3.44 112.91 113.82 2kku h THR 75 Ca -0.30 -0.92 -0.04 0.00 0.77 0.00 0.00 66.41 65.92 2kku h THR 75 Cb 2.02 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 2kku h THR 75 CO 0.08 0.01 -1.12 0.49 0.37 0.00 0.00 175.52 175.35 2kku n PHE 76 N -4.86 0.03 0.00 3.16 3.72 -0.36 -5.00 117.46 114.15 2kku n PHE 76 Ca -0.02 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2kku n PHE 76 Cb 0.06 -0.55 0.00 0.00 -0.94 0.00 0.00 39.48 38.04 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 1.45 0.93 0.27 1.37 0.00 -0.86 -3.05 105.19 105.29 2kku n GLY 77 Ca -0.17 0.47 0.16 0.00 0.00 0.00 0.00 46.02 46.47 2kku n GLY 77 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2kku h ASP 78 N 0.00 0.00 0.08 1.61 3.32 -1.88 -2.34 116.42 117.21 2kku h ASP 78 Ca 0.00 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.86 2kku h ASP 78 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 2kku h ASP 78 CO 0.00 0.05 -0.70 0.03 -1.72 0.00 0.00 179.24 176.90 2kku h ARG 79 N 0.00 0.56 -7.13 3.56 2.47 -1.84 -3.46 114.38 108.54 2kku h ARG 79 Ca -0.00 -0.43 -0.53 0.00 -1.26 0.00 0.00 59.98 57.76 2kku h ARG 79 Cb 0.51 0.08 0.13 0.00 -1.65 0.00 0.00 29.97 29.04 2kku h ARG 79 CO 0.01 1.05 0.45 0.08 0.56 0.00 0.00 179.97 182.12 2kku s VAL 80 N -3.76 2.50 -1.21 2.04 1.01 -0.88 -0.97 120.40 119.13 2kku s VAL 80 Ca -0.07 0.29 0.09 0.00 0.00 0.00 0.00 61.98 62.29 2kku s VAL 80 Cb 0.10 -3.02 0.12 0.00 0.00 0.00 0.00 36.38 33.58 2kku s VAL 80 CO 0.86 -0.09 1.24 2.22 0.00 0.00 0.00 175.10 179.33 2kku n PHE 81 N -1.98 0.00 -4.08 5.22 1.16 -0.97 -4.74 117.46 112.08 2kku n PHE 81 Ca 0.14 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.60 2kku n PHE 81 Cb 0.50 -0.39 -0.06 0.00 -1.61 0.00 0.00 39.48 37.91 2kku n PHE 81 CO 0.00 0.00 0.00 -0.48 -1.87 0.00 0.00 176.76 174.41 2kku s LEU 82 N -2.79 0.71 0.50 5.98 2.34 -1.26 -4.83 118.68 119.34 2kku s LEU 82 Ca 0.07 -1.19 0.04 0.00 0.06 0.00 0.00 54.13 53.11 2kku s LEU 82 Cb 0.06 1.32 0.03 0.00 -0.56 0.00 0.00 46.19 47.04 2kku s LEU 82 CO 0.16 -1.10 0.70 0.28 -1.06 0.00 0.00 176.35 175.33 2kku s THR 83 N -3.83 2.76 0.36 5.48 -1.32 -1.26 -4.83 115.64 113.01 2kku s THR 83 Ca 0.29 -0.82 0.21 0.00 -1.21 0.00 0.00 61.69 60.16 2kku s THR 83 Cb 0.01 -2.95 0.22 0.00 -1.51 0.00 0.00 72.50 68.28 2kku s THR 83 CO 0.13 0.00 1.96 0.50 -2.21 0.00 0.00 174.62 174.99 2kku h LYS 84 N 0.29 0.00 0.39 7.08 3.64 -1.92 -1.42 116.57 124.63 2kku h LYS 84 Ca -0.40 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.96 2kku h