#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 6.12 7.64 -1.26 -1.89 113.62 124.49 2kku n SER 2 Ca 0.00 0.43 0.18 0.00 1.01 0.00 0.00 58.87 60.49 2kku n SER 2 Cb 0.00 -0.43 0.93 0.00 -1.01 0.00 0.00 64.21 63.70 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 -3.49 116.57 114.61 2kku h LYS 3 Ca 0.00 0.00 0.14 0.00 -2.00 0.00 0.00 60.65 58.79 2kku h LYS 3 Cb 0.01 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.30 2kku h LYS 3 CO 0.00 0.00 -0.19 -0.89 -2.00 0.00 0.00 179.45 176.37 2kku n ILE 4 N -2.78 0.00 0.00 0.07 2.08 -0.79 -4.96 119.36 112.97 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 0.10 -0.18 0.00 0.00 -0.75 0.00 0.00 39.64 38.81 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 -2.31 0.00 -2.61 1.39 0.24 -0.57 -2.99 118.33 111.47 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 0.24 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.61 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 0.22 1.80 3.12 7.63 0.00 -0.57 -1.35 105.19 116.04 2kku n GLY 6 Ca 0.00 -0.71 -0.18 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.51 0.94 -0.00 1.61 0.11 -0.93 -1.30 120.40 118.32 2kku s VAL 7 Ca 0.00 -1.08 0.07 0.00 -2.93 0.00 0.00 61.98 58.04 2kku s VAL 7 Cb 0.00 -0.90 -0.02 0.00 -1.53 0.00 0.00 36.38 33.93 2kku s VAL 7 CO 0.00 -0.16 -0.23 0.28 -3.33 0.00 0.00 175.10 171.66 2kku s THR 8 N -1.08 1.79 0.00 5.04 -1.32 -0.01 -1.90 115.64 118.16 2kku s THR 8 Ca -0.02 -1.02 0.01 0.00 -1.21 0.00 0.00 61.69 59.45 2kku s THR 8 Cb -0.09 -1.49 -0.01 0.00 -1.51 0.00 0.00 72.50 69.40 2kku s THR 8 CO 0.01 0.45 -0.03 -0.31 -2.21 0.00 0.00 174.62 172.53 2kku s TYR 9 N -0.58 0.31 0.11 9.09 1.51 -1.09 -1.68 117.35 125.01 2kku s TYR 9 Ca 0.09 -0.11 -0.19 0.00 -1.01 0.00 0.00 57.07 55.85 2kku s TYR 9 Cb -0.09 -0.20 -0.06 0.00 -0.11 0.00 0.00 41.96 41.51 2kku s TYR 9 CO -0.00 -0.02 1.65 -1.35 -1.11 0.00 0.00 175.55 174.71 2kku h PRO 10 N 5.87 0.39 -5.94 -1.71 0.11 -1.82 -0.54 132.00 128.36 2kku h PRO 10 Ca -0.27 -0.07 -0.20 0.00 0.11 0.00 0.00 66.00 65.56 2kku h PRO 10 Cb 1.20 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2kku h PRO 10 CO 0.49 0.43 -0.54 -0.89 -0.21 0.00 0.00 178.00 177.27 2kku n ILE 11 N -4.77 -7.42 -0.43 4.15 5.41 -1.26 -4.02 119.36 111.02 2kku n ILE 11 Ca -0.03 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.68 2kku n ILE 11 Cb 0.13 -5.33 0.01 0.00 -0.71 0.00 0.00 39.64 33.75 2kku n ILE 11 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2kku n PRO 12 N -1.74 1.22 -4.56 0.38 -0.04 -1.26 -4.54 135.00 124.46 2kku n PRO 12 Ca -0.10 -0.45 -0.26 0.00 -0.04 0.00 0.00 63.50 62.65 2kku n PRO 12 Cb 0.58 -1.17 -0.10 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.51 1.87 0.32 0.54 -0.14 -1.26 -5.03 119.74 115.53 2kku s LYS 13 Ca 0.09 -2.09 0.24 0.00 -1.36 0.00 0.00 55.97 52.85 2kku s LYS 13 Cb 0.07 -1.15 1.14 0.00 -1.68 0.00 0.00 37.83 36.21 2kku s LYS 13 CO 0.00 -0.23 1.73 0.07 -0.76 0.00 0.00 175.35 176.17 2kku h ARG 14 N 1.84 0.00 -0.01 1.68 0.11 -2.00 -3.07 114.38 112.92 2kku h ARG 14 Ca -0.41 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.67 2kku h ARG 14 Cb 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.34 2kku h ARG 14 CO 0.71 0.00 0.00 1.19 0.10 0.00 0.00 179.97 181.97 2kku n PHE 15 N -2.33 0.01 -0.21 4.08 3.72 -1.26 -3.86 117.46 117.61 2kku n PHE 15 Ca 0.00 -0.01 0.06 0.00 -0.05 0.00 0.00 57.45 57.46 2kku n PHE 15 Cb 0.14 0.00 0.33 0.00 -0.94 0.00 0.00 39.48 39.02 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 0.53 0.78 0.00 -1.08 -0.00 -1.77 -2.98 114.93 110.41 2kku h MET 16 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 59.70 59.65 2kku h MET 16 Cb 0.11 -0.18 0.00 0.00 -0.00 0.00 0.00 31.60 31.54 2kku h MET 16 CO 0.00 0.52 -0.08 -0.25 -0.00 0.00 0.00 176.91 177.10 2kku n ASP 17 N -4.48 0.69 -0.17 -0.10 8.00 -1.25 -4.08 116.55 115.15 2kku n ASP 17 Ca 0.11 0.50 -0.02 0.00 0.71 0.00 0.00 54.79 56.10 2kku n ASP 17 Cb 0.23 -0.64 0.08 0.00 -0.02 0.00 0.00 41.12 40.77 2kku n ASP 17 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2kku h ARG 18 N 0.00 0.27 0.00 -1.24 2.47 -1.79 0.13 114.38 114.22 2kku h ARG 18 Ca 0.00 -0.02 -0.08 0.00 -1.26 0.00 0.00 59.98 58.62 2kku h ARG 18 Cb 0.70 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.95 2kku h ARG 18 CO 0.00 0.18 -0.38 0.74 0.56 0.00 0.00 179.97 181.07 2kku h PHE 19 N 0.28 0.00 0.00 3.04 -1.00 -1.79 -2.44 116.94 115.03 2kku h PHE 19 Ca 0.27 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.05 2kku h PHE 19 Cb 0.35 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.91 2kku h PHE 19 CO -0.21 