#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 0.23 6.12 0.02 -1.97 -2.27 113.55 115.69 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 0.00 0.07 -1.14 0.00 0.00 176.83 175.76 2kku h LYS 3 N 0.00 0.00 0.00 3.45 2.10 -1.99 -3.49 116.57 116.65 2kku h LYS 3 Ca 0.07 0.00 0.08 0.00 -2.00 0.00 0.00 60.65 58.80 2kku h LYS 3 Cb 0.83 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.14 2kku h LYS 3 CO -0.00 0.00 -0.10 -0.89 -2.00 0.00 0.00 179.45 176.46 2kku n ILE 4 N -2.91 0.00 0.00 0.07 2.08 -0.85 -4.94 119.36 112.81 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 0.12 -0.09 0.00 0.00 -0.75 0.00 0.00 39.64 38.91 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 -2.13 0.00 -2.56 1.39 0.24 -0.77 -2.90 118.33 111.60 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 0.13 -0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.38 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 -0.16 1.87 3.09 7.63 0.00 -0.70 -1.38 105.19 115.53 2kku n GLY 6 Ca 0.00 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.53 1.03 -0.14 1.61 0.11 -0.71 -1.50 120.40 118.26 2kku s VAL 7 Ca 0.00 -0.55 -0.04 0.00 -2.93 0.00 0.00 61.98 58.46 2kku s VAL 7 Cb 0.00 -0.86 -0.03 0.00 -1.53 0.00 0.00 36.38 33.96 2kku s VAL 7 CO 0.00 0.29 -0.02 0.28 -3.33 0.00 0.00 175.10 172.33 2kku s THR 8 N -0.28 4.11 0.01 5.04 -1.32 -0.20 -2.05 115.64 120.94 2kku s THR 8 Ca 0.05 -0.29 0.05 0.00 -1.21 0.00 0.00 61.69 60.29 2kku s THR 8 Cb -0.05 -2.79 -0.02 0.00 -1.51 0.00 0.00 72.50 68.13 2kku s THR 8 CO -0.00 0.51 -0.16 -0.31 -2.21 0.00 0.00 174.62 172.45 2kku s TYR 9 N 0.07 1.46 -0.09 9.09 2.02 -0.84 -1.71 117.35 127.34 2kku s TYR 9 Ca 0.01 -0.30 0.30 0.00 -0.37 0.00 0.00 57.07 56.71 2kku s TYR 9 Cb -0.13 -0.91 1.04 0.00 -0.40 0.00 0.00 41.96 41.56 2kku s TYR 9 CO 0.02 0.01 1.86 -1.00 -1.57 0.00 0.00 175.55 174.87 2kku h PRO 10 N 5.43 0.00 -5.48 -1.71 0.13 -1.78 -0.17 132.00 128.42 2kku h PRO 10 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2kku h PRO 10 Cb 1.16 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 2kku h PRO 10 CO 0.47 0.00 -1.04 -0.89 -0.23 0.00 0.00 178.00 176.31 2kku n ILE 11 N -3.06 -9.07 1.04 -3.56 2.08 -1.26 -4.05 119.36 101.47 2kku n ILE 11 Ca 0.02 1.59 0.00 0.00 0.56 0.00 0.00 62.75 64.91 2kku n ILE 11 Cb 0.37 -5.62 0.00 0.00 -0.75 0.00 0.00 39.64 33.65 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 1.19 0.80 -4.32 0.38 -0.04 -1.26 -4.77 135.00 126.98 2kku n PRO 12 Ca -0.08 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.15 2kku n PRO 12 Cb 0.24 -1.28 -0.12 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.30 1.24 0.10 0.54 -0.14 -1.26 -5.03 119.74 113.89 2kku s LYS 13 Ca 0.00 -1.33 0.17 0.00 -1.36 0.00 0.00 55.97 53.45 2kku s LYS 13 Cb 0.00 -1.38 0.74 0.00 -1.68 0.00 0.00 37.83 35.51 2kku s LYS 13 CO 0.00 0.30 1.54 -2.13 -0.76 0.00 0.00 175.35 174.30 2kku n ARG 14 N 0.57 0.08 -0.06 1.68 0.00 -1.26 -3.35 116.66 114.30 2kku n ARG 14 Ca -0.15 0.33 -0.00 0.00 -0.00 0.00 0.00 57.85 58.03 2kku n ARG 14 Cb 0.56 -1.65 0.02 0.00 0.00 0.00 0.00 32.46 31.39 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 -1.79 0.15 -0.22 -0.14 3.72 -1.26 -3.62 117.46 114.30 2kku n PHE 15 Ca 0.03 -0.17 -0.08 0.00 -0.05 0.00 0.00 57.45 57.17 2kku n PHE 15 Cb 0.18 -0.17 0.03 0.00 -0.94 0.00 0.00 39.48 38.59 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 0.22 1.01 0.00 -1.08 1.85 -1.90 -3.19 114.93 111.83 2kku h MET 16 Ca 0.01 -0.25 0.00 0.00 -0.61 0.00 0.00 59.70 58.85 2kku h MET 16 Cb 0.72 -0.13 0.00 0.00 0.43 0.00 0.00 31.60 32.62 2kku h MET 16 CO 0.04 0.93 0.00 -0.44 -0.40 0.00 0.00 176.91 177.04 2kku h ASP 17 N 0.93 0.00 -0.55 1.39 5.19 -1.90 -3.15 116.42 118.33 2kku h ASP 17 Ca 0.19 0.00 0.11 0.00 -0.62 0.00 0.00 57.03 56.71 2kku h ASP 17 Cb 0.38 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 39.78 2kku h ASP 17 CO 0.01 0.00 -0.22 0.03 -3.12 0.00 0.00 179.24 175.93 2kku h ARG 18 N 0.00 -0.08 -0.03 3.56 2.47 -1.84 0.29 114.38 118.74 2kku h ARG 18 Ca 0.00 0.01 -0.10 0.00 -1.26 0.00 0.00 59.98 58.62 2kku h ARG 18 Cb 0.23 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.55 2kku h ARG 18 CO 0.00 -0.06 -0.46 0.74 0.56 0.00 0.00 179.97 180.75 2kku h PHE 19 N -0.09 0.09 0.00 3.04 -1.00 -1.78 -2.46 116.94 114.74 2kku h PHE 19 Ca 0.25 -0.02 -0.11 0.00 2.81 0.00 0.00 57.97 60.90 2kku h PHE 19 Cb 0.48 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 40.01 2kku h PHE 19 CO -0.53 0.52 -0.85 0.74 -1.61 0.00 0.00 178.31 176.58 2kku h PHE 20 N 0.06 0.00 -0.04 -0.55 0.04 -1.57 -1.63 116.94 113.25 2kku h PHE 20 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 2kku h PHE 20 Cb 0.84 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.99 2kku h PHE 20 CO 0.00 0.47 -0.02 -0.22 -0.60 0.00 0.00 178.31 177.94 2kku h LYS 21 N 0.00 0.09 0.00 1.51 3.11 0.03 -3.35 116.57 117.96 2kku h LYS 21 Ca -0.06 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.74 2kku h LYS 21 Cb 1.41 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.64 2kku h LYS 21 CO 0.05 0.48 -1.29 0.36 -2.81 0.00 0.00 179.45 176.24 2kku n LYS 22 N -4.82 1.16 -0.34 1.90 2.85 -1.09 -5.01 118.16 112.81 2kku n LYS 22 Ca -0.07 -0.08 0.00 0.00 -1.05 0.00 0.00 58.31 57.10 2kku n LYS 22 Cb 0.24 -1.26 0.00 0.00 -0.65 0.00 0.00 35.03 33.36 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 1.58 1.98 3.17 2.58 0.00 -0.61 -4.94 105.19 108.94 2kku n GLY 23 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2kku n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kku s LYS 24 N -0.12 0.51 0.06 1.61 -2.85 -1.25 -2.53 119.74 115.17 2kku s LYS 24 Ca 0.00 0.97 0.01 0.00 -1.00 0.00 0.00 55.97 55.95 2kku s LYS 24 Cb 0.00 0.37 -0.00 0.00 -2.06 0.00 0.00 37.83 36.14 2kku s LYS 24 CO 0.00 -0.56 0.04 -3.47 0.10 0.00 0.00 175.35 171.46 2kku n ASP 25 N 5.42 0.28 -3.84 0.03 2.03 -0.44 -4.97 116.55 115.05 2kku n ASP 25 Ca -0.03 -1.35 -0.22 0.00 0.52 0.00 0.00 54.79 53.71 2kku n ASP 25 Cb 0.50 0.23 -0.17 0.00 -0.72 0.00 0.00 41.12 40.97 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 -2.06 0.51 -0.32 5.18 1.01 0.67 -0.52 120.40 124.87 2kku s VAL 26 Ca 0.05 -0.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.85 2kku s VAL 26 Cb 0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 2kku s VAL 26 CO 0.04 0.25 0.37 0.12 0.00 0.00 0.00 175.10 175.88 2kku s PHE 27 N 1.43 3.22 0.20 5.22 5.36 -0.03 -1.18 117.98 132.20 2kku s PHE 27 Ca -0.03 0.10 -0.14 0.00 -0.96 0.00 0.00 56.93 55.91 2kku s PHE 27 Cb -0.13 -2.66 -0.07 0.00 -0.34 0.00 0.00 43.02 39.82 2kku s PHE 27 CO -0.03 -0.38 0.59 0.14 -1.46 0.00 0.00 175.22 174.08 2kku s VAL 28 N 2.05 4.82 -0.14 3.12 -7.23 -1.26 -0.73 120.40 121.03 2kku s VAL 28 Ca 0.13 0.80 -0.02 0.00 -1.81 0.00 0.00 61.98 61.08 2kku s VAL 28 Cb -0.16 -3.70 0.05 0.00 0.56 0.00 0.00 36.38 33.12 2kku s VAL 28 CO 0.11 0.10 0.02 -0.75 -0.31 0.00 0.00 175.10 174.27 2kku s LYS 29 N -2.31 0.69 -0.88 4.82 2.47 0.12 -4.97 119.74 119.68 2kku s LYS 29 Ca 0.43 -0.22 -0.16 0.00 -1.56 0.00 0.00 55.97 54.46 2kku s LYS 29 Cb -0.14 -1.67 -0.11 0.00 -1.46 0.00 0.00 37.83 34.46 2kku s LYS 29 CO 0.20 -0.50 2.02 -0.35 0.16 0.00 0.00 175.35 176.88 2kku n PRO 30 N 5.08 1.81 -3.32 4.03 -0.04 -1.26 -1.79 135.00 139.51 2kku n PRO 30 Ca -0.08 -1.77 -0.26 0.00 -0.04 0.00 0.00 63.50 61.34 2kku n PRO 30 Cb 0.48 -2.79 0.02 0.00 -0.04 0.00 0.00 33.50 31.18 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 6.26 -2.58 0.06 0.55 0.00 -1.25 -4.98 120.51 118.58 2kku n ALA 31 Ca 0.48 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.44 2kku n ALA 31 Cb 0.31 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.24 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 -0.56 0.72 -2.09 0.00 -1.04 -1.26 -5.06 114.28 105.00 2kku n THR 32 Ca -0.04 0.24 -0.41 0.00 -2.04 0.00 0.00 64.05 61.79 2kku n THR 32 Cb 0.61 -1.28 -0.03 0.00 -1.82 0.00 0.00 70.33 67.81 2kku n THR 32 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2kku s VAL 33 N -2.00 2.89 0.00 12.58 -7.23 -1.26 -5.04 120.40 120.34 2kku s VAL 33 Ca 0.00 0.72 0.00 0.00 -1.81 0.00 0.00 61.98 60.89 2kku s VAL 33 Cb 0.00 -3.46 0.00 0.00 0.56 0.00 0.00 36.38 33.48 2kku s VAL 33 CO 0.00 0.10 0.00 1.87 -0.31 0.00 0.00 175.10 176.76 2kku n TRP 34 N 2.74 0.00 0.99 2.82 -0.00 -1.26 -4.94 117.44 117.79 2kku n TRP 34 Ca 0.08 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.66 2kku n TRP 34 Cb 0.41 0.00 0.48 0.00 -0.00 0.00 0.00 31.31 32.20 2kku n TRP 34 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.69 178.05 2kku n LYS 35 N 0.00 0.45 0.20 5.87 2.85 -1.26 -2.74 118.16 123.52 2kku n LYS 35 Ca 0.00 0.04 0.04 0.00 -1.05 0.00 0.00 58.31 57.34 2kku n LYS 35 Cb 0.00 -1.50 0.41 0.00 -0.65 0.00 0.00 35.03 33.29 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 -6.27 -1.58 3.07 -2.03 -3.43 114.58 104.35 2kku h GLU 36 Ca 0.00 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.31 2kku h GLU 36 Cb 0.05 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 2kku h GLU 36 CO 0.00 0.33 1.10 -0.51 -1.40 0.00 0.00 179.01 178.54 2kku s LEU 37 N -7.97 4.29 0.06 1.33 2.01 -1.11 -5.01 