#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 3.42 3.77 -5.12 0.00 -1.26 -4.90 105.19 101.10 2kk0 n GLY 2 Ca 0.00 -1.57 -0.38 0.00 0.00 0.00 0.00 46.02 44.07 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 -3.39 3.71 -0.17 1.61 3.76 -1.15 -5.04 115.29 114.62 2kk0 s HIS 3 Ca 0.06 1.79 -0.04 0.00 -0.15 0.00 0.00 55.06 56.73 2kk0 s HIS 3 Cb 0.00 -2.99 0.06 0.00 1.11 0.00 0.00 32.58 30.76 2kk0 s HIS 3 CO 0.04 0.11 0.06 -1.58 -0.85 0.00 0.00 174.74 172.52 2kk0 s HIS 4 N -1.48 0.65 -0.58 1.40 2.46 -1.25 -4.11 115.29 112.38 2kk0 s HIS 4 Ca 0.48 -0.57 -0.03 0.00 0.47 0.00 0.00 55.06 55.42 2kk0 s HIS 4 Cb -0.22 -0.87 0.00 0.00 -0.13 0.00 0.00 32.58 31.37 2kk0 s HIS 4 CO 0.28 -0.54 0.50 1.58 -2.47 0.00 0.00 174.74 174.09 2kk0 n HIS 5 N 5.15 -1.19 -4.20 3.88 -0.00 0.23 -5.02 115.22 114.07 2kk0 n HIS 5 Ca -0.08 0.44 -0.12 0.00 0.46 0.00 0.00 57.72 58.43 2kk0 n HIS 5 Cb 0.48 -3.02 -0.10 0.00 -0.12 0.00 0.00 29.99 27.23 2kk0 n HIS 5 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kk0 s HIS 6 N -3.15 1.05 -0.03 1.57 3.76 -1.21 -5.04 115.29 112.24 2kk0 s HIS 6 Ca 0.17 -0.94 0.03 0.00 -0.15 0.00 0.00 55.06 54.17 2kk0 s HIS 6 Cb -0.08 -0.59 -0.00 0.00 1.11 0.00 0.00 32.58 33.02 2kk0 s HIS 6 CO 0.33 -0.15 -0.11 -3.38 -0.85 0.00 0.00 174.74 170.57 2kk0 s HIS 7 N -3.61 1.11 0.44 1.40 -0.00 -1.26 -4.15 115.29 109.21 2kk0 s HIS 7 Ca 0.17 -0.28 0.03 0.00 -0.00 0.00 0.00 55.06 54.99 2kk0 s HIS 7 Cb 0.05 -0.77 -0.01 0.00 -0.00 0.00 0.00 32.58 31.86 2kk0 s HIS 7 CO -0.01 -0.10 0.11 0.72 -0.00 0.00 0.00 174.74 175.47 2kk0 n HIS 8 N 3.18 0.38 -1.24 0.38 8.25 -1.26 -5.16 115.22 119.76 2kk0 n HIS 8 Ca -0.17 -2.62 -0.29 0.00 -0.26 0.00 0.00 57.72 54.38 2kk0 n HIS 8 Cb 0.54 -0.08 0.17 0.00 1.12 0.00 0.00 29.99 31.74 2kk0 n HIS 8 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2kk0 s SER 9 N -3.60 2.84 0.37 0.41 1.04 -1.26 -5.02 113.70 108.47 2kk0 s SER 9 Ca 0.16 1.17 -0.23 0.00 0.48 0.00 0.00 55.95 57.53 2kk0 s SER 9 Cb 0.01 -1.83 -0.10 0.00 0.10 0.00 0.00 66.02 64.20 2kk0 s SER 9 CO 0.11 -2.99 0.93 -1.00 0.98 0.00 0.00 173.24 171.27 2kk0 s HIS 10 N -3.02 3.51 0.21 5.02 0.09 -1.26 -5.08 115.29 114.77 2kk0 s HIS 10 Ca 0.65 1.67 0.06 0.00 -0.00 0.00 0.00 55.06 57.44 2kk0 s HIS 10 Cb -0.18 -2.86 -0.04 0.00 -0.00 0.00 0.00 32.58 29.50 2kk0 s HIS 10 CO 0.57 0.07 0.20 -1.64 -0.00 0.00 0.00 174.74 173.94 2kk0 s MET 11 N -2.58 3.02 -0.85 1.40 -1.94 -1.26 -5.04 119.30 112.05 2kk0 s MET 11 Ca 0.55 -0.93 -0.25 0.00 -1.71 0.00 0.00 55.69 53.36 2kk0 s MET 11 Cb -0.14 -2.66 -0.06 0.00 2.01 0.00 0.00 34.83 33.99 2kk0 s MET 11 CO 0.19 0.44 2.00 -1.25 -0.01 0.00 0.00 175.02 176.39 2kk0 s PRO 12 N -3.58 2.43 0.55 2.03 0.04 -1.26 -4.96 135.00 130.25 2kk0 s PRO 12 Ca 0.32 -0.06 -0.06 0.00 0.04 0.00 0.00 61.00 61.25 2kk0 s PRO 12 Cb -0.09 -4.94 0.12 0.00 0.04 0.00 0.00 34.50 29.63 2kk0 s PRO 12 CO 0.25 -3.44 0.74 -0.25 0.04 0.00 0.00 177.00 174.35 2kk0 n ASP 13 N 14.47 0.41 -0.39 6.66 8.00 -1.26 -5.01 116.55 139.42 2kk0 n ASP 13 Ca 0.39 -1.48 0.11 0.00 0.71 0.00 0.00 54.79 54.52 2kk0 n ASP 13 Cb 0.47 -0.54 0.06 0.00 -0.02 0.00 0.00 41.12 41.09 2kk0 n ASP 13 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2kk0 n HIS 14 N -2.79 0.00 -0.16 1.24 8.25 -1.10 -4.33 115.22 116.33 2kk0 n HIS 14 Ca 0.10 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.45 2kk0 n HIS 14 Cb 0.37 -0.03 -0.00 0.00 1.12 0.00 0.00 29.99 31.44 2kk0 n HIS 14 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2kk0 h GLY 15 N 4.88 1.01 -0.12 -1.41 0.00 -1.89 -3.43 103.07 102.12 2kk0 h GLY 15 Ca 0.00 -0.87 -0.05 0.00 0.00 