#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 0.49 0.31 6.12 2.88 -1.26 -2.06 113.62 120.10 2kku n SER 2 Ca 0.00 0.73 0.20 0.00 -1.33 0.00 0.00 58.87 58.47 2kku n SER 2 Cb 0.00 -0.79 0.99 0.00 -0.75 0.00 0.00 64.21 63.66 2kku n SER 2 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2kku h LYS 3 N 0.00 0.00 0.00 -1.46 2.10 -1.98 -3.49 116.57 111.74 2kku h LYS 3 Ca 0.00 0.00 0.12 0.00 -2.00 0.00 0.00 60.65 58.77 2kku h LYS 3 Cb 0.01 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.31 2kku h LYS 3 CO 0.00 0.00 -0.16 -0.89 -2.00 0.00 0.00 179.45 176.40 2kku n ILE 4 N -3.11 0.00 0.00 0.07 2.08 -0.88 -4.96 119.36 112.57 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 0.17 -0.15 0.00 0.00 -0.75 0.00 0.00 39.64 38.91 2kku n ILE 4 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 2kku n VAL 5 N -2.23 0.00 -2.63 1.39 0.24 -0.56 -3.08 118.33 111.47 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 0.20 -0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.51 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 -0.10 1.96 3.41 7.63 0.00 -0.82 -1.81 105.19 115.47 2kku n GLY 6 Ca 0.00 -0.76 -0.28 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.63 2.37 -0.07 1.61 0.11 -0.64 -1.08 120.40 120.07 2kku s VAL 7 Ca 0.00 -1.79 0.04 0.00 -2.93 0.00 0.00 61.98 57.30 2kku s VAL 7 Cb 0.00 -2.08 -0.00 0.00 -1.53 0.00 0.00 36.38 32.77 2kku s VAL 7 CO 0.00 0.04 -0.21 0.28 -3.33 0.00 0.00 175.10 171.88 2kku s THR 8 N -1.23 1.76 0.02 5.04 -1.32 -0.17 -1.59 115.64 118.15 2kku s THR 8 Ca 0.16 -0.87 0.04 0.00 -1.21 0.00 0.00 61.69 59.82 2kku s THR 8 Cb -0.10 -1.52 -0.02 0.00 -1.51 0.00 0.00 72.50 69.36 2kku s THR 8 CO 0.08 0.49 -0.12 -0.31 -2.21 0.00 0.00 174.62 172.55 2kku s TYR 9 N 0.22 1.06 -0.39 9.09 2.02 -0.99 -1.73 117.35 126.62 2kku s TYR 9 Ca -0.11 -0.30 0.27 0.00 -0.37 0.00 0.00 57.07 56.55 2kku s TYR 9 Cb -0.15 -0.64 0.91 0.00 -0.40 0.00 0.00 41.96 41.68 2kku s TYR 9 CO 0.05 0.01 1.78 -1.00 -1.57 0.00 0.00 175.55 174.82 2kku h PRO 10 N 5.23 0.00 -5.97 -1.71 0.13 -1.79 0.56 132.00 128.45 2kku h PRO 10 Ca -0.35 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.58 2kku h PRO 10 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 2kku h PRO 10 CO 0.46 0.00 -0.91 -0.89 -0.23 0.00 0.00 178.00 176.43 2kku n ILE 11 N -2.62 -7.13 1.35 -3.56 2.08 -1.26 -4.06 119.36 104.16 2kku n ILE 11 Ca 0.03 0.51 0.00 0.00 0.56 0.00 0.00 62.75 63.85 2kku n ILE 11 Cb 0.36 -5.21 0.00 0.00 -0.75 0.00 0.00 39.64 34.04 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 -0.12 0.93 -4.05 0.38 -0.04 -1.26 -4.75 135.00 126.09 2kku n PRO 12 Ca 0.01 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 2kku n PRO 12 Cb 0.56 -1.25 -0.06 0.00 -0.04 0.00 0.00 33.50 32.71 2kku n PRO 12 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2kku s LYS 13 N -1.45 2.97 0.00 0.54 3.01 -1.26 -5.02 119.74 118.53 2kku s LYS 13 Ca 0.00 -0.75 0.09 0.00 -1.01 0.00 0.00 55.97 54.30 2kku s LYS 13 Cb 0.00 -2.73 0.41 0.00 -1.01 0.00 0.00 37.83 34.50 2kku s LYS 13 CO 0.00 0.53 1.24 2.89 0.51 0.00 0.00 175.35 180.52 2kku n ARG 14 N -0.02 0.05 -0.99 1.68 1.85 -1.26 -2.84 116.66 115.13 2kku n ARG 14 Ca -0.08 0.29 -0.15 0.00 -1.00 0.00 0.00 57.85 56.91 2kku n ARG 14 Cb 0.53 -1.50 0.19 0.00 -1.05 0.00 0.00 32.46 30.63 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 -1.42 2.46 0.21 2.89 3.72 -1.26 -4.42 117.46 119.64 2kku n PHE 15 Ca 0.03 -1.45 0.05 0.00 -0.05 0.00 0.00 57.45 56.03 2kku n PHE 15 Cb 0.09 -0.77 0.48 0.00 -0.94 0.00 0.00 39.48 38.35 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 1.35 0.02 0.00 -1.08 -0.00 -1.82 -3.04 114.93 110.37 2kku h MET 16 Ca 0.44 -0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 60.11 2kku h MET 16 Cb 2.44 -0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 34.03 2kku h MET 16 CO 0.84 0.21 -0.11 -0.44 -0.00 0.00 0.00 176.91 177.41 2kku h ASP 17 N 0.02 0.00 -0.86 -0.10 3.32 -1.89 -3.29 116.42 113.62 2kku h ASP 17 Ca 0.00 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.10 2kku h ASP 17 Cb 0.35 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.85 2kku h ASP 17 CO 0.03 0.11 0.56 0.03 -1.72 0.00 0.00 179.24 178.25 2kku h ARG 18 N 0.00 1.01 -0.02 3.56 2.47 -1.88 0.21 114.38 119.73 2kku h ARG 18 Ca -0.00 -0.06 -0.08 0.00 -1.26 0.00 0.00 59.98 58.58 2kku h ARG 18 Cb 0.69 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.77 2kku h ARG 18 CO 0.01 0.67 -0.35 0.74 0.56 0.00 0.00 179.97 181.60 2kku h PHE 19 N 1.04 0.04 -0.00 3.04 -1.00 -1.79 -2.44 116.94 115.82 2kku h PHE 19 Ca 0.35 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.12 