0.38 -1.10 1.19 -1.61 0.00 0.00 178.31 176.96 2kku n PHE 20 N -3.93 0.35 -0.03 -0.55 3.72 -0.84 -1.71 117.46 114.46 2kku n PHE 20 Ca -0.02 0.10 -0.13 0.00 -0.05 0.00 0.00 57.45 57.36 2kku n PHE 20 Cb 0.43 -0.52 -0.10 0.00 -0.94 0.00 0.00 39.48 38.36 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 0.09 0.00 -1.08 3.11 -0.27 -3.38 116.57 115.03 2kku h LYS 21 Ca 0.00 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.79 2kku h LYS 21 Cb 0.79 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.03 2kku h LYS 21 CO 0.00 0.60 -1.03 0.36 -2.81 0.00 0.00 179.45 176.56 2kku n LYS 22 N -4.76 1.82 -0.96 1.90 2.85 -1.09 -5.01 118.16 112.91 2kku n LYS 22 Ca -0.08 -0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.13 2kku n LYS 22 Cb 0.30 -1.15 0.00 0.00 -0.65 0.00 0.00 35.03 33.53 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 1.57 0.46 2.98 2.58 0.00 -0.70 -4.90 105.19 107.19 2kku n GLY 23 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.48 0.46 0.43 1.61 -2.85 -1.25 -2.21 119.74 115.46 2kku s LYS 24 Ca 0.00 -0.13 0.00 0.00 -1.00 0.00 0.00 55.97 54.84 2kku s LYS 24 Cb 0.00 0.06 0.00 0.00 -2.06 0.00 0.00 37.83 35.83 2kku s LYS 24 CO 0.00 -0.68 0.02 -3.47 0.10 0.00 0.00 175.35 171.33 2kku n ASP 25 N 4.07 3.13 -3.84 0.03 2.03 -0.72 -4.89 116.55 116.37 2kku n ASP 25 Ca 0.08 -2.85 -0.25 0.00 0.52 0.00 0.00 54.79 52.29 2kku n ASP 25 Cb 0.60 0.28 -0.17 0.00 -0.72 0.00 0.00 41.12 41.11 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 -2.52 0.70 -0.41 5.18 1.01 0.13 -0.45 120.40 124.05 2kku s VAL 26 Ca 0.02 -0.12 -0.18 0.00 0.00 0.00 0.00 61.98 61.70 2kku s VAL 26 Cb -0.00 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.58 2kku s VAL 26 CO 0.01 0.29 0.48 0.12 0.00 0.00 0.00 175.10 176.00 2kku s PHE 27 N 1.84 3.15 0.10 5.22 5.36 -0.76 -1.58 117.98 131.30 2kku s PHE 27 Ca 0.05 -0.23 -0.22 0.00 -0.96 0.00 0.00 56.93 55.57 2kku s PHE 27 Cb -0.13 -2.98 -0.07 0.00 -0.34 0.00 0.00 43.02 39.51 2kku s PHE 27 CO -0.07 -0.70 0.65 0.14 -1.46 0.00 0.00 175.22 173.78 2kku s VAL 28 N 2.30 4.62 -0.06 3.12 -7.23 -1.26 -1.69 120.40 120.20 2kku s VAL 28 Ca 0.15 1.41 0.04 0.00 -1.81 0.00 0.00 61.98 61.76 2kku s VAL 28 Cb -0.16 -3.99 0.00 0.00 0.56 0.00 0.00 36.38 32.79 2kku s VAL 28 CO 0.15 0.53 -0.17 -0.54 -0.31 0.00 0.00 175.10 174.75 2kku s LYS 29 N -1.02 2.04 0.00 4.82 -0.14 -0.31 -4.99 119.74 120.15 2kku s LYS 29 Ca 0.32 -0.61 -0.05 0.00 -1.36 0.00 0.00 55.97 54.27 2kku s LYS 29 Cb -0.21 -1.68 -0.24 0.00 -1.68 0.00 0.00 37.83 34.02 2kku s LYS 29 CO 0.22 0.16 3.40 -2.30 -0.76 0.00 0.00 175.35 176.07 2kku n PRO 30 N 3.44 1.86 -2.89 -1.68 -0.02 -1.26 -0.53 135.00 133.92 2kku n PRO 30 Ca -0.20 -0.89 -0.09 0.00 -2.02 0.00 0.00 63.50 60.30 2kku n PRO 30 Cb 0.52 -1.90 0.01 0.00 -0.02 0.00 0.00 33.50 32.11 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 2.43 -3.01 -0.30 3.55 0.00 -1.06 -4.78 120.51 117.34 2kku n ALA 31 Ca 0.38 1.03 0.00 0.00 0.00 0.00 0.00 53.44 54.85 2kku n ALA 31 Cb 0.86 -3.32 0.00 0.00 0.00 0.00 0.00 19.45 16.99 2kku n ALA 31 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2kku n THR 32 N -0.15 0.00 -3.58 0.00 -1.04 -1.26 -5.04 114.28 103.21 2kku n THR 32 Ca 0.09 0.06 -0.37 0.00 -2.04 0.00 0.00 64.05 61.79 2kku n THR 32 Cb 0.42 -0.94 -0.08 0.00 -1.82 0.00 0.00 70.33 67.91 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 -0.70 5.32 0.00 12.58 -7.23 -1.26 -4.84 120.40 124.27 2kku s VAL 33 Ca 0.00 0.39 0.00 0.00 -1.81 0.00 0.00 61.98 60.56 2kku s VAL 33 Cb 0.00 -3.58 0.00 0.00 0.56 0.00 0.00 36.38 33.36 2kku s VAL 33 CO 0.00 0.34 0.00 1.87 -0.31 0.00 0.00 175.10 177.00 2kku n TRP 34 N 4.07 0.00 -0.17 2.82 -0.00 -1.26 -4.86 117.44 118.04 2kku n TRP 34 Ca -0.13 0.00 -0.03 0.00 -0.00 0.00 0.00 57.50 57.34 2kku n TRP 34 Cb 0.52 0.00 0.06 0.00 -0.00 0.00 0.00 31.31 31.89 2kku n TRP 34 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 177.69 178.56 2kku h LYS 35 N 0.00 0.44 0.00 5.87 1.57 -2.04 -2.33 116.57 120.08 2kku h LYS 35 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2kku h LYS 35 Cb 0.00 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.21 2kku h LYS 35 CO 0.00 0.29 -1.15 0.39 -0.57 0.00 0.00 179.45 178.41 2kku n GLU 36 N -4.93 0.47 -1.68 3.15 -0.58 -1.26 -4.91 120.64 110.90 2kku n GLU 36 Ca 0.05 0.02 -0.42 0.00 -0.42 0.00 0.00 57.16 56.39 2kku n GLU 36 Cb 0.17 -1.68 -0.03 0.00 -0.57 0.00 0.00 31.44 29.33 2kku n GLU 36 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2kku s LEU 37 N -4.58 3.44 0.07 -4.62 2.01 -0.88 -4.98 118.68 109.14 2kku s LEU 37 Ca 0.00 1.61 0.05 0.00 0.01 0.00 0.00 