118.68 112.29 2kku s LEU 37 Ca -0.03 2.23 -0.06 0.00 0.01 0.00 0.00 54.13 56.28 2kku s LEU 37 Cb 0.14 -3.53 -0.01 0.00 0.01 0.00 0.00 46.19 42.79 2kku s LEU 37 CO 0.70 -0.97 0.11 -1.59 1.01 0.00 0.00 176.35 175.62 2kku s LYS 38 N 4.13 0.68 -0.97 1.70 0.00 -1.26 -5.08 119.74 118.94 2kku s LYS 38 Ca 0.75 -0.90 -0.24 0.00 0.00 0.00 0.00 55.97 55.58 2kku s LYS 38 Cb -0.33 0.27 -0.02 0.00 0.00 0.00 0.00 37.83 37.74 2kku s LYS 38 CO 0.30 -0.18 1.80 -1.25 0.00 0.00 0.00 175.35 176.02 2kku s PRO 39 N -3.26 2.88 0.00 1.78 0.04 -1.26 -3.67 135.00 131.52 2kku s PRO 39 Ca 0.01 -0.65 0.00 0.00 0.04 0.00 0.00 61.00 60.39 2kku s PRO 39 Cb 0.03 -5.18 0.00 0.00 0.04 0.00 0.00 34.50 29.39 2kku s PRO 39 CO -0.08 -3.07 0.00 0.41 0.04 0.00 0.00 177.00 174.30 2kku n GLY 40 N 6.73 0.00 0.00 0.56 0.00 -0.45 -4.86 105.19 107.16 2kku n GLY 40 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 2.19 -4.48 1.61 2.81 -1.04 -4.97 117.12 113.24 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 -1.63 1.69 -0.33 0.03 -2.85 -0.48 -0.92 119.74 115.25 2kku s LYS 42 Ca 0.00 -1.82 -0.01 0.00 -1.00 0.00 0.00 55.97 53.14 2kku s LYS 42 Cb 0.00 -1.63 0.11 0.00 -2.06 0.00 0.00 37.83 34.25 2kku s LYS 42 CO 0.00 0.22 0.14 0.12 0.10 0.00 0.00 175.35 175.93 2kku s PHE 43 N -2.63 1.26 -0.25 1.78 2.19 -0.43 -1.74 117.98 118.16 2kku s PHE 43 Ca 0.30 -1.61 -0.26 0.00 0.33 0.00 0.00 56.93 55.69 2kku s PHE 43 Cb -0.01 -1.42 0.00 0.00 -1.31 0.00 0.00 43.02 40.28 2kku s PHE 43 CO 0.14 -0.85 0.91 0.08 1.83 0.00 0.00 175.22 177.34 2kku s VAL 44 N 1.48 4.76 -0.75 3.12 1.01 -0.87 -0.67 120.40 128.48 2kku s VAL 44 Ca 0.12 1.71 -0.27 0.00 0.00 0.00 0.00 61.98 63.54 2kku s VAL 44 Cb -0.19 -4.20 0.03 0.00 0.00 0.00 0.00 36.38 32.02 2kku s VAL 44 CO -0.21 -0.14 1.27 -0.36 0.00 0.00 0.00 175.10 175.67 2kku s PHE 45 N 3.01 2.30 0.75 5.22 0.08 0.09 -1.99 117.98 127.44 2kku s PHE 45 Ca 0.38 -0.10 -0.11 0.00 0.12 0.00 0.00 56.93 57.22 2kku s PHE 45 Cb -0.15 -4.62 0.04 0.00 -0.57 0.00 0.00 43.02 37.72 2kku s PHE 45 CO 0.08 -2.06 1.08 -0.47 -0.10 0.00 0.00 175.22 173.75 2kku s TYR 46 N 5.65 3.01 -0.27 0.36 5.04 -0.08 -0.88 117.35 130.18 2kku s TYR 46 Ca 0.35 1.22 -0.03 0.00 -2.44 0.00 0.00 57.07 56.17 2kku s TYR 46 Cb -0.08 -3.03 0.09 0.00 0.35 0.00 0.00 41.96 39.29 2kku s TYR 46 CO 0.14 -1.50 0.10 -1.14 -1.34 0.00 0.00 175.55 171.81 2kku s GLN 47 N -5.15 0.45 -0.84 4.97 0.74 -1.26 -4.23 119.66 114.34 2kku s GLN 47 Ca 0.59 -0.66 -0.04 0.00 0.05 0.00 0.00 55.36 55.31 2kku s GLN 47 Cb -0.14 -1.70 0.13 0.00 1.10 0.00 0.00 33.01 32.40 2kku s GLN 47 CO 0.54 -0.90 2.50 -1.13 -0.55 0.00 0.00 175.29 175.75 2kku n SER 48 N 5.07 7.19 -3.15 6.67 3.41 -1.26 -3.60 113.62 127.96 2kku n SER 48 Ca -0.05 -3.27 0.04 0.00 -0.26 0.00 0.00 58.87 55.32 2kku n SER 48 Cb 0.44 -1.26 -0.01 0.00 -0.26 0.00 0.00 64.21 63.12 2kku n SER 48 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2kku s HIS 49 N -1.92 -1.54 0.00 7.33 5.65 -1.26 -5.04 115.29 118.51 2kku s HIS 49 Ca 0.55 1.42 0.00 0.00 0.25 0.00 0.00 55.06 57.28 2kku s HIS 49 Cb 0.30 0.46 0.00 0.00 -1.18 0.00 0.00 32.58 32.16 2kku s HIS 49 CO -0.19 -0.86 0.00 0.39 -0.65 0.00 0.00 174.74 173.44 2kku n GLU 50 N 5.42 0.00 -1.96 2.88 1.02 -1.26 -4.83 120.64 121.91 2kku n GLU 50 Ca 0.00 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.75 2kku n GLU 50 Cb 0.52 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.95 2kku n GLU 50 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2kku s ASP 51 N 0.00 5.91 0.19 1.62 2.15 -1.26 -4.96 116.67 120.33 2kku s ASP 51 Ca 0.00 2.68 -0.11 0.00 0.43 0.00 0.00 52.55 55.55 2kku s ASP 51 Cb 0.00 -2.63 0.18 0.00 -0.30 0.00 0.00 42.92 40.17 2kku s ASP 51 CO 0.00 -1.13 1.79 0.71 -0.17 0.00 0.00 175.17 176.38 2kku h THR 52 N 2.06 0.95 0.00 1.71 1.35 -1.88 -3.42 112.91 113.68 2kku h THR 52 Ca -0.50 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 2kku h THR 52 Cb 1.27 0.