2kku h PHE 19 Cb 0.09 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.64 2kku h PHE 19 CO -0.00 0.38 -0.72 1.19 -1.61 0.00 0.00 178.31 177.55 2kku n PHE 20 N -4.11 0.00 -0.07 -0.55 3.72 -0.52 -3.04 117.46 112.88 2kku n PHE 20 Ca -0.02 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.28 2kku n PHE 20 Cb 0.40 -0.07 -0.07 0.00 -0.94 0.00 0.00 39.48 38.80 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 0.56 0.00 0.00 -1.08 3.11 -0.23 -3.40 116.57 115.52 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 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.78 2kku h LYS 21 CO 0.00 0.54 -1.26 0.36 -2.81 0.00 0.00 179.45 176.27 2kku n LYS 22 N -4.61 0.25 0.00 1.90 2.85 -0.96 -4.99 118.16 112.61 2kku n LYS 22 Ca -0.13 -0.06 0.00 0.00 -1.05 0.00 0.00 58.31 57.08 2kku n LYS 22 Cb 0.37 -1.53 0.00 0.00 -0.65 0.00 0.00 35.03 33.22 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 1.40 2.97 3.02 2.58 0.00 -1.17 -4.91 105.19 109.09 2kku n GLY 23 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.20 0.23 0.44 1.61 -2.85 -1.26 -3.53 119.74 114.18 2kku s LYS 24 Ca 0.00 0.71 0.03 0.00 -1.00 0.00 0.00 55.97 55.71 2kku s LYS 24 Cb 0.00 -0.18 -0.04 0.00 -2.06 0.00 0.00 37.83 35.55 2kku s LYS 24 CO 0.00 -0.39 0.04 0.34 0.10 0.00 0.00 175.35 175.44 2kku s ASP 25 N 2.48 3.53 -0.23 0.03 -1.08 -1.01 -4.89 116.67 115.49 2kku s ASP 25 Ca 0.03 -1.56 0.00 0.00 -0.52 0.00 0.00 52.55 50.50 2kku s ASP 25 Cb -0.13 0.25 0.06 0.00 -1.46 0.00 0.00 42.92 41.64 2kku s ASP 25 CO -0.11 -0.76 -0.04 -0.69 0.52 0.00 0.00 175.17 174.10 2kku s VAL 26 N -2.98 1.40 -0.48 1.11 1.01 -0.57 -0.42 120.40 119.47 2kku s VAL 26 Ca 0.20 -1.16 -0.23 0.00 0.00 0.00 0.00 61.98 60.78 2kku s VAL 26 Cb 0.05 -1.71 0.03 0.00 0.00 0.00 0.00 36.38 34.75 2kku s VAL 26 CO 0.10 -0.14 0.83 0.12 0.00 0.00 0.00 175.10 176.01 2kku s PHE 27 N 1.45 2.94 -0.01 5.22 5.36 -0.11 -2.88 117.98 129.95 2kku s PHE 27 Ca -0.04 0.11 -0.16 0.00 -0.96 0.00 0.00 56.93 55.88 2kku s PHE 27 Cb -0.19 -3.79 -0.06 0.00 -0.34 0.00 0.00 43.02 38.65 2kku s PHE 27 CO -0.07 -1.09 0.44 0.14 -1.46 0.00 0.00 175.22 173.18 2kku s VAL 28 N 3.47 5.01 0.05 3.12 -7.23 -1.26 -1.18 120.40 122.38 2kku s VAL 28 Ca 0.30 0.90 0.05 0.00 -1.81 0.00 0.00 61.98 61.43 2kku s VAL 28 Cb -0.12 -3.75 -0.03 0.00 0.56 0.00 0.00 36.38 33.04 2kku s VAL 28 CO 0.22 0.54 -0.15 -0.54 -0.31 0.00 0.00 175.10 174.86 2kku s LYS 29 N -0.82 0.95 -0.44 4.82 -0.14 -0.45 -5.00 119.74 118.65 2kku s LYS 29 Ca 0.25 -0.86 -0.06 0.00 -1.36 0.00 0.00 55.97 53.93 2kku s LYS 29 Cb -0.17 -0.98 -0.18 0.00 -1.68 0.00 0.00 37.83 34.81 2kku s LYS 29 CO 0.14 0.24 3.03 -0.35 -0.76 0.00 0.00 175.35 177.64 2kku n PRO 30 N 1.64 2.18 -3.88 -1.68 -0.04 -1.26 -0.86 135.00 131.10 2kku n PRO 30 Ca -0.19 -1.21 -0.33 0.00 -0.04 0.00 0.00 63.50 61.73 2kku n PRO 30 Cb 0.54 -2.17 0.01 0.00 -0.04 0.00 0.00 33.50 31.84 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 2.96 -2.57 -0.02 0.55 0.00 -1.24 -4.83 120.51 115.36 2kku n ALA 31 Ca 0.47 -0.41 -0.03 0.00 0.00 0.00 0.00 53.44 53.47 2kku n ALA 31 Cb 0.60 -1.49 -0.13 0.00 0.00 0.00 0.00 19.45 18.44 2kku n ALA 31 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2kku n THR 32 N -3.62 1.19 -2.48 0.00 -1.04 -1.26 -4.97 114.28 102.10 2kku n THR 32 Ca -0.20 -0.74 -0.33 0.00 -2.04 0.00 0.00 64.05 60.75 2kku n THR 32 Cb 0.57 -0.64 -0.04 0.00 -1.82 0.00 0.00 70.33 68.41 2kku n THR 32 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2kku s VAL 33 N -2.81 4.30 1.08 12.58 -7.23 -1.26 -5.08 120.40 121.98 2kku s VAL 33 Ca -0.06 1.23 -0.13 0.00 -1.81 0.00 0.00 61.98 61.21 2kku s VAL 33 Cb 0.08 -3.61 0.23 0.00 0.56 0.00 0.00 36.38 33.65 2kku s VAL 33 CO 0.83 -0.51 1.06 0.86 -0.31 0.00 0.00 175.10 177.03 2kku s TRP 34 N -2.40 1.76 -1.78 2.82 -0.11 -1.26 -4.92 118.94 113.04 2kku s TRP 34 Ca 0.61 1.08 0.14 0.00 1.22 0.00 0.00 56.10 59.15 2kku s TRP 34 Cb -0.11 -3.19 0.78 0.00 -1.50 0.00 0.00 33.47 29.45 2kku s TRP 34 CO 0.26 -3.35 1.30 1.17 -4.62 0.00 0.00 176.95 171.70 2kku n LYS 35 N -4.52 0.35 0.11 5.86 4.81 -1.26 -3.27 118.16 120.23 2kku n LYS 35 Ca 0.04 0.06 0.13 0.00 -0.87 0.00 0.00 58.31 57.67 2kku n LYS 35 Cb 0.56 -1.50 0.63 0.00 0.02 0.00 0.00 35.03 34.74 2kku n LYS 35 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2kku h GLU 36 N 0.00 0.08 -6.23 1.64 4.39 -2.03 -3.42 114.58 109.01 2kku h GLU 36 Ca 0.00 -0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.14 2kku h GLU 36 Cb 0.05 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2kku h GLU 36 CO 0.00 0.05 1.28 -1.17 -1.16 0.00 0.00 179.01 178.01 2kku s LEU 37 N -9.01 