0.00 0.00 47.33 46.41 2kk0 h GLY 15 CO 0.00 0.80 0.00 1.22 0.00 0.00 0.00 176.54 178.56 2kk0 n ASP 16 N -4.19 -1.54 0.00 0.19 9.92 -1.26 -4.11 116.55 115.56 2kk0 n ASP 16 Ca -0.00 -0.42 0.00 0.00 -0.53 0.00 0.00 54.79 53.84 2kk0 n ASP 16 Cb 0.42 -0.13 0.00 0.00 -0.64 0.00 0.00 41.12 40.77 2kk0 n ASP 16 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 2kk0 n TRP 17 N -3.00 0.00 -1.53 1.24 7.02 -1.26 -4.93 117.44 114.98 2kk0 n TRP 17 Ca 0.02 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.17 2kk0 n TRP 17 Cb 0.08 0.00 0.07 0.00 -2.42 0.00 0.00 31.31 29.04 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 0.00 2.86 0.85 -0.99 -4.23 -1.26 -5.00 115.64 107.86 2kk0 s THR 18 Ca 0.00 0.39 -0.13 0.00 -1.18 0.00 0.00 61.69 60.77 2kk0 s THR 18 Cb 0.00 -2.88 0.07 0.00 1.34 0.00 0.00 72.50 71.02 2kk0 s THR 18 CO 0.00 -0.26 0.93 0.00 -0.54 0.00 0.00 174.62 174.75 2kk0 n TYR 19 N -2.74 0.32 -0.25 3.99 0.18 -1.26 -4.91 117.16 112.49 2kk0 n TYR 19 Ca 0.11 0.36 0.04 0.00 1.88 0.00 0.00 57.90 60.29 2kk0 n TYR 19 Cb 0.51 -1.99 0.17 0.00 -0.38 0.00 0.00 39.34 37.65 2kk0 n TYR 19 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 2kk0 h GLU 20 N -1.15 0.47 -7.24 -3.48 4.57 -1.94 -3.44 114.58 102.36 2kk0 h GLU 20 Ca -0.45 -0.03 -0.52 0.00 -1.18 0.00 0.00 59.36 57.18 2kk0 h GLU 20 Cb 1.30 -0.11 0.17 0.00 -0.16 0.00 0.00 28.75 29.95 2kk0 h GLU 20 CO 0.42 0.31 0.30 -2.00 -1.18 0.00 0.00 179.01 176.86 2kk0 s GLU 21 N -6.03 1.61 -0.25 1.92 2.56 -1.26 -4.04 118.70 113.20 2kk0 s GLU 21 Ca -0.12 1.58 -0.33 0.00 0.00 0.00 0.00 54.97 56.10 2kk0 s GLU 21 Cb 0.20 -1.79 -0.10 0.00 2.00 0.00 0.00 34.13 34.44 2kk0 s GLU 21 CO 0.76 -2.20 2.12 0.00 -0.56 0.00 0.00 175.26 175.39 2kk0 n GLN 22 N -3.56 1.59 -2.34 4.30 10.64 -1.19 -4.87 117.38 121.95 2kk0 n GLN 22 Ca 0.12 0.48 -0.35 0.00 -1.83 0.00 0.00 57.00 55.42 2kk0 n GLN 22 Cb 0.51 -2.73 -0.01 0.00 -0.86 0.00 0.00 30.24 27.16 2kk0 n GLN 22 CO 0.00 0.00 0.00 -0.59 -1.83 0.00 0.00 177.06 174.64 2kk0 s PHE 23 N 6.82 2.79 -0.09 2.61 -0.12 -1.26 -4.91 117.98 123.83 2kk0 s PHE 23 Ca 1.03 1.55 0.25 0.00 -0.05 0.00 0.00 56.93 59.71 2kk0 s PHE 23 Cb -0.67 -3.24 1.34 0.00 -0.63 0.00 0.00 43.02 39.82 2kk0 s PHE 23 CO 0.46 -1.36 1.76 -0.22 -0.05 0.00 0.00 175.22 175.81 2kk0 h LYS 24 N 1.44 0.00 -0.76 1.99 1.63 -2.01 -3.25 116.57 115.60 2kk0 h LYS 24 Ca -0.50 0.00 0.16 0.00 -0.85 0.00 0.00 60.65 59.46 2kk0 h LYS 24 Cb 1.25 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 32.78 2kk0 h LYS 24 CO 0.58 0.00 0.27 0.37 -3.45 0.00 0.00 179.45 177.22 2kk0 h GLN 25 N 0.00 0.37 -0.30 1.90 5.75 -1.98 0.16 115.11 121.01 2kk0 h GLN 25 Ca 0.00 -0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.50 2kk0 h GLN 25 Cb 0.01 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 2kk0 h GLN 25 CO 0.00 0.24 0.20 -0.07 -2.65 0.00 0.00 178.83 176.56 2kk0 h LEU 26 N 0.38 0.29 -0.15 -2.39 3.38 -1.97 -1.85 115.31 113.00 2kk0 h LEU 26 Ca 0.43 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 58.20 2kk0 h LEU 26 Cb 0.70 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 2kk0 h LEU 26 CO -0.45 0.21 -0.91 1.88 0.09 0.00 0.00 178.44 179.26 2kk0 h TYR 27 N 0.34 0.00 -0.00 1.13 -1.99 -0.97 -3.25 116.97 112.23 2kk0 h TYR 27 Ca 0.12 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.85 2kk0 h TYR 27 Cb 0.06 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.79 2kk0 h TYR 27 CO -0.00 0.91 0.00 0.39 -0.00 0.00 0.00 178.16 179.46 2kk0 n GLU 28 N -3.43 1.00 0.08 4.88 1.02 -0.71 -4.19 120.64 119.29 2kk0 n GLU 28 Ca -0.00 -0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 