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 2kku h THR 52 CO 0.60 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 176.59 2kku n GLY 53 N -1.27 0.50 3.25 5.82 0.00 -1.24 -4.66 105.19 107.60 2kku n GLY 53 Ca 0.06 -1.81 -0.09 0.00 0.00 0.00 0.00 46.02 44.18 2kku n GLY 53 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2kku n PHE 54 N 5.24 -2.66 0.52 1.61 3.01 -1.25 -4.51 117.46 119.42 2kku n PHE 54 Ca 0.00 0.97 0.12 0.00 1.01 0.00 0.00 57.45 59.55 2kku n PHE 54 Cb 0.00 -3.89 0.17 0.00 -0.01 0.00 0.00 39.48 35.75 2kku n PHE 54 CO 0.00 0.00 0.00 -0.24 1.01 0.00 0.00 176.76 177.53 2kku h VAL 55 N -0.20 0.00 -1.17 -4.37 3.04 -1.30 -3.44 116.25 108.81 2kku h VAL 55 Ca -0.27 -0.55 0.05 0.00 -1.01 0.00 0.00 66.70 64.91 2kku h VAL 55 Cb 1.15 1.17 -0.01 0.00 -2.01 0.00 0.00 31.29 31.59 2kku h VAL 55 CO 0.36 0.00 0.11 0.61 -1.01 0.00 0.00 177.57 177.64 2kku n GLY 56 N 1.31 0.44 3.48 3.17 0.00 -1.04 -1.98 105.19 110.57 2kku n GLY 56 Ca 0.03 -0.84 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.00 1.92 0.04 1.61 -1.05 -0.17 -0.73 118.70 118.32 2kku s GLU 57 Ca 0.04 -1.79 -0.01 0.00 -0.15 0.00 0.00 54.97 53.05 2kku s GLU 57 Cb -0.00 0.44 0.01 0.00 -0.44 0.00 0.00 34.13 34.13 2kku s GLU 57 CO -0.00 -0.79 0.08 0.00 0.95 0.00 0.00 175.26 175.50 2kku n ALA 58 N -0.58 -0.18 -3.90 -0.84 0.00 0.15 -0.59 120.51 114.58 2kku n ALA 58 Ca 0.01 -0.15 -0.27 0.00 0.00 0.00 0.00 53.44 53.03 2kku n ALA 58 Cb 0.61 0.12 -0.17 0.00 0.00 0.00 0.00 19.45 20.02 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 -2.02 1.48 0.15 0.00 1.81 0.09 -1.32 118.95 119.14 2kku s ARG 59 Ca 0.02 -0.30 -0.30 0.00 -1.72 0.00 0.00 55.73 53.42 2kku s ARG 59 Cb -0.00 -1.67 -0.08 0.00 -0.45 0.00 0.00 34.95 32.75 2kku s ARG 59 CO 0.01 -0.31 1.24 0.42 -0.68 0.00 0.00 175.30 175.99 2kku s ILE 60 N 1.70 3.59 0.29 1.52 1.01 -0.09 -1.56 121.20 127.66 2kku s ILE 60 Ca 0.04 1.25 0.04 0.00 0.00 0.00 0.00 60.65 61.98 2kku s ILE 60 Cb -0.13 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.52 2kku s ILE 60 CO -0.08 0.16 0.14 0.29 0.00 0.00 0.00 174.94 175.45 2kku n LYS 61 N 3.03 0.57 -0.61 2.79 4.76 0.86 -1.34 118.16 128.23 2kku n LYS 61 Ca 0.07 -2.54 -0.27 0.00 -2.87 0.00 0.00 58.31 52.70 2kku n LYS 61 Cb 0.44 1.57 -0.05 0.00 -1.84 0.00 0.00 35.03 35.15 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 -0.62 0.00 -3.35 1.97 1.85 -1.26 -2.74 116.66 112.51 2kku n ARG 62 Ca -0.02 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.43 2kku n ARG 62 Cb 0.45 -0.63 -0.09 0.00 -1.05 0.00 0.00 32.46 31.14 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 2.04 5.13 -0.47 8.89 -7.23 -1.26 -2.87 120.40 124.63 2kku s VAL 63 Ca 0.48 0.38 -0.22 0.00 -1.81 0.00 0.00 61.98 60.82 2kku s VAL 63 Cb -0.63 -3.80 0.03 0.00 0.56 0.00 0.00 36.38 32.54 2kku s VAL 63 CO 0.30 -0.01 0.74 -0.69 -0.31 0.00 0.00 175.10 175.13 2kku s VAL 64 N 2.15 4.70 -0.32 1.32 1.01 -0.40 -4.87 120.40 124.00 2kku s VAL 64 Ca 0.15 0.15 -0.23 0.00 0.00 0.00 0.00 61.98 62.05 2kku s VAL 64 Cb -0.16 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.91 2kku s VAL 64 CO 0.11 -0.75 0.77 -0.76 0.00 0.00 0.00 175.10 174.47 2kku s LEU 65 N 3.13 4.10 -0.12 3.92 1.43 -1.26 -1.09 118.68 128.79 2kku s LEU 65 Ca 0.25 0.58 -0.10 0.00 -1.03 0.00 0.00 54.13 53.84 2kku s LEU 65 Cb -0.14 -3.04 0.04 0.00 0.03 0.00 0.00 46.19 43.08 2kku s LEU 65 CO 0.19 -0.62 0.31 -0.44 0.23 0.00 0.00 176.35 176.03 2kku s SER 66 N 1.66 -0.34 0.29 2.29 0.01 -0.59 -5.03 113.70 111.98 2kku s SER 66 Ca 0.31 0.65 0.02 0.00 1.31 0.00 0.00 55.95 58.24 2kku s SER 66 Cb -0.14 0.62 0.44 0.00 0.21 0.00 0.00 66.02 67.15 2kku s SER 66 CO 0.13 -0.13 1.75 -0.33 0.41 0.00 0.00 173.24 175.07 2kku h GLU 67 N 6.10 0.52 -5.68 12.44 5.08 -1.80 -1.51 114.58 129.74 2kku h GLU 67 Ca -0.30 -0.17 -0.59 0.00 -1.00 0.00 0.00 59.36 57.29 2kku h GLU 67 Cb 1.18 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 30.30 2kku h GLU 67 CO 0.32 0.68 0.12 -0.80 -1.00 0.00 0.00 179.01 178.33 2kku s ASN 68 N -6.78 6.70 0.59 1.42 0.01 -1.26 -4.09 114.94 111.53 2kku s ASN 68 Ca -0.07 0.85 0.36 0.00 -0.71 0.00 0.00 52.86 53.29 2kku s ASN 68 Cb 0.14 -2.35 1.81 0.00 0.41 0.00 0.00 41.25 41.26 2kku s ASN 68 CO 0.79 -0.26 2.16 1.55 -1.51 0.00 0.00 177.10 179.83 2kku h PRO 69 N 7.44 0.00 0.00 -0.60 0.13 -1.90 -2.97 132.00 134.10 2kku h PRO 69 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2kku h PRO 69 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2kku h PRO 69 CO 0.77 0.03 0.00 0.52 -0.23 0.00 0.00 178.00 179.09 2kku h MET 70 N 0.00 0.00 -0.24 0.86 2.86 -1.95 -2.52 114.93 113.95 2kku h MET 70 Ca -0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2kku h MET 70 Cb 0.27 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 2kku h MET 70 CO 0.00 0.00 0.13 1.96 1.06 0.00 0.00 176.91 180.07 2kku h GLN 71 N 0.00 0.32 0.00 1.72 1.08 -1.93 -1.60 115.11 114.70 2kku h GLN 71 Ca 0.00 -0.02 -0.13 0.00 -1.45 0.00 0.00 58.65 57.04 2kku h GLN 71 Cb 0.68 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.02 2kku h GLN 71 CO 0.00 0.23 -0.63 0.74 -0.95 0.00 0.00 178.83 178.22 2kku h PHE 72 N 0.32 0.00 0.00 2.96 0.04 -1.66 -2.31 116.94 116.29 2kku h PHE 72 Ca 