#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk0 s GLY 2 N 0.00 1.33 -0.17 3.03 0.00 -1.26 -5.12 107.32 105.13 2kk0 s GLY 2 Ca 0.00 -1.55 -0.29 0.00 0.00 0.00 0.00 44.72 42.88 2kk0 s GLY 2 CO 0.00 -1.22 1.51 0.30 0.00 0.00 0.00 173.10 173.69 2kk0 s HIS 3 N -4.00 2.31 -0.01 1.90 4.02 -1.26 -4.97 115.29 113.28 2kk0 s HIS 3 Ca 0.35 0.59 -0.30 0.00 1.02 0.00 0.00 55.06 56.73 2kk0 s HIS 3 Cb 0.04 -3.84 -0.03 0.00 -1.02 0.00 0.00 32.58 27.74 2kk0 s HIS 3 CO 0.13 -2.76 0.98 -1.01 1.02 0.00 0.00 174.74 173.10 2kk0 s HIS 4 N 4.39 3.65 -0.45 1.40 0.09 -1.26 -5.02 115.29 118.09 2kk0 s HIS 4 Ca 0.66 1.68 -0.18 0.00 -0.00 0.00 0.00 55.06 57.23 2kk0 s HIS 4 Cb -0.26 -3.12 0.04 0.00 -0.00 0.00 0.00 32.58 29.24 2kk0 s HIS 4 CO 0.25 -0.03 0.48 -1.58 -0.00 0.00 0.00 174.74 173.86 2kk0 s HIS 5 N 1.08 3.15 0.00 1.40 5.04 -1.26 -5.06 115.29 119.64 2kk0 s HIS 5 Ca 0.51 -0.46 0.05 0.00 -1.54 0.00 0.00 55.06 53.63 2kk0 s HIS 5 Cb -0.21 -3.07 -0.03 0.00 0.04 0.00 0.00 32.58 29.31 2kk0 s HIS 5 CO 0.27 -0.79 -0.16 -1.01 -2.34 0.00 0.00 174.74 170.72 2kk0 s HIS 6 N 2.20 2.63 -0.84 3.88 0.09 -1.26 -5.05 115.29 116.94 2kk0 s HIS 6 Ca 0.12 -0.21 -0.25 0.00 -0.00 0.00 0.00 55.06 54.72 2kk0 s HIS 6 Cb -0.18 -1.54 -0.09 0.00 -0.00 0.00 0.00 32.58 30.77 2kk0 s HIS 6 CO 0.13 0.23 2.15 -1.01 -0.00 0.00 0.00 174.74 176.24 2kk0 s HIS 7 N -0.85 1.50 -0.73 1.40 0.09 -1.26 -4.82 115.29 110.62 2kk0 s HIS 7 Ca 0.14 1.24 -0.06 0.00 -0.00 0.00 0.00 55.06 56.38 2kk0 s HIS 7 Cb -0.11 -3.77 -0.03 0.00 -0.00 0.00 0.00 32.58 28.67 2kk0 s HIS 7 CO 0.04 -1.69 2.92 -2.39 -0.00 0.00 0.00 174.74 173.62 2kk0 n HIS 8 N 16.05 1.57 0.00 1.40 -0.00 -1.26 -4.84 115.22 128.14 2kk0 n HIS 8 Ca 0.43 -2.22 0.00 0.00 -0.00 0.00 0.00 57.72 55.93 2kk0 n HIS 8 Cb 0.45 -1.71 0.00 0.00 -0.00 0.00 0.00 29.99 28.73 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 1.88 0.00 -0.68 4.39 2.88 -1.26 -5.07 113.62 115.76 2kk0 n SER 9 Ca 0.55 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 58.06 2kk0 n SER 9 Cb 0.52 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.95 2kk0 n SER 9 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2kk0 n HIS 10 N -0.04 0.00 -1.17 0.66 -0.00 -1.26 -5.16 115.22 108.25 2kk0 n HIS 10 Ca 0.00 -0.23 -0.30 0.00 -0.00 0.00 0.00 57.72 57.19 2kk0 n HIS 10 Cb 0.00 0.36 0.14 0.00 -0.00 0.00 0.00 29.99 30.48 2kk0 n HIS 10 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kk0 s MET 11 N 0.00 1.33 -0.68 1.57 0.00 -1.26 -4.88 119.30 115.37 2kk0 s MET 11 Ca 0.00 0.90 -0.26 0.00 0.00 0.00 0.00 55.69 56.33 2kk0 s MET 11 Cb 0.00 -1.81 -0.10 0.00 0.00 0.00 0.00 34.83 32.92 2kk0 s MET 11 CO 0.00 -2.21 2.32 -1.25 0.00 0.00 0.00 175.02 173.88 2kk0 s PRO 12 N -4.91 1.94 0.45 3.16 0.04 -1.26 -4.74 135.00 129.68 2kk0 s PRO 12 Ca 0.63 0.75 0.24 0.00 0.04 0.00 0.00 61.00 62.67 2kk0 s PRO 12 Cb -0.18 -4.71 0.55 0.00 0.04 0.00 0.00 34.50 30.20 2kk0 s PRO 12 CO 0.57 -3.81 1.68 0.38 0.04 0.00 0.00 177.00 175.86 2kk0 h ASP 13 N 15.23 0.00 -3.27 6.66 2.03 -1.98 -3.44 116.42 131.64 2kk0 h ASP 13 Ca -0.10 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.64 2kk0 h ASP 13 Cb 1.11 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.57 2kk0 h ASP 13 CO 1.10 0.07 -0.13 -1.00 -1.03 0.00 0.00 179.24 178.25 2kk0 s HIS 14 N -3.30 3.59 0.00 4.15 3.76 -1.26 -4.80 115.29 117.43 2kk0 s HIS 14 Ca 0.05 0.98 0.00 0.00 -0.15 0.00 0.00 55.06 55.94 2kk0 s HIS 14 Cb 0.06 -2.31 0.00 0.00 1.11 0.00 0.00 32.58 31.45 2kk0 s HIS 14 CO 0.65 0.44 0.00 0.41 -0.85 0.00 0.00 174.74 175.40 2kk0 n GLY 15 N 0.78 0.50 3.56 -2.22 0.00 -1.26 -4.81 105.19 101.75 2kk0 n GLY 15 Ca -0.06 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 2kk0 n GLY 15 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kk0 s ASP 16 N -1.09 5.61 0.05 1.61 1.11 -1.26 -4.91 116.67 117.80 2kk0 s ASP 16 Ca 0.00 0.41 -0.26 0.00 0.18 0.00 0.00 52.55 52.89 2kk0 s ASP 16 Cb 0.00 -2.53 -0.13 0.00 1.07 0.00 0.00 42.92 41.33 2kk0 s ASP 16 CO 0.00 -2.09 1.39 -0.50 1.18 0.00 0.00 175.17 175.15 2kk0 h TRP 17 N 13.44 -0.97 -1.70 4.23 6.55 -2.03 -3.43 115.95 132.05 2kk0 h TRP 17 Ca -0.27 -0.00 -0.15 0.00 0.95 0.00 0.00 58.89 59.42 2kk0 h TRP 17 Cb 1.14 0.36 -0.28 0.00 -0.86 0.00 0.00 29.16 29.52 2kk0 h TRP 17 CO 1.03 -0.50 -0.49 -0.08 -1.05 0.00 0.00 178.44 177.35 2kk0 s THR 18 N -5.03 -0.66 0.03 1.49 -1.32 -1.26 -5.10 115.64 103.79 2kk0 s THR 18 Ca -0.13 -0.19 0.01 0.00 -1.21 0.00 0.00 61.69 60.17 2kk0 s THR 18 Cb 0.03 -0.93 -0.02 0.00 -1.51 0.00 0.00 72.50 70.06 2kk0 s THR 18 CO 0.42 -0.20 -0.05 -0.31 -2.21 0.00 0.00 174.62 172.27 2kk0 s TYR 19 N 2.58 0.46 -0.45 9.09 2.02 -1.26 -5.02 117.35 124.76 2kk0 s TYR 19 Ca 0.11 -0.52 0.23 0.00 -0.37 0.00 0.00 57.07 56.52 2kk0 s TYR 19 Cb -0.13 -0.29 0.35 0.00 -0.40 0.00 0.00 41.96 41.48 2kk0 s TYR 19 CO -0.25 -0.14 1.55 1.05 -1.57 0.00 0.00 175.55 176.20 2kk0 h GLU 20 N 4.56 0.00 -6.26 -0.62 4.11 -2.02 -3.45 114.58 110.90 2kk0 h GLU 20 Ca -0.34 0.00 -0.55 0.00 0.07 0.00 0.00 59.36 58.54 2kk0 h GLU 20 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2kk0 h GLU 20 CO 0.41 0.00 1.06 -1.21 0.07 0.00 0.00 179.01 179.34 2kk0 s GLU 21 N -3.22 4.19 0.29 1.06 2.02 -1.26 -4.96 118.70 116.83 2kk0 s GLU 21 Ca 0.06 2.13 -0.30 0.00 0.02 0.00 0.00 54.97 56.89 2kk0 s GLU 21 Cb 0.06 -3.94 -0.12 0.00 0.10 0.00 0.00 34.13 30.23 2kk0 s GLU 21 CO 0.68 -0.82 1.51 0.94 0.02 0.00 0.00 175.26 177.59 2kk0 n GLN 22 N 6.98 2.48 -1.57 1.61 -0.06 -1.26 -4.81 117.38 120.75 2kk0 n GLN 22 Ca 0.17 0.88 -0.23 0.00 -2.00 0.00 0.00 57.00 55.82 2kk0 n GLN 22 Cb 0.43 -2.61 -0.05 0.00 -4.06 0.00 0.00 30.24 23.95 2kk0 n GLN 22 CO 0.00 0.00 0.00 0.12 -0.20 0.00 0.00 177.06 176.98 2kk0 s PHE 23 N -0.26 1.11 0.26 3.69 5.36 -1.26 -4.80 117.98 122.08 2kk0 s PHE 23 Ca 0.63 1.83 -0.02 0.00 -0.96 0.00 0.00 56.93 58.41 2kk0 s PHE 23 Cb -0.54 -3.49 0.34 0.00 -0.34 0.00 0.00 43.02 38.99 2kk0 s PHE 23 CO 0.52 -1.96 1.75 -0.22 -1.46 0.00 0.00 175.22 173.85 2kk0 h LYS 24 N 15.50 0.75 -0.55 10.12 1.63 -2.02 -3.29 116.57 138.71 2kk0 h LYS 24 Ca -0.10 -0.21 0.11 0.00 -0.85 0.00 0.00 60.65 59.60 2kk0 h LYS 24 Cb 1.11 -0.08 -0.09 0.00 -0.60 0.00 0.00 32.23 32.57 2kk0 h LYS 24 CO 1.07 0.79 0.00 0.37 -3.45 0.00 0.00 179.45 178.23 2kk0 h GLN 25 N 0.70 0.12 -0.13 1.90 5.75 -1.94 0.37 115.11 121.89 2kk0 h GLN 25 Ca 0.13 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.66 2kk0 h GLN 25 Cb 0.49 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.01 2kk0 h GLN 25 CO 0.02 0.08 0.10 -0.07 -2.65 0.00 0.00 178.83 176.31 2kk0 h LEU 26 N 0.12 0.00 0.13 -2.39 3.38 -1.98 -1.30 115.31 113.27 2kk0 h LEU 26 Ca 0.28 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.05 2kk0 h LEU 26 Cb 0.44 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.20 2kk0 h LEU 26 CO -0.46 0.00 -0.95 1.88 0.09 0.00 0.00 178.44 179.00 2kk0 h TYR 27 N 0.00 0.51 -0.67 1.13 0.05 -1.15 -3.35 116.97 113.49 2kk0 h TYR 27 Ca 0.06 -0.37 -0.34 0.00 0.05 0.00 0.00 58.73 58.13 2kk0 h TYR 27 Cb 0.25 -0.02 -0.20 0.00 1.01 0.00 0.00 36.73 37.77 2kk0 h TYR 27 CO 0.00 1.37 0.43 0.39 -1.05 0.00 0.00 178.16 179.29 2kk0 n GLU 28 N -4.09 1.99 0.09 4.88 1.02 -0.56 -4.04 120.64 119.94 2kk0 n GLU 28 Ca -0.17 -2.09 -0.12 0.00 -0.02 0.00 0.00 57.16 54.76 2kk0 n GLU 28 Cb 0.84 -1.83 -0.05 0.00 -0.02 0.00 0.00 31.44 30.37 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 1.12 -0.69 -0.93 -4.62 3.38 -1.39 -3.30 115.31 108.87 2kk0 h LEU 29 Ca 0.41 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.47 2kk0 h LEU 29 Cb 2.25 0.27 0.00 0.00 0.09 0.00 0.00 40.66 43.27 2kk0 h LEU 29 CO 0.74 -0.32 -0.01 0.47 0.09 0.00 0.00 178.44 179.41 2kk0 n ASP 30 N -5.36 0.98 -0.88 -0.43 8.00 -1.26 -4.98 116.55 112.63 2kk0 n ASP 30 Ca -0.06 -0.99 -0.11 0.00 0.71 0.00 0.00 54.79 54.34 2kk0 n ASP 30 Cb 0.27 0.12 -0.05 0.00 -0.02 0.00 0.00 41.12 41.44 2kk0 n ASP 30 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kk0 n GLY 31 N 0.18 1.26 3.74 0.44 0.00 -1.25 -4.99 105.19 104.58 2kk0 n GLY 31 Ca 0.01 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.83 6.89 0.30 1.61 -1.08 -1.26 -4.96 116.67 115.34 2kk0 s ASP 32 Ca 0.00 2.45 0.01 0.00 -0.52 0.00 0.00 52.55 54.49 2kk0 s ASP 32 Cb 0.00 -2.62 0.47 0.00 -1.46 0.00 0.00 42.92 39.31 2kk0 s ASP 32 CO 0.00 -0.51 1.83 1.55 0.52 0.00 0.00 175.17 178.56 2kk0 h PRO 33 N 4.90 0.68 0.00 4.34 0.13 -1.94 -2.41 132.00 137.70 2kk0 h PRO 33 Ca -0.46 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 2kk0 h PRO 33 Cb 1.22 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2kk0 h PRO 33 CO 0.74 0.68 0.00 0.87 -0.23 0.00 0.00 178.00 180.06 2kk0 h LYS 34 N 0.65 0.00 0.28 0.86 1.57 -2.00 -3.34 116.57 114.60 2kk0 h LYS 34 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2kk0 h LYS 34 Cb 0.35 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 2kk0 h LYS 34 CO 0.01 0.00 -0.33 -0.09 -0.57 0.00 0.00 179.45 178.47 2kk0 h ARG 35 N 0.00 -0.63 0.00 3.15 9.65 -1.78 -0.95 114.38 123.82 2kk0 h ARG 35 Ca 0.00 0.04 -0.10 0.00 -1.10 0.00 0.00 59.98 58.82 2kk0 h ARG 35 Cb 0.72 0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.43 2kk0 h ARG 35 CO 0.00 -0.42 -0.48 1.57 2.80 0.00 0.00 179.97 183.44 2kk0 h LYS 36 N -0.66 0.00 0.04 0.20 -0.00 -1.69 -2.65 116.57 111.81 2kk0 h LYS 36 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.64 2kk0 h LYS 36 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.85 2kk0 h LYS 36 CO -0.10 0.48 -0.02 0.93 -0.00 0.00 0.00 179.45 180.74 2kk0 h GLU 37 N 0.00 -0.05 -0.12 0.07 5.08 -1.58 0.16 114.58 118.14 2kk0 h GLU 37 Ca -0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2kk0 h GLU 37 Cb 0.86 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 2kk0 h GLU 37 CO 0.06 0.11 0.01 0.35 -1.00 0.00 0.00 179.01 178.54 2kk0 h PHE 38 N -0.20 0.01 -0.37 