#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 0.28 6.12 7.64 -1.26 -1.54 113.62 124.86 2kku n SER 2 Ca 0.00 0.39 0.16 0.00 1.01 0.00 0.00 58.87 60.43 2kku n SER 2 Cb 0.00 -0.42 0.79 0.00 -1.01 0.00 0.00 64.21 63.56 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 -3.50 116.57 114.60 2kku h LYS 3 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2kku h LYS 3 Cb 0.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 2kku h LYS 3 CO 0.00 0.06 0.00 -0.89 -2.00 0.00 0.00 179.45 176.62 2kku n ILE 4 N -3.28 0.00 0.00 0.07 2.08 -0.59 -4.95 119.36 112.69 2kku n ILE 4 Ca -0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.30 2kku n ILE 4 Cb 0.25 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.14 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 -1.05 0.00 -2.62 1.39 0.24 -0.62 -2.97 118.33 112.69 2kku n VAL 5 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2kku n VAL 5 Cb 0.00 -0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.31 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 -0.30 1.76 3.14 7.63 0.00 -0.55 -1.12 105.19 115.75 2kku n GLY 6 Ca 0.00 -0.70 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 2kku n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kku s VAL 7 N -2.49 1.39 -0.15 1.61 0.11 -0.95 -1.00 120.40 118.93 2kku s VAL 7 Ca 0.00 -0.71 -0.06 0.00 -2.93 0.00 0.00 61.98 58.27 2kku s VAL 7 Cb 0.00 -1.18 -0.04 0.00 -1.53 0.00 0.00 36.38 33.63 2kku s VAL 7 CO 0.00 0.40 0.07 0.28 -3.33 0.00 0.00 175.10 172.52 2kku s THR 8 N -0.08 4.91 -0.04 5.04 -1.32 -0.21 -1.89 115.64 122.05 2kku s THR 8 Ca -0.01 -0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.46 2kku s THR 8 Cb -0.10 -3.17 0.03 0.00 -1.51 0.00 0.00 72.50 67.75 2kku s THR 8 CO 0.01 0.52 0.03 -0.31 -2.21 0.00 0.00 174.62 172.67 2kku s TYR 9 N -0.19 0.23 -0.89 9.09 2.02 -0.94 -1.92 117.35 124.75 2kku s TYR 9 Ca 0.08 0.11 -0.25 0.00 -0.37 0.00 0.00 57.07 56.64 2kku s TYR 9 Cb -0.12 -0.50 0.04 0.00 -0.40 0.00 0.00 41.96 40.98 2kku s TYR 9 CO 0.01 -0.19 1.36 -1.25 -1.57 0.00 0.00 175.55 173.91 2kku s PRO 10 N 1.77 3.41 -0.21 -1.71 0.04 -1.26 -1.35 135.00 135.69 2kku s PRO 10 Ca 0.00 -0.74 -0.29 0.00 0.04 0.00 0.00 61.00 60.02 2kku s PRO 10 Cb -0.12 -4.82 -0.06 0.00 0.04 0.00 0.00 34.50 29.54 2kku s PRO 10 CO -0.03 -2.17 2.21 -0.89 0.04 0.00 0.00 177.00 176.16 2kku n ILE 11 N 6.63 0.36 0.02 0.56 2.08 -1.25 -4.78 119.36 122.98 2kku n ILE 11 Ca 0.19 -0.44 -0.07 0.00 0.56 0.00 0.00 62.75 62.99 2kku n ILE 11 Cb 0.50 -2.50 0.04 0.00 -0.75 0.00 0.00 39.64 36.92 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 8.66 1.36 -3.90 0.38 -0.04 -1.26 -4.81 135.00 135.39 2kku n PRO 12 Ca 0.30 -0.79 -0.11 0.00 -0.04 0.00 0.00 63.50 62.86 2kku n PRO 12 Cb 0.43 -1.31 -0.12 0.00 -0.04 0.00 0.00 33.50 32.46 2kku n PRO 12 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2kku s LYS 13 N -0.88 0.18 0.00 0.54 2.47 -1.26 -5.04 119.74 115.74 2kku s LYS 13 Ca 0.15 -0.22 0.00 0.00 -1.56 0.00 0.00 55.97 54.34 2kku s LYS 13 Cb 0.12 0.07 0.00 0.00 -1.46 0.00 0.00 37.83 36.57 2kku s LYS 13 CO 0.02 -0.03 0.71 0.54 0.16 0.00 0.00 175.35 176.74 2kku n ARG 14 N 2.39 0.71 -0.64 4.03 5.12 -1.26 -3.04 116.66 123.97 2kku n ARG 14 Ca -0.17 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 55.76 2kku n ARG 14 Cb 0.58 -1.00 0.22 0.00 -1.16 0.00 0.00 32.46 31.10 2kku n ARG 14 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2kku n PHE 15 N -0.50 1.07 -0.14 -1.55 3.72 -1.26 -4.42 117.46 114.38 2kku n PHE 15 Ca 0.00 -1.27 -0.01 0.00 -0.05 0.00 0.00 57.45 56.12 2kku n PHE 15 Cb 0.00 -0.42 0.24 0.00 -0.94 0.00 0.00 39.48 38.36 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 1.33 0.84 0.00 -1.08 1.85 -1.88 -3.11 114.93 112.88 2kku h MET 16 Ca 0.13 -0.11 -0.01 0.00 -0.61 0.00 0.00 59.70 59.10 2kku h MET 16 Cb 1.59 -0.16 -0.00 0.00 0.43 0.00 0.00 31.60 33.46 2kku h MET 16 CO 0.33 0.67 -0.05 -0.44 -0.40 0.00 0.00 176.91 177.01 2kku h ASP 17 N 0.84 0.00 -0.77 1.39 5.19 -1.89 -3.08 116.42 118.10 2kku h ASP 17 Ca 0.20 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.63 2kku h ASP 17 Cb 0.12 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.59 2kku h ASP 17 CO -0.02 0.05 0.50 0.03 -3.12 0.00 0.00 179.24 176.68 2kku h ARG 18 N 0.00 0.98 -0.07 3.56 2.47 -1.87 0.22 114.38 119.68 2kku h ARG 18 Ca -0.00 -0.06 -0.06 0.00 -1.26 0.00 0.00 59.98 58.60 2kku h ARG 18 Cb 0.21 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.30 2kku h ARG 18 CO 0.01 0.65 -0.23 0.74 0.56 0.00 0.00 179.97 181.70 2kku h PHE 19 N 1.01 0.12 0.00 3.04 -1.00 -1.76 -2.36 116.94 115.99 2kku h PHE 19 Ca 