54.13 55.80 2kku s LEU 37 Cb 0.12 -3.33 -0.03 0.00 0.01 0.00 0.00 46.19 42.96 2kku s LEU 37 CO 0.81 -2.07 -0.13 -1.59 1.01 0.00 0.00 176.35 174.38 2kku s LYS 38 N 6.54 0.79 -0.53 1.70 0.00 -1.26 -4.93 119.74 122.06 2kku s LYS 38 Ca 0.95 -0.95 -0.27 0.00 0.00 0.00 0.00 55.97 55.70 2kku s LYS 38 Cb -0.28 -0.74 -0.01 0.00 0.00 0.00 0.00 37.83 36.80 2kku s LYS 38 CO 0.33 0.16 1.71 -1.25 0.00 0.00 0.00 175.35 176.30 2kku s PRO 39 N -1.83 3.00 0.00 1.78 0.04 -1.26 -2.88 135.00 133.85 2kku s PRO 39 Ca -0.02 0.77 0.00 0.00 0.04 0.00 0.00 61.00 61.79 2kku s PRO 39 Cb -0.09 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 30.18 2kku s PRO 39 CO 0.02 -2.28 0.00 0.41 0.04 0.00 0.00 177.00 175.19 2kku n GLY 40 N 5.50 0.22 3.11 0.56 0.00 0.56 -4.91 105.19 110.24 2kku n GLY 40 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.04 -4.06 1.61 2.81 -1.14 -4.86 117.12 110.44 2kku n MET 41 Ca 0.00 -1.66 -0.22 0.00 -1.81 0.00 0.00 57.70 54.01 2kku n MET 41 Cb 0.00 -1.10 -0.05 0.00 -0.71 0.00 0.00 33.22 31.36 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 -5.34 2.76 -0.28 0.03 -2.85 -0.46 -0.58 119.74 113.02 2kku s LYS 42 Ca 0.61 -1.20 -0.03 0.00 -1.00 0.00 0.00 55.97 54.36 2kku s LYS 42 Cb -0.02 -2.46 0.09 0.00 -2.06 0.00 0.00 37.83 33.38 2kku s LYS 42 CO 0.43 0.30 0.10 0.12 0.10 0.00 0.00 175.35 176.40 2kku s PHE 43 N -2.22 0.94 -0.20 1.78 2.19 -0.42 -2.18 117.98 117.87 2kku s PHE 43 Ca 0.35 -1.17 -0.22 0.00 0.33 0.00 0.00 56.93 56.21 2kku s PHE 43 Cb -0.07 -1.22 -0.02 0.00 -1.31 0.00 0.00 43.02 40.40 2kku s PHE 43 CO 0.25 -0.80 0.70 0.08 1.83 0.00 0.00 175.22 177.28 2kku s VAL 44 N 1.88 4.96 -0.25 3.12 1.01 -0.80 -0.59 120.40 129.73 2kku s VAL 44 Ca 0.08 1.33 -0.18 0.00 0.00 0.00 0.00 61.98 63.21 2kku s VAL 44 Cb -0.17 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 2kku s VAL 44 CO -0.27 0.06 0.51 -0.36 0.00 0.00 0.00 175.10 175.04 2kku s PHE 45 N 2.14 3.29 0.74 5.22 0.08 0.08 -2.65 117.98 126.87 2kku s PHE 45 Ca 0.31 0.65 -0.06 0.00 0.12 0.00 0.00 56.93 57.96 2kku s PHE 45 Cb -0.16 -2.70 0.11 0.00 -0.57 0.00 0.00 43.02 39.70 2kku s PHE 45 CO 0.10 -0.24 1.04 -0.47 -0.10 0.00 0.00 175.22 175.55 2kku s TYR 46 N 2.16 2.22 -0.14 0.36 5.04 -0.21 -1.37 117.35 125.41 2kku s TYR 46 Ca 0.21 0.14 -0.04 0.00 -2.44 0.00 0.00 57.07 54.94 2kku s TYR 46 Cb -0.16 -3.27 0.02 0.00 0.35 0.00 0.00 41.96 38.91 2kku s TYR 46 CO 0.09 -1.69 0.09 0.94 -1.34 0.00 0.00 175.55 173.63 2kku n GLN 47 N -3.00 -2.49 -1.40 4.97 7.27 0.16 -4.51 117.38 118.39 2kku n GLN 47 Ca 0.12 2.11 -0.40 0.00 0.07 0.00 0.00 57.00 58.90 2kku n GLN 47 Cb 0.60 -3.54 -0.02 0.00 2.41 0.00 0.00 30.24 29.69 2kku n GLN 47 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 2kku n SER 48 N 0.76 4.29 -3.01 1.69 3.41 0.68 -4.30 113.62 117.14 2kku n SER 48 Ca -0.15 -2.70 -0.00 0.00 -0.26 0.00 0.00 58.87 55.76 2kku n SER 48 Cb 0.22 -1.43 -0.00 0.00 -0.26 0.00 0.00 64.21 62.74 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 5.94 -1.43 0.00 7.33 -0.00 -1.26 -3.39 115.22 122.41 2kku n HIS 49 Ca 0.54 0.68 0.00 0.00 0.46 0.00 0.00 57.72 59.40 2kku n HIS 49 Cb 0.34 -2.04 0.00 0.00 -0.12 0.00 0.00 29.99 28.17 2kku n HIS 49 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2kku n GLU 50 N 1.32 0.00 -1.77 1.57 1.02 -1.26 -4.93 120.64 116.59 2kku n GLU 50 Ca -0.03 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.82 2kku n GLU 50 Cb 0.31 -0.01 0.09 0.00 -0.02 0.00 0.00 31.44 31.80 2kku n GLU 50 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2kku s ASP 51 N 0.00 4.51 0.02 1.62 1.11 -1.22 -5.09 116.67 117.62 2kku s ASP 51 Ca 0.00 0.98 -0.09 0.00 0.18 0.00 0.00 52.55 53.62 2kku s ASP 51 Cb 0.00 -1.59 -0.05 0.00 1.07 0.00 0.00 42.92 42.35 2kku s ASP 51 CO 0.00 -1.92 0.32 0.42 1.18 0.00 0.00 175.17 175.17 2kku s THR 52 N -3.40 5.21 0.00 -1.27 -4.23 -1.26 -0.28 115.64 110.41 2kku s THR 52 Ca 0.61 0.37 0.00 0.00 -1.18 0.00 0.00 61.69 61.50 2kku s THR 52 Cb -0.12 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 70.12 2kku s THR 52 CO 0.51 0.40 0.00 0.61 -0.54 0.00 0.00 174.62 175.61 2kku n GLY 53 N 1.26 3.63 3.62 3.99 0.00 -1.26 -4.45 105.19 111.97 2kku n GLY 53 Ca -0.12 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.73 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 -2.24 2.22 0.14 1.61 0.08 -0.21 0.37 117.98 119.95 2kku s PHE 54 Ca 0.00 0.64 -0.06 0.00 0.12 0.00 0.00 56.93 57.63 2kku s PHE 54 Cb 0.00 -4.05 -0.05 0.00 -0.57 0.00 0.00 43.02 38.35 2kku s PHE 54 CO 0.00 -2.55 1.36 -0.24 -0.10 0.00 0.00 175.22 173.69 2kku h VAL 55 N 6.27 1.34 -0.44 -0.44 3.04 -1.41 -3.37 