LYS 84 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2kku h LYS 84 CO 0.48 0.21 -0.19 -0.44 -2.27 0.00 0.00 179.45 177.25 2kku h ASP 85 N 0.00 -0.44 -0.39 4.20 5.19 -2.00 -1.56 116.42 121.42 2kku h ASP 85 Ca -0.00 0.01 0.03 0.00 -0.62 0.00 0.00 57.03 56.45 2kku h ASP 85 Cb 0.49 0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.09 2kku h ASP 85 CO 0.03 -0.31 0.26 -0.33 -3.12 0.00 0.00 179.24 175.77 2kku h GLU 86 N -0.53 0.37 0.72 3.56 4.39 -1.80 -2.15 114.58 119.13 2kku h GLU 86 Ca -0.05 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 2kku h GLU 86 Cb 0.41 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 28.98 2kku h GLU 86 CO 0.09 0.25 -0.34 1.25 -1.16 0.00 0.00 179.01 179.09 2kku h LEU 87 N 0.39 -0.81 -0.95 1.33 5.85 -1.09 -1.67 115.31 118.35 2kku h LEU 87 Ca 0.16 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 2kku h LEU 87 Cb 0.15 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 2kku h LEU 87 CO -0.04 -0.50 0.32 0.07 -0.34 0.00 0.00 178.44 177.96 2kku h LYS 88 N -1.11 1.08 0.00 1.25 5.09 -0.84 -0.47 116.57 121.56 2kku h LYS 88 Ca -0.10 -0.17 -0.04 0.00 0.09 0.00 0.00 60.65 60.43 2kku h LYS 88 Cb 0.76 -0.19 -0.01 0.00 0.10 0.00 0.00 32.23 32.90 2kku h LYS 88 CO 0.16 0.85 -0.47 1.05 -2.09 0.00 0.00 179.45 178.95 2kku h GLU 89 N 1.06 0.00 -0.18 0.07 4.11 -1.52 -0.97 114.58 117.16 2kku h GLU 89 Ca 0.25 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.65 2kku h GLU 89 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2kku h GLU 89 CO -0.03 0.16 -0.01 -0.92 0.07 0.00 0.00 179.01 178.29 2kku h TYR 90 N 0.00 0.35 -0.08 2.06 3.20 -0.79 -1.81 116.97 119.90 2kku h TYR 90 Ca -0.02 -0.06 -0.09 0.00 3.14 0.00 0.00 58.73 61.70 2kku h TYR 90 Cb 1.16 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 2kku h TYR 90 CO 0.00 0.54 -0.35 0.52 -1.64 0.00 0.00 178.16 177.23 2kku h MET 91 N 0.06 0.16 0.22 1.82 2.86 -0.99 -0.62 114.93 118.44 2kku h MET 91 Ca 0.05 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2kku h MET 91 Cb 0.41 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.06 2kku h MET 91 CO 0.01 0.49 -0.11 0.87 1.06 0.00 0.00 176.91 179.24 2kku h LYS 92 N 0.14 -0.28 -0.42 1.72 1.79 -1.18 -2.10 116.57 116.23 2kku h LYS 92 Ca 0.02 0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.55 2kku h LYS 92 Cb 0.69 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.38 2kku h LYS 92 CO 0.05 -0.16 0.28 1.03 -1.08 0.00 0.00 179.45 179.57 2kku h SER 93 N -0.33 0.33 -0.16 0.86 0.87 -0.65 