57.01 2kk0 n GLU 28 Cb 0.87 -1.47 -0.08 0.00 -0.02 0.00 0.00 31.44 30.74 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 0.02 -0.20 0.04 -4.62 3.38 -1.56 -3.40 115.31 108.96 2kk0 h LEU 29 Ca 0.00 -0.31 -0.38 0.00 0.09 0.00 0.00 57.88 57.27 2kk0 h LEU 29 Cb 0.00 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 2kk0 h LEU 29 CO 0.00 0.26 -2.33 0.47 0.09 0.00 0.00 178.44 176.93 2kk0 n ASP 30 N -4.99 1.98 0.00 -0.43 9.92 -1.26 -4.98 116.55 116.79 2kk0 n ASP 30 Ca -0.09 -0.03 0.00 0.00 -0.53 0.00 0.00 54.79 54.14 2kk0 n ASP 30 Cb 0.26 -0.52 0.00 0.00 -0.64 0.00 0.00 41.12 40.22 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 2.17 0.31 3.85 0.44 0.00 -1.26 -5.02 105.19 105.68 2kk0 n GLY 31 Ca -0.41 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.04 6.80 0.15 1.61 -1.08 -1.26 -5.01 116.67 115.83 2kk0 s ASP 32 Ca 0.00 1.24 -0.17 0.00 -0.52 0.00 0.00 52.55 53.10 2kk0 s ASP 32 Cb 0.00 -2.35 0.03 0.00 -1.46 0.00 0.00 42.92 39.13 2kk0 s ASP 32 CO 0.00 -0.13 1.77 1.55 0.52 0.00 0.00 175.17 178.88 2kk0 h PRO 33 N 2.56 0.33 0.00 4.34 0.13 -2.03 -2.78 132.00 134.55 2kk0 h PRO 33 Ca -0.48 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 2kk0 h PRO 33 Cb 1.18 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 2kk0 h PRO 33 CO 0.66 0.22 -0.15 0.87 -0.23 0.00 0.00 178.00 179.37 2kk0 h LYS 34 N 0.34 0.00 -0.10 0.86 1.57 -2.01 -3.30 116.57 113.94 2kk0 h LYS 34 Ca 0.14 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.94 2kk0 h LYS 34 Cb 0.06 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 2kk0 h LYS 34 CO -0.10 0.15 -0.35 -0.09 -0.57 0.00 0.00 179.45 178.49 2kk0 h ARG 35 N 0.00 -0.35 0.00 3.15 2.43 -1.89 0.40 114.38 118.11 2kk0 h ARG 35 Ca -0.00 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2kk0 h ARG 35 Cb 0.43 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2kk0 h ARG 35 CO 0.02 -0.23 -0.13 1.57 -1.51 0.00 0.00 179.97 179.68 2kk0 h LYS 36 N -0.36 0.00 0.03 0.20 -0.00 -1.70 -1.69 116.57 113.05 2kk0 h LYS 36 Ca 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.67 2kk0 h LYS 36 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.66 2kk0 h LYS 36 CO -0.29 0.13 -0.01 0.93 -0.00 0.00 0.00 179.45 180.21 2kk0 h GLU 37 N 0.00 -0.04 -0.33 0.07 5.08 -1.60 0.14 114.58 117.90 2kk0 h GLU 37 Ca -0.00 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 2kk0 h GLU 37 Cb 0.24 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.43 2kk0 h GLU 37 CO 0.02 0.24 -0.12 0.35 -1.00 0.00 0.00 179.01 178.50 2kk0 h PHE 38 N -0.32 -0.27 -0.37 4.33 3.04 -0.13 0.51 116.94 123.73 2kk0 h PHE 38 Ca -0.00 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 61.92 2kk0 h PHE 38 Cb 0.29 0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.96 2kk0 h PHE 38 CO 0.02 -0.19 0.01 -0.07 -2.02 0.00 0.00 178.31 176.06 2kk0 h LEU 39 N -0.05 0.64 0.12 0.59 3.38 -1.33 -0.83 115.31 117.83 2kk0 h LEU 39 Ca 0.16 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2kk0 h LEU 39 Cb 0.30 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2kk0 h LEU 39 CO -0.37 0.78 -0.06 -0.78 0.09 0.00 0.00 178.44 178.10 2kk0 h ASP 40 N 0.47 -0.14 -0.93 -0.43 3.58 -0.35 0.30 116.42 118.92 2kk0 h ASP 40 Ca 0.11 -0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.54 2kk0 h ASP 40 Cb 0.45 0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.48 2kk0 h ASP 40 CO 0.02 -0.05 0.61 0.44 -2.88 0.00 0.00 179.24 177.38 2kk0 h ASP 41 N -0.22 1.02 0.77 2.28 5.19 -0.94 -0.55 116.42 123.98 2kk0 h ASP 41 Ca -0.02 -0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.35 2kk0 h ASP 41 Cb 0.17 