#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 0.15 0.17 7.83 7.64 -1.26 -2.12 113.62 126.04 2kku n SER 2 Ca 0.00 0.54 0.13 0.00 1.01 0.00 0.00 58.87 60.55 2kku n SER 2 Cb 0.00 -0.57 0.38 0.00 -1.01 0.00 0.00 64.21 63.01 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 -2.00 -3.50 116.57 114.59 2kku h LYS 3 Ca 0.00 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.69 2kku h LYS 3 Cb 0.26 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.58 2kku h LYS 3 CO 0.00 0.00 -0.05 -0.89 -2.00 0.00 0.00 179.45 176.51 2kku n ILE 4 N -2.66 0.00 0.00 0.07 2.08 -0.90 -4.96 119.36 112.98 2kku n ILE 4 Ca 0.04 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.35 2kku n ILE 4 Cb 0.41 -0.05 0.00 0.00 -0.75 0.00 0.00 39.64 39.26 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 -1.80 0.00 -2.75 1.39 0.24 -0.76 -2.95 118.33 111.70 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 0.06 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.43 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 -0.50 1.90 2.94 7.63 0.00 -0.34 -1.32 105.19 115.51 2kku n GLY 6 Ca 0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 2kku n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kku s VAL 7 N -2.65 0.16 -0.09 1.61 0.11 -0.60 -1.80 120.40 117.13 2kku s VAL 7 Ca 0.00 -0.49 0.03 0.00 -2.93 0.00 0.00 61.98 58.59 2kku s VAL 7 Cb 0.00 -0.22 -0.01 0.00 -1.53 0.00 0.00 36.38 34.62 2kku s VAL 7 CO 0.00 -0.21 -0.19 0.28 -3.33 0.00 0.00 175.10 171.65 2kku s THR 8 N -0.71 2.57 -0.00 5.04 -1.32 -0.01 -1.65 115.64 119.56 2kku s THR 8 Ca -0.07 -0.86 0.03 0.00 -1.21 0.00 0.00 61.69 59.58 2kku s THR 8 Cb -0.05 -2.02 -0.01 0.00 -1.51 0.00 0.00 72.50 68.92 2kku s THR 8 CO -0.00 0.55 -0.09 -0.31 -2.21 0.00 0.00 174.62 172.56 2kku s TYR 9 N 0.08 0.80 0.19 9.09 1.51 -1.01 -1.49 117.35 126.52 2kku s TYR 9 Ca -0.08 -0.17 -0.10 0.00 -1.01 0.00 0.00 57.07 55.71 2kku s TYR 9 Cb -0.15 -0.51 0.10 0.00 -0.11 0.00 0.00 41.96 41.28 2kku s TYR 9 CO 0.05 -0.01 1.73 -1.35 -1.11 0.00 0.00 175.55 174.86 2kku h PRO 10 N 5.83 1.03 -5.70 -1.71 0.11 -1.80 -1.35 132.00 128.41 2kku h PRO 10 Ca -0.31 -0.21 -0.13 0.00 0.11 0.00 0.00 66.00 65.46 2kku h PRO 10 Cb 1.18 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2kku h PRO 10 CO 0.49 0.88 -0.61 -0.89 -0.21 0.00 0.00 178.00 177.66 2kku n ILE 11 N -4.35 -8.76 1.06 4.15 5.41 -1.26 -4.58 119.36 111.03 2kku n ILE 11 Ca 0.05 0.44 0.08 0.00 1.00 0.00 0.00 62.75 64.32 2kku n ILE 11 Cb 0.21 -6.07 0.49 0.00 -0.71 0.00 0.00 39.64 33.55 2kku n ILE 11 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2kku n PRO 12 N -0.73 0.53 -2.23 0.38 -0.02 -1.26 -4.56 135.00 127.12 2kku n PRO 12 Ca 0.02 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.12 2kku n PRO 12 Cb 0.54 -1.49 -0.01 0.00 -0.02 0.00 0.00 33.50 32.52 2kku n PRO 12 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2kku s LYS 13 N -2.00 3.89 0.05 -0.52 -0.14 -1.26 -4.93 119.74 114.84 2kku s LYS 13 Ca 0.25 1.87 0.03 0.00 -1.36 0.00 0.00 55.97 56.76 2kku s LYS 13 Cb 0.11 -2.57 0.18 0.00 -1.68 0.00 0.00 37.83 33.88 2kku s LYS 13 CO 0.19 -0.46 1.08 2.89 -0.76 0.00 0.00 175.35 178.29 2kku n ARG 14 N -0.17 0.02 -0.95 1.68 1.85 -1.26 -1.94 116.66 115.89 2kku n ARG 14 Ca 0.06 0.50 0.00 0.00 -1.00 0.00 0.00 57.85 57.42 2kku n ARG 14 Cb 0.47 -1.59 0.35 0.00 -1.05 0.00 0.00 32.46 30.64 2kku n ARG 14 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2kku n PHE 15 N -1.60 2.25 0.22 2.89 3.72 -1.26 -4.21 117.46 119.46 2kku n PHE 15 Ca -0.00 -0.94 0.05 0.00 -0.05 0.00 0.00 57.45 56.51 2kku n PHE 15 Cb 0.03 -0.60 0.49 0.00 -0.94 0.00 0.00 39.48 38.46 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 3.30 0.00 0.00 -1.08 -0.00 -1.63 -2.88 114.93 112.64 2kku h MET 16 Ca 0.13 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.77 2kku h MET 16 Cb 2.14 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.73 2kku h MET 16 CO 0.61 0.23 -0.28 -0.44 -0.00 0.00 0.00 176.91 177.02 2kku h ASP 17 N 0.00 0.00 -0.84 -0.10 5.19 -1.86 -3.31 116.42 115.51 2kku h ASP 17 Ca -0.00 0.00 0.11 0.00 -0.62 0.00 0.00 57.03 56.51 2kku h ASP 17 Cb 0.42 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.87 2kku h ASP 17 CO 0.03 0.28 0.54 0.03 -3.12 0.00 0.00 179.24 177.01 2kku h ARG 18 N 0.00 0.73 0.00 3.56 2.47 -1.81 0.13 114.38 119.46 2kku h ARG 18 Ca -0.00 -0.04 -0.06 0.00 -1.26 0.00 0.00 59.98 58.61 2kku h ARG 18 Cb 0.61 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.75 2kku h ARG 18 CO 0.04 0.49 -0.30 0.74 0.56 0.00 0.00 179.97 181.49 2kku h PHE 19 N 0.76 0.00 0.00 3.04 -1.00 -1.78 -2.12 116.94 115.84 2kku h PHE 19 Ca 0.39 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 61.07 2kku h PHE 19 Cb 0.50 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.04 2kku h PHE 19 CO -0.00 0.30 -1.51 1.19 -1.61 0.00 0.00 178.31 176.68 2kku n PHE 20 N -4.14 0.68 0.05 -0.55 3.72 -0.43 -3.16 117.46 113.64 2kku n PHE 20 Ca -0.02 0.21 -0.09 0.00 -0.05 0.00 0.00 57.45 57.50 2kku n PHE 20 Cb 0.35 -0.92 -0.07 0.00 -0.94 0.00 0.00 39.48 37.90 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 -0.22 0.00 -1.08 3.11 -0.33 -3.35 116.57 114.71 2kku h LYS 21 Ca -0.12 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.74 2kku h LYS 21 Cb 1.35 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.63 2kku h LYS 21 CO 0.02 0.17 -0.88 0.36 -2.81 0.00 0.00 179.45 176.31 2kku n LYS 22 N -4.92 0.16 0.00 1.90 2.85 -0.84 -4.98 118.16 112.34 2kku n LYS 22 Ca -0.07 -0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.19 2kku n LYS 22 Cb 0.24 -1.55 0.00 0.00 -0.65 0.00 0.00 35.03 33.07 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 1.42 2.72 3.02 2.58 0.00 -1.19 -4.91 105.19 108.83 2kku n GLY 23 Ca 0.03 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 0.19 0.47 1.61 0.00 -1.25 -3.78 119.74 116.98 2kku s LYS 24 Ca 0.00 0.73 0.01 0.00 0.00 0.00 0.00 55.97 56.71 2kku s LYS 24 Cb 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 37.83 37.71 2kku s LYS 24 CO 0.00 -0.34 0.04 -3.47 0.00 0.00 0.00 175.35 171.59 2kku n ASP 25 N 5.36 2.72 -3.74 0.03 -0.08 -0.57 -4.92 116.55 115.34 2kku n ASP 25 Ca -0.06 -3.18 -0.27 0.00 -1.51 0.00 0.00 54.79 49.77 2kku n ASP 25 Cb 0.50 0.56 -0.16 0.00 2.34 0.00 0.00 41.12 44.35 2kku n ASP 25 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2kku s VAL 26 N -2.88 0.55 -0.25 5.18 1.01 0.48 -0.61 120.40 123.87 2kku s VAL 26 Ca 0.06 -0.54 -0.17 0.00 0.00 0.00 0.00 61.98 61.32 2kku s VAL 26 Cb 0.00 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 2kku s VAL 26 CO 0.04 -0.18 0.48 0.12 0.00 0.00 0.00 175.10 175.57 2kku s PHE 27 N 1.85 3.29 -0.12 5.22 5.36 -0.57 -1.92 117.98 131.08 2kku s PHE 27 Ca -0.01 0.62 -0.09 0.00 -0.96 0.00 0.00 56.93 56.49 2kku s PHE 27 Cb -0.17 -2.68 -0.04 0.00 -0.34 0.00 0.00 43.02 39.79 2kku s PHE 27 CO -0.08 -0.23 0.18 0.14 -1.46 0.00 0.00 175.22 173.78 2kku s VAL 28 N 2.11 5.42 -0.05 3.12 -7.23 -1.26 -1.23 120.40 121.28 2kku s VAL 28 Ca 0.20 0.31 0.03 0.00 -1.81 0.00 0.00 61.98 60.72 2kku s VAL 28 Cb -0.16 -3.47 0.00 0.00 0.56 0.00 0.00 36.38 33.32 2kku s VAL 28 CO 0.09 0.57 -0.15 -0.54 -0.31 0.00 0.00 175.10 174.77 2kku s LYS 29 N -0.72 1.67 -0.80 4.82 -0.14 -0.38 -4.99 119.74 119.20 2kku s LYS 29 Ca 0.15 -0.51 -0.07 0.00 -1.36 0.00 0.00 55.97 54.18 2kku s LYS 29 Cb -0.13 -1.43 -0.13 0.00 -1.68 0.00 0.00 37.83 34.46 2kku s LYS 29 CO 0.04 0.16 2.81 -0.35 -0.76 0.00 0.00 175.35 177.25 2kku n PRO 30 N 3.38 2.49 -3.53 -1.68 -0.04 -1.26 -0.60 135.00 133.75 2kku n PRO 30 Ca -0.20 -1.47 -0.25 0.00 -0.04 0.00 0.00 63.50 61.55 2kku n PRO 30 Cb 0.53 -2.36 -0.02 0.00 -0.04 0.00 0.00 33.50 31.62 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 3.33 -1.10 0.24 0.55 0.00 -1.13 -4.83 120.51 117.57 2kku n ALA 31 Ca 0.53 0.03 0.08 0.00 0.00 0.00 0.00 53.44 54.08 2kku n ALA 31 Cb 0.42 -2.64 0.58 0.00 0.00 0.00 0.00 19.45 17.80 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 -0.94 0.95 -3.45 0.00 2.02 -1.91 -3.42 112.91 106.16 2kku h THR 32 Ca -0.43 -0.62 -0.53 0.00 0.77 0.00 0.00 66.41 65.60 2kku h THR 32 Cb 1.29 1.35 -0.03 0.00 -1.74 0.00 0.00 68.15 69.02 2kku h THR 32 CO 0.56 0.17 -0.10 0.68 0.37 0.00 0.00 175.52 177.20 2kku s VAL 33 N -4.47 4.92 0.96 3.16 -7.23 -1.26 -5.12 120.40 111.36 2kku s VAL 33 Ca -0.04 0.48 -0.16 0.00 -1.81 0.00 0.00 61.98 60.45 2kku s VAL 33 Cb 0.15 -3.63 0.20 0.00 0.56 0.00 0.00 36.38 33.66 2kku s VAL 33 CO 0.66 -0.11 1.32 0.86 -0.31 0.00 0.00 175.10 177.52 2kku s TRP 34 N -1.86 1.59 -2.00 2.82 -0.11 -1.26 -4.95 118.94 113.16 2kku s TRP 34 Ca 0.48 0.32 0.09 0.00 1.22 0.00 0.00 56.10 58.21 2kku s TRP 34 Cb -0.11 -4.12 0.55 0.00 -1.50 0.00 0.00 33.47 28.29 2kku s TRP 34 CO 0.22 -2.67 0.99 1.63 -4.62 0.00 0.00 176.95 172.50 2kku n LYS 35 N -3.78 0.50 0.27 5.86 4.76 -1.26 -2.67 118.16 121.83 2kku n LYS 35 Ca 0.15 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.71 2kku n LYS 35 Cb 0.59 -1.29 0.74 0.00 -1.84 0.00 0.00 35.03 33.24 2kku n LYS 35 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2kku h GLU 36 N 0.00 0.00 -6.16 1.97 4.39 -2.03 -3.41 114.58 109.35 2kku h GLU 36 Ca 0.00 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.12 