#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 0.08 7.83 7.64 -1.26 -1.26 113.62 126.65 2kku n SER 2 Ca 0.00 0.32 0.07 0.00 1.01 0.00 0.00 58.87 60.27 2kku n SER 2 Cb 0.00 -0.33 0.33 0.00 -1.01 0.00 0.00 64.21 63.20 2kku n SER 2 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2kku n LYS 3 N -1.33 0.08 -0.82 1.43 2.85 -1.26 -5.01 118.16 114.10 2kku n LYS 3 Ca 0.00 0.53 0.11 0.00 -1.05 0.00 0.00 58.31 57.90 2kku n LYS 3 Cb 0.01 -1.73 -0.03 0.00 -0.65 0.00 0.00 35.03 32.62 2kku n LYS 3 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 2kku n ILE 4 N -1.90 0.00 0.00 0.58 2.08 -0.39 -4.94 119.36 114.79 2kku n ILE 4 Ca -0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2kku n ILE 4 Cb 0.05 -0.28 0.00 0.00 -0.75 0.00 0.00 39.64 38.66 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 -2.87 0.00 -2.59 1.39 0.24 -0.91 -2.94 118.33 110.66 2kku n VAL 5 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 2kku n VAL 5 Cb 0.37 -0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.55 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 -0.02 1.88 3.56 7.63 0.00 -0.78 -1.41 105.19 116.04 2kku n GLY 6 Ca 0.00 -0.71 -0.24 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.55 2.70 -0.02 1.61 0.11 -0.60 -0.86 120.40 120.79 2kku s VAL 7 Ca 0.00 -2.17 0.02 0.00 -2.93 0.00 0.00 61.98 56.90 2kku s VAL 7 Cb 0.00 -2.58 0.00 0.00 -1.53 0.00 0.00 36.38 32.27 2kku s VAL 7 CO 0.00 -0.32 -0.07 0.28 -3.33 0.00 0.00 175.10 171.65 2kku s THR 8 N -2.48 0.65 0.02 5.04 -1.32 -0.03 -1.33 115.64 116.19 2kku s THR 8 Ca 0.32 -0.29 0.02 0.00 -1.21 0.00 0.00 61.69 60.53 2kku s THR 8 Cb -0.03 -0.59 -0.02 0.00 -1.51 0.00 0.00 72.50 70.35 2kku s THR 8 CO 0.17 0.21 -0.07 -0.31 -2.21 0.00 0.00 174.62 172.42 2kku s TYR 9 N 0.22 0.59 0.26 9.09 2.02 -1.03 -1.74 117.35 126.75 2kku s TYR 9 Ca -0.03 -0.34 0.05 0.00 -0.37 0.00 0.00 57.07 56.38 2kku s TYR 9 Cb -0.08 -0.36 0.32 0.00 -0.40 0.00 0.00 41.96 41.44 2kku s TYR 9 CO 0.00 -0.05 1.61 -1.00 -1.57 0.00 0.00 175.55 174.54 2kku h PRO 10 N 5.10 0.26 -5.75 -1.71 0.13 -1.77 -0.01 132.00 128.25 2kku h PRO 10 Ca -0.33 -0.16 -0.14 0.00 -0.87 0.00 0.00 66.00 64.51 2kku h PRO 10 Cb 1.20 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.35 2kku h PRO 10 CO 0.44 0.72 -0.67 -0.89 -0.23 0.00 0.00 178.00 177.38 2kku n ILE 11 N -3.94 -8.49 -0.56 -3.56 2.08 -1.26 -2.09 119.36 101.54 2kku n ILE 11 Ca -0.02 0.46 -0.02 0.00 0.56 0.00 0.00 62.75 63.73 2kku n ILE 11 Cb 0.56 -5.93 -0.03 0.00 -0.75 0.00 0.00 39.64 33.49 2kku n ILE 11 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 2kku n PRO 12 N -0.64 1.12 -4.11 0.38 -0.02 -1.26 -4.53 135.00 125.94 2kku n PRO 12 Ca 0.02 -0.16 -0.09 0.00 -2.02 0.00 0.00 63.50 61.25 2kku n PRO 12 Cb 0.54 -1.18 -0.10 0.00 -0.02 0.00 0.00 33.50 32.74 2kku n PRO 12 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2kku s LYS 13 N 0.25 0.66 0.05 -0.52 1.02 -1.26 -5.04 119.74 114.90 2kku s LYS 13 Ca 0.11 -1.20 0.19 0.00 0.02 0.00 0.00 55.97 55.09 2kku s LYS 13 Cb 0.05 0.05 0.79 0.00 -0.52 0.00 0.00 37.83 38.20 2kku s LYS 13 CO 0.00 -0.07 1.60 2.89 -0.92 0.00 0.00 175.35 178.85 2kku n ARG 14 N 0.21 0.04 0.00 1.68 1.85 -1.26 -2.79 116.66 116.39 2kku n ARG 14 Ca -0.14 0.23 0.00 0.00 -1.00 0.00 0.00 57.85 56.94 2kku n ARG 14 Cb 0.60 -1.57 0.00 0.00 -1.05 0.00 0.00 32.46 30.44 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 -1.65 0.00 -0.06 2.89 3.72 -1.26 -3.07 117.46 118.04 2kku n PHE 15 Ca 0.04 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.44 2kku n PHE 15 Cb 0.22 -0.02 0.28 0.00 -0.94 0.00 0.00 39.48 39.03 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 0.00 0.65 0.00 -1.08 4.05 -1.81 -3.09 114.93 113.66 2kku h MET 16 Ca 0.00 -0.11 -0.02 0.00 -0.28 0.00 0.00 59.70 59.29 2kku h MET 16 Cb 0.08 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 30.77 2kku h MET 16 CO 0.00 0.59 -0.09 -0.44 0.23 0.00 0.00 176.91 177.20 2kku h ASP 17 N 0.64 0.00 -0.57 1.39 3.32 -1.84 -2.84 116.42 116.51 2kku h ASP 17 Ca 0.15 0.00 0.11 0.00 0.02 0.00 0.00 57.03 57.31 2kku h ASP 17 Cb 0.23 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.68 2kku h ASP 17 CO -0.00 0.09 0.03 0.03 -1.72 0.00 0.00 179.24 177.66 2kku h ARG 18 N 0.00 0.14 0.00 3.56 2.47 -1.80 0.19 114.38 118.95 2kku h ARG 18 Ca -0.00 -0.01 -0.06 0.00 -1.26 0.00 0.00 59.98 58.65 2kku h ARG 18 Cb 0.20 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.48 2kku h ARG 18 CO 0.01 0.09 -0.28 0.74 0.56 0.00 0.00 179.97 181.09 2kku h PHE 19 N 0.14 0.00 -0.45 3.04 0.04 -1.70 -1.78 116.94 116.23 2kku h PHE 19 Ca 0.30 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.07 2kku h PHE 