#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk0 n GLY 2 N 0.00 0.62 2.57 -5.12 0.00 0.05 -4.77 105.19 98.55 2kk0 n GLY 2 Ca 0.00 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 2kk0 n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kk0 s HIS 3 N 11.98 1.12 0.10 1.61 0.09 -1.24 -4.75 115.29 124.19 2kk0 s HIS 3 Ca 0.72 -1.75 -0.25 0.00 -0.00 0.00 0.00 55.06 53.78 2kk0 s HIS 3 Cb 0.02 -1.27 0.08 0.00 -0.00 0.00 0.00 32.58 31.41 2kk0 s HIS 3 CO 0.18 -0.82 0.70 -1.58 -0.00 0.00 0.00 174.74 173.23 2kk0 s HIS 4 N 1.09 -0.47 -0.03 1.40 5.65 -1.24 -5.10 115.29 116.59 2kk0 s HIS 4 Ca 0.16 0.29 -0.36 0.00 0.25 0.00 0.00 55.06 55.40 2kk0 s HIS 4 Cb -0.22 0.55 -0.14 0.00 -1.18 0.00 0.00 32.58 31.59 2kk0 s HIS 4 CO -0.07 -0.74 1.69 1.58 -0.65 0.00 0.00 174.74 176.55 2kk0 n HIS 5 N -0.32 2.13 -1.69 3.88 -0.00 -1.26 -4.86 115.22 113.10 2kk0 n HIS 5 Ca -0.14 0.28 -0.44 0.00 -0.00 0.00 0.00 57.72 57.41 2kk0 n HIS 5 Cb 0.64 -2.54 -0.04 0.00 -0.00 0.00 0.00 29.99 28.05 2kk0 n HIS 5 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kk0 n HIS 6 N 4.88 2.48 -3.75 1.57 -0.00 -1.26 -4.97 115.22 114.16 2kk0 n HIS 6 Ca 0.21 0.18 -0.07 0.00 -0.00 0.00 0.00 57.72 58.04 2kk0 n HIS 6 Cb 0.24 -2.60 -0.02 0.00 -0.00 0.00 0.00 29.99 27.62 2kk0 n HIS 6 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kk0 s HIS 7 N 0.97 -0.24 0.04 4.41 -3.43 -1.26 -5.17 115.29 110.61 2kk0 s HIS 7 Ca 0.77 -0.13 0.00 0.00 -0.80 0.00 0.00 55.06 54.90 2kk0 s HIS 7 Cb -0.61 0.66 0.00 0.00 -1.43 0.00 0.00 32.58 31.21 2kk0 s HIS 7 CO 0.36 -1.04 0.01 0.72 -2.00 0.00 0.00 174.74 172.78 2kk0 n HIS 8 N -0.44 -0.37 -3.74 0.38 -0.00 -1.26 -4.97 115.22 104.82 2kk0 n HIS 8 Ca -0.07 -0.18 -0.06 0.00 -0.00 0.00 0.00 57.72 57.41 2kk0 n HIS 8 Cb 0.60 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.99 30.56 2kk0 n HIS 8 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2kk0 n SER 9 N -1.32 -0.62 -3.41 0.41 2.88 -1.26 -5.15 113.62 105.15 2kk0 n SER 9 Ca -0.01 -1.80 -0.19 0.00 -1.33 0.00 0.00 58.87 55.54 2kk0 n SER 9 Cb 0.05 1.14 -0.10 0.00 -0.75 0.00 0.00 64.21 64.55 2kk0 n SER 9 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 2kk0 s HIS 10 N -4.30 -0.32 0.14 0.66 -3.43 -1.26 -5.14 115.29 101.64 2kk0 s HIS 10 Ca 0.12 -0.40 -0.10 0.00 -0.80 0.00 0.00 55.06 53.88 2kk0 s HIS 10 Cb -0.01 -0.51 -0.00 0.00 -1.43 0.00 0.00 32.58 30.64 2kk0 s HIS 10 CO 0.09 -0.92 0.28 -1.64 -2.00 0.00 0.00 174.74 170.55 2kk0 s MET 11 N 2.13 1.07 -0.70 -0.38 -1.94 -1.26 -5.05 119.30 113.18 2kk0 s MET 11 Ca 0.11 -1.05 -0.06 0.00 -1.71 0.00 0.00 55.69 52.98 2kk0 s MET 11 Cb -0.15 0.38 -0.12 0.00 2.01 0.00 0.00 34.83 36.96 2kk0 s MET 11 CO -0.27 -0.39 2.61 -2.30 -0.01 0.00 0.00 175.02 174.67 2kk0 n PRO 12 N -0.18 2.21 0.23 2.03 -0.02 -1.26 -4.63 135.00 133.38 2kk0 n PRO 12 Ca -0.10 -1.33 0.09 0.00 -2.02 0.00 0.00 63.50 60.14 2kk0 n PRO 12 Cb 0.63 -2.29 0.55 0.00 -0.02 0.00 0.00 33.50 32.37 2kk0 n PRO 12 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2kk0 h ASP 13 N 4.93 0.00 -4.28 2.55 2.03 -1.96 -3.44 116.42 116.24 2kk0 h ASP 13 Ca 0.44 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 56.22 2kk0 h ASP 13 Cb 0.60 0.00 0.15 0.00 -0.83 0.00 0.00 39.33 39.25 2kk0 h ASP 13 CO 1.04 0.22 0.29 -1.00 -1.03 0.00 0.00 179.24 178.77 2kk0 s HIS 14 N -4.03 2.20 -0.17 4.15 3.76 -1.26 -4.64 115.29 115.30 2kk0 s HIS 14 Ca -0.02 1.64 0.04 0.00 -0.15 0.00 0.00 55.06 56.57 2kk0 s HIS 14 Cb 0.13 -3.19 -0.04 0.00 1.11 0.00 0.00 32.58 30.58 2kk0 s HIS 14 CO 0.64 -2.21 0.16 0.41 -0.85 0.00 0.00 174.74 172.89 2kk0 n GLY 15 N -0.54 0.62 1.47 -2.22 0.00 -1.26 -4.78 105.19 98.48 2kk0 n GLY 15 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kk0 n GLY 15 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kk0 n ASP 16 N -1.10 4.72 -0.39 1.61 5.75 -1.26 -4.30 116.55 121.57 2kk0 n ASP 16 Ca 0.01 -2.26 0.10 0.00 -0.01 0.00 0.00 54.79 52.63 2kk0 n ASP 16 Cb 0.06 -0.98 0.44 0.00 -1.03 0.00 0.00 41.12 39.60 2kk0 n ASP 16 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2kk0 n TRP 17 N 1.42 0.14 -3.14 2.11 7.02 -1.26 -4.92 117.44 118.81 2kk0 n TRP 17 Ca 0.00 -0.07 -0.18 0.00 -1.02 0.00 0.00 57.50 56.23 2kk0 n TRP 17 Cb 0.46 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.36 2kk0 n TRP 17 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2kk0 s THR 18 N -1.86 2.82 0.05 -0.99 -4.23 -1.26 -4.99 115.64 105.17 2kk0 s THR 18 Ca 0.32 -1.08 0.31 0.00 -1.18 0.00 0.00 61.69 60.05 2kk0 s THR 18 Cb 0.16 -2.90 0.32 0.00 1.34 0.00 0.00 72.50 71.42 2kk0 s THR 18 CO 0.25 0.00 1.93 0.10 -0.54 0.00 0.00 174.62 176.36 2kk0 h TYR 19 N 0.68 0.00 -1.99 3.99 -0.00 -1.99 -3.42 116.97 114.23 2kk0 h TYR 19 Ca -0.39 0.00 -0.50 0.00 -0.00 0.00 0.00 58.73 57.83 2kk0 h TYR 19 Cb 1.28 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.99 2kk0 h TYR 19 CO 0.44 0.00 1.41 -1.21 -0.00 0.00 0.00 178.16 178.80 2kk0 s GLU 20 N -3.70 2.61 -0.00 0.10 2.02 -1.26 -4.87 118.70 113.60 2kk0 s GLU 