2kku h GLU 36 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2kku h GLU 36 CO 0.00 0.08 1.35 -0.51 -1.16 0.00 0.00 179.01 178.78 2kku s LEU 37 N -7.77 3.54 0.06 1.33 2.01 -1.09 -5.00 118.68 111.76 2kku s LEU 37 Ca -0.04 1.63 0.03 0.00 0.01 0.00 0.00 54.13 55.76 2kku s LEU 37 Cb 0.14 -3.52 -0.03 0.00 0.01 0.00 0.00 46.19 42.80 2kku s LEU 37 CO 0.60 -1.75 -0.09 -1.59 1.01 0.00 0.00 176.35 174.52 2kku s LYS 38 N 5.82 0.68 -0.54 1.70 0.00 -1.26 -5.10 119.74 121.05 2kku s LYS 38 Ca 0.88 -0.94 -0.27 0.00 0.00 0.00 0.00 55.97 55.65 2kku s LYS 38 Cb -0.28 -0.44 -0.02 0.00 0.00 0.00 0.00 37.83 37.09 2kku s LYS 38 CO 0.34 0.08 1.85 -1.25 0.00 0.00 0.00 175.35 176.37 2kku s PRO 39 N -2.08 2.80 0.00 1.78 0.04 -1.26 -3.63 135.00 132.65 2kku s PRO 39 Ca -0.03 0.84 0.00 0.00 0.04 0.00 0.00 61.00 61.84 2kku s PRO 39 Cb -0.07 -4.34 0.00 0.00 0.04 0.00 0.00 34.50 30.13 2kku s PRO 39 CO 0.00 -2.51 0.00 0.41 0.04 0.00 0.00 177.00 174.94 2kku n GLY 40 N 5.62 0.30 0.00 0.56 0.00 0.02 -4.90 105.19 106.79 2kku n GLY 40 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 2.35 -4.20 1.61 2.81 -0.84 -4.95 117.12 113.89 2kku n MET 41 Ca 0.00 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.64 2kku n MET 41 Cb 0.00 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 32.44 2kku n MET 41 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2kku s LYS 42 N -1.39 2.51 -0.25 0.03 1.02 -0.43 -0.72 119.74 120.51 2kku s LYS 42 Ca 0.00 -1.16 -0.02 0.00 0.02 0.00 0.00 55.97 54.81 2kku s LYS 42 Cb 0.00 -2.37 0.08 0.00 -0.52 0.00 0.00 37.83 35.03 2kku s LYS 42 CO 0.00 0.42 0.08 0.12 -0.92 0.00 0.00 175.35 175.05 2kku s PHE 43 N -1.96 1.14 -0.25 3.18 2.19 -0.26 -1.56 117.98 120.46 2kku s PHE 43 Ca 0.30 -1.18 -0.16 0.00 0.33 0.00 0.00 56.93 56.21 2kku s PHE 43 Cb -0.08 -1.26 -0.04 0.00 -1.31 0.00 0.00 43.02 40.33 2kku s PHE 43 CO 0.20 -0.75 0.41 0.08 1.83 0.00 0.00 175.22 177.00 2kku s VAL 44 N 1.82 5.16 -0.60 3.12 1.01 -0.66 -0.23 120.40 130.02 2kku s VAL 44 Ca 0.05 0.68 -0.24 0.00 0.00 0.00 0.00 61.98 62.47 2kku s VAL 44 Cb -0.17 -3.73 0.05 0.00 0.00 0.00 0.00 36.38 32.53 2kku s VAL 44 CO -0.20 0.17 0.98 -0.36 0.00 0.00 0.00 175.10 175.69 2kku s PHE 45 N 1.91 2.71 0.15 5.22 0.08 -0.07 -2.40 117.98 125.57 2kku s PHE 45 Ca 0.17 -0.17 -0.30 0.00 0.12 0.00 0.00 56.93 56.75 2kku s PHE 45 Cb -0.15 -4.20 -0.07 0.00 -0.57 0.00 0.00 43.02 38.02 2kku s PHE 45 CO 0.09 -1.51 1.20 -0.47 -0.10 0.00 0.00 175.22 174.44 2kku s TYR 46 N 4.16 3.43 -0.02 0.36 5.04 -0.51 -1.19 117.35 128.62 2kku s TYR 46 Ca 0.28 1.37 -0.23 0.00 -2.44 0.00 0.00 57.07 56.06 2kku s TYR 46 Cb -0.13 -3.44 -0.16 0.00 0.35 0.00 0.00 41.96 38.58 2kku s TYR 46 CO 0.16 -1.26 1.06 0.37 -1.34 0.00 0.00 175.55 174.54 2kku h GLN 47 N 5.70 -0.29 -2.27 4.97 4.15 -1.68 -3.35 115.11 122.34 2kku h GLN 47 Ca -0.44 0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.05 2kku h GLN 47 Cb 1.21 0.07 -0.17 0.00 0.21 0.00 0.00 27.48 28.80 2kku h GLN 47 CO 0.77 0.09 0.39 -1.54 -1.93 0.00 0.00 178.83 176.60 2kku s SER 48 N -5.29 -0.46 -0.32 -0.69 1.04 -1.26 -4.88 113.70 101.83 2kku s SER 48 Ca -0.13 0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.50 2kku s SER 48 Cb 0.01 0.44 0.37 0.00 0.10 0.00 0.00 66.02 66.95 2kku s SER 48 CO 0.51 -0.65 1.72 0.00 0.98 0.00 0.00 173.24 175.80 2kku n HIS 49 N 0.10 1.93 -1.22 5.02 1.44 -1.26 -3.94 115.22 117.29 2kku n HIS 49 Ca -0.13 -1.63 -0.30 0.00 -2.01 0.00 0.00 57.72 53.65 2kku n HIS 49 Cb 0.61 -0.82 0.10 0.00 0.12 0.00 0.00 29.99 30.01 2kku n HIS 49 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 2kku n GLU 50 N -0.35 2.46 -3.09 -1.40 4.07 -1.26 -4.85 120.64 116.22 2kku n GLU 50 Ca 0.38 -3.00 -0.09 0.00 -0.06 0.00 0.00 57.16 54.38 2kku n GLU 50 Cb 1.02 -2.18 0.01 0.00 -0.06 0.00 0.00 31.44 30.23 2kku n GLU 50 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2kku n ASP 51 N -0.86 -7.36 -4.06 4.31 2.03 -1.26 -5.07 116.55 104.29 2kku n ASP 51 Ca 0.58 0.08 -0.21 0.00 0.52 0.00 0.00 54.79 55.76 2kku n ASP 51 Cb 0.95 -4.64 -0.09 0.00 -0.72 0.00 0.00 41.12 36.62 2kku n ASP 51 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2kku s THR 52 N -2.70 0.49 0.00 5.18 2.01 -1.25 -5.11 115.64 114.26 2kku s THR 52 Ca 0.14 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.14 2kku s THR 52 Cb -0.03 -2.50 0.00 0.00 0.01 0.00 0.00 72.50 69.98 2kku s THR 52 CO 0.78 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.32 2kku n GLY 53 N -0.69 2.38 3.81 4.40 0.00 -1.26 -4.49 105.19 109.34 2kku n GLY 53 Ca -0.01 -2.05 -0.35 0.00 0.00 0.00 0.00 46.02 43.61 