4.05 0.03 1.33 1.98 -1.20 -4.99 118.68 110.86 2kku s LEU 37 Ca -0.06 2.24 -0.07 0.00 -2.89 0.00 0.00 54.13 53.36 2kku s LEU 37 Cb 0.18 -3.52 -0.00 0.00 0.66 0.00 0.00 46.19 43.51 2kku s LEU 37 CO 0.70 -1.34 0.14 -1.59 -1.89 0.00 0.00 176.35 172.37 2kku s LYS 38 N 5.02 0.58 -0.43 1.98 0.00 -1.26 -5.11 119.74 120.51 2kku s LYS 38 Ca 0.88 -0.59 -0.28 0.00 0.00 0.00 0.00 55.97 55.98 2kku s LYS 38 Cb -0.36 0.23 -0.02 0.00 0.00 0.00 0.00 37.83 37.68 2kku s LYS 38 CO 0.37 -0.15 1.86 -1.25 0.00 0.00 0.00 175.35 176.18 2kku s PRO 39 N -2.14 3.02 0.00 1.78 0.04 -1.26 -2.84 135.00 133.60 2kku s PRO 39 Ca -0.09 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.12 2kku s PRO 39 Cb -0.04 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.22 2kku s PRO 39 CO -0.02 -2.24 0.00 0.41 0.04 0.00 0.00 177.00 175.19 2kku n GLY 40 N 5.55 0.22 3.96 0.56 0.00 -0.74 -4.92 105.19 109.82 2kku n GLY 40 Ca 0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.97 2kku n GLY 40 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2kku s MET 41 N 0.00 0.82 0.33 1.61 -1.94 -1.13 -4.90 119.30 114.08 2kku s MET 41 Ca 0.00 -0.77 0.08 0.00 -1.71 0.00 0.00 55.69 53.29 2kku s MET 41 Cb 0.00 -2.01 -0.04 0.00 2.01 0.00 0.00 34.83 34.79 2kku s MET 41 CO 0.00 -2.19 0.17 -1.59 -0.01 0.00 0.00 175.02 171.39 2kku s LYS 42 N -5.67 2.47 -0.35 2.03 -2.85 -0.75 -0.66 119.74 113.97 2kku s LYS 42 Ca 0.73 -1.46 -0.01 0.00 -1.00 0.00 0.00 55.97 54.24 2kku s LYS 42 Cb -0.03 -2.26 0.12 0.00 -2.06 0.00 0.00 37.83 33.60 2kku s LYS 42 CO 0.51 0.14 0.17 0.12 0.10 0.00 0.00 175.35 176.38 2kku s PHE 43 N -2.38 1.19 -0.23 1.78 2.19 -0.30 -1.62 117.98 118.61 2kku s PHE 43 Ca 0.38 -1.67 -0.26 0.00 0.33 0.00 0.00 56.93 55.70 2kku s PHE 43 Cb -0.04 -1.35 -0.00 0.00 -1.31 0.00 0.00 43.02 40.32 2kku s PHE 43 CO 0.23 -0.83 0.91 0.08 1.83 0.00 0.00 175.22 177.44 2kku s VAL 44 N 1.28 4.79 -0.77 3.12 1.01 -0.62 -0.31 120.40 128.90 2kku s VAL 44 Ca 0.14 1.74 -0.24 0.00 0.00 0.00 0.00 61.98 63.62 2kku s VAL 44 Cb -0.20 -4.19 0.06 0.00 0.00 0.00 0.00 36.38 32.04 2kku s VAL 44 CO -0.14 -0.10 1.18 -0.36 0.00 0.00 0.00 175.10 175.68 2kku s PHE 45 N 2.88 2.53 0.95 5.22 0.08 0.06 -2.34 117.98 127.36 2kku s PHE 45 Ca 0.39 -0.46 -0.12 0.00 0.12 0.00 0.00 56.93 56.85 2kku s PHE 45 Cb -0.15 -4.49 0.16 0.00 -0.57 0.00 0.00 43.02 37.97 2kku s PHE 45 CO 0.08 -1.85 1.10 -0.47 -0.10 0.00 0.00 175.22 173.97 2kku s TYR 46 N 4.76 2.27 0.04 0.36 5.04 0.19 -2.28 117.35 127.73 2kku s TYR 46 Ca 0.32 1.00 -0.27 0.00 -2.44 0.00 0.00 57.07 55.68 2kku s TYR 46 Cb -0.10 -3.27 0.08 0.00 0.35 0.00 0.00 41.96 39.02 2kku s TYR 46 CO 0.07 -2.64 0.68 -1.14 -1.34 0.00 0.00 175.55 171.18 2kku s GLN 47 N -5.05 1.11 0.85 4.97 0.74 0.11 -4.05 119.66 118.33 2kku s GLN 47 Ca 0.64 -0.12 0.00 0.00 0.05 0.00 0.00 55.36 55.93 2kku s GLN 47 Cb -0.17 0.52 0.00 0.00 1.10 0.00 0.00 33.01 34.45 2kku s GLN 47 CO 0.56 -0.43 0.00 0.43 -0.55 0.00 0.00 175.29 175.31 2kku n SER 48 N 0.23 -4.91 -0.07 6.67 7.64 -1.26 -4.33 113.62 117.58 2kku n SER 48 Ca -0.17 0.58 0.05 0.00 1.01 0.00 0.00 58.87 60.34 2kku n SER 48 Cb 0.61 -1.63 0.07 0.00 -1.01 0.00 0.00 64.21 62.25 2kku n SER 48 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2kku n HIS 49 N -2.34 0.00 -2.39 1.43 8.25 -1.26 -5.02 115.22 113.89 2kku n HIS 49 Ca 0.00 -0.67 -0.26 0.00 -0.26 0.00 0.00 57.72 56.54 2kku n HIS 49 Cb 0.25 -0.09 0.04 0.00 1.12 0.00 0.00 29.99 31.30 2kku n HIS 49 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2kku s GLU 50 N -1.75 2.74 0.23 -0.41 2.12 -1.26 -5.00 118.70 115.36 2kku s GLU 50 Ca 0.15 -0.13 -0.11 0.00 0.36 0.00 0.00 54.97 55.25 2kku s GLU 50 Cb 0.13 -2.27 0.31 0.00 0.26 0.00 0.00 34.13 32.56 2kku s GLU 50 CO 0.01 -0.81 1.37 -3.47 -0.54 0.00 0.00 175.26 171.83 2kku n ASP 51 N -2.63 -0.44 -4.59 -1.70 2.03 -1.26 -4.34 116.55 103.63 2kku n ASP 51 Ca 0.05 1.52 -0.32 0.00 0.52 0.00 0.00 54.79 56.57 2kku n ASP 51 Cb 0.58 -0.41 -0.10 0.00 -0.72 0.00 0.00 41.12 40.47 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 -5.98 3.58 -0.31 5.18 2.01 -1.26 -4.71 115.64 114.16 2kku s THR 52 Ca -0.13 -0.85 0.07 0.00 0.31 0.00 0.00 61.69 61.09 2kku s THR 52 Cb 0.21 -2.57 0.27 0.00 0.01 0.00 0.00 72.50 70.42 2kku s THR 52 CO 0.66 0.35 1.23 0.61 -0.69 0.00 0.00 174.62 176.78 2kku n GLY 53 N 1.44 0.76 3.27 4.40 0.00 -1.26 -4.89 105.19 108.91 2kku n GLY 53 Ca -0.15 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 2kku n GLY 53 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kku s PHE 54 N 0.11 3.34 -0.06 1.61 0.40 -1.25 0.04 117.98 122.18 2kku s PHE 54 Ca 0.11 -1.51 0.13 0.00 -0.60 0.00 0.00 