0.29 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.05 2kku h PHE 19 Cb -0.08 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 39.45 2kku h PHE 19 CO -0.02 0.34 -0.97 1.19 -1.61 0.00 0.00 178.31 177.23 2kku n PHE 20 N -4.22 0.47 -0.04 -0.55 3.72 -0.73 -1.79 117.46 114.32 2kku n PHE 20 Ca -0.02 0.14 -0.13 0.00 -0.05 0.00 0.00 57.45 57.39 2kku n PHE 20 Cb 0.31 -0.61 -0.11 0.00 -0.94 0.00 0.00 39.48 38.13 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 -0.07 -3.39 116.57 115.14 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 0.80 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.03 2kku h LYS 21 CO 0.00 0.70 -1.02 0.36 -2.81 0.00 0.00 179.45 176.68 2kku n LYS 22 N -4.75 1.84 -0.96 1.90 2.85 -1.02 -5.01 118.16 113.01 2kku n LYS 22 Ca -0.09 -0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.12 2kku n LYS 22 Cb 0.35 -1.11 0.00 0.00 -0.65 0.00 0.00 35.03 33.61 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 1.62 0.32 3.06 2.58 0.00 -0.74 -4.89 105.19 107.14 2kku n GLY 23 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2kku n GLY 23 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kku s LYS 24 N -0.83 0.90 0.31 1.61 2.47 -1.26 -2.32 119.74 120.62 2kku s LYS 24 Ca 0.00 -0.53 0.05 0.00 -1.56 0.00 0.00 55.97 53.93 2kku s LYS 24 Cb 0.00 0.03 -0.02 0.00 -1.46 0.00 0.00 37.83 36.38 2kku s LYS 24 CO 0.00 -1.23 0.17 -3.47 0.16 0.00 0.00 175.35 170.98 2kku n ASP 25 N 3.95 0.37 -3.69 1.43 2.03 -0.29 -4.84 116.55 115.50 2kku n ASP 25 Ca 0.13 -2.82 -0.19 0.00 0.52 0.00 0.00 54.79 52.43 2kku n ASP 25 Cb 0.56 1.11 -0.18 0.00 -0.72 0.00 0.00 41.12 41.89 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 -2.97 -0.07 -0.35 5.18 1.01 0.28 -0.13 120.40 123.35 2kku s VAL 26 Ca 0.25 0.38 -0.15 0.00 0.00 0.00 0.00 61.98 62.46 2kku s VAL 26 Cb 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 36.38 36.22 2kku s VAL 26 CO 0.17 0.17 0.34 0.12 0.00 0.00 0.00 175.10 175.90 2kku s PHE 27 N 1.99 3.21 -0.07 5.22 5.36 -0.35 -1.77 117.98 131.57 2kku s PHE 27 Ca 0.03 -0.14 -0.17 0.00 -0.96 0.00 0.00 56.93 55.69 2kku s PHE 27 Cb -0.12 -2.64 -0.05 0.00 -0.34 0.00 0.00 43.02 39.87 2kku s PHE 27 CO -0.03 -0.45 0.46 0.14 -1.46 0.00 0.00 175.22 173.88 2kku s VAL 28 N 1.93 5.11 -0.10 3.12 -7.23 -1.26 -1.31 120.40 120.67 2kku s VAL 28 Ca 0.10 0.93 0.04 0.00 -1.81 0.00 0.00 61.98 61.24 2kku s VAL 28 Cb -0.17 -3.79 -0.00 0.00 0.56 0.00 0.00 36.38 32.98 2kku s VAL 28 CO 0.11 0.42 -0.23 -0.54 -0.31 0.00 0.00 175.10 174.55 2kku s LYS 29 N 0.02 3.03 -0.78 4.82 -0.14 -0.33 -4.98 119.74 121.38 2kku s LYS 29 Ca 0.25 -0.87 -0.07 0.00 -1.36 0.00 0.00 55.97 53.92 2kku s LYS 29 Cb -0.16 -2.31 -0.15 0.00 -1.68 0.00 0.00 37.83 33.53 2kku s LYS 29 CO 0.12 0.20 2.92 -2.30 -0.76 0.00 0.00 175.35 175.53 2kku n PRO 30 N 3.46 2.54 -2.20 -1.68 -0.02 -1.26 -0.77 135.00 135.07 2kku n PRO 30 Ca -0.19 -1.47 -0.17 0.00 -2.02 0.00 0.00 63.50 59.65 2kku n PRO 30 Cb 0.53 -2.35 -0.02 0.00 -0.02 0.00 0.00 33.50 31.64 2kku n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kku n ALA 31 N 3.23 -0.59 -0.23 3.55 0.00 -1.19 -4.86 120.51 120.42 2kku n ALA 31 Ca 0.54 0.17 -0.06 0.00 0.00 0.00 0.00 53.44 54.09 2kku n ALA 31 Cb 0.47 -1.87 0.08 0.00 0.00 0.00 0.00 19.45 18.12 2kku n ALA 31 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2kku h THR 32 N 0.00 1.26 -3.92 0.00 2.02 -1.91 -3.44 112.91 106.91 2kku h THR 32 Ca -0.40 -0.94 -0.47 0.00 0.77 0.00 0.00 66.41 65.37 2kku h THR 32 Cb 1.26 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 2kku h THR 32 CO 0.49 0.36 0.24 0.68 0.37 0.00 0.00 175.52 177.66 2kku s VAL 33 N -5.30 4.56 0.39 3.16 -7.23 -1.26 -5.10 120.40 109.62 2kku s VAL 33 Ca -0.12 1.17 -0.06 0.00 -1.81 0.00 0.00 61.98 61.16 2kku s VAL 33 Cb 0.15 -3.63 0.09 0.00 0.56 0.00 0.00 36.38 33.55 2kku s VAL 33 CO 0.84 -0.35 0.53 0.79 -0.31 0.00 0.00 175.10 176.60 2kku n TRP 34 N -0.75 -3.97 0.30 2.82 7.02 -1.26 -4.96 117.44 116.63 2kku n TRP 34 Ca 0.05 -0.48 0.17 0.00 -1.02 0.00 0.00 57.50 56.22 2kku n TRP 34 Cb 0.54 -0.41 0.81 0.00 -2.42 0.00 0.00 31.31 29.83 2kku n TRP 34 CO 0.00 0.00 0.00 1.57 -2.02 0.00 0.00 177.69 177.24 2kku h LYS 35 N 0.00 0.00 -0.02 -0.99 2.10 -1.99 -2.99 116.57 112.69 2kku h LYS 35 Ca -0.17 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.48 2kku h LYS 35 Cb 0.48 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.81 2kku h LYS 35 CO 0.12 0.00 0.05 0.93 -2.00 0.00 0.00 179.45 178.55 2kku h GLU 36 N 0.00 0.00 -5.72 0.07 4.39 -2.03 -3.38 114.58 107.90 2kku h GLU 36 Ca 0.00 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.37 2kku h GLU 36 