19 Cb 0.46 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.61 2kku h PHE 19 CO -0.32 0.28 0.00 1.19 -0.60 0.00 0.00 178.31 178.86 2kku n PHE 20 N -3.85 0.59 -0.09 -0.55 3.72 -0.65 -2.53 117.46 114.11 2kku n PHE 20 Ca -0.02 -0.33 -0.12 0.00 -0.05 0.00 0.00 57.45 56.94 2kku n PHE 20 Cb 0.37 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.86 2kku n PHE 20 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2kku n LYS 21 N 1.37 0.51 -0.00 -1.08 0.00 0.59 -4.79 118.16 114.75 2kku n LYS 21 Ca 0.19 0.43 0.05 0.00 0.00 0.00 0.00 58.31 58.98 2kku n LYS 21 Cb 0.57 -1.62 -0.08 0.00 0.00 0.00 0.00 35.03 33.91 2kku n LYS 21 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 2kku n LYS 22 N -4.51 0.40 -2.70 1.64 2.85 -1.02 -5.03 118.16 109.79 2kku n LYS 22 Ca -0.19 -0.09 -0.22 0.00 -1.05 0.00 0.00 58.31 56.77 2kku n LYS 22 Cb 0.47 -1.23 0.01 0.00 -0.65 0.00 0.00 35.03 33.64 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 1.92 -0.51 2.59 2.58 0.00 -1.05 -4.84 105.19 105.88 2kku n GLY 23 Ca -0.02 0.06 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 2kku n GLY 23 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kku n LYS 24 N -3.51 1.22 -0.49 1.61 2.85 -1.26 -2.83 118.16 115.75 2kku n LYS 24 Ca -0.18 -1.20 -0.06 0.00 -1.05 0.00 0.00 58.31 55.81 2kku n LYS 24 Cb 0.66 0.31 0.04 0.00 -0.65 0.00 0.00 35.03 35.39 2kku n LYS 24 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2kku n ASP 25 N -1.27 0.06 -3.56 -5.58 9.92 -0.79 -4.80 116.55 110.54 2kku n ASP 25 Ca -0.14 -1.12 -0.22 0.00 -0.53 0.00 0.00 54.79 52.77 2kku n ASP 25 Cb 0.84 -0.20 -0.15 0.00 -0.64 0.00 0.00 41.12 40.97 2kku n ASP 25 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2kku s VAL 26 N -1.42 -0.20 -0.42 2.53 1.01 0.02 -0.58 120.40 121.34 2kku s VAL 26 Ca 0.15 -0.11 -0.24 0.00 0.00 0.00 0.00 61.98 61.79 2kku s VAL 26 Cb -0.00 -0.60 0.02 0.00 0.00 0.00 0.00 36.38 35.80 2kku s VAL 26 CO 0.11 -0.22 0.83 0.12 0.00 0.00 0.00 175.10 175.94 2kku s PHE 27 N 2.23 3.02 0.17 5.22 5.36 -0.23 -3.06 117.98 130.69 2kku s PHE 27 Ca 0.04 0.39 -0.25 0.00 -0.96 0.00 0.00 56.93 56.15 2kku s PHE 27 Cb -0.16 -3.66 -0.08 0.00 -0.34 0.00 0.00 43.02 38.79 2kku s PHE 27 CO -0.10 -0.92 0.78 0.14 -1.46 0.00 0.00 175.22 173.66 2kku s VAL 28 N 3.36 4.36 -0.07 3.12 -7.23 -1.26 -1.22 120.40 121.46 2kku s VAL 28 Ca 0.33 1.70 -0.01 0.00 -1.81 0.00 0.00 61.98 62.19 2kku s VAL 28 Cb -0.12 -4.13 0.03 0.00 0.56 0.00 0.00 36.38 32.72 2kku s VAL 28 CO 0.21 0.51 -0.01 -0.75 -0.31 0.00 0.00 175.10 174.75 2kku s LYS 29 N -1.19 0.76 -0.55 4.82 2.47 0.16 -4.98 119.74 121.22 2kku s LYS 29 Ca 0.36 0.04 -0.07 0.00 -1.56 0.00 0.00 55.97 54.74 2kku s LYS 29 Cb -0.23 -1.04 -0.18 0.00 -1.46 0.00 0.00 37.83 34.92 2kku s LYS 29 CO 0.26 -0.28 3.05 -0.35 0.16 0.00 0.00 175.35 178.19 2kku n PRO 30 N 5.01 2.33 -1.67 4.03 -0.04 -1.26 -0.75 135.00 142.65 2kku n PRO 30 Ca -0.10 -1.31 -0.19 0.00 -0.04 0.00 0.00 63.50 61.87 2kku n PRO 30 Cb 0.50 -2.23 -0.07 0.00 -0.04 0.00 0.00 33.50 31.66 2kku n PRO 30 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kku n ALA 31 N 3.02 -0.34 -0.10 0.55 0.00 -1.24 -4.88 120.51 117.53 2kku n ALA 31 Ca 0.50 0.29 -0.02 0.00 0.00 0.00 0.00 53.44 54.21 2kku n ALA 31 Cb 0.57 -1.92 0.22 0.00 0.00 0.00 0.00 19.45 18.32 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 1.22 -3.93 0.00 2.02 -1.93 -3.42 112.91 106.87 2kku h THR 32 Ca -0.40 -0.78 -0.69 0.00 0.77 0.00 0.00 66.41 65.31 2kku h THR 32 Cb 1.25 0.71 -0.22 0.00 -1.74 0.00 0.00 68.15 68.15 2kku h THR 32 CO 0.57 0.29 -0.87 0.68 0.37 0.00 0.00 175.52 176.56 2kku s VAL 33 N -5.18 2.26 0.00 3.16 -7.23 -1.26 -4.99 120.40 107.16 2kku s VAL 33 Ca -0.09 -1.73 0.00 0.00 -1.81 0.00 0.00 61.98 58.34 2kku s VAL 33 Cb 0.16 -2.00 0.00 0.00 0.56 0.00 0.00 36.38 35.10 2kku s VAL 33 CO 0.79 0.11 0.00 1.87 -0.31 0.00 0.00 175.10 177.56 2kku n TRP 34 N 0.96 -1.39 -0.33 2.82 -0.00 -1.26 -4.95 117.44 113.29 2kku n TRP 34 Ca -0.18 0.00 0.01 0.00 -0.00 0.00 0.00 57.50 57.33 2kku n TRP 34 Cb 0.53 0.28 0.08 0.00 -0.00 0.00 0.00 31.31 32.20 2kku n TRP 34 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 177.69 177.47 2kku h LYS 35 N 0.00 -0.02 0.00 5.87 3.64 -1.97 -1.92 116.57 122.18 2kku h LYS 35 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2kku h LYS 35 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2kku h LYS 35 CO 0.00 -0.01 -0.77 0.39 -2.27 0.00 0.00 179.45 176.79 2kku n GLU 36 N -5.53 2.62 -2.09 1.90 1.02 -1.26 -4.98 120.64 112.32 2kku n GLU 36 Ca 0.11 -0.03 -0.43 0.00 -0.02 0.00 0.00 57.16 56.80 2kku n GLU 36 Cb 0.43 -1.08 -0.03 0.00 -0.02 0.00 0.00 31.44 30.74 2kku n GLU 