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 39.44 2kk0 h ASP 41 CO 0.03 0.71 -0.46 0.25 -3.12 0.00 0.00 179.24 176.64 2kk0 h LEU 42 N 1.19 -1.16 -0.38 1.55 5.85 -0.72 -0.16 115.31 121.47 2kk0 h LEU 42 Ca 0.36 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 59.13 2kk0 h LEU 42 Cb -0.03 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2kk0 h LEU 42 CO -0.11 -0.72 0.16 -0.26 -0.34 0.00 0.00 178.44 177.16 2kk0 h PHE 43 N -1.16 0.58 -0.49 1.25 0.04 -0.88 -2.51 116.94 113.77 2kk0 h PHE 43 Ca -0.10 -0.04 -0.05 0.00 2.80 0.00 0.00 57.97 60.58 2kk0 h PHE 43 Cb 0.93 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.88 2kk0 h PHE 43 CO -0.09 0.52 0.11 0.77 -0.60 0.00 0.00 178.31 179.01 2kk0 h SER 44 N 0.47 0.75 0.49 2.17 0.02 -1.13 0.84 113.55 117.16 2kk0 h SER 44 Ca 0.13 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 2kk0 h SER 44 Cb 0.18 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 2kk0 h SER 44 CO -0.01 0.80 -0.36 0.15 -1.14 0.00 0.00 176.83 176.26 2kk0 h PHE 45 N 0.67 -0.96 -0.23 3.45 3.57 -0.91 -0.77 116.94 121.75 2kk0 h PHE 45 Ca 0.15 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.54 2kk0 h PHE 45 Cb 0.35 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 2kk0 h PHE 45 CO 0.02 -0.53 -0.30 0.00 -2.23 0.00 0.00 178.31 175.27 2kk0 h MET 46 N -0.83 0.47 -0.19 1.11 -0.00 -1.45 -2.77 114.93 111.26 2kk0 h MET 46 Ca -0.05 -0.19 0.01 0.00 -0.00 0.00 0.00 59.70 59.47 2kk0 h MET 46 Cb 0.70 -0.02 -0.02 0.00 -0.00 0.00 0.00 31.60 32.27 2kk0 h MET 46 CO 0.02 0.72 0.09 0.37 -0.00 0.00 0.00 176.91 178.11 2kk0 h GLN 47 N 0.40 0.20 0.00 -0.10 4.15 -0.56 -0.05 115.11 119.15 2kk0 h GLN 47 Ca 0.05 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 2kk0 h GLN 47 Cb 0.73 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.38 2kk0 h GLN 47 CO 0.06 0.13 -0.04 0.87 -1.93 0.00 0.00 178.83 177.91 2kk0 h LYS 48 N 0.20 0.00 -0.16 1.69 1.57 -1.02 -1.69 116.57 117.17 2kk0 h LYS 48 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2kk0 h LYS 48 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2kk0 h LYS 48 CO -0.05 0.04 0.00 2.89 -0.57 0.00 0.00 179.45 181.76 2kk0 n ARG 49 N -3.18 1.74 0.00 3.15 1.85 -0.98 -4.91 116.66 114.33 2kk0 n ARG 49 Ca -0.00 -1.12 0.00 0.00 -1.00 0.00 0.00 57.85 55.73 2kk0 n ARG 49 Cb 0.29 -1.40 0.00 0.00 -1.05 0.00 0.00 32.46 30.30 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 1.14 1.11 2.59 2.89 0.00 -0.64 -5.07 105.19 107.21 2kk0 n GLY 50 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 0.72 0.47 2.61 -1.32 -0.07 -5.00 115.64 111.05 2kk0 s THR 51 Ca 0.00 -2.03 -0.14 0.00 -1.21 0.00 0.00 61.69 58.30 2kk0 s THR 51 Cb 0.00 -1.52 -0.07 0.00 -1.51 0.00 0.00 72.50 69.40 2kk0 s THR 51 CO 0.00 -0.93 0.90 -2.16 -2.21 0.00 0.00 174.62 170.23 2kk0 s PRO 52 N 0.82 3.88 -0.52 7.08 0.04 -1.26 -2.60 135.00 142.44 2kk0 s PRO 52 Ca 0.17 0.77 -0.15 0.00 0.04 0.00 0.00 61.00 61.84 2kk0 s PRO 52 Cb -0.23 -2.23 0.12 0.00 0.04 0.00 0.00 34.50 32.20 2kk0 s PRO 52 CO -0.01 -0.19 0.46 0.08 0.04 0.00 0.00 177.00 177.38 2kk0 s VAL 53 N -2.54 5.02 -0.15 -0.36 1.01 -1.26 -4.89 120.40 117.24 2kk0 s VAL 53 Ca 0.56 -1.50 -0.14 0.00 0.00 0.00 0.00 61.98 60.90 2kk0 s VAL 53 Cb -0.10 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 2kk0 s VAL 53 CO 0.32 -0.81 -0.27 0.59 0.00 0.00 0.00 175.10 174.92 2kk0 n ASN 54 N 5.18 1.60 -4.68 3.32 4.13 -1.26 -4.18 115.26 119.36 2kk0 n ASN 54 Ca -0.13 0.32 -0.38 0.00 1.68 0.00 0.00 54.58 56.07 2kk0 n ASN 54 Cb 0.41 -0.72 -0.07 0.00 -1.54 0.00 0.00 39.78 37.86 2kk0 n ASN 54 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2kk0 