#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 0.15 7.83 0.02 -1.98 -2.14 113.55 117.43 2kku h SER 2 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 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 -0.09 0.07 -1.14 0.00 0.00 176.83 175.67 2kku h LYS 3 N 0.00 0.00 0.00 3.45 2.10 -2.00 -3.49 116.57 116.63 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 0.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.60 2kku h LYS 3 CO 0.00 0.09 0.00 -0.89 -2.00 0.00 0.00 179.45 176.65 2kku n ILE 4 N -4.06 0.00 0.00 0.07 2.08 -0.81 -4.95 119.36 111.69 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 0.18 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.07 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 -1.50 0.00 -2.76 1.39 0.24 -0.59 -3.06 118.33 112.05 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 -0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.33 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 1.68 3.36 7.63 0.00 -0.83 -2.29 105.19 114.82 2kku n GLY 6 Ca 0.00 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 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 1.94 -0.06 1.61 0.11 -0.80 -1.41 120.40 119.29 2kku s VAL 7 Ca 0.00 -2.04 0.04 0.00 -2.93 0.00 0.00 61.98 57.05 2kku s VAL 7 Cb 0.00 -1.96 0.00 0.00 -1.53 0.00 0.00 36.38 32.89 2kku s VAL 7 CO 0.00 -0.35 -0.16 0.28 -3.33 0.00 0.00 175.10 171.54 2kku s THR 8 N -2.22 1.38 -0.03 5.04 -1.32 -0.32 -1.61 115.64 116.57 2kku s THR 8 Ca 0.19 -0.66 0.03 0.00 -1.21 0.00 0.00 61.69 60.04 2kku s THR 8 Cb -0.05 -1.21 0.00 0.00 -1.51 0.00 0.00 72.50 69.73 2kku s THR 8 CO 0.08 0.40 -0.12 -0.31 -2.21 0.00 0.00 174.62 172.47 2kku s TYR 9 N 0.28 1.19 -1.18 9.09 2.02 -1.02 -1.90 117.35 125.83 2kku s TYR 9 Ca -0.09 -0.31 -0.11 0.00 -0.37 0.00 0.00 57.07 56.19 2kku s TYR 9 Cb -0.13 -0.83 0.22 0.00 -0.40 0.00 0.00 41.96 40.82 2kku s TYR 9 CO 0.03 -0.12 1.39 -0.35 -1.57 0.00 0.00 175.55 174.94 2kku n PRO 10 N 3.22 3.55 -1.58 -1.71 -0.04 -1.25 -1.94 135.00 135.25 2kku n PRO 10 Ca -0.18 -4.07 -0.43 0.00 -0.04 0.00 0.00 63.50 58.78 2kku n PRO 10 Cb 0.54 -2.83 -0.04 0.00 -0.04 0.00 0.00 33.50 31.14 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 3.56 0.29 0.46 0.52 5.41 -1.26 -4.77 119.36 123.57 2kku n ILE 11 Ca 0.32 -0.46 -0.05 0.00 1.00 0.00 0.00 62.75 63.56 2kku n ILE 11 Cb 0.40 -2.47 0.03 0.00 -0.71 0.00 0.00 39.64 36.89 2kku n ILE 11 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2kku n PRO 12 N 8.72 1.25 -4.15 0.38 -0.04 -1.26 -4.73 135.00 135.18 2kku n PRO 12 Ca 0.32 -0.60 -0.16 0.00 -0.04 0.00 0.00 63.50 63.02 2kku n PRO 12 Cb 0.43 -1.23 -0.12 0.00 -0.04 0.00 0.00 33.50 32.53 2kku n PRO 12 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2kku s LYS 13 N -0.66 0.67 0.38 0.54 -0.14 -1.26 -5.04 119.74 114.23 2kku s LYS 13 Ca 0.11 -0.78 0.27 0.00 -1.36 0.00 0.00 55.97 54.21 2kku s LYS 13 Cb 0.09 -0.57 1.35 0.00 -1.68 0.00 0.00 37.83 37.02 2kku s LYS 13 CO 0.02 0.12 1.81 -0.09 -0.76 0.00 0.00 175.35 176.45 2kku h ARG 14 N 4.60 0.00 0.00 1.68 9.65 -2.01 -3.03 114.38 125.26 2kku h ARG 14 Ca -0.37 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.51 2kku h ARG 14 Cb 1.19 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.77 2kku h ARG 14 CO 0.42 0.00 0.00 1.19 2.80 0.00 0.00 179.97 184.38 2kku n PHE 15 N -2.44 0.00 0.24 2.20 3.72 -1.26 -1.67 117.46 118.24 2kku n PHE 15 Ca -0.01 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.50 2kku n PHE 15 Cb 0.10 0.00 0.57 0.00 -0.94 0.00 0.00 39.48 39.22 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 0.00 0.00 0.00 -1.08 4.05 -1.85 -3.11 114.93 112.94 2kku h MET 16 Ca 0.00 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 2kku h MET 16 Cb 0.00 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.80 2kku h MET 16 CO 0.00 0.18 -0.11 0.38 0.23 0.00 0.00 176.91 177.60 2kku h ASP 17 N 0.00 0.00 -0.92 1.39 2.03 -1.62 -3.09 116.42 114.21 2kku h ASP 17 Ca -0.00 0.00 0.06 0.00 -0.73 0.00 0.00 57.03 56.35 2kku h ASP 17 Cb 0.58 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.02 2kku h ASP 17 CO 0.02 0.11 0.59 0.03 -1.03 0.00 0.00 179.24 178.96 2kku h ARG 18 N 0.00 1.05 -0.16 4.15 2.47 -1.78 0.14 114.38 120.26 2kku h ARG 18 Ca -0.00 -0.06 -0.06 0.00 -1.26 0.00 0.00 59.98 58.60 2kku h ARG 18 Cb 0.20 -0.24 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 2kku h ARG 18 CO 0.01 0.70 -0.17 0.74 0.56 0.00 0.00 179.97 181.81 2kku h PHE 19 N 1.09 0.28 0.00 3.04 -1.00 -1.75 -2.14 116.94 116.46 2kku h PHE 19 Ca 0.39 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 61.13 2kku h