56.93 55.06 2kku s PHE 54 Cb 0.28 -3.09 -0.20 0.00 0.51 0.00 0.00 43.02 40.52 2kku s PHE 54 CO -0.07 -0.87 0.74 -0.24 0.70 0.00 0.00 175.22 175.48 2kku h VAL 55 N 6.04 0.80 0.00 -0.44 3.04 -1.63 -3.43 116.25 120.63 2kku h VAL 55 Ca -0.23 -2.56 0.00 0.00 -1.01 0.00 0.00 66.70 62.90 2kku h VAL 55 Cb 1.08 2.34 0.00 0.00 -2.01 0.00 0.00 31.29 32.71 2kku h VAL 55 CO 0.79 0.45 0.00 0.61 -1.01 0.00 0.00 177.57 178.42 2kku n GLY 56 N 1.50 -0.84 3.57 3.17 0.00 -1.05 -0.92 105.19 110.63 2kku n GLY 56 Ca -0.14 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.44 2.02 0.08 1.61 -1.05 -0.59 -0.76 118.70 119.58 2kku s GLU 57 Ca 0.00 -1.69 -0.04 0.00 -0.15 0.00 0.00 54.97 53.09 2kku s GLU 57 Cb 0.00 0.49 0.01 0.00 -0.44 0.00 0.00 34.13 34.20 2kku s GLU 57 CO 0.00 -0.87 0.19 0.00 0.95 0.00 0.00 175.26 175.53 2kku n ALA 58 N -0.57 -0.45 -3.88 -0.84 0.00 0.57 -0.10 120.51 115.25 2kku n ALA 58 Ca -0.01 -0.28 -0.27 0.00 0.00 0.00 0.00 53.44 52.87 2kku n ALA 58 Cb 0.61 0.21 -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 1.66 0.19 0.00 1.81 -0.17 -1.15 118.95 119.27 2kku s ARG 59 Ca 0.04 -0.31 -0.30 0.00 -1.72 0.00 0.00 55.73 53.43 2kku s ARG 59 Cb -0.01 -1.65 -0.08 0.00 -0.45 0.00 0.00 34.95 32.75 2kku s ARG 59 CO 0.02 -0.24 1.27 0.42 -0.68 0.00 0.00 175.30 176.10 2kku s ILE 60 N 1.58 3.35 0.40 1.52 1.01 0.16 -1.62 121.20 127.60 2kku s ILE 60 Ca 0.03 1.10 0.04 0.00 0.00 0.00 0.00 60.65 61.83 2kku s ILE 60 Cb -0.13 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 2kku s ILE 60 CO -0.08 0.16 0.16 -0.54 0.00 0.00 0.00 174.94 174.64 2kku s LYS 61 N -0.08 1.91 -0.23 2.79 -0.14 0.94 -1.79 119.74 123.13 2kku s LYS 61 Ca 0.56 -2.16 -0.20 0.00 -1.36 0.00 0.00 55.97 52.81 2kku s LYS 61 Cb -0.35 -0.44 -0.09 0.00 -1.68 0.00 0.00 37.83 35.27 2kku s LYS 61 CO 0.37 -0.52 0.97 2.89 -0.76 0.00 0.00 175.35 178.30 2kku n ARG 62 N -0.87 0.00 -3.25 1.68 1.85 -1.26 -2.77 116.66 112.03 2kku n ARG 62 Ca -0.04 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.41 2kku n ARG 62 Cb 0.64 -0.69 -0.08 0.00 -1.05 0.00 0.00 32.46 31.29 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 2.68 5.06 -0.27 8.89 -7.23 -1.26 -3.59 120.40 124.68 2kku s VAL 63 Ca 0.55 0.68 -0.19 0.00 -1.81 0.00 0.00 61.98 61.20 2kku s VAL 63 Cb -0.69 -3.86 -0.02 0.00 0.56 0.00 0.00 36.38 32.38 2kku s VAL 63 CO 0.30 -0.00 0.58 -0.69 -0.31 0.00 0.00 175.10 174.98 2kku s VAL 64 N 2.32 5.01 -0.26 1.32 1.01 -0.38 -4.89 120.40 124.53 2kku s VAL 64 Ca 0.20 0.95 -0.10 0.00 0.00 0.00 0.00 61.98 63.03 2kku s VAL 64 Cb -0.16 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 2kku s VAL 64 CO 0.11 0.01 0.15 -0.76 0.00 0.00 0.00 175.10 174.60 2kku s LEU 65 N 2.45 3.84 -0.18 3.92 1.43 -1.26 -0.73 118.68 128.15 2kku s LEU 65 Ca 0.24 -0.06 -0.13 0.00 -1.03 0.00 0.00 54.13 53.15 2kku s LEU 65 Cb -0.15 -2.05 0.05 0.00 0.03 0.00 0.00 46.19 44.07 2kku s LEU 65 CO 0.10 -0.03 0.45 -0.55 0.23 0.00 0.00 176.35 176.55 2kku s SER 66 N 1.61 -0.52 0.56 2.29 0.15 -0.59 -5.03 113.70 112.16 2kku s SER 66 Ca 0.07 0.95 0.31 0.00 0.70 0.00 0.00 55.95 57.98 2kku s SER 66 Cb -0.15 0.89 1.67 0.00 -1.71 0.00 0.00 66.02 66.72 2kku s SER 66 CO 0.08 -0.18 2.14 -0.33 1.20 0.00 0.00 173.24 176.15 2kku h GLU 67 N 6.25 0.00 -4.93 5.44 5.08 -1.78 -1.04 114.58 123.60 2kku h GLU 67 Ca -0.31 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.40 2kku h GLU 67 Cb 1.18 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.24 2kku h GLU 67 CO 0.25 0.07 -0.57 -0.80 -1.00 0.00 0.00 179.01 176.96 2kku s ASN 68 N -5.94 5.61 0.60 1.42 0.01 -1.26 -4.35 114.94 111.03 2kku s ASN 68 Ca -0.03 -0.10 0.39 0.00 -0.71 0.00 0.00 52.86 52.41 2kku s ASN 68 Cb 0.13 -2.03 1.91 0.00 0.41 0.00 0.00 41.25 41.67 2kku s ASN 68 CO 0.54 -0.04 2.17 1.55 -1.51 0.00 0.00 177.10 179.82 2kku h PRO 69 N 8.28 0.00 0.00 -0.60 0.13 -1.93 -2.89 132.00 134.99 2kku h PRO 69 Ca -0.37 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.71 2kku h PRO 69 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2kku h PRO 69 CO 0.57 0.00 -0.26 0.52 -0.23 0.00 0.00 178.00 178.60 2kku h MET 70 N 0.00 0.00 0.00 0.86 2.86 -1.95 -2.57 114.93 114.13 2kku h MET 70 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2kku h MET 70 Cb 0.23 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 2kku h MET 70 CO 0.00 0.26 -0.19 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 -1.92 -2.24 115.11 116.88 2kku h GLN 71 Ca -0.00 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 2kku h GLN 71 Cb 0.86 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 2kku h GLN 71 CO 0.03 0.19 -0.33 0.74 -0.67 0.00 0.00 