0.09 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 2kku h PHE 72 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 2kku h PHE 72 CO 0.00 0.63 -1.15 1.19 -0.60 0.00 0.00 178.31 178.39 2kku n PHE 73 N -3.40 0.87 0.04 -0.55 3.72 -0.89 -1.03 117.46 116.23 2kku n PHE 73 Ca 0.01 0.26 -0.14 0.00 -0.05 0.00 0.00 57.45 57.52 2kku n PHE 73 Cb 0.73 -0.93 -0.14 0.00 -0.94 0.00 0.00 39.48 38.21 2kku n PHE 73 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 2kku h GLU 74 N 0.00 0.17 0.00 -1.08 4.11 -1.36 -3.25 114.58 113.17 2kku h GLU 74 Ca -0.02 -0.30 -0.00 0.00 0.07 0.00 0.00 59.36 59.12 2kku h GLU 74 Cb 1.05 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 2kku h GLU 74 CO 0.00 0.99 -0.07 1.15 0.07 0.00 0.00 179.01 181.16 2kku h THR 75 N 0.05 0.05 0.00 -1.06 2.02 -1.51 -3.44 112.91 109.02 2kku h THR 75 Ca -0.23 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 65.91 2kku h THR 75 Cb 1.99 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 2kku h THR 75 CO 0.14 0.02 -0.37 0.49 0.37 0.00 0.00 175.52 176.16 2kku n PHE 76 N -4.75 0.37 0.00 3.16 3.72 -0.20 -4.99 117.46 114.77 2kku n PHE 76 Ca -0.01 0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 2kku n PHE 76 Cb 0.05 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 38.12 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 1.61 1.14 0.00 1.37 0.00 -0.47 -3.09 105.19 105.75 2kku n GLY 77 Ca -0.05 0.36 0.09 0.00 0.00 0.00 0.00 46.02 46.42 2kku n GLY 77 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kku n ASP 78 N 4.59 0.00 0.09 1.61 8.00 -1.26 -1.82 116.55 127.77 2kku n ASP 78 Ca 0.00 0.45 -0.17 0.00 0.71 0.00 0.00 54.79 55.78 2kku n ASP 78 Cb 0.00 -0.48 -0.11 0.00 -0.02 0.00 0.00 41.12 40.51 2kku n ASP 78 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2kku h ARG 79 N 0.00 0.40 -6.80 -1.24 2.47 -1.92 -3.47 114.38 103.82 2kku h ARG 79 Ca 0.00 -0.56 -0.50 0.00 -1.26 0.00 0.00 59.98 57.66 2kku h ARG 79 Cb 0.32 0.19 0.01 0.00 -1.65 0.00 0.00 29.97 28.84 2kku h ARG 79 CO 0.00 1.23 0.45 0.08 0.56 0.00 0.00 179.97 182.29 2kku s VAL 80 N -2.92 3.61 0.66 2.04 1.01 -0.76 -0.24 120.40 123.81 2kku s VAL 80 Ca -0.06 1.61 0.37 0.00 0.00 0.00 0.00 61.98 63.90 2kku s VAL 80 Cb 0.07 -4.02 0.38 0.00 0.00 0.00 0.00 36.38 32.82 2kku s VAL 80 CO 0.89 0.37 2.17 2.19 0.00 0.00 0.00 175.10 180.73 2kku h PHE 81 N 3.84 0.00 -3.71 5.22 -0.00 -1.43 -3.41 116.94 117.44 2kku h PHE 81 Ca -0.46 0.00 -0.36 0.00 -0.00 0.00 0.00 57.97 57.15 2kku h PHE 81 Cb 1.21 0.00 -0.14 0.00 -0.00 0.00 0.00 35.95 37.02 2kku h PHE 81 CO 0.59 0.00 -0.61 -0.48 -0.00 0.00 0.00 178.31 177.81 2kku s LEU 82 N -6.17 1.67 0.00 2.10 2.34 -1.26 -4.85 118.68 112.52 2kku s LEU 82 Ca -0.04 -1.39 0.04 0.00 0.06 0.00 0.00 54.13 52.80 2kku s LEU 82 Cb 0.12 -0.00 0.04 0.00 -0.56 0.00 0.00 46.19 45.78 2kku s LEU 82 CO 0.37 -0.73 0.33 1.07 -1.06 0.00 0.00 176.35 176.34 2kku n THR 83 N -0.49 0.00 0.25 5.48 5.66 -1.26 -4.88 114.28 119.04 2kku n THR 83 Ca -0.00 -1.48 0.11 0.00 -3.05 0.00 0.00 64.05 59.64 2kku n THR 83 Cb 0.66 -0.26 0.66 0.00 -1.55 0.00 0.00 70.33 69.84 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 0.00 -0.09 1.09 3.64 -1.94 0.45 116.57 119.71 2kku h LYS 84 Ca -0.23 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 58.95 2kku h LYS 84 Cb 0.87 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.69 2kku h LYS 84 CO 0.36 0.15 -0.76 0.22 -2.27 0.00 0.00 179.45 177.16 2kku h ASP 85 N 0.00 0.61 1.11 4.20 3.58 -1.99 -0.62 116.42 123.31 2kku h ASP 85 Ca -0.00 -0.41 -0.07 0.00 0.42 0.00 0.00 57.03 56.97 2kku h ASP 85 Cb 0.40 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 2kku h ASP 85 CO 0.02 1.17 -0.34 -0.33 -2.88 0.00 0.00 179.24 176.88 2kku h GLU 86 N 0.35 0.00 0.01 0.28 3.07 -1.77 -2.92 114.58 113.59 2kku h GLU 86 Ca -0.04 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2kku h GLU 86 Cb 1.35 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.26 2kku h GLU 86 CO 0.14 0.34 -0.00 1.25 -1.40 0.00 0.00 179.01 179.33 2kku h LEU 87 N 0.00 -0.01 -0.71 1.33 5.85 -0.76 -2.46 115.31 118.54 2kku h LEU 87 Ca -0.00 -0.37 -0.06 0.00 0.84 0.00 0.00 57.88 58.28 2kku h LEU 87 Cb 0.99 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 2kku h LEU 87 CO 0.04 0.37 0.21 0.07 -0.34 0.00 0.00 178.44 178.79 2kku h LYS 88 N -0.39 1.11 -0.68 1.25 5.09 -1.14 -0.27 116.57 121.54 2kku h LYS 88 Ca -0.00 -0.25 -0.07 0.00 0.09 0.00 0.00 60.65 60.42 2kku h LYS 88 Cb 0.38 -0.16 -0.03 0.00 0.10 0.00 0.00 32.23 32.53 2kku h LYS 88 CO 0.00 0.96 0.14 1.05 -2.09 0.00 0.00 