Cb 0.23 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 2kku h GLU 36 CO 0.00 0.00 0.92 -1.17 -1.16 0.00 0.00 179.01 177.60 2kku s LEU 37 N -6.84 3.18 0.22 1.33 1.98 -1.13 -4.97 118.68 112.46 2kku s LEU 37 Ca -0.05 -0.02 0.08 0.00 -2.89 0.00 0.00 54.13 51.25 2kku s LEU 37 Cb 0.14 -2.54 -0.04 0.00 0.66 0.00 0.00 46.19 44.41 2kku s LEU 37 CO 0.47 -2.84 0.06 -1.59 -1.89 0.00 0.00 176.35 170.56 2kku s LYS 38 N 7.50 2.56 -0.90 1.98 -2.85 -1.26 -5.04 119.74 121.73 2kku s LYS 38 Ca 0.76 -1.17 -0.07 0.00 -1.00 0.00 0.00 55.97 54.49 2kku s LYS 38 Cb -0.11 -2.38 -0.11 0.00 -2.06 0.00 0.00 37.83 33.17 2kku s LYS 38 CO 0.11 0.42 3.10 -0.35 0.10 0.00 0.00 175.35 178.72 2kku n PRO 39 N -0.67 3.10 -2.31 1.78 -0.04 -1.26 -3.78 135.00 131.82 2kku n PRO 39 Ca -0.08 -1.97 -0.03 0.00 -0.04 0.00 0.00 63.50 61.38 2kku n PRO 39 Cb 0.57 -2.43 0.06 0.00 -0.04 0.00 0.00 33.50 31.66 2kku n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kku n GLY 40 N 2.66 0.38 1.06 0.55 0.00 -1.15 -4.66 105.19 104.03 2kku n GLY 40 Ca 0.61 -0.08 -0.08 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.70 0.86 -4.21 1.61 2.81 -1.23 -5.01 117.12 111.25 2kku n MET 41 Ca -0.12 -1.09 -0.24 0.00 -1.81 0.00 0.00 57.70 54.44 2kku n MET 41 Cb 0.71 0.58 -0.07 0.00 -0.71 0.00 0.00 33.22 33.72 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 -2.50 2.23 -0.28 0.03 -2.85 -0.27 -0.93 119.74 115.17 2kku s LYS 42 Ca 0.06 -1.65 -0.03 0.00 -1.00 0.00 0.00 55.97 53.35 2kku s LYS 42 Cb 0.00 -2.05 0.09 0.00 -2.06 0.00 0.00 37.83 33.81 2kku s LYS 42 CO 0.04 0.11 0.10 0.12 0.10 0.00 0.00 175.35 175.83 2kku s PHE 43 N -2.48 0.94 -0.48 1.78 2.19 -0.32 -2.23 117.98 117.38 2kku s PHE 43 Ca 0.36 -1.17 -0.22 0.00 0.33 0.00 0.00 56.93 56.24 2kku s PHE 43 Cb -0.01 -1.22 0.04 0.00 -1.31 0.00 0.00 43.02 40.52 2kku s PHE 43 CO 0.21 -0.80 0.73 0.08 1.83 0.00 0.00 175.22 177.27 2kku s VAL 44 N 1.89 4.71 -0.16 3.12 1.01 -0.79 -0.73 120.40 129.44 2kku s VAL 44 Ca 0.08 0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.84 2kku s VAL 44 Cb -0.17 -4.32 -0.01 0.00 0.00 0.00 0.00 36.38 31.88 2kku s VAL 44 CO -0.27 -0.77 1.24 -0.36 0.00 0.00 0.00 175.10 174.94 2kku s PHE 45 N 3.10 2.90 0.28 5.22 0.08 0.24 -2.22 117.98 127.58 2kku s PHE 45 Ca 0.24 1.05 0.07 0.00 0.12 0.00 0.00 56.93 58.41 2kku s PHE 45 Cb -0.14 -3.48 -0.03 0.00 -0.57 0.00 0.00 43.02 38.79 2kku s PHE 45 CO 0.18 -1.59 0.24 -0.47 -0.10 0.00 0.00 175.22 173.48 2kku s TYR 46 N 3.39 3.06 -0.37 0.36 5.04 -0.46 -1.11 117.35 127.27 2kku s TYR 46 Ca 0.54 -0.16 -0.07 0.00 -2.44 0.00 0.00 57.07 54.93 2kku s TYR 46 Cb -0.21 -1.53 0.01 0.00 0.35 0.00 0.00 41.96 40.57 2kku s TYR 46 CO 0.14 0.41 0.44 0.94 -1.34 0.00 0.00 175.55 176.14 2kku n GLN 47 N -1.25 -1.39 -1.33 4.97 7.27 0.02 -3.76 117.38 121.90 2kku n GLN 47 Ca -0.06 1.47 -0.35 0.00 0.07 0.00 0.00 57.00 58.14 2kku n GLN 47 Cb 0.58 -4.40 0.11 0.00 2.41 0.00 0.00 30.24 28.94 2kku n GLN 47 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2kku s SER 48 N -2.31 3.93 0.48 1.69 0.15 -0.98 -4.76 113.70 111.91 2kku s SER 48 Ca 0.11 2.46 0.17 0.00 0.70 0.00 0.00 55.95 59.40 2kku s SER 48 Cb -0.03 -2.60 1.17 0.00 -1.71 0.00 0.00 66.02 62.85 2kku s SER 48 CO 0.52 -2.44 2.03 -0.74 1.20 0.00 0.00 173.24 173.81 2kku h HIS 49 N -0.39 0.22 0.00 3.44 2.76 -1.93 -3.37 115.15 115.87 2kku h HIS 49 Ca -0.48 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.70 2kku h HIS 49 Cb 1.31 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.20 2kku h HIS 49 CO 0.45 0.11 -0.26 -1.91 -1.30 0.00 0.00 177.93 175.02 2kku n GLU 50 N -4.46 0.14 -2.32 5.26 2.13 -1.26 -5.10 120.64 115.03 2kku n GLU 50 Ca 0.06 0.05 -0.15 0.00 0.66 0.00 0.00 57.16 57.78 2kku n GLU 50 Cb 0.34 -0.64 0.06 0.00 0.27 0.00 0.00 31.44 31.47 2kku n GLU 50 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 2kku n ASP 51 N -3.15 1.36 -4.12 4.31 5.75 -1.26 -5.08 116.55 114.36 2kku n ASP 51 Ca -0.04 -2.03 -0.37 0.00 -0.01 0.00 0.00 54.79 52.34 2kku n ASP 51 Cb 0.14 -0.38 -0.10 0.00 -1.03 0.00 0.00 41.12 39.75 2kku n ASP 51 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2kku s THR 52 N -1.88 3.68 -2.43 2.12 2.01 -1.26 -2.75 115.64 115.12 2kku s THR 52 Ca 0.47 -2.56 0.00 0.00 0.31 0.00 0.00 61.69 59.91 2kku s THR 52 Cb -0.03 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 69.04 2kku s THR 52 CO 0.30 -0.82 0.00 0.61 -0.69 0.00 0.00 174.62 174.03 2kku n GLY 53 N 3.97 -1.54 3.59 4.40 0.00 -1.26 -4.92 105.19 109.43 2kku n GLY 53 Ca 0.04 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.67 1.25 0.27 1.61 0.08 -0.10 -0.80 117.98 117.63 2kku s PHE 54 Ca 0.00 