178.83 178.80 2kku h PHE 72 N 0.00 0.00 0.00 2.96 0.04 -1.63 -2.38 116.94 115.93 2kku h PHE 72 Ca -0.00 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.56 2kku h PHE 72 Cb 0.70 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.82 2kku h PHE 72 CO 0.00 0.33 -1.39 0.74 -0.60 0.00 0.00 178.31 177.39 2kku h PHE 73 N 0.00 0.00 0.00 -0.55 0.04 -1.51 -0.65 116.94 114.27 2kku h PHE 73 Ca -0.00 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.60 2kku h PHE 73 Cb 1.07 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.19 2kku h PHE 73 CO 0.00 0.75 -0.94 1.05 -0.60 0.00 0.00 178.31 178.57 2kku h GLU 74 N 0.00 0.00 0.00 1.51 4.11 -1.47 -2.94 114.58 115.79 2kku h GLU 74 Ca -0.18 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.15 2kku h GLU 74 Cb 1.73 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.96 2kku h GLU 74 CO 0.07 0.65 -0.60 1.15 0.07 0.00 0.00 179.01 180.35 2kku h THR 75 N 0.00 1.27 0.00 -1.06 2.02 -1.54 -3.46 112.91 110.14 2kku h THR 75 Ca -0.06 -2.18 0.00 0.00 0.77 0.00 0.00 66.41 64.94 2kku h THR 75 Cb 1.62 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 70.66 2kku h THR 75 CO 0.09 0.43 -0.04 0.49 0.37 0.00 0.00 175.52 176.86 2kku n PHE 76 N -4.53 0.00 0.00 3.16 3.72 -0.34 -5.00 117.46 114.46 2kku n PHE 76 Ca -0.20 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.20 2kku n PHE 76 Cb 0.55 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 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 2.24 0.86 0.32 1.37 0.00 -0.67 -3.53 105.19 105.77 2kku n GLY 77 Ca -0.01 0.59 0.10 0.00 0.00 0.00 0.00 46.02 46.71 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 0.20 0.20 1.61 3.58 -1.91 -2.09 116.42 118.02 2kku h ASP 78 Ca 0.00 -0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.25 2kku h ASP 78 Cb 0.00 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.01 2kku h ASP 78 CO 0.00 0.13 -0.79 0.03 -2.88 0.00 0.00 179.24 175.74 2kku h ARG 79 N 0.23 0.48 -7.06 0.28 2.47 -1.90 -3.46 114.38 105.42 2kku h ARG 79 Ca 0.15 -0.42 -0.51 0.00 -1.26 0.00 0.00 59.98 57.95 2kku h ARG 79 Cb 0.30 0.10 0.07 0.00 -1.65 0.00 0.00 29.97 28.79 2kku h ARG 79 CO -0.03 1.06 0.45 0.08 0.56 0.00 0.00 179.97 182.09 2kku s VAL 80 N -3.56 3.10 0.37 2.04 1.01 -0.79 -1.52 120.40 121.05 2kku s VAL 80 Ca -0.07 0.73 0.06 0.00 0.00 0.00 0.00 61.98 62.70 2kku s VAL 80 Cb 0.10 -3.32 0.20 0.00 0.00 0.00 0.00 36.38 33.35 2kku s VAL 80 CO 0.86 -0.10 1.94 2.19 0.00 0.00 0.00 175.10 179.99 2kku h PHE 81 N 1.45 0.51 -1.54 5.22 -0.00 -1.81 -3.44 116.94 117.33 2kku h PHE 81 Ca -0.50 -0.03 -0.60 0.00 -0.00 0.00 0.00 57.97 56.84 2kku h PHE 81 Cb 1.26 -0.16 -0.11 0.00 -0.00 0.00 0.00 35.95 36.94 2kku h PHE 81 CO 0.51 0.45 -0.54 -0.48 -0.00 0.00 0.00 178.31 178.25 2kku s LEU 82 N -9.19 2.95 0.51 2.10 2.34 -1.26 -4.84 118.68 111.28 2kku s LEU 82 Ca -0.08 -1.26 0.07 0.00 0.06 0.00 0.00 54.13 52.93 2kku s LEU 82 Cb 0.16 -1.13 0.03 0.00 -0.56 0.00 0.00 46.19 44.70 2kku s LEU 82 CO 0.75 -0.53 0.50 0.28 -1.06 0.00 0.00 176.35 176.29 2kku s THR 83 N -2.67 2.11 0.45 5.48 -1.32 -1.26 -4.90 115.64 113.52 2kku s THR 83 Ca 0.36 -1.31 0.12 0.00 -1.21 0.00 0.00 61.69 59.65 2kku s THR 83 Cb 0.07 -2.42 0.24 0.00 -1.51 0.00 0.00 72.50 68.88 2kku s THR 83 CO 0.19 0.00 2.07 0.50 -2.21 0.00 0.00 174.62 175.17 2kku h LYS 84 N 0.68 0.23 -0.45 7.08 3.64 -1.95 -1.69 116.57 124.11 2kku h LYS 84 Ca -0.36 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 58.93 2kku h LYS 84 Cb 1.29 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 2kku h LYS 84 CO 0.53 0.20 0.03 -0.44 -2.27 0.00 0.00 179.45 177.50 2kku h ASP 85 N 0.23 0.75 -0.06 4.20 3.32 -2.00 -1.71 116.42 121.16 2kku h ASP 85 Ca 0.06 -0.29 -0.08 0.00 0.02 0.00 0.00 57.03 56.75 2kku h ASP 85 Cb 0.06 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 2kku h ASP 85 CO -0.01 0.85 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.86 2kku h GLU 86 N 0.63 0.42 0.37 3.56 4.39 -1.79 -2.36 114.58 119.81 2kku h GLU 86 Ca 0.13 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2kku h GLU 86 Cb 0.45 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 2kku h GLU 86 CO 0.02 0.59 -0.18 1.25 -1.16 0.00 0.00 179.01 179.53 2kku h LEU 87 N 0.39 -0.42 -0.79 1.33 5.85 -1.14 -2.56 115.31 117.97 2kku h LEU 87 Ca 0.07 -0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.60 2kku h LEU 87 Cb 0.53 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 2kku h LEU 87 CO 0.03 -0.15 -0.18 0.07 -0.34 0.00 0.00 178.44 177.87 2kku h LYS 88 N -0.70 0.72 -0.60 1.25 5.09 -1.23 -1.11 116.57 120.00 2kku h LYS 88 Ca -0.05 -0.27 -0.10 0.00 0.09 0.00 0.00 