PHE 19 Cb 0.12 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 39.60 2kku h PHE 19 CO -0.02 0.43 -0.64 1.19 -1.61 0.00 0.00 178.31 177.66 2kku n PHE 20 N -4.23 0.37 -0.07 -0.55 3.72 -0.43 -3.10 117.46 113.17 2kku n PHE 20 Ca -0.01 0.11 -0.10 0.00 -0.05 0.00 0.00 57.45 57.41 2kku n PHE 20 Cb 0.30 -0.52 -0.07 0.00 -0.94 0.00 0.00 39.48 38.25 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 0.00 -0.00 -1.08 3.11 -0.18 -3.41 116.57 115.01 2kku h LYS 21 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2kku h LYS 21 Cb 0.68 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.91 2kku h LYS 21 CO 0.00 0.56 -0.85 0.36 -2.81 0.00 0.00 179.45 176.70 2kku n LYS 22 N -4.64 0.49 0.00 1.90 2.85 -0.87 -4.99 118.16 112.91 2kku n LYS 22 Ca -0.10 -0.21 0.00 0.00 -1.05 0.00 0.00 58.31 56.95 2kku n LYS 22 Cb 0.33 -1.46 0.00 0.00 -0.65 0.00 0.00 35.03 33.25 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 1.46 1.65 2.83 2.58 0.00 -1.18 -4.83 105.19 107.70 2kku n GLY 23 Ca 0.05 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 2kku n GLY 23 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kku s LYS 24 N 0.00 1.06 0.42 1.61 2.20 -1.26 -2.54 119.74 121.23 2kku s LYS 24 Ca 0.00 -0.93 0.05 0.00 -0.36 0.00 0.00 55.97 54.73 2kku s LYS 24 Cb 0.00 -2.32 0.05 0.00 -1.51 0.00 0.00 37.83 34.05 2kku s LYS 24 CO 0.00 -0.76 0.38 -3.47 -0.36 0.00 0.00 175.35 171.14 2kku n ASP 25 N 4.80 2.16 -3.71 1.43 2.03 0.24 -4.87 116.55 118.64 2kku n ASP 25 Ca -0.07 -2.38 -0.25 0.00 0.52 0.00 0.00 54.79 52.62 2kku n ASP 25 Cb 0.44 -0.10 -0.17 0.00 -0.72 0.00 0.00 41.12 40.57 2kku n ASP 25 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2kku s VAL 26 N -1.99 0.26 -0.43 5.18 1.01 0.59 -0.46 120.40 124.55 2kku s VAL 26 Ca 0.29 -0.15 -0.25 0.00 0.00 0.00 0.00 61.98 61.87 2kku s VAL 26 Cb -0.02 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.71 2kku s VAL 26 CO 0.18 -0.05 0.91 0.12 0.00 0.00 0.00 175.10 176.27 2kku s PHE 27 N 2.00 2.98 -0.14 5.22 5.36 0.35 -2.47 117.98 131.28 2kku s PHE 27 Ca 0.02 0.50 -0.13 0.00 -0.96 0.00 0.00 56.93 56.37 2kku s PHE 27 Cb -0.15 -3.82 -0.05 0.00 -0.34 0.00 0.00 43.02 38.66 2kku s PHE 27 CO -0.07 -0.99 0.28 0.14 -1.46 0.00 0.00 175.22 173.12 2kku s VAL 28 N 3.61 5.31 -0.04 3.12 -7.23 -1.26 -1.00 120.40 122.91 2kku s VAL 28 Ca 0.37 0.51 0.01 0.00 -1.81 0.00 0.00 61.98 61.06 2kku s VAL 28 Cb -0.11 -3.60 0.02 0.00 0.56 0.00 0.00 36.38 33.25 2kku s VAL 28 CO 0.23 0.44 -0.04 -0.75 -0.31 0.00 0.00 175.10 174.67 2kku s LYS 29 N 0.15 0.76 -0.66 4.82 2.47 -0.43 -4.99 119.74 121.86 2kku s LYS 29 Ca 0.16 -0.10 -0.26 0.00 -1.56 0.00 0.00 55.97 54.21 2kku s LYS 29 Cb -0.13 -0.78 -0.09 0.00 -1.46 0.00 0.00 37.83 35.37 2kku s LYS 29 CO 0.04 -0.06 2.33 -1.25 0.16 0.00 0.00 175.35 176.57 2kku s PRO 30 N 0.82 1.95 0.00 4.03 0.04 -1.26 -0.91 135.00 139.68 2kku s PRO 30 Ca -0.11 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.75 2kku s PRO 30 Cb -0.14 -4.69 0.00 0.00 0.04 0.00 0.00 34.50 29.71 2kku s PRO 30 CO 0.00 -3.76 0.50 0.00 0.04 0.00 0.00 177.00 173.79 2kku n ALA 31 N 16.73 0.25 -0.07 8.56 0.00 0.03 -4.70 120.51 141.31 2kku n ALA 31 Ca 0.40 -0.50 -0.10 0.00 0.00 0.00 0.00 53.44 53.24 2kku n ALA 31 Cb 0.49 -0.25 -0.15 0.00 0.00 0.00 0.00 19.45 19.54 2kku n ALA 31 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2kku n THR 32 N 2.26 1.48 -2.21 0.00 -1.04 -1.26 -4.99 114.28 108.53 2kku n THR 32 Ca 0.00 -0.82 -0.39 0.00 -2.04 0.00 0.00 64.05 60.80 2kku n THR 32 Cb 0.25 -0.73 -0.02 0.00 -1.82 0.00 0.00 70.33 68.01 2kku n THR 32 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2kku s VAL 33 N -2.53 2.95 1.03 12.58 1.01 -1.26 -5.00 120.40 129.18 2kku s VAL 33 Ca -0.09 0.85 -0.12 0.00 0.00 0.00 0.00 61.98 62.62 2kku s VAL 33 Cb 0.07 -3.50 0.21 0.00 0.00 0.00 0.00 36.38 33.16 2kku s VAL 33 CO 0.82 0.12 1.08 0.26 0.00 0.00 0.00 175.10 177.38 2kku s TRP 34 N -1.30 1.92 -0.70 5.22 0.52 -1.26 -4.90 118.94 118.43 2kku s TRP 34 Ca 0.55 1.08 0.06 0.00 0.02 0.00 0.00 56.10 57.82 2kku s TRP 34 Cb -0.34 -3.21 0.35 0.00 -1.15 0.00 0.00 33.47 29.12 2kku s TRP 34 CO 0.44 -3.10 1.18 0.36 0.02 0.00 0.00 176.95 175.85 2kku n LYS 35 N -4.34 0.04 0.23 4.98 2.85 -1.26 -2.45 118.16 118.20 2kku n LYS 35 Ca 0.05 0.52 0.16 0.00 -1.05 0.00 0.00 58.31 57.99 2kku n LYS 35 Cb 0.56 -1.67 0.76 0.00 -0.65 0.00 0.00 35.03 34.03 2kku n LYS 35 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 2kku h GLU 36 N 0.00 0.00 -6.12 -1.58 4.39 -1.99 -3.41 114.58 105.87 2kku h GLU 36 Ca 0.00 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.18 2kku h GLU 36 