36 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2kku s LEU 37 N -2.83 3.94 0.02 -4.62 1.98 -0.72 -5.00 118.68 111.44 2kku s LEU 37 Ca 0.02 1.70 -0.06 0.00 -2.89 0.00 0.00 54.13 52.90 2kku s LEU 37 Cb 0.08 -3.53 -0.01 0.00 0.66 0.00 0.00 46.19 43.39 2kku s LEU 37 CO 0.45 -1.23 0.10 -1.59 -1.89 0.00 0.00 176.35 172.20 2kku s LYS 38 N 4.62 0.52 -0.54 1.98 0.00 -1.26 -4.86 119.74 120.20 2kku s LYS 38 Ca 0.72 -0.58 -0.27 0.00 0.00 0.00 0.00 55.97 55.84 2kku s LYS 38 Cb -0.26 0.21 -0.01 0.00 0.00 0.00 0.00 37.83 37.76 2kku s LYS 38 CO 0.29 -0.12 1.75 -1.25 0.00 0.00 0.00 175.35 176.02 2kku s PRO 39 N -1.94 2.92 0.00 1.78 0.04 -1.26 -3.11 135.00 133.42 2kku s PRO 39 Ca -0.11 0.75 0.00 0.00 0.04 0.00 0.00 61.00 61.68 2kku s PRO 39 Cb -0.05 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.20 2kku s PRO 39 CO -0.01 -2.38 0.00 0.41 0.04 0.00 0.00 177.00 175.06 2kku n GLY 40 N 5.55 0.03 0.00 0.56 0.00 0.08 -4.87 105.19 106.54 2kku n GLY 40 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2kku n GLY 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2kku n MET 41 N 0.00 0.22 -4.33 1.61 2.81 -1.18 -4.85 117.12 111.40 2kku n MET 41 Ca 0.00 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.64 2kku n MET 41 Cb 0.00 0.00 -0.09 0.00 -0.71 0.00 0.00 33.22 32.42 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 -2.65 2.09 -0.31 0.03 -2.85 -0.50 -0.69 119.74 114.86 2kku s LYS 42 Ca 0.00 -1.77 -0.02 0.00 -1.00 0.00 0.00 55.97 53.18 2kku s LYS 42 Cb 0.00 -1.92 0.10 0.00 -2.06 0.00 0.00 37.83 33.95 2kku s LYS 42 CO 0.00 0.10 0.12 0.12 0.10 0.00 0.00 175.35 175.80 2kku s PHE 43 N -2.53 1.13 -0.24 1.78 2.19 -0.53 -1.56 117.98 118.22 2kku s PHE 43 Ca 0.35 -1.43 -0.25 0.00 0.33 0.00 0.00 56.93 55.94 2kku s PHE 43 Cb 0.01 -1.37 -0.01 0.00 -1.31 0.00 0.00 43.02 40.34 2kku s PHE 43 CO 0.20 -0.85 0.83 0.08 1.83 0.00 0.00 175.22 177.30 2kku s VAL 44 N 1.72 4.84 -0.70 3.12 1.01 -0.44 -0.32 120.40 129.63 2kku s VAL 44 Ca 0.10 1.57 -0.25 0.00 0.00 0.00 0.00 61.98 63.40 2kku s VAL 44 Cb -0.17 -4.12 0.05 0.00 0.00 0.00 0.00 36.38 32.14 2kku s VAL 44 CO -0.27 -0.07 1.12 -0.36 0.00 0.00 0.00 175.10 175.51 2kku s PHE 45 N 2.83 2.48 0.17 5.22 0.08 0.02 -2.47 117.98 126.31 2kku s PHE 45 Ca 0.35 -0.29 -0.32 0.00 0.12 0.00 0.00 56.93 56.79 2kku s PHE 45 Cb -0.15 -4.45 -0.10 0.00 -0.57 0.00 0.00 43.02 37.74 2kku s PHE 45 CO 0.07 -1.85 1.57 -0.47 -0.10 0.00 0.00 175.22 174.44 2kku s TYR 46 N 4.88 3.05 -0.44 0.36 5.04 -0.02 -1.22 117.35 128.99 2kku s TYR 46 Ca 0.29 0.62 -0.29 0.00 -2.44 0.00 0.00 57.07 55.25 2kku s TYR 46 Cb -0.12 -3.94 0.01 0.00 0.35 0.00 0.00 41.96 38.26 2kku s TYR 46 CO 0.13 -3.45 1.43 -1.14 -1.34 0.00 0.00 175.55 171.18 2kku s GLN 47 N 1.08 3.49 -0.92 4.97 0.74 -1.26 -3.95 119.66 123.81 2kku s GLN 47 Ca 0.70 0.85 -0.25 0.00 0.05 0.00 0.00 55.36 56.71 2kku s GLN 47 Cb -0.44 -4.06 -0.11 0.00 1.10 0.00 0.00 33.01 29.50 2kku s GLN 47 CO 0.32 -1.67 2.14 0.45 -0.55 0.00 0.00 175.29 175.97 2kku s SER 48 N 4.19 4.45 0.00 6.67 0.15 -0.89 -4.46 113.70 123.82 2kku s SER 48 Ca 0.60 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.68 2kku s SER 48 Cb -0.13 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 2kku s SER 48 CO 0.31 -3.47 0.00 1.57 1.20 0.00 0.00 173.24 172.85 2kku n HIS 49 N 16.50 0.00 0.00 3.44 -0.00 -1.26 -4.97 115.22 128.93 2kku n HIS 49 Ca 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.15 2kku n HIS 49 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.44 2kku n HIS 49 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 2kku n GLU 50 N 0.00 0.00 -0.07 1.57 1.02 -1.26 -5.05 120.64 116.85 2kku n GLU 50 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 2kku n GLU 50 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 2kku n GLU 50 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2kku n ASP 51 N -1.11 1.83 -4.73 1.62 9.92 -1.26 -4.97 116.55 117.86 2kku n ASP 51 Ca 0.00 0.30 -0.42 0.00 -0.53 0.00 0.00 54.79 54.15 2kku n ASP 51 Cb 0.00 -0.69 -0.03 0.00 -0.64 0.00 0.00 41.12 39.77 2kku n ASP 51 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2kku s THR 52 N -2.79 2.87 0.00 -3.53 2.01 -1.26 -4.47 115.64 108.47 2kku s THR 52 Ca -0.25 0.68 0.00 0.00 0.31 0.00 0.00 61.69 62.43 2kku s THR 52 Cb 0.03 -3.44 0.00 0.00 0.01 0.00 0.00 72.50 69.11 2kku s THR 52 CO 0.37 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 175.00 2kku n GLY 53 N 2.83 5.53 3.43 4.40 0.00 -0.59 -4.48 105.19 116.31 2kku n GLY 53 Ca 0.09 -1.66 -0.13 0.00 0.00 0.00 0.00 46.02 44.32 2kku n GLY 53 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2kku n PHE 54 N 0.00 -2.49 -0.19 1.61 3.01 -1.25 -3.76 117.46 114.39 2kku n PHE 54 Ca 0.00 0.95 -0.07 0.00 1.01 0.00 0.00 57.45 59.34 2kku n PHE 54 Cb 0.00 -3.48 0.09 0.00 -0.01 0.00 0.00 39.48 36.08 2kku n PHE 54 CO 0.00 0.00 0.00 -0.24 1.01 0.00 0.00 176.76 177.53 2kku h VAL 55 N -0.06 1.26 -1.36 -4.37 3.04 -1.44 -3.41 116.25 109.90 2kku h VAL 55 Ca -0.33 -1.03 0.00 0.00 -1.01 0.00 0.00 66.70 64.33 2kku h VAL 55 Cb 1.21 0.72 0.00 0.00 -2.01 0.00 0.00 31.29 31.20 2kku h VAL 55 CO 0.35 0.38 0.00 0.61 -1.01 0.00 0.00 177.57 177.89 2kku n GLY 56 N -0.60 1.77 3.43 3.17 0.00 -1.08 -1.17 105.19 110.71 2kku n GLY 56 Ca 0.04 -0.87 -0.16 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.00 1.87 0.05 1.61 -1.05 -0.88 -0.80 118.70 118.50 2kku s GLU 57 Ca 0.00 -1.83 -0.03 0.00 -0.15 0.00 0.00 54.97 52.96 2kku s GLU 57 Cb 0.00 0.41 0.01 0.00 -0.44 0.00 0.00 34.13 34.11 2kku s GLU 57 CO 0.00 -0.75 0.16 0.00 0.95 0.00 0.00 175.26 175.61 2kku n ALA 58 N -0.58 -0.38 -3.82 -0.84 0.00 0.56 0.00 120.51 115.46 2kku n ALA 58 Ca 0.03 -0.20 -0.27 0.00 0.00 0.00 0.00 53.44 53.00 2kku n ALA 58 Cb 0.62 0.14 -0.17 0.00 0.00 0.00 0.00 19.45 20.04 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 -2.01 1.66 0.09 0.00 1.81 -0.14 -1.45 118.95 118.91 2kku s ARG 59 Ca 0.03 -0.33 -0.30 0.00 -1.72 0.00 0.00 55.73 53.41 2kku s ARG 59 Cb -0.01 -1.61 -0.06 0.00 -0.45 0.00 0.00 34.95 32.82 2kku s ARG 59 CO 0.02 -0.20 1.18 0.42 -0.68 0.00 0.00 175.30 176.04 2kku s ILE 60 N 1.44 3.98 0.00 1.52 1.01 0.13 -1.72 121.20 127.56 2kku s ILE 60 Ca 0.00 1.48 0.00 0.00 0.00 0.00 0.00 60.65 62.13 2kku s ILE 60 Cb -0.13 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.39 2kku s ILE 60 CO -0.06 0.15 0.00 0.29 0.00 0.00 0.00 174.94 175.32 2kku n LYS 61 N 3.55 0.11 -0.30 2.79 4.76 0.89 -0.75 118.16 129.21 2kku n LYS 61 Ca 0.07 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.37 2kku n LYS 61 Cb 0.46 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.62 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 -3.39 1.97 0.63 -1.26 -2.58 116.66 112.02 2kku n ARG 62 Ca 0.00 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.50 2kku n ARG 62 Cb 0.00 -0.36 -0.09 0.00 0.45 0.00 0.00 32.46 32.46 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 1.44 5.19 -0.44 5.15 -7.23 -1.26 -1.95 120.40 121.30 2kku s VAL 63 Ca 0.29 -0.62 -0.22 0.00 -1.81 0.00 0.00 61.98 59.61 2kku s VAL 63 Cb -0.36 -4.01 0.02 0.00 0.56 0.00 0.00 36.38 32.60 2kku s VAL 63 CO 0.16 -0.41 0.73 -0.69 -0.31 0.00 0.00 175.10 174.58 2kku s VAL 64 N 1.85 4.72 -0.29 1.32 1.01 -0.47 -4.86 120.40 123.68 2kku s VAL 64 Ca 0.07 0.33 -0.22 0.00 0.00 0.00 0.00 61.98 62.17 2kku s VAL 64 Cb -0.19 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 31.91 2kku s VAL 64 CO 0.11 -0.66 0.72 -0.76 0.00 0.00 0.00 175.10 174.50 2kku s LEU 65 N 3.11 4.09 -0.19 3.92 1.43 -1.26 -1.12 118.68 128.66 2kku s LEU 65 Ca 0.27 0.67 -0.14 0.00 -1.03 0.00 0.00 54.13 53.90 2kku s LEU 65 Cb -0.13 -2.98 0.06 0.00 0.03 0.00 0.00 46.19 43.17 2kku s LEU 65 CO 0.21 -0.51 0.48 -0.55 0.23 0.00 0.00 176.35 176.21 2kku s SER 66 N 1.55 -0.57 0.42 2.29 0.15 -0.59 -5.03 113.70 111.92 2kku s SER 66 Ca 0.30 1.02 0.29 0.00 0.70 0.00 0.00 55.95 58.26 2kku s SER 66 Cb -0.15 0.96 1.20 0.00 -1.71 0.00 0.00 66.02 66.33 2kku s SER 66 CO 0.11 -0.19 1.86 -0.33 1.20 0.00 0.00 173.24 175.89 2kku h GLU 67 N 6.26 0.00 -5.40 5.44 5.08 -1.76 -1.73 114.58 122.47 2kku h GLU 67 Ca -0.31 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.43 2kku h GLU 67 Cb 1.19 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.31 2kku h GLU 67 CO 0.23 0.00 0.04 -0.80 -1.00 0.00 0.00 179.01 177.48 2kku s ASN 68 N -5.02 6.45 0.05 1.42 0.01 -1.26 -4.52 114.94 112.07 2kku s ASN 68 Ca 0.03 0.46 0.15 0.00 -0.71 0.00 0.00 52.86 52.78 2kku s ASN 68 Cb 0.09 -2.30 0.65 0.00 0.41 0.00 0.00 41.25 40.10 2kku s ASN 68 CO 0.47 -0.37 1.48 -0.81 -1.51 0.00 0.00 177.10 176.36 2kku n PRO 69 N 5.67 0.03 0.09 -0.60 -0.04 -1.26 -3.09 135.00 135.81 2kku n PRO 69 Ca -0.03 0.30 -0.03 0.00 -0.04 0.00 0.00 63.50 63.71 2kku n PRO 69 Cb 0.49 -1.57 -0.06 0.00 -0.04 0.00 0.00 33.50 32.33 2kku n PRO 69 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 2kku h MET 70 N 0.00 0.00 0.00 0.54 2.86 -1.95 -3.21 114.93 113.17 2kku h MET 70 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2kku h MET 70 Cb 0.25 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 2kku h MET 70 CO 0.00 0.71 -0.12 1.96 1.06 0.00 0.00 176.91 180.51 2kku h GLN 71 N 0.00 0.00 0.00 1.72 4.20 -1.95 -2.12 115.11 116.96 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 1.61 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.37 