0.60 113.55 115.07 2kku h SER 93 Ca -0.03 -0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.42 2kku h SER 93 Cb 0.25 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2kku h SER 93 CO 0.05 0.22 -0.31 1.56 -0.53 0.00 0.00 176.83 177.83 2kku h GLN 94 N 0.38 0.48 0.00 2.24 1.08 -1.03 -2.84 115.11 115.43 2kku h GLN 94 Ca 0.18 -0.31 -0.09 0.00 -1.45 0.00 0.00 58.65 56.98 2kku h GLN 94 Cb 0.23 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 2kku h GLN 94 CO -0.04 0.92 -0.70 1.05 -0.95 0.00 0.00 178.83 179.11 2kku h GLU 95 N 0.11 0.00 0.04 1.46 4.11 -0.67 -0.81 114.58 118.82 2kku h GLU 95 Ca 0.01 0.00 -0.38 0.00 0.07 0.00 0.00 59.36 59.05 2kku h GLU 95 Cb 0.90 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.10 2kku h GLU 95 CO 0.07 0.30 -2.28 2.89 0.07 0.00 0.00 179.01 180.06 2kku n ARG 96 N -3.05 0.68 -0.10 1.06 1.85 0.14 -3.94 116.66 113.29 2kku n ARG 96 Ca -0.01 0.21 -0.23 0.00 -1.00 0.00 0.00 57.85 56.83 2kku n ARG 96 Cb 0.70 -1.59 -0.12 0.00 -1.05 0.00 0.00 32.46 30.41 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 -3.47 0.93 0.00 2.89 5.03 -1.07 -4.76 117.44 116.99 2kku n TRP 97 Ca -0.42 0.37 0.00 0.00 3.03 0.00 0.00 57.50 60.48 2kku n TRP 97 Cb 0.99 -1.10 0.00 0.00 -1.03 0.00 0.00 31.31 30.17 2kku n TRP 97 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2kku n GLY 98 N 1.49 0.19 2.82 6.99 0.00 -1.07 -5.05 105.19 110.56 2kku n GLY 98 Ca -0.35 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.67 2kku n GLY 98 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kku n ARG 99 N -0.66 -2.85 0.15 1.61 0.63 -0.33 -4.94 116.66 110.28 2kku n ARG 99 Ca 0.00 2.38 0.01 0.00 -0.92 0.00 0.00 57.85 59.32 2kku n ARG 99 Cb 0.00 -4.53 0.23 0.00 0.45 0.00 0.00 32.46 28.62 2kku n ARG 99 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2kku h ARG 100 N 3.13 0.00 0.00 -0.14 3.08 -1.91 -3.46 114.38 115.08 2kku h ARG 100 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2kku h ARG 100 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2kku h ARG 100 CO 0.08 0.53 0.00 2.89 -1.07 0.00 0.00 179.97 182.40 2kku n ARG 101 N -3.75 0.00 0.00 0.04 1.85 -1.26 -5.17 116.66 108.37 2kku n ARG 101 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.84 2kku n ARG 101 Cb 0.57 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.98 2kku n ARG 101 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 2kku n GLU 102 N -2.77 0.00 -3.45 2.89 0.00 -1.26 -5.17 120.64 110.88 2kku n GLU 102 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 