4.33 3.57 -1.14 -0.51 116.94 122.63 2kk0 h PHE 38 Ca -0.01 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 2kk0 h PHE 38 Cb 0.18 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 2kk0 h PHE 38 CO -0.03 -0.00 0.16 -0.07 -2.23 0.00 0.00 178.31 176.14 2kk0 h LEU 39 N 0.06 0.50 -0.12 0.59 3.38 -1.40 0.22 115.31 118.54 2kk0 h LEU 39 Ca 0.06 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2kk0 h LEU 39 Cb 0.06 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2kk0 h LEU 39 CO -0.09 0.52 0.08 -0.78 0.09 0.00 0.00 178.44 178.25 2kk0 h ASP 40 N 0.46 0.14 -0.73 -0.43 3.58 -0.57 0.18 116.42 119.05 2kk0 h ASP 40 Ca 0.13 -0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.50 2kk0 h ASP 40 Cb 0.16 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.14 2kk0 h ASP 40 CO -0.01 0.13 0.27 -0.78 -2.88 0.00 0.00 179.24 175.98 2kk0 h ASP 41 N 0.14 1.02 0.74 2.28 3.58 -0.99 -2.60 116.42 120.60 2kk0 h ASP 41 Ca 0.04 -0.18 -0.04 0.00 0.42 0.00 0.00 57.03 57.28 2kk0 h ASP 41 Cb 0.01 -0.26 0.01 0.00 1.72 0.00 0.00 39.33 40.81 2kk0 h ASP 41 CO -0.01 0.92 -0.36 0.25 -2.88 0.00 0.00 179.24 177.17 2kk0 h LEU 42 N 1.05 -0.84 -0.26 2.28 5.85 -0.27 0.16 115.31 123.27 2kk0 h LEU 42 Ca 0.24 0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.03 2kk0 h LEU 42 Cb 0.24 0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.43 2kk0 h LEU 42 CO -0.02 -0.55 -0.11 -0.26 -0.34 0.00 0.00 178.44 177.16 2kk0 h PHE 43 N -1.09 -0.27 -0.48 1.25 -1.00 -1.00 0.01 116.94 114.37 2kk0 h PHE 43 Ca -0.10 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.66 2kk0 h PHE 43 Cb 0.78 0.16 -0.02 0.00 3.61 0.00 0.00 35.95 40.48 2kk0 h PHE 43 CO -0.01 -0.17 0.10 0.77 -1.61 0.00 0.00 178.31 177.39 2kk0 h SER 44 N -0.07 0.69 0.96 2.17 0.02 -1.49 -0.86 113.55 114.97 2kk0 h SER 44 Ca 0.14 -0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 2kk0 h SER 44 Cb 0.28 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 62.65 2kk0 h SER 44 CO -0.31 0.70 -0.46 0.15 -1.14 0.00 0.00 176.83 175.76 2kk0 h PHE 45 N 0.71 -1.19 -0.18 3.45 3.04 0.53 -2.02 116.94 121.28 2kk0 h PHE 45 Ca 0.16 -0.03 -0.08 0.00 3.98 0.00 0.00 57.97 62.00 2kk0 h PHE 45 Cb 0.29 0.39 -0.01 0.00 2.56 0.00 0.00 35.95 39.18 2kk0 h PHE 45 CO 0.02 -0.74 -0.24 0.00 -2.02 0.00 0.00 178.31 175.32 2kk0 h MET 46 N -1.30 0.33 0.23 1.11 -0.00 -1.05 -3.13 114.93 111.13 2kk0 h MET 46 Ca -0.13 -0.11 -0.01 0.00 -0.00 0.00 0.00 59.70 59.45 2kk0 h MET 46 Cb 0.99 -0.03 0.00 0.00 -0.00 0.00 0.00 31.60 32.56 2kk0 h MET 46 CO 0.22 0.56 -0.11 0.37 -0.00 0.00 0.00 176.91 177.94 2kk0 h GLN 47 N 0.30 -0.30 0.00 -0.10 4.15 -1.11 0.24 115.11 118.28 2kk0 h GLN 47 Ca 0.05 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 2kk0 h GLN 47 Cb 0.59 0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.35 2kk0 h GLN 47 CO 0.04 -0.19 -0.07 0.87 -1.93 0.00 0.00 178.83 177.56 2kk0 h LYS 48 N -0.33 0.00 -0.01 1.69 1.57 -1.30 -0.23 116.57 117.96 2kk0 h LYS 48 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2kk0 h LYS 48 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2kk0 h LYS 48 CO 0.05 0.07 -0.09 2.89 -0.57 0.00 0.00 179.45 181.80 2kk0 n ARG 49 N -3.56 1.42 0.00 3.15 1.85 -1.17 -4.94 116.66 113.42 2kk0 n ARG 49 Ca -0.02 -0.86 0.00 0.00 -1.00 0.00 0.00 57.85 55.97 2kk0 n ARG 49 Cb 0.18 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 30.11 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 1.24 1.83 2.67 2.89 0.00 -0.10 -5.08 105.19 108.64 2kk0 n GLY 50 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.36 0.82 2.61 -1.32 0.06 -5.01 115.64 110.44 2kk0 s THR 51 Ca 0.00 -1.48 -0.11 0.00 -1.21 0.00 0.00 61.69 58.89 2kk0 s THR 51 Cb 0.00 -0.61 0.11 0.00 -1.51 0.00 0.00 72.50 70.49 2kk0 s THR 51 CO 0.00 -0.58 1.17 -2.16 -2.21 0.00 0.00 174.62 170.83 2kk0 s PRO 52 N 0.83 1.68 -0.61 7.08 0.04 -1.26 -3.34 135.00 139.42 2kk0 s PRO 52 Ca 0.26 -0.16 -0.27 0.00 0.04 0.00 0.00 61.00 60.88 2kk0 s PRO 52 Cb -0.04 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.54 2kk0 s PRO 52 CO -0.09 -1.71 1.16 0.08 0.04 0.00 0.00 177.00 176.48 2kk0 s VAL 53 N -3.56 4.04 -0.08 -0.36 1.01 -1.26 -4.91 120.40 115.27 2kk0 s VAL 53 Ca 0.65 0.63 -0.00 0.00 0.00 0.00 0.00 61.98 63.26 2kk0 s VAL 53 Cb -0.09 -4.73 -0.00 0.00 0.00 0.00 0.00 36.38 31.56 2kk0 s VAL 53 CO 0.49 -1.41 0.00 0.78 0.00 0.00 0.00 175.10 174.96 2kk0 h ASN 54 N 9.60 -0.00 -3.44 3.32 2.35 -2.02 -3.48 115.58 121.92 2kk0 h ASN 54 Ca -0.26 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.25 2kk0 h ASN 54 Cb 1.06 0.00 -0.32 0.00 0.05 0.00 0.00 38.32 39.11 2kk0 h ASN 54 CO 1.19 0.41 -0.59 0.00 -1.65 0.00 0.00 177.43 176.78 2kk0 s ARG 55 N -1.46 0.10 0.09 0.81 1.70 -1.26 -5.15 118.95 113.78 2kk0 s ARG 55 Ca -0.00 0.37 -0.30 0.00 -0.47 0.00 0.00 55.73 55.33 2kk0 s ARG 55 Cb 0.00 -0.17 -0.06 0.00 -0.57 0.00 0.00 34.95 34.15 2kk0 s ARG 55 CO 0.00 -0.16 1.11 