s ARG 55 N -2.51 4.23 -0.01 3.52 1.81 -1.26 -3.20 118.95 121.54 2kk0 s ARG 55 Ca -0.22 0.35 -0.19 0.00 -1.72 0.00 0.00 55.73 53.94 2kk0 s ARG 55 Cb 0.03 -3.51 -0.05 0.00 -0.45 0.00 0.00 34.95 30.96 2kk0 s ARG 55 CO 0.33 -0.01 0.54 0.42 -0.68 0.00 0.00 175.30 175.90 2kk0 s ILE 56 N 1.20 4.95 0.45 1.52 1.01 -1.26 -5.04 121.20 124.02 2kk0 s ILE 56 Ca 0.23 1.12 -0.23 0.00 0.00 0.00 0.00 60.65 61.76 2kk0 s ILE 56 Cb -0.15 -3.87 -0.10 0.00 0.01 0.00 0.00 42.46 38.35 2kk0 s ILE 56 CO 0.09 0.45 1.02 -0.81 0.00 0.00 0.00 174.94 175.69 2kk0 n PRO 57 N 2.57 1.33 -4.96 2.79 -0.04 -1.26 -4.85 135.00 130.58 2kk0 n PRO 57 Ca -0.09 0.48 -0.29 0.00 -0.04 0.00 0.00 63.50 63.57 2kk0 n PRO 57 Cb 0.51 -2.08 -0.15 0.00 -0.04 0.00 0.00 33.50 31.74 2kk0 n PRO 57 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2kk0 s ILE 58 N -1.31 1.92 -0.18 0.52 -1.09 -1.26 -0.98 121.20 118.82 2kk0 s ILE 58 Ca 0.65 -1.19 -0.16 0.00 -2.23 0.00 0.00 60.65 57.71 2kk0 s ILE 58 Cb -0.53 -1.63 0.05 0.00 -1.58 0.00 0.00 42.46 38.77 2kk0 s ILE 58 CO 0.56 0.40 0.48 -0.32 -1.23 0.00 0.00 174.94 174.83 2kk0 s MET 59 N -0.94 0.56 -1.28 2.79 -2.45 0.17 -4.84 119.30 113.30 2kk0 s MET 59 Ca 0.10 0.69 -0.08 0.00 -1.25 0.00 0.00 55.69 55.15 2kk0 s MET 59 Cb -0.09 0.25 0.01 0.00 1.25 0.00 0.00 34.83 36.25 2kk0 s MET 59 CO 0.01 -0.08 1.12 0.00 1.05 0.00 0.00 175.02 177.12 2kk0 n ALA 60 N 2.95 -1.26 -0.77 4.11 0.00 -1.26 -2.05 120.51 122.23 2kk0 n ALA 60 Ca -0.14 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2kk0 n ALA 60 Cb 0.57 -5.15 0.00 0.00 0.00 0.00 0.00 19.45 14.86 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 -4.73 -0.07 -4.51 0.00 4.76 -1.26 -4.95 118.16 107.40 2kk0 n LYS 61 Ca -0.00 0.02 -0.25 0.00 -2.87 0.00 0.00 58.31 55.20 2kk0 n LYS 61 Cb 0.56 -3.51 -0.08 0.00 -1.84 0.00 0.00 35.03 30.15 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 -0.52 1.92 0.47 1.97 -2.07 -0.87 -2.72 119.66 117.83 2kk0 s GLN 62 Ca 0.00 -2.16 -0.23 0.00 -1.82 0.00 0.00 55.36 51.15 2kk0 s GLN 62 Cb 0.00 -0.59 -0.07 0.00 -1.09 0.00 0.00 33.01 31.26 2kk0 s GLN 62 CO 0.00 -0.48 1.20 0.54 -1.32 0.00 0.00 175.29 175.23 2kk0 s VAL 63 N -3.22 2.93 -0.45 3.63 0.11 -1.26 -0.66 120.40 121.48 2kk0 s VAL 63 Ca 0.25 0.70 -0.23 0.00 -2.93 0.00 0.00 61.98 59.77 2kk0 s VAL 63 Cb 0.03 -3.35 0.03 0.00 -1.53 0.00 0.00 36.38 31.55 2kk0 s VAL 63 CO 0.15 -0.01 0.76 -0.22 -3.33 0.00 0.00 175.10 172.45 2kk0 s LEU 64 N -3.10 4.31 -0.78 2.54 2.96 -0.15 -4.62 118.68 119.84 2kk0 s LEU 64 Ca 0.65 -0.17 -0.25 0.00 -0.22 0.00 0.00 54.13 54.13 2kk0 s LEU 64 Cb -0.31 -2.91 -0.15 0.00 0.50 0.00 0.00 46.19 43.33 2kk0 s LEU 64 CO 0.37 -0.90 2.40 0.47 -1.32 0.00 0.00 176.35 177.38 2kk0 n ASP 65 N 6.63 1.64 -0.18 3.68 9.92 -1.26 -4.80 116.55 132.19 2kk0 n ASP 65 Ca 0.01 -1.35 -0.03 0.00 -0.53 0.00 0.00 54.79 52.89 2kk0 n ASP 65 Cb 0.48 -1.59 0.07 0.00 -0.64 0.00 0.00 41.12 39.44 2kk0 n ASP 65 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2kk0 h LEU 66 N 21.66 0.31 -0.19 0.64 3.38 -1.96 0.25 115.31 139.40 2kk0 h LEU 66 Ca -0.02 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.04 2kk0 h LEU 66 Cb 1.03 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.74 2kk0 h LEU 66 CO 1.05 0.21 -0.08 0.15 0.09 0.00 0.00 178.44 179.86 2kk0 h PHE 67 N 0.46 -0.20 -0.34 1.13 3.04 -1.93 -1.15 116.94 117.95 2kk0 h PHE 67 Ca 0.25 0.02 -0.16 0.00 3.98 0.00 0.00 57.97 62.06 2kk0 h PHE 67 Cb 0.22 0.12 -0.00 0.00 2.56 0.00 0.00 35.95 38.85 2kk0 h PHE 67 CO -0.13 -0.13 -0.42 0.52 -2.02 0.00 0.00 178.31 176.12 2kk0 h MET 68 N -0.06 0.88 -0.52 1.11 