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 1.83 3.57 -0.17 1.61 0.08 -0.38 -2.12 117.98 122.40 2kku s PHE 54 Ca 0.00 1.47 0.19 0.00 0.12 0.00 0.00 56.93 58.71 2kku s PHE 54 Cb 0.00 -2.70 -0.08 0.00 -0.57 0.00 0.00 43.02 39.67 2kku s PHE 54 CO 0.00 0.22 0.91 1.55 -0.10 0.00 0.00 175.22 177.79 2kku n VAL 55 N 0.34 0.94 -3.20 -0.44 3.14 -0.33 -4.58 118.33 114.21 2kku n VAL 55 Ca 0.01 -0.63 0.00 0.00 -2.96 0.00 0.00 64.34 60.76 2kku n VAL 55 Cb 0.52 -0.56 0.00 0.00 -1.06 0.00 0.00 33.84 32.73 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 1.31 -0.92 3.64 7.55 0.00 -1.04 -1.45 105.19 114.29 2kku n GLY 56 Ca -0.06 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.39 2.04 0.08 1.61 -1.05 -0.69 -0.89 118.70 119.41 2kku s GLU 57 Ca 0.00 -1.58 -0.04 0.00 -0.15 0.00 0.00 54.97 53.20 2kku s GLU 57 Cb 0.00 0.53 0.02 0.00 -0.44 0.00 0.00 34.13 34.23 2kku s GLU 57 CO 0.00 -0.90 0.21 0.00 0.95 0.00 0.00 175.26 175.52 2kku n ALA 58 N -0.54 -0.50 -3.84 -0.84 0.00 0.68 0.17 120.51 115.65 2kku n ALA 58 Ca -0.03 -0.29 -0.30 0.00 0.00 0.00 0.00 53.44 52.81 2kku n ALA 58 Cb 0.61 0.22 -0.17 0.00 0.00 0.00 0.00 19.45 20.11 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 2.36 0.16 0.00 1.81 -0.08 -1.10 118.95 120.08 2kku s ARG 59 Ca 0.04 -0.60 -0.30 0.00 -1.72 0.00 0.00 55.73 53.15 2kku s ARG 59 Cb -0.01 -2.06 -0.08 0.00 -0.45 0.00 0.00 34.95 32.35 2kku s ARG 59 CO 0.02 -0.14 1.23 0.42 -0.68 0.00 0.00 175.30 176.16 2kku s ILE 60 N 1.21 3.57 0.00 1.52 1.01 0.10 -2.10 121.20 126.52 2kku s ILE 60 Ca -0.01 1.26 0.00 0.00 0.00 0.00 0.00 60.65 61.90 2kku s ILE 60 Cb -0.14 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.53 2kku s ILE 60 CO -0.06 0.17 0.00 0.29 0.00 0.00 0.00 174.94 175.34 2kku n LYS 61 N 2.93 0.00 -1.50 2.79 4.76 0.93 -0.80 118.16 127.27 2kku n LYS 61 Ca 0.06 0.00 -0.59 0.00 -2.87 0.00 0.00 58.31 54.91 2kku n LYS 61 Cb 0.44 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.54 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 -3.46 1.97 1.85 -1.26 -2.73 116.66 113.03 2kku n ARG 62 Ca 0.00 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.45 2kku n ARG 62 Cb 0.00 -1.33 -0.10 0.00 -1.05 0.00 0.00 32.46 29.98 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 2.97 5.22 -0.39 8.89 -7.23 -1.26 -1.78 120.40 126.83 2kku s VAL 63 Ca 0.95 0.02 -0.21 0.00 -1.81 0.00 0.00 61.98 60.93 2kku s VAL 63 Cb -1.33 -3.75 0.01 0.00 0.56 0.00 0.00 36.38 31.88 2kku s VAL 63 CO 0.71 -0.01 0.64 -0.69 -0.31 0.00 0.00 175.10 175.44 2kku s VAL 64 N 1.90 4.86 -0.18 1.32 1.01 -0.37 -4.85 120.40 124.09 2kku s VAL 64 Ca 0.10 0.42 -0.20 0.00 0.00 0.00 0.00 61.98 62.30 2kku s VAL 64 Cb -0.17 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 2kku s VAL 64 CO 0.11 -0.42 0.58 -0.76 0.00 0.00 0.00 175.10 174.61 2kku s LEU 65 N 2.76 4.17 -0.17 3.92 1.43 -1.26 -1.02 118.68 128.50 2kku s LEU 65 Ca 0.24 0.79 -0.15 0.00 -1.03 0.00 0.00 54.13 53.98 2kku s LEU 65 Cb -0.14 -2.81 0.05 0.00 0.03 0.00 0.00 46.19 43.31 2kku s LEU 65 CO 0.16 -0.20 0.45 -0.55 0.23 0.00 0.00 176.35 176.44 2kku s SER 66 N 1.11 -0.49 0.10 2.29 0.15 -0.51 -5.02 113.70 111.33 2kku s SER 66 Ca 0.27 0.92 0.23 0.00 0.70 0.00 0.00 55.95 58.08 2kku s SER 66 Cb -0.16 0.91 0.93 0.00 -1.71 0.00 0.00 66.02 65.99 2kku s SER 66 CO 0.10 -0.16 1.73 -0.62 1.20 0.00 0.00 173.24 175.49 2kku n GLU 67 N 3.09 0.10 -3.91 5.44 1.02 -1.26 -0.65 120.64 124.47 2kku n GLU 67 Ca -0.15 0.20 -0.35 0.00 -0.02 0.00 0.00 57.16 56.84 2kku n GLU 67 Cb 0.57 -1.65 -0.14 0.00 -0.02 0.00 0.00 31.44 30.20 2kku n GLU 67 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2kku s ASN 68 N -3.61 4.29 0.16 1.62 0.01 -1.26 -4.44 114.94 111.72 2kku s ASN 68 Ca 0.09 -0.40 0.19 0.00 -0.71 0.00 0.00 52.86 52.03 2kku s ASN 68 Cb 0.13 -1.74 0.81 0.00 0.41 0.00 0.00 41.25 40.86 2kku s ASN 68 CO 0.45 -0.02 1.57 -0.81 -1.51 0.00 0.00 177.10 176.77 2kku n PRO 69 N 4.79 0.11 0.16 -0.60 -0.04 -1.26 -2.95 135.00 135.21 2kku n PRO 69 Ca -0.18 0.40 0.07 0.00 -0.04 0.00 0.00 63.50 63.75 2kku n PRO 69 Cb 0.51 -1.74 0.07 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.97 -3.16 114.93 113.21 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 0.25 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 2kku h MET 70 CO 0.00 0.23 -0.01 1.96 1.06 0.00 0.00 176.91 180.15 2kku h GLN 71 N 0.00 0.00 0.00 1.72 4.20 -1.96 -1.99 115.11 117.08 2kku h GLN 71 Ca -0.02 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.61 2kku h GLN 71 Cb 1.21 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.98 2kku h GLN 71 CO 0.03 