#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kku n SER 2 N 0.00 0.00 0.27 7.83 7.64 -1.26 -2.25 113.62 125.85 2kku n SER 2 Ca 0.00 0.36 0.13 0.00 1.01 0.00 0.00 58.87 60.37 2kku n SER 2 Cb 0.00 -0.42 0.79 0.00 -1.01 0.00 0.00 64.21 63.57 2kku n SER 2 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2kku h LYS 3 N 0.00 0.00 0.00 1.43 2.10 -1.99 -3.49 116.57 114.62 2kku h LYS 3 Ca 0.00 0.00 0.18 0.00 -2.00 0.00 0.00 60.65 58.83 2kku h LYS 3 Cb 0.15 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.44 2kku h LYS 3 CO 0.00 0.08 -0.24 -0.89 -2.00 0.00 0.00 179.45 176.39 2kku n ILE 4 N -3.76 0.00 0.00 0.07 2.08 -0.96 -4.93 119.36 111.87 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 0.18 -0.23 0.00 0.00 -0.75 0.00 0.00 39.64 38.84 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 -2.67 0.00 -2.66 1.39 0.24 -0.71 -2.98 118.33 110.94 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 0.31 -0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.60 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 0.61 1.73 3.47 7.63 0.00 -0.51 -1.27 105.19 116.86 2kku n GLY 6 Ca 0.00 -0.71 -0.24 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.49 2.23 -0.01 1.61 0.11 -0.69 -1.35 120.40 119.81 2kku s VAL 7 Ca 0.00 -2.30 0.01 0.00 -2.93 0.00 0.00 61.98 56.76 2kku s VAL 7 Cb 0.00 -2.39 0.00 0.00 -1.53 0.00 0.00 36.38 32.46 2kku s VAL 7 CO 0.00 -0.35 -0.03 0.28 -3.33 0.00 0.00 175.10 171.67 2kku s THR 8 N -2.65 0.26 0.05 5.04 -1.32 -0.15 -1.51 115.64 115.36 2kku s THR 8 Ca 0.30 -0.12 0.02 0.00 -1.21 0.00 0.00 61.69 60.68 2kku s THR 8 Cb -0.01 -0.24 -0.02 0.00 -1.51 0.00 0.00 72.50 70.71 2kku s THR 8 CO 0.14 0.08 -0.08 -0.31 -2.21 0.00 0.00 174.62 172.24 2kku s TYR 9 N 0.05 0.73 -0.95 9.09 1.51 -0.95 -1.53 117.35 125.30 2kku s TYR 9 Ca -0.00 -0.50 0.28 0.00 -1.01 0.00 0.00 57.07 55.84 2kku s TYR 9 Cb -0.03 -0.43 1.13 0.00 -0.11 0.00 0.00 41.96 42.52 2kku s TYR 9 CO -0.00 -0.07 1.87 -0.35 -1.11 0.00 0.00 175.55 175.89 2kku n PRO 10 N 1.43 0.05 -2.63 -1.71 -0.04 -1.26 -1.48 135.00 129.36 2kku n PRO 10 Ca -0.23 0.04 -0.05 0.00 -0.04 0.00 0.00 63.50 63.22 2kku n PRO 10 Cb 0.55 -1.55 -0.04 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.63-12.79 0.27 0.52 2.08 -1.26 -4.62 119.36 101.93 2kku n ILE 11 Ca 0.07 2.62 -0.04 0.00 0.56 0.00 0.00 62.75 65.96 2kku n ILE 11 Cb 0.36 -6.64 0.02 0.00 -0.75 0.00 0.00 39.64 32.63 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 1.53 1.18 -4.16 0.38 -0.04 -1.26 -4.83 135.00 127.80 2kku n PRO 12 Ca -0.35 -0.41 -0.10 0.00 -0.04 0.00 0.00 63.50 62.60 2kku n PRO 12 Cb 0.54 -1.16 -0.10 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.46 0.86 0.26 0.54 -0.14 -1.26 -5.06 119.74 114.49 2kku s LYS 13 Ca 0.08 -1.37 0.26 0.00 -1.36 0.00 0.00 55.97 53.57 2kku s LYS 13 Cb 0.06 -0.03 0.79 0.00 -1.68 0.00 0.00 37.83 36.97 2kku s LYS 13 CO 0.01 -0.11 1.75 0.00 -0.76 0.00 0.00 175.35 176.24 2kku h ARG 14 N 2.93 0.00 -1.08 1.68 -0.00 -1.99 -3.22 114.38 112.69 2kku h ARG 14 Ca -0.35 0.00 -0.29 0.00 -0.50 0.00 0.00 59.98 58.84 2kku h ARG 14 Cb 1.17 0.00 -0.16 0.00 0.00 0.00 0.00 29.97 30.98 2kku h ARG 14 CO 0.63 0.00 0.37 1.19 0.00 0.00 0.00 179.97 182.16 2kku n PHE 15 N -2.41 1.63 0.30 3.04 3.72 -1.26 -4.23 117.46 118.24 2kku n PHE 15 Ca 0.05 -1.36 0.18 0.00 -0.05 0.00 0.00 57.45 56.27 2kku n PHE 15 Cb 0.41 -0.68 1.00 0.00 -0.94 0.00 0.00 39.48 39.27 2kku n PHE 15 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kku h MET 16 N 0.70 0.00 0.00 -1.08 -0.00 -1.90 -2.88 114.93 109.77 2kku h MET 16 Ca 0.33 0.00 -0.14 0.00 -0.00 0.00 0.00 59.70 59.90 2kku h MET 16 Cb 1.80 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 33.38 2kku h MET 16 CO 0.63 0.00 -0.65 0.22 -0.00 0.00 0.00 176.91 177.10 2kku h ASP 17 N 0.00 0.00 -0.56 -0.10 3.58 -1.92 -3.37 116.42 114.05 2kku h ASP 17 Ca 0.02 0.00 0.11 0.00 0.42 0.00 0.00 57.03 57.58 2kku h ASP 17 Cb 0.16 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 41.11 2kku h ASP 17 CO -0.00 0.65 -0.03 0.03 -2.88 0.00 0.00 179.24 177.02 2kku h ARG 18 N 0.00 0.09 0.00 0.28 2.47 -1.85 0.21 114.38 115.58 2kku h ARG 18 Ca -0.01 -0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.67 2kku h ARG 18 Cb 1.38 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.67 2kku h ARG 18 CO 0.08 0.06 -0.18 0.74 0.56 0.00 0.00 179.97 181.23 2kku h PHE 19 N 0.09 0.00 0.00 3.04 -1.00 -1.80 -2.38 116.94 114.90 2kku h PHE 19 Ca 0.28 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.06 2kku h PHE 19 Cb 0.44 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.00 