Cb 0.06 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.66 2kku h GLU 36 CO 0.00 0.00 1.25 -1.17 -1.16 0.00 0.00 179.01 177.93 2kku s LEU 37 N -5.31 3.26 0.13 1.33 1.98 -1.03 -5.00 118.68 114.04 2kku s LEU 37 Ca -0.01 0.12 0.06 0.00 -2.89 0.00 0.00 54.13 51.41 2kku s LEU 37 Cb 0.09 -2.59 -0.04 0.00 0.66 0.00 0.00 46.19 44.32 2kku s LEU 37 CO 0.38 -2.17 0.01 -1.59 -1.89 0.00 0.00 176.35 171.09 2kku s LYS 38 N 6.54 2.52 -1.17 1.98 0.00 -1.26 -5.06 119.74 123.30 2kku s LYS 38 Ca 0.57 -0.95 -0.21 0.00 0.00 0.00 0.00 55.97 55.38 2kku s LYS 38 Cb -0.11 -2.48 0.01 0.00 0.00 0.00 0.00 37.83 35.25 2kku s LYS 38 CO 0.19 0.50 1.77 -1.25 0.00 0.00 0.00 175.35 176.57 2kku s PRO 39 N -2.64 3.31 0.00 1.78 0.04 -1.26 -3.76 135.00 132.47 2kku s PRO 39 Ca 0.27 -1.41 0.00 0.00 0.04 0.00 0.00 61.00 59.90 2kku s PRO 39 Cb -0.11 -5.37 0.00 0.00 0.04 0.00 0.00 34.50 29.07 2kku s PRO 39 CO 0.19 -2.90 0.00 0.41 0.04 0.00 0.00 177.00 174.74 2kku n GLY 40 N 5.94 0.00 0.00 0.56 0.00 -0.56 -4.72 105.19 106.42 2kku n GLY 40 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 3.52 -4.44 1.61 2.81 -1.06 -4.93 117.12 114.64 2kku n MET 41 Ca 0.00 0.00 -0.24 0.00 -1.81 0.00 0.00 57.70 55.65 2kku n MET 41 Cb 0.00 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 32.41 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 1.12 1.59 -0.30 0.03 -2.85 -0.97 -0.65 119.74 117.71 2kku s LYS 42 Ca 0.00 -1.69 -0.02 0.00 -1.00 0.00 0.00 55.97 53.25 2kku s LYS 42 Cb 0.00 -1.68 0.10 0.00 -2.06 0.00 0.00 37.83 34.19 2kku s LYS 42 CO 0.00 0.32 0.12 0.12 0.10 0.00 0.00 175.35 176.01 2kku s PHE 43 N -2.42 0.95 -0.15 1.78 2.19 -0.45 -1.90 117.98 117.98 2kku s PHE 43 Ca 0.27 -1.28 -0.26 0.00 0.33 0.00 0.00 56.93 55.99 2kku s PHE 43 Cb -0.05 -1.26 -0.02 0.00 -1.31 0.00 0.00 43.02 40.38 2kku s PHE 43 CO 0.13 -0.85 0.86 0.08 1.83 0.00 0.00 175.22 177.26 2kku s VAL 44 N 1.85 4.88 -0.34 3.12 1.01 -0.63 -0.48 120.40 129.80 2kku s VAL 44 Ca 0.10 1.70 -0.21 0.00 0.00 0.00 0.00 61.98 63.56 2kku s VAL 44 Cb -0.17 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.05 2kku s VAL 44 CO -0.31 0.04 0.68 -0.36 0.00 0.00 0.00 175.10 175.16 2kku s PHE 45 N 1.99 3.16 -0.73 5.22 0.08 0.05 -2.43 117.98 125.33 2kku s PHE 45 Ca 0.40 0.48 -0.13 0.00 0.12 0.00 0.00 56.93 57.80 2kku s PHE 45 Cb -0.17 -3.18 0.19 0.00 -0.57 0.00 0.00 43.02 39.29 2kku s PHE 45 CO 0.14 -0.62 0.66 -0.47 -0.10 0.00 0.00 175.22 174.83 2kku s TYR 46 N 2.81 3.61 -0.78 0.36 5.04 -0.82 -1.63 117.35 125.94 2kku s TYR 46 Ca 0.27 -1.91 -0.26 0.00 -2.44 0.00 0.00 57.07 52.73 2kku s TYR 46 Cb -0.14 -3.74 0.00 0.00 0.35 0.00 0.00 41.96 38.43 2kku s TYR 46 CO 0.15 -0.98 1.62 -1.14 -1.34 0.00 0.00 175.55 173.85 2kku s GLN 47 N 0.49 2.97 -0.49 4.97 0.74 0.10 -3.93 119.66 124.50 2kku s GLN 47 Ca 0.14 -0.14 -0.06 0.00 0.05 0.00 0.00 55.36 55.36 2kku s GLN 47 Cb -0.16 -4.62 -0.08 0.00 1.10 0.00 0.00 33.01 29.25 2kku s GLN 47 CO -0.06 -2.57 3.10 0.45 -0.55 0.00 0.00 175.29 175.67 2kku n SER 48 N 11.20 6.40 -0.55 6.67 2.88 -1.26 -3.67 113.62 135.29 2kku n SER 48 Ca 0.21 -2.83 -0.01 0.00 -1.33 0.00 0.00 58.87 54.90 2kku n SER 48 Cb 0.50 -1.36 -0.01 0.00 -0.75 0.00 0.00 64.21 62.59 2kku n SER 48 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2kku n HIS 49 N 1.92 0.00 0.00 0.66 -0.00 -1.26 -5.04 115.22 111.51 2kku n HIS 49 Ca 0.51 -0.08 0.00 0.00 -0.00 0.00 0.00 57.72 58.15 2kku n HIS 49 Cb 0.63 0.28 0.00 0.00 -0.00 0.00 0.00 29.99 30.91 2kku n HIS 49 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 2kku n GLU 50 N 0.00 0.00 0.00 1.57 2.13 -1.24 -5.14 120.64 117.96 2kku n GLU 50 Ca -0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.77 2kku n GLU 50 Cb 0.50 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.21 2kku n GLU 50 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2kku n ASP 51 N -0.91 0.00 0.08 4.31 2.03 -1.26 -5.00 116.55 115.79 2kku n ASP 51 Ca 0.00 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.09 2kku n ASP 51 Cb 0.00 0.01 -0.13 0.00 -0.72 0.00 0.00 41.12 40.28 2kku n ASP 51 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2kku h THR 52 N 0.00 1.31 0.00 5.18 2.02 -1.94 -3.49 112.91 115.99 2kku h THR 52 Ca 0.00 -2.41 0.00 0.00 0.77 0.00 0.00 66.41 64.77 2kku h THR 52 Cb 0.00 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 2kku h THR 52 CO 0.00 0.73 0.00 0.61 0.37 0.00 0.00 175.52 177.23 2kku n GLY 53 N 1.36 2.18 3.55 2.16 0.00 -1.26 -4.50 105.19 108.69 2kku n GLY 53 Ca -0.13 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 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 1.14 0.14 