2kku h GLN 71 CO 0.09 0.12 -0.37 0.74 -0.67 0.00 0.00 178.83 178.75 2kku h PHE 72 N 0.00 0.00 0.18 2.96 0.04 -1.74 -1.80 116.94 116.59 2kku h PHE 72 Ca -0.00 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.46 2kku h PHE 72 Cb 0.41 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.57 2kku h PHE 72 CO 0.00 0.37 -1.41 0.74 -0.60 0.00 0.00 178.31 177.41 2kku h PHE 73 N 0.00 0.70 0.00 -0.55 0.04 -1.53 -0.74 116.94 114.86 2kku h PHE 73 Ca -0.00 -0.51 -0.14 0.00 2.80 0.00 0.00 57.97 60.12 2kku h PHE 73 Cb 0.99 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 39.09 2kku h PHE 73 CO 0.00 1.43 -0.66 1.05 -0.60 0.00 0.00 178.31 179.53 2kku h GLU 74 N 0.11 0.00 0.07 1.51 4.11 -1.47 -2.26 114.58 116.64 2kku h GLU 74 Ca -0.21 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.11 2kku h GLU 74 Cb 2.07 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.33 2kku h GLU 74 CO 0.23 0.66 -0.49 1.15 0.07 0.00 0.00 179.01 180.62 2kku h THR 75 N 0.00 1.59 0.00 -1.06 2.02 -1.40 -3.45 112.91 110.61 2kku h THR 75 Ca -0.01 -2.43 0.00 0.00 0.77 0.00 0.00 66.41 64.74 2kku h THR 75 Cb 1.23 3.23 0.00 0.00 -1.74 0.00 0.00 68.15 70.87 2kku h THR 75 CO 0.09 0.65 -0.05 0.49 0.37 0.00 0.00 175.52 177.07 2kku n PHE 76 N -4.35 0.00 0.00 3.16 3.72 -0.35 -5.04 117.46 114.60 2kku n PHE 76 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 2kku n PHE 76 Cb 0.66 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 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 3.13 2.08 0.25 1.37 0.00 -0.81 -4.10 105.19 107.11 2kku n GLY 77 Ca -0.01 0.13 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 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 0.68 0.26 1.61 3.58 -1.91 -2.73 116.42 117.90 2kku h ASP 78 Ca 0.00 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.37 2kku h ASP 78 Cb 0.00 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 2kku h ASP 78 CO 0.00 0.48 -0.30 0.03 -2.88 0.00 0.00 179.24 176.57 2kku h ARG 79 N 0.81 0.07 -6.62 0.28 2.47 -1.90 -3.43 114.38 106.06 2kku h ARG 79 Ca 0.23 -0.02 -0.53 0.00 -1.26 0.00 0.00 59.98 58.40 2kku h ARG 79 Cb -0.05 -0.01 0.04 0.00 -1.65 0.00 0.00 29.97 28.30 2kku h ARG 79 CO -0.07 0.37 0.80 0.08 0.56 0.00 0.00 179.97 181.72 2kku s VAL 80 N -4.36 2.84 0.52 2.04 1.01 -1.03 -0.80 120.40 120.62 2kku s VAL 80 Ca -0.04 0.62 0.36 0.00 0.00 0.00 0.00 61.98 62.93 2kku s VAL 80 Cb 0.15 -3.40 0.39 0.00 0.00 0.00 0.00 36.38 33.52 2kku s VAL 80 CO 0.73 0.06 2.23 2.19 0.00 0.00 0.00 175.10 180.31 2kku h PHE 81 N 6.38 0.00 -3.01 5.22 -0.00 -1.81 -3.42 116.94 120.29 2kku h PHE 81 Ca -0.43 0.00 -0.42 0.00 -0.00 0.00 0.00 57.97 57.12 2kku h PHE 81 Cb 1.21 0.00 -0.14 0.00 -0.00 0.00 0.00 35.95 37.02 2kku h PHE 81 CO 0.64 0.03 -0.72 -0.48 -0.00 0.00 0.00 178.31 177.78 2kku s LEU 82 N -6.72 2.52 0.65 2.10 2.34 -1.26 -4.84 118.68 113.46 2kku s LEU 82 Ca -0.04 -1.05 0.06 0.00 0.06 0.00 0.00 54.13 53.16 2kku s LEU 82 Cb 0.13 -0.56 0.11 0.00 -0.56 0.00 0.00 46.19 45.31 2kku s LEU 82 CO 0.50 -0.25 0.89 0.28 -1.06 0.00 0.00 176.35 176.71 2kku s THR 83 N -3.10 2.06 0.40 5.48 -1.32 -1.26 -4.93 115.64 112.96 2kku s THR 83 Ca 0.22 -0.85 0.09 0.00 -1.21 0.00 0.00 61.69 59.94 2kku s THR 83 Cb 0.01 -2.21 0.19 0.00 -1.51 0.00 0.00 72.50 68.98 2kku s THR 83 CO 0.06 0.00 1.96 0.50 -2.21 0.00 0.00 174.62 174.93 2kku h LYS 84 N -0.14 0.32 -0.25 7.08 3.64 -1.97 -0.76 116.57 124.47 2kku h LYS 84 Ca -0.31 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 58.97 2kku h LYS 84 Cb 1.28 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 2kku h LYS 84 CO 0.39 0.36 -0.01 -0.44 -2.27 0.00 0.00 179.45 177.48 2kku h ASP 85 N 0.31 0.45 -0.50 4.20 5.19 -2.00 -1.33 116.42 122.74 2kku h ASP 85 Ca 0.07 -0.32 -0.01 0.00 -0.62 0.00 0.00 57.03 56.15 2kku h ASP 85 Cb 0.24 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 39.61 2kku h ASP 85 CO 0.01 0.66 0.29 -0.33 -3.12 0.00 0.00 179.24 176.75 2kku h GLU 86 N 0.22 0.71 0.22 3.56 3.07 -1.84 -2.15 114.58 118.37 2kku h GLU 86 Ca 0.07 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 2kku h GLU 86 Cb 0.44 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 2kku h GLU 86 CO 0.02 0.52 -0.11 1.25 -1.40 0.00 0.00 179.01 179.29 2kku h LEU 87 N 0.72 -0.25 -0.53 1.33 5.85 -0.88 -1.66 115.31 119.89 2kku h LEU 87 Ca 0.19 -0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.65 2kku h LEU 87 Cb 0.01 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2kku h LEU 87 CO -0.03 -0.00 -0.10 0.07 -0.34 0.00 0.00 178.44 178.04 2kku h LYS 88 N -0.50 1.01 -0.15 1.25 5.09 -1.15 -1.02 116.57 121.09 2kku h LYS 88 Ca -0.03 -0.37 -0.11 0.00 0.09 0.00 0.00 60.65 60.23 