2kku h PHE 19 CO -0.36 0.18 -1.06 1.19 -1.61 0.00 0.00 178.31 176.65 2kku n PHE 20 N -4.24 0.08 -0.05 -0.55 3.72 -0.24 -1.73 117.46 114.44 2kku n PHE 20 Ca -0.02 0.02 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 2kku n PHE 20 Cb 0.25 -0.23 -0.12 0.00 -0.94 0.00 0.00 39.48 38.44 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 -0.14 -3.39 116.57 115.06 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 0.63 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.86 2kku h LYS 21 CO 0.00 0.79 -1.15 0.36 -2.81 0.00 0.00 179.45 176.63 2kku n LYS 22 N -4.71 1.46 -0.98 1.90 2.85 -1.05 -5.01 118.16 112.63 2kku n LYS 22 Ca -0.09 -0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.10 2kku n LYS 22 Cb 0.39 -1.19 0.00 0.00 -0.65 0.00 0.00 35.03 33.58 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 1.61 0.35 3.13 2.58 0.00 -0.71 -4.92 105.19 107.23 2kku n GLY 23 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.68 0.64 0.28 1.61 -2.85 -1.25 -1.78 119.74 115.70 2kku s LYS 24 Ca 0.00 -0.06 0.04 0.00 -1.00 0.00 0.00 55.97 54.95 2kku s LYS 24 Cb 0.00 0.11 -0.01 0.00 -2.06 0.00 0.00 37.83 35.87 2kku s LYS 24 CO 0.00 -0.97 0.13 -3.47 0.10 0.00 0.00 175.35 171.14 2kku n ASP 25 N 4.53 0.67 -3.76 0.03 2.03 -0.30 -4.93 116.55 114.81 2kku n ASP 25 Ca 0.09 -2.56 -0.22 0.00 0.52 0.00 0.00 54.79 52.62 2kku n ASP 25 Cb 0.57 0.87 -0.17 0.00 -0.72 0.00 0.00 41.12 41.67 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 -2.74 0.28 -0.32 5.18 1.01 0.25 -0.10 120.40 123.96 2kku s VAL 26 Ca 0.19 0.16 -0.17 0.00 0.00 0.00 0.00 61.98 62.16 2kku s VAL 26 Cb 0.01 -0.45 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 2kku s VAL 26 CO 0.13 0.24 0.46 0.12 0.00 0.00 0.00 175.10 176.05 2kku s PHE 27 N 1.89 3.21 -0.03 5.22 5.36 0.08 -1.18 117.98 132.53 2kku s PHE 27 Ca 0.03 0.23 -0.07 0.00 -0.96 0.00 0.00 56.93 56.17 2kku s PHE 27 Cb -0.12 -2.78 -0.05 0.00 -0.34 0.00 0.00 43.02 39.73 2kku s PHE 27 CO -0.04 -0.43 0.23 0.14 -1.46 0.00 0.00 175.22 173.66 2kku s VAL 28 N 2.25 5.35 -0.00 3.12 -7.23 -1.26 -0.93 120.40 121.70 2kku s VAL 28 Ca 0.17 0.18 0.01 0.00 -1.81 0.00 0.00 61.98 60.53 2kku s VAL 28 Cb -0.16 -3.53 -0.00 0.00 0.56 0.00 0.00 36.38 33.25 2kku s VAL 28 CO 0.12 0.44 -0.05 -0.75 -0.31 0.00 0.00 175.10 174.55 2kku s LYS 29 N -1.55 0.36 -0.99 4.82 2.47 -0.45 -5.00 119.74 119.42 2kku s LYS 29 Ca 0.24 -0.19 -0.06 0.00 -1.56 0.00 0.00 55.97 54.40 2kku s LYS 29 Cb -0.13 -0.34 -0.06 0.00 -1.46 0.00 0.00 37.83 35.84 2kku s LYS 29 CO 0.13 0.09 2.26 -0.35 0.16 0.00 0.00 175.35 177.64 2kku n PRO 30 N 2.89 2.30 -3.11 4.03 -0.04 -1.26 -0.80 135.00 139.03 2kku n PRO 30 Ca -0.13 -1.53 -0.19 0.00 -0.04 0.00 0.00 63.50 61.60 2kku n PRO 30 Cb 0.58 -2.48 -0.00 0.00 -0.04 0.00 0.00 33.50 31.56 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 4.03 -0.99 0.34 0.55 0.00 -1.05 -4.84 120.51 118.55 2kku n ALA 31 Ca 0.49 0.08 0.12 0.00 0.00 0.00 0.00 53.44 54.13 2kku n ALA 31 Cb 0.17 -2.35 0.11 0.00 0.00 0.00 0.00 19.45 17.38 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 -0.69 0.00 -3.61 0.00 2.02 -1.89 -3.46 112.91 105.27 2kku h THR 32 Ca -0.37 -0.76 -0.51 0.00 0.77 0.00 0.00 66.41 65.53 2kku h THR 32 Cb 1.26 1.39 -0.03 0.00 -1.74 0.00 0.00 68.15 69.03 2kku h THR 32 CO 0.46 0.00 0.02 -0.69 0.37 0.00 0.00 175.52 175.68 2kku s VAL 33 N -3.25 4.78 1.13 3.16 1.01 -1.26 -5.09 120.40 120.88 2kku s VAL 33 Ca 0.04 0.75 -0.17 0.00 0.00 0.00 0.00 61.98 62.60 2kku s VAL 33 Cb 0.11 -3.62 0.25 0.00 0.00 0.00 0.00 36.38 33.12 2kku s VAL 33 CO 0.74 -0.16 1.11 0.26 0.00 0.00 0.00 175.10 177.04 2kku s TRP 34 N -1.95 1.09 -1.86 5.22 0.51 -1.26 -4.94 118.94 115.74 2kku s TRP 34 Ca 0.51 0.66 0.27 0.00 -2.12 0.00 0.00 56.10 55.42 2kku s TRP 34 Cb -0.11 -3.40 1.54 0.00 -0.81 0.00 0.00 33.47 30.70 2kku s TRP 34 CO 0.20 -3.52 1.94 1.63 -0.51 0.00 0.00 176.95 176.69 2kku n LYS 35 N -4.54 0.73 0.27 4.98 5.02 -1.26 -2.91 118.16 120.45 2kku n LYS 35 Ca 0.10 0.01 0.14 0.00 -2.02 0.00 0.00 58.31 56.54 2kku n LYS 35 Cb 0.59 -1.50 0.75 0.00 -0.02 0.00 0.00 35.03 34.85 2kku n LYS 35 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2kku h GLU 36 N 0.00 0.00 -5.94 1.97 3.07 -2.02 -3.42 114.58 108.24 2kku h GLU 36 Ca 0.00 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.34 2kku h GLU 36 Cb 0.06 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.95 2kku h GLU 36 CO 0.00 0.10 1.43 -1.17 -1.40 0.00 0.00 179.01 177.97 2kku s LEU 37 N -6.96 3.39 0.08 1.33 1.98 -1.15 -4.97 118.68 112.39 2kku s LEU 37 Ca -0.02 0.94 0.06 0.00 -2.89 0.00 0.00 54.13 52.21 