0.67 0.02 0.00 0.12 0.00 0.00 56.93 57.74 2kku s PHE 54 Cb 0.00 -3.92 0.38 0.00 -0.57 0.00 0.00 43.02 38.91 2kku s PHE 54 CO 0.00 -3.72 1.70 -0.24 -0.10 0.00 0.00 175.22 172.86 2kku h VAL 55 N 7.16 1.27 -0.62 -0.44 3.04 -1.41 -3.38 116.25 121.87 2kku h VAL 55 Ca -0.38 -1.31 0.00 0.00 -1.01 0.00 0.00 66.70 64.00 2kku h VAL 55 Cb 1.23 1.38 0.00 0.00 -2.01 0.00 0.00 31.29 31.89 2kku h VAL 55 CO 1.00 0.42 0.00 0.61 -1.01 0.00 0.00 177.57 178.58 2kku n GLY 56 N -0.33 0.62 3.29 3.17 0.00 -1.11 -0.81 105.19 110.02 2kku n GLY 56 Ca -0.01 -0.72 -0.17 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.71 1.64 0.15 1.61 -1.05 -0.42 -0.59 118.70 119.32 2kku s GLU 57 Ca 0.00 -1.88 -0.06 0.00 -0.15 0.00 0.00 54.97 52.88 2kku s GLU 57 Cb 0.00 0.33 0.02 0.00 -0.44 0.00 0.00 34.13 34.04 2kku s GLU 57 CO 0.00 -0.60 0.31 0.00 0.95 0.00 0.00 175.26 175.92 2kku n ALA 58 N -0.53 -0.72 -3.98 -0.84 0.00 0.09 -0.30 120.51 114.23 2kku n ALA 58 Ca 0.05 -0.48 -0.29 0.00 0.00 0.00 0.00 53.44 52.72 2kku n ALA 58 Cb 0.63 0.38 -0.17 0.00 0.00 0.00 0.00 19.45 20.29 2kku n ALA 58 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kku s ARG 59 N -2.03 2.05 0.08 0.00 1.81 0.28 -1.17 118.95 119.97 2kku s ARG 59 Ca 0.06 -0.50 -0.31 0.00 -1.72 0.00 0.00 55.73 53.27 2kku s ARG 59 Cb -0.02 -1.99 -0.07 0.00 -0.45 0.00 0.00 34.95 32.42 2kku s ARG 59 CO 0.04 -0.26 1.30 0.42 -0.68 0.00 0.00 175.30 176.12 2kku s ILE 60 N 1.54 3.66 0.38 1.52 1.01 -0.11 -1.84 121.20 127.37 2kku s ILE 60 Ca 0.04 1.19 0.04 0.00 0.00 0.00 0.00 60.65 61.92 2kku s ILE 60 Cb -0.13 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 2kku s ILE 60 CO -0.10 0.09 0.15 -0.54 0.00 0.00 0.00 174.94 174.54 2kku s LYS 61 N 1.14 1.84 -0.26 2.79 -0.14 0.87 -2.94 119.74 123.04 2kku s LYS 61 Ca 0.62 -2.10 -0.23 0.00 -1.36 0.00 0.00 55.97 52.90 2kku s LYS 61 Cb -0.33 -0.40 -0.10 0.00 -1.68 0.00 0.00 37.83 35.32 2kku s LYS 61 CO 0.30 -0.49 1.07 2.89 -0.76 0.00 0.00 175.35 178.36 2kku n ARG 62 N -0.81 0.00 -3.06 1.68 1.85 -1.26 -2.75 116.66 112.31 2kku n ARG 62 Ca -0.03 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.42 2kku n ARG 62 Cb 0.65 -0.78 -0.05 0.00 -1.05 0.00 0.00 32.46 31.23 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 2.90 4.99 -0.50 8.89 -7.23 -1.26 -3.71 120.40 124.49 2kku s VAL 63 Ca 0.61 1.30 -0.22 0.00 -1.81 0.00 0.00 61.98 61.86 2kku s VAL 63 Cb -0.78 -3.99 0.04 0.00 0.56 0.00 0.00 36.38 32.21 2kku s VAL 63 CO 0.35 0.10 0.77 -0.69 -0.31 0.00 0.00 175.10 175.32 2kku s VAL 64 N 1.89 4.66 -0.32 1.32 1.01 -0.62 -4.86 120.40 123.49 2kku s VAL 64 Ca 0.31 0.05 -0.22 0.00 0.00 0.00 0.00 61.98 62.12 2kku s VAL 64 Cb -0.16 -4.37 -0.00 0.00 0.00 0.00 0.00 36.38 31.85 2kku s VAL 64 CO 0.11 -0.86 0.72 -0.76 0.00 0.00 0.00 175.10 174.31 2kku s LEU 65 N 3.24 4.13 -0.18 3.92 1.43 -1.26 -1.18 118.68 128.78 2kku s LEU 65 Ca 0.24 0.50 -0.14 0.00 -1.03 0.00 0.00 54.13 53.71 2kku s LEU 65 Cb -0.15 -2.95 0.05 0.00 0.03 0.00 0.00 46.19 43.18 2kku s LEU 65 CO 0.18 -0.57 0.47 -0.55 0.23 0.00 0.00 176.35 176.10 2kku s SER 66 N 1.66 -0.54 0.33 2.29 0.15 -0.41 -5.02 113.70 112.16 2kku s SER 66 Ca 0.29 0.97 0.04 0.00 0.70 0.00 0.00 55.95 57.95 2kku s SER 66 Cb -0.14 0.93 0.58 0.00 -1.71 0.00 0.00 66.02 65.67 2kku s SER 66 CO 0.13 -0.18 1.86 -0.33 1.20 0.00 0.00 173.24 175.92 2kku h GLU 67 N 6.12 0.54 -5.24 5.44 5.08 -1.80 -0.44 114.58 124.28 2kku h GLU 67 Ca -0.31 -0.12 -0.62 0.00 -1.00 0.00 0.00 59.36 57.31 2kku h GLU 67 Cb 1.18 -0.08 -0.14 0.00 0.50 0.00 0.00 28.75 30.22 2kku h GLU 67 CO 0.24 0.57 -0.15 -0.80 -1.00 0.00 0.00 179.01 177.86 2kku s ASN 68 N -6.73 6.33 0.00 1.42 0.01 -1.26 -4.23 114.94 110.47 2kku s ASN 68 Ca -0.08 0.38 0.19 0.00 -0.71 0.00 0.00 52.86 52.64 2kku s ASN 68 Cb 0.15 -2.24 0.90 0.00 0.41 0.00 0.00 41.25 40.47 2kku s ASN 68 CO 0.77 -0.22 1.58 -0.81 -1.51 0.00 0.00 177.10 176.91 2kku n PRO 69 N 5.38 0.18 0.12 -0.60 -0.04 -1.26 -3.03 135.00 135.75 2kku n PRO 69 Ca -0.07 0.13 0.08 0.00 -0.04 0.00 0.00 63.50 63.60 2kku n PRO 69 Cb 0.50 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.49 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 -3.22 114.93 113.15 2kku h MET 70 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2kku h MET 70 Cb 0.22 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 2kku h MET 70 CO 0.00 0.13 -0.07 1.96 1.06 0.00 0.00 176.91 179.99 2kku h GLN 71 N 0.00 0.00 0.00 1.72 4.20 -1.97 -1.58 115.11 117.48 2kku h GLN 71 Ca -0.03 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.60 2kku h GLN 71 Cb 1.18 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.95 2kku h GLN 71 CO 