57.16 56.94 2kku n GLU 102 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 31.44 31.33 2kku n GLU 102 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 2kku s SER 103 N 0.00 2.35 -0.22 4.31 1.04 -1.26 -4.94 113.70 114.98 2kku s SER 103 Ca 0.00 -1.08 -0.02 0.00 0.48 0.00 0.00 55.95 55.34 2kku s SER 103 Cb 0.00 0.17 -0.13 0.00 0.10 0.00 0.00 66.02 66.16 2kku s SER 103 CO 0.00 -0.39 -0.22 0.29 0.98 0.00 0.00 173.24 173.90 2kku n LYS 104 N 5.15 0.52 -1.73 4.02 4.76 -1.26 -5.05 118.16 124.57 2kku n LYS 104 Ca -0.02 0.15 -0.33 0.00 -2.87 0.00 0.00 58.31 55.24 2kku n LYS 104 Cb 0.44 -1.40 0.05 0.00 -1.84 0.00 0.00 35.03 32.28 2kku n LYS 104 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2kku s LYS 105 N -2.43 2.82 0.99 1.97 2.47 -1.26 -5.07 119.74 119.23 2kku s LYS 105 Ca -0.30 1.32 -0.16 0.00 -1.56 0.00 0.00 55.97 55.27 2kku s LYS 105 Cb 0.09 -1.96 0.23 0.00 -1.46 0.00 0.00 37.83 34.73 2kku s LYS 105 CO 0.47 -1.22 1.35 -1.59 0.16 0.00 0.00 175.35 174.52 2kku s LYS 106 N -4.22 0.35 0.07 4.03 0.00 -1.26 -5.13 119.74 113.58 2kku s LYS 106 Ca 0.65 -0.57 0.03 0.00 0.00 0.00 0.00 55.97 56.09 2kku s LYS 106 Cb -0.19 -1.84 -0.03 0.00 0.00 0.00 0.00 37.83 35.77 2kku s LYS 106 CO 0.43 -2.58 -0.09 0.21 0.00 0.00 0.00 175.35 173.31 2kku s LYS 107 N -5.94 0.71 -0.15 1.78 2.47 -1.26 -5.12 119.74 112.22 2kku s LYS 107 Ca 0.77 -0.97 -0.29 0.00 -1.56 0.00 0.00 55.97 53.91 2kku s LYS 107 Cb -0.02 -0.45 -0.01 0.00 -1.46 0.00 0.00 37.83 35.88 2kku s LYS 107 CO 0.54 0.08 1.21 -1.17 0.16 0.00 0.00 175.35 176.16 2kku s LEU 108 N -2.02 4.19 0.25 5.43 1.98 -1.26 -4.36 118.68 122.89 2kku s LEU 108 Ca -0.02 1.67 0.07 0.00 -2.89 0.00 0.00 54.13 52.96 2kku s LEU 108 Cb -0.06 -3.54 -0.04 0.00 0.66 0.00 0.00 46.19 43.21 2kku s LEU 108 CO 0.00 -0.70 0.17 0.26 -1.89 0.00 0.00 176.35 174.19 2kku s TRP 109 N 3.12 3.06 -0.03 5.38 0.52 -0.27 -2.99 118.94 127.72 2kku s TRP 109 Ca 0.53 -0.12 0.01 0.00 0.02 0.00 0.00 56.10 56.54 2kku s TRP 109 Cb -0.21 -1.38 0.02 0.00 -1.15 0.00 0.00 33.47 30.75 2kku s TRP 109 CO 0.15 0.53 -0.02 0.00 0.02 0.00 0.00 176.95 177.64 2kku s MET 110 N -3.78 0.48 -0.43 4.98 0.23 0.14 -1.39 119.30 119.53 2kku s MET 110 Ca 0.33 -0.01 -0.07 0.00 -1.03 0.00 0.00 55.69 54.91 2kku s MET 110 Cb -0.08 -0.58 0.10 0.00 -1.53 0.00 0.00 34.83 32.74 2kku s MET 110 CO 0.24 -0.09 0.26 0.00 -2.03 0.00 0.00 175.02 173.39 2kku s ALA 111 N 0.88 3.26 -0.22 3.16 0.00 -0.11 -1.03 121.76 127.70 2kku s ALA 111 Ca -0.10 -2.38 -0.25 0.00 0.00 0.00 0.00 51.96 49.24 2kku s ALA 111 Cb -0.13 -2.60 -0.01 0.00 0.00 0.00 0.00 23.12 20.38 2kku s ALA 111 CO -0.01 -1.76 0.82 0.42 0.00 0.00 0.00 175.76 175.23 2kku s ILE 112 N 1.31 4.86 0.06 0.00 1.01 -0.24 -1.33 121.20 126.86 2kku s ILE 112 Ca 0.05 1.57 -0.28 0.00 0.00 0.00 0.00 60.65 61.99 2kku s ILE 112 Cb -0.24 -4.11 -0.05 0.00 0.01 0.00 0.00 42.46 38.07 2kku s ILE 112 CO -0.01 -0.04 0.89 -0.70 0.00 0.00 0.00 174.94 175.08 2kku s GLU 113 N 2.62 4.60 -0.08 2.79 2.12 -0.63 -0.42 118.70 129.69 2kku s GLU 113 Ca 0.35 1.30 0.04 0.00 0.36 0.00 0.00 54.97 57.02 2kku s GLU 113 Cb -0.16 -3.39 -0.01 0.00 0.26 0.00 0.00 34.13 30.83 2kku s GLU 113 CO 0.09 0.17 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.26 2kku s LEU 114 N 0.24 2.32 0.18 2.70 2.01 0.44 0.09 118.68 126.65 2kku s LEU 114 Ca 0.45 -0.44 0.01 0.00 0.01 0.00 0.00 54.13 54.17 2kku s LEU 114 Cb -0.22 -1.46 -0.05 0.00 0.01 0.00 0.00 46.19 44.47 2kku s LEU 114 CO 0.27 0.22 0.03 -1.83 1.01 0.00 0.00 176.35 176.04 2kku s GLU 115 N 0.01 1.12 -1.47 1.70 -1.05 -0.64 -1.38 118.70 116.99 2kku s GLU 115 Ca -0.07 -1.55 -0.08 0.00 -0.15 0.00 0.00 54.97 53.12 2kku s GLU 115 Cb -0.15 -0.17 0.03 0.00 -0.44 0.00 0.00 34.13 33.40 2kku s GLU 115 CO 0.05 -0.18 0.76 -3.47 0.95 0.00 0.00 175.26 173.37 2kku n ASP 116 N -0.24 -5.62 -4.60 0.83 2.03 -1.14 -1.50 116.55 106.32 2kku n ASP 116 Ca -0.05 -0.42 -0.43 0.00 0.52 0.00 0.00 54.79 54.41 2kku n ASP 116 Cb 0.64 -4.52 -0.03 0.00 -0.72 0.00 0.00 41.12 36.49 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 -3.18 3.19 0.74 5.18 1.01 -1.21 -4.58 120.40 121.54 2kku s VAL 117 Ca 0.43 0.19 -0.12 0.00 0.00 0.00 0.00 61.98 62.48 2kku s VAL 117 Cb -0.20 -3.26 0.03 0.00 0.00 0.00 0.00 36.38 32.95 2kku s VAL 117 CO 0.53 -0.17 1.11 -0.75 0.00 0.00 0.00 175.10 175.81 2kku s LYS 118 N 6.16 2.61 -0.08 2.72 2.47 0.15 -4.92 119.74 128.84 2kku s LYS 118 Ca 0.92 0.44 0.01 0.00 -1.56 0.00 0.00 55.97 55.78 2kku s LYS 118 Cb -0.28 -1.99 0.02 0.00 -1.46 0.00 0.00 37.83 34.11 2kku s LYS 118 CO 0.34 -1.21 -0.08 0.15 0.16 0.00 0.00 175.35 174.71 2kku s LYS 119 N -5.36 1.39 -1.15 4.03 -0.14 -1.26 -1.94 119.74 115.30 2kku s LYS 119 Ca 0.59 -0.25 -0.16 0.00 -1.36 0.00 0.00 55.97 54.80 2kku s LYS 119 Cb -0.12 -1.35 0.15 0.00 -1.68 0.00 0.00 37.83 34.83 2kku s LYS 119 CO 0.52 -0.14 1.40 0.71 -0.76 0.00 0.00 175.35 177.08 2kku s TYR 120 N 1.26 3.32 0.32 3.18 1.51 -0.15 -4.77 117.35 122.02 2kku s TYR 120 Ca -0.04 -1.89 0.07 0.00 -1.01 0.00 0.00 