2kku s LEU 37 Cb 0.12 -2.85 -0.03 0.00 0.66 0.00 0.00 46.19 44.09 2kku s LEU 37 CO 0.56 -2.33 -0.15 -1.59 -1.89 0.00 0.00 176.35 170.95 2kku s LYS 38 N 7.02 0.88 -0.40 1.98 0.00 -1.26 -5.05 119.74 122.90 2kku s LYS 38 Ca 0.83 -1.02 -0.28 0.00 0.00 0.00 0.00 55.97 55.49 2kku s LYS 38 Cb -0.18 -0.89 -0.01 0.00 0.00 0.00 0.00 37.83 36.74 2kku s LYS 38 CO 0.27 0.19 1.73 -1.25 0.00 0.00 0.00 175.35 176.29 2kku s PRO 39 N -1.92 3.24 0.00 1.78 0.04 -1.26 -3.03 135.00 133.85 2kku s PRO 39 Ca 0.01 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.20 2kku s PRO 39 Cb -0.09 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.25 2kku s PRO 39 CO 0.03 -1.98 0.00 0.41 0.04 0.00 0.00 177.00 175.50 2kku n GLY 40 N 5.41 0.52 1.25 0.56 0.00 -0.04 -4.92 105.19 107.97 2kku n GLY 40 Ca 0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 2kku n GLY 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2kku n MET 41 N 0.00 -0.60 -4.20 1.61 2.81 -1.17 -4.81 117.12 110.76 2kku n MET 41 Ca 0.00 -0.66 -0.23 0.00 -1.81 0.00 0.00 57.70 55.00 2kku n MET 41 Cb 0.00 -0.46 -0.07 0.00 -0.71 0.00 0.00 33.22 31.98 2kku n MET 41 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2kku s LYS 42 N -3.94 2.35 -0.27 0.03 -2.85 -0.40 -0.48 119.74 114.18 2kku s LYS 42 Ca 0.25 -1.48 -0.02 0.00 -1.00 0.00 0.00 55.97 53.71 2kku s LYS 42 Cb -0.01 -2.17 0.09 0.00 -2.06 0.00 0.00 37.83 33.68 2kku s LYS 42 CO 0.17 0.23 0.09 0.12 0.10 0.00 0.00 175.35 176.07 2kku s PHE 43 N -2.38 1.03 -0.11 1.78 2.19 -0.58 -1.71 117.98 118.21 2kku s PHE 43 Ca 0.35 -1.19 -0.27 0.00 0.33 0.00 0.00 56.93 56.15 2kku s PHE 43 Cb -0.04 -1.25 -0.02 0.00 -1.31 0.00 0.00 43.02 40.40 2kku s PHE 43 CO 0.21 -0.78 0.88 0.08 1.83 0.00 0.00 175.22 177.43 2kku s VAL 44 N 1.85 4.88 -0.39 3.12 1.01 -0.57 -0.43 120.40 129.88 2kku s VAL 44 Ca 0.07 1.77 -0.16 0.00 0.00 0.00 0.00 61.98 63.66 2kku s VAL 44 Cb -0.17 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 32.03 2kku s VAL 44 CO -0.24 0.08 0.38 -0.36 0.00 0.00 0.00 175.10 174.96 2kku s PHE 45 N 1.68 3.20 0.20 5.22 0.08 -0.01 -2.24 117.98 126.11 2kku s PHE 45 Ca 0.43 -0.32 0.04 0.00 0.12 0.00 0.00 56.93 57.20 2kku s PHE 45 Cb -0.18 -2.75 -0.03 0.00 -0.57 0.00 0.00 43.02 39.49 2kku s PHE 45 CO 0.17 -0.59 0.30 -0.47 -0.10 0.00 0.00 175.22 174.53 2kku s TYR 46 N 1.99 3.42 0.21 0.36 5.04 -0.55 -2.60 117.35 125.22 2kku s TYR 46 Ca 0.10 0.03 0.00 0.00 -2.44 0.00 0.00 57.07 54.77 2kku s TYR 46 Cb -0.17 -1.60 0.00 0.00 0.35 0.00 0.00 41.96 40.54 2kku s TYR 46 CO 0.12 0.49 0.00 0.94 -1.34 0.00 0.00 175.55 175.76 2kku n GLN 47 N -0.94 -1.25 0.00 4.97 0.00 -0.32 -4.08 117.38 115.76 2kku n GLN 47 Ca -0.08 0.98 0.00 0.00 -0.00 0.00 0.00 57.00 57.90 2kku n GLN 47 Cb 0.56 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 29.32 2kku n GLN 47 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 2kku n SER 48 N -3.07 -5.00 -0.65 1.69 3.41 -1.26 -4.39 113.62 104.35 2kku n SER 48 Ca -0.03 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.50 2kku n SER 48 Cb 0.26 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.18 2kku n SER 48 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2kku n HIS 49 N -1.37 0.00 -1.88 7.33 -0.00 -1.26 -1.69 115.22 116.34 2kku n HIS 49 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.56 2kku n HIS 49 Cb 0.00 -2.02 -0.04 0.00 -0.00 0.00 0.00 29.99 27.93 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 -1.78 -1.17 -0.00 1.57 4.07 -1.26 -4.86 120.64 117.21 2kku n GLU 50 Ca -0.09 0.90 -0.00 0.00 -0.06 0.00 0.00 57.16 57.92 2kku n GLU 50 Cb 0.40 -5.17 -0.00 0.00 -0.06 0.00 0.00 31.44 26.61 2kku n GLU 50 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2kku n ASP 51 N -0.75 0.49 0.00 4.31 8.00 -0.68 -5.05 116.55 122.86 2kku n ASP 51 Ca -0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.33 2kku n ASP 51 Cb 0.58 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 2kku n ASP 51 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2kku n THR 52 N -2.94 0.00 -2.36 -3.53 -1.04 -0.78 -4.69 114.28 98.94 2kku n THR 52 Ca -0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.65 2kku n THR 52 Cb 0.50 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.98 2kku n THR 52 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2kku s GLY 53 N 0.00 0.93 -0.22 3.41 0.00 -1.26 -1.17 107.32 109.01 2kku s GLY 53 Ca 0.00 -2.35 -0.07 0.00 0.00 0.00 0.00 44.72 42.30 2kku s GLY 53 CO 0.00 3.06 0.14 0.69 0.00 0.00 0.00 173.10 176.99 2kku n PHE 54 N 10.98 -4.06 -0.09 1.90 3.01 -1.13 -1.41 117.46 126.67 2kku n PHE 54 Ca 0.43 