0.42 -1.08 0.00 0.00 175.30 175.59 2kk0 s ILE 56 N 1.15 4.15 0.14 4.99 1.01 -1.26 -5.00 121.20 126.37 2kk0 s ILE 56 Ca -0.09 1.65 -0.31 0.00 0.00 0.00 0.00 60.65 61.90 2kk0 s ILE 56 Cb -0.11 -4.05 -0.09 0.00 0.01 0.00 0.00 42.46 38.22 2kk0 s ILE 56 CO -0.06 0.19 1.45 -2.16 0.00 0.00 0.00 174.94 174.36 2kk0 s PRO 57 N 0.51 4.28 -0.22 2.79 0.04 -1.26 -4.97 135.00 136.17 2kk0 s PRO 57 Ca 0.54 2.19 -0.09 0.00 0.04 0.00 0.00 61.00 63.68 2kk0 s PRO 57 Cb -0.28 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.02 2kk0 s PRO 57 CO 0.31 -0.49 0.10 0.42 0.04 0.00 0.00 177.00 177.38 2kk0 s ILE 58 N 1.04 4.88 -0.01 0.56 -1.09 -1.26 -2.43 121.20 122.88 2kk0 s ILE 58 Ca 0.66 0.01 0.04 0.00 -2.23 0.00 0.00 60.65 59.13 2kk0 s ILE 58 Cb -0.40 -3.25 -0.01 0.00 -1.58 0.00 0.00 42.46 37.22 2kk0 s ILE 58 CO 0.31 0.38 -0.14 -0.32 -1.23 0.00 0.00 174.94 173.95 2kk0 s MET 59 N 0.97 1.11 -1.79 2.79 -2.45 0.44 -4.79 119.30 115.58 2kk0 s MET 59 Ca 0.05 -0.50 0.00 0.00 -1.25 0.00 0.00 55.69 53.99 2kk0 s MET 59 Cb -0.14 -1.07 0.00 0.00 1.25 0.00 0.00 34.83 34.87 2kk0 s MET 59 CO 0.03 0.29 0.00 0.00 1.05 0.00 0.00 175.02 176.40 2kk0 n ALA 60 N 2.70 -0.61 -1.06 4.11 0.00 -1.26 -1.01 120.51 123.38 2kk0 n ALA 60 Ca -0.14 0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.45 2kk0 n ALA 60 Cb 0.55 -2.17 -0.01 0.00 0.00 0.00 0.00 19.45 17.82 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 -2.98 -1.06 -4.52 0.00 4.76 -1.26 -4.99 118.16 108.11 2kk0 n LYS 61 Ca -0.24 0.39 -0.25 0.00 -2.87 0.00 0.00 58.31 55.34 2kk0 n LYS 61 Cb 0.69 -4.25 -0.09 0.00 -1.84 0.00 0.00 35.03 29.53 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 -1.44 1.85 0.33 1.97 -2.07 -0.18 -5.01 119.66 115.10 2kk0 s GLN 62 Ca 0.00 -2.09 -0.27 0.00 -1.82 0.00 0.00 55.36 51.18 2kk0 s GLN 62 Cb 0.00 -0.83 -0.09 0.00 -1.09 0.00 0.00 33.01 30.99 2kk0 s GLN 62 CO 0.00 -0.34 1.04 0.54 -1.32 0.00 0.00 175.29 175.21 2kk0 s VAL 63 N -3.20 3.74 -0.46 3.63 0.11 -1.26 -0.42 120.40 122.53 2kk0 s VAL 63 Ca 0.27 1.54 -0.29 0.00 -2.93 0.00 0.00 61.98 60.57 2kk0 s VAL 63 Cb 0.05 -3.90 0.01 0.00 -1.53 0.00 0.00 36.38 31.02 2kk0 s VAL 63 CO 0.14 0.21 1.39 -0.22 -3.33 0.00 0.00 175.10 173.29 2kk0 s LEU 64 N -1.96 3.54 -1.02 2.54 2.96 -1.02 -4.75 118.68 118.97 2kk0 s LEU 64 Ca 0.50 0.64 -0.27 0.00 -0.22 0.00 0.00 54.13 54.78 2kk0 s LEU 64 Cb -0.26 -3.41 -0.21 0.00 0.50 0.00 0.00 46.19 42.81 2kk0 s LEU 64 CO 0.32 -1.50 2.19 -1.81 -1.32 0.00 0.00 176.35 174.24 2kk0 s ASP 65 N 3.96 3.47 0.25 3.68 1.11 -1.26 -4.77 116.67 123.10 2kk0 s ASP 65 Ca 0.58 -0.72 -0.04 0.00 0.18 0.00 0.00 52.55 52.55 2kk0 s ASP 65 Cb -0.12 -2.59 0.43 0.00 1.07 0.00 0.00 42.92 41.71 2kk0 s ASP 65 CO 0.31 -4.64 1.80 -0.07 1.18 0.00 0.00 175.17 173.74 2kk0 h LEU 66 N 22.60 0.63 -0.10 1.23 3.38 -1.97 0.18 115.31 141.26 2kk0 h LEU 66 Ca 0.00 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2kk0 h LEU 66 Cb 1.00 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 2kk0 h LEU 66 CO 1.00 0.34 -0.05 0.15 0.09 0.00 0.00 178.44 179.97 2kk0 h PHE 67 N 0.74 -0.12 -0.21 1.13 3.57 -1.94 -1.03 116.94 119.08 2kk0 h PHE 67 Ca 0.41 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.76 2kk0 h PHE 67 Cb 0.43 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 2kk0 h PHE 67 CO -0.07 -0.08 -0.52 0.52 -2.23 0.00 0.00 178.31 175.93 2kk0 h MET 68 N -0.04 0.61 -0.43 1.11 2.86 -1.84 -2.70 114.93 114.49 2kk0 h MET 68 Ca 0.06 -0.36 0.08 0.00 -2.06 0.00 0.00 59.70 57.41 2kk0 h MET 68 Cb 0.13 0.04 -0.07 0.00 0.06 0.00 0.00 31.60 31.76 2kk0 h MET 68 CO -0.13 0.97 0.04 1.25 1.06 0.00 0.00 176.91 180.11 2kk0 h LEU 69 N 0.47 -0.09 -0.30 1.22 5.85 -0.41 -0.96 115.31 121.11 2kk0 h LEU 69 Ca 0.02 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.85 2kk0 h LEU 69 Cb 1.06 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 2kk0 h LEU 69 CO 0.10 -0.01 0.12 0.22 -0.34 0.00 0.00 178.44 178.53 2kk0 h TYR 70 N 0.16 0.22 -0.18 1.25 3.20 -1.06 -1.52 116.97 119.04 2kk0 h TYR 70 Ca 0.21 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.14 2kk0 h TYR 70 Cb 0.29 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 2kk0 h TYR 70 CO -0.25 0.11 -0.06 0.28 -1.64 0.00 0.00 178.16 176.61 2kk0 h VAL 71 N 0.26 0.79 -0.60 1.81 2.07 -1.07 -0.83 116.25 118.69 2kk0 h VAL 71 Ca 0.13 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.55 2kk0 h VAL 71 Cb 0.08 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2kk0 h VAL 71 CO -0.11 0.00 -0.01 -0.07 0.02 0.00 0.00 177.57 177.40 2kk0 h LEU 72 N -0.02 1.03 -0.11 2.57 -0.00 -1.04 -2.79 115.31 114.96 2kk0 h LEU 72 Ca 0.09 -0.30 -0.09 0.00 -0.00 0.00 0.00 57.88 57.58 2kk0 h LEU 72 Cb 0.15 -0.28 0.00 0.00 -0.00 0.00 0.00 40.66 40.54 2kk0 h LEU 72 CO -0.19 1.09 -0.29 0.58 -0.00 0.00 0.00 178.44 179.63 2kk0 h VAL 73 N 0.96 1.39 -0.83 1.22 2.07 -1.13 -3.29 116.25 116.63 2kk0 h VAL 73 Ca 0.17 -1.60 -0.04 