116.25 121.25 2kku h VAL 55 Ca -0.31 -2.13 0.00 0.00 -1.01 0.00 0.00 66.70 63.25 2kku h VAL 55 Cb 1.14 2.12 0.00 0.00 -2.01 0.00 0.00 31.29 32.54 2kku h VAL 55 CO 1.03 0.65 0.00 0.61 -1.01 0.00 0.00 177.57 178.85 2kku n GLY 56 N 0.68 0.84 3.37 3.17 0.00 -1.10 -0.81 105.19 111.35 2kku n GLY 56 Ca -0.06 -0.68 -0.17 0.00 0.00 0.00 0.00 46.02 45.11 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 0.03 1.82 0.09 1.61 -1.05 -0.72 -0.74 118.70 119.75 2kku s GLU 57 Ca 0.00 -1.91 -0.03 0.00 -0.15 0.00 0.00 54.97 52.88 2kku s GLU 57 Cb 0.00 0.37 0.01 0.00 -0.44 0.00 0.00 34.13 34.07 2kku s GLU 57 CO 0.00 -0.71 0.17 0.00 0.95 0.00 0.00 175.26 175.67 2kku n ALA 58 N -0.59 -0.33 -3.98 -0.84 0.00 0.24 0.11 120.51 115.10 2kku n ALA 58 Ca 0.05 -0.33 -0.29 0.00 0.00 0.00 0.00 53.44 52.86 2kku n ALA 58 Cb 0.62 0.27 -0.16 0.00 0.00 0.00 0.00 19.45 20.17 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 -2.07 2.01 0.08 0.00 1.81 -0.41 -1.31 118.95 119.07 2kku s ARG 59 Ca 0.05 -0.58 -0.31 0.00 -1.72 0.00 0.00 55.73 53.17 2kku s ARG 59 Cb -0.01 -2.09 -0.09 0.00 -0.45 0.00 0.00 34.95 32.31 2kku s ARG 59 CO 0.03 -0.31 1.68 0.42 -0.68 0.00 0.00 175.30 176.44 2kku s ILE 60 N 1.52 2.92 0.00 1.52 1.01 0.26 -1.88 121.20 126.55 2kku s ILE 60 Ca 0.03 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.08 2kku s ILE 60 Cb -0.14 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.07 2kku s ILE 60 CO -0.09 0.00 0.00 0.29 0.00 0.00 0.00 174.94 175.14 2kku n LYS 61 N 5.53 0.71 0.00 2.79 4.76 0.65 -0.32 118.16 132.29 2kku n LYS 61 Ca 0.16 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 2kku n LYS 61 Cb 0.40 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.59 2kku n LYS 61 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2kku n ARG 62 N 0.00 0.00 -3.57 1.97 0.63 -1.26 -2.40 116.66 112.03 2kku n ARG 62 Ca 0.00 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.52 2kku n ARG 62 Cb 0.00 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 32.80 2kku n ARG 62 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 2kku s VAL 63 N 0.00 4.68 -0.29 5.15 -7.23 -1.26 -1.63 120.40 119.82 2kku s VAL 63 Ca 0.00 -0.85 -0.19 0.00 -1.81 0.00 0.00 61.98 59.14 2kku s VAL 63 Cb 0.00 -3.62 -0.02 0.00 0.56 0.00 0.00 36.38 33.30 2kku s VAL 63 CO 0.00 -0.26 0.55 -0.69 -0.31 0.00 0.00 175.10 174.39 2kku s VAL 64 N 1.57 5.01 -0.23 1.32 1.01 -0.55 -4.87 120.40 123.67 2kku s VAL 64 Ca 0.02 0.77 -0.16 0.00 0.00 0.00 0.00 61.98 62.62 2kku s VAL 64 Cb -0.19 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2kku s VAL 64 CO 0.07 -0.05 0.40 -0.76 0.00 0.00 0.00 175.10 174.76 2kku s LEU 65 N 2.43 4.11 -0.18 3.92 1.43 -1.26 -0.70 118.68 128.42 2kku s LEU 65 Ca 0.22 0.44 -0.15 0.00 -1.03 0.00 0.00 54.13 53.61 2kku s LEU 65 Cb -0.15 -2.49 0.05 0.00 0.03 0.00 0.00 46.19 43.63 2kku s LEU 65 CO 0.11 -0.12 0.47 -0.55 0.23 0.00 0.00 176.35 176.49 2kku s SER 66 N 1.26 -0.53 0.47 2.29 0.15 -0.26 -5.01 113.70 112.07 2kku s SER 66 Ca 0.18 0.97 0.32 0.00 0.70 0.00 0.00 55.95 58.12 2kku s SER 66 Cb -0.15 0.94 1.48 0.00 -1.71 0.00 0.00 66.02 66.58 2kku s SER 66 CO 0.08 -0.18 1.95 -0.33 1.20 0.00 0.00 173.24 175.97 2kku h GLU 67 N 5.91 0.00 -5.05 5.44 5.08 -1.77 -0.81 114.58 123.38 2kku h GLU 67 Ca -0.30 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.43 2kku h GLU 67 Cb 1.18 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.28 2kku h GLU 67 CO 0.23 0.00 -0.38 -0.80 -1.00 0.00 0.00 179.01 177.06 2kku s ASN 68 N -4.94 6.15 0.49 1.42 0.01 -1.26 -4.27 114.94 112.55 2kku s ASN 68 Ca 0.00 0.16 0.24 0.00 -0.71 0.00 0.00 52.86 52.55 2kku s ASN 68 Cb 0.09 -2.16 1.30 0.00 0.41 0.00 0.00 41.25 40.89 2kku s ASN 68 CO 0.42 -0.10 2.03 1.55 -1.51 0.00 0.00 177.10 179.49 2kku h PRO 69 N 8.16 0.00 0.00 -0.60 0.13 -1.92 -3.11 132.00 134.65 2kku h PRO 69 Ca -0.34 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.76 2kku h PRO 69 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2kku h PRO 69 CO 0.61 0.15 -0.15 0.52 -0.23 0.00 0.00 178.00 178.91 2kku h MET 70 N 0.00 0.00 -0.52 0.86 2.86 -1.95 -2.59 114.93 113.59 2kku h MET 70 Ca -0.00 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.71 2kku h MET 70 Cb 0.37 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 2kku h MET 70 CO 0.02 0.15 0.35 1.96 1.06 0.00 0.00 176.91 180.45 2kku h GLN 71 N 0.00 0.39 0.04 1.72 1.08 -1.95 -2.09 115.11 114.29 2kku h GLN 71 Ca -0.00 -0.02 -0.23 0.00 -1.45 0.00 0.00 58.65 56.94 2kku h GLN 71 Cb 0.77 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.09 2kku h GLN 71 CO 0.02 0.26 -1.11 0.74 -0.95 0.00 0.00 