0.01 -0.40 0.74 -0.67 0.00 0.00 178.83 178.54 2kku h PHE 72 N 0.00 0.00 0.00 2.96 0.04 -1.74 -2.49 116.94 115.71 2kku h PHE 72 Ca -0.00 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.58 2kku h PHE 72 Cb 0.55 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.67 2kku h PHE 72 CO 0.00 0.40 -1.17 0.74 -0.60 0.00 0.00 178.31 177.68 2kku h PHE 73 N 0.00 0.00 0.06 -0.55 0.04 -1.51 0.12 116.94 115.10 2kku h PHE 73 Ca -0.00 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.53 2kku h PHE 73 Cb 1.04 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.18 2kku h PHE 73 CO 0.00 0.77 -1.06 1.05 -0.60 0.00 0.00 178.31 178.47 2kku h GLU 74 N 0.00 0.23 0.01 1.51 4.11 -1.54 -3.15 114.58 115.75 2kku h GLU 74 Ca -0.12 -0.32 -0.00 0.00 0.07 0.00 0.00 59.36 58.99 2kku h GLU 74 Cb 1.69 0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.05 2kku h GLU 74 CO 0.08 1.10 -0.00 1.15 0.07 0.00 0.00 179.01 181.40 2kku h THR 75 N 0.09 0.64 0.00 -1.06 2.02 -1.51 -3.45 112.91 109.64 2kku h THR 75 Ca -0.08 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 65.63 2kku h THR 75 Cb 1.76 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 69.38 2kku h THR 75 CO 0.17 0.22 -0.17 0.49 0.37 0.00 0.00 175.52 176.60 2kku n PHE 76 N -4.73 0.00 0.00 3.16 3.72 -0.09 -4.99 117.46 114.53 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 0.17 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 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 1.82 1.01 0.36 1.37 0.00 -0.47 -3.41 105.19 105.87 2kku n GLY 77 Ca -0.02 0.53 0.08 0.00 0.00 0.00 0.00 46.02 46.60 2kku n GLY 77 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2kku h ASP 78 N 0.00 0.64 0.91 1.61 3.58 -1.91 -2.48 116.42 118.76 2kku h ASP 78 Ca 0.00 0.01 -0.20 0.00 0.42 0.00 0.00 57.03 57.26 2kku h ASP 78 Cb 0.00 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 40.90 2kku h ASP 78 CO 0.00 0.39 -0.94 0.03 -2.88 0.00 0.00 179.24 175.85 2kku h ARG 79 N 0.71 0.02 -6.91 0.28 2.47 -1.91 -3.45 114.38 105.58 2kku h ARG 79 Ca 0.33 -0.02 -0.53 0.00 -1.26 0.00 0.00 59.98 58.50 2kku h ARG 79 Cb 0.37 0.01 0.08 0.00 -1.65 0.00 0.00 29.97 28.77 2kku h ARG 79 CO -0.12 0.94 0.66 0.08 0.56 0.00 0.00 179.97 182.10 2kku s VAL 80 N -2.88 2.53 0.17 2.04 1.01 -0.94 -0.39 120.40 121.95 2kku s VAL 80 Ca 0.00 0.53 -0.14 0.00 0.00 0.00 0.00 61.98 62.37 2kku s VAL 80 Cb 0.10 -3.33 0.06 0.00 0.00 0.00 0.00 36.38 33.22 2kku s VAL 80 CO 0.81 0.11 1.79 2.19 0.00 0.00 0.00 175.10 180.00 2kku h PHE 81 N 3.12 0.45 -1.91 5.22 -0.00 -1.68 -3.43 116.94 118.70 2kku h PHE 81 Ca -0.50 0.02 -0.49 0.00 -0.00 0.00 0.00 57.97 57.00 2kku h PHE 81 Cb 1.23 -0.13 -0.04 0.00 -0.00 0.00 0.00 35.95 37.02 2kku h PHE 81 CO 0.55 0.22 -0.45 -0.48 -0.00 0.00 0.00 178.31 178.15 2kku s LEU 82 N -10.26 3.69 0.00 2.10 2.34 -1.26 -4.81 118.68 110.47 2kku s LEU 82 Ca -0.13 -0.41 0.09 0.00 0.06 0.00 0.00 54.13 53.74 2kku s LEU 82 Cb 0.13 -2.30 0.10 0.00 -0.56 0.00 0.00 46.19 43.56 2kku s LEU 82 CO 0.73 -0.30 0.82 1.07 -1.06 0.00 0.00 176.35 177.62 2kku n THR 83 N -1.36 0.00 0.17 5.48 5.66 -1.26 -4.97 114.28 118.00 2kku n THR 83 Ca -0.03 -1.90 0.02 0.00 -3.05 0.00 0.00 64.05 59.09 2kku n THR 83 Cb 0.59 -0.55 0.31 0.00 -1.55 0.00 0.00 70.33 69.13 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 -0.01 1.09 3.64 -1.99 -1.64 116.57 117.66 2kku h LYS 84 Ca -0.28 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.01 2kku h LYS 84 Cb 1.25 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 2kku h LYS 84 CO 0.38 0.43 -0.44 -0.44 -2.27 0.00 0.00 179.45 177.11 2kku h ASP 85 N 0.00 0.02 0.88 4.20 3.32 -2.00 -1.46 116.42 121.39 2kku h ASP 85 Ca -0.00 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.90 2kku h ASP 85 Cb 0.77 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 2kku h ASP 85 CO 0.06 0.47 -0.65 -0.33 -1.72 0.00 0.00 179.24 177.06 2kku h GLU 86 N 0.02 0.00 -0.12 3.56 4.39 -1.77 -2.87 114.58 117.78 2kku h GLU 86 Ca -0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 2kku h GLU 86 Cb 0.80 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.44 2kku h GLU 86 CO 0.06 0.65 -0.09 1.25 -1.16 0.00 0.00 179.01 179.72 2kku h LEU 87 N 0.00 0.29 -0.67 1.33 5.85 -0.88 -2.49 115.31 118.74 2kku h LEU 87 Ca -0.01 -0.46 -0.08 0.00 0.84 0.00 0.00 57.88 58.18 2kku h LEU 87 Cb 1.27 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 2kku h LEU 87 CO 0.08 0.68 0.11 0.07 -0.34 0.00 0.00 178.44 179.05 2kku h LYS 88 N -0.10 1.11 -0.17 1.25 5.09 -1.30 -0.82 116.57 121.63 2kku h LYS 88 Ca 0.02 -0.30 -0.12 0.00 0.09 0.00 0.00 60.65 60.35 2kku