60.65 60.33 2kku h LYS 88 Cb 0.49 -0.05 -0.02 0.00 0.10 0.00 0.00 32.23 32.75 2kku h LYS 88 CO 0.08 0.86 -0.00 1.05 -2.09 0.00 0.00 179.45 179.35 2kku h GLU 89 N 0.64 1.06 -0.87 0.07 4.11 -1.54 -2.42 114.58 115.64 2kku h GLU 89 Ca 0.10 -0.34 -0.02 0.00 0.07 0.00 0.00 59.36 59.17 2kku h GLU 89 Cb 0.66 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 2kku h GLU 89 CO 0.05 1.04 0.46 -0.92 0.07 0.00 0.00 179.01 179.71 2kku h TYR 90 N 0.96 1.22 -0.09 2.06 3.20 -0.96 0.10 116.97 123.46 2kku h TYR 90 Ca 0.17 -0.04 -0.18 0.00 3.14 0.00 0.00 58.73 61.82 2kku h TYR 90 Cb 0.57 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 2kku h TYR 90 CO 0.04 0.86 -0.70 0.52 -1.64 0.00 0.00 178.16 177.23 2kku h MET 91 N 1.23 0.41 0.00 1.82 2.86 -1.19 -2.72 114.93 117.34 2kku h MET 91 Ca 0.30 -0.33 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 2kku h MET 91 Cb 0.06 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 2kku h MET 91 CO -0.05 0.96 -0.29 0.87 1.06 0.00 0.00 176.91 179.47 2kku h LYS 92 N 0.29 0.00 0.00 1.72 1.79 -1.03 -2.83 116.57 116.51 2kku h LYS 92 Ca -0.03 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.38 2kku h LYS 92 Cb 1.27 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.91 2kku h LYS 92 CO 0.12 0.29 -0.30 0.77 -1.08 0.00 0.00 179.45 179.25 2kku h SER 93 N 0.00 0.00 1.01 0.86 0.02 -0.50 -2.77 113.55 112.17 2kku h SER 93 Ca -0.00 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 2kku h SER 93 Cb 0.72 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 2kku h SER 93 CO 0.04 0.30 -0.81 1.56 -1.14 0.00 0.00 176.83 176.78 2kku h GLN 94 N 0.00 0.00 0.03 3.45 1.08 -1.28 -1.97 115.11 116.42 2kku h GLN 94 Ca -0.00 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 56.92 2kku h GLN 94 Cb 0.84 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.23 2kku h GLN 94 CO 0.04 0.81 -1.51 1.05 -0.95 0.00 0.00 178.83 178.28 2kku h GLU 95 N 0.00 0.06 0.00 1.46 4.11 -1.58 -2.46 114.58 116.17 2kku h GLU 95 Ca -0.01 -0.10 -0.02 0.00 0.07 0.00 0.00 59.36 59.30 2kku h GLU 95 Cb 1.54 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.83 2kku h GLU 95 CO 0.11 0.78 -0.61 0.07 0.07 0.00 0.00 179.01 179.43 2kku h ARG 96 N 0.02 0.00 0.00 1.06 0.11 -1.56 -3.35 114.38 110.66 2kku h ARG 96 Ca -0.21 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.83 2kku h ARG 96 Cb 1.95 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 32.96 2kku h ARG 96 CO 0.11 0.05 -0.56 0.91 0.10 0.00 0.00 179.97 180.58 2kku n TRP 97 N -2.89 0.00 -3.51 4.08 7.02 -0.74 -5.07 117.44 116.33 2kku n TRP 97 Ca 0.01 -1.23 -0.01 0.00 -1.02 0.00 0.00 57.50 55.25 2kku n TRP 97 Cb 0.57 -0.22 0.01 0.00 -2.42 0.00 0.00 31.31 29.25 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 -0.82 1.19 1.68 6.99 0.00 -0.93 -4.93 105.19 108.37 2kku n GLY 98 Ca 0.16 -1.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.11 2kku n GLY 98 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kku n ARG 99 N -0.19 2.70 0.00 1.61 -4.01 -1.26 -4.60 116.66 110.90 2kku n ARG 99 Ca -0.01 -2.13 0.00 0.00 -1.04 0.00 0.00 57.85 54.67 2kku n ARG 99 Cb 0.16 -1.91 0.00 0.00 -3.04 0.00 0.00 32.46 27.67 2kku n ARG 99 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 2kku n ARG 100 N -0.16 0.00 0.00 2.89 3.00 -1.23 -4.41 116.66 116.75 2kku n ARG 100 Ca 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 58.15 2kku n ARG 100 Cb 1.13 -2.35 0.00 0.00 0.00 0.00 0.00 32.46 31.24 2kku n ARG 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2kku n ARG 101 N -1.77 0.00 -2.65 5.56 1.74 -1.26 -4.73 116.66 113.55 2kku n ARG 101 Ca 0.00 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.02 2kku n ARG 101 Cb 0.00 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.45 2kku n ARG 101 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2kku n GLU 102 N 0.00 -1.91 -2.97 5.56 1.02 -1.26 -4.98 120.64 116.10 2kku n GLU 102 Ca 0.00 1.81 -0.42 0.00 -0.02 0.00 0.00 57.16 58.53 2kku n GLU 102 Cb 0.00 -5.02 -0.05 0.00 -0.02 0.00 0.00 31.44 26.35 2kku n GLU 102 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2kku s SER 103 N -2.40 6.58 0.30 1.62 0.15 -1.26 -4.96 113.70 113.73 2kku s SER 103 Ca 0.19 0.47 0.01 0.00 0.70 0.00 0.00 55.95 57.32 2kku s SER 103 Cb -0.05 -2.39 0.46 0.00 -1.71 0.00 0.00 66.02 62.33 2kku s SER 103 CO 0.64 -0.66 1.82 0.50 1.20 0.00 0.00 173.24 176.74 2kku h LYS 104 N 8.32 0.66 -6.20 5.44 1.63 -2.03 -3.42 116.57 120.98 2kku h LYS 104 Ca -0.25 -0.16 -0.50 0.00 -0.85 0.00 0.00 60.65 58.90 2kku h LYS 104 Cb 1.10 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 32.60 2kku h LYS 104 CO 0.89 