2.15 -0.11 0.00 1.01 0.00 0.00 57.45 60.93 2kku n PHE 54 Cb 0.47 -3.79 0.03 0.00 -0.01 0.00 0.00 39.48 36.18 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 3.76 1.28 0.00 -4.37 3.04 -1.73 -3.42 116.25 114.81 2kku h VAL 55 Ca -0.33 -1.54 0.00 0.00 -1.01 0.00 0.00 66.70 63.83 2kku h VAL 55 Cb 0.76 1.40 0.00 0.00 -2.01 0.00 0.00 31.29 31.44 2kku h VAL 55 CO 0.04 0.51 0.00 0.61 -1.01 0.00 0.00 177.57 177.72 2kku n GLY 56 N 0.05 -0.57 3.65 3.17 0.00 -1.07 -0.69 105.19 109.74 2kku n GLY 56 Ca -0.02 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 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 2.12 0.09 1.61 -1.05 -0.35 -0.83 118.70 119.36 2kku s GLU 57 Ca 0.00 -1.62 -0.02 0.00 -0.15 0.00 0.00 54.97 53.18 2kku s GLU 57 Cb 0.00 0.54 0.01 0.00 -0.44 0.00 0.00 34.13 34.24 2kku s GLU 57 CO 0.00 -0.94 0.15 0.00 0.95 0.00 0.00 175.26 175.42 2kku n ALA 58 N -0.56 -0.27 -4.06 -0.84 0.00 0.43 0.32 120.51 115.54 2kku n ALA 58 Ca -0.04 -0.33 -0.31 0.00 0.00 0.00 0.00 53.44 52.76 2kku n ALA 58 Cb 0.61 0.26 -0.16 0.00 0.00 0.00 0.00 19.45 20.15 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 -2.09 2.55 0.24 0.00 1.81 -0.42 -1.52 118.95 119.52 2kku s ARG 59 Ca 0.05 -0.67 -0.30 0.00 -1.72 0.00 0.00 55.73 53.09 2kku s ARG 59 Cb -0.01 -2.29 -0.09 0.00 -0.45 0.00 0.00 34.95 32.11 2kku s ARG 59 CO 0.04 -0.23 1.32 0.42 -0.68 0.00 0.00 175.30 176.16 2kku s ILE 60 N 1.41 3.04 0.33 1.52 1.01 0.37 -1.97 121.20 126.90 2kku s ILE 60 Ca 0.05 0.89 0.05 0.00 0.00 0.00 0.00 60.65 61.64 2kku s ILE 60 Cb -0.13 -3.57 -0.02 0.00 0.01 0.00 0.00 42.46 38.75 2kku s ILE 60 CO -0.11 0.15 0.18 0.29 0.00 0.00 0.00 174.94 175.44 2kku n LYS 61 N 2.18 0.51 -1.57 2.79 4.76 0.11 -0.87 118.16 126.07 2kku n LYS 61 Ca 0.05 -2.96 -0.64 0.00 -2.87 0.00 0.00 58.31 51.88 2kku n LYS 61 Cb 0.42 1.94 -0.10 0.00 -1.84 0.00 0.00 35.03 35.45 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 -0.70 0.10 -3.06 1.97 1.85 -1.26 -2.68 116.66 112.88 2kku n ARG 62 Ca -0.00 0.03 -0.41 0.00 -1.00 0.00 0.00 57.85 56.47 2kku n ARG 62 Cb 0.53 -1.56 -0.06 0.00 -1.05 0.00 0.00 32.46 30.32 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 4.13 4.88 -0.34 8.89 -7.23 -1.26 -3.36 120.40 126.12 2kku s VAL 63 Ca 1.10 0.94 -0.18 0.00 -1.81 0.00 0.00 61.98 62.03 2kku s VAL 63 Cb -1.46 -4.06 -0.01 0.00 0.56 0.00 0.00 36.38 31.42 2kku s VAL 63 CO 0.75 -0.20 0.49 -0.69 -0.31 0.00 0.00 175.10 175.14 2kku s VAL 64 N 2.74 5.04 -0.26 1.32 1.01 -0.49 -4.86 120.40 124.89 2kku s VAL 64 Ca 0.28 0.37 -0.21 0.00 0.00 0.00 0.00 61.98 62.42 2kku s VAL 64 Cb -0.15 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 2kku s VAL 64 CO 0.12 -0.16 0.67 -0.76 0.00 0.00 0.00 175.10 174.98 2kku s LEU 65 N 2.33 4.08 -0.13 3.92 1.43 -1.26 -0.93 118.68 128.13 2kku s LEU 65 Ca 0.18 0.72 -0.07 0.00 -1.03 0.00 0.00 54.13 53.93 2kku s LEU 65 Cb -0.16 -2.92 0.05 0.00 0.03 0.00 0.00 46.19 43.20 2kku s LEU 65 CO 0.13 -0.42 0.30 -0.55 0.23 0.00 0.00 176.35 176.04 2kku s SER 66 N 1.48 -0.35 0.43 2.29 0.15 -0.56 -5.02 113.70 112.12 2kku s SER 66 Ca 0.28 0.65 0.12 0.00 0.70 0.00 0.00 55.95 57.69 2kku s SER 66 Cb -0.15 0.54 0.94 0.00 -1.71 0.00 0.00 66.02 65.64 2kku s SER 66 CO 0.09 -0.17 1.99 -0.33 1.20 0.00 0.00 173.24 176.02 2kku h GLU 67 N 6.98 0.15 -5.41 5.44 5.08 -1.80 -1.80 114.58 123.21 2kku h GLU 67 Ca -0.38 -0.03 -0.62 0.00 -1.00 0.00 0.00 59.36 57.34 2kku h GLU 67 Cb 1.17 -0.03 -0.12 0.00 0.50 0.00 0.00 28.75 30.27 2kku h GLU 67 CO 0.34 0.25 0.06 -0.80 -1.00 0.00 0.00 179.01 177.87 2kku s ASN 68 N -6.93 6.47 0.17 1.42 0.01 -1.26 -4.39 114.94 110.42 2kku s ASN 68 Ca -0.05 0.51 0.19 0.00 -0.71 0.00 0.00 52.86 52.80 2kku s ASN 68 Cb 0.16 -2.30 0.83 0.00 0.41 0.00 0.00 41.25 40.35 2kku s ASN 68 CO 0.71 -0.36 1.59 -0.81 -1.51 0.00 0.00 177.10 176.72 2kku n PRO 69 N 5.67 0.12 0.14 -0.60 -0.04 -1.26 -2.67 135.00 136.35 2kku n PRO 69 Ca -0.03 0.39 0.04 0.00 -0.04 0.00 0.00 63.50 63.86 2kku n PRO 69 Cb 0.49 -1.74 0.03 0.00 -0.04 0.00 0.00 33.50 32.24 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 -3.08 114.93 113.30 2kku h MET 70 Ca 0.00 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 2kku h MET 70 Cb 0.28 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 2kku h MET 70 CO 0.00 0.39 -0.28 1.96 1.06 0.00 0.00 176.91 180.05 2kku h GLN 71 N 0.00 0.00 0.00 1.72 4.20 -1.92 -1.56 115.11 117.55 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 1.34 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.11 2kku h GLN 71 CO 0.05 0.28 -0.38 0.74 -0.67 0.00 0.00 178.83 178.85 2kku h PHE 72 N 0.00 