57.07 54.20 2kku s TYR 120 Cb -0.14 -4.37 0.55 0.00 -0.11 0.00 0.00 41.96 37.89 2kku s TYR 120 CO -0.03 -1.48 1.76 0.22 -1.11 0.00 0.00 175.55 174.92 2kku h ASP 121 N 7.62 0.25 -4.00 2.29 3.58 -1.89 -3.42 116.42 120.85 2kku h ASP 121 Ca 0.29 -0.09 -0.45 0.00 0.42 0.00 0.00 57.03 57.21 2kku h ASP 121 Cb 0.91 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.87 2kku h ASP 121 CO 1.25 0.57 0.33 -1.59 -2.88 0.00 0.00 179.24 176.91 2kku s LYS 122 N -4.32 4.30 -0.61 0.28 -2.85 -1.26 -5.02 119.74 110.26 2kku s LYS 122 Ca -0.05 1.14 -0.28 0.00 -1.00 0.00 0.00 55.97 55.79 2kku s LYS 122 Cb 0.14 -2.35 0.02 0.00 -2.06 0.00 0.00 37.83 33.58 2kku s LYS 122 CO 0.76 0.06 1.39 -1.25 0.10 0.00 0.00 175.35 176.41 2kku s PRO 123 N -2.89 3.25 -0.07 1.78 0.04 -1.26 -4.94 135.00 130.90 2kku s PRO 123 Ca 0.59 0.28 0.03 0.00 0.04 0.00 0.00 61.00 61.94 2kku s PRO 123 Cb -0.11 -4.14 0.01 0.00 0.04 0.00 0.00 34.50 30.29 2kku s PRO 123 CO 0.16 -2.02 -0.17 0.42 0.04 0.00 0.00 177.00 175.43 2kku s ILE 124 N 6.08 1.53 -0.01 0.56 1.01 -1.26 -5.04 121.20 124.08 2kku s ILE 124 Ca 0.48 -0.72 -0.06 0.00 0.00 0.00 0.00 60.65 60.35 2kku s ILE 124 Cb -0.10 -1.35 -0.05 0.00 0.01 0.00 0.00 42.46 40.98 2kku s ILE 124 CO 0.22 0.44 0.25 -1.59 0.00 0.00 0.00 174.94 174.27 2kku s LYS 125 N 0.43 3.56 0.92 2.79 0.00 -1.26 -2.32 119.74 123.86 2kku s LYS 125 Ca -0.14 -0.09 -0.14 0.00 0.00 0.00 0.00 55.97 55.59 2kku s LYS 125 Cb -0.16 -3.09 0.18 0.00 0.00 0.00 0.00 37.83 34.76 2kku s LYS 125 CO 0.05 0.66 1.28 -1.25 0.00 0.00 0.00 175.35 176.10 2kku s PRO 126 N -1.70 0.91 0.39 1.78 0.04 -1.26 -4.95 135.00 130.21 2kku s PRO 126 Ca 0.26 -0.38 0.09 0.00 0.04 0.00 0.00 61.00 61.02 2kku s PRO 126 Cb -0.13 -1.89 0.78 0.00 0.04 0.00 0.00 34.50 33.29 2kku s PRO 126 CO 0.15 -2.23 1.92 0.87 0.04 0.00 0.00 177.00 177.75 2kku h LYS 127 N -1.48 0.26 -3.17 4.56 6.56 -2.03 -3.46 116.57 117.81 2kku h LYS 127 Ca -0.44 -0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.08 2kku h LYS 127 Cb 1.25 -0.04 -0.10 0.00 -0.57 0.00 0.00 32.23 32.77 2kku h LYS 127 CO 0.42 0.38 0.11 -0.98 -2.06 0.00 0.00 179.45 177.32 2kku s ARG 128 N -4.76 1.38 0.25 3.15 1.70 -1.26 -5.15 118.95 114.26 2kku s ARG 128 Ca -0.06 -0.74 -0.30 0.00 -0.47 0.00 0.00 55.73 54.16 2kku s ARG 128 Cb 0.15 0.55 -0.10 0.00 -0.57 0.00 0.00 34.95 34.99 2kku s ARG 128 CO 0.73 -0.60 1.44 -1.17 -1.08 0.00 0.00 175.30 174.63 2kku s LEU 129 N -2.83 4.39 -0.59 -1.89 1.98 -1.26 -5.00 118.68 113.47 2kku s LEU 129 Ca 0.06 2.67 -0.07 