20 Ca -0.01 0.96 -0.25 0.00 0.02 0.00 0.00 54.97 55.68 2kk0 s GLU 20 Cb 0.09 -4.41 -0.17 0.00 0.10 0.00 0.00 34.13 29.74 2kk0 s GLU 20 CO 0.34 -2.72 1.24 1.49 0.02 0.00 0.00 175.26 175.63 2kk0 h GLU 21 N 15.78 -0.24 -5.43 1.61 4.81 -1.99 -3.41 114.58 125.72 2kk0 h GLU 21 Ca -0.27 0.02 -0.61 0.00 -0.13 0.00 0.00 59.36 58.37 2kk0 h GLU 21 Cb 1.19 0.05 -0.12 0.00 0.63 0.00 0.00 28.75 30.51 2kk0 h GLU 21 CO 1.17 0.12 0.01 1.14 -0.73 0.00 0.00 179.01 180.72 2kk0 s GLN 22 N -4.52 4.11 -1.11 1.92 1.03 -1.26 -4.94 119.66 114.89 2kk0 s GLN 22 Ca -0.14 0.39 -0.20 0.00 0.04 0.00 0.00 55.36 55.45 2kk0 s GLN 22 Cb 0.02 -3.63 0.08 0.00 0.03 0.00 0.00 33.01 29.52 2kk0 s GLN 22 CO 0.58 -0.30 1.48 0.12 -2.54 0.00 0.00 175.29 174.63 2kk0 s PHE 23 N 2.15 2.82 -0.80 9.60 5.36 -1.26 -4.84 117.98 131.00 2kk0 s PHE 23 Ca 0.23 -1.32 0.08 0.00 -0.96 0.00 0.00 56.93 54.96 2kk0 s PHE 23 Cb -0.16 -4.60 0.39 0.00 -0.34 0.00 0.00 43.02 38.32 2kk0 s PHE 23 CO 0.09 -1.76 1.25 1.17 -1.46 0.00 0.00 175.22 174.51 2kk0 n LYS 24 N 7.96 0.04 -0.24 10.12 4.81 -1.26 -3.33 118.16 136.25 2kk0 n LYS 24 Ca 0.37 0.49 0.05 0.00 -0.87 0.00 0.00 58.31 58.35 2kk0 n LYS 24 Cb 0.48 -1.62 0.18 0.00 0.02 0.00 0.00 35.03 34.09 2kk0 n LYS 24 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 2kk0 h GLN 25 N 0.00 0.30 -0.29 1.64 5.75 -1.96 0.98 115.11 121.53 2kk0 h GLN 25 Ca 0.00 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.49 2kk0 h GLN 25 Cb 0.05 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 2kk0 h GLN 25 CO 0.00 0.20 0.19 -0.07 -2.65 0.00 0.00 178.83 176.50 2kk0 h LEU 26 N 0.31 0.31 -0.78 -2.39 3.38 -1.96 -0.94 115.31 113.23 2kk0 h LEU 26 Ca 0.41 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.24 2kk0 h LEU 26 Cb 0.67 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2kk0 h LEU 26 CO -0.47 0.22 -0.56 1.88 0.09 0.00 0.00 178.44 179.60 2kk0 h TYR 27 N 0.36 0.18 -0.50 1.13 -1.99 -1.07 -3.23 116.97 111.85 2kk0 h TYR 27 Ca 0.11 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.78 2kk0 h TYR 27 Cb -0.00 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 38.69 2kk0 h TYR 27 CO -0.00 0.67 0.00 0.39 -0.00 0.00 0.00 178.16 179.22 2kk0 n GLU 28 N -3.89 3.74 -0.03 4.88 1.02 -0.47 -4.31 120.64 121.57 2kk0 n GLU 28 Ca -0.02 -2.86 -0.09 0.00 -0.02 0.00 0.00 57.16 54.17 2kk0 n GLU 28 Cb 0.58 -1.91 -0.03 0.00 -0.02 0.00 0.00 31.44 30.06 2kk0 n GLU 28 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2kk0 h LEU 29 N 3.25 -0.87 -2.75 -4.62 3.38 -1.28 -3.13 115.31 109.29 2kk0 h LEU 29 Ca 0.00 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2kk0 h LEU 29 Cb 1.51 0.39 0.00 0.00 0.09 0.00 0.00 40.66 42.65 2kk0 h LEU 29 CO 0.27 -0.31 0.00 0.47 0.09 0.00 0.00 178.44 178.96 2kk0 n ASP 30 N -5.39 2.02 -3.75 -0.43 9.92 -1.26 -4.98 116.55 112.67 2kk0 n ASP 30 Ca -0.02 -1.89 -0.26 0.00 -0.53 0.00 0.00 54.79 52.10 2kk0 n ASP 30 Cb 0.31 -0.03 0.05 0.00 -0.64 0.00 0.00 41.12 40.80 2kk0 n ASP 30 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kk0 n GLY 31 N -0.29 -0.45 3.73 0.44 0.00 -1.18 -4.98 105.19 102.44 2kk0 n GLY 31 Ca 0.02 0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 2kk0 n GLY 31 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kk0 s ASP 32 N -3.64 5.61 0.11 1.61 2.15 -1.26 -5.04 116.67 116.20 2kk0 s ASP 32 Ca 0.44 0.22 -0.28 0.00 0.43 0.00 0.00 52.55 53.36 2kk0 s ASP 32 Cb -0.21 -1.72 -0.10 0.00 -0.30 0.00 0.00 42.92 40.58 2kk0 s ASP 32 CO 0.79 0.35 1.63 1.55 -0.17 0.00 0.00 175.17 179.33 2kk0 h PRO 33 N 5.38 -0.52 0.00 4.34 0.13 -1.93 -2.36 132.00 137.03 2kk0 h PRO 33 Ca -0.49 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2kk0 h PRO 33 Cb 1.20 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2kk0 h PRO 33 CO 0.58 -0.35 0.00 0.87 -0.23 0.00 0.00 178.00 178.87 2kk0 h LYS 34 N -0.54 0.00 0.59 0.86 1.79 -1.98 -2.29 116.57 115.00 2kk0 h LYS 34 Ca 0.01 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 2kk0 h LYS 34 Cb 0.53 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.19 2kk0 h LYS 34 CO -0.11 0.00 -0.28 -0.09 -1.08 0.00 0.00 179.45 177.88 2kk0 h ARG 35 N 0.00 -0.76 -0.03 3.15 9.65 -1.75 -0.22 114.38 124.41 2kk0 h ARG 35 Ca 0.00 0.05 -0.15 0.00 -1.10 0.00 0.00 59.98 58.78 2kk0 h ARG 35 Cb 0.27 0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 29.01 2kk0 h ARG 35 CO 0.00 -0.47 -0.65 1.57 2.80 0.00 0.00 179.97 183.22 2kk0 h LYS 36 N -0.92 0.13 0.34 0.20 -0.00 -1.52 -2.75 116.57 112.05 2kk0 h LYS 36 Ca -0.08 -0.10 -0.02 0.00 -0.00 0.00 0.00 60.65 60.45 2kk0 h LYS 36 Cb 0.65 0.02 0.00 0.00 -0.00 0.00 0.00 32.23 32.90 2kk0 h LYS 36 CO 0.13 0.74 -0.16 0.93 -0.00 0.00 0.00 179.45 181.09 2kk0 h GLU 37 N 0.10 -0.43 -0.21 0.07 5.08 -1.41 0.10 114.58 117.87 2kk0 h GLU 37 Ca -0.01 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 2kk0 h GLU 37 Cb 1.17 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 2kk0 h GLU 37 CO 0.09 -0.26 0.00 0.35 -1.00 0.00 0.00 179.01 178.19 2kk0 h PHE 38 N -0.49 -0.01 -0.86 4.33 3.57 -1.05 -1.24 116.94 121.19 2kk0 h PHE 38 Ca -0.05 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 2kk0 h PHE 38 Cb 0.37 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 2kk0 h PHE 38 CO -0.04 -0.03 0.47 -0.07 -2.23 0.00 0.00 178.31 176.41 2kk0 h LEU 39 N 0.07 1.07 0.08 0.59 3.38 -1.44 0.19 115.31 119.25 2kk0 h LEU 39 Ca 0.10 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kk0 h LEU 39 Cb 0.13 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.60 2kk0 h LEU 39 CO -0.17 0.86 -0.04 -0.78 0.09 0.00 0.00 178.44 178.40 2kk0 h ASP 40 N 1.20 -0.10 -0.61 -0.43 3.58 -0.41 0.12 116.42 119.77 2kk0 h ASP 40 Ca 0.30 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.76 2kk0 h ASP 40 Cb 0.02 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.07 2kk0 h ASP 40 CO -0.05 -0.07 0.38 0.44 -2.88 0.00 0.00 179.24 177.06 2kk0 h ASP 41 N -0.11 0.73 0.79 2.28 5.19 -1.04 -2.47 116.42 121.79 2kk0 h ASP 41 Ca -0.01 -0.05 -0.04 0.00 -0.62 0.00 0.00 57.03 56.31 2kk0 h ASP 41 Cb 0.09 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.42 2kk0 h ASP 41 CO 0.01 0.57 -0.43 0.25 -3.12 0.00 0.00 179.24 176.52 2kk0 h LEU 42 N 0.83 -1.06 -0.37 1.55 5.85 -0.33 0.24 115.31 122.01 2kk0 h LEU 42 Ca 0.22 0.05 0.05 0.00 0.84 0.00 0.00 57.88 59.04 2kk0 h LEU 42 Cb -0.03 0.30 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 2kk0 h LEU 42 CO -0.04 -0.70 0.09 -0.26 -0.34 0.00 0.00 178.44 177.19 2kk0 h PHE 43 N -1.13 0.16 -0.71 1.25 -1.00 -1.03 -1.37 116.94 113.10 2kk0 h PHE 43 Ca -0.11 0.02 -0.06 0.00 2.81 0.00 0.00 57.97 60.63 2kk0 h PHE 43 Cb 0.89 -0.01 -0.03 0.00 3.61 0.00 0.00 35.95 40.41 2kk0 h PHE 43 CO -0.06 0.04 0.20 0.77 -1.61 0.00 0.00 178.31 177.65 2kk0 h SER 44 N 0.23 1.05 0.54 2.17 0.02 -1.40 -1.26 113.55 114.90 2kk0 h SER 44 Ca 0.18 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 2kk0 h SER 44 Cb 0.19 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 62.46 2kk0 h SER 44 CO -0.22 0.99 -0.26 0.15 -1.14 0.00 0.00 176.83 176.35 2kk0 h PHE 45 N 1.07 -0.67 -0.22 3.45 3.57 0.12 -0.11 116.94 124.14 2kk0 h PHE 45 Ca 0.23 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 2kk0 h PHE 45 Cb 0.33 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 2kk0 h PHE 45 CO 0.03 -0.37 -0.18 0.00 -2.23 0.00 0.00 178.31 175.55 2kk0 h MET 46 N -0.84 0.37 -0.03 1.11 -0.00 -1.31 -1.82 114.93 112.42 2kk0 h MET 46 Ca -0.07 -0.11 0.01 0.00 -0.00 0.00 0.00 59.70 59.52 2kk0 h MET 46 Cb 0.60 -0.04 -0.00 0.00 -0.00 0.00 0.00 31.60 32.16 2kk0 h MET 46 CO 0.12 0.55 -0.01 0.37 -0.00 0.00 0.00 176.91 177.94 2kk0 h GLN 47 N 0.34 0.00 -0.09 -0.10 4.15 -1.12 0.19 115.11 118.49 2kk0 h GLN 47 Ca 0.06 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 2kk0 h GLN 47 Cb 0.52 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 2kk0 h GLN 47 CO 0.03 0.00 -0.05 0.87 -1.93 0.00 0.00 178.83 177.75 2kk0 h LYS 48 N 0.00 0.12 -0.00 1.69 1.57 -0.67 -1.70 116.57 117.57 2kk0 h LYS 48 Ca 0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2kk0 h LYS 48 Cb 0.02 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2kk0 h LYS 48 CO -0.03 0.19 -0.07 2.89 -0.57 0.00 0.00 179.45 181.86 2kk0 n ARG 49 N -4.40 0.56 0.00 3.15 1.85 -0.71 -4.90 116.66 112.21 2kk0 n ARG 49 Ca -0.02 -0.12 0.00 0.00 -1.00 0.00 0.00 57.85 56.71 2kk0 n ARG 49 Cb 0.18 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.09 2kk0 n ARG 49 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2kk0 n GLY 50 N 1.28 1.65 2.87 2.89 0.00 -0.64 -5.08 105.19 108.16 2kk0 n GLY 50 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 2kk0 n GLY 50 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kk0 s THR 51 N -2.00 -0.86 0.68 2.61 -1.32 0.62 -5.00 115.64 110.37 2kk0 s THR 51 Ca 0.00 -0.60 -0.13 0.00 -1.21 0.00 0.00 61.69 59.75 2kk0 s THR 51 Cb 0.00 0.00 0.01 0.00 -1.51 0.00 0.00 72.50 71.00 2kk0 s THR 51 CO 0.00 0.00 1.09 -2.84 -2.21 0.00 0.00 174.62 170.66 2kk0 s PRO 52 N 1.19 2.78 -0.49 7.08 0.02 -1.26 -3.20 135.00 141.13 2kk0 s PRO 52 Ca 0.25 1.22 -0.29 0.00 0.02 0.00 0.00 61.00 62.20 2kk0 s PRO 52 Cb 0.01 -1.96 0.03 0.00 0.02 0.00 0.00 34.50 32.60 2kk0 s PRO 52 CO -0.07 -1.24 1.14 0.08 -0.33 0.00 0.00 177.00 176.58 2kk0 s VAL 53 N -2.64 4.18 -0.00 3.83 1.01 -1.26 -4.93 120.40 120.59 2kk0 s VAL 53 Ca 0.63 1.18 -0.03 0.00 0.00 0.00 0.00 61.98 63.76 2kk0 s VAL 53 Cb -0.17 -4.62 -0.01 0.00 0.00 0.00 0.00 36.38 31.57 2kk0 s VAL 53 CO 0.47 -1.05 0.61 -1.13 0.00 0.00 0.00 175.10 174.00 2kk0 h ASN 54 N 9.27 -0.08 -5.45 3.32 -1.24 -1.99 -3.49 115.58 115.92 2kk0 h ASN 54 Ca -0.23 0.00 -0.18 0.00 0.71 0.00 0.00 56.30 56.60 2kk0 h ASN 54 Cb 1.06 0.02 -0.14 0.00 0.73 0.00 0.00 38.32 39.99 2kk0 h ASN 54 CO 1.13 -0.03 -0.52 -0.13 -1.29 0.00 0.00 177.43 176.60 2kk0 s ARG 55 N -2.39 1.17 -0.04 6.67 0.52 -1.26 -4.97 118.95 118.66 2kk0 s ARG 55 Ca -0.01 -1.47 -0.17 0.00 -0.52 0.00 0.00 55.73 53.56 2kk0 s ARG 55 Cb 0.00 0.31 -0.05 0.00 0.52 0.00 0.00 34.95 35.73 