178.83 177.79 2kku h PHE 72 N 0.40 0.14 0.00 2.96 0.04 -1.67 -1.87 116.94 116.95 2kku h PHE 72 Ca 0.23 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.90 2kku h PHE 72 Cb 0.40 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.54 2kku h PHE 72 CO -0.00 1.09 0.00 0.74 -0.60 0.00 0.00 178.31 179.53 2kku h PHE 73 N 0.02 0.00 0.05 -0.55 0.04 -1.50 -0.10 116.94 114.90 2kku h PHE 73 Ca -0.06 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.35 2kku h PHE 73 Cb 1.84 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.94 2kku h PHE 73 CO 0.02 0.00 -2.15 -0.85 -0.60 0.00 0.00 178.31 174.73 2kku n GLU 74 N -2.74 0.69 0.06 1.51 0.28 -0.84 -3.56 120.64 116.04 2kku n GLU 74 Ca 0.04 0.20 -0.08 0.00 -0.16 0.00 0.00 57.16 57.16 2kku n GLU 74 Cb 0.47 -1.64 -0.05 0.00 1.43 0.00 0.00 31.44 31.64 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 0.03 0.48 0.00 3.84 2.02 -1.33 -3.42 112.91 114.52 2kku h THR 75 Ca -0.47 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 65.67 2kku h THR 75 Cb 2.02 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.26 2kku h THR 75 CO 0.02 0.14 -0.52 0.49 0.37 0.00 0.00 175.52 176.02 2kku n PHE 76 N -4.93 0.59 0.00 3.16 3.72 -0.18 -4.99 117.46 114.83 2kku n PHE 76 Ca -0.06 0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 2kku n PHE 76 Cb 0.21 -0.62 0.00 0.00 -0.94 0.00 0.00 39.48 38.13 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 1.60 1.47 0.32 1.37 0.00 -0.41 -3.54 105.19 106.00 2kku n GLY 77 Ca -0.07 0.30 -0.01 0.00 0.00 0.00 0.00 46.02 46.24 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 0.81 -0.19 1.61 1.82 -1.90 -2.71 116.42 115.85 2kku h ASP 78 Ca 0.00 -0.09 -0.07 0.00 -0.39 0.00 0.00 57.03 56.48 2kku h ASP 78 Cb 0.00 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 39.79 2kku h ASP 78 CO 0.00 0.70 -0.10 0.03 -1.61 0.00 0.00 179.24 178.26 2kku h ARG 79 N 0.90 0.56 -6.96 0.28 2.47 -1.90 -3.45 114.38 106.28 2kku h ARG 79 Ca 0.22 -0.16 -0.52 0.00 -1.26 0.00 0.00 59.98 58.26 2kku h ARG 79 Cb 0.11 -0.06 0.07 0.00 -1.65 0.00 0.00 29.97 28.44 2kku h ARG 79 CO -0.03 0.66 0.55 0.08 0.56 0.00 0.00 179.97 181.79 2kku s VAL 80 N -4.79 2.85 -0.32 2.04 1.01 -1.03 0.22 120.40 120.39 2kku s VAL 80 Ca -0.08 0.72 0.21 0.00 0.00 0.00 0.00 61.98 62.83 2kku s VAL 80 Cb 0.15 -3.40 0.21 0.00 0.00 0.00 0.00 36.38 33.34 2kku s VAL 80 CO 0.78 0.07 1.65 2.22 0.00 0.00 0.00 175.10 179.82 2kku n PHE 81 N -0.05 0.72 -4.21 5.22 1.16 -0.62 -4.68 117.46 115.00 2kku n PHE 81 Ca 0.05 0.35 -0.12 0.00 -1.87 0.00 0.00 57.45 55.85 2kku n PHE 81 Cb 0.45 -1.05 -0.10 0.00 -1.61 0.00 0.00 39.48 37.17 2kku n PHE 81 CO 0.00 0.00 0.00 -0.48 -1.87 0.00 0.00 176.76 174.41 2kku s LEU 82 N -4.42 1.20 0.43 5.98 2.34 -1.26 -4.78 118.68 118.16 2kku s LEU 82 Ca -0.00 -1.40 0.08 0.00 0.06 0.00 0.00 54.13 52.87 2kku s LEU 82 Cb 0.07 0.36 0.01 0.00 -0.56 0.00 0.00 46.19 46.08 2kku s LEU 82 CO 0.24 -0.84 0.58 0.28 -1.06 0.00 0.00 176.35 175.56 2kku s THR 83 N -4.11 2.94 0.48 5.48 -1.32 -1.26 -4.94 115.64 112.91 2kku s THR 83 Ca 0.39 -1.00 0.21 0.00 -1.21 0.00 0.00 61.69 60.08 2kku s THR 83 Cb 0.07 -2.94 0.26 0.00 -1.51 0.00 0.00 72.50 68.38 2kku s THR 83 CO 0.13 0.00 2.10 0.50 -2.21 0.00 0.00 174.62 175.13 2kku h LYS 84 N 0.61 0.00 -0.04 7.08 3.64 -1.94 -1.69 116.57 124.23 2kku h LYS 84 Ca -0.39 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.98 2kku h LYS 84 Cb 1.28 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2kku h LYS 84 CO 0.45 0.10 0.01 -0.44 -2.27 0.00 0.00 179.45 177.30 2kku h ASP 85 N 0.00 0.06 -0.94 4.20 5.19 -2.00 -1.61 116.42 121.32 2kku h ASP 85 Ca -0.00 -0.23 0.07 0.00 -0.62 0.00 0.00 57.03 56.25 2kku h ASP 85 Cb 0.20 -0.02 -0.07 0.00 0.18 0.00 0.00 39.33 39.62 2kku h ASP 85 CO 0.01 0.28 0.60 -0.33 -3.12 0.00 0.00 179.24 176.67 2kku h GLU 86 N -0.15 1.03 0.50 3.56 4.39 -1.76 -2.85 114.58 119.31 2kku h GLU 86 Ca 0.01 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 2kku h GLU 86 Cb 0.24 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 2kku h GLU 86 CO 0.00 0.68 -0.32 1.25 -1.16 0.00 0.00 179.01 179.46 2kku h LEU 87 N 1.06 -0.80 -0.90 1.33 5.85 -1.17 -0.79 115.31 119.89 2kku h LEU 87 Ca 0.42 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 59.17 2kku h LEU 87 Cb 0.22 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 2kku h LEU 87 CO -0.19 -0.49 0.48 0.07 -0.34 0.00 0.00 178.44 177.97 2kku h LYS 88 N -0.78 1.26 0.00 1.25 5.09 -1.10 -0.95 116.57 121.35 2kku h LYS 88 Ca -0.06 -0.15 0.00 0.00 0.09 0.00 0.00 60.65 60.53 2kku h LYS 88 Cb 0.64 -0.24 0.00 0.00 0.10 0.00 0.00 32.23 32.73 