0.02 0.07 -0.36 0.74 -0.67 0.00 0.00 178.83 178.63 2kku h PHE 72 N 0.00 0.00 0.03 2.96 0.04 -1.75 -2.30 116.94 115.92 2kku h PHE 72 Ca -0.00 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.52 2kku h PHE 72 Cb 0.38 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.50 2kku h PHE 72 CO 0.00 0.36 -1.25 0.74 -0.60 0.00 0.00 178.31 177.56 2kku h PHE 73 N 0.00 0.11 0.00 -0.55 0.04 -1.45 -0.02 116.94 115.06 2kku h PHE 73 Ca -0.00 -0.08 -0.14 0.00 2.80 0.00 0.00 57.97 60.55 2kku h PHE 73 Cb 0.86 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.98 2kku h PHE 73 CO 0.00 1.08 -0.66 1.05 -0.60 0.00 0.00 178.31 179.18 2kku h GLU 74 N 0.02 0.00 0.00 1.51 4.11 -1.44 -2.66 114.58 116.11 2kku h GLU 74 Ca -0.11 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.31 2kku h GLU 74 Cb 1.88 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.12 2kku h GLU 74 CO 0.13 0.66 -0.11 1.15 0.07 0.00 0.00 179.01 180.91 2kku h THR 75 N 0.00 0.17 0.00 -1.06 2.02 -1.47 -3.45 112.91 109.12 2kku h THR 75 Ca -0.01 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.03 2kku h THR 75 Cb 1.25 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 2kku h THR 75 CO 0.09 0.06 -0.69 0.49 0.37 0.00 0.00 175.52 175.84 2kku n PHE 76 N -4.73 0.00 0.00 3.16 3.72 -0.07 -5.01 117.46 114.53 2kku n PHE 76 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2kku n PHE 76 Cb 0.10 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.29 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 1.56 1.59 0.24 1.37 0.00 -0.88 -3.60 105.19 105.47 2kku n GLY 77 Ca -0.10 0.29 -0.06 0.00 0.00 0.00 0.00 46.02 46.16 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 0.67 1.01 1.61 3.58 -1.92 -2.99 116.42 118.38 2kku h ASP 78 Ca 0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2kku h ASP 78 Cb 0.00 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.89 2kku h ASP 78 CO 0.00 0.48 0.00 0.03 -2.88 0.00 0.00 179.24 176.87 2kku h ARG 79 N 0.80 0.00 -6.49 0.28 2.47 -1.89 -3.42 114.38 106.13 2kku h ARG 79 Ca 0.23 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 58.41 2kku h ARG 79 Cb -0.06 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 2kku h ARG 79 CO -0.06 0.00 0.48 0.08 0.56 0.00 0.00 179.97 181.03 2kku s VAL 80 N -3.63 4.30 0.20 2.04 1.01 -1.13 0.10 120.40 123.29 2kku s VAL 80 Ca 0.02 1.70 -0.10 0.00 0.00 0.00 0.00 61.98 63.60 2kku s VAL 80 Cb 0.09 -4.09 0.13 0.00 0.00 0.00 0.00 36.38 32.51 2kku s VAL 80 CO 0.53 0.16 1.75 2.19 0.00 0.00 0.00 175.10 179.73 2kku h PHE 81 N 6.49 0.41 -2.43 5.22 -0.00 -1.61 -3.41 116.94 121.61 2kku h PHE 81 Ca -0.42 0.03 -0.52 0.00 -0.00 0.00 0.00 57.97 57.06 2kku h PHE 81 Cb 1.22 -0.09 -0.03 0.00 -0.00 0.00 0.00 35.95 37.05 2kku h PHE 81 CO 0.66 0.12 -0.47 -0.48 -0.00 0.00 0.00 178.31 178.15 2kku s LEU 82 N -10.38 4.25 0.62 2.10 2.34 -1.26 -4.82 118.68 111.53 2kku s LEU 82 Ca -0.13 0.08 0.01 0.00 0.06 0.00 0.00 54.13 54.15 2kku s LEU 82 Cb 0.16 -2.81 0.07 0.00 -0.56 0.00 0.00 46.19 43.06 2kku s LEU 82 CO 0.74 0.01 0.87 0.28 -1.06 0.00 0.00 176.35 177.19 2kku s THR 83 N -1.85 2.42 0.29 5.48 -1.32 -1.26 -4.93 115.64 114.47 2kku s THR 83 Ca 0.34 -0.64 0.03 0.00 -1.21 0.00 0.00 61.69 60.21 2kku s THR 83 Cb -0.10 -2.78 0.28 0.00 -1.51 0.00 0.00 72.50 68.39 2kku s THR 83 CO 0.28 0.00 1.75 0.50 -2.21 0.00 0.00 174.62 174.94 2kku h LYS 84 N -0.18 0.62 -0.28 7.08 1.63 -1.97 -1.90 116.57 121.57 2kku h LYS 84 Ca -0.39 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.36 2kku h LYS 84 Cb 1.29 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.76 2kku h LYS 84 CO 0.47 0.41 0.14 -0.44 -3.45 0.00 0.00 179.45 176.59 2kku h ASP 85 N 0.64 0.36 -0.57 4.20 5.19 -2.00 -1.95 116.42 122.30 2kku h ASP 85 Ca 0.54 -0.11 -0.04 0.00 -0.62 0.00 0.00 57.03 56.80 2kku h ASP 85 Cb 0.87 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 40.26 2kku h ASP 85 CO -0.41 0.37 0.22 -0.33 -3.12 0.00 0.00 179.24 175.97 2kku h GLU 86 N 0.33 0.89 0.34 3.56 4.39 -1.74 -2.19 114.58 120.16 2kku h GLU 86 Ca 0.10 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 2kku h GLU 86 Cb 0.10 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2kku h GLU 86 CO -0.01 0.75 -0.16 1.25 -1.16 0.00 0.00 179.01 179.67 2kku h LEU 87 N 0.87 -0.38 -0.51 1.33 5.85 -1.18 -1.97 115.31 119.32 2kku h LEU 87 Ca 0.20 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 2kku h LEU 87 Cb 0.21 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 2kku h LEU 87 CO -0.01 -0.11 0.20 0.07 -0.34 0.00 0.00 178.44 178.24 2kku h LYS 88 N -0.65 0.77 0.00 1.25 5.09 -1.24 -1.94 116.57 119.85 2kku h LYS 88 Ca -0.05 -0.14 -0.05 0.00 0.09 0.00 0.00 60.65 60.50 2kku h LYS 88 Cb 0.46 -0.12 -0.01 0.00 0.10 0.00 0.00 32.23 32.66 2kku h LYS 88 CO 0.08 0.68 -0.26 1.05 -2.09 0.00 0.00 179.45 178.91 2kku h GLU 89 N 0.69 0.00 -0.35 0.07 4.11 -1.49 -0.54 114.58 117.08 2kku h GLU 89 Ca 0.17 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.56 2kku h GLU 89 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2kku h GLU 89 CO -0.01 0.26 0.06 -0.92 0.07 0.00 0.00 179.01 178.46 2kku h TYR 90 N 0.00 0.61 0.00 2.06 3.20 -0.93 -0.49 116.97 121.42 2kku h TYR 90 Ca -0.00 -0.09 -0.18 0.00 3.14 0.00 0.00 58.73 61.60 2kku h TYR 90 Cb 0.89 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.97 2kku h TYR 90 CO 0.00 0.64 -0.84 0.52 -1.64 0.00 0.00 178.16 176.84 2kku h MET 91 N 0.41 0.03 0.00 1.82 2.86 -1.00 -2.72 114.93 116.33 2kku h MET 91 Ca 0.11 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2kku h MET 91 Cb 0.35 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.03 2kku h MET 91 CO 0.01 0.85 -0.01 0.87 1.06 0.00 0.00 176.91 179.69 2kku h LYS 92 N 0.02 0.00 -0.01 1.72 1.79 -1.10 -2.89 116.57 116.09 2kku h LYS 92 Ca -0.02 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.25 2kku h LYS 92 Cb 1.48 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.12 2kku h LYS 92 CO 0.11 0.01 -0.86 1.03 -1.08 0.00 0.00 179.45 178.66 2kku h SER 93 N 0.00 0.38 1.19 0.86 0.87 -0.79 -3.27 113.55 112.79 2kku h SER 93 Ca -0.00 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 2kku h SER 93 Cb 0.71 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2kku h SER 93 CO 0.00 1.08 0.00 1.56 -0.53 0.00 0.00 176.83 178.94 2kku h GLN 94 N 0.18 0.00 0.00 2.24 1.08 -1.27 -2.07 115.11 115.27 2kku h GLN 94 Ca -0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2kku h GLN 94 Cb 1.47 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.90 2kku h GLN 94 CO 0.14 0.00 -0.69 -0.85 -0.95 0.00 0.00 178.83 176.48 2kku n GLU 95 N -2.91 0.02 -0.06 1.46 0.28 -1.22 -1.79 120.64 116.44 2kku n GLU 95 Ca 0.02 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 57.01 2kku n GLU 95 Cb 0.34 -1.51 -0.15 0.00 1.43 0.00 0.00 31.44 31.55 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 -1.54 0.80 0.01 3.44 1.85 -1.04 -4.40 116.66 115.79 2kku n ARG 96 Ca 0.05 -0.09 0.05 0.00 -1.00 0.00 0.00 57.85 56.87 2kku n ARG 96 Cb 0.34 -1.48 -0.11 0.00 -1.05 0.00 0.00 32.46 30.17 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 -2.48 0.47 -4.24 2.89 5.03 -0.81 -5.01 117.44 113.30 2kku n TRP 97 Ca -0.19 0.15 -0.14 0.00 3.03 0.00 0.00 57.50 60.35 2kku n TRP 97 Cb 0.85 -0.83 -0.05 0.00 -1.03 0.00 0.00 31.31 30.26 2kku n TRP 97 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2kku n GLY 98 N 1.34 3.41 3.44 6.99 0.00 -0.74 -5.08 105.19 114.56 2kku n GLY 98 Ca -0.09 -1.91 -0.44 0.00 0.00 0.00 0.00 46.02 43.59 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 -2.93 3.00 -0.25 1.61 3.00 -1.26 -4.13 118.95 118.00 2kku s ARG 99 Ca 0.20 -1.08 0.16 0.00 0.00 0.00 0.00 55.73 55.02 2kku s ARG 99 Cb 0.01 -4.04 0.48 0.00 0.00 0.00 0.00 34.95 31.40 2kku s ARG 99 CO 0.14 -0.89 1.15 0.54 0.00 0.00 0.00 175.30 176.24 2kku n ARG 100 N 5.31 2.31 0.05 3.54 1.74 -1.26 -4.80 116.66 123.55 2kku n ARG 100 Ca -0.11 -3.64 0.08 0.00 -0.77 0.00 0.00 57.85 53.42 2kku n ARG 100 Cb 0.46 -1.75 -0.07 0.00 -1.02 0.00 0.00 32.46 30.08 2kku n ARG 100 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2kku n ARG 101 N -0.59 0.63 0.19 5.56 1.74 -1.26 -4.50 116.66 118.42 2kku n ARG 101 Ca 0.22 0.04 -0.14 0.00 -0.77 0.00 0.00 57.85 57.20 2kku n ARG 101 Cb 0.88 -1.72 -0.08 0.00 -1.02 0.00 0.00 32.46 30.52 2kku n ARG 101 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2kku h GLU 102 N 0.00 -0.44 -2.85 5.56 3.07 -2.02 -3.47 114.58 114.42 2kku h GLU 102 Ca -0.06 0.03 0.05 0.00 -0.50 0.00 0.00 59.36 58.89 2kku h GLU 102 Cb 1.16 0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 29.15 2kku h GLU 102 CO 0.01 -0.17 0.34 0.45 -1.40 0.00 0.00 179.01 178.24 2kku s SER 103 N -4.95 -0.08 -0.09 1.42 0.15 -1.26 -5.09 113.70 103.80 2kku s SER 103 Ca -0.15 -0.86 -0.09 0.00 0.70 0.00 0.00 55.95 55.56 2kku s SER 103 Cb 0.03 0.73 -0.06 0.00 -1.71 0.00 0.00 66.02 65.00 2kku s SER 103 CO 0.58 -1.41 0.31 0.11 1.20 0.00 0.00 173.24 174.04 2kku h LYS 104 N 2.00 -0.13 -4.31 5.44 1.79 -1.92 -3.46 116.57 115.98 2kku h LYS 104 Ca -0.27 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 2kku h LYS 104 Cb 1.24 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 2kku h LYS 104 CO 0.34 0.07 -0.45 1.17 -1.08 0.00 0.00 179.45 179.50 2kku n LYS 105 N -4.85 -2.36 -1.69 3.15 4.81 -1.26 -5.00 118.16 110.95 2kku n LYS 105 Ca -0.03 1.71 -0.29 0.00 -0.87 0.00 0.00 58.31 58.82 2kku n LYS 105 Cb 0.13 -2.41 0.10 0.00 0.02 0.00 0.00 35.03 32.87 2kku n LYS 105 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 2kku s LYS 106 N -0.27 1.79 0.06 1.64 0.00 -1.26 -5.10 119.74 116.61 2kku s LYS 106 Ca 0.00 0.33 0.04 0.00 0.00 0.00 0.00 55.97 56.35 2kku s LYS 106 Cb 0.00 -1.91 -0.03 0.00 0.00 0.00 0.00 37.83 35.89 2kku s LYS 106 CO 0.00 -1.76 -0.13 0.21 0.00 0.00 0.00 175.35 173.68 2kku s LYS 107 N -5.35 0.76 -0.91 1.78 2.47 -1.26 -5.08 119.74 112.14 2kku s LYS 107 Ca 0.62 -0.91 -0.24 0.00 -1.56 0.00 0.00 55.97 53.88 2kku s LYS 107 Cb -0.13 -0.71 0.02 0.00 -1.46 0.00 0.00 37.83 35.54 2kku s LYS 107 CO 0.52 0.15 1.57 -1.17 0.16 0.00 0.00 175.35 176.59 2kku s LEU 108 N -1.69 3.35 0.67 5.43 1.98 -1.26 -4.18 118.68 122.98 2kku s LEU 108 Ca -0.04 -0.96 -0.11 0.00 -2.89 0.00 0.00 54.13 50.12 2kku s LEU 108 Cb -0.10 -2.56 -0.00 0.00 0.66 0.00 0.00 46.19 44.18 2kku s LEU 108 CO 0.02 -1.93 1.05 0.26 -1.89 0.00 0.00 176.35 173.87 2kku s TRP 109 N 6.65 3.15 -0.02 5.38 0.52 -0.18 -3.19 118.94 131.26 2kku s TRP 109 Ca 0.52 1.42 -0.00 0.00 0.02 0.00 0.00 56.10 58.06 2kku s TRP 109 Cb -0.04 -2.88 0.03 0.00 -1.15 0.00 0.00 33.47 29.43 2kku s TRP 109 CO -0.01 -1.15 0.03 0.00 0.02 0.00 0.00 176.95 175.84 2kku s MET 110 N -4.92 -0.04 -0.55 4.98 0.23 0.05 -1.29 119.30 117.76 2kku s MET 110 Ca 0.58 0.20 -0.18 0.00 -1.03 0.00 0.00 55.69 55.26 2kku s MET 110 Cb -0.14 -0.26 0.10 0.00 -1.53 0.00 0.00 34.83 33.01 2kku s MET 110 CO 0.52 -0.17 0.59 0.00 -2.03 0.00 0.00 175.02 173.92 2kku s ALA 111 N 1.11 3.51 -0.38 3.16 0.00 -0.32 -1.18 121.76 127.66 2kku s ALA 111 Ca -0.09 -2.26 -0.29 0.00 0.00 0.00 0.00 51.96 49.33 2kku s ALA 111 Cb -0.13 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 19.65 2kku s ALA 111 CO -0.03 -2.12 1.08 0.42 0.00 0.00 0.00 175.76 175.11 2kku s ILE 112 N 2.18 4.41 -0.46 0.00 1.01 -0.43 -1.59 121.20 126.32 2kku s ILE 112 Ca 0.08 1.49 -0.28 0.00 0.00 0.00 0.00 60.65 61.94 2kku s ILE 112 Cb -0.26 -4.48 0.03 0.00 0.01 0.00 0.00 42.46 37.76 2kku s ILE 112 CO 0.06 -0.68 1.07 -0.70 0.00 0.00 0.00 174.94 174.68 2kku s GLU 113 N 3.93 3.70 -0.11 2.79 2.12 -1.11 -1.21 118.70 128.80 2kku s GLU 113 Ca 0.46 0.48 -0.15 0.00 0.36 0.00 0.00 54.97 56.12 2kku s GLU 113 Cb -0.10 -3.90 -0.05 0.00 0.26 0.00 0.00 34.13 30.34 2kku s GLU 113 CO 0.22 -1.29 0.37 -0.51 -0.54 0.00 0.00 175.26 173.50 2kku s LEU 114 N 4.17 4.31 0.23 2.70 2.01 0.82 -0.09 118.68 132.82 2kku s LEU 114 Ca 0.44 0.70 0.00 0.00 0.01 0.00 0.00 54.13 55.28 2kku s LEU 114 Cb -0.08 -2.51 -0.04 0.00 0.01 0.00 0.00 46.19 43.57 2kku s LEU 114 CO 0.29 0.12 0.13 -1.83 1.01 0.00 0.00 176.35 176.07 2kku s GLU 115 N 0.15 1.30 -1.54 1.70 -1.05 -0.77 -1.14 118.70 117.37 2kku s GLU 115 Ca 0.21 -1.70 -0.05 0.00 -0.15 0.00 0.00 54.97 53.28 2kku s GLU 115 Cb -0.14 0.12 0.01 0.00 -0.44 0.00 0.00 34.13 33.67 2kku s GLU 115 CO 0.08 -0.38 0.69 -3.47 0.95 0.00 0.00 175.26 173.13 2kku n ASP 116 N -0.42 -6.17 -4.56 0.83 2.03 -0.98 -0.56 116.55 106.71 2kku n ASP 116 Ca 0.02 -0.33 -0.40 0.00 0.52 0.00 0.00 54.79 54.61 2kku n ASP 116 Cb 0.66 -4.97 -0.03 0.00 -0.72 0.00 0.00 41.12 36.06 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 -3.20 3.40 0.27 5.18 1.01 -1.21 -4.48 120.40 121.37 2kku s VAL 117 Ca 0.35 0.29 -0.20 0.00 0.00 0.00 0.00 61.98 62.42 2kku s VAL 117 Cb -0.15 -3.87 -0.09 0.00 0.00 0.00 0.00 36.38 32.27 2kku s VAL 117 CO 0.43 -0.78 0.78 -0.75 0.00 0.00 0.00 175.10 174.78 2kku s LYS 118 N 6.67 4.28 -0.25 2.72 2.47 0.59 -4.85 119.74 131.37 2kku s LYS 118 Ca 0.70 0.94 -0.10 0.00 -1.56 0.00 0.00 55.97 55.95 2kku s LYS 118 Cb -0.15 -2.76 -0.05 0.00 -1.46 0.00 0.00 37.83 33.42 2kku s LYS 118 CO 0.24 0.31 0.15 0.15 0.16 0.00 0.00 175.35 176.36 2kku s LYS 119 N -2.21 3.94 -1.17 4.03 -0.14 -1.26 -1.30 119.74 121.64 2kku s LYS 119 Ca 0.47 -0.33 -0.20 0.00 -1.36 0.00 0.00 55.97 54.55 2kku s LYS 119 Cb -0.16 -3.53 0.07 0.00 -1.68 0.00 0.00 37.83 32.53 2kku s LYS 119 CO 0.21 -0.07 1.59 0.71 -0.76 0.00 0.00 175.35 177.03 2kku s TYR 120 N 1.39 2.71 0.42 3.18 2.02 0.01 -4.77 117.35 122.31 2kku s TYR 120 Ca 0.07 -1.30 0.08 0.00 -0.37 0.00 0.00 57.07 55.55 2kku s TYR 120 Cb -0.15 -4.71 0.90 0.00 -0.40 0.00 0.00 41.96 37.60 2kku s TYR 120 CO 0.07 -1.84 2.06 -0.44 -1.57 0.00 0.00 175.55 173.82 2kku h ASP 121 N 8.55 0.40 -3.66 2.29 5.19 -1.91 -3.42 116.42 123.87 2kku h ASP 121 Ca 0.33 -0.02 -0.50 0.00 -0.62 0.00 0.00 57.03 56.22 2kku h ASP 121 Cb 0.93 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.32 2kku h ASP 121 CO 