h LYS 88 Cb 0.59 -0.13 -0.01 0.00 0.10 0.00 0.00 32.23 32.78 2kku h LYS 88 CO 0.02 1.01 -0.41 1.05 -2.09 0.00 0.00 179.45 179.03 2kku h GLU 89 N 1.04 0.38 -0.45 0.07 4.11 -1.61 -1.00 114.58 117.12 2kku h GLU 89 Ca 0.21 -0.19 -0.02 0.00 0.07 0.00 0.00 59.36 59.42 2kku h GLU 89 Cb 0.44 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2kku h GLU 89 CO 0.01 0.73 0.19 -0.92 0.07 0.00 0.00 179.01 179.10 2kku h TYR 90 N 0.32 0.67 0.04 2.06 3.20 -0.95 -0.82 116.97 121.49 2kku h TYR 90 Ca 0.03 -0.05 -0.24 0.00 3.14 0.00 0.00 58.73 61.61 2kku h TYR 90 Cb 0.87 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.94 2kku h TYR 90 CO 0.02 0.57 -1.03 0.52 -1.64 0.00 0.00 178.16 176.60 2kku h MET 91 N 0.58 0.37 0.00 1.82 2.86 -1.06 -2.88 114.93 116.63 2kku h MET 91 Ca 0.15 -0.46 -0.04 0.00 -2.06 0.00 0.00 59.70 57.30 2kku h MET 91 Cb 0.17 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 2kku h MET 91 CO -0.01 1.14 -0.19 0.87 1.06 0.00 0.00 176.91 179.78 2kku h LYS 92 N 0.18 0.00 -0.05 1.72 1.79 -1.19 -2.41 116.57 116.62 2kku h LYS 92 Ca -0.10 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.26 2kku h LYS 92 Cb 1.69 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.33 2kku h LYS 92 CO 0.18 0.19 -0.47 1.03 -1.08 0.00 0.00 179.45 179.30 2kku h SER 93 N 0.00 0.14 1.21 0.86 0.87 -0.94 -3.04 113.55 112.64 2kku h SER 93 Ca -0.00 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2kku h SER 93 Cb 0.64 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 2kku h SER 93 CO 0.02 0.59 0.00 0.00 -0.53 0.00 0.00 176.83 176.91 2kku n GLN 94 N -3.98 0.19 -0.09 2.24 1.13 -0.91 -1.23 117.38 114.73 2kku n GLN 94 Ca -0.02 0.21 -0.08 0.00 -1.94 0.00 0.00 57.00 55.17 2kku n GLN 94 Cb 0.50 -1.74 -0.14 0.00 0.11 0.00 0.00 30.24 28.97 2kku n GLN 94 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 2kku n GLU 95 N -2.08 1.08 -0.01 -1.09 0.28 -1.22 -3.55 120.64 114.07 2kku n GLU 95 Ca 0.05 -0.01 0.08 0.00 -0.16 0.00 0.00 57.16 57.12 2kku n GLU 95 Cb 0.37 -1.46 -0.12 0.00 1.43 0.00 0.00 31.44 31.66 2kku n GLU 95 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 2kku n ARG 96 N -2.64 0.48 -0.01 3.44 1.85 -1.15 -3.18 116.66 115.45 2kku n ARG 96 Ca -0.28 -0.14 -0.01 0.00 -1.00 0.00 0.00 57.85 56.42 2kku n ARG 96 Cb 1.06 -1.37 -0.02 0.00 -1.05 0.00 0.00 32.46 31.09 2kku n ARG 96 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 2kku n TRP 97 N -2.04 0.00 -0.45 2.89 7.02 -0.37 -4.69 117.44 119.80 2kku n TRP 97 Ca -0.03 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.32 2kku n TRP 97 Cb 0.41 -0.10 0.14 0.00 -2.42 0.00 0.00 31.31 29.34 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 2.89 3.50 0.54 6.99 0.00 -0.47 -5.00 105.19 113.64 2kku n GLY 98 Ca -0.03 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2kku n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kku n ARG 99 N -0.46 -1.42 -1.06 1.61 1.74 -1.25 -4.66 116.66 111.17 2kku n ARG 99 Ca 0.37 1.10 -0.19 0.00 -0.77 0.00 0.00 57.85 58.35 2kku n ARG 99 Cb 1.23 -1.36 0.14 0.00 -1.02 0.00 0.00 32.46 31.45 2kku n ARG 99 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 2kku n ARG 100 N -1.83 -1.36 -1.99 5.56 1.85 -1.19 -4.27 116.66 113.43 2kku n ARG 100 Ca 0.00 -1.28 -0.01 0.00 -1.00 0.00 0.00 57.85 55.57 2kku n ARG 100 Cb 0.16 -0.95 -0.01 0.00 -1.05 0.00 0.00 32.46 30.61 2kku n ARG 100 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 2kku n ARG 101 N -3.12 -1.62 -1.37 2.89 0.00 -1.26 -5.06 116.66 107.12 2kku n ARG 101 Ca 0.11 1.55 -0.16 0.00 -0.00 0.00 0.00 57.85 59.35 2kku n ARG 101 Cb 0.38 -2.79 0.10 0.00 0.00 0.00 0.00 32.46 30.15 2kku n ARG 101 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2kku n GLU 102 N 0.43 -0.40 -3.91 -0.14 0.00 -1.26 -5.12 120.64 110.24 2kku n GLU 102 Ca -0.06 -1.37 -0.10 0.00 0.00 0.00 0.00 57.16 55.63 2kku n GLU 102 Cb 0.09 -0.65 -0.10 0.00 0.00 0.00 0.00 31.44 30.78 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 -3.69 0.11 0.50 4.31 1.04 -1.26 -5.03 113.70 109.68 2kku s SER 103 Ca 0.42 -0.33 0.29 0.00 0.48 0.00 0.00 55.95 56.81 2kku s SER 103 Cb -0.02 0.17 1.19 0.00 0.10 0.00 0.00 66.02 67.46 2kku s SER 103 CO 0.29 -0.35 1.93 0.11 0.98 0.00 0.00 173.24 176.20 2kku h LYS 104 N 4.39 0.00 -7.17 4.02 1.79 -2.09 -3.45 116.57 114.06 2kku h LYS 104 Ca -0.31 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.64 2kku h LYS 104 Cb 1.20 0.00 0.11 0.00 -1.58 0.00 0.00 32.23 31.96 2kku h LYS 104 CO 0.41 0.11 0.40 0.21 -1.08 0.00 0.00 179.45 179.49 2kku s LYS 105 N -3.71 2.77 0.08 3.15 2.47 -1.26 -5.08 119.74 118.16 2kku s LYS 