2kk0 s ARG 55 CO 0.04 -0.40 0.48 0.42 0.02 0.00 0.00 175.30 175.86 2kk0 s ILE 56 N -4.09 5.05 0.38 1.52 1.01 -1.26 -5.05 121.20 118.76 2kk0 s ILE 56 Ca 0.30 0.98 -0.26 0.00 0.00 0.00 0.00 60.65 61.66 2kk0 s ILE 56 Cb 0.06 -3.81 -0.11 0.00 0.01 0.00 0.00 42.46 38.61 2kk0 s ILE 56 CO 0.07 0.45 1.24 -2.65 0.00 0.00 0.00 174.94 174.05 2kk0 n PRO 57 N 2.72 1.93 -4.70 2.79 -0.02 -1.26 -4.89 135.00 131.57 2kk0 n PRO 57 Ca -0.10 0.68 -0.33 0.00 -2.02 0.00 0.00 63.50 61.73 2kk0 n PRO 57 Cb 0.52 -2.30 -0.14 0.00 -0.02 0.00 0.00 33.50 31.56 2kk0 n PRO 57 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2kk0 s ILE 58 N -1.16 3.25 -0.01 4.25 -1.09 -1.26 -1.67 121.20 123.51 2kk0 s ILE 58 Ca 0.59 -0.59 0.02 0.00 -2.23 0.00 0.00 60.65 58.43 2kk0 s ILE 58 Cb -0.55 -2.37 -0.00 0.00 -1.58 0.00 0.00 42.46 37.96 2kk0 s ILE 58 CO 0.60 0.52 -0.06 -0.32 -1.23 0.00 0.00 174.94 174.46 2kk0 s MET 59 N 0.24 0.54 -1.50 2.79 -2.45 0.32 -4.85 119.30 114.39 2kk0 s MET 59 Ca -0.07 -0.20 -0.05 0.00 -1.25 0.00 0.00 55.69 54.13 2kk0 s MET 59 Cb -0.15 -0.53 0.02 0.00 1.25 0.00 0.00 34.83 35.42 2kk0 s MET 59 CO 0.05 0.10 0.46 0.00 1.05 0.00 0.00 175.02 176.67 2kk0 n ALA 60 N 3.11 -0.93 -0.95 4.11 0.00 -1.26 -0.94 120.51 123.65 2kk0 n ALA 60 Ca -0.15 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2kk0 n ALA 60 Cb 0.57 -3.27 0.00 0.00 0.00 0.00 0.00 19.45 16.75 2kk0 n ALA 60 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2kk0 n LYS 61 N -3.75 -0.74 -4.46 0.00 4.76 -1.26 -4.99 118.16 107.72 2kk0 n LYS 61 Ca -0.12 0.19 -0.22 0.00 -2.87 0.00 0.00 58.31 55.29 2kk0 n LYS 61 Cb 0.61 -3.84 -0.10 0.00 -1.84 0.00 0.00 35.03 29.86 2kk0 n LYS 61 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 2kk0 s GLN 62 N -0.84 1.68 0.38 1.97 -2.07 -0.12 -4.95 119.66 115.71 2kk0 s GLN 62 Ca 0.00 -1.94 -0.26 0.00 -1.82 0.00 0.00 55.36 51.34 2kk0 s GLN 62 Cb 0.00 -0.86 -0.09 0.00 -1.09 0.00 0.00 33.01 30.97 2kk0 s GLN 62 CO 0.00 -0.21 1.20 0.54 -1.32 0.00 0.00 175.29 175.50 2kk0 s VAL 63 N -3.28 3.06 -0.34 3.63 0.11 -1.26 -0.52 120.40 121.79 2kk0 s VAL 63 Ca 0.36 0.93 -0.24 0.00 -2.93 0.00 0.00 61.98 60.09 2kk0 s VAL 63 Cb 0.08 -3.54 0.01 0.00 -1.53 0.00 0.00 36.38 31.40 2kk0 s VAL 63 CO 0.15 0.12 0.82 -0.22 -3.33 0.00 0.00 175.10 172.64 2kk0 s LEU 64 N -2.33 4.09 -0.99 2.54 2.96 -0.67 -4.73 118.68 119.54 2kk0 s LEU 64 Ca 0.55 0.52 -0.26 0.00 -0.22 0.00 0.00 54.13 54.72 2kk0 s LEU 64 Cb -0.33 -3.10 -0.18 0.00 0.50 0.00 0.00 46.19 43.08 2kk0 s LEU 64 CO 0.42 -0.72 2.19 -1.81 -1.32 0.00 0.00 176.35 175.11 2kk0 s ASP 65 N 1.76 3.72 0.25 3.68 1.11 -1.26 -4.77 116.67 121.16 2kk0 s ASP 65 Ca 0.33 -0.68 -0.05 0.00 0.18 0.00 0.00 52.55 52.34 2kk0 s ASP 65 Cb -0.13 -2.58 0.31 0.00 1.07 0.00 0.00 42.92 41.59 2kk0 s ASP 65 CO 0.16 -4.33 1.91 -0.07 1.18 0.00 0.00 175.17 174.01 2kk0 h LEU 66 N 22.03 1.10 -0.10 1.23 3.38 -1.96 0.24 115.31 141.23 2kk0 h LEU 66 Ca 0.02 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.01 2kk0 h LEU 66 Cb 0.99 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 2kk0 h LEU 66 CO 1.03 0.76 -0.09 0.15 0.09 0.00 0.00 178.44 180.38 2kk0 h PHE 67 N 1.28 -0.23 -0.10 1.13 3.57 -1.93 -1.60 116.94 119.07 2kk0 h PHE 67 Ca 0.39 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.74 2kk0 h PHE 67 Cb -0.03 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 2kk0 h PHE 67 CO -0.00 -0.14 -0.66 0.52 -2.23 0.00 0.00 178.31 175.79 2kk0 h MET 68 N -0.11 0.40 -0.75 1.11 2.86 -1.88 -2.83 114.93 113.73 2kk0 h MET 68 Ca 0.07 -0.30 0.08 0.00 -2.06 0.00 0.00 59.70 57.49 2kk0 h MET 68 Cb 0.21 0.05 -0.07 0.00 0.06 0.00 0.00 31.60 31.86 2kk0 h MET 68 CO -0.17 0.93 0.41 1.25 1.06 0.00 0.00 176.91 180.39 2kk0 h LEU 69 N 0.29 0.59 0.48 1.22 5.85 -0.26 0.21 115.31 123.69 2kk0 h LEU 69 Ca -0.02 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2kk0 h LEU 69 Cb 1.22 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.18 2kk0 h LEU 69 CO 0.11 0.35 -0.23 0.22 -0.34 0.00 0.00 178.44 178.56 2kk0 h TYR 70 N 0.72 -0.60 0.56 1.25 3.20 -1.21 -2.63 116.97 118.26 2kk0 h TYR 70 Ca 0.35 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.19 2kk0 h TYR 70 Cb 0.30 0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.76 2kk0 h TYR 70 CO -0.08 -0.36 -0.33 0.28 -1.64 0.00 0.00 178.16 176.03 2kk0 h VAL 71 N -0.67 0.32 -0.96 1.81 2.07 -1.15 -0.02 116.25 117.66 2kk0 h VAL 71 Ca -0.07 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.56 2kk0 h VAL 71 Cb 0.51 0.32 -0.08 0.00 -1.52 0.00 0.00 31.29 30.52 2kk0 h VAL 71 CO 0.11 0.00 0.59 -0.07 0.02 0.00 0.00 177.57 178.22 2kk0 h LEU 72 N -0.84 0.89 -0.04 2.57 -0.00 -0.70 -0.57 115.31 116.62 2kk0 h LEU 72 Ca -0.07 0.04 -0.11 0.00 -0.00 0.00 0.00 57.88 57.75 2kk0 h LEU 72 Cb 0.68 -0.14 0.01 0.00 -0.00 0.00 0.00 40.66 41.20 2kk0 h LEU 72 CO 0.08 0.50 -0.39 0.58 -0.00 0.00 0.00 178.44 179.21 2kk0 h VAL 73 N 0.98 1.44 -0.57 1.22 2.07 -1.35 -3.32 116.25 116.72 2kk0 h VAL 73 Ca 0.46 -1.