2kku h LYS 88 Cb 0.38 -0.06 -0.01 0.00 0.10 0.00 0.00 32.23 32.63 2kku h LYS 88 CO 0.05 1.05 -0.38 1.05 -2.09 0.00 0.00 179.45 179.13 2kku h GLU 89 N 0.88 0.33 -0.14 0.07 4.11 -1.48 -2.21 114.58 116.15 2kku h GLU 89 Ca 0.14 -0.15 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 2kku h GLU 89 Cb 0.66 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2kku h GLU 89 CO 0.05 0.67 0.05 -0.92 0.07 0.00 0.00 179.01 178.92 2kku h TYR 90 N 0.28 0.21 -0.20 2.06 3.20 -0.81 0.11 116.97 121.83 2kku h TYR 90 Ca 0.03 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 2kku h TYR 90 Cb 0.80 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 2kku h TYR 90 CO 0.02 0.31 -0.18 0.52 -1.64 0.00 0.00 178.16 177.20 2kku h MET 91 N 0.05 0.33 -0.14 1.82 2.86 -1.13 -0.17 114.93 118.56 2kku h MET 91 Ca 0.04 -0.10 -0.15 0.00 -2.06 0.00 0.00 59.70 57.43 2kku h MET 91 Cb 0.20 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 2kku h MET 91 CO -0.00 0.51 -0.57 0.87 1.06 0.00 0.00 176.91 178.78 2kku h LYS 92 N 0.31 0.43 -0.28 1.72 1.79 -1.17 -2.79 116.57 116.59 2kku h LYS 92 Ca 0.06 -0.28 -0.14 0.00 -2.18 0.00 0.00 60.65 58.11 2kku h LYS 92 Cb 0.49 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.18 2kku h LYS 92 CO 0.03 0.88 -0.36 0.77 -1.08 0.00 0.00 179.45 179.69 2kku h SER 93 N 0.33 0.80 1.08 0.86 0.02 -0.09 -2.14 113.55 114.41 2kku h SER 93 Ca 0.00 -0.50 -0.03 0.00 -0.84 0.00 0.00 61.79 60.42 2kku h SER 93 Cb 1.09 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.40 2kku h SER 93 CO 0.10 1.14 -0.15 1.56 -1.14 0.00 0.00 176.83 178.33 2kku h GLN 94 N 0.48 0.00 0.10 3.45 1.08 -1.07 -1.42 115.11 117.72 2kku h GLN 94 Ca 0.03 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.89 2kku h GLN 94 Cb 0.95 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.36 2kku h GLN 94 CO 0.09 0.15 -1.86 1.05 -0.95 0.00 0.00 178.83 177.31 2kku h GLU 95 N 0.00 0.20 0.09 1.46 4.11 -1.50 -2.80 114.58 116.14 2kku h GLU 95 Ca -0.00 -0.35 -0.27 0.00 0.07 0.00 0.00 59.36 58.82 2kku h GLU 95 Cb 0.73 0.13 0.03 0.00 0.50 0.00 0.00 28.75 30.14 2kku h GLU 95 CO 0.02 1.02 -1.09 0.07 0.07 0.00 0.00 179.01 179.10 2kku h ARG 96 N 0.06 0.59 0.00 1.06 0.11 -1.30 -0.87 114.38 114.03 2kku h ARG 96 Ca -0.36 -0.75 -0.10 0.00 0.10 0.00 0.00 59.98 58.87 2kku h ARG 96 Cb 2.03 0.24 -0.02 0.00 1.11 0.00 0.00 29.97 33.34 2kku h ARG 96 CO 0.10 1.33 -0.68 -1.49 0.10 0.00 0.00 179.97 179.32 2kku h TRP 97 N 0.19 0.00 0.00 4.08 -0.00 -1.47 -3.39 115.95 115.36 2kku h TRP 97 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.73 2kku h TRP 97 Cb 1.78 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.94 2kku h TRP 97 CO 0.13 0.42 0.00 0.41 -0.00 0.00 0.00 178.44 179.40 2kku n GLY 98 N 1.24 -0.03 0.75 1.49 0.00 -1.06 -5.05 105.19 102.55 2kku n GLY 98 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kku n GLY 98 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kku n ARG 99 N -0.92 0.00 -3.61 1.61 0.63 -0.42 -5.04 116.66 108.92 2kku n ARG 99 Ca 0.00 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.87 2kku n ARG 99 Cb 0.00 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 32.89 2kku n ARG 99 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2kku s ARG 100 N -2.00 0.91 -1.08 -0.14 3.52 -0.69 -4.70 118.95 114.77 2kku s ARG 100 Ca 0.00 -0.42 -0.24 0.00 -0.13 0.00 0.00 55.73 54.94 2kku s ARG 100 Cb 0.00 0.36 -0.08 0.00 -1.56 0.00 0.00 34.95 33.67 2kku s ARG 100 CO 0.00 -0.41 1.96 0.50 -0.81 0.00 0.00 175.30 176.54 2kku s ARG 101 N -3.10 2.42 -0.85 5.12 3.52 -1.26 -4.76 118.95 120.04 2kku s ARG 101 Ca 0.09 -0.80 -0.24 0.00 -0.13 0.00 0.00 55.73 54.65 2kku s ARG 101 Cb -0.01 -5.16 0.05 0.00 -1.56 0.00 0.00 34.95 28.28 2kku s ARG 101 CO -0.04 -3.88 1.28 -2.00 -0.81 0.00 0.00 175.30 169.85 2kku s GLU 102 N 6.82 3.37 0.00 5.12 -6.30 -1.26 -4.83 118.70 121.62 2kku s GLU 102 Ca 0.70 -0.82 -0.00 0.00 -2.50 0.00 0.00 54.97 52.35 2kku s GLU 102 Cb -0.03 -4.71 0.00 0.00 0.00 0.00 0.00 34.13 29.39 2kku s GLU 102 CO 0.09 -2.08 0.02 0.45 0.02 0.00 0.00 175.26 173.75 2kku n SER 103 N 8.65 -0.04 0.13 -1.70 2.88 -1.26 -5.10 113.62 117.18 2kku n SER 103 Ca 0.16 -1.02 0.00 0.00 -1.33 0.00 0.00 58.87 56.67 2kku n SER 103 Cb 0.49 0.06 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 2kku n SER 103 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2kku n LYS 104 N -0.01 0.00 -3.36 -1.46 0.00 -1.26 -5.09 118.16 106.98 2kku n LYS 104 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 58.31 57.92 2kku n LYS 104 Cb 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 34.97 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 -2.00 4.16 0.83 