0.00 0.00 2.96 0.04 -1.68 -1.80 116.94 116.46 2kku h PHE 72 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 2kku h PHE 72 Cb 0.73 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.88 2kku h PHE 72 CO 0.00 0.38 -0.20 0.74 -0.60 0.00 0.00 178.31 178.63 2kku h PHE 73 N 0.00 0.00 0.00 -0.55 0.04 -1.34 0.39 116.94 115.48 2kku h PHE 73 Ca -0.00 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.60 2kku h PHE 73 Cb 0.76 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.88 2kku h PHE 73 CO 0.00 0.04 -1.46 -0.85 -0.60 0.00 0.00 178.31 175.45 2kku n GLU 74 N -3.04 0.62 -0.09 1.51 0.28 -0.92 -3.31 120.64 115.70 2kku n GLU 74 Ca 0.03 0.20 -0.17 0.00 -0.16 0.00 0.00 57.16 57.05 2kku n GLU 74 Cb 0.55 -1.79 -0.11 0.00 1.43 0.00 0.00 31.44 31.52 2kku n GLU 74 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 2kku h THR 75 N 0.00 1.17 0.00 3.84 2.02 -1.35 -3.45 112.91 115.14 2kku h THR 75 Ca -0.17 -2.15 -0.07 0.00 0.77 0.00 0.00 66.41 64.80 2kku h THR 75 Cb 1.57 2.48 -0.01 0.00 -1.74 0.00 0.00 68.15 70.45 2kku h THR 75 CO 0.04 0.40 -0.96 0.49 0.37 0.00 0.00 175.52 175.86 2kku n PHE 76 N -4.52 0.00 0.00 3.16 3.72 -0.00 -5.03 117.46 114.79 2kku n PHE 76 Ca -0.22 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 2kku n PHE 76 Cb 0.57 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 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 2.12 1.05 0.31 1.37 0.00 -0.44 -2.81 105.19 106.78 2kku n GLY 77 Ca -0.15 0.39 0.01 0.00 0.00 0.00 0.00 46.02 46.28 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 0.59 0.67 1.61 1.82 -1.91 -2.62 116.42 116.58 2kku h ASP 78 Ca 0.00 -0.05 -0.10 0.00 -0.39 0.00 0.00 57.03 56.49 2kku h ASP 78 Cb 0.00 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 39.85 2kku h ASP 78 CO 0.00 0.50 -0.47 0.03 -1.61 0.00 0.00 179.24 177.70 2kku h ARG 79 N 0.67 0.00 -6.59 0.28 2.47 -1.88 -3.43 114.38 105.90 2kku h ARG 79 Ca 0.17 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 58.36 2kku h ARG 79 Cb 0.06 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.40 2kku h ARG 79 CO -0.02 0.47 0.63 0.08 0.56 0.00 0.00 179.97 181.69 2kku s VAL 80 N -3.71 3.48 0.12 2.04 1.01 -0.99 0.88 120.40 123.23 2kku s VAL 80 Ca -0.01 1.14 -0.22 0.00 0.00 0.00 0.00 61.98 62.89 2kku s VAL 80 Cb 0.12 -3.73 -0.06 0.00 0.00 0.00 0.00 36.38 32.71 2kku s VAL 80 CO 0.72 0.13 1.70 2.19 0.00 0.00 0.00 175.10 179.84 2kku h PHE 81 N 6.07 -0.17 -2.89 5.22 -0.00 -1.41 -3.43 116.94 120.32 2kku h PHE 81 Ca -0.43 0.01 -0.50 0.00 -0.00 0.00 0.00 57.97 57.05 2kku h PHE 81 Cb 1.21 0.09 -0.00 0.00 -0.00 0.00 0.00 35.95 37.25 2kku h PHE 81 CO 0.64 -0.11 -0.22 -0.48 -0.00 0.00 0.00 178.31 178.14 2kku s LEU 82 N -10.34 4.08 0.61 2.10 2.34 -1.26 -4.81 118.68 111.40 2kku s LEU 82 Ca -0.14 0.49 -0.04 0.00 0.06 0.00 0.00 54.13 54.51 2kku s LEU 82 Cb 0.09 -3.32 0.04 0.00 -0.56 0.00 0.00 46.19 42.44 2kku s LEU 82 CO 0.67 -0.21 0.89 0.28 -1.06 0.00 0.00 176.35 176.93 2kku s THR 83 N -2.15 2.85 0.44 5.48 -1.32 -1.26 -4.94 115.64 114.74 2kku s THR 83 Ca 0.40 -0.34 0.17 0.00 -1.21 0.00 0.00 61.69 60.71 2kku s THR 83 Cb -0.10 -3.15 0.20 0.00 -1.51 0.00 0.00 72.50 67.94 2kku s THR 83 CO 0.33 -0.14 2.00 0.50 -2.21 0.00 0.00 174.62 175.11 2kku h LYS 84 N -0.23 0.00 -0.65 7.08 3.64 -1.98 -1.52 116.57 122.91 2kku h LYS 84 Ca -0.44 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.93 2kku h LYS 84 Cb 1.29 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.08 2kku h LYS 84 CO 0.58 0.18 0.39 -0.44 -2.27 0.00 0.00 179.45 177.88 2kku h ASP 85 N 0.00 0.79 -0.72 4.20 3.32 -1.99 -0.75 116.42 121.27 2kku h ASP 85 Ca -0.00 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 56.91 2kku h ASP 85 Cb 0.33 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 2kku h ASP 85 CO 0.02 0.63 0.19 -0.33 -1.72 0.00 0.00 179.24 178.04 2kku h GLU 86 N 0.89 1.15 0.20 3.56 4.39 -1.68 -1.48 114.58 121.61 2kku h GLU 86 Ca 0.23 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2kku h GLU 86 Cb -0.01 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.48 2kku h GLU 86 CO -0.04 1.00 -0.09 1.25 -1.16 0.00 0.00 179.01 179.96 2kku h LEU 87 N 1.09 -0.22 -0.34 1.33 5.85 -1.15 -2.54 115.31 119.33 2kku h LEU 87 Ca 0.23 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 2kku h LEU 87 Cb 0.35 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2kku h LEU 87 CO -0.00 -0.03 -0.14 0.07 -0.34 0.00 0.00 178.44 178.01 2kku h LYS 88 N -0.41 0.69 -0.29 1.25 5.09 -1.10 -1.79 116.57 120.01 2kku h LYS 88 Ca -0.03 -0.29 -0.03 0.00 0.09 0.00 0.00 60.65 60.40 2kku h LYS 88 Cb 0.32 -0.03 -0.02 0.00 0.10 0.00 0.00 32.23 32.61 2kku h LYS 88 CO 0.04 0.88 0.07 1.05 -2.09 0.00 0.00 179.45 179.40 2kku h GLU 89 N 0.46 0.41 -0.27 0.07 4.11 -1.35 0.16 114.58 118.17 2kku h GLU 89 Ca 0.08 -0.06 -0.03 0.00 0.07 0.00 0.00 59.36 59.42 2kku h GLU 89 Cb 0.66 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2kku h GLU 89 CO 0.04 0.39 0.04 -0.92 0.07 0.00 0.00 179.01 178.63 2kku h TYR 90 N 0.41 0.48 0.00 2.06 3.20 -1.11 0.10 116.97 122.12 2kku h TYR 90 Ca 0.10 -0.07 -0.12 0.00 3.14 0.00 0.00 58.73 61.78 2kku h TYR 90 Cb 0.17 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 2kku h TYR 90 CO 0.00 0.56 -0.56 0.52 -1.64 0.00 0.00 178.16 177.05 2kku h MET 91 N 0.27 0.00 -0.00 1.82 2.86 -0.67 -2.95 114.93 116.25 2kku h MET 91 Ca 0.08 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.48 2kku h MET 91 Cb 0.34 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.01 2kku h MET 91 CO 0.01 0.56 -0.98 0.87 1.06 0.00 0.00 176.91 178.43 2kku h LYS 92 N 0.00 0.52 0.00 1.72 1.79 -0.63 -3.16 116.57 116.82 2kku h LYS 92 Ca -0.01 -0.56 -0.00 0.00 -2.18 0.00 0.00 60.65 57.90 2kku h LYS 92 Cb 1.14 0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 31.95 2kku h LYS 92 CO 0.07 1.19 -0.02 0.77 -1.08 0.00 0.00 179.45 180.39 2kku h SER 93 N 0.30 0.00 0.24 0.86 0.02 -0.66 -1.19 113.55 113.11 2kku h SER 93 Ca -0.10 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 2kku h SER 93 Cb 1.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.16 2kku h SER 93 CO 0.18 0.02 -0.12 1.56 -1.14 0.00 0.00 176.83 177.33 2kku h GLN 94 N 0.00 -0.31 0.00 3.45 1.08 -1.49 -1.89 115.11 115.95 2kku h GLN 94 Ca -0.00 0.02 -0.07 0.00 -1.45 0.00 0.00 58.65 57.15 2kku h GLN 94 Cb 0.04 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 2kku h GLN 94 CO 0.00 0.04 -0.34 1.05 -0.95 0.00 0.00 178.83 178.64 2kku h GLU 95 N -0.75 0.00 0.00 1.46 4.11 -1.41 0.37 114.58 118.36 2kku h GLU 95 Ca -0.03 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.38 2kku h GLU 95 Cb 0.50 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 2kku h GLU 95 CO 0.05 0.34 -1.81 2.89 0.07 0.00 0.00 179.01 180.55 2kku n ARG 96 N -3.48 0.65 0.03 1.06 1.85 -0.51 -4.77 116.66 111.50 2kku n ARG 96 Ca -0.00 -0.12 0.00 0.00 -1.00 0.00 0.00 57.85 56.73 2kku n ARG 96 Cb 0.50 -1.59 0.00 0.00 -1.05 0.00 0.00 32.46 30.32 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 -2.38 -0.05 0.00 2.89 7.02 -0.73 -5.07 117.44 119.12 2kku n TRP 97 Ca -0.05 0.01 0.00 0.00 -1.02 0.00 0.00 57.50 56.44 2kku n TRP 97 Cb 0.60 0.02 0.00 0.00 -2.42 0.00 0.00 31.31 29.51 2kku n TRP 97 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2kku n GLY 98 N 3.43 1.79 3.63 6.99 0.00 -0.33 -5.02 105.19 115.68 2kku n GLY 98 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.75 -0.48 1.61 3.52 0.11 -4.91 118.95 119.56 2kku s ARG 99 Ca 0.00 0.99 0.06 0.00 -0.13 0.00 0.00 55.73 56.65 2kku s ARG 99 Cb 0.00 0.32 0.21 0.00 -1.56 0.00 0.00 34.95 33.91 2kku s ARG 99 CO 0.00 -0.11 0.69 -2.13 -0.81 0.00 0.00 175.30 172.94 2kku n ARG 100 N 3.05 0.58 -0.05 5.12 3.00 -1.25 -4.31 116.66 122.79 2kku n ARG 100 Ca -0.15 -2.28 -0.12 0.00 -0.00 0.00 0.00 57.85 55.30 2kku n ARG 100 Cb 0.56 -1.47 -0.10 0.00 0.00 0.00 0.00 32.46 31.45 2kku n ARG 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2kku h ARG 101 N 4.67 -0.02 -3.13 -0.14 2.47 -1.99 -3.46 114.38 112.78 2kku h ARG 101 Ca 0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2kku h ARG 101 Cb 1.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.35 2kku h ARG 101 CO 0.22 0.75 -0.73 -1.91 0.56 0.00 0.00 179.97 178.86 2kku n GLU 102 N -4.68 -3.98 -1.18 0.04 2.13 -1.26 -4.99 120.64 106.72 2kku n GLU 102 Ca -0.08 2.87 -0.30 0.00 0.66 0.00 0.00 57.16 60.31 2kku n GLU 102 Cb 0.37 -3.17 0.13 0.00 0.27 0.00 0.00 31.44 29.04 2kku n GLU 102 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2kku s SER 103 N -1.84 3.65 0.54 4.31 1.04 -1.26 -4.94 113.70 115.20 2kku s SER 103 Ca 0.00 1.60 0.23 0.00 0.48 0.00 0.00 55.95 58.27 2kku s SER 103 Cb 0.00 -2.28 1.41 0.00 0.10 0.00 0.00 66.02 65.25 2kku s SER 103 CO 0.00 -2.54 2.07 0.11 0.98 0.00 0.00 173.24 173.85 2kku h LYS 104 N -1.48 0.00 -5.70 4.02 1.79 -2.07 -3.39 116.57 109.74 2kku h LYS 104 Ca -0.48 0.00 -0.66 0.00 -2.18 0.00 0.00 60.65 57.33 2kku h LYS 104 Cb 1.27 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.85 2kku h LYS 104 CO 0.53 0.00 -0.49 0.21 -1.08 0.00 0.00 179.45 178.62 2kku s LYS 105 N -4.96 3.41 1.09 3.15 2.20 -1.26 -5.12 119.74 118.26 2kku s LYS 105 Ca -0.05 -0.20 -0.13 0.00 -0.36 0.00 0.00 55.97 