0.00 -1.88 -2.89 114.93 111.58 2kk0 h MET 68 Ca 0.10 -0.50 0.07 0.00 0.00 0.00 0.00 59.70 59.38 2kk0 h MET 68 Cb 0.21 0.03 -0.06 0.00 0.00 0.00 0.00 31.60 31.79 2kk0 h MET 68 CO -0.23 1.14 0.19 1.25 0.00 0.00 0.00 176.91 179.26 2kk0 h LEU 69 N 0.68 0.19 -0.35 1.22 5.85 -0.28 0.09 115.31 122.71 2kk0 h LEU 69 Ca 0.04 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.89 2kk0 h LEU 69 Cb 1.02 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 42.04 2kk0 h LEU 69 CO 0.10 0.13 -0.01 0.22 -0.34 0.00 0.00 178.44 178.55 2kk0 h TYR 70 N 0.37 -0.03 0.46 1.25 3.20 -1.16 -1.74 116.97 119.31 2kk0 h TYR 70 Ca 0.25 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 2kk0 h TYR 70 Cb 0.27 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 2kk0 h TYR 70 CO -0.16 -0.07 -0.32 0.28 -1.64 0.00 0.00 178.16 176.24 2kk0 h VAL 71 N 0.09 0.34 -0.78 1.81 2.07 -1.06 -0.92 116.25 117.80 2kk0 h VAL 71 Ca 0.17 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.76 2kk0 h VAL 71 Cb 0.24 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 2kk0 h VAL 71 CO -0.30 0.00 0.51 -0.07 0.02 0.00 0.00 177.57 177.73 2kk0 h LEU 72 N -0.76 0.73 0.04 2.57 -0.00 -0.88 -0.95 115.31 116.06 2kk0 h LEU 72 Ca -0.05 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.73 2kk0 h LEU 72 Cb 0.64 -0.15 0.01 0.00 -0.00 0.00 0.00 40.66 41.16 2kk0 h LEU 72 CO 0.02 0.47 -0.45 0.58 -0.00 0.00 0.00 178.44 179.06 2kk0 h VAL 73 N 0.83 1.56 -0.34 1.22 2.07 -1.25 -3.30 116.25 117.03 2kk0 h VAL 73 Ca 0.34 -2.23 -0.08 0.00 0.82 0.00 0.00 66.70 65.55 2kk0 h VAL 73 Cb 0.25 2.98 -0.02 0.00 -1.52 0.00 0.00 31.29 32.99 2kk0 h VAL 73 CO -0.12 0.62 -0.14 0.71 0.02 0.00 0.00 177.57 178.66 2kk0 h THR 74 N -0.47 1.25 0.00 2.57 1.35 -0.94 -2.05 112.91 114.61 2kk0 h THR 74 Ca -0.07 -1.12 -0.01 0.00 -0.55 0.00 0.00 66.41 64.66 2kk0 h THR 74 Cb 1.26 1.14 -0.00 0.00 -1.73 0.00 0.00 68.15 68.82 2kk0 h THR 74 CO 0.09 0.37 -0.06 1.05 -0.25 0.00 0.00 175.52 176.72 2kk0 h GLU 75 N 0.55 0.00 0.00 4.72 4.11 -1.31 -2.04 114.58 120.62 2kk0 h GLU 75 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.53 2kk0 h GLU 75 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2kk0 h GLU 75 CO 0.04 0.06 -0.76 0.87 0.07 0.00 0.00 179.01 179.29 2kk0 h LYS 76 N 0.00 0.00 0.00 1.06 1.79 -1.51 -3.48 116.57 114.44 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 0.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 2kk0 h LYS 76 CO 0.01 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.79 2kk0 n GLY 77 N 1.18 0.23 0.00 3.86 0.00 -0.77 -4.79 105.19 104.90 2kk0 n GLY 77 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 1.98 0.24 -0.02 0.00 -0.82 -4.47 105.19 102.11 2kk0 n GLY 78 Ca 0.00 -2.07 -0.12 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.58 -0.64 0.99 5.85 -1.97 -1.47 115.31 117.48 2kk0 h LEU 79 Ca 0.00 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.85 2kk0 h LEU 79 Cb 0.00 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 2kk0 h LEU 79 CO 0.00 -0.28 0.36 0.58 -0.34 0.00 0.00 178.44 178.76 2kk0 h VAL 80 N -0.36 0.98 0.23 1.05 2.07 -1.95 -1.58 116.25 116.68 2kk0 h VAL 80 Ca 0.04 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2kk0 h VAL 80 Cb 0.40 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 2kk0 h VAL 80 CO -0.15 0.12 -0.22 -0.08 0.02 0.00 0.00 177.57 177.27 2kk0 h GLU 81 N 0.67 -0.46 -0.83 1.57 4.57 -1.69 -0.65 114.58 117.76 2kk0 h GLU 81 Ca 0.28 0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.55 2kk0 h GLU 81 Cb 0.16 0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.81 2kk0 h GLU 81 CO -0.17 -0.31 0.54 0.28 -1.18 0.00 0.00 179.01 178.18 2kk0 h VAL 82 N -0.48 1.09 -0.51 0.32 2.07 -1.01 -0.30 116.25 117.43 2kk0 h VAL 82 Ca -0.01 -0.33 -0.10 0.00 0.82 0.00 0.00 66.70 67.08 2kk0 h VAL 82 Cb 0.44 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 2kk0 h VAL 82 CO -0.04 0.18 -0.08 0.40 0.02 0.00 0.00 177.57 178.04 2kk0 h ILE 83 N 0.97 1.26 -0.10 4.57 2.04 -0.98 0.12 117.51 125.39 2kk0 h ILE 83 Ca 0.34 -1.20 -0.13 0.00 1.00 0.00 0.00 64.86 64.87 2kk0 h ILE 83 Cb 0.13 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2kk0 h ILE 83 CO -0.11 0.42 -0.51 0.78 0.00 0.00 0.00 178.15 178.73 2kk0 h ASN 84 N 0.84 0.29 0.71 1.72 2.35 -0.07 -3.19 115.58 118.23 2kk0 h ASN 84 Ca 0.14 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2kk0 h ASN 84 Cb 0.61 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.90 2kk0 h ASN 84 CO 0.04 0.75 -0.95 0.29 -1.65 0.00 0.00 177.43 175.91 2kk0 n LYS 85 N -3.95 0.41 -1.25 0.81 5.02 -0.22 -4.97 118.16 114.01 2kk0 n LYS 85 Ca -0.02 0.05 -0.09 0.00 -2.02 0.00 0.00 58.31 56.23 2kk0 n LYS 85 Cb 0.55 -1.69 -0.04 0.00 -0.02 0.00 0.00 35.03 33.84 2kk0 n LYS 85 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2kk0 n LYS 86 N -2.24 -1.68 -0.42 1.97 4.01 0.42 -4.85 118.16 115.37 2kk0 n LYS 86 Ca 0.01 0.79 -0.04 0.00 -0.51 0.00 0.00 58.31 58.56 2kk0 n LYS 86 Cb 0.48 -5.18 0.02 0.00 -0.51 0.00 0.00 35.03 29.84 2kk0 n LYS 86 CO 0.00 0.00 0.00 1.47 -1.11 0.00 0.00 177.40 177.76 2kk0 n LEU 87 N -0.98 4.73 0.14 -0.35 -0.00 -1.24 -4.50 117.00 114.80 2kk0 n LEU 87 Ca -0.09 -2.29 0.10 0.00 -0.00 0.00 0.00 56.01 53.73 2kk0 n LEU 87 Cb 0.55 -0.86 0.51 0.00 -0.00 0.00 0.00 43.42 43.62 2kk0 n LEU 87 CO 0.13 0.85 0.80 0.79 -0.00 0.00 0.00 177.39 179.96 2kk0 n TRP 88 N 0.76 0.65 -0.04 1.47 7.02 -1.26 -1.70 117.44 124.34 2kk0 n TRP 88 Ca 0.09 0.33 0.03 0.00 -1.02 0.00 0.00 57.50 56.92 2kk0 n TRP 88 Cb 0.59 -1.02 0.38 0.00 -2.42 0.00 0.00 31.31 28.84 2kk0 n TRP 88 CO 0.00 0.00 0.00 0.07 -2.02 0.00 0.00 177.69 175.74 2kk0 h ARG 89 N 0.00 0.61 -0.08 -0.99 0.11 -1.97 -1.59 114.38 110.47 2kk0 h ARG 89 Ca 0.00 -0.05 -0.08 0.00 0.10 0.00 0.00 59.98 59.95 2kk0 h ARG 89 Cb 0.06 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 30.99 2kk0 h ARG 89 CO 0.00 0.43 -0.32 0.93 0.10 0.00 0.00 179.97 181.10 2kk0 h GLU 90 N 0.63 0.16 0.21 0.08 4.39 -1.72 -1.34 114.58 116.99 2kk0 h GLU 90 Ca 0.17 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 2kk0 h GLU 90 Cb -0.04 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2kk0 h GLU 90 CO -0.03 0.47 -0.10 0.82 -1.16 0.00 0.00 179.01 179.01 2kk0 h ILE 91 N 0.14 0.85 -0.14 3.13 1.08 -1.45 -0.82 117.51 120.31 2kk0 h ILE 91 Ca 0.02 -0.86 0.01 0.00 -0.39 0.00 0.00 64.86 63.64 2kk0 h ILE 91 Cb 0.65 1.32 -0.01 0.00 -3.07 0.00 0.00 36.82 35.70 2kk0 h ILE 91 CO 0.05 0.18 0.06 0.71 -0.69 0.00 0.00 178.15 178.46 2kk0 h THR 92 N -0.74 0.99 -0.84 -0.27 1.35 -1.45 -2.29 112.91 109.65 2kk0 h THR 92 Ca -0.03 -0.05 0.05 0.00 -0.55 0.00 0.00 66.41 65.83 2kk0 h THR 92 Cb 0.50 0.84 -0.05 0.00 -1.73 0.00 0.00 68.15 67.71 2kk0 h THR 92 CO 0.05 0.03 0.55 0.50 -0.25 0.00 0.00 175.52 176.40 2kk0 h LYS 93 N 0.14 0.98 0.00 4.72 1.63 -1.30 0.17 116.57 122.90 2kk0 h LYS 93 Ca 0.06 -0.06 -0.05 0.00 -0.85 0.00 0.00 60.65 59.75 2kk0 h LYS 93 Cb 0.02 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.42 2kk0 h LYS 93 CO -0.04 0.65 -0.24 0.78 -3.45 0.00 0.00 179.45 177.14 2kk0 h GLY 94 N 1.01 0.00 -1.21 5.01 0.00 -0.75 -1.85 103.07 105.28 2kk0 h GLY 94 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 2kk0 h GLY 94 CO -0.11 