105 Ca 0.01 1.55 0.00 0.00 -1.56 0.00 0.00 55.97 55.97 2kku s LYS 105 Cb 0.10 -1.93 0.00 0.00 -1.46 0.00 0.00 37.83 34.54 2kku s LYS 105 CO 0.59 -1.30 0.04 0.36 0.16 0.00 0.00 175.35 175.19 2kku n LYS 106 N -2.21 1.52 -4.15 4.03 0.00 -1.26 -5.17 118.16 110.93 2kku n LYS 106 Ca 0.12 -0.51 -0.15 0.00 -0.00 0.00 0.00 58.31 57.76 2kku n LYS 106 Cb 0.51 0.08 -0.13 0.00 -0.00 0.00 0.00 35.03 35.49 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 -2.31 0.52 -0.71 -1.58 2.36 -1.26 -5.10 119.74 111.67 2kku s LYS 107 Ca 0.03 -0.47 -0.27 0.00 -2.55 0.00 0.00 55.97 52.71 2kku s LYS 107 Cb -0.00 -0.42 0.02 0.00 -1.05 0.00 0.00 37.83 36.38 2kku s LYS 107 CO 0.02 0.10 1.40 -1.17 1.55 0.00 0.00 175.35 177.25 2kku s LEU 108 N -0.79 3.20 0.56 5.43 1.98 -1.26 -4.27 118.68 123.53 2kku s LEU 108 Ca -0.03 -0.26 -0.09 0.00 -2.89 0.00 0.00 54.13 50.87 2kku s LEU 108 Cb -0.06 -2.58 -0.04 0.00 0.66 0.00 0.00 46.19 44.17 2kku s LEU 108 CO 0.00 -1.94 0.93 0.26 -1.89 0.00 0.00 176.35 173.71 2kku s TRP 109 N 6.43 3.60 -0.06 5.38 0.52 0.18 -2.83 118.94 132.15 2kku s TRP 109 Ca 0.42 1.11 -0.03 0.00 0.02 0.00 0.00 56.10 57.62 2kku s TRP 109 Cb -0.09 -2.56 0.04 0.00 -1.15 0.00 0.00 33.47 29.71 2kku s TRP 109 CO 0.17 -0.51 0.14 0.00 0.02 0.00 0.00 176.95 176.77 2kku s MET 110 N -4.94 0.09 -0.45 4.98 0.23 0.23 -1.42 119.30 118.02 2kku s MET 110 Ca 0.52 0.34 -0.10 0.00 -1.03 0.00 0.00 55.69 55.43 2kku s MET 110 Cb -0.11 -0.16 0.10 0.00 -1.53 0.00 0.00 34.83 33.13 2kku s MET 110 CO 0.49 -0.15 0.31 0.00 -2.03 0.00 0.00 175.02 173.64 2kku s ALA 111 N 1.06 3.36 -0.06 3.16 0.00 -0.19 -1.25 121.76 127.84 2kku s ALA 111 Ca -0.08 -2.33 -0.29 0.00 0.00 0.00 0.00 51.96 49.26 2kku s ALA 111 Cb -0.11 -2.77 -0.02 0.00 0.00 0.00 0.00 23.12 20.22 2kku s ALA 111 CO -0.05 -1.78 0.94 0.42 0.00 0.00 0.00 175.76 175.29 2kku s ILE 112 N 1.41 4.87 -0.16 0.00 1.01 -0.36 -1.24 121.20 126.73 2kku s ILE 112 Ca 0.04 1.94 -0.28 0.00 0.00 0.00 0.00 60.65 62.35 2kku s ILE 112 Cb -0.25 -4.27 -0.01 0.00 0.01 0.00 0.00 42.46 37.95 2kku s ILE 112 CO 0.01 0.11 0.95 -0.70 0.00 0.00 0.00 174.94 175.31 2kku s GLU 113 N 1.42 4.34 -0.18 2.79 2.12 -0.73 -1.51 118.70 126.95 2kku s GLU 113 Ca 0.48 1.25 -0.06 0.00 0.36 0.00 0.00 54.97 56.99 2kku s GLU 113 Cb -0.19 -3.58 -0.04 0.00 0.26 0.00 0.00 34.13 30.58 2kku s GLU 113 CO 0.22 -0.40 0.04 -0.51 -0.54 0.00 0.00 175.26 174.07 2kku s LEU 114 N 2.35 3.64 0.29 2.70 2.01 0.21 -0.05 118.68 129.83 2kku s LEU 114 Ca 0.44 0.00 0.04 0.00 0.01 0.00 0.00 54.13 54.62 2kku s LEU 114 Cb -0.17 -1.91 -0.03 0.00 0.01 0.00 0.00 46.19 44.08 2kku s LEU 114 CO 0.13 0.16 0.20 -1.83 1.01 0.00 0.00 176.35 176.02 2kku s GLU 115 N 0.47 1.56 -1.48 1.70 -1.05 -0.89 -1.51 118.70 117.49 2kku s GLU 115 Ca 0.01 -1.88 -0.07 0.00 -0.15 0.00 0.00 54.97 52.88 2kku s GLU 115 Cb -0.13 0.17 0.02 0.00 -0.44 0.00 0.00 34.13 33.76 2kku s GLU 115 CO 0.01 -0.52 0.72 -3.47 0.95 0.00 0.00 175.26 172.95 2kku n ASP 116 N -1.01 -5.69 -4.58 0.83 2.03 -1.26 -0.90 116.55 105.97 2kku n ASP 116 Ca 0.04 -0.39 -0.41 0.00 0.52 0.00 0.00 54.79 54.55 2kku n ASP 116 Cb 0.64 -4.58 -0.03 0.00 -0.72 0.00 0.00 41.12 36.43 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 -3.17 3.59 0.55 5.18 1.01 -1.25 -4.41 120.40 121.90 2kku s VAL 117 Ca 0.40 0.50 -0.08 0.00 0.00 0.00 0.00 61.98 62.80 2kku s VAL 117 Cb -0.18 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 2kku s VAL 117 CO 0.49 -0.87 0.91 -0.75 0.00 0.00 0.00 175.10 174.88 2kku s LYS 118 N 5.96 3.54 -0.17 2.72 2.47 0.13 -4.94 119.74 129.44 2kku s LYS 118 Ca 0.64 0.46 0.00 0.00 -1.56 0.00 0.00 55.97 55.52 2kku s LYS 118 Cb -0.14 -2.22 0.01 0.00 -1.46 0.00 0.00 37.83 34.01 2kku s LYS 118 CO 0.26 -0.41 -0.16 0.15 0.16 0.00 0.00 175.35 175.35 2kku s LYS 119 N -4.97 3.14 -1.08 4.03 -0.14 -1.26 -1.70 119.74 117.76 2kku s LYS 119 Ca 0.51 -0.78 -0.11 0.00 -1.36 0.00 0.00 55.97 54.23 2kku s LYS 119 Cb -0.11 -2.62 0.24 0.00 -1.68 0.00 0.00 37.83 33.66 2kku s LYS 119 CO 0.49 -0.08 1.13 0.71 -0.76 0.00 0.00 175.35 176.85 2kku s TYR 120 N 1.03 3.96 0.31 3.18 1.51 -0.53 -4.82 117.35 121.99 2kku s TYR 120 Ca -0.01 -2.39 0.25 0.00 -1.01 0.00 0.00 57.07 53.91 2kku s TYR 120 Cb -0.15 -3.97 1.21 0.00 -0.11 0.00 0.00 41.96 38.95 2kku s TYR 120 CO -0.04 -1.09 1.96 -0.44 -1.11 0.00 0.00 175.55 174.83 2kku h ASP 121 N 7.07 0.00 -3.63 2.29 5.19 -1.85 -3.38 116.42 122.11 2kku h ASP 121 Ca 0.20 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 56.10 2kku h ASP 121 Cb 0.91 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.39 2kku h ASP 121 CO 1.03 0.18 0.27 -1.59 -3.12 