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.08 2kk0 h VAL 73 Cb 0.38 2.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 2kk0 h VAL 73 CO -0.24 0.53 0.19 0.71 0.02 0.00 0.00 177.57 178.78 2kk0 h THR 74 N -0.19 1.24 -0.12 2.57 1.35 -0.66 -2.49 112.91 114.61 2kk0 h THR 74 Ca -0.04 -0.78 0.04 0.00 -0.55 0.00 0.00 66.41 65.08 2kk0 h THR 74 Cb 1.07 0.68 -0.00 0.00 -1.73 0.00 0.00 68.15 68.16 2kk0 h THR 74 CO 0.08 0.30 0.20 1.05 -0.25 0.00 0.00 175.52 176.90 2kk0 h GLU 75 N 0.79 0.00 0.00 4.72 4.11 -1.23 -0.14 114.58 122.83 2kk0 h GLU 75 Ca 0.18 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.46 2kk0 h GLU 75 Cb 0.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2kk0 h GLU 75 CO -0.01 0.00 -0.81 0.87 0.07 0.00 0.00 179.01 179.13 2kk0 h LYS 76 N 0.00 0.00 0.00 1.06 1.79 -1.55 -3.47 116.57 114.40 2kk0 h LYS 76 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 2kk0 h LYS 76 Cb 0.46 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 2kk0 h LYS 76 CO -0.00 0.62 0.00 0.41 -1.08 0.00 0.00 179.45 179.40 2kk0 n GLY 77 N 1.30 0.65 0.00 3.86 0.00 -0.07 -4.95 105.19 105.97 2kk0 n GLY 77 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2kk0 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kk0 n GLY 78 N 0.00 2.21 0.28 -0.02 0.00 -1.17 -4.51 105.19 101.98 2kk0 n GLY 78 Ca 0.00 -2.01 -0.11 0.00 0.00 0.00 0.00 46.02 43.89 2kk0 n GLY 78 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2kk0 h LEU 79 N 0.00 -0.73 -0.63 0.99 5.85 -1.91 -2.78 115.31 116.10 2kk0 h LEU 79 Ca 0.00 0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 2kk0 h LEU 79 Cb 0.00 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 2kk0 h LEU 79 CO 0.00 -0.32 0.18 0.58 -0.34 0.00 0.00 178.44 178.54 2kk0 h VAL 80 N -0.39 1.25 -0.54 1.05 2.07 -1.92 -1.55 116.25 116.21 2kk0 h VAL 80 Ca 0.06 -0.88 0.07 0.00 0.82 0.00 0.00 66.70 66.77 2kk0 h VAL 80 Cb 0.47 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 2kk0 h VAL 80 CO -0.21 0.33 0.20 -0.08 0.02 0.00 0.00 177.57 177.84 2kk0 h GLU 81 N 0.91 0.38 -0.70 1.57 4.22 -1.77 0.42 114.58 119.61 2kk0 h GLU 81 Ca 0.20 -0.02 -0.05 0.00 0.08 0.00 0.00 59.36 59.57 2kk0 h GLU 81 Cb 0.32 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2kk0 h GLU 81 CO -0.00 0.25 0.23 0.28 -2.18 0.00 0.00 179.01 177.59 2kk0 h VAL 82 N 0.39 1.25 -0.54 0.32 2.07 -1.19 -0.29 116.25 118.26 2kk0 h VAL 82 Ca 0.26 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 2kk0 h VAL 82 Cb 0.29 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 2kk0 h VAL 82 CO -0.26 0.33 0.22 0.40 0.02 0.00 0.00 177.57 178.29 2kk0 h ILE 83 N 1.03 1.20 0.01 4.57 2.04 -0.28 -0.58 117.51 125.49 2kk0 h ILE 83 Ca 0.23 -0.60 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 2kk0 h ILE 83 Cb 0.27 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 2kk0 h ILE 83 CO -0.01 0.24 -0.13 0.78 0.00 0.00 0.00 178.15 179.02 2kk0 h ASN 84 N 0.77 0.11 1.45 1.72 2.35 -0.43 -3.32 115.58 118.23 2kk0 h ASN 84 Ca 0.19 -0.82 0.00 0.00 -0.55 0.00 0.00 56.30 55.11 2kk0 h ASN 84 Cb 0.14 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2kk0 h ASN 84 CO -0.02 0.92 0.00 0.11 -1.65 0.00 0.00 177.43 176.79 2kk0 h LYS 85 N -0.69 0.00 -0.71 0.81 1.57 -1.08 -3.47 116.57 113.01 2kk0 h LYS 85 Ca -0.02 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.46 2kk0 h LYS 85 Cb 0.94 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.13 2kk0 h LYS 85 CO 0.03 0.00 -0.28 1.63 -0.57 0.00 0.00 179.45 180.26 2kk0 n LYS 86 N -2.56 -1.17 0.00 3.15 4.76 -0.23 -4.86 118.16 117.24 2kk0 n LYS 86 Ca 0.04 1.01 0.00 0.00 -2.87 0.00 0.00 58.31 56.49 2kk0 n LYS 86 Cb 0.41 -5.20 0.00 0.00 -1.84 0.00 0.00 35.03 28.40 2kk0 n LYS 86 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 2kk0 n LEU 87 N -1.69 1.87 0.29 -0.35 -0.00 -1.24 -4.02 117.00 111.86 2kk0 n LEU 87 Ca -0.15 -0.93 0.18 0.00 -0.00 0.00 0.00 56.01 55.11 2kk0 n LEU 87 Cb 0.52 -0.45 0.91 0.00 -0.00 0.00 0.00 43.42 44.40 2kk0 n LEU 87 CO 0.23 0.35 1.15 -0.50 -0.00 0.00 0.00 177.39 178.61 2kk0 h TRP 88 N 0.14 0.00 -0.44 1.47 4.06 -1.89 0.15 115.95 119.44 2kk0 h TRP 88 Ca 0.00 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 2kk0 h TRP 88 Cb 0.69 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.83 2kk0 h TRP 88 CO 0.00 0.00 0.21 0.07 -3.56 0.00 0.00 178.44 175.16 2kk0 h ARG 89 N 0.00 0.60 -0.07 0.49 0.11 -1.99 1.00 114.38 114.52 2kk0 h ARG 89 Ca 0.04 -0.06 -0.13 0.00 0.10 0.00 0.00 59.98 59.93 2kk0 h ARG 89 Cb 0.51 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 31.46 2kk0 h ARG 89 CO -0.00 0.47 -0.53 0.93 0.10 0.00 0.00 179.97 180.93 2kk0 h GLU 90 N 0.61 0.19 0.10 0.08 3.07 -1.05 -2.52 114.58 115.06 2kk0 h GLU 90 Ca 0.15 -0.11 -0.00 0.00 -0.50 0.00 0.00 59.36 58.90 2kk0 h GLU 90 Cb 0.06 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 2kk0 h GLU 90 CO -0.02 0.67 -0.05 0.82 -1.40 0.00 0.00 179.01 179.04 2kk0 h ILE 91 N 0.15 1.14 -0.49 3.13 1.08 -1.19 -2.27 117.51 119.05 2kk0 h ILE 91 Ca 0.00 -1.07 0.06 0.00 -0.39 0.00 0.00 64.86 63.46 2kk0 h ILE 91 Cb 0.99 1.80 -0.05 0.00 -3.07 0.00 0.00 36.82 36.48 2kk0 h ILE 91 CO 0.08 0.25 0.19 0.71 -0.69 0.00 0.00 178.15 178.70 2kk0 h THR 92 N -0.64 0.86 -0.96 -0.27 1.35 -0.92 0.03 112.91 112.36 2kk0 h THR 92 Ca -0.01 -0.13 0.15 0.00 -0.55 0.00 0.00 66.41 65.87 2kk0 h THR 92 Cb 0.51 0.45 -0.08 0.00 -1.73 0.00 0.00 68.15 67.30 2kk0 h THR 92 CO 0.02 0.07 0.61 0.50 -0.25 0.00 0.00 175.52 176.47 2kk0 h LYS 93 N 0.38 0.76 0.00 4.72 1.63 -1.49 0.25 116.57 122.82 2kk0 h LYS 93 Ca 0.23 -0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 59.94 2kk0 h LYS 93 Cb 0.22 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.67 2kk0 h LYS 93 CO -0.22 0.50 -0.23 0.78 -3.45 0.00 0.00 179.45 176.83 2kk0 h GLY 94 N 0.78 0.00 -1.88 5.01 0.00 -0.42 -2.69 103.07 103.87 2kk0 h GLY 94 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 2kk0 h GLY 94 CO -0.27 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.31 2kk0 n LEU 95 N -3.41 2.90 -1.39 3.11 4.77 -0.06 -4.93 117.00 118.00 2kk0 n LEU 95 Ca 0.00 -1.29 -0.16 0.00 -0.03 0.00 0.00 56.01 54.53 2kk0 n LEU 95 Cb 0.43 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.23 2kk0 n LEU 95 CO 0.34 0.65 -0.17 -3.20 -1.33 0.00 0.00 177.39 173.67 2kk0 n ASN 96 N 1.12 -4.89 -4.87 -1.43 4.05 -0.32 -4.92 115.26 104.00 2kk0 n ASN 96 Ca 0.18 0.28 -0.33 0.00 0.45 0.00 0.00 54.58 55.17 2kk0 n ASN 96 Cb 0.51 -3.85 -0.05 0.00 1.23 0.00 0.00 39.78 37.61 2kk0 n ASN 96 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2kk0 s LEU 97 N -3.90 4.24 0.27 1.20 1.43 0.67 -4.98 118.68 117.61 2kk0 s LEU 97 Ca 0.00 0.88 -0.29 0.00 -1.03 0.00 0.00 54.13 53.69 2kk0 s LEU 97 Cb 0.00 -3.44 -0.09 0.00 0.03 0.00 0.00 46.19 42.69 2kk0 s LEU 97 CO 0.00 0.02 1.25 -2.16 0.23 0.00 0.00 176.35 175.69 2kk0 s PRO 98 N -2.48 4.44 0.05 1.29 0.04 -1.26 -3.97 135.00 133.10 2kk0 s PRO 98 Ca 0.42 2.04 0.26 0.00 0.04 0.00 0.00 61.00 63.77 2kk0 s PRO 98 Cb -0.12 -3.15 1.07 0.00 0.04 0.00 0.00 34.50 32.34 2kk0 s PRO 98 CO 0.21 -0.11 1.83 -2.37 0.04 0.00 0.00 177.00 176.60 2kk0 n THR 99 N 1.61 0.27 1.85 1.26 5.66 -1.26 -3.37 114.28 120.30 2kk0 n THR 99 Ca 0.02 -0.01 0.06 0.00 -3.05 0.00 0.00 64.05 61.07 2kk0 n THR 99 Cb 0.43 -0.61 0.33 0.00 -1.55 0.00 0.00 70.33 68.93 2kk0 n THR 99 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2kk0 n SER 100 N -1.66 0.00 -4.67 1.09 2.88 -1.26 -0.77 113.62 109.23 2kk0 n SER 100 Ca 0.06 -1.50 -0.42 0.00 -1.33 0.00 0.00 58.87 55.68 2kk0 n SER 100 Cb 0.33 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.76 2kk0 n SER 100 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2kk0 s ILE 101 N -2.00 3.43 0.26 2.46 1.01 -1.22 -4.71 121.20 120.43 2kk0 s ILE 101 Ca 0.17 0.68 -0.01 0.00 0.00 0.00 0.00 60.65 61.48 2kk0 s ILE 101 Cb 0.08 -3.44 0.38 0.00 0.01 0.00 0.00 42.46 39.49 2kk0 s ILE 101 CO 0.13 -0.04 1.37 0.41 0.00 0.00 0.00 174.94 176.81 2kk0 n THR 102 N 5.15 -0.37 -2.75 2.92 -1.04 -1.26 -2.88 114.28 114.05 2kk0 n THR 102 Ca 0.16 1.95 -0.03 0.00 -2.04 0.00 0.00 64.05 64.09 2kk0 n THR 102 Cb 0.42 -2.79 0.07 0.00 -1.82 0.00 0.00 70.33 66.21 2kk0 n THR 102 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2kk0 n SER 103 N -5.32 0.49 -0.25 8.00 7.64 -1.26 -3.70 113.62 119.22 2kk0 n SER 103 Ca 0.19 -2.26 0.06 0.00 1.01 0.00 0.00 58.87 57.86 2kk0 n SER 103 Cb 0.60 -0.07 0.18 0.00 -1.01 0.00 0.00 64.21 63.91 2kk0 n SER 103 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kk0 h ALA 104 N 2.27 0.92 -0.47 -0.43 0.00 -1.85 -0.80 119.26 118.90 2kk0 h ALA 104 Ca -0.22 0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.95 2kk0 h ALA 104 Cb 1.26 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 19.28 2kk0 h ALA 104 CO 0.14 -0.37 0.15 0.00 0.00 0.00 0.00 179.25 179.17 2kk0 h ALA 105 N 1.64 0.57 -0.42 0.00 0.00 -1.90 0.26 119.26 119.40 2kk0 h ALA 105 Ca 0.42 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.30 2kk0 h ALA 105 Cb 0.74 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2kk0 h ALA 105 CO -0.56 -0.24 -0.13 0.35 0.00 0.00 0.00 179.25 178.67 2kk0 h PHE 106 N 0.32 0.95 0.15 0.00 3.57 -1.59 -1.88 116.94 118.46 2kk0 h PHE 106 Ca 0.23 -0.21 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2kk0 h PHE 106 Cb 0.25 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.76 2kk0 h PHE 106 CO -0.17 0.96 -0.07 1.15 -2.23 0.00 0.00 178.31 177.95 2kk0 h THR 107 N 0.66 1.00 -0.83 4.41 2.02 -1.04 -2.95 112.91 116.18 2kk0 h THR 107 Ca 0.10 -0.83 0.05 0.00 0.77 0.00 0.00 66.41 66.50 2kk0 h THR 107 Cb 0.67 1.50 -0.05 0.00 -1.74 0.00 0.00 68.15 68.53 2kk0 h THR 107 CO 0.05 0.19 0.55 -0.07 0.37 0.00 0.00 175.52 176.60 2kk0 h LEU 108 N -0.61 0.86 -0.88 2.58 3.38 -1.01 -0.46 115.31 119.18 2kk0 h LEU 108 Ca -0.02 -0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.09 2kk0 h LEU 108 Cb 0.46 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 40.93 2kk0 h LEU 108 CO 0.03 0.58 0.48 -0.09 0.09 0.00 0.00 178.44 179.54 2kk0 