0.68 -0.50 0.21 -3.45 0.00 0.00 179.45 177.28 2kku s LYS 105 N -4.98 3.00 0.76 1.90 2.47 -1.26 -5.13 119.74 116.51 2kku s LYS 105 Ca -0.09 -1.02 -0.12 0.00 -1.56 0.00 0.00 55.97 53.19 2kku s LYS 105 Cb 0.15 -2.62 0.05 0.00 -1.46 0.00 0.00 37.83 33.96 2kku s LYS 105 CO 0.79 0.38 1.11 -1.59 0.16 0.00 0.00 175.35 176.20 2kku s LYS 106 N -3.88 2.23 -0.12 4.03 0.00 -1.26 -5.05 119.74 115.69 2kku s LYS 106 Ca 0.34 1.28 -0.05 0.00 0.00 0.00 0.00 55.97 57.54 2kku s LYS 106 Cb -0.08 -1.89 -0.04 0.00 0.00 0.00 0.00 37.83 35.83 2kku s LYS 106 CO 0.26 -1.68 0.08 0.21 0.00 0.00 0.00 175.35 174.22 2kku s LYS 107 N -4.67 3.35 -0.58 1.78 2.36 -1.26 -5.06 119.74 115.66 2kku s LYS 107 Ca 0.64 -0.25 -0.28 0.00 -2.55 0.00 0.00 55.97 53.53 2kku s LYS 107 Cb -0.19 -3.06 0.02 0.00 -1.05 0.00 0.00 37.83 33.55 2kku s LYS 107 CO 0.53 0.69 1.37 -1.17 1.55 0.00 0.00 175.35 178.32 2kku s LEU 108 N -0.81 3.38 0.58 5.43 1.98 -1.26 -4.37 118.68 123.62 2kku s LEU 108 Ca 0.13 0.18 -0.09 0.00 -2.89 0.00 0.00 54.13 51.47 2kku s LEU 108 Cb -0.12 -3.01 -0.03 0.00 0.66 0.00 0.00 46.19 43.69 2kku s LEU 108 CO 0.03 -1.70 0.95 0.26 -1.89 0.00 0.00 176.35 174.00 2kku s TRP 109 N 5.90 3.53 0.00 5.38 0.52 -0.39 -3.64 118.94 130.24 2kku s TRP 109 Ca 0.49 1.04 0.01 0.00 0.02 0.00 0.00 56.10 57.67 2kku s TRP 109 Cb -0.10 -2.64 -0.01 0.00 -1.15 0.00 0.00 33.47 29.58 2kku s TRP 109 CO 0.24 -0.64 -0.05 0.00 0.02 0.00 0.00 176.95 176.52 2kku s MET 110 N -5.05 0.37 -0.31 4.98 0.23 -0.04 -1.54 119.30 117.95 2kku s MET 110 Ca 0.53 -0.27 0.04 0.00 -1.03 0.00 0.00 55.69 54.96 2kku s MET 110 Cb -0.11 -0.31 0.08 0.00 -1.53 0.00 0.00 34.83 32.96 2kku s MET 110 CO 0.50 0.08 -0.01 0.00 -2.03 0.00 0.00 175.02 173.56 2kku s ALA 111 N -0.35 2.75 -0.18 3.16 0.00 0.09 -1.34 121.76 125.89 2kku s ALA 111 Ca -0.01 -2.22 -0.28 0.00 0.00 0.00 0.00 51.96 49.45 2kku s ALA 111 Cb -0.03 -1.81 -0.00 0.00 0.00 0.00 0.00 23.12 21.27 2kku s ALA 111 CO -0.00 -1.50 0.96 0.42 0.00 0.00 0.00 175.76 175.65 2kku s ILE 112 N 0.99 4.77 0.11 0.00 1.01 -0.33 -1.24 121.20 126.51 2kku s ILE 112 Ca 0.03 1.90 -0.27 0.00 0.00 0.00 0.00 60.65 62.32 2kku s ILE 112 Cb -0.19 -4.25 -0.07 0.00 0.01 0.00 0.00 42.46 37.96 2kku s ILE 112 CO -0.07 -0.07 0.83 -0.70 0.00 0.00 0.00 174.94 174.93 2kku s GLU 113 N 2.57 4.60 -0.07 2.79 -6.30 -1.12 -0.94 118.70 120.25 2kku s GLU 113 Ca 0.43 1.23 0.04 0.00 -2.50 0.00 0.00 54.97 54.17 2kku s GLU 113 Cb -0.16 -3.33 -0.00 0.00 0.00 0.00 0.00 34.13 30.64 2kku s GLU 113 CO 0.11 0.37 -0.20 -0.51 0.02 0.00 0.00 175.26 175.05 2kku s LEU 114 N -0.46 1.95 0.32 2.70 2.01 0.44 -0.04 118.68 125.60 2kku s LEU 114 Ca 0.40 -0.44 0.03 0.00 0.01 0.00 0.00 54.13 54.13 2kku s LEU 114 Cb -0.22 -1.17 -0.05 0.00 0.01 0.00 0.00 46.19 44.76 2kku s LEU 114 CO 0.26 0.15 0.10 -1.83 1.01 0.00 0.00 176.35 176.05 2kku s GLU 115 N 0.20 1.63 -1.39 1.70 -1.05 -0.64 -2.40 118.70 116.74 2kku s GLU 115 Ca -0.10 -1.93 -0.00 0.00 -0.15 0.00 0.00 54.97 52.79 2kku s GLU 115 Cb -0.15 -0.48 -0.00 0.00 -0.44 0.00 0.00 34.13 33.06 2kku s GLU 115 CO 0.05 -0.33 0.45 -3.47 0.95 0.00 0.00 175.26 172.91 2kku n ASP 116 N -0.80 -0.40 -4.56 0.83 2.03 -1.25 -1.00 116.55 111.39 2kku n ASP 116 Ca -0.02 -0.98 -0.40 0.00 0.52 0.00 0.00 54.79 53.91 2kku n ASP 116 Cb 0.66 -3.19 -0.03 0.00 -0.72 0.00 0.00 41.12 37.84 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 -3.92 3.57 0.42 5.18 1.01 -1.23 -4.31 120.40 121.12 2kku s VAL 117 Ca 0.00 0.39 -0.22 0.00 0.00 0.00 0.00 61.98 62.15 2kku s VAL 117 Cb -0.00 -4.34 -0.10 0.00 0.00 0.00 0.00 36.38 31.94 2kku s VAL 117 CO 0.88 -1.24 0.99 -0.75 0.00 0.00 0.00 175.10 174.98 2kku s LYS 118 N 6.23 4.16 -0.31 2.72 2.47 0.86 -4.92 119.74 130.96 2kku s LYS 118 Ca 0.54 1.28 -0.05 0.00 -1.56 0.00 0.00 55.97 56.19 2kku s LYS 118 Cb -0.11 -2.32 0.03 0.00 -1.46 0.00 0.00 37.83 33.97 2kku s LYS 118 CO 0.20 -0.10 0.05 0.15 0.16 0.00 0.00 175.35 175.81 2kku s LYS 119 N -2.90 2.72 -1.07 4.03 -0.14 -1.26 -1.54 119.74 119.59 2kku s LYS 119 Ca 0.61 -1.10 -0.20 0.00 -1.36 0.00 0.00 55.97 53.92 2kku s LYS 119 Cb -0.15 -3.31 0.09 0.00 -1.68 0.00 0.00 37.83 32.79 2kku s LYS 119 CO 0.19 -0.56 1.41 0.71 -0.76 0.00 0.00 175.35 176.33 2kku s TYR 120 N 1.38 2.86 -0.70 3.18 1.51 -0.09 -4.72 117.35 120.76 2kku s TYR 120 Ca -0.01 -1.29 0.26 0.00 -1.01 0.00 0.00 57.07 55.01 2kku s TYR 120 Cb -0.19 -4.54 0.71 0.00 -0.11 0.00 0.00 41.96 37.83 2kku s TYR 120 CO 0.01 -1.72 1.69 -0.44 -1.11 0.00 0.00 175.55 173.98 2kku h ASP 121 N 8.81 0.00 -3.65 2.29 5.19 -1.83 -3.38 116.42 123.85 2kku h ASP 121 Ca 0.25 -0.04 -0.51 0.00 -0.62 0.00 0.00 57.03 56.11 2kku h ASP 