1.61 0.08 -1.26 0.02 117.98 119.71 2kku s PHE 54 Ca 0.00 1.65 0.00 0.00 0.12 0.00 0.00 56.93 58.71 2kku s PHE 54 Cb 0.00 -3.57 -0.10 0.00 -0.57 0.00 0.00 43.02 38.79 2kku s PHE 54 CO 0.00 -2.17 1.31 -0.24 -0.10 0.00 0.00 175.22 174.02 2kku h VAL 55 N 7.64 1.50 -0.96 -0.44 3.04 -1.63 -3.42 116.25 121.99 2kku h VAL 55 Ca -0.15 -2.76 0.00 0.00 -1.01 0.00 0.00 66.70 62.78 2kku h VAL 55 Cb 1.17 2.59 0.00 0.00 -2.01 0.00 0.00 31.29 33.04 2kku h VAL 55 CO 1.11 0.80 0.00 0.61 -1.01 0.00 0.00 177.57 179.09 2kku n GLY 56 N 1.06 1.10 3.53 3.17 0.00 -1.14 -1.72 105.19 111.20 2kku n GLY 56 Ca -0.05 -0.79 -0.14 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.92 2.00 0.14 1.61 -1.05 -0.13 -0.77 118.70 119.59 2kku s GLU 57 Ca 0.00 -1.76 -0.05 0.00 -0.15 0.00 0.00 54.97 53.02 2kku s GLU 57 Cb 0.00 0.47 0.02 0.00 -0.44 0.00 0.00 34.13 34.18 2kku s GLU 57 CO 0.00 -0.85 0.28 0.00 0.95 0.00 0.00 175.26 175.64 2kku n ALA 58 N -0.58 -0.59 -3.94 -0.84 0.00 0.36 -0.21 120.51 114.71 2kku n ALA 58 Ca -0.00 -0.49 -0.29 0.00 0.00 0.00 0.00 53.44 52.66 2kku n ALA 58 Cb 0.61 0.39 -0.16 0.00 0.00 0.00 0.00 19.45 20.29 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 -2.07 1.72 0.29 0.00 1.81 -0.25 -1.34 118.95 119.11 2kku s ARG 59 Ca 0.06 -0.56 -0.29 0.00 -1.72 0.00 0.00 55.73 53.22 2kku s ARG 59 Cb -0.02 -2.06 -0.10 0.00 -0.45 0.00 0.00 34.95 32.33 2kku s ARG 59 CO 0.05 -0.38 1.35 0.42 -0.68 0.00 0.00 175.30 176.07 2kku s ILE 60 N 1.57 2.75 0.02 1.52 1.01 0.17 -1.64 121.20 126.60 2kku s ILE 60 Ca 0.02 0.69 0.00 0.00 0.00 0.00 0.00 60.65 61.36 2kku s ILE 60 Cb -0.15 -3.44 -0.00 0.00 0.01 0.00 0.00 42.46 38.88 2kku s ILE 60 CO -0.08 0.14 0.02 0.29 0.00 0.00 0.00 174.94 175.30 2kku n LYS 61 N 1.52 0.03 -0.77 2.79 4.76 0.16 -1.49 118.16 125.15 2kku n LYS 61 Ca 0.03 -0.20 -0.34 0.00 -2.87 0.00 0.00 58.31 54.93 2kku n LYS 61 Cb 0.41 0.17 -0.06 0.00 -1.84 0.00 0.00 35.03 33.71 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 -0.04 0.00 -3.34 1.97 1.85 -1.26 -2.67 116.66 113.17 2kku n ARG 62 Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.42 2kku n ARG 62 Cb 0.04 -0.80 -0.09 0.00 -1.05 0.00 0.00 32.46 30.57 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 2.55 5.12 -0.45 8.89 -7.23 -1.26 -2.48 120.40 125.55 2kku s VAL 63 Ca 0.61 -0.52 -0.20 0.00 -1.81 0.00 0.00 61.98 60.05 2kku s VAL 63 Cb -0.80 -4.06 0.03 0.00 0.56 0.00 0.00 36.38 32.11 2kku s VAL 63 CO 0.38 -0.46 0.62 -0.69 -0.31 0.00 0.00 175.10 174.64 2kku s VAL 64 N 2.04 4.85 -0.30 1.32 1.01 -0.25 -4.89 120.40 124.18 2kku s VAL 64 Ca 0.10 -0.03 -0.22 0.00 0.00 0.00 0.00 61.98 61.83 2kku s VAL 64 Cb -0.19 -4.21 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 2kku s VAL 64 CO 0.12 -0.62 0.70 -0.76 0.00 0.00 0.00 175.10 174.54 2kku s LEU 65 N 2.74 4.11 -0.18 3.92 1.43 -1.26 -0.95 118.68 128.49 2kku s LEU 65 Ca 0.20 0.57 -0.14 0.00 -1.03 0.00 0.00 54.13 53.74 2kku s LEU 65 Cb -0.15 -2.94 0.05 0.00 0.03 0.00 0.00 46.19 43.18 2kku s LEU 65 CO 0.17 -0.52 0.46 -0.55 0.23 0.00 0.00 176.35 176.14 2kku s SER 66 N 1.60 -0.53 0.59 2.29 0.15 -0.52 -5.02 113.70 112.25 2kku s SER 66 Ca 0.29 0.97 0.35 0.00 0.70 0.00 0.00 55.95 58.25 2kku s SER 66 Cb -0.15 0.92 1.83 0.00 -1.71 0.00 0.00 66.02 66.91 2kku s SER 66 CO 0.12 -0.18 2.18 -0.33 1.20 0.00 0.00 173.24 176.23 2kku h GLU 67 N 6.13 0.00 -5.62 5.44 5.08 -1.77 -1.43 114.58 122.41 2kku h GLU 67 Ca -0.31 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.45 2kku h GLU 67 Cb 1.18 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.33 2kku h GLU 67 CO 0.24 0.04 0.29 -0.80 -1.00 0.00 0.00 179.01 177.78 2kku s ASN 68 N -5.71 6.68 0.00 1.42 0.01 -1.26 -4.46 114.94 111.62 2kku s ASN 68 Ca -0.03 0.83 0.18 0.00 -0.71 0.00 0.00 52.86 53.13 2kku s ASN 68 Cb 0.12 -2.38 0.83 0.00 0.41 0.00 0.00 41.25 40.24 2kku s ASN 68 CO 0.51 -0.44 1.57 -0.81 -1.51 0.00 0.00 177.10 176.43 2kku n PRO 69 N 5.84 0.10 0.03 -0.60 -0.04 -1.26 -3.45 135.00 135.62 2kku n PRO 69 Ca 0.02 0.16 -0.00 0.00 -0.04 0.00 0.00 63.50 63.64 2kku n PRO 69 Cb 0.48 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.95 -3.28 114.93 113.10 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 0.26 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 2kku h MET 70 CO 0.00 0.31 -0.04 1.96 1.06 0.00 0.00 176.91 180.21 2kku h GLN 71 N 0.00 0.00 0.00 1.72 4.20 -1.97 -1.68 115.11 117.38 2kku h GLN 71 Ca -0.16 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.52 2kku h GLN 71 Cb 1.60 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.38 2kku h GLN 71 CO 0.05 0.04 -0.14 0.74 -0.67 0.00 0.00 178.83 