h ARG 109 N 0.99 0.68 -0.02 1.13 1.12 -1.33 -0.19 114.38 116.76 2kk0 h ARG 109 Ca 0.34 -0.04 -0.05 0.00 -1.11 0.00 0.00 59.98 59.12 2kk0 h ARG 109 Cb 0.10 -0.15 0.00 0.00 -0.01 0.00 0.00 29.97 29.91 2kk0 h ARG 109 CO -0.11 0.45 -0.19 1.15 -3.11 0.00 0.00 179.97 178.17 2kk0 h THR 110 N 0.71 1.51 -0.05 0.20 2.02 -0.96 -3.03 112.91 113.30 2kk0 h THR 110 Ca 0.47 -1.76 0.01 0.00 0.77 0.00 0.00 66.41 65.90 2kk0 h THR 110 Cb 0.62 2.59 -0.01 0.00 -1.74 0.00 0.00 68.15 69.60 2kk0 h THR 110 CO -0.34 0.48 -0.00 1.56 0.37 0.00 0.00 175.52 177.59 2kk0 h GLN 111 N -0.45 0.01 -0.59 6.66 1.08 -0.90 -2.35 115.11 118.57 2kk0 h GLN 111 Ca -0.02 -0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.23 2kk0 h GLN 111 Cb 0.88 -0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.27 2kk0 h GLN 111 CO 0.04 0.01 0.32 -0.92 -0.95 0.00 0.00 178.83 177.33 2kk0 h TYR 112 N 0.01 0.59 -0.90 2.96 5.03 -1.18 -2.49 116.97 120.99 2kk0 h TYR 112 Ca 0.02 0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.43 2kk0 h TYR 112 Cb 0.03 -0.18 -0.06 0.00 1.55 0.00 0.00 36.73 38.07 2kk0 h TYR 112 CO -0.11 0.30 0.59 1.98 -1.32 0.00 0.00 178.16 179.60 2kk0 h MET 113 N 0.62 0.96 -0.03 1.82 4.05 -1.34 0.11 114.93 121.12 2kk0 h MET 113 Ca 0.26 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.59 2kk0 h MET 113 Cb 0.13 -0.22 0.00 0.00 -0.80 0.00 0.00 31.60 30.71 2kk0 h MET 113 CO -0.15 0.64 -0.08 0.87 0.23 0.00 0.00 176.91 178.42 2kk0 h LYS 114 N 0.99 0.11 0.00 0.39 1.57 -1.00 -3.37 116.57 115.27 2kk0 h LYS 114 Ca 0.40 -0.07 -0.37 0.00 -1.87 0.00 0.00 60.65 58.74 2kk0 h LYS 114 Cb 0.26 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.52 2kk0 h LYS 114 CO -0.16 0.68 -2.23 0.66 -0.57 0.00 0.00 179.45 177.83 2kk0 n TYR 115 N -4.70 0.00 0.07 -1.35 4.01 -1.04 -4.73 117.16 109.42 2kk0 n TYR 115 Ca -0.08 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.76 2kk0 n TYR 115 Cb 0.34 -0.80 -0.04 0.00 -0.31 0.00 0.00 39.34 38.54 2kk0 n TYR 115 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2kk0 n LEU 116 N -3.88 0.67 -0.08 7.72 4.77 -0.10 -4.37 117.00 121.74 2kk0 n LEU 116 Ca -0.43 0.26 -0.08 0.00 -0.03 0.00 0.00 56.01 55.73 2kk0 n LEU 116 Cb 0.82 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.87 2kk0 n LEU 116 CO 0.05 -0.11 0.97 0.22 -1.33 0.00 0.00 177.39 177.18 2kk0 h TYR 117 N 0.00 0.29 -0.81 -1.77 3.20 -1.03 -1.84 116.97 115.01 2kk0 h TYR 117 Ca -0.02 0.01 0.13 0.00 3.14 0.00 0.00 58.73 61.99 2kk0 h TYR 117 Cb 1.07 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 39.19 2kk0 h TYR 117 CO 0.00 0.17 0.53 -1.00 -1.64 0.00 0.00 178.16 176.22 2kk0 h PRO 118 N 0.32 0.59 -0.09 1.82 0.13 -1.81 -0.73 132.00 132.23 2kk0 h PRO 118 Ca 0.11 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 65.09 2kk0 h PRO 118 Cb 0.02 -0.13 0.01 0.00 0.13 0.00 0.00 31.00 31.02 2kk0 h PRO 118 CO -0.07 0.39 -0.40 -0.92 -0.23 0.00 0.00 178.00 176.78 2kk0 h TYR 119 N 0.61 0.57 -0.02 1.56 5.03 -1.68 -2.19 116.97 120.85 2kk0 h TYR 119 Ca 0.40 -0.25 0.02 0.00 2.58 0.00 0.00 58.73 61.48 2kk0 h TYR 119 Cb 0.68 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.85 2kk0 h TYR 119 CO -0.00 1.00 -0.08 1.49 -1.32 0.00 0.00 178.16 179.25 2kk0 h GLU 120 N -0.03 -0.12 -0.75 1.82 4.22 -0.89 -1.04 114.58 117.79 2kk0 h GLU 120 Ca -0.03 0.01 0.05 0.00 0.08 0.00 0.00 59.36 59.47 2kk0 h GLU 120 Cb 1.05 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.27 2kk0 h GLU 120 CO 0.08 -0.08 0.46 0.00 -2.18 0.00 0.00 179.01 177.29 2kk0 h GLU 122 N 0.85 -0.34 0.08 0.00 4.57 -1.12 -3.03 114.58 115.59 2kk0 h GLU 122 Ca 0.32 0.02 -0.25 0.00 -1.18 0.00 0.00 59.36 58.28 2kk0 h GLU 122 Cb 0.13 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 2kk0 h GLU 122 CO -0.16 0.01 -1.14 0.87 -1.18 0.00 0.00 179.01 177.41 2kk0 h LYS 123 N -0.88 0.16 0.00 1.92 1.79 -1.22 -3.43 116.57 114.91 2kk0 h LYS 123 Ca -0.04 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.16 2kk0 h LYS 123 Cb 0.51 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 2kk0 h LYS 123 CO 0.06 1.13 0.00 0.54 -1.08 0.00 0.00 179.45 180.10 2kk0 n ARG 124 N -3.46 0.00 -0.84 3.15 5.12 0.43 -5.06 116.66 116.00 2kk0 n ARG 124 Ca -0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 2kk0 n ARG 124 Cb 0.99 -0.09 0.00 0.00 -1.16 0.00 0.00 32.46 32.20 2kk0 n ARG 124 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kk0 n GLY 125 N 3.09 1.29 0.18 -0.13 0.00 0.68 -4.94 105.19 105.36 2kk0 n GLY 125 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2kk0 n GLY 125 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kk0 h LEU 126 N 0.00 0.07 -9.15 0.99 3.38 -1.87 -3.44 115.31 105.28 2kk0 h LEU 126 Ca 0.00 -0.03 -0.64 0.00 0.09 0.00 0.00 57.88 57.30 2kk0 h LEU 126 Cb 0.41 -0.02 -0.17 0.00 0.09 0.00 0.00 40.66 40.97 2kk0 h LEU 126 CO 0.00 0.50 -0.78 -0.44 0.09 0.00 0.00 178.44 177.81 2kk0 s SER 127 N -6.90 3.72 0.10 -0.43 0.01 -1.26 -4.79 113.70 104.14 2kk0 s SER 127 Ca -0.03 -0.80 0.07 0.00 1.31 0.00 0.00 