0.00 0.82 0.00 0.00 66.70 66.05 2kk0 h VAL 73 Cb 0.56 2.14 -0.04 0.00 -1.52 0.00 0.00 31.29 32.44 2kk0 h VAL 73 CO 0.03 0.47 0.37 0.71 0.02 0.00 0.00 177.57 179.17 2kk0 h THR 74 N -0.05 1.26 0.00 2.57 1.35 -1.18 -2.22 112.91 114.64 2kk0 h THR 74 Ca -0.01 -0.78 -0.01 0.00 -0.55 0.00 0.00 66.41 65.07 2kk0 h THR 74 Cb 0.90 0.23 -0.00 0.00 -1.73 0.00 0.00 68.15 67.54 2kk0 h THR 74 CO 0.06 0.33 -0.05 1.05 -0.25 0.00 0.00 175.52 176.66 2kk0 h GLU 75 N 1.20 0.00 0.00 4.72 4.11 -1.58 -1.20 114.58 121.82 2kk0 h GLU 75 Ca 0.28 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.64 2kk0 h GLU 75 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2kk0 h GLU 75 CO -0.03 0.05 -0.38 0.87 0.07 0.00 0.00 179.01 179.59 2kk0 h LYS 76 N 0.00 0.00 0.00 1.06 1.79 -1.48 -3.47 116.57 114.47 2kk0 h LYS 76 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2kk0 h LYS 76 Cb 0.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 2kk0 h LYS 76 CO 0.01 0.34 0.00 0.41 -1.08 0.00 0.00 179.45 179.13 2kk0 n GLY 77 N 1.19 -0.10 0.00 3.86 0.00 -0.45 -4.84 105.19 104.85 2kk0 n GLY 77 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 2.16 0.42 -0.02 0.00 -0.97 -4.56 105.19 102.20 2kk0 n GLY 78 Ca 0.00 -2.09 -0.14 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.35 -0.86 0.99 5.85 -1.97 -0.89 115.31 117.09 2kk0 h LEU 79 Ca 0.00 0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.97 2kk0 h LEU 79 Cb 0.00 0.53 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 2kk0 h LEU 79 CO 0.00 -0.46 0.51 0.58 -0.34 0.00 0.00 178.44 178.73 2kk0 h VAL 80 N -0.57 0.96 -0.22 1.05 2.07 -1.94 0.00 116.25 117.59 2kk0 h VAL 80 Ca 0.05 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.28 2kk0 h VAL 80 Cb 0.66 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 2kk0 h VAL 80 CO -0.34 0.16 0.10 -0.08 0.02 0.00 0.00 177.57 177.43 2kk0 h GLU 81 N 0.88 0.22 -0.77 1.57 4.57 -1.66 -1.11 114.58 118.28 2kk0 h GLU 81 Ca 0.40 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.53 2kk0 h GLU 81 Cb 0.30 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 2kk0 h GLU 81 CO -0.22 0.15 0.35 0.28 -1.18 0.00 0.00 179.01 178.38 2kk0 h VAL 82 N 0.23 1.25 -0.72 0.32 2.07 -0.38 0.59 116.25 119.60 2kk0 h VAL 82 Ca 0.09 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 66.90 2kk0 h VAL 82 Cb 0.03 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.06 2kk0 h VAL 82 CO -0.07 0.31 0.46 0.40 0.02 0.00 0.00 177.57 178.69 2kk0 h ILE 83 N 1.10 1.13 -0.31 4.57 2.04 -0.71 0.40 117.51 125.73 2kk0 h ILE 83 Ca 0.26 -0.32 -0.13 0.00 1.00 0.00 0.00 64.86 65.67 2kk0 h ILE 83 Cb 0.15 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 2kk0 h ILE 83 CO -0.03 0.17 -0.32 0.78 0.00 0.00 0.00 178.15 178.74 2kk0 h ASN 84 N 0.92 0.82 1.47 1.72 2.35 -0.87 -3.20 115.58 118.78 2kk0 h ASN 84 Ca 0.28 -0.48 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 2kk0 h ASN 84 Cb -0.02 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.11 2kk0 h ASN 84 CO -0.09 1.13 0.00 0.11 -1.65 0.00 0.00 177.43 176.92 2kk0 h LYS 85 N 0.52 0.00 0.00 0.81 1.79 -0.57 -3.47 116.57 115.65 2kk0 h LYS 85 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 2kk0 h LYS 85 Cb 0.90 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.55 2kk0 h LYS 85 CO 0.08 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 180.08 2kk0 n LYS 86 N -2.72 -1.70 -0.03 3.15 4.76 0.14 -4.82 118.16 116.94 2kk0 n LYS 86 Ca 0.04 0.42 -0.01 0.00 -2.87 0.00 0.00 58.31 55.89 2kk0 n LYS 86 Cb 0.41 -4.87 0.00 0.00 -1.84 0.00 0.00 35.03 28.74 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 0.00 3.08 0.29 -0.35 -0.00 -1.24 -4.37 117.00 114.41 2kk0 n LEU 87 Ca 0.00 -1.55 0.18 0.00 -0.00 0.00 0.00 56.01 54.64 2kk0 n LEU 87 Cb 0.42 -0.51 0.90 0.00 -0.00 0.00 0.00 43.42 44.23 2kk0 n LEU 87 CO 0.00 0.51 1.15 -0.50 -0.00 0.00 0.00 177.39 178.55 2kk0 h TRP 88 N 0.02 0.00 0.00 1.47 4.06 -1.88 0.14 115.95 119.76 2kk0 h TRP 88 Ca 0.02 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.94 2kk0 h TRP 88 Cb 1.04 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.20 2kk0 h TRP 88 CO 0.04 0.00 -0.12 0.07 -3.56 0.00 0.00 178.44 174.86 2kk0 h ARG 89 N 0.00 0.00 -0.61 0.49 0.11 -1.98 -0.51 114.38 111.88 2kk0 h ARG 89 Ca 0.04 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.02 2kk0 h ARG 89 Cb 0.54 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.60 2kk0 h ARG 89 CO -0.00 0.12 -0.01 0.93 0.10 0.00 0.00 179.97 181.11 2kk0 h GLU 90 N 0.00 1.08 0.27 0.08 4.39 -1.09 -1.89 114.58 117.41 2kk0 h GLU 90 Ca -0.00 -0.35 -0.01 0.00 0.34 0.00 0.00 59.36 59.34 2kk0 h GLU 90 Cb 0.26 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2kk0 h GLU 90 CO 0.02 1.05 -0.13 0.82 -1.16 0.00 0.00 179.01 179.61 2kk0 h ILE 91 N 0.98 0.76 -0.37 3.13 1.08 -1.23 0.61 117.51 122.48 2kk0 h ILE 91 Ca 0.17 -0.64 0.05 0.00 -0.39 0.00 0.00 64.86 64.04 2kk0 h ILE 