179.45 179.51 2kku h GLU 89 N 1.05 1.11 -0.04 0.07 4.11 -1.60 -2.25 114.58 117.03 2kku h GLU 89 Ca 0.23 -0.28 -0.00 0.00 0.07 0.00 0.00 59.36 59.37 2kku h GLU 89 Cb 0.33 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2kku h GLU 89 CO -0.00 1.00 0.01 -0.92 0.07 0.00 0.00 179.01 179.17 2kku h TYR 90 N 1.05 0.07 -0.26 2.06 3.20 -0.88 -0.02 116.97 122.18 2kku h TYR 90 Ca 0.21 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.01 2kku h TYR 90 Cb 0.41 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 2kku h TYR 90 CO 0.03 0.25 -0.10 0.52 -1.64 0.00 0.00 178.16 177.22 2kku h MET 91 N -0.14 0.52 0.00 1.82 2.86 -1.10 -3.01 114.93 115.89 2kku h MET 91 Ca 0.01 -0.22 -0.08 0.00 -2.06 0.00 0.00 59.70 57.36 2kku h MET 91 Cb 0.22 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 2kku h MET 91 CO -0.00 0.76 -0.37 0.87 1.06 0.00 0.00 176.91 179.23 2kku h LYS 92 N 0.26 0.00 -0.32 1.72 1.79 -1.42 -2.63 116.57 115.97 2kku h LYS 92 Ca 0.06 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.50 2kku h LYS 92 Cb 0.59 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.22 2kku h LYS 92 CO 0.03 0.37 0.06 0.77 -1.08 0.00 0.00 179.45 179.60 2kku h SER 93 N 0.00 0.42 0.61 0.86 0.02 -0.86 0.18 113.55 114.79 2kku h SER 93 Ca -0.00 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 2kku h SER 93 Cb 0.88 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 2kku h SER 93 CO 0.05 0.45 -0.21 1.56 -1.14 0.00 0.00 176.83 177.53 2kku h GLN 94 N 0.46 0.00 0.00 3.45 1.08 -1.41 -2.43 115.11 116.25 2kku h GLN 94 Ca 0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 2kku h GLN 94 Cb 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 2kku h GLN 94 CO -0.00 0.21 -1.16 -0.85 -0.95 0.00 0.00 178.83 176.08 2kku n GLU 95 N -3.59 0.99 -0.01 1.46 -0.00 -0.98 -3.15 120.64 115.36 2kku n GLU 95 Ca -0.01 -0.06 -0.05 0.00 -0.00 0.00 0.00 57.16 57.05 2kku n GLU 95 Cb 0.35 -1.12 -0.12 0.00 -0.00 0.00 0.00 31.44 30.56 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 -1.65 0.64 -0.08 3.44 1.85 0.60 -2.87 116.66 118.59 2kku n ARG 96 Ca -0.01 0.21 0.11 0.00 -1.00 0.00 0.00 57.85 57.16 2kku n ARG 96 Cb 0.18 -1.75 0.13 0.00 -1.05 0.00 0.00 32.46 29.97 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 -2.91 0.20 0.00 2.89 7.02 -0.92 -4.98 117.44 118.73 2kku n TRP 97 Ca -0.16 -0.11 0.00 0.00 -1.02 0.00 0.00 57.50 56.21 2kku n TRP 97 Cb 0.96 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.85 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 1.25 4.77 3.36 6.99 0.00 -1.19 -5.02 105.19 115.36 2kku n GLY 98 Ca 0.15 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 2kku n GLY 98 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kku s ARG 99 N 4.45 3.20 -1.36 1.61 1.81 -1.23 -4.77 118.95 122.67 2kku s ARG 99 Ca 0.00 -0.78 -0.16 0.00 -1.72 0.00 0.00 55.73 53.07 2kku s ARG 99 Cb 0.00 -3.36 0.03 0.00 -0.45 0.00 0.00 34.95 31.17 2kku s ARG 99 CO 0.00 -0.39 2.07 -2.13 -0.68 0.00 0.00 175.30 174.17 2kku n ARG 100 N 4.88 2.80 -0.73 3.54 0.63 -1.14 -3.48 116.66 123.16 2kku n ARG 100 Ca -0.15 -2.71 -0.01 0.00 -0.92 0.00 0.00 57.85 54.06 2kku n ARG 100 Cb 0.49 -3.33 -0.00 0.00 0.45 0.00 0.00 32.46 30.06 2kku n ARG 100 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2kku n ARG 101 N 6.82 0.03 -1.64 -0.14 1.74 -1.26 -5.11 116.66 117.10 2kku n ARG 101 Ca 0.51 -0.13 -0.22 0.00 -0.77 0.00 0.00 57.85 57.25 2kku n ARG 101 Cb 0.41 0.43 -0.06 0.00 -1.02 0.00 0.00 32.46 32.22 2kku n ARG 101 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2kku s GLU 102 N 0.00 1.87 1.32 5.56 0.41 -1.23 -4.67 118.70 121.96 2kku s GLU 102 Ca 0.00 0.63 0.00 0.00 -0.41 0.00 0.00 54.97 55.19 2kku s GLU 102 Cb 0.01 -4.75 0.00 0.00 -1.78 0.00 0.00 34.13 27.61 2kku s GLU 102 CO -0.00 -3.98 0.00 0.45 -0.49 0.00 0.00 175.26 171.24 2kku n SER 103 N 17.24 -5.65 0.00 -0.19 2.88 -1.26 -4.93 113.62 121.71 2kku n SER 103 Ca 0.42 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 2kku n SER 103 Cb 0.47 -1.19 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 2kku n SER 103 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2kku n LYS 104 N -2.32 0.00 -1.79 -1.46 0.00 -1.26 -5.10 118.16 106.23 2kku n LYS 104 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 58.31 58.01 2kku n LYS 104 Cb 0.18 -0.25 0.04 0.00 0.00 0.00 0.00 35.03 35.00 2kku n LYS 104 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2kku s LYS 105 N -1.98 2.95 0.97 1.64 2.20 -1.26 -5.05 119.74 119.21 2kku s LYS 105 Ca 0.00 0.62 -0.11 0.00 -0.36 0.00 0.00 55.97 56.12 2kku s