55.95 56.50 2kk0 s SER 127 Cb 0.14 -0.41 -0.04 0.00 0.21 0.00 0.00 66.02 65.92 2kk0 s SER 127 CO 0.75 0.10 -0.10 0.20 0.41 0.00 0.00 173.24 174.60 2kk0 s ASN 128 N -2.85 4.42 0.58 2.44 0.01 -1.26 -4.87 114.94 113.40 2kk0 s ASN 128 Ca 0.23 -0.37 0.35 0.00 -0.71 0.00 0.00 52.86 52.36 2kk0 s ASN 128 Cb -0.08 -0.85 1.74 0.00 0.41 0.00 0.00 41.25 42.47 2kk0 s ASN 128 CO 0.12 0.18 2.14 1.55 -1.51 0.00 0.00 177.10 179.59 2kk0 h PRO 129 N 3.64 0.00 0.23 -0.60 0.13 -2.01 -1.43 132.00 131.96 2kk0 h PRO 129 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 2kk0 h PRO 129 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2kk0 h PRO 129 CO 0.52 0.05 -0.11 -0.91 -0.23 0.00 0.00 178.00 177.32 2kk0 h ASN 130 N 0.00 -0.27 -0.34 1.44 2.35 -2.02 -3.22 115.58 113.53 2kk0 h ASN 130 Ca -0.00 -0.13 0.01 0.00 -0.55 0.00 0.00 56.30 55.63 2kk0 h ASN 130 Cb 0.28 0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 2kk0 h ASN 130 CO 0.01 0.24 0.23 1.05 -1.65 0.00 0.00 177.43 177.30 2kk0 h GLU 131 N -1.03 0.43 -0.50 0.81 4.11 -1.97 -2.71 114.58 113.71 2kk0 h GLU 131 Ca -0.03 -0.03 0.10 0.00 0.07 0.00 0.00 59.36 59.47 2kk0 h GLU 131 Cb 0.38 -0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.44 2kk0 h GLU 131 CO 0.05 0.28 -0.14 1.25 0.07 0.00 0.00 179.01 180.53 2kk0 h LEU 132 N 0.44 -0.50 -1.18 3.06 5.85 -1.33 0.84 115.31 122.48 2kk0 h LEU 132 Ca 0.13 0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.94 2kk0 h LEU 132 Cb -0.02 0.32 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2kk0 h LEU 132 CO -0.03 -0.18 -0.05 -0.61 -0.34 0.00 0.00 178.44 177.24 2kk0 h GLN 133 N -0.02 0.51 -0.49 1.25 5.75 -1.49 -1.63 115.11 119.00 2kk0 h GLN 133 Ca 0.24 -0.12 -0.10 0.00 -0.15 0.00 0.00 58.65 58.52 2kk0 h GLN 133 Cb 0.38 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.85 2kk0 h GLN 133 CO -0.52 0.57 -0.07 0.00 -2.65 0.00 0.00 178.83 176.16 2kk0 h ALA 134 N 1.47 0.67 0.13 3.38 0.00 -1.21 -0.02 119.26 123.69 2kk0 h ALA 134 Ca 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2kk0 h ALA 134 Cb 0.39 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2kk0 h ALA 134 CO 0.02 0.54 -0.12 0.00 0.00 0.00 0.00 179.25 179.69 2kk0 h ALA 135 N 0.90 -0.25 -0.75 0.00 0.00 -0.46 -2.08 119.26 116.63 2kk0 h ALA 135 Ca 0.13 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2kk0 h ALA 135 Cb 0.61 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2kk0 h ALA 135 CO 0.04 -0.65 0.28 0.82 0.00 0.00 0.00 179.25 179.73 2kk0 h ILE 136 N -0.27 1.25 -0.54 0.00 2.04 -1.26 -0.44 117.51 118.29 2kk0 h ILE 136 Ca 0.00 -0.83 0.09 0.00 1.00 0.00 0.00 64.86 65.12 2kk0 h ILE 136 Cb 0.26 0.38 -0.07 0.00 -0.74 0.00 0.00 36.82 36.65 2kk0 h ILE 136 CO -0.02 0.33 0.15 -0.78 0.00 0.00 0.00 178.15 177.82 2kk0 h ASP 137 N 1.09 0.08 -0.74 1.72 1.82 -0.87 -1.06 116.42 118.46 2kk0 h ASP 137 Ca 0.25 0.08 -0.03 0.00 -0.39 0.00 0.00 57.03 56.94 2kk0 h ASP 137 Cb 0.24 0.10 -0.03 0.00 0.68 0.00 0.00 39.33 40.31 2kk0 h ASP 137 CO -0.02 0.07 0.34 0.28 -1.61 0.00 0.00 179.24 178.30 2kk0 h SER 138 N 0.30 0.98 -0.27 2.28 0.02 -0.78 -1.70 113.55 114.37 2kk0 h SER 138 Ca 0.27 -0.14 0.04 0.00 -0.84 0.00 0.00 61.79 61.11 2kk0 h SER 138 Cb 0.35 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 2kk0 h SER 138 CO -0.32 0.85 0.19 0.78 -1.14 0.00 0.00 176.83 177.19 2kk0 h ASN 139 N 1.05 0.18 0.03 3.07 -0.26 0.12 0.21 115.58 119.98 2kk0 h ASN 139 Ca 0.25 -0.00 -0.19 0.00 -0.56 0.00 0.00 56.30 55.80 2kk0 h ASN 139 Cb 0.14 -0.04 0.02 0.00 -1.06 0.00 0.00 38.32 37.38 2kk0 h ASN 139 CO -0.03 0.13 -0.76 0.03 -1.06 0.00 0.00 177.43 175.73 2kk0 h ARG 140 N 0.21 0.47 -0.05 0.81 3.08 -1.00 -3.31 114.38 114.60 2kk0 h ARG 140 Ca 0.12 -0.54 -0.01 0.00 0.07 0.00 0.00 59.98 59.61 2kk0 h ARG 140 Cb 0.20 0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 2kk0 h ARG 140 CO -0.02 1.19 -0.04 -0.09 -1.07 0.00 0.00 179.97 179.94 2kk0 h ARG 141 N -0.01 0.07 0.00 0.04 2.43 -0.25 -0.86 114.38 115.79 2kk0 h ARG 141 Ca -0.10 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 2kk0 h ARG 141 Cb 1.48 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.01 2kk0 h ARG 141 CO 0.15 0.11 0.00 0.93 -1.51 0.00 0.00 179.97 179.65 2kk0 h GLU 142 N 0.07 0.00 -3.30 0.20 5.08 -0.73 -3.36 114.58 112.54 2kk0 h GLU 142 Ca 0.02 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.74 2kk0 h GLU 142 Cb 0.12 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 28.95 2kk0 h GLU 142 CO 0.01 0.00 -0.63 0.20 -1.00 0.00 0.00 179.01 177.58 2kk0 s GLY 143 N -3.60 2.44 0.26 -3.84 0.00 -0.33 -5.08 107.32 97.17 2kk0 s GLY 143 Ca 0.03 -3.29 0.02 0.00 0.00 0.00 0.00 44.72 41.48 2kk0 s GLY 143 CO 0.38 1.07 0.18 1.09 0.00 0.00 0.00 173.10 175.82 2kk0 s ARG 144 N -0.40 1.44 0.00 2.90 1.04 -1.26 -4.96 118.95 117.70 2kk0 s ARG 144 Ca 0.18 -1.80 0.30 0.00 -1.04 0.00 0.00 55.73 53.37 2kk0 s ARG 144 Cb -0.23 0.19 1.42 0.00 -2.04 0.00 0.00 34.95 34.29 2kk0 s ARG 144 CO -0.02 -0.47 1.95 0.54 -0.04 0.00 0.00 175.30 177.26