0.00 0.00 179.24 176.01 2kku s LYS 122 N -3.98 4.72 -1.45 3.56 -2.85 -1.26 -5.00 119.74 113.47 2kku s LYS 122 Ca -0.02 1.33 -0.11 0.00 -1.00 0.00 0.00 55.97 56.18 2kku s LYS 122 Cb 0.12 -3.28 0.04 0.00 -2.06 0.00 0.00 37.83 32.65 2kku s LYS 122 CO 0.61 0.51 2.38 -0.35 0.10 0.00 0.00 175.35 178.61 2kku n PRO 123 N 1.67 3.48 -2.48 1.78 -0.04 -1.26 -4.64 135.00 133.52 2kku n PRO 123 Ca -0.03 -2.79 -0.43 0.00 -0.04 0.00 0.00 63.50 60.20 2kku n PRO 123 Cb 0.48 -2.99 -0.02 0.00 -0.04 0.00 0.00 33.50 30.93 2kku n PRO 123 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2kku s ILE 124 N 1.75 4.20 0.42 0.52 1.01 -1.26 -4.54 121.20 123.31 2kku s ILE 124 Ca 0.53 1.34 -0.24 0.00 0.00 0.00 0.00 60.65 62.27 2kku s ILE 124 Cb 0.15 -4.26 -0.08 0.00 0.01 0.00 0.00 42.46 38.28 2kku s ILE 124 CO -0.06 -0.56 1.14 -0.54 0.00 0.00 0.00 174.94 174.92 2kku s LYS 125 N 4.16 3.97 0.69 2.79 3.01 -1.26 -1.25 119.74 131.85 2kku s LYS 125 Ca 0.54 1.74 -0.15 0.00 -1.01 0.00 0.00 55.97 57.09 2kku s LYS 125 Cb -0.14 -2.55 0.01 0.00 -1.01 0.00 0.00 37.83 34.14 2kku s LYS 125 CO 0.23 -0.36 1.13 -1.25 0.51 0.00 0.00 175.35 175.61 2kku s PRO 126 N -2.49 2.59 0.33 -1.68 0.04 -1.26 -4.92 135.00 127.61 2kku s PRO 126 Ca 0.60 1.46 0.10 0.00 0.04 0.00 0.00 61.00 63.20 2kku s PRO 126 Cb -0.28 -1.92 0.59 0.00 0.04 0.00 0.00 34.50 32.94 2kku s PRO 126 CO 0.34 -1.43 1.77 -0.22 0.04 0.00 0.00 177.00 177.50 2kku h LYS 127 N -0.14 0.11 -5.30 4.56 3.11 -2.01 -3.45 116.57 113.44 2kku h LYS 127 Ca -0.47 -0.05 -0.41 0.00 -2.81 0.00 0.00 60.65 56.92 2kku h LYS 127 Cb 1.26 -0.00 -0.14 0.00 -1.00 0.00 0.00 32.23 32.34 2kku h LYS 127 CO 0.53 0.49 -0.70 -0.98 -2.81 0.00 0.00 179.45 175.97 2kku s ARG 128 N -4.16 1.30 -0.15 1.90 1.70 -1.26 -5.12 118.95 113.15 2kku s ARG 128 Ca -0.03 -1.61 -0.29 0.00 -0.47 0.00 0.00 55.73 53.32 2kku s ARG 128 Cb 0.14 -0.87 -0.01 0.00 -0.57 0.00 0.00 34.95 33.64 2kku s ARG 128 CO 0.75 0.06 1.15 -1.17 -1.08 0.00 0.00 175.30 175.01 2kku s LEU 129 N -3.30 4.19 -0.46 -1.89 1.98 -1.26 -5.01 118.68 112.93 2kku s LEU 129 Ca 0.24 1.61 -0.08 0.00 -2.89 0.00 0.00 54.13 53.00 2kku s LEU 129 Cb 0.03 -3.55 0.12 0.00 0.66 0.00 0.00 46.19 43.45 2kku s LEU 129 CO 0.06 -0.65 0.33 -0.69 -1.89 0.00 0.00 176.35 173.51 2kku s VAL 130 N 2.93 4.08 0.68 1.68 1.01 -1.26 -4.88 120.40 124.65 2kku s VAL 130 Ca 0.51 -1.82 -0.11 0.00 0.00 0.00 0.00 61.98 60.56 2kku s VAL 130 Cb -0.20 -3.70 0.16 0.00 0.00 0.00 0.00 36.38 32.63 2kku s VAL 130 CO 0.14 -0.76 0.93 -0.81 0.00 0.00 0.00 175.10 174.60 2kku n PRO 131 N 4.87 -0.86 0.09 2.72 -0.04 -1.26 -4.73 135.00 135.79 2kku n PRO 131 Ca -0.07 -1.49 0.12 0.00 -0.04 0.00 0.00 63.50 62.02 2kku n PRO 131 Cb 0.41 -0.94 0.60 0.00 -0.04 0.00 0.00 33.50 33.53 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 -1.48 0.92 0.00 0.52 3.04 -1.99 -1.34 116.25 115.92 2kku h VAL 132 Ca -0.30 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 2kku h VAL 132 Cb 0.84 0.76 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 2kku h VAL 132 CO 0.22 0.03 0.00 1.23 -1.01 0.00 0.00 177.57 178.03 2kku h GLY 133 N 0.15 0.00 0.00 3.17 0.00 -1.97 -3.45 103.07 100.97 2kku h GLY 133 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2kku h GLY 133 CO -0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.13 2kku n GLY 134 N -0.19 -2.75 3.71 4.60 0.00 -0.50 -4.99 105.19 105.08 2kku n GLY 134 Ca 0.00 -1.21 -0.24 0.00 0.00 0.00 0.00 46.02 44.56 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 -5.53 2.55 -0.09 1.61 -1.52 -0.56 -4.91 119.66 111.22 2kku s GLN 135 Ca 0.00 -1.17 -0.23 0.00 -1.95 0.00 0.00 55.36 52.02 2kku s GLN 135 Cb 0.00 -2.38 -0.04 0.00 -0.22 0.00 0.00 33.01 30.38 2kku s GLN 135 CO 0.00 0.42 0.67 0.71 -0.25 0.00 0.00 175.29 176.84 2kku s TYR 136 N -2.02 3.54 -0.18 0.91 2.02 -1.26 -0.83 117.35 119.54 2kku s TYR 136 Ca 0.30 1.18 -0.19 0.00 -0.37 0.00 0.00 57.07 57.99 2kku s TYR 136 Cb -0.08 -2.78 -0.03 0.00 -0.40 0.00 0.00 41.96 38.66 2kku s TYR 136 CO 0.21 0.06 0.56 -1.17 -1.57 0.00 0.00 175.55 173.64 2kku s LEU 137 N 0.94 4.17 0.02 -1.29 0.20 -0.75 -4.88 118.68 117.10 2kku s LEU 137 Ca 0.35 0.78 0.03 0.00 0.69 0.00 0.00 54.13 55.98 2kku s LEU 137 Cb -0.17 -2.79 -0.01 0.00 -0.43 0.00 0.00 46.19 42.79 2kku s LEU 137 CO 0.16 -0.18 -0.09 0.00 -0.29 0.00 0.00 176.35 175.96 2kku s ARG 138 N 1.53 0.61 0.00 1.98 3.03 -1.26 -1.19 118.95 123.65 2kku s ARG 138 Ca 0.27 -0.51 0.17 0.00 2.03 0.00 0.00 55.73 57.69 2kku s ARG 138 Cb -0.16 -0.53 0.14 0.00 -1.03 0.00 0.00 34.95 33.37 2kku s ARG 138 CO 0.10 0.13 1.05 -1.91 -1.13 0.00 0.00 175.30 173.54