LYS 105 Cb 0.00 -2.02 0.15 0.00 -1.51 0.00 0.00 37.83 34.46 2kku s LYS 105 CO 0.00 -1.00 0.97 0.36 -0.36 0.00 0.00 175.35 175.32 2kku n LYS 106 N -3.02 -0.82 -4.43 4.03 0.00 -1.26 -5.06 118.16 107.61 2kku n LYS 106 Ca 0.07 -0.18 -0.23 0.00 -0.00 0.00 0.00 58.31 57.96 2kku n LYS 106 Cb 0.56 -2.24 -0.13 0.00 -0.00 0.00 0.00 35.03 33.22 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 -4.40 1.17 -0.70 -1.58 2.47 -1.26 -5.09 119.74 110.35 2kku s LYS 107 Ca 0.65 -0.98 -0.25 0.00 -1.56 0.00 0.00 55.97 53.82 2kku s LYS 107 Cb -0.23 -1.31 0.04 0.00 -1.46 0.00 0.00 37.83 34.88 2kku s LYS 107 CO 0.61 0.32 1.16 -1.17 0.16 0.00 0.00 175.35 176.43 2kku s LEU 108 N -1.47 3.61 0.48 5.43 1.98 -1.26 -4.25 118.68 123.20 2kku s LEU 108 Ca 0.05 -0.61 -0.05 0.00 -2.89 0.00 0.00 54.13 50.64 2kku s LEU 108 Cb -0.09 -2.55 -0.04 0.00 0.66 0.00 0.00 46.19 44.18 2kku s LEU 108 CO 0.03 -1.67 0.78 0.26 -1.89 0.00 0.00 176.35 173.85 2kku s TRP 109 N 5.09 3.56 -0.01 5.38 0.52 -0.57 -3.80 118.94 129.12 2kku s TRP 109 Ca 0.31 0.80 -0.00 0.00 0.02 0.00 0.00 56.10 57.23 2kku s TRP 109 Cb -0.11 -2.29 0.01 0.00 -1.15 0.00 0.00 33.47 29.93 2kku s TRP 109 CO 0.14 -0.26 0.01 0.00 0.02 0.00 0.00 176.95 176.86 2kku s MET 110 N -4.72 -0.00 -0.41 4.98 0.23 -0.74 -1.55 119.30 117.09 2kku s MET 110 Ca 0.47 0.06 -0.06 0.00 -1.03 0.00 0.00 55.69 55.13 2kku s MET 110 Cb -0.10 -0.06 0.09 0.00 -1.53 0.00 0.00 34.83 33.23 2kku s MET 110 CO 0.44 -0.04 0.22 0.00 -2.03 0.00 0.00 175.02 173.61 2kku s ALA 111 N 0.27 3.19 -0.22 3.16 0.00 -0.25 -0.70 121.76 127.22 2kku s ALA 111 Ca -0.02 -2.33 -0.26 0.00 0.00 0.00 0.00 51.96 49.35 2kku s ALA 111 Cb -0.03 -2.49 -0.00 0.00 0.00 0.00 0.00 23.12 20.60 2kku s ALA 111 CO -0.01 -1.71 0.89 0.42 0.00 0.00 0.00 175.76 175.36 2kku s ILE 112 N 1.27 4.80 0.19 0.00 1.01 0.09 -1.27 121.20 127.30 2kku s ILE 112 Ca 0.05 1.73 -0.30 0.00 0.00 0.00 0.00 60.65 62.13 2kku s ILE 112 Cb -0.23 -4.18 -0.08 0.00 0.01 0.00 0.00 42.46 37.98 2kku s ILE 112 CO -0.01 -0.07 0.94 -0.70 0.00 0.00 0.00 174.94 175.09 2kku s GLU 113 N 2.74 4.79 -0.11 2.79 2.12 -1.11 -0.85 118.70 129.08 2kku s GLU 113 Ca 0.39 1.46 0.03 0.00 0.36 0.00 0.00 54.97 57.21 2kku s GLU 113 Cb -0.16 -3.31 -0.00 0.00 0.26 0.00 0.00 34.13 30.92 2kku s GLU 113 CO 0.09 0.41 -0.22 -0.51 -0.54 0.00 0.00 175.26 174.48 2kku s LEU 114 N -0.75 2.18 0.36 2.70 2.01 0.32 -0.10 118.68 125.40 2kku s LEU 114 Ca 0.43 -0.53 0.03 0.00 0.01 0.00 0.00 54.13 54.08 2kku s LEU 114 Cb -0.25 -1.44 -0.05 0.00 0.01 0.00 0.00 46.19 44.46 2kku s LEU 114 CO 0.31 0.16 0.08 -1.83 1.01 0.00 0.00 176.35 176.08 2kku s GLU 115 N 0.37 1.75 -1.25 1.70 -1.05 -0.60 -1.33 118.70 118.30 2kku s GLU 115 Ca -0.17 -2.01 -0.09 0.00 -0.15 0.00 0.00 54.97 52.55 2kku s GLU 115 Cb -0.18 -0.75 -0.01 0.00 -0.44 0.00 0.00 34.13 32.76 2kku s GLU 115 CO 0.08 -0.31 0.68 -3.47 0.95 0.00 0.00 175.26 173.20 2kku n ASP 116 N -0.91 -2.95 -4.61 0.83 2.03 -1.05 -0.74 116.55 109.15 2kku n ASP 116 Ca -0.04 -0.93 -0.42 0.00 0.52 0.00 0.00 54.79 53.91 2kku n ASP 116 Cb 0.66 -3.63 -0.04 0.00 -0.72 0.00 0.00 41.12 37.38 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 -3.64 4.69 0.11 5.18 1.01 -1.08 -4.03 120.40 122.64 2kku s VAL 117 Ca 0.22 1.24 0.02 0.00 0.00 0.00 0.00 61.98 63.46 2kku s VAL 117 Cb -0.07 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 2kku s VAL 117 CO 0.84 -0.38 0.19 -0.75 0.00 0.00 0.00 175.10 175.00 2kku s LYS 118 N 3.22 3.22 -0.10 2.72 2.47 0.24 -4.87 119.74 126.63 2kku s LYS 118 Ca 0.36 -0.63 -0.04 0.00 -1.56 0.00 0.00 55.97 54.10 2kku s LYS 118 Cb -0.13 -2.87 -0.04 0.00 -1.46 0.00 0.00 37.83 33.33 2kku s LYS 118 CO 0.15 0.55 0.05 0.15 0.16 0.00 0.00 175.35 176.41 2kku s LYS 119 N -2.84 3.16 -1.24 4.03 -0.14 -1.26 -1.00 119.74 120.45 2kku s LYS 119 Ca 0.33 -0.31 -0.10 0.00 -1.36 0.00 0.00 55.97 54.53 2kku s LYS 119 Cb -0.12 -2.93 0.19 0.00 -1.68 0.00 0.00 37.83 33.29 2kku s LYS 119 CO 0.26 0.72 1.72 0.66 -0.76 0.00 0.00 175.35 177.94 2kku n TYR 120 N 2.12 3.34 0.22 3.18 4.01 -0.84 -4.69 117.16 124.51 2kku n TYR 120 Ca -0.19 -2.91 0.09 0.00 -0.16 0.00 0.00 57.90 54.72 2kku n TYR 120 Cb 0.54 -1.90 0.46 0.00 -0.31 0.00 0.00 39.34 38.13 2kku n TYR 120 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 2kku h ASP 121 N 6.01 0.00 -3.94 7.72 3.58 -1.95 -3.43 116.42 124.41 2kku h ASP 121 Ca 0.35 0.00 -0.46 0.00 0.42 0.00 0.00 57.03 57.34 2kku h ASP 121 Cb 0.68 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.71 2kku h ASP 121 CO 1.50 0.26 0.35 -1.59 -2.88 0.00 0.00 179.24 176.87 2kku s LYS 122 