55.24 2kku s LYS 105 Cb 0.18 -3.14 0.24 0.00 -1.51 0.00 0.00 37.83 33.60 2kku s LYS 105 CO 0.68 0.75 1.06 -1.59 -0.36 0.00 0.00 175.35 175.88 2kku s LYS 106 N -1.26 -0.30 0.48 4.03 0.00 -1.26 -5.03 119.74 116.40 2kku s LYS 106 Ca 0.18 0.72 -0.20 0.00 0.00 0.00 0.00 55.97 56.67 2kku s LYS 106 Cb -0.12 -1.64 -0.09 0.00 0.00 0.00 0.00 37.83 35.98 2kku s LYS 106 CO 0.08 -3.28 1.01 0.21 0.00 0.00 0.00 175.35 173.37 2kku s LYS 107 N -4.68 3.90 0.10 1.78 2.47 -1.26 -5.04 119.74 117.00 2kku s LYS 107 Ca 0.67 1.27 -0.30 0.00 -1.56 0.00 0.00 55.97 56.04 2kku s LYS 107 Cb -0.22 -2.12 -0.06 0.00 -1.46 0.00 0.00 37.83 33.97 2kku s LYS 107 CO 0.61 -0.34 1.19 -1.17 0.16 0.00 0.00 175.35 175.81 2kku s LEU 108 N -3.49 4.40 0.26 5.43 1.98 -1.26 -4.56 118.68 121.45 2kku s LEU 108 Ca 0.65 2.07 0.10 0.00 -2.89 0.00 0.00 54.13 54.07 2kku s LEU 108 Cb -0.14 -3.59 -0.04 0.00 0.66 0.00 0.00 46.19 43.08 2kku s LEU 108 CO 0.19 -0.43 -0.06 0.26 -1.89 0.00 0.00 176.35 174.43 2kku s TRP 109 N 0.69 2.58 -0.03 5.38 0.52 -0.68 -2.52 118.94 124.89 2kku s TRP 109 Ca 0.57 -0.25 0.00 0.00 0.02 0.00 0.00 56.10 56.44 2kku s TRP 109 Cb -0.30 -1.14 0.03 0.00 -1.15 0.00 0.00 33.47 30.90 2kku s TRP 109 CO 0.31 0.64 0.00 0.00 0.02 0.00 0.00 176.95 177.92 2kku s MET 110 N -3.57 0.26 -0.44 4.98 0.23 0.02 -1.50 119.30 119.29 2kku s MET 110 Ca 0.31 0.07 -0.08 0.00 -1.03 0.00 0.00 55.69 54.96 2kku s MET 110 Cb -0.06 -0.44 0.10 0.00 -1.53 0.00 0.00 34.83 32.90 2kku s MET 110 CO 0.18 -0.12 0.29 0.00 -2.03 0.00 0.00 175.02 173.34 2kku s ALA 111 N 0.94 3.31 -0.27 3.16 0.00 -0.10 -1.34 121.76 127.45 2kku s ALA 111 Ca -0.09 -2.41 -0.27 0.00 0.00 0.00 0.00 51.96 49.19 2kku s ALA 111 Cb -0.13 -2.68 0.01 0.00 0.00 0.00 0.00 23.12 20.32 2kku s ALA 111 CO -0.02 -1.80 0.97 0.42 0.00 0.00 0.00 175.76 175.33 2kku s ILE 112 N 1.34 4.67 0.21 0.00 1.01 -0.11 -1.40 121.20 126.92 2kku s ILE 112 Ca 0.05 1.71 -0.28 0.00 0.00 0.00 0.00 60.65 62.12 2kku s ILE 112 Cb -0.25 -4.28 -0.09 0.00 0.01 0.00 0.00 42.46 37.86 2kku s ILE 112 CO -0.01 -0.27 0.88 -0.70 0.00 0.00 0.00 174.94 174.85 2kku s GLU 113 N 3.24 4.75 -0.07 2.79 2.12 -1.09 -0.74 118.70 129.70 2kku s GLU 113 Ca 0.41 1.37 0.04 0.00 0.36 0.00 0.00 54.97 57.15 2kku s GLU 113 Cb -0.14 -3.28 0.00 0.00 0.26 0.00 0.00 34.13 30.98 2kku s GLU 113 CO 0.10 0.53 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.65 2kku s LEU 114 N -1.14 1.94 0.13 2.70 2.01 0.86 0.06 118.68 125.24 2kku s LEU 114 Ca 0.39 -0.44 -0.01 0.00 0.01 0.00 0.00 54.13 54.08 2kku s LEU 114 Cb -0.25 -1.15 -0.04 0.00 0.01 0.00 0.00 46.19 44.76 2kku s LEU 114 CO 0.30 0.14 0.07 -1.83 1.01 0.00 0.00 176.35 176.04 2kku s GLU 115 N 0.25 0.94 -1.40 1.70 4.04 -0.83 -1.15 118.70 122.25 2kku s GLU 115 Ca -0.11 -1.44 -0.09 0.00 0.04 0.00 0.00 54.97 53.37 2kku s GLU 115 Cb -0.15 0.25 0.02 0.00 0.02 0.00 0.00 34.13 34.27 2kku s GLU 115 CO 0.05 -0.27 1.11 -3.47 -1.84 0.00 0.00 175.26 170.84 2kku n ASP 116 N -0.10 -6.16 -4.56 0.83 2.03 -0.73 -1.29 116.55 106.56 2kku n ASP 116 Ca -0.05 -0.55 -0.39 0.00 0.52 0.00 0.00 54.79 54.32 2kku n ASP 116 Cb 0.64 -4.86 -0.03 0.00 -0.72 0.00 0.00 41.12 36.14 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 -3.30 3.32 0.09 5.18 1.01 -1.09 -4.49 120.40 121.12 2kku s VAL 117 Ca 0.58 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 62.46 2kku s VAL 117 Cb -0.26 -3.78 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 2kku s VAL 117 CO 0.71 -0.73 1.18 -0.75 0.00 0.00 0.00 175.10 175.52 2kku s LYS 118 N 7.05 4.46 -0.18 2.72 2.47 0.15 -4.83 119.74 131.58 2kku s LYS 118 Ca 0.73 1.78 -0.18 0.00 -1.56 0.00 0.00 55.97 56.74 2kku s LYS 118 Cb -0.14 -3.32 -0.04 0.00 -1.46 0.00 0.00 37.83 32.87 2kku s LYS 118 CO 0.23 -0.19 0.47 0.15 0.16 0.00 0.00 175.35 176.17 2kku s LYS 119 N 0.68 4.22 -0.68 4.03 -0.14 -1.26 -1.21 119.74 125.39 2kku s LYS 119 Ca 0.57 0.36 -0.21 0.00 -1.36 0.00 0.00 55.97 55.32 2kku s LYS 119 Cb -0.30 -3.52 0.09 0.00 -1.68 0.00 0.00 37.83 32.42 2kku s LYS 119 CO 0.31 -0.04 0.92 0.71 -0.76 0.00 0.00 175.35 176.49 2kku s TYR 120 N 1.28 2.82 0.31 3.18 1.51 0.14 -4.87 117.35 121.72 2kku s TYR 120 Ca 0.23 -0.77 0.10 0.00 -1.01 0.00 0.00 57.07 55.61 2kku s TYR 120 Cb -0.15 -4.22 0.50 0.00 -0.11 0.00 0.00 41.96 37.98 2kku s TYR 120 CO 0.09 -1.53 1.70 0.22 -1.11 0.00 0.00 175.55 174.92 2kku h ASP 121 N 9.37 0.08 -3.40 2.29 3.58 -1.88 -3.43 116.42 123.02 2kku h ASP 121 Ca -0.23 -0.04 -0.55 0.00 0.42 0.00 0.00 57.03 56.63 2kku h ASP 121 Cb 1.07 -0.02 -0.04 0.00 1.72 0.00 0.00 39.33 42.06 2kku h ASP 121 CO 1.15 0.55 0.15 -1.59 -2.88 0.00 