178.84 2kku h PHE 72 N 0.00 0.00 0.00 2.96 0.04 -1.74 -2.43 116.94 115.77 2kku h PHE 72 Ca -0.00 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.54 2kku h PHE 72 Cb 0.44 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.55 2kku h PHE 72 CO 0.00 0.14 -1.54 0.74 -0.60 0.00 0.00 178.31 177.05 2kku h PHE 73 N 0.00 0.00 0.00 -0.55 0.04 -1.46 -0.56 116.94 114.41 2kku h PHE 73 Ca -0.00 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.62 2kku h PHE 73 Cb 0.84 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.97 2kku h PHE 73 CO 0.00 0.78 -0.69 1.05 -0.60 0.00 0.00 178.31 178.85 2kku h GLU 74 N 0.00 0.00 0.00 1.51 4.11 -1.46 -3.19 114.58 115.55 2kku h GLU 74 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.21 2kku h GLU 74 Cb 1.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.04 2kku h GLU 74 CO 0.06 0.69 -0.28 1.15 0.07 0.00 0.00 179.01 180.70 2kku h THR 75 N 0.00 0.00 0.00 -1.06 2.02 -1.53 -3.46 112.91 108.88 2kku h THR 75 Ca -0.01 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 66.25 2kku h THR 75 Cb 1.35 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2kku h THR 75 CO 0.09 0.00 -0.76 0.49 0.37 0.00 0.00 175.52 175.71 2kku n PHE 76 N -4.49 0.00 0.00 3.16 3.72 -0.33 -5.02 117.46 114.50 2kku n PHE 76 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 2kku n PHE 76 Cb 0.14 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.30 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 1.60 2.03 0.04 1.37 0.00 -0.53 -3.22 105.19 106.48 2kku n GLY 77 Ca -0.11 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.10 2kku n GLY 77 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kku n ASP 78 N 5.32 0.58 0.05 1.61 2.03 -1.26 -2.80 116.55 122.07 2kku n ASP 78 Ca 0.00 0.09 -0.05 0.00 0.52 0.00 0.00 54.79 55.35 2kku n ASP 78 Cb 0.00 0.04 0.16 0.00 -0.72 0.00 0.00 41.12 40.61 2kku n ASP 78 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2kku h ARG 79 N 0.00 0.39 -7.03 -0.67 2.47 -1.88 -3.45 114.38 104.21 2kku h ARG 79 Ca 0.00 -0.19 -0.52 0.00 -1.26 0.00 0.00 59.98 58.01 2kku h ARG 79 Cb 0.65 0.00 0.08 0.00 -1.65 0.00 0.00 29.97 29.05 2kku h ARG 79 CO 0.00 0.74 0.50 0.08 0.56 0.00 0.00 179.97 181.85 2kku s VAL 80 N -4.18 2.88 0.47 2.04 1.01 -1.12 -0.30 120.40 121.19 2kku s VAL 80 Ca -0.06 0.63 0.35 0.00 0.00 0.00 0.00 61.98 62.90 2kku s VAL 80 Cb 0.13 -3.31 0.37 0.00 0.00 0.00 0.00 36.38 33.58 2kku s VAL 80 CO 0.80 -0.03 2.19 2.19 0.00 0.00 0.00 175.10 180.24 2kku h PHE 81 N 1.73 0.00 -3.36 5.22 -0.00 -1.79 -3.44 116.94 115.30 2kku h PHE 81 Ca -0.50 0.00 -0.35 0.00 -0.00 0.00 0.00 57.97 57.12 2kku h PHE 81 Cb 1.26 0.00 -0.14 0.00 -0.00 0.00 0.00 35.95 37.07 2kku h PHE 81 CO 0.51 0.04 -0.69 -0.48 -0.00 0.00 0.00 178.31 177.69 2kku s LEU 82 N -6.73 2.40 0.00 2.10 2.34 -1.26 -4.82 118.68 112.72 2kku s LEU 82 Ca -0.03 -1.09 0.05 0.00 0.06 0.00 0.00 54.13 53.12 2kku s LEU 82 Cb 0.13 -0.32 0.05 0.00 -0.56 0.00 0.00 46.19 45.48 2kku s LEU 82 CO 0.51 -0.40 0.40 1.07 -1.06 0.00 0.00 176.35 176.88 2kku n THR 83 N -0.28 0.00 -0.26 5.48 5.66 -1.26 -4.89 114.28 118.72 2kku n THR 83 Ca -0.08 -1.49 0.00 0.00 -3.05 0.00 0.00 64.05 59.43 2kku n THR 83 Cb 0.62 -0.35 0.12 0.00 -1.55 0.00 0.00 70.33 69.17 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 0.75 -0.41 1.09 1.63 -1.97 -1.44 116.57 116.21 2kku h LYS 84 Ca -0.23 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.53 2kku h LYS 84 Cb 0.90 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 32.34 2kku h LYS 84 CO 0.35 0.49 0.26 -0.44 -3.45 0.00 0.00 179.45 176.67 2kku h ASP 85 N 0.77 0.49 -0.30 4.20 3.32 -2.00 -0.48 116.42 122.42 2kku h ASP 85 Ca 0.34 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 2kku h ASP 85 Cb 0.23 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2kku h ASP 85 CO -0.20 0.37 0.17 -0.33 -1.72 0.00 0.00 179.24 177.53 2kku h GLU 86 N 0.56 0.42 -0.13 3.56 3.07 -1.89 -2.85 114.58 117.31 2kku h GLU 86 Ca 0.15 -0.05 0.03 0.00 -0.50 0.00 0.00 59.36 58.99 2kku h GLU 86 Cb -0.04 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 27.76 2kku h GLU 86 CO -0.03 0.35 -0.04 1.25 -1.40 0.00 0.00 179.01 179.15 2kku h LEU 87 N 0.37 -0.13 -0.31 1.33 5.85 -0.84 0.37 115.31 121.95 2kku h LEU 87 Ca 0.11 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 2kku h LEU 87 Cb 0.06 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2kku h LEU 87 CO -0.02 -0.05 0.09 0.07 -0.34 0.00 0.00 178.44 178.19 2kku h LYS 88 N -0.00 0.48 0.00 1.25 5.09 -1.12 -1.16 116.57 121.11 2kku h LYS 88 Ca 0.07 -0.11 -0.07 0.00 0.09 0.00 0.00 60.65 60.62 2kku h LYS 88 Cb 