0.00 -2.89 0.00 0.00 54.13 53.90 2kku s LEU 129 Cb -0.01 -3.62 0.15 0.00 0.66 0.00 0.00 46.19 43.36 2kku s LEU 129 CO -0.06 -0.70 0.45 -0.69 -1.89 0.00 0.00 176.35 173.46 2kku s VAL 130 N -0.03 4.21 0.64 1.68 1.01 -1.26 -4.92 120.40 121.74 2kku s VAL 130 Ca 0.59 -2.38 -0.11 0.00 0.00 0.00 0.00 61.98 60.09 2kku s VAL 130 Cb -0.42 -3.73 0.16 0.00 0.00 0.00 0.00 36.38 32.39 2kku s VAL 130 CO 0.44 -0.85 0.62 -0.81 0.00 0.00 0.00 175.10 174.49 2kku n PRO 131 N 4.18 -1.87 0.05 2.72 -0.04 -1.26 -4.46 135.00 134.31 2kku n PRO 131 Ca 0.03 -0.99 0.14 0.00 -0.04 0.00 0.00 63.50 62.63 2kku n PRO 131 Cb 0.41 -0.86 0.61 0.00 -0.04 0.00 0.00 33.50 33.62 2kku n PRO 131 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2kku h VAL 132 N -2.02 0.87 0.00 0.52 -1.51 -1.99 -0.26 116.25 111.86 2kku h VAL 132 Ca -0.23 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 2kku h VAL 132 Cb 0.68 0.72 0.00 0.00 -2.13 0.00 0.00 31.29 30.56 2kku h VAL 132 CO 0.15 0.03 0.00 0.61 -1.23 0.00 0.00 177.57 177.13 2kku n GLY 133 N -1.57 -1.64 0.00 5.19 0.00 -1.26 -4.82 105.19 101.09 2kku n GLY 133 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2kku n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kku n GLY 134 N 1.07 -2.66 3.80 -0.02 0.00 -0.11 -4.98 105.19 102.28 2kku n GLY 134 Ca 0.05 -1.32 -0.22 0.00 0.00 0.00 0.00 46.02 44.53 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 -3.92 2.55 -0.20 1.61 -1.52 -0.59 -4.85 119.66 112.74 2kku s GLN 135 Ca 0.00 -1.43 -0.10 0.00 -1.95 0.00 0.00 55.36 51.88 2kku s GLN 135 Cb 0.00 -2.33 -0.05 0.00 -0.22 0.00 0.00 33.01 30.41 2kku s GLN 135 CO 0.00 0.09 0.13 0.71 -0.25 0.00 0.00 175.29 175.97 2kku s TYR 136 N -2.37 3.41 -0.22 0.91 2.02 -1.26 -1.26 117.35 118.58 2kku s TYR 136 Ca 0.40 0.33 -0.16 0.00 -0.37 0.00 0.00 57.07 57.27 2kku s TYR 136 Cb -0.04 -2.16 -0.04 0.00 -0.40 0.00 0.00 41.96 39.32 2kku s TYR 136 CO 0.25 0.29 0.39 -1.17 -1.57 0.00 0.00 175.55 173.74 2kku s LEU 137 N 0.35 4.13 0.09 -1.29 0.20 -0.68 -4.92 118.68 116.56 2kku s LEU 137 Ca 0.08 0.46 0.09 0.00 0.69 0.00 0.00 54.13 55.44 2kku s LEU 137 Cb -0.11 -2.49 -0.03 0.00 -0.43 0.00 0.00 46.19 43.13 2kku s LEU 137 CO -0.02 -0.10 -0.22 0.00 -0.29 0.00 0.00 176.35 175.72 2kku s ARG 138 N 1.48 1.30 0.00 1.98 3.03 -1.26 -1.44 118.95 124.04 2kku s ARG 138 Ca 0.18 -1.13 0.13 0.00 2.03 0.00 0.00 55.73 56.93 2kku s ARG 138 Cb -0.15 -1.57 0.76 0.00 -1.03 0.00 0.00 34.95 32.97 2kku s ARG 138 CO 0.08 0.38 1.19 -1.91 -1.13 0.00 0.00 175.30 173.91