91 Cb 0.57 1.10 -0.04 0.00 -3.07 0.00 0.00 36.82 35.38 2kk0 h ILE 91 CO 0.03 0.13 0.12 0.71 -0.69 0.00 0.00 178.15 178.45 2kk0 h THR 92 N -0.72 0.87 -0.24 -0.27 1.35 -1.32 -1.76 112.91 110.83 2kk0 h THR 92 Ca -0.04 -0.09 -0.05 0.00 -0.55 0.00 0.00 66.41 65.68 2kk0 h THR 92 Cb 0.49 0.59 -0.01 0.00 -1.73 0.00 0.00 68.15 67.48 2kk0 h THR 92 CO 0.06 0.05 -0.09 0.50 -0.25 0.00 0.00 175.52 175.79 2kk0 h LYS 93 N 0.26 0.38 0.00 4.72 1.63 -1.35 0.24 116.57 122.45 2kk0 h LYS 93 Ca 0.17 -0.09 -0.05 0.00 -0.85 0.00 0.00 60.65 59.83 2kk0 h LYS 93 Cb 0.16 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.73 2kk0 h LYS 93 CO -0.19 0.48 -0.26 0.78 -3.45 0.00 0.00 179.45 176.81 2kk0 h GLY 94 N 0.81 0.00 -1.63 5.01 0.00 -0.14 -1.63 103.07 105.49 2kk0 h GLY 94 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2kk0 h GLY 94 CO 0.02 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.60 2kk0 n LEU 95 N -4.21 2.54 -1.43 3.11 4.77 -0.71 -4.92 117.00 116.15 2kk0 n LEU 95 Ca -0.02 -1.18 -0.17 0.00 -0.03 0.00 0.00 56.01 54.61 2kk0 n LEU 95 Cb 0.31 -0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 2kk0 n LEU 95 CO 0.37 0.59 -0.17 -3.20 -1.33 0.00 0.00 177.39 173.65 2kk0 n ASN 96 N 0.88 -5.06 -4.86 -1.43 2.85 -0.61 -4.99 115.26 102.03 2kk0 n ASN 96 Ca 0.17 0.34 -0.31 0.00 -0.11 0.00 0.00 54.58 54.67 2kk0 n ASN 96 Cb 0.43 -4.09 -0.05 0.00 1.24 0.00 0.00 39.78 37.31 2kk0 n ASN 96 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2kk0 s LEU 97 N -4.09 3.98 -0.27 1.20 1.43 0.76 -4.97 118.68 116.72 2kk0 s LEU 97 Ca 0.00 1.16 -0.29 0.00 -1.03 0.00 0.00 54.13 53.97 2kk0 s LEU 97 Cb 0.00 -3.99 -0.02 0.00 0.03 0.00 0.00 46.19 42.22 2kk0 s LEU 97 CO 0.00 -0.27 1.56 -2.16 0.23 0.00 0.00 176.35 175.71 2kk0 s PRO 98 N -3.33 3.73 0.00 1.29 0.04 -1.26 -4.09 135.00 131.38 2kk0 s PRO 98 Ca 0.52 1.47 0.11 0.00 0.04 0.00 0.00 61.00 63.14 2kk0 s PRO 98 Cb -0.10 -4.03 0.54 0.00 0.04 0.00 0.00 34.50 30.95 2kk0 s PRO 98 CO 0.24 -1.37 1.32 -2.37 0.04 0.00 0.00 177.00 174.86 2kk0 n THR 99 N 6.58 0.97 1.63 1.26 5.66 -1.26 -2.54 114.28 126.59 2kk0 n THR 99 Ca 0.18 0.24 0.07 0.00 -3.05 0.00 0.00 64.05 61.50 2kk0 n THR 99 Cb 0.46 -1.05 0.35 0.00 -1.55 0.00 0.00 70.33 68.54 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 -1.40 0.72 -4.70 1.09 2.88 -1.26 -4.88 113.62 106.07 2kk0 n SER 100 Ca 0.04 -1.68 -0.42 0.00 -1.33 0.00 0.00 58.87 55.48 2kk0 n SER 100 Cb 0.11 -0.06 -0.03 0.00 -0.75 0.00 0.00 64.21 63.48 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 -1.88 2.59 0.21 2.46 1.01 -1.05 -4.90 121.20 119.64 2kk0 s ILE 101 Ca 0.23 0.23 -0.19 0.00 0.00 0.00 0.00 60.65 60.93 2kk0 s ILE 101 Cb 0.12 -3.15 0.19 0.00 0.01 0.00 0.00 42.46 39.63 2kk0 s ILE 101 CO 0.18 0.01 1.51 0.41 0.00 0.00 0.00 174.94 177.05 2kk0 n THR 102 N 4.45 -0.54 -1.67 2.92 -1.04 -1.26 -1.60 114.28 115.55 2kk0 n THR 102 Ca 0.16 2.30 -0.05 0.00 -2.04 0.00 0.00 64.05 64.42 2kk0 n THR 102 Cb 0.38 -3.01 0.16 0.00 -1.82 0.00 0.00 70.33 66.04 2kk0 n THR 102 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2kk0 n SER 103 N -5.40 2.81 -0.06 8.00 3.41 -1.26 -4.89 113.62 116.23 2kk0 n SER 103 Ca 0.09 -3.85 -0.06 0.00 -0.26 0.00 0.00 58.87 54.79 2kk0 n SER 103 Cb 0.37 -0.52 -0.04 0.00 -0.26 0.00 0.00 64.21 63.76 2kk0 n SER 103 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kk0 h ALA 104 N 1.32 -0.51 -0.28 7.33 0.00 -1.64 0.83 119.26 126.30 2kk0 h ALA 104 Ca 0.15 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2kk0 h ALA 104 Cb 1.26 0.88 -0.01 0.00 0.00 0.00 0.00 17.79 19.92 2kk0 h ALA 104 CO 0.31 -0.63 0.13 0.00 0.00 0.00 0.00 179.25 179.06 2kk0 h ALA 105 N -0.76 0.36 -0.49 0.00 0.00 -1.90 -0.51 119.26 115.95 2kk0 h ALA 105 Ca 0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2kk0 h ALA 105 Cb 0.26 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2kk0 h ALA 105 CO -0.26 -0.06 0.15 0.35 0.00 0.00 0.00 179.25 179.44 2kk0 h PHE 106 N 0.31 0.74 0.01 0.00 3.57 -1.90 -2.47 116.94 117.19 2kk0 h PHE 106 Ca 0.10 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 2kk0 h PHE 106 Cb 0.14 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.66 2kk0 h PHE 106 CO -0.01 0.61 -0.04 1.15 -2.23 0.00 0.00 178.31 177.78 2kk0 h THR 107 N 0.72 1.72 -0.98 4.41 2.02 -0.66 -3.32 112.91 116.82 2kk0 h THR 107 Ca 0.17 -2.18 0.15 0.00 0.77 0.00 0.00 66.41 65.31 2kk0 h THR 107 Cb 0.21 3.20 -0.09 0.00 -1.74 0.00 0.00 68.15 69.73 2kk0 h THR 107 CO -0.01 0.57 0.60 -0.07 0.37 0.00 0.00 175.52 176.98 2kk0 h LEU 108 N -0.89 0.83 -0.69 2.58 3.38 -1.05 0.07 115.31 119.54 2kk0 h LEU 108 Ca -0.01 0.07 0.14 0.00 0.09 0.00 0.00 57.88 58.18 2kk0 h LEU 108 Cb 0.96 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.52 2kk0 h LEU 108 CO 0.01 0.38 0.16 -0.09 0.09 0.00 0.00 178.44 178.99 2kk0 h ARG 109 N 0.87 0.26 -0.09 1.13 2.43 -1.57 -0.21 114.38 117.21 2kk0 h ARG 109 Ca 0.52 