0.10 -0.07 -0.01 0.00 0.10 0.00 0.00 32.23 32.36 2kku h LYS 88 CO -0.14 0.54 -0.34 1.05 -2.09 0.00 0.00 179.45 178.47 2kku h GLU 89 N 0.33 0.00 -0.02 0.07 4.11 -1.40 -1.53 114.58 116.15 2kku h GLU 89 Ca 0.10 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.52 2kku h GLU 89 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2kku h GLU 89 CO -0.00 0.34 -0.04 -0.92 0.07 0.00 0.00 179.01 178.46 2kku h TYR 90 N 0.00 0.07 -0.54 2.06 3.20 -0.66 -1.51 116.97 119.59 2kku h TYR 90 Ca -0.00 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.74 2kku h TYR 90 Cb 0.96 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.20 2kku h TYR 90 CO 0.00 0.63 -0.05 0.52 -1.64 0.00 0.00 178.16 177.62 2kku h MET 91 N -0.51 0.99 -0.42 1.82 2.86 -1.17 -2.64 114.93 115.86 2kku h MET 91 Ca -0.00 -0.34 -0.05 0.00 -2.06 0.00 0.00 59.70 57.25 2kku h MET 91 Cb 0.63 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 2kku h MET 91 CO 0.01 1.02 0.05 0.87 1.06 0.00 0.00 176.91 179.91 2kku h LYS 92 N 0.86 0.66 -0.60 1.72 1.79 -1.35 -2.44 116.57 117.21 2kku h LYS 92 Ca 0.15 -0.14 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 2kku h LYS 92 Cb 0.61 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.13 2kku h LYS 92 CO 0.04 0.64 0.21 1.03 -1.08 0.00 0.00 179.45 180.29 2kku h SER 93 N 0.63 0.83 -0.25 0.86 0.87 -0.95 -3.06 113.55 112.47 2kku h SER 93 Ca 0.14 -0.13 -0.16 0.00 -1.23 0.00 0.00 61.79 60.41 2kku h SER 93 Cb 0.33 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2kku h SER 93 CO 0.01 0.77 -0.47 1.56 -0.53 0.00 0.00 176.83 178.16 2kku h GLN 94 N 0.87 0.76 -0.00 2.24 1.08 -1.11 -2.19 115.11 116.77 2kku h GLN 94 Ca 0.20 -0.49 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 2kku h GLN 94 Cb 0.23 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 2kku h GLN 94 CO -0.01 1.11 -0.02 -0.85 -0.95 0.00 0.00 178.83 178.11 2kku n GLU 95 N -4.12 0.69 -0.03 1.46 -0.00 -0.96 -1.63 120.64 116.05 2kku n GLU 95 Ca -0.05 -0.06 -0.04 0.00 -0.00 0.00 0.00 57.16 57.01 2kku n GLU 95 Cb 0.58 -1.50 -0.03 0.00 -0.00 0.00 0.00 31.44 30.49 2kku n GLU 95 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 2kku n ARG 96 N -1.10 0.16 0.05 3.44 1.85 -1.16 -2.39 116.66 117.50 2kku n ARG 96 Ca 0.18 0.04 -0.22 0.00 -1.00 0.00 0.00 57.85 56.85 2kku n ARG 96 Cb 0.21 -1.12 -0.14 0.00 -1.05 0.00 0.00 32.46 30.35 2kku n ARG 96 CO 0.00 0.00 0.00 -1.49 -0.01 0.00 0.00 177.63 176.13 2kku h TRP 97 N -0.00 0.59 0.00 2.89 -0.00 -1.48 -3.43 115.95 114.52 2kku h TRP 97 Ca -0.14 -0.43 0.00 0.00 -0.00 0.00 0.00 58.89 58.32 2kku h TRP 97 Cb 1.22 -0.02 0.00 0.00 -0.00 0.00 0.00 29.16 30.35 2kku h TRP 97 CO 0.01 1.50 0.00 0.41 -0.00 0.00 0.00 178.44 180.36 2kku n GLY 98 N 1.73 1.88 3.63 1.49 0.00 -0.64 -5.09 105.19 108.19 2kku n GLY 98 Ca -0.21 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 0.16 0.78 1.61 3.00 -0.96 -4.99 118.95 118.54 2kku s ARG 99 Ca 0.00 0.03 -0.10 0.00 -1.00 0.00 0.00 55.73 54.66 2kku s ARG 99 Cb 0.00 0.07 0.08 0.00 0.00 0.00 0.00 34.95 35.10 2kku s ARG 99 CO 0.00 -0.05 1.12 -0.98 0.00 0.00 0.00 175.30 175.39 2kku s ARG 100 N -1.16 1.99 -0.27 5.12 1.70 -1.00 -4.38 118.95 120.95 2kku s ARG 100 Ca 0.07 -0.06 0.12 0.00 -0.47 0.00 0.00 55.73 55.40 2kku s ARG 100 Cb -0.01 -2.03 0.74 0.00 -0.57 0.00 0.00 34.95 33.08 2kku s ARG 100 CO -0.06 -1.49 1.72 0.54 -1.08 0.00 0.00 175.30 174.93 2kku n ARG 101 N -3.18 3.99 0.00 3.89 5.12 -1.26 -5.03 116.66 120.19 2kku n ARG 101 Ca 0.08 -3.09 0.00 0.00 -1.93 0.00 0.00 57.85 52.91 2kku n ARG 101 Cb 0.61 -2.17 0.00 0.00 -1.16 0.00 0.00 32.46 29.74 2kku n ARG 101 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2kku n GLU 102 N 0.05 0.00 -3.65 5.56 4.71 -1.26 -4.40 120.64 121.65 2kku n GLU 102 Ca 0.33 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.46 2kku n GLU 102 Cb 1.23 0.00 -0.07 0.00 -1.01 0.00 0.00 31.44 31.60 2kku n GLU 102 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2kku s SER 103 N -4.00 -0.32 0.08 1.62 0.15 -1.26 -5.10 113.70 104.87 2kku s SER 103 Ca 0.00 0.53 0.00 0.00 0.70 0.00 0.00 55.95 57.18 2kku s SER 103 Cb 0.00 0.97 0.00 0.00 -1.71 0.00 0.00 66.02 65.28 2kku s SER 103 CO 0.00 -0.09 0.00 1.17 1.20 0.00 0.00 173.24 175.52 2kku n LYS 104 N 3.04 0.00 0.00 5.44 3.00 -1.26 -5.13 118.16 123.25 2kku n LYS 104 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.15 2kku n LYS 104 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.60 2kku n LYS 104 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2kku n LYS 105 N -2.69 0.00 -0.15 1.64 4.81 -1.26 -5.20 118.16 115.31 2kku n LYS 105 