2kku h LYS 88 CO 0.05 0.93 -0.34 1.05 -2.09 0.00 0.00 179.45 179.05 2kku h GLU 89 N 1.26 0.00 -0.38 0.07 4.11 -1.56 -2.18 114.58 115.90 2kku h GLU 89 Ca 0.31 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.59 2kku h GLU 89 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2kku h GLU 89 CO -0.05 0.00 -0.39 -0.92 0.07 0.00 0.00 179.01 177.72 2kku h TYR 90 N 0.00 1.11 -0.01 2.06 3.20 -0.49 -0.76 116.97 122.08 2kku h TYR 90 Ca 0.00 -0.33 -0.15 0.00 3.14 0.00 0.00 58.73 61.39 2kku h TYR 90 Cb 0.94 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 2kku h TYR 90 CO 0.00 1.16 -0.68 0.52 -1.64 0.00 0.00 178.16 177.51 2kku h MET 91 N 0.75 0.06 -0.45 1.82 2.86 -1.11 -1.37 114.93 117.50 2kku h MET 91 Ca 0.06 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.54 2kku h MET 91 Cb 0.98 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.63 2kku h MET 91 CO 0.10 0.72 -0.15 0.87 1.06 0.00 0.00 176.91 179.51 2kku h LYS 92 N 0.04 0.85 -0.13 1.72 1.79 -1.38 -2.62 116.57 116.84 2kku h LYS 92 Ca -0.01 -0.31 -0.07 0.00 -2.18 0.00 0.00 60.65 58.08 2kku h LYS 92 Cb 1.21 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.79 2kku h LYS 92 CO 0.09 0.94 -0.22 1.03 -1.08 0.00 0.00 179.45 180.22 2kku h SER 93 N 0.76 0.22 0.38 0.86 0.87 -0.78 -2.50 113.55 113.36 2kku h SER 93 Ca 0.12 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 2kku h SER 93 Cb 0.66 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 2kku h SER 93 CO 0.05 0.45 -0.18 1.56 -0.53 0.00 0.00 176.83 178.18 2kku h GLN 94 N 0.21 -0.49 0.00 2.24 1.08 -1.10 -1.53 115.11 115.51 2kku h GLN 94 Ca 0.04 0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.24 2kku h GLN 94 Cb 0.51 0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 28.05 2kku h GLN 94 CO 0.03 -0.18 -0.14 1.05 -0.95 0.00 0.00 178.83 178.65 2kku h GLU 95 N -0.92 0.00 0.01 1.46 4.11 -1.43 0.69 114.58 118.51 2kku h GLU 95 Ca -0.05 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.07 2kku h GLU 95 Cb 0.54 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 2kku h GLU 95 CO 0.09 0.14 -1.83 2.89 0.07 0.00 0.00 179.01 180.36 2kku n ARG 96 N -3.81 0.65 -0.00 1.06 1.85 -0.95 -4.17 116.66 111.29 2kku n ARG 96 Ca -0.02 0.25 -0.01 0.00 -1.00 0.00 0.00 57.85 57.08 2kku n ARG 96 Cb 0.24 -1.75 -0.00 0.00 -1.05 0.00 0.00 32.46 29.90 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 -3.05 0.00 1.42 2.89 5.03 -0.58 -4.74 117.44 118.41 2kku n TRP 97 Ca -0.21 0.00 0.10 0.00 3.03 0.00 0.00 57.50 60.42 2kku n TRP 97 Cb 1.06 -0.03 0.59 0.00 -1.03 0.00 0.00 31.31 31.90 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 2.52 -0.71 0.94 6.99 0.00 0.37 -4.98 105.19 110.31 2kku n GLY 98 Ca -0.01 -0.12 0.02 0.00 0.00 0.00 0.00 46.02 45.91 2kku n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kku n ARG 99 N -0.94 -2.42 -3.71 1.61 1.74 0.21 -4.92 116.66 108.23 2kku n ARG 99 Ca 0.15 1.90 -0.15 0.00 -0.77 0.00 0.00 57.85 58.98 2kku n ARG 99 Cb 0.07 -2.43 -0.15 0.00 -1.02 0.00 0.00 32.46 28.93 2kku n ARG 99 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2kku s ARG 100 N -4.66 0.08 -0.02 5.56 0.52 -1.26 -4.36 118.95 114.81 2kku s ARG 100 Ca 0.00 0.47 -0.25 0.00 -0.52 0.00 0.00 55.73 55.43 2kku s ARG 100 Cb 0.00 -0.20 -0.20 0.00 0.52 0.00 0.00 34.95 35.07 2kku s ARG 100 CO 0.00 -0.22 1.27 -0.09 0.02 0.00 0.00 175.30 176.28 2kku h ARG 101 N 7.69 0.03 -2.07 3.54 2.43 -1.97 -3.49 114.38 120.53 2kku h ARG 101 Ca -0.31 -0.02 0.23 0.00 -0.81 0.00 0.00 59.98 59.07 2kku h ARG 101 Cb 1.13 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.60 2kku h ARG 101 CO 0.31 0.52 0.64 -2.00 -1.51 0.00 0.00 179.97 177.92 2kku s GLU 102 N -4.24 0.91 -0.03 0.20 -6.30 -1.26 -5.02 118.70 102.97 2kku s GLU 102 Ca -0.16 -0.53 -0.19 0.00 -2.50 0.00 0.00 54.97 51.60 2kku s GLU 102 Cb 0.02 0.30 -0.32 0.00 0.00 0.00 0.00 34.13 34.12 2kku s GLU 102 CO 0.68 -0.42 0.88 1.03 0.02 0.00 0.00 175.26 177.45 2kku h SER 103 N 2.00 0.60 0.00 -1.70 0.87 -2.04 -3.48 113.55 109.80 2kku h SER 103 Ca -0.27 -0.93 0.00 0.00 -1.23 0.00 0.00 61.79 59.36 2kku h SER 103 Cb 1.22 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.98 2kku h SER 103 CO 0.29 1.55 0.00 1.17 -0.53 0.00 0.00 176.83 179.31 2kku n LYS 104 N -3.94 0.00 -3.81 2.24 3.00 -1.26 -4.36 118.16 110.04 2kku n LYS 104 Ca -0.17 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.02 2kku n LYS 104 Cb 0.94 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 35.86 2kku n LYS 104 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2kku s LYS 105 N 0.00 0.35 0.54 1.64 2.20 -1.26 -5.16 119.74 118.05 2kku s