0.00 179.24 176.63 2kku s LYS 122 N -3.94 4.48 -0.67 0.28 -2.85 -1.26 -5.02 119.74 110.76 2kku s LYS 122 Ca -0.03 1.04 -0.27 0.00 -1.00 0.00 0.00 55.97 55.71 2kku s LYS 122 Cb 0.13 -3.40 0.02 0.00 -2.06 0.00 0.00 37.83 32.53 2kku s LYS 122 CO 0.75 0.19 1.33 -1.25 0.10 0.00 0.00 175.35 176.47 2kku s PRO 123 N 0.29 3.23 -0.15 1.78 0.04 -1.26 -4.90 135.00 134.03 2kku s PRO 123 Ca 0.39 0.04 -0.02 0.00 0.04 0.00 0.00 61.00 61.45 2kku s PRO 123 Cb -0.20 -4.15 -0.02 0.00 0.04 0.00 0.00 34.50 30.17 2kku s PRO 123 CO 0.22 -2.07 -0.07 0.42 0.04 0.00 0.00 177.00 175.54 2kku s ILE 124 N 5.90 3.56 0.29 0.56 1.01 -0.50 -5.00 121.20 127.01 2kku s ILE 124 Ca 0.42 -0.48 -0.28 0.00 0.00 0.00 0.00 60.65 60.31 2kku s ILE 124 Cb -0.09 -2.54 -0.09 0.00 0.01 0.00 0.00 42.46 39.75 2kku s ILE 124 CO 0.19 0.50 1.00 -0.54 0.00 0.00 0.00 174.94 176.09 2kku s LYS 125 N 0.42 4.66 0.69 2.79 3.01 -1.26 -2.84 119.74 127.22 2kku s LYS 125 Ca -0.06 1.55 -0.13 0.00 -1.01 0.00 0.00 55.97 56.32 2kku s LYS 125 Cb -0.15 -3.08 0.01 0.00 -1.01 0.00 0.00 37.83 33.61 2kku s LYS 125 CO 0.04 0.31 1.09 -1.25 0.51 0.00 0.00 175.35 176.05 2kku s PRO 126 N -1.58 2.70 0.49 -1.68 0.04 -1.26 -4.94 135.00 128.78 2kku s PRO 126 Ca 0.46 1.25 0.20 0.00 0.04 0.00 0.00 61.00 62.95 2kku s PRO 126 Cb -0.26 -1.95 1.27 0.00 0.04 0.00 0.00 34.50 33.60 2kku s PRO 126 CO 0.33 -1.31 2.06 0.87 0.04 0.00 0.00 177.00 178.99 2kku h LYS 127 N -0.38 0.00 -3.39 4.56 1.57 -2.05 -3.43 116.57 113.45 2kku h LYS 127 Ca -0.45 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.29 2kku h LYS 127 Cb 1.23 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.43 2kku h LYS 127 CO 0.54 0.13 -0.03 -0.98 -0.57 0.00 0.00 179.45 178.53 2kku s ARG 128 N -4.54 1.30 0.30 3.15 1.70 -1.26 -5.15 118.95 114.45 2kku s ARG 128 Ca -0.04 -0.87 -0.30 0.00 -0.47 0.00 0.00 55.73 54.05 2kku s ARG 128 Cb 0.15 0.49 -0.11 0.00 -0.57 0.00 0.00 34.95 34.91 2kku s ARG 128 CO 0.64 -0.54 1.55 -0.48 -1.08 0.00 0.00 175.30 175.40 2kku s LEU 129 N -2.87 4.35 -0.44 -1.89 2.34 -1.26 -4.99 118.68 113.91 2kku s LEU 129 Ca 0.09 2.93 -0.10 0.00 0.06 0.00 0.00 54.13 57.11 2kku s LEU 129 Cb 0.00 -3.64 0.09 0.00 -0.56 0.00 0.00 46.19 42.08 2kku s LEU 129 CO -0.04 -0.88 0.30 -0.69 -1.06 0.00 0.00 176.35 173.98 2kku s VAL 130 N -0.21 4.33 1.04 1.48 1.01 -1.26 -4.93 120.40 121.86 2kku s VAL 130 Ca 0.61 -1.47 -0.17 0.00 0.00 0.00 0.00 61.98 60.95 2kku s VAL 130 Cb -0.47 -3.70 0.26 0.00 0.00 0.00 0.00 36.38 32.47 2kku s VAL 130 CO 0.50 -0.58 0.95 -0.81 0.00 0.00 0.00 175.10 175.15 2kku n PRO 131 N 4.95 -2.73 -0.15 2.72 -0.04 -1.26 -4.55 135.00 133.93 2kku n PRO 131 Ca -0.10 -1.51 0.04 0.00 -0.04 0.00 0.00 63.50 61.89 2kku n PRO 131 Cb 0.42 -1.38 0.34 0.00 -0.04 0.00 0.00 33.50 32.84 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 -2.50 1.10 0.00 0.52 3.04 -2.00 -0.42 116.25 115.99 2kku h VAL 132 Ca -0.35 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 65.07 2kku h VAL 132 Cb 1.07 0.24 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 2kku h VAL 132 CO 0.23 0.14 0.00 1.23 -1.01 0.00 0.00 177.57 178.16 2kku h GLY 133 N 0.79 0.00 -0.09 3.17 0.00 -1.98 -3.46 103.07 101.50 2kku h GLY 133 Ca 0.26 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.60 2kku h GLY 133 CO -0.07 0.00 -0.03 0.61 0.00 0.00 0.00 176.54 177.05 2kku n GLY 134 N 0.33 -2.44 3.55 4.60 0.00 -0.17 -5.01 105.19 106.05 2kku n GLY 134 Ca 0.02 -1.45 -0.28 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 -2.74 1.98 -0.31 1.61 -1.52 -0.58 -4.76 119.66 113.35 2kku s GLN 135 Ca 0.00 -1.21 -0.19 0.00 -1.95 0.00 0.00 55.36 52.01 2kku s GLN 135 Cb 0.00 -2.16 -0.01 0.00 -0.22 0.00 0.00 33.01 30.62 2kku s GLN 135 CO 0.00 0.46 0.57 0.71 -0.25 0.00 0.00 175.29 176.78 2kku s TYR 136 N -1.48 3.21 -0.37 0.91 2.02 -1.26 -0.98 117.35 119.41 2kku s TYR 136 Ca 0.22 0.47 -0.26 0.00 -0.37 0.00 0.00 57.07 57.14 2kku s TYR 136 Cb -0.10 -2.92 0.01 0.00 -0.40 0.00 0.00 41.96 38.56 2kku s TYR 136 CO 0.13 -0.45 0.92 -1.17 -1.57 0.00 0.00 175.55 173.41 2kku s LEU 137 N 2.49 4.00 0.01 -1.29 0.20 -0.46 -4.95 118.68 118.67 2kku s LEU 137 Ca 0.22 0.58 0.08 0.00 0.69 0.00 0.00 54.13 55.70 2kku s LEU 137 Cb -0.15 -3.26 -0.02 0.00 -0.43 0.00 0.00 46.19 42.33 2kku s LEU 137 CO 0.12 -0.85 -0.23 0.00 -0.29 0.00 0.00 176.35 175.09 2kku s ARG 138 N 3.46 1.76 0.00 1.98 3.03 -1.26 -1.42 118.95 126.51 2kku s ARG 138 Ca 0.38 -0.90 0.27 0.00 2.03 0.00 0.00 55.73 57.51 2kku s ARG 138 Cb -0.12 -1.78 1.60 0.00 -1.03 0.00 0.00 34.95 33.61 2kku s ARG 138 CO 0.19 0.48 1.95 -1.91 -1.13 0.00 0.00 175.30 174.87