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.60 2kk0 h ARG 109 Cb 0.65 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 2kk0 h ARG 109 CO -0.32 0.17 -0.26 1.15 -1.51 0.00 0.00 179.97 179.21 2kk0 h THR 110 N 0.27 1.41 -0.44 0.20 2.02 -1.12 -2.42 112.91 112.83 2kk0 h THR 110 Ca 0.38 -1.60 -0.02 0.00 0.77 0.00 0.00 66.41 65.94 2kk0 h THR 110 Cb 0.61 2.21 -0.02 0.00 -1.74 0.00 0.00 68.15 69.22 2kk0 h THR 110 CO -0.47 0.46 0.21 1.56 0.37 0.00 0.00 175.52 177.65 2kk0 h GLN 111 N -0.13 0.63 -0.69 6.66 1.08 -1.06 -0.69 115.11 120.91 2kk0 h GLN 111 Ca -0.01 -0.10 0.03 0.00 -1.45 0.00 0.00 58.65 57.13 2kk0 h GLN 111 Cb 0.88 -0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 28.15 2kk0 h GLN 111 CO 0.06 0.55 0.42 -0.92 -0.95 0.00 0.00 178.83 177.98 2kk0 h TYR 112 N 0.57 0.79 -0.78 2.96 3.20 -1.13 -2.18 116.97 120.39 2kk0 h TYR 112 Ca 0.15 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.09 2kk0 h TYR 112 Cb 0.13 -0.26 -0.05 0.00 1.54 0.00 0.00 36.73 38.09 2kk0 h TYR 112 CO -0.01 0.44 0.52 1.98 -1.64 0.00 0.00 178.16 179.44 2kk0 h MET 113 N 0.82 0.89 -0.28 1.82 4.05 -0.87 0.10 114.93 121.46 2kk0 h MET 113 Ca 0.28 -0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 59.57 2kk0 h MET 113 Cb 0.05 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 30.64 2kk0 h MET 113 CO -0.12 0.59 -0.14 0.87 0.23 0.00 0.00 176.91 178.34 2kk0 h LYS 114 N 0.92 0.59 0.00 0.39 1.57 -0.52 -3.37 116.57 116.15 2kk0 h LYS 114 Ca 0.32 -0.26 -0.25 0.00 -1.87 0.00 0.00 60.65 58.59 2kk0 h LYS 114 Cb 0.12 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 2kk0 h LYS 114 CO -0.10 0.83 -1.81 0.66 -0.57 0.00 0.00 179.45 178.46 2kk0 n TYR 115 N -4.43 0.00 0.02 -1.35 4.01 -1.01 -4.82 117.16 109.59 2kk0 n TYR 115 Ca -0.04 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.75 2kk0 n TYR 115 Cb 0.37 -0.55 -0.09 0.00 -0.31 0.00 0.00 39.34 38.76 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 -3.72 0.51 0.22 7.72 4.77 0.11 -4.46 117.00 122.15 2kk0 n LEU 116 Ca -0.30 0.21 -0.15 0.00 -0.03 0.00 0.00 56.01 55.74 2kk0 n LEU 116 Cb 0.70 0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.77 2kk0 n LEU 116 CO 0.02 0.06 0.73 0.22 -1.33 0.00 0.00 177.39 177.09 2kk0 h TYR 117 N 0.00 -0.47 -0.79 -1.77 3.20 -1.07 -2.15 116.97 113.92 2kk0 h TYR 117 Ca -0.12 -0.01 0.21 0.00 3.14 0.00 0.00 58.73 61.95 2kk0 h TYR 117 Cb 1.34 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 39.73 2kk0 h TYR 117 CO 0.00 -0.28 0.55 -1.35 -1.64 0.00 0.00 178.16 175.45 2kk0 h PRO 118 N -0.53 0.09 -0.15 1.82 0.11 -1.78 -1.64 132.00 129.93 2kk0 h PRO 118 Ca -0.05 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.97 2kk0 h PRO 118 Cb 0.40 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.49 2kk0 h PRO 118 CO 0.09 0.06 -0.22 -0.92 -0.21 0.00 0.00 178.00 176.80 2kk0 h TYR 119 N 0.09 0.50 -0.39 0.65 3.20 -1.63 -2.90 116.97 116.49 2kk0 h TYR 119 Ca 0.38 -0.17 -0.10 0.00 3.14 0.00 0.00 58.73 61.98 2kk0 h TYR 119 Cb 1.37 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.53 2kk0 h TYR 119 CO -0.00 0.84 -0.18 1.05 -1.64 0.00 0.00 178.16 178.22 2kk0 h GLU 120 N 0.02 0.75 -0.50 1.82 4.11 -0.83 -0.57 114.58 119.38 2kk0 h GLU 120 Ca 0.02 -0.28 0.07 0.00 0.07 0.00 0.00 59.36 59.24 2kk0 h GLU 120 Cb 0.78 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.92 2kk0 h GLU 120 CO 0.05 0.88 0.16 0.00 0.07 0.00 0.00 179.01 180.16 2kk0 h GLU 122 N 0.32 0.00 -0.31 0.00 4.81 -1.45 -2.69 114.58 115.26 2kk0 h GLU 122 Ca 0.25 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.37 2kk0 h GLU 122 Cb 0.29 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2kk0 h GLU 122 CO -0.27 0.36 -0.26 0.87 -0.73 0.00 0.00 179.01 178.98 2kk0 h LYS 123 N -1.00 0.62 0.00 1.92 1.79 -1.18 -3.33 116.57 115.38 2kk0 h LYS 123 Ca -0.07 -0.25 -0.28 0.00 -2.18 0.00 0.00 60.65 57.87 2kk0 h LYS 123 Cb 0.60 -0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.17 2kk0 h LYS 123 CO -0.04 0.82 -2.04 0.54 -1.08 0.00 0.00 179.45 177.65 2kk0 n ARG 124 N -4.10 1.06 -2.07 3.15 5.12 -0.09 -5.02 116.66 114.71 2kk0 n ARG 124 Ca -0.00 0.05 -0.14 0.00 -1.93 0.00 0.00 57.85 55.83 2kk0 n ARG 124 Cb 0.44 -1.38 -0.02 0.00 -1.16 0.00 0.00 32.46 30.34 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 2.33 0.17 0.17 -0.13 0.00 0.17 -4.96 105.19 102.94 2kk0 n GLY 125 Ca -0.28 -0.32 -0.06 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.32-10.11 0.99 3.38 -1.79 -3.48 115.31 103.98 2kk0 h LEU 126 Ca -0.32 0.01 -0.53 0.00 0.09 0.00 0.00 57.88 57.13 2kk0 h LEU 126 Cb 1.17 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.95 2kk0 h LEU 126 CO 0.40 0.00 -0.40 -0.94 0.09 0.00 0.00 178.44 177.59 2kk0 s SER 127 N -4.34 4.80 0.12 -0.43 1.04 -1.26 -5.01 113.70 108.61 2kk0 s SER 127 Ca -0.05 -0.92 0.07 0.00 0.48 0.00 0.00 55.95 55.53 2kk0 s SER 127 Cb 0.01 -0.40 -0.04 0.00 0.10 0.00 0.00 66.02 65.69 2kk0 s SER 127 CO 0.16 -0.69 -0.17 0.20 0.98 0.00 0.00 173.24 173.73 2kk0 s ASN 128 N -4.08 2.27 0.43 7.02 0.01 -1.26 -4.70 114.94 114.62 2kk0 s ASN 128 Ca 0.44 -0.75 0.10 0.00 -0.71 0.00 0.00 52.86 51.95 2kk0 s ASN 128 Cb -0.01 -0.11 0.93 0.00 0.41 0.00 0.00 41.25 42.47 2kk0 s ASN 128 CO 0.25 -0.04 2.02 1.55 -1.51 0.00 0.00 177.10 179.38 2kk0 h PRO 129 N 3.78 0.28 0.65 -0.60 0.13 -2.01 -1.88 132.00 132.36 2kk0 h PRO 129 Ca -0.43 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 2kk0 h PRO 129 Cb 1.19 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 32.27 2kk0 h PRO 129 CO 0.45 0.28 -0.31 -0.91 -0.23 0.00 0.00 178.00 177.27 2kk0 h ASN 130 N 0.28 -0.74 -0.53 1.44 4.21 -2.01 -2.78 115.58 115.46 2kk0 h ASN 130 Ca 0.07 0.03 0.08 0.00 1.21 0.00 0.00 56.30 57.69 2kk0 h ASN 130 Cb 0.13 0.19 -0.03 0.00 -1.12 0.00 0.00 38.32 37.49 2kk0 h ASN 130 CO -0.00 -0.43 0.35 1.05 -1.29 0.00 0.00 177.43 177.11 2kk0 h GLU 131 N -1.08 0.36 -0.15 0.81 4.11 -1.99 -2.48 114.58 114.17 2kk0 h GLU 131 Ca -0.09 -0.02 0.04 0.00 0.07 0.00 0.00 59.36 59.36 2kk0 h GLU 131 Cb 0.67 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 2kk0 h GLU 131 CO 0.15 0.24 -0.17 1.25 0.07 0.00 0.00 179.01 180.55 2kk0 h LEU 132 N 0.37 -0.52 -0.51 3.06 5.85 -1.26 0.16 115.31 122.46 2kk0 h LEU 132 Ca 0.24 0.10 0.01 0.00 0.84 0.00 0.00 57.88 59.06 2kk0 h LEU 132 Cb 0.46 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 2kk0 h LEU 132 CO -0.06 -0.21 0.33 -0.61 -0.34 0.00 0.00 178.44 177.55 2kk0 h GLN 133 N -0.20 0.66 -0.42 1.25 5.75 -1.16 -1.99 115.11 119.00 2kk0 h GLN 133 Ca 0.10 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.50 2kk0 h GLN 133 Cb 0.35 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 2kk0 h GLN 133 CO -0.26 0.44 0.02 0.00 -2.65 0.00 0.00 178.83 176.37 2kk0 h ALA 134 N 1.20 1.24 0.52 3.38 0.00 -1.33 -1.02 119.26 123.25 2kk0 h ALA 134 Ca 0.19 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2kk0 h ALA 134 Cb -0.06 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.56 2kk0 h ALA 134 CO -0.05 0.51 -0.25 0.00 0.00 0.00 0.00 179.25 179.46 2kk0 h ALA 135 N 1.38 -0.70 -0.92 0.00 0.00 -0.23 -0.98 119.26 117.81 2kk0 h ALA 135 Ca 0.13 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2kk0 h ALA 135 Cb 0.37 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 2kk0 h ALA 135 CO 0.01 -0.85 0.61 0.82 0.00 0.00 0.00 179.25 179.85 2kk0 h ILE 136 N -0.80 1.22 0.15 0.00 2.04 -1.32 -0.68 117.51 118.13 2kk0 h ILE 136 Ca -0.07 -0.42 0.01 0.00 1.00 0.00 0.00 64.86 65.38 2kk0 h ILE 136 Cb 0.58 -0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 2kk0 h ILE 136 CO 0.12 0.23 -0.25 -0.78 0.00 0.00 0.00 178.15 177.46 2kk0 h ASP 137 N 1.23 -0.71 -0.32 1.72 1.82 -1.11 -1.79 116.42 117.26 2kk0 h ASP 137 Ca 0.34 0.08 0.02 0.00 -0.39 0.00 0.00 57.03 57.08 2kk0 h ASP 137 Cb -0.12 0.27 -0.02 0.00 0.68 0.00 0.00 39.33 40.14 2kk0 h ASP 137 CO -0.08 -0.35 0.21 0.28 -1.61 0.00 0.00 179.24 177.69 2kk0 h SER 138 N -0.48 0.30 0.23 2.28 0.02 -0.61 -0.84 113.55 114.45 2kk0 h SER 138 Ca 0.02 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.88 2kk0 h SER 138 Cb 0.49 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2kk0 h SER 138 CO -0.13 0.21 -0.33 0.78 -1.14 0.00 0.00 176.83 176.22 2kk0 h ASN 139 N 0.35 0.17 0.45 3.07 -0.26 -0.65 -1.91 115.58 116.80 2kk0 h ASN 139 Ca 0.13 -0.06 -0.12 0.00 -0.56 0.00 0.00 56.30 55.69 2kk0 h ASN 139 Cb 0.08 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.28 2kk0 h ASN 139 CO -0.03 0.50 -0.53 0.03 -1.06 0.00 0.00 177.43 176.34 2kk0 h ARG 140 N 0.15 0.09 0.00 0.81 3.08 -0.32 -2.87 114.38 115.32 2kk0 h ARG 140 Ca 0.02 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 2kk0 h ARG 140 Cb 0.67 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 2kk0 h ARG 140 CO 0.05 0.60 -0.44 -0.09 -1.07 0.00 0.00 179.97 179.01 2kk0 h ARG 141 N 0.07 0.00 -7.35 0.04 2.43 -0.94 -3.45 114.38 105.19 2kk0 h ARG 141 Ca -0.00 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.66 2kk0 h ARG 141 Cb 0.96 0.00 0.10 0.00 -0.42 0.00 0.00 29.97 30.61 2kk0 h ARG 141 CO 0.07 0.44 0.36 -1.21 -1.51 0.00 0.00 179.97 178.13 2kk0 s GLU 142 N -3.68 2.76 0.00 0.20 2.02 -0.77 -4.03 118.70 115.20 2kk0 s GLU 142 Ca -0.01 0.91 0.00 0.00 0.02 0.00 0.00 54.97 55.90 2kk0 s GLU 142 Cb 0.12 -1.97 0.00 0.00 0.10 0.00 0.00 34.13 32.38 2kk0 s GLU 142 CO 0.71 -1.22 0.00 0.41 0.02 0.00 0.00 175.26 175.18 2kk0 n GLY 143 N -1.96 2.84 3.96 -1.39 0.00 -1.26 -4.97 105.19 102.40 2kk0 n GLY 143 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 2kk0 n GLY 143 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kk0 s ARG 144 N -0.56 1.45 0.00 1.61 0.52 -1.26 -5.24 118.95 115.48 2kk0 s ARG 144 Ca 0.00 -0.70 0.00 0.00 -0.52 0.00 0.00 55.73 54.51 2kk0 s ARG 144 Cb 0.00 -2.14 0.00 0.00 0.52 0.00 0.00 34.95 33.33 2kk0 s ARG 144 CO 0.00 -1.71 0.48 2.89 0.02 0.00 0.00 175.30 176.98