LYS 105 Ca 0.00 0.09 -0.21 0.00 -0.36 0.00 0.00 55.97 55.48 2kku s LYS 105 Cb 0.00 0.16 -0.06 0.00 -1.51 0.00 0.00 37.83 36.42 2kku s LYS 105 CO 0.00 -0.06 1.24 0.36 -0.36 0.00 0.00 175.35 176.52 2kku n LYS 106 N 2.45 1.49 -3.99 4.03 0.00 -1.26 -5.01 118.16 115.86 2kku n LYS 106 Ca -0.16 0.55 -0.24 0.00 -0.00 0.00 0.00 58.31 58.46 2kku n LYS 106 Cb 0.58 -2.43 -0.03 0.00 -0.00 0.00 0.00 35.03 33.15 2kku n LYS 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2kku s LYS 107 N -2.75 3.30 -0.51 -1.58 2.47 -1.26 -5.03 119.74 114.37 2kku s LYS 107 Ca 0.71 -0.73 -0.28 0.00 -1.56 0.00 0.00 55.97 54.12 2kku s LYS 107 Cb -0.43 -2.85 -0.00 0.00 -1.46 0.00 0.00 37.83 33.08 2kku s LYS 107 CO 0.50 0.48 1.63 -1.17 0.16 0.00 0.00 175.35 176.95 2kku s LEU 108 N -3.45 3.40 0.54 5.43 1.98 -1.26 -4.28 118.68 121.03 2kku s LEU 108 Ca 0.34 0.56 -0.06 0.00 -2.89 0.00 0.00 54.13 52.08 2kku s LEU 108 Cb -0.10 -3.03 -0.02 0.00 0.66 0.00 0.00 46.19 43.69 2kku s LEU 108 CO 0.27 -1.89 0.86 0.26 -1.89 0.00 0.00 176.35 173.96 2kku s TRP 109 N 7.09 3.47 0.03 5.38 0.52 -0.31 -2.56 118.94 132.56 2kku s TRP 109 Ca 0.63 0.82 -0.03 0.00 0.02 0.00 0.00 56.10 57.55 2kku s TRP 109 Cb -0.14 -2.51 -0.02 0.00 -1.15 0.00 0.00 33.47 29.65 2kku s TRP 109 CO 0.26 -0.52 0.03 0.00 0.02 0.00 0.00 176.95 176.74 2kku s MET 110 N -4.89 0.50 -0.27 4.98 0.23 0.32 -1.11 119.30 119.07 2kku s MET 110 Ca 0.51 -0.81 -0.01 0.00 -1.03 0.00 0.00 55.69 54.35 2kku s MET 110 Cb -0.10 0.19 0.08 0.00 -1.53 0.00 0.00 34.83 33.46 2kku s MET 110 CO 0.46 -0.11 0.05 0.00 -2.03 0.00 0.00 175.02 173.40 2kku s ALA 111 N -2.51 1.56 -0.26 3.16 0.00 0.12 -1.16 121.76 122.67 2kku s ALA 111 Ca -0.06 -1.42 -0.25 0.00 0.00 0.00 0.00 51.96 50.23 2kku s ALA 111 Cb -0.02 -1.50 -0.00 0.00 0.00 0.00 0.00 23.12 21.60 2kku s ALA 111 CO -0.05 -1.45 0.87 0.42 0.00 0.00 0.00 175.76 175.55 2kku s ILE 112 N 1.59 4.78 -0.75 0.00 1.01 -0.68 -1.48 121.20 125.67 2kku s ILE 112 Ca 0.04 1.56 -0.26 0.00 0.00 0.00 0.00 60.65 61.99 2kku s ILE 112 Cb -0.18 -4.17 0.04 0.00 0.01 0.00 0.00 42.46 38.17 2kku s ILE 112 CO -0.16 -0.16 1.23 -0.70 0.00 0.00 0.00 174.94 175.15 2kku s GLU 113 N 2.98 3.22 0.03 2.79 2.12 -0.65 -1.83 118.70 127.36 2kku s GLU 113 Ca 0.36 -0.48 -0.29 0.00 0.36 0.00 0.00 54.97 54.92 2kku s GLU 113 Cb -0.15 -4.31 -0.04 0.00 0.26 0.00 0.00 34.13 29.89 2kku s GLU 113 CO 0.09 -2.08 0.93 -0.51 -0.54 0.00 0.00 175.26 173.15 2kku s LEU 114 N 5.25 4.41 0.15 2.70 2.01 0.41 -0.25 118.68 133.35 2kku s LEU 114 Ca 0.33 1.64 -0.01 0.00 0.01 0.00 0.00 54.13 56.11 2kku s LEU 114 Cb -0.09 -3.50 -0.04 0.00 0.01 0.00 0.00 46.19 42.56 2kku s LEU 114 CO 0.11 -0.16 0.07 -1.83 1.01 0.00 0.00 176.35 175.55 2kku s GLU 115 N 0.57 0.99 -1.41 1.70 4.04 -0.79 -1.76 118.70 122.05 2kku s GLU 115 Ca 0.48 -1.48 -0.09 0.00 0.04 0.00 0.00 54.97 53.91 2kku s GLU 115 Cb -0.21 0.22 0.04 0.00 0.02 0.00 0.00 34.13 34.19 2kku s GLU 115 CO 0.27 -0.28 1.05 -3.47 -1.84 0.00 0.00 175.26 171.00 2kku n ASP 116 N -0.14 -4.99 -4.59 0.83 2.03 -0.94 -1.29 116.55 107.47 2kku n ASP 116 Ca -0.04 -0.66 -0.42 0.00 0.52 0.00 0.00 54.79 54.18 2kku n ASP 116 Cb 0.64 -4.51 -0.03 0.00 -0.72 0.00 0.00 41.12 36.51 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 -3.35 3.42 0.48 5.18 1.01 -0.94 -4.48 120.40 121.73 2kku s VAL 117 Ca 0.52 0.41 -0.10 0.00 0.00 0.00 0.00 61.98 62.82 2kku s VAL 117 Cb -0.25 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 2kku s VAL 117 CO 0.78 -0.41 0.85 -0.75 0.00 0.00 0.00 175.10 175.57 2kku s LYS 118 N 5.87 3.69 -0.18 2.72 2.47 0.12 -4.87 119.74 129.56 2kku s LYS 118 Ca 0.81 0.49 0.01 0.00 -1.56 0.00 0.00 55.97 55.72 2kku s LYS 118 Cb -0.22 -2.30 0.03 0.00 -1.46 0.00 0.00 37.83 33.88 2kku s LYS 118 CO 0.33 -0.22 -0.14 0.15 0.16 0.00 0.00 175.35 175.63 2kku s LYS 119 N -4.40 2.40 -0.77 4.03 -0.14 -1.26 -1.75 119.74 117.85 2kku s LYS 119 Ca 0.52 -0.77 -0.26 0.00 -1.36 0.00 0.00 55.97 54.09 2kku s LYS 119 Cb -0.10 -2.38 0.02 0.00 -1.68 0.00 0.00 37.83 33.69 2kku s LYS 119 CO 0.40 -0.31 1.41 0.71 -0.76 0.00 0.00 175.35 176.80 2kku s TYR 120 N 1.38 2.21 0.39 3.18 2.02 0.01 -4.85 117.35 121.69 2kku s TYR 120 Ca 0.02 -0.02 0.11 0.00 -0.37 0.00 0.00 57.07 56.81 2kku s TYR 120 Cb -0.14 -4.54 0.78 0.00 -0.40 0.00 0.00 41.96 37.66 2kku s TYR 120 CO -0.10 -2.08 1.90 0.22 -1.57 0.00 0.00 175.55 173.91 2kku h ASP 121 N 10.76 0.16 -3.34 2.29 3.58 -1.91 -3.43 116.42 124.52 2kku h ASP 121 Ca -0.20 -0.04 -0.56 0.00 0.42 0.00 0.00 57.03 56.66 2kku h ASP 121 Cb 1.06 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 42.03 2kku h ASP 121 CO 1.29 0.37 0.05 -1.59 -2.88 0.00 0.00 179.24 176.48 2kku s LYS 122 N -4.58 4.35 -0.99 0.28 -2.85 -1.26 -5.02 119.74 109.67 2kku s LYS 122 Ca -0.05 0.88 -0.23 0.00 -1.00 0.00 0.00 55.97 55.57 2kku s LYS 122 Cb 0.15 -3.28 0.00 0.00 -2.06 0.00 0.00 37.83 32.65 2kku s LYS 122 CO 0.73 0.53 1.69 -1.25 0.10 0.00 0.00 175.35 177.14 2kku s PRO 123 N -0.81 3.14 0.04 1.78 0.04 -1.26 -4.92 135.00 133.00 2kku s PRO 123 Ca 0.32 -0.82 -0.30 0.00 0.04 0.00 0.00 61.00 60.24 2kku s PRO 123 Cb -0.20 -5.24 -0.04 0.00 0.04 0.00 0.00 34.50 29.05 2kku s PRO 123 CO 0.21 -2.77 1.02 0.42 0.04 0.00 0.00 177.00 175.92 2kku s ILE 124 N 7.31 4.59 -0.04 0.56 1.01 -1.26 -4.91 121.20 128.45 2kku s ILE 124 Ca 0.57 1.93 -0.04 0.00 0.00 0.00 0.00 60.65 63.12 2kku s ILE 124 Cb -0.03 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 2kku s ILE 124 CO -0.04 0.19 0.15 -1.59 0.00 0.00 0.00 174.94 173.65 2kku s LYS 125 N 0.74 3.38 0.67 2.79 0.00 -1.26 -1.04 119.74 125.01 2kku s LYS 125 Ca 0.52 -0.29 -0.11 0.00 0.00 0.00 0.00 55.97 56.09 2kku s LYS 125 Cb -0.23 -3.09 -0.01 0.00 0.00 0.00 0.00 37.83 34.50 2kku s LYS 125 CO 0.29 0.70 1.05 -1.25 0.00 0.00 0.00 175.35 176.15 2kku s PRO 126 N -1.63 3.20 -0.01 1.78 0.04 -1.26 -4.99 135.00 132.13 2kku s PRO 126 Ca 0.23 0.75 -0.25 0.00 0.04 0.00 0.00 61.00 61.77 2kku s PRO 126 Cb -0.12 -2.04 -0.19 0.00 0.04 0.00 0.00 34.50 32.20 2kku s PRO 126 CO 0.14 -0.86 1.24 0.87 0.04 0.00 0.00 177.00 178.42 2kku h LYS 127 N -0.53 -0.12 -5.29 4.56 1.79 -2.07 -3.47 116.57 111.44 2kku h LYS 127 Ca -0.44 0.01 -0.67 0.00 -2.18 0.00 0.00 60.65 57.37 2kku h LYS 127 Cb 1.21 0.03 -0.12 0.00 -1.58 0.00 0.00 32.23 31.77 2kku h LYS 127 CO 0.61 0.30 -0.50 -0.98 -1.08 0.00 0.00 179.45 177.80 2kku s ARG 128 N -4.36 2.19 0.32 3.15 1.70 -1.26 -5.13 118.95 115.56 2kku s ARG 128 Ca -0.15 -2.35 -0.29 0.00 -0.47 0.00 0.00 55.73 52.47 2kku s ARG 128 Cb 0.02 -1.59 -0.10 0.00 -0.57 0.00 0.00 34.95 32.71 2kku s ARG 128 CO 0.62 -0.37 1.20 -0.48 -1.08 0.00 0.00 175.30 175.19 2kku s LEU 129 N -3.91 4.45 -0.47 -1.89 2.34 -1.26 -5.03 118.68 112.91 2kku s LEU 129 Ca 0.09 2.46 -0.12 0.00 0.06 0.00 0.00 54.13 56.63 2kku s LEU 129 Cb 0.02 -3.68 0.10 0.00 -0.56 0.00 0.00 46.19 42.06 2kku s LEU 129 CO 0.05 -0.38 0.37 -0.69 -1.06 0.00 0.00 176.35 174.64 2kku s VAL 130 N -1.18 4.64 1.16 1.48 1.01 -1.26 -4.96 120.40 121.28 2kku s VAL 130 Ca 0.48 -1.49 -0.18 0.00 0.00 0.00 0.00 61.98 60.79 2kku s VAL 130 Cb -0.35 -3.93 0.27 0.00 0.00 0.00 0.00 36.38 32.37 2kku s VAL 130 CO 0.46 -0.69 1.11 -2.16 0.00 0.00 0.00 175.10 173.82 2kku s PRO 131 N 1.48 -0.90 0.44 2.72 0.04 -1.26 -4.66 135.00 132.86 2kku s PRO 131 Ca 0.04 0.02 0.11 0.00 0.04 0.00 0.00 61.00 61.22 2kku s PRO 131 Cb -0.26 -1.63 1.01 0.00 0.04 0.00 0.00 34.50 33.66 2kku s PRO 131 CO 0.02 -3.52 2.06 0.28 0.04 0.00 0.00 177.00 175.88 2kku h VAL 132 N -2.44 1.02 0.00 -0.36 2.07 -1.99 -0.30 116.25 114.25 2kku h VAL 132 Ca -0.47 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.92 2kku h VAL 132 Cb 1.30 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2kku h VAL 132 CO 0.39 0.07 0.00 0.61 0.02 0.00 0.00 177.57 178.65 2kku n GLY 133 N -1.51 -1.33 0.05 2.17 0.00 -1.26 -4.87 105.19 98.44 2kku n GLY 133 Ca 0.04 0.09 0.01 0.00 0.00 0.00 0.00 46.02 46.15 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 0.09 -2.65 3.53 -0.02 0.00 -0.12 -4.84 105.19 101.18 2kku n GLY 134 Ca 0.02 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.30 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 -3.09 2.26 -0.39 1.61 -1.52 -0.68 -4.76 119.66 113.10 2kku s GLN 135 Ca 0.00 -0.89 -0.28 0.00 -1.95 0.00 0.00 55.36 52.24 2kku s GLN 135 Cb 0.00 -2.33 0.02 0.00 -0.22 0.00 0.00 33.01 30.48 2kku s GLN 135 CO 0.00 0.56 1.03 0.71 -0.25 0.00 0.00 175.29 177.34 2kku s TYR 136 N -1.01 3.02 -0.19 0.91 2.02 -1.26 -0.83 117.35 120.01 2kku s TYR 136 Ca 0.17 0.88 -0.28 0.00 -0.37 0.00 0.00 57.07 57.47 2kku s TYR 136 Cb -0.11 -3.89 -0.00 0.00 -0.40 0.00 0.00 41.96 37.56 2kku s TYR 136 CO 0.08 -0.94 0.97 -1.17 -1.57 0.00 0.00 175.55 172.92 2kku s LEU 137 N 3.81 4.14 -0.02 -1.29 0.20 -0.42 -4.96 118.68 120.16 2kku s LEU 137 Ca 0.43 1.33 0.07 0.00 0.69 0.00 0.00 54.13 56.65 2kku s LEU 137 Cb -0.11 -3.44 -0.02 0.00 -0.43 0.00 0.00 46.19 42.19 2kku s LEU 137 CO 0.21 -0.56 -0.22 0.00 -0.29 0.00 0.00 176.35 175.50 2kku s ARG 138 N 2.72 2.18 0.00 1.98 3.03 -1.26 -1.52 118.95 126.08 2kku s ARG 138 Ca 0.43 -0.89 0.00 0.00 2.03 0.00 0.00 55.73 57.30 2kku s ARG 138 Cb -0.16 -2.14 0.00 0.00 -1.03 0.00 0.00 34.95 31.62 2kku s ARG 138 CO 0.10 0.57 0.00 -1.91 -1.13 0.00 0.00 175.30 172.93