1.64 2.20 -1.26 -5.07 119.74 120.24 2kku s LYS 105 Ca 0.00 0.23 -0.12 0.00 -0.36 0.00 0.00 55.97 55.72 2kku s LYS 105 Cb 0.00 -3.55 0.10 0.00 -1.51 0.00 0.00 37.83 32.86 2kku s LYS 105 CO 0.00 -0.09 1.17 -1.59 -0.36 0.00 0.00 175.35 174.49 2kku s LYS 106 N 1.45 1.56 0.09 4.03 0.00 -1.26 -5.04 119.74 120.58 2kku s LYS 106 Ca 0.20 1.62 0.02 0.00 0.00 0.00 0.00 55.97 57.81 2kku s LYS 106 Cb -0.15 -1.78 -0.04 0.00 0.00 0.00 0.00 37.83 35.86 2kku s LYS 106 CO 0.08 -2.24 0.20 0.21 0.00 0.00 0.00 175.35 173.60 2kku s LYS 107 N -4.35 3.29 -0.39 1.78 2.47 -1.26 -5.06 119.74 116.22 2kku s LYS 107 Ca 0.70 -0.56 -0.29 0.00 -1.56 0.00 0.00 55.97 54.26 2kku s LYS 107 Cb -0.25 -2.93 0.00 0.00 -1.46 0.00 0.00 37.83 33.19 2kku s LYS 107 CO 0.53 0.57 1.49 -1.17 0.16 0.00 0.00 175.35 176.93 2kku s LEU 108 N -2.70 3.58 0.41 5.43 1.98 -1.26 -4.34 118.68 121.78 2kku s LEU 108 Ca 0.34 0.96 -0.04 0.00 -2.89 0.00 0.00 54.13 52.49 2kku s LEU 108 Cb -0.12 -3.54 -0.04 0.00 0.66 0.00 0.00 46.19 43.15 2kku s LEU 108 CO 0.27 -1.47 0.68 0.26 -1.89 0.00 0.00 176.35 174.20 2kku s TRP 109 N 5.69 3.52 -0.02 5.38 0.52 -0.65 -3.63 118.94 129.75 2kku s TRP 109 Ca 0.65 0.69 -0.00 0.00 0.02 0.00 0.00 56.10 57.46 2kku s TRP 109 Cb -0.16 -2.18 0.03 0.00 -1.15 0.00 0.00 33.47 30.01 2kku s TRP 109 CO 0.33 -0.08 0.03 0.00 0.02 0.00 0.00 176.95 177.24 2kku s MET 110 N -4.33 0.03 -0.52 4.98 0.23 0.07 -1.55 119.30 118.22 2kku s MET 110 Ca 0.45 0.18 -0.15 0.00 -1.03 0.00 0.00 55.69 55.14 2kku s MET 110 Cb -0.10 -0.32 0.12 0.00 -1.53 0.00 0.00 34.83 32.99 2kku s MET 110 CO 0.38 -0.18 0.46 0.00 -2.03 0.00 0.00 175.02 173.66 2kku s ALA 111 N 1.17 3.60 -0.28 3.16 0.00 -0.28 -0.67 121.76 128.46 2kku s ALA 111 Ca -0.08 -2.46 -0.28 0.00 0.00 0.00 0.00 51.96 49.14 2kku s ALA 111 Cb -0.13 -3.18 0.01 0.00 0.00 0.00 0.00 23.12 19.82 2kku s ALA 111 CO -0.03 -1.95 1.02 0.42 0.00 0.00 0.00 175.76 175.22 2kku s ILE 112 N 1.58 4.62 -0.48 0.00 1.01 -0.36 -1.37 121.20 126.20 2kku s ILE 112 Ca 0.03 1.78 -0.29 0.00 0.00 0.00 0.00 60.65 62.18 2kku s ILE 112 Cb -0.29 -4.33 0.03 0.00 0.01 0.00 0.00 42.46 37.88 2kku s ILE 112 CO 0.03 -0.33 1.11 -0.70 0.00 0.00 0.00 174.94 175.06 2kku s GLU 113 N 3.37 3.70 -0.06 2.79 2.12 -0.82 -1.07 118.70 128.73 2kku s GLU 113 Ca 0.43 0.51 -0.21 0.00 0.36 0.00 0.00 54.97 56.06 2kku s GLU 113 Cb -0.14 -3.91 -0.04 0.00 0.26 0.00 0.00 34.13 30.30 2kku s GLU 113 CO 0.11 -1.36 0.61 -0.51 -0.54 0.00 0.00 175.26 173.57 2kku s LEU 114 N 4.37 4.34 0.26 2.70 2.01 0.25 -0.08 118.68 132.53 2kku s LEU 114 Ca 0.47 1.08 0.02 0.00 0.01 0.00 0.00 54.13 55.71 2kku s LEU 114 Cb -0.07 -2.93 -0.04 0.00 0.01 0.00 0.00 46.19 43.16 2kku s LEU 114 CO 0.31 -0.01 0.17 -1.83 1.01 0.00 0.00 176.35 176.00 2kku s GLU 115 N 0.43 1.43 -1.46 1.70 -1.05 -0.70 -1.88 118.70 117.17 2kku s GLU 115 Ca 0.32 -1.79 -0.05 0.00 -0.15 0.00 0.00 54.97 53.30 2kku s GLU 115 Cb -0.17 0.20 0.02 0.00 -0.44 0.00 0.00 34.13 33.74 2kku s GLU 115 CO 0.16 -0.47 0.49 -3.47 0.95 0.00 0.00 175.26 172.92 2kku n ASP 116 N -0.74 -5.25 -4.58 0.83 2.03 -1.13 -0.96 116.55 106.75 2kku n ASP 116 Ca 0.03 -0.26 -0.41 0.00 0.52 0.00 0.00 54.79 54.67 2kku n ASP 116 Cb 0.65 -4.28 -0.03 0.00 -0.72 0.00 0.00 41.12 36.74 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 -3.06 3.31 0.58 5.18 1.01 -1.23 -4.44 120.40 121.74 2kku s VAL 117 Ca 0.29 0.28 -0.07 0.00 0.00 0.00 0.00 61.98 62.48 2kku s VAL 117 Cb -0.14 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 2kku s VAL 117 CO 0.36 -0.38 0.91 -0.75 0.00 0.00 0.00 175.10 175.24 2kku s LYS 118 N 6.37 3.17 -0.13 2.72 2.47 0.10 -4.88 119.74 129.56 2kku s LYS 118 Ca 0.84 0.21 0.02 0.00 -1.56 0.00 0.00 55.97 55.47 2kku s LYS 118 Cb -0.22 -2.24 0.01 0.00 -1.46 0.00 0.00 37.83 33.92 2kku s LYS 118 CO 0.31 -0.59 -0.18 0.15 0.16 0.00 0.00 175.35 175.19 2kku s LYS 119 N -4.99 2.57 -0.65 4.03 -0.14 -1.26 -2.07 119.74 117.23 2kku s LYS 119 Ca 0.53 -0.69 -0.28 0.00 -1.36 0.00 0.00 55.97 54.18 2kku s LYS 119 Cb -0.11 -2.16 0.03 0.00 -1.68 0.00 0.00 37.83 33.91 2kku s LYS 119 CO 0.47 -0.08 1.25 0.71 -0.76 0.00 0.00 175.35 176.94 2kku s TYR 120 N 1.02 2.44 0.39 3.18 2.02 -0.32 -4.87 117.35 121.20 2kku s TYR 120 Ca -0.04 0.22 0.18 0.00 -0.37 0.00 0.00 57.07 57.06 2kku s TYR 120 Cb -0.15 -4.55 1.02 0.00 -0.40 0.00 0.00 41.96 37.87 2kku s TYR 120 CO -0.04 -1.83 1.94 -0.44 -1.57 0.00 0.00 175.55 173.62 2kku h ASP 121 N 9.90 0.00 -3.29 2.29 5.19 -1.93 -3.44 116.42 125.14 2kku h ASP 121 Ca -0.26 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.58 2kku h ASP 121 Cb 1.06 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.53 2kku h ASP 121 CO 1.23 0.24 0.00 -1.59 -3.12 0.00 0.00 179.24 176.00 2kku s LYS 122 N -4.29 4.27 -0.89 3.56 -2.85 -1.26 -5.03 119.74 113.25 2kku s LYS 122 Ca -0.03 0.81 -0.24 0.00 -1.00 0.00 0.00 55.97 55.51 2kku s LYS 122 Cb 0.14 -3.25 -0.00 0.00 -2.06 0.00 0.00 37.83 32.66 2kku s LYS 122 CO 0.67 0.62 1.69 -1.25 0.10 0.00 0.00 175.35 177.19 2kku s PRO 123 N -1.09 2.99 0.20 1.78 0.04 -1.26 -4.98 135.00 132.67 2kku s PRO 123 Ca 0.30 -0.47 -0.30 0.00 0.04 0.00 0.00 61.00 60.58 2kku s PRO 123 Cb -0.20 -5.00 -0.08 0.00 0.04 0.00 0.00 34.50 29.26 2kku s PRO 123 CO 0.20 -2.77 0.93 0.42 0.04 0.00 0.00 177.00 175.83 2kku s ILE 124 N 7.73 4.22 0.01 0.56 1.01 -1.25 -4.94 121.20 128.55 2kku s ILE 124 Ca 0.58 2.05 -0.15 0.00 0.00 0.00 0.00 60.65 63.13 2kku s ILE 124 Cb -0.05 -4.31 -0.06 0.00 0.01 0.00 0.00 42.46 38.05 2kku s ILE 124 CO 0.00 0.45 0.43 -0.54 0.00 0.00 0.00 174.94 175.28 2kku s LYS 125 N -0.83 3.94 0.09 2.79 3.01 -1.26 -1.54 119.74 125.94 2kku s LYS 125 Ca 0.42 0.44 -0.31 0.00 -1.01 0.00 0.00 55.97 55.52 2kku s LYS 125 Cb -0.25 -3.21 -0.10 0.00 -1.01 0.00 0.00 37.83 33.26 2kku s LYS 125 CO 0.31 0.68 1.87 -1.25 0.51 0.00 0.00 175.35 177.47 2kku s PRO 126 N -1.12 4.14 0.42 -1.68 0.04 -1.26 -4.89 135.00 130.65 2kku s PRO 126 Ca 0.25 2.59 0.11 0.00 0.04 0.00 0.00 61.00 63.98 2kku s PRO 126 Cb -0.17 -3.79 0.94 0.00 0.04 0.00 0.00 34.50 31.52 2kku s PRO 126 CO 0.14 -0.88 2.01 -0.22 0.04 0.00 0.00 177.00 178.09 2kku h LYS 127 N 9.27 0.48 -3.66 4.56 3.11 -2.00 -3.44 116.57 124.89 2kku h LYS 127 Ca -0.47 -0.03 -0.07 0.00 -2.81 0.00 0.00 60.65 57.27 2kku h LYS 127 Cb 1.22 -0.11 -0.12 0.00 -1.00 0.00 0.00 32.23 32.23 2kku h LYS 127 CO 0.95 0.32 -0.19 -0.98 -2.81 0.00 0.00 179.45 176.73 2kku s ARG 128 N -5.45 1.22 0.05 1.90 1.70 -1.26 -5.14 118.95 111.97 2kku s ARG 128 Ca -0.08 -1.04 -0.31 0.00 -0.47 0.00 0.00 55.73 53.83 2kku s ARG 128 Cb 0.19 0.43 -0.07 0.00 -0.57 0.00 0.00 34.95 34.93 2kku s ARG 128 CO 0.74 -0.48 1.47 -1.17 -1.08 0.00 0.00 175.30 174.79 2kku s LEU 129 N -2.93 4.34 -0.45 -1.89 1.98 -1.26 -5.00 118.68 113.47 2kku s LEU 129 Ca 0.13 2.28 -0.06 0.00 -2.89 0.00 0.00 54.13 53.59 2kku s LEU 129 Cb 0.02 -3.57 0.12 0.00 0.66 0.00 0.00 46.19 43.42 2kku s LEU 129 CO -0.02 -0.75 0.29 -0.69 -1.89 0.00 0.00 176.35 173.30 2kku s VAL 130 N 2.09 3.83 0.31 1.68 1.01 -1.26 -4.87 120.40 123.18 2kku s VAL 130 Ca 0.67 -1.93 -0.05 0.00 0.00 0.00 0.00 61.98 60.66 2kku s VAL 130 Cb -0.35 -3.56 0.07 0.00 0.00 0.00 0.00 36.38 32.54 2kku s VAL 130 CO 0.29 -0.75 0.36 -0.81 0.00 0.00 0.00 175.10 174.20 2kku n PRO 131 N 4.74 -0.79 -0.04 2.72 -0.04 -1.26 -4.57 135.00 135.75 2kku n PRO 131 Ca -0.05 -0.57 0.02 0.00 -0.04 0.00 0.00 63.50 62.86 2kku n PRO 131 Cb 0.41 -0.42 0.35 0.00 -0.04 0.00 0.00 33.50 33.80 2kku n PRO 131 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2kku h VAL 132 N -1.44 1.15 0.00 0.52 2.07 -2.00 -0.34 116.25 116.21 2kku h VAL 132 Ca -0.12 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 2kku h VAL 132 Cb 0.35 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2kku h VAL 132 CO 0.09 0.17 -0.06 1.23 0.02 0.00 0.00 177.57 179.01 2kku h GLY 133 N 0.72 0.00 -0.05 2.17 0.00 -1.98 -3.46 103.07 100.47 2kku h GLY 133 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2kku h GLY 133 CO -0.02 0.00 -0.02 0.61 0.00 0.00 0.00 176.54 177.11 2kku n GLY 134 N 0.09 -2.41 3.51 4.60 0.00 -0.14 -4.89 105.19 105.95 2kku n GLY 134 Ca 0.01 -1.46 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 2kku n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kku s GLN 135 N -2.69 1.86 -0.24 1.61 -1.52 -0.71 -4.76 119.66 113.21 2kku s GLN 135 Ca 0.00 -1.14 -0.24 0.00 -1.95 0.00 0.00 55.36 52.02 2kku s GLN 135 Cb 0.00 -2.16 -0.01 0.00 -0.22 0.00 0.00 33.01 30.63 2kku s GLN 135 CO 0.00 0.49 0.82 0.71 -0.25 0.00 0.00 175.29 177.05 2kku s TYR 136 N -1.16 3.31 -0.15 0.91 2.02 -1.26 -0.86 117.35 120.17 2kku s TYR 136 Ca 0.19 1.12 -0.23 0.00 -0.37 0.00 0.00 57.07 57.77 2kku s TYR 136 Cb -0.11 -3.04 -0.02 0.00 -0.40 0.00 0.00 41.96 38.39 2kku s TYR 136 CO 0.11 -0.39 0.72 -1.17 -1.57 0.00 0.00 175.55 173.25 2kku s LEU 137 N 2.80 4.21 -0.06 -1.29 0.20 -0.04 -4.91 118.68 119.58 2kku s LEU 137 Ca 0.34 1.06 0.02 0.00 0.69 0.00 0.00 54.13 56.24 2kku s LEU 137 Cb -0.15 -3.07 0.02 0.00 -0.43 0.00 0.00 46.19 42.55 2kku s LEU 137 CO 0.07 -0.27 -0.10 0.00 -0.29 0.00 0.00 176.35 175.77 2kku s ARG 138 N 1.65 1.44 0.00 1.98 3.03 -1.26 -1.86 118.95 123.94 2kku s ARG 138 Ca 0.35 -0.31 0.00 0.00 2.03 0.00 0.00 55.73 57.80 2kku s ARG 138 Cb -0.17 -1.27 0.00 0.00 -1.03 0.00 0.00 34.95 32.49 2kku s ARG 138 CO 0.13 -0.03 0.00 -1.91 -1.13 0.00 0.00 175.30 172.36