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2kku n LYS 105 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2kku n LYS 105 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2kku n LYS 106 N 0.00 0.00 -4.29 1.64 0.00 -1.26 -5.18 118.16 109.07 2kku n LYS 106 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.15 2kku n LYS 106 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 34.93 2kku n LYS 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2kku s LYS 107 N 0.74 1.24 -0.27 -1.58 2.47 -1.26 -5.12 119.74 115.96 2kku s LYS 107 Ca 0.00 -1.62 -0.29 0.00 -1.56 0.00 0.00 55.97 52.50 2kku s LYS 107 Cb 0.00 -0.47 -0.01 0.00 -1.46 0.00 0.00 37.83 35.88 2kku s LYS 107 CO 0.00 -0.11 1.48 -1.17 0.16 0.00 0.00 175.35 175.71 2kku s LEU 108 N -3.25 3.85 0.28 5.43 1.98 -1.26 -4.36 118.68 121.34 2kku s LEU 108 Ca 0.27 1.37 0.06 0.00 -2.89 0.00 0.00 54.13 52.93 2kku s LEU 108 Cb 0.06 -3.54 -0.02 0.00 0.66 0.00 0.00 46.19 43.35 2kku s LEU 108 CO 0.07 -1.22 0.39 0.26 -1.89 0.00 0.00 176.35 173.96 2kku s TRP 109 N 4.95 3.31 -0.05 5.38 0.52 -0.54 -0.79 118.94 131.72 2kku s TRP 109 Ca 0.65 -0.10 -0.04 0.00 0.02 0.00 0.00 56.10 56.63 2kku s TRP 109 Cb -0.20 -1.72 0.01 0.00 -1.15 0.00 0.00 33.47 30.41 2kku s TRP 109 CO 0.27 0.28 0.12 0.00 0.02 0.00 0.00 176.95 177.64 2kku s MET 110 N -4.04 0.13 -0.41 4.98 0.23 -0.09 -1.45 119.30 118.65 2kku s MET 110 Ca 0.38 0.18 -0.06 0.00 -1.03 0.00 0.00 55.69 55.16 2kku s MET 110 Cb -0.09 0.04 0.09 0.00 -1.53 0.00 0.00 34.83 33.34 2kku s MET 110 CO 0.30 -0.03 0.23 0.00 -2.03 0.00 0.00 175.02 173.48 2kku s ALA 111 N 0.18 3.21 -0.21 3.16 0.00 -0.12 -1.32 121.76 126.66 2kku s ALA 111 Ca -0.01 -2.28 -0.23 0.00 0.00 0.00 0.00 51.96 49.45 2kku s ALA 111 Cb -0.02 -2.53 -0.02 0.00 0.00 0.00 0.00 23.12 20.56 2kku s ALA 111 CO -0.00 -1.69 0.73 0.42 0.00 0.00 0.00 175.76 175.22 2kku s ILE 112 N 1.31 4.93 -0.02 0.00 1.01 -0.17 -1.09 121.20 127.18 2kku s ILE 112 Ca 0.04 1.38 -0.29 0.00 0.00 0.00 0.00 60.65 61.79 2kku s ILE 112 Cb -0.23 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 2kku s ILE 112 CO -0.01 0.03 0.92 -0.70 0.00 0.00 0.00 174.94 175.19 2kku s GLU 113 N 2.30 4.53 -0.30 2.79 2.12 -1.03 -0.49 118.70 128.61 2kku s GLU 113 Ca 0.32 1.31 0.01 0.00 0.36 0.00 0.00 54.97 56.96 2kku s GLU 113 Cb -0.16 -3.46 0.07 0.00 0.26 0.00 0.00 34.13 30.84 2kku s GLU 113 CO 0.10 -0.04 -0.01 -0.51 -0.54 0.00 0.00 175.26 174.26 2kku s LEU 114 N 1.02 4.00 0.43 2.70 2.01 0.39 0.36 118.68 129.59 2kku s LEU 114 Ca 0.49 -1.52 0.08 0.00 0.01 0.00 0.00 54.13 53.19 2kku s LEU 114 Cb -0.20 -1.65 -0.01 0.00 0.01 0.00 0.00 46.19 44.33 2kku s LEU 114 CO 0.26 -0.28 0.41 -1.83 1.01 0.00 0.00 176.35 175.91 2kku s GLU 115 N 1.14 2.52 -1.47 1.70 -1.05 -0.65 -0.59 118.70 120.30 2kku s GLU 115 Ca -0.03 -1.55 -0.11 0.00 -0.15 0.00 0.00 54.97 53.13 2kku s GLU 115 Cb -0.20 -2.39 0.06 0.00 -0.44 0.00 0.00 34.13 31.15 2kku s GLU 115 CO -0.04 -0.25 0.90 -3.47 0.95 0.00 0.00 175.26 173.35 2kku n ASP 116 N -1.60 -5.23 -4.56 0.83 2.03 -1.05 -1.10 116.55 105.87 2kku n ASP 116 Ca 0.04 -0.59 -0.38 0.00 0.52 0.00 0.00 54.79 54.37 2kku n ASP 116 Cb 0.62 -4.19 -0.03 0.00 -0.72 0.00 0.00 41.12 36.80 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 -3.23 3.27 -0.41 5.18 1.01 -1.11 -4.47 120.40 120.64 2kku s VAL 117 Ca 0.55 0.18 -0.17 0.00 0.00 0.00 0.00 61.98 62.55 2kku s VAL 117 Cb -0.27 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.48 2kku s VAL 117 CO 0.68 -0.60 0.41 -0.75 0.00 0.00 0.00 175.10 174.84 2kku s LYS 118 N 7.19 3.13 0.01 2.72 2.47 0.70 -4.84 119.74 131.12 2kku s LYS 118 Ca 0.77 -0.76 -0.30 0.00 -1.56 0.00 0.00 55.97 54.12 2kku s LYS 118 Cb -0.15 -3.95 -0.07 0.00 -1.46 0.00 0.00 37.83 32.20 2kku s LYS 118 CO 0.24 -0.80 1.70 0.15 0.16 0.00 0.00 175.35 176.80 2kku s LYS 119 N 2.05 4.18 -1.05 4.03 -0.14 -1.26 -0.96 119.74 126.59 2kku s LYS 119 Ca 0.11 2.31 -0.23 0.00 -1.36 0.00 0.00 55.97 56.80 2kku s LYS 119 Cb -0.17 -3.84 0.01 0.00 -1.68 0.00 0.00 37.83 32.15 2kku s LYS 119 CO 0.13 -0.81 1.69 0.71 -0.76 0.00 0.00 175.35 176.31 2kku s TYR 120 N 3.47 2.30 0.38 3.18 2.02 -0.70 -4.76 117.35 123.24 2kku s TYR 120 Ca 0.76 -0.39 0.12 0.00 -0.37 0.00 0.00 57.07 57.18 2kku s TYR 120 Cb -0.37 -4.44 0.76 0.00 -0.40 0.00 0.00 41.96 37.50 2kku s TYR 120 CO 0.32 -1.78 1.86 0.22 -1.57 0.00 0.00 175.55 174.60 2kku h ASP 121 N 9.87 0.06 -3.44 2.29 3.58 -1.92 -3.41 116.42 123.45 2kku h ASP 121 Ca 0.21 -0.02 -0.54 0.00 0.42 0.00 0.00 57.03 57.11 2kku h ASP 121 Cb 0.98 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.98 2kku h ASP 121 CO 1.35 0.36 0.28 -1.59 -2.88 0.00 0.00 179.24 176.77 2kku s LYS 122 N -4.36 4.56 -1.16 0.28 -2.85 -1.26 -5.01 119.74 109.95 2kku s LYS 122 Ca -0.04 1.28 -0.21 0.00 -1.00 0.00 0.00 55.97 56.00 2kku s LYS 122 Cb 0.15 -3.42 0.03 0.00 -2.06 0.00 0.00 37.83 32.53 2kku s LYS 122 CO 0.73 0.09 1.69 -1.25 0.10 0.00 0.00 175.35 176.71 2kku s PRO 123 N 0.54 3.53 0.01 1.78 0.04 -1.26 -4.97 135.00 134.66 2kku s PRO 123 Ca 0.46 -1.45 -0.30 0.00 0.04 0.00 0.00 61.00 59.75 2kku s PRO 123 Cb -0.21 -5.40 -0.05 0.00 0.04 0.00 0.00 34.50 28.88 2kku s PRO 123 CO 0.26 -2.58 1.27 0.42 0.04 0.00 0.00 177.00 176.41 2kku s ILE 124 N 5.94 3.96 0.07 0.56 1.01 -1.26 -5.00 121.20 126.47 2kku s ILE 124 Ca 0.55 1.35 -0.30 0.00 0.00 0.00 0.00 60.65 62.25 2kku s ILE 124 Cb 0.01 -3.87 -0.06 0.00 0.01 0.00 0.00 42.46 38.55 2kku s ILE 124 CO 0.02 0.04 1.18 -1.59 0.00 0.00 0.00 174.94 174.59 2kku s LYS 125 N 1.83 4.45 0.41 2.79 -2.85 -1.26 -4.18 119.74 120.93 2kku s LYS 125 Ca 0.60 1.75 -0.24 0.00 -1.00 0.00 0.00 55.97 57.07 2kku s LYS 125 Cb -0.29 -3.34 -0.08 0.00 -2.06 0.00 0.00 37.83 32.05 2kku s LYS 125 CO 0.26 -0.22 1.14 -1.25 0.10 0.00 0.00 175.35 175.38 2kku s PRO 126 N 0.91 4.01 0.00 1.78 0.04 -1.26 -4.96 135.00 135.51 2kku s PRO 126 Ca 0.57 1.74 0.29 0.00 0.04 0.00 0.00 61.00 63.64 2kku s PRO 126 Cb -0.29 -2.58 1.22 0.00 0.04 0.00 0.00 34.50 32.89 2kku s PRO 126 CO 0.30 -0.33 1.86 1.63 0.04 0.00 0.00 177.00 180.50 2kku n LYS 127 N -0.10 0.47 -3.87 4.56 4.01 -1.26 -4.92 118.16 117.05 2kku n LYS 127 Ca 0.05 -0.13 -0.03 0.00 -0.51 0.00 0.00 58.31 57.69 2kku n LYS 127 Cb 0.48 -1.50 0.02 0.00 -0.51 0.00 0.00 35.03 33.51 2kku n LYS 127 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 2kku s ARG 128 N -2.62 1.34 0.25 1.97 1.70 -1.26 -5.14 118.95 115.18 2kku s ARG 128 Ca 0.25 -0.85 -0.30 0.00 -0.47 0.00 0.00 55.73 54.36 2kku s ARG 128 Cb 0.20 0.38 -0.09 0.00 -0.57 0.00 0.00 34.95 34.87 2kku s ARG 128 CO 0.50 -0.63 1.16 -0.51 -1.08 0.00 0.00 175.30 174.75 2kku s LEU 129 N -3.35 4.50 -0.47 -1.89 2.01 -1.26 -5.04 118.68 113.18 2kku s LEU 129 Ca 0.21 2.30 -0.09 0.00 0.01 0.00 0.00 54.13 56.56 2kku s LEU 129 Cb -0.03 -3.62 0.12 0.00 0.01 0.00 0.00 46.19 42.67 2kku s LEU 129 CO 0.05 -0.28 0.34 -0.69 1.01 0.00 0.00 176.35 176.78 2kku s VAL 130 N -0.72 4.18 1.03 -1.59 1.01 -1.26 -4.98 120.40 118.07 2kku s VAL 130 Ca 0.48 -1.77 -0.12 0.00 0.00 0.00 0.00 61.98 60.57 2kku s VAL 130 Cb -0.33 -3.75 0.20 0.00 0.00 0.00 0.00 36.38 32.50 2kku s VAL 130 CO 0.41 -0.76 1.08 -2.16 0.00 0.00 0.00 175.10 173.67 2kku s PRO 131 N 1.36 0.20 0.66 2.72 0.04 -1.26 -4.64 135.00 134.08 2kku s PRO 131 Ca 0.06 0.59 0.42 0.00 0.04 0.00 0.00 61.00 62.10 2kku s PRO 131 Cb -0.26 -1.70 2.31 0.00 0.04 0.00 0.00 34.50 34.88 2kku s PRO 131 CO -0.01 -2.91 2.32 -0.39 0.04 0.00 0.00 177.00 176.06 2kku h VAL 132 N -2.02 0.05 0.00 -0.36 -1.51 -2.00 0.20 116.25 110.60 2kku h VAL 132 Ca -0.56 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 64.89 2kku h VAL 132 Cb 1.33 0.96 -0.00 0.00 -2.13 0.00 0.00 31.29 31.45 2kku h VAL 132 CO 0.56 0.00 -0.09 1.23 -1.23 0.00 0.00 177.57 178.04 2kku h GLY 133 N 0.00 0.00 0.00 5.19 0.00 -1.94 -3.45 103.07 102.86 2kku h GLY 133 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kku h GLY 133 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2kku n GLY 134 N -0.07 -0.64 3.68 4.60 0.00 0.06 -4.95 105.19 107.86 2kku n GLY 134 Ca -0.00 -1.46 -0.31 0.00 0.00 0.00 0.00 46.02 44.26 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 -4.39 2.58 -0.26 1.61 -1.52 -0.80 -4.88 119.66 112.00 2kku s GLN 135 Ca 0.00 -0.79 -0.18 0.00 -1.95 0.00 0.00 55.36 52.44 2kku s GLN 135 Cb 0.00 -2.55 -0.03 0.00 -0.22 0.00 0.00 33.01 30.21 2kku s GLN 135 CO 0.00 0.56 0.52 0.71 -0.25 0.00 0.00 175.29 176.83 2kku s TYR 136 N -1.24 3.28 -0.19 0.91 2.02 -1.26 -1.17 117.35 119.69 2kku s TYR 136 Ca 0.24 0.65 -0.24 0.00 -0.37 0.00 0.00 57.07 57.34 2kku s TYR 136 Cb -0.12 -2.72 -0.01 0.00 -0.40 0.00 0.00 41.96 38.71 2kku s TYR 136 CO 0.16 -0.27 0.80 -1.17 -1.57 0.00 0.00 175.55 173.50 2kku s LEU 137 N 2.25 4.15 -0.04 -1.29 0.20 -0.50 -4.95 118.68 118.50 2kku s LEU 137 Ca 0.21 1.09 0.01 0.00 0.69 0.00 0.00 54.13 56.14 2kku s LEU 137 Cb -0.16 -3.17 0.02 0.00 -0.43 0.00 0.00 46.19 42.45 2kku s LEU 137 CO 0.09 -0.40 -0.03 0.00 -0.29 0.00 0.00 176.35 175.72 2kku s ARG 138 N 2.24 0.68 0.00 1.98 3.03 -1.26 -1.54 118.95 124.08 2kku s ARG 138 Ca 0.36 -0.06 0.00 0.00 2.03 0.00 0.00 55.73 58.06 2kku s ARG 138 Cb -0.16 -0.72 0.00 0.00 -1.03 0.00 0.00 34.95 33.03 2kku s ARG 138 CO 0.11 -0.09 0.00 -1.91 -1.13 0.00 0.00 175.30 172.28