N -3.75 4.46 -0.89 0.28 -2.85 -1.26 -4.98 119.74 110.75 2kku s LYS 122 Ca -0.00 1.28 -0.25 0.00 -1.00 0.00 0.00 55.97 56.00 2kku s LYS 122 Cb 0.11 -2.61 -0.05 0.00 -2.06 0.00 0.00 37.83 33.22 2kku s LYS 122 CO 0.65 0.17 1.95 -1.25 0.10 0.00 0.00 175.35 176.97 2kku s PRO 123 N -2.40 2.54 -0.24 1.78 0.04 -1.26 -4.94 135.00 130.52 2kku s PRO 123 Ca 0.54 -0.25 -0.06 0.00 0.04 0.00 0.00 61.00 61.26 2kku s PRO 123 Cb -0.16 -5.04 -0.02 0.00 0.04 0.00 0.00 34.50 29.32 2kku s PRO 123 CO 0.21 -3.38 0.04 0.42 0.04 0.00 0.00 177.00 174.33 2kku s ILE 124 N 10.14 4.06 -0.03 0.56 1.01 -1.26 -5.12 121.20 130.57 2kku s ILE 124 Ca 0.70 -0.28 -0.08 0.00 0.00 0.00 0.00 60.65 61.00 2kku s ILE 124 Cb -0.07 -2.90 -0.05 0.00 0.01 0.00 0.00 42.46 39.46 2kku s ILE 124 CO -0.00 0.35 0.26 -0.54 0.00 0.00 0.00 174.94 175.01 2kku s LYS 125 N 1.58 3.61 0.24 2.79 3.01 -1.26 -4.69 119.74 125.02 2kku s LYS 125 Ca 0.06 0.00 -0.30 0.00 -1.01 0.00 0.00 55.97 54.72 2kku s LYS 125 Cb -0.15 -3.13 -0.10 0.00 -1.01 0.00 0.00 37.83 33.43 2kku s LYS 125 CO 0.02 0.69 1.51 -1.25 0.51 0.00 0.00 175.35 176.83 2kku s PRO 126 N -1.44 4.21 0.42 -1.68 0.04 -1.26 -4.93 135.00 130.36 2kku s PRO 126 Ca 0.24 2.39 0.22 0.00 0.04 0.00 0.00 61.00 63.89 2kku s PRO 126 Cb -0.14 -3.09 0.83 0.00 0.04 0.00 0.00 34.50 32.14 2kku s PRO 126 CO 0.12 -0.52 1.79 0.87 0.04 0.00 0.00 177.00 179.30 2kku h LYS 127 N 5.36 0.00 -3.35 4.56 6.56 -2.00 -3.46 116.57 124.24 2kku h LYS 127 Ca -0.46 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.08 2kku h LYS 127 Cb 1.22 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.83 2kku h LYS 127 CO 0.81 0.27 0.09 -0.98 -2.06 0.00 0.00 179.45 177.59 2kku s ARG 128 N -3.63 1.92 0.41 3.15 1.70 -1.26 -5.16 118.95 116.08 2kku s ARG 128 Ca 0.00 -1.35 -0.25 0.00 -0.47 0.00 0.00 55.73 53.66 2kku s ARG 128 Cb 0.10 0.56 -0.08 0.00 -0.57 0.00 0.00 34.95 34.96 2kku s ARG 128 CO 0.65 -0.86 1.24 -0.48 -1.08 0.00 0.00 175.30 174.77 2kku s LEU 129 N -3.05 4.19 -0.31 -1.89 2.34 -1.26 -5.04 118.68 113.65 2kku s LEU 129 Ca 0.19 2.51 0.03 0.00 0.06 0.00 0.00 54.13 56.91 2kku s LEU 129 Cb -0.04 -3.98 0.09 0.00 -0.56 0.00 0.00 46.19 41.71 2kku s LEU 129 CO 0.11 -0.79 0.03 -0.69 -1.06 0.00 0.00 176.35 173.95 2kku s VAL 130 N -1.34 1.93 0.67 1.48 1.01 -1.26 -4.92 120.40 117.97 2kku s VAL 130 Ca 0.58 -1.98 -0.11 0.00 0.00 0.00 0.00 61.98 60.47 2kku s VAL 130 Cb -0.34 -2.36 0.16 0.00 0.00 0.00 0.00 36.38 33.84 2kku s VAL 130 CO 0.44 -0.50 0.73 -0.81 0.00 0.00 0.00 175.10 174.96 2kku n PRO 131 N 4.43 -1.55 0.11 2.72 -0.04 -1.26 -4.59 135.00 134.81 2kku n PRO 131 Ca -0.01 -1.15 0.12 0.00 -0.04 0.00 0.00 63.50 62.43 2kku n PRO 131 Cb 0.42 -0.91 0.62 0.00 -0.04 0.00 0.00 33.50 33.60 2kku n PRO 131 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2kku h VAL 132 N -1.86 0.90 0.00 0.52 3.04 -2.00 -0.52 116.25 116.33 2kku h VAL 132 Ca -0.26 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 2kku h VAL 132 Cb 0.74 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 2kku h VAL 132 CO 0.17 0.02 0.00 1.23 -1.01 0.00 0.00 177.57 177.98 2kku h GLY 133 N 0.09 0.00 -0.04 3.17 0.00 -1.98 -3.46 103.07 100.86 2kku h GLY 133 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2kku h GLY 133 CO -0.01 0.00 -0.01 0.61 0.00 0.00 0.00 176.54 177.12 2kku n GLY 134 N 0.69 -2.63 3.45 4.60 0.00 -0.20 -4.88 105.19 106.21 2kku n GLY 134 Ca 0.04 -1.44 -0.30 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 -3.03 1.89 -0.28 1.61 -1.52 -0.69 -4.80 119.66 112.84 2kku s GLN 135 Ca 0.00 -1.09 -0.28 0.00 -1.95 0.00 0.00 55.36 52.04 2kku s GLN 135 Cb 0.00 -2.12 0.01 0.00 -0.22 0.00 0.00 33.01 30.69 2kku s GLN 135 CO 0.00 0.51 1.03 0.71 -0.25 0.00 0.00 175.29 177.29 2kku s TYR 136 N -0.99 3.24 -0.20 0.91 2.02 -1.26 -1.04 117.35 120.03 2kku s TYR 136 Ca 0.15 1.29 -0.23 0.00 -0.37 0.00 0.00 57.07 57.90 2kku s TYR 136 Cb -0.10 -3.45 -0.02 0.00 -0.40 0.00 0.00 41.96 37.99 2kku s TYR 136 CO 0.06 -0.61 0.76 -1.17 -1.57 0.00 0.00 175.55 173.02 2kku s LEU 137 N 3.37 4.13 -0.03 -1.29 0.20 -0.56 -4.92 118.68 119.58 2kku s LEU 137 Ca 0.43 1.00 0.01 0.00 0.69 0.00 0.00 54.13 56.27 2kku s LEU 137 Cb -0.14 -3.09 0.01 0.00 -0.43 0.00 0.00 46.19 42.54 2kku s LEU 137 CO 0.11 -0.39 -0.05 0.00 -0.29 0.00 0.00 176.35 175.73 2kku s ARG 138 N 2.29 0.69 0.00 1.98 3.03 -1.26 -1.73 118.95 123.94 2kku s ARG 138 Ca 0.34 -0.14 0.31 0.00 2.03 0.00 0.00 55.73 58.27 2kku s ARG 138 Cb -0.16 -0.69 1.71 0.00 -1.03 0.00 0.00 34.95 34.78 2kku s ARG 138 CO 0.10 -0.00 2.12 -1.91 -1.13 0.00 0.00 175.30 174.48