121 Cb 0.97 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.46 2kku h ASP 121 CO 1.32 0.02 0.34 -1.59 -3.12 0.00 0.00 179.24 176.20 2kku s LYS 122 N -3.12 4.76 -1.30 3.56 -2.85 -1.26 -4.99 119.74 114.54 2kku s LYS 122 Ca 0.10 1.44 -0.18 0.00 -1.00 0.00 0.00 55.97 56.32 2kku s LYS 122 Cb 0.12 -3.32 0.06 0.00 -2.06 0.00 0.00 37.83 32.63 2kku s LYS 122 CO 0.62 0.39 1.77 -0.35 0.10 0.00 0.00 175.35 177.89 2kku n PRO 123 N 2.07 3.06 -3.76 1.78 -0.04 -1.26 -4.89 135.00 131.97 2kku n PRO 123 Ca -0.01 -3.19 -0.37 0.00 -0.04 0.00 0.00 63.50 59.90 2kku n PRO 123 Cb 0.48 -3.51 -0.06 0.00 -0.04 0.00 0.00 33.50 30.37 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 4.70 5.39 0.56 0.52 1.01 -1.26 -5.07 121.20 127.05 2kku s ILE 124 Ca 0.55 0.35 -0.18 0.00 0.00 0.00 0.00 60.65 61.36 2kku s ILE 124 Cb 0.04 -3.49 -0.05 0.00 0.01 0.00 0.00 42.46 38.97 2kku s ILE 124 CO 0.08 0.56 1.10 -0.54 0.00 0.00 0.00 174.94 176.14 2kku s LYS 125 N -0.66 3.35 0.62 2.79 3.01 -1.26 -3.96 119.74 123.63 2kku s LYS 125 Ca 0.15 1.48 -0.16 0.00 -1.01 0.00 0.00 55.97 56.44 2kku s LYS 125 Cb -0.13 -2.02 -0.02 0.00 -1.01 0.00 0.00 37.83 34.66 2kku s LYS 125 CO 0.05 -0.83 1.11 -1.25 0.51 0.00 0.00 175.35 174.93 2kku s PRO 126 N -3.49 3.00 0.20 -1.68 0.04 -1.26 -4.97 135.00 126.84 2kku s PRO 126 Ca 0.70 1.41 -0.03 0.00 0.04 0.00 0.00 61.00 63.12 2kku s PRO 126 Cb -0.21 -1.98 0.15 0.00 0.04 0.00 0.00 34.50 32.50 2kku s PRO 126 CO 0.29 -1.09 1.55 -0.22 0.04 0.00 0.00 177.00 177.56 2kku h LYS 127 N 0.35 0.61 -3.61 4.56 3.11 -2.02 -3.47 116.57 116.10 2kku h LYS 127 Ca -0.47 -0.34 -0.05 0.00 -2.81 0.00 0.00 60.65 56.98 2kku h LYS 127 Cb 1.25 0.02 -0.09 0.00 -1.00 0.00 0.00 32.23 32.40 2kku h LYS 127 CO 0.55 0.94 -0.10 -0.98 -2.81 0.00 0.00 179.45 177.05 2kku s ARG 128 N -4.18 1.53 0.18 1.90 1.70 -1.26 -5.15 118.95 113.68 2kku s ARG 128 Ca -0.08 -1.22 -0.31 0.00 -0.47 0.00 0.00 55.73 53.66 2kku s ARG 128 Cb 0.12 0.48 -0.09 0.00 -0.57 0.00 0.00 34.95 34.88 2kku s ARG 128 CO 0.84 -0.64 1.43 -0.48 -1.08 0.00 0.00 175.30 175.37 2kku s LEU 129 N -3.00 4.38 -0.36 -1.89 2.34 -1.26 -5.02 118.68 113.87 2kku s LEU 129 Ca 0.21 2.51 0.03 0.00 0.06 0.00 0.00 54.13 56.94 2kku s LEU 129 Cb -0.01 -3.60 0.10 0.00 -0.56 0.00 0.00 46.19 42.12 2kku s LEU 129 CO 0.08 -0.68 0.08 -0.69 -1.06 0.00 0.00 176.35 174.08 2kku s VAL 130 N 0.56 2.46 0.55 1.48 1.01 -1.26 -4.86 120.40 120.33 2kku s VAL 130 Ca 0.62 -2.34 -0.09 0.00 0.00 0.00 0.00 61.98 60.17 2kku s VAL 130 Cb -0.40 -2.79 0.13 0.00 0.00 0.00 0.00 36.38 33.33 2kku s VAL 130 CO 0.36 -0.62 0.61 -0.81 0.00 0.00 0.00 175.10 174.63 2kku n PRO 131 N 4.26 -1.32 -0.36 2.72 -0.04 -1.26 -4.64 135.00 134.37 2kku n PRO 131 Ca 0.03 -0.95 0.06 0.00 -0.04 0.00 0.00 63.50 62.60 2kku n PRO 131 Cb 0.42 -0.74 0.22 0.00 -0.04 0.00 0.00 33.50 33.36 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 -1.73 0.93 0.00 0.52 3.04 -2.00 -1.01 116.25 116.00 2kku h VAL 132 Ca -0.21 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 65.14 2kku h VAL 132 Cb 0.61 -0.14 0.00 0.00 -2.01 0.00 0.00 31.29 29.74 2kku h VAL 132 CO 0.14 0.18 0.00 0.61 -1.01 0.00 0.00 177.57 177.49 2kku n GLY 133 N -1.35 -1.38 0.08 3.17 0.00 -1.26 -4.84 105.19 99.61 2kku n GLY 133 Ca 0.18 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.20 2kku n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kku n GLY 134 N 0.64 -2.67 3.56 -0.02 0.00 -0.38 -4.96 105.19 101.36 2kku n GLY 134 Ca 0.04 -1.42 -0.30 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 -3.12 2.06 -0.34 1.61 -1.52 -0.71 -4.80 119.66 112.83 2kku s GLN 135 Ca 0.00 -1.06 -0.26 0.00 -1.95 0.00 0.00 55.36 52.09 2kku s GLN 135 Cb 0.00 -2.27 0.01 0.00 -0.22 0.00 0.00 33.01 30.54 2kku s GLN 135 CO 0.00 0.50 0.91 0.71 -0.25 0.00 0.00 175.29 177.16 2kku s TYR 136 N -1.21 3.13 -0.04 0.91 2.02 -1.26 -1.00 117.35 119.89 2kku s TYR 136 Ca 0.21 0.86 -0.30 0.00 -0.37 0.00 0.00 57.07 57.47 2kku s TYR 136 Cb -0.11 -3.53 -0.03 0.00 -0.40 0.00 0.00 41.96 37.89 2kku s TYR 136 CO 0.13 -0.74 1.20 -1.17 -1.57 0.00 0.00 175.55 173.40 2kku s LEU 137 N 3.35 4.29 -0.07 -1.29 0.20 -0.24 -4.91 118.68 120.00 2kku s LEU 137 Ca 0.38 1.83 -0.01 0.00 0.69 0.00 0.00 54.13 57.02 2kku s LEU 137 Cb -0.13 -3.56 0.03 0.00 -0.43 0.00 0.00 46.19 42.10 2kku s LEU 137 CO 0.16 -0.57 -0.03 0.00 -0.29 0.00 0.00 176.35 175.63 2kku s ARG 138 N 2.08 0.85 0.00 1.98 3.03 -1.26 -1.50 118.95 124.14 2kku s ARG 138 Ca 0.56 -0.02 0.00 0.00 2.03 0.00 0.00 55.73 58.30 2kku s ARG 138 Cb -0.25 -1.07 0.00 0.00 -1.03 0.00 0.00 34.95 32.60 2kku s ARG 138 CO 0.23 -0.24 0.10 -1.91 -1.13 0.00 0.00 175.30 172.34