1.43 0.31 0.36 -1.59 -3.12 0.00 0.00 179.24 176.63 2kku s LYS 122 N -5.39 4.78 -0.81 3.56 -2.85 -1.26 -5.00 119.74 112.76 2kku s LYS 122 Ca -0.08 1.47 -0.25 0.00 -1.00 0.00 0.00 55.97 56.11 2kku s LYS 122 Cb 0.17 -3.33 0.01 0.00 -2.06 0.00 0.00 37.83 32.62 2kku s LYS 122 CO 0.72 0.36 1.56 -1.25 0.10 0.00 0.00 175.35 176.85 2kku s PRO 123 N -0.58 3.07 -0.22 1.78 0.04 -1.26 -4.97 135.00 132.86 2kku s PRO 123 Ca 0.44 -0.30 -0.16 0.00 0.04 0.00 0.00 61.00 61.03 2kku s PRO 123 Cb -0.25 -4.68 -0.04 0.00 0.04 0.00 0.00 34.50 29.57 2kku s PRO 123 CO 0.31 -2.50 0.40 0.42 0.04 0.00 0.00 177.00 175.67 2kku s ILE 124 N 6.99 5.19 -0.00 0.56 1.01 -1.26 -5.00 121.20 128.68 2kku s ILE 124 Ca 0.51 0.68 -0.08 0.00 0.00 0.00 0.00 60.65 61.76 2kku s ILE 124 Cb -0.07 -3.72 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 2kku s ILE 124 CO 0.07 0.22 0.28 -0.54 0.00 0.00 0.00 174.94 174.97 2kku s LYS 125 N 1.54 3.61 0.66 2.79 3.01 -1.26 -0.92 119.74 129.17 2kku s LYS 125 Ca 0.18 -0.01 -0.12 0.00 -1.01 0.00 0.00 55.97 55.01 2kku s LYS 125 Cb -0.15 -3.10 -0.01 0.00 -1.01 0.00 0.00 37.83 33.56 2kku s LYS 125 CO 0.08 0.66 1.05 -1.25 0.51 0.00 0.00 175.35 176.41 2kku s PRO 126 N -1.61 3.09 0.02 -1.68 0.04 -1.26 -4.96 135.00 128.64 2kku s PRO 126 Ca 0.26 1.00 0.28 0.00 0.04 0.00 0.00 61.00 62.58 2kku s PRO 126 Cb -0.13 -2.01 1.10 0.00 0.04 0.00 0.00 34.50 33.50 2kku s PRO 126 CO 0.14 -0.98 1.85 1.63 0.04 0.00 0.00 177.00 179.68 2kku n LYS 127 N -2.82 0.02 -3.97 4.56 4.01 -1.26 -4.91 118.16 113.79 2kku n LYS 127 Ca 0.08 0.02 -0.10 0.00 -0.51 0.00 0.00 58.31 57.80 2kku n LYS 127 Cb 0.53 -1.53 -0.03 0.00 -0.51 0.00 0.00 35.03 33.49 2kku n LYS 127 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 2kku s ARG 128 N -3.01 1.76 -0.17 1.97 1.70 -1.26 -5.13 118.95 114.81 2kku s ARG 128 Ca 0.13 -1.34 -0.29 0.00 -0.47 0.00 0.00 55.73 53.76 2kku s ARG 128 Cb 0.18 0.51 -0.02 0.00 -0.57 0.00 0.00 34.95 35.05 2kku s ARG 128 CO 0.56 -0.76 1.33 -1.17 -1.08 0.00 0.00 175.30 174.18 2kku s LEU 129 N -3.05 4.16 -0.53 -1.89 1.98 -1.26 -5.00 118.68 113.09 2kku s LEU 129 Ca 0.21 1.70 -0.13 0.00 -2.89 0.00 0.00 54.13 53.03 2kku s LEU 129 Cb -0.02 -3.54 0.13 0.00 0.66 0.00 0.00 46.19 43.42 2kku s LEU 129 CO 0.11 -0.83 0.45 -0.69 -1.89 0.00 0.00 176.35 173.50 2kku s VAL 130 N 3.72 4.81 0.64 1.68 1.01 -1.26 -4.94 120.40 126.05 2kku s VAL 130 Ca 0.58 -1.68 -0.11 0.00 0.00 0.00 0.00 61.98 60.77 2kku s VAL 130 Cb -0.23 -4.11 0.15 0.00 0.00 0.00 0.00 36.38 32.19 2kku s VAL 130 CO 0.18 -0.84 0.84 -0.81 0.00 0.00 0.00 175.10 174.47 2kku n PRO 131 N 5.03 -0.95 0.28 2.72 -0.04 -1.26 -4.68 135.00 136.10 2kku n PRO 131 Ca -0.10 -1.31 0.12 0.00 -0.04 0.00 0.00 63.50 62.18 2kku n PRO 131 Cb 0.41 -0.89 0.81 0.00 -0.04 0.00 0.00 33.50 33.79 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 -1.55 0.71 0.00 0.52 3.04 -1.99 0.09 116.25 117.07 2kku h VAL 132 Ca -0.28 -0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.36 2kku h VAL 132 Cb 0.76 1.00 -0.01 0.00 -2.01 0.00 0.00 31.29 31.04 2kku h VAL 132 CO 0.19 0.00 -0.27 1.23 -1.01 0.00 0.00 177.57 177.71 2kku h GLY 133 N 0.00 0.00 0.00 3.17 0.00 -1.94 -3.46 103.07 100.84 2kku h GLY 133 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kku h GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2kku n GLY 134 N -0.18 -2.23 3.64 4.60 0.00 0.02 -4.96 105.19 106.08 2kku n GLY 134 Ca -0.01 -1.33 -0.33 0.00 0.00 0.00 0.00 46.02 44.35 2kku n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kku s GLN 135 N -4.35 2.78 -0.53 1.61 -1.52 -0.81 -4.87 119.66 111.98 2kku s GLN 135 Ca 0.00 -0.57 -0.28 0.00 -1.95 0.00 0.00 55.36 52.56 2kku s GLN 135 Cb 0.00 -2.65 0.02 0.00 -0.22 0.00 0.00 33.01 30.17 2kku s GLN 135 CO 0.00 0.65 1.25 0.71 -0.25 0.00 0.00 175.29 177.65 2kku s TYR 136 N -0.95 2.57 -0.23 0.91 2.02 -1.26 -1.05 117.35 119.36 2kku s TYR 136 Ca 0.16 0.54 -0.29 0.00 -0.37 0.00 0.00 57.07 57.11 2kku s TYR 136 Cb -0.11 -4.45 -0.01 0.00 -0.40 0.00 0.00 41.96 36.99 2kku s TYR 136 CO 0.06 -1.63 1.38 -1.17 -1.57 0.00 0.00 175.55 172.61 2kku s LEU 137 N 5.11 4.00 -0.05 -1.29 0.20 -0.17 -4.95 118.68 121.53 2kku s LEU 137 Ca 0.49 1.50 0.04 0.00 0.69 0.00 0.00 54.13 56.85 2kku s LEU 137 Cb -0.09 -3.54 -0.00 0.00 -0.43 0.00 0.00 46.19 42.13 2kku s LEU 137 CO 0.28 -1.01 -0.18 0.00 -0.29 0.00 0.00 176.35 175.15 2kku s ARG 138 N 4.07 1.98 0.00 1.98 3.03 -1.26 -1.48 118.95 127.26 2kku s ARG 138 Ca 0.60 -0.64 0.00 0.00 2.03 0.00 0.00 55.73 57.72 2kku s ARG 138 Cb -0.21 -1.67 0.00 0.00 -1.03 0.00 0.00 34.95 32.04 2kku s ARG 138 CO 0.22 0.22 0.36 -1.91 -1.13 0.00 0.00 175.30 173.06