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.47 2kk0 n LEU 95 N -4.14 2.11 -1.09 3.11 4.77 -0.42 -4.91 117.00 116.43 2kk0 n LEU 95 Ca -0.02 -0.90 -0.14 0.00 -0.03 0.00 0.00 56.01 54.92 2kk0 n LEU 95 Cb 0.30 -0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.19 2kk0 n LEU 95 CO 0.36 0.45 -0.13 -3.20 -1.33 0.00 0.00 177.39 173.54 2kk0 n ASN 96 N 0.62 -4.62 -4.85 -1.43 2.85 -0.69 -5.01 115.26 102.12 2kk0 n ASN 96 Ca 0.17 0.31 -0.33 0.00 -0.11 0.00 0.00 54.58 54.62 2kk0 n ASN 96 Cb 0.39 -3.37 -0.06 0.00 1.24 0.00 0.00 39.78 37.99 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 -3.19 4.14 0.23 1.20 1.43 0.45 -4.97 118.68 117.97 2kk0 s LEU 97 Ca 0.00 1.18 -0.31 0.00 -1.03 0.00 0.00 54.13 53.97 2kk0 s LEU 97 Cb 0.00 -3.85 -0.11 0.00 0.03 0.00 0.00 46.19 42.26 2kk0 s LEU 97 CO 0.00 -0.12 1.56 -2.16 0.23 0.00 0.00 176.35 175.86 2kk0 s PRO 98 N -2.75 4.19 0.00 1.29 0.04 -1.26 -3.90 135.00 132.60 2kk0 s PRO 98 Ca 0.50 2.45 0.30 0.00 0.04 0.00 0.00 61.00 64.28 2kk0 s PRO 98 Cb -0.11 -3.09 1.47 0.00 0.04 0.00 0.00 34.50 32.81 2kk0 s PRO 98 CO 0.19 -0.58 2.02 -2.37 0.04 0.00 0.00 177.00 176.30 2kk0 n THR 99 N 3.00 0.00 1.14 1.26 5.66 -1.26 -3.39 114.28 120.69 2kk0 n THR 99 Ca 0.11 -0.01 0.07 0.00 -3.05 0.00 0.00 64.05 61.16 2kk0 n THR 99 Cb 0.38 -0.44 0.22 0.00 -1.55 0.00 0.00 70.33 68.94 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 -1.25 1.54 -4.70 1.09 2.88 -1.26 -4.80 113.62 107.12 2kk0 n SER 100 Ca 0.14 -1.89 -0.42 0.00 -1.33 0.00 0.00 58.87 55.37 2kk0 n SER 100 Cb 0.25 -0.16 -0.03 0.00 -0.75 0.00 0.00 64.21 63.51 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 -1.67 2.50 0.40 2.46 1.01 -1.22 -2.92 121.20 121.76 2kk0 s ILE 101 Ca 0.24 0.14 0.12 0.00 0.00 0.00 0.00 60.65 61.15 2kk0 s ILE 101 Cb 0.13 -3.09 0.34 0.00 0.01 0.00 0.00 42.46 39.84 2kk0 s ILE 101 CO 0.18 0.00 1.91 0.74 0.00 0.00 0.00 174.94 177.77 2kk0 h THR 102 N 4.45 0.83 -0.45 2.92 2.02 -1.88 -3.25 112.91 117.55 2kk0 h THR 102 Ca -0.45 -0.18 -0.28 0.00 0.77 0.00 0.00 66.41 66.27 2kk0 h THR 102 Cb 1.21 0.25 -0.24 0.00 -1.74 0.00 0.00 68.15 67.62 2kk0 h THR 102 CO 0.94 0.10 -0.68 -1.20 0.37 0.00 0.00 175.52 175.05 2kk0 n SER 103 N -4.51 -0.75 -0.14 4.18 7.64 -1.26 -0.60 113.62 118.19 2kk0 n SER 103 Ca 0.15 -2.73 -0.10 0.00 1.01 0.00 0.00 58.87 57.20 2kk0 n SER 103 Cb 0.48 0.54 -0.01 0.00 -1.01 0.00 0.00 64.21 64.21 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 2.50 0.53 -0.90 -0.43 0.00 -1.94 -2.78 119.26 116.24 2kk0 h ALA 104 Ca -0.18 -0.23 0.16 0.00 0.00 0.00 0.00 54.91 54.67 2kk0 h ALA 104 Cb 1.21 -0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.76 2kk0 h ALA 104 CO 0.17 0.26 0.48 0.00 0.00 0.00 0.00 179.25 180.16 2kk0 h ALA 105 N 0.91 1.40 0.01 0.00 0.00 -1.91 0.70 119.26 120.37 2kk0 h ALA 105 Ca 0.12 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 2kk0 h ALA 105 Cb 0.39 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.17 2kk0 h ALA 105 CO 0.01 -0.09 -0.58 0.35 0.00 0.00 0.00 179.25 178.94 2kk0 h PHE 106 N 0.65 0.57 -0.23 0.00 3.57 -1.96 -3.21 116.94 116.33 2kk0 h PHE 106 Ca 0.50 -0.32 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 2kk0 h PHE 106 Cb 0.75 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 2kk0 h PHE 106 CO -0.07 1.14 -0.02 1.15 -2.23 0.00 0.00 178.31 178.28 2kk0 h THR 107 N -0.16 1.27 -0.28 4.41 2.02 -1.15 -2.91 112.91 116.11 2kk0 h THR 107 Ca -0.07 -0.95 0.02 0.00 0.77 0.00 0.00 66.41 66.18 2kk0 h THR 107 Cb 1.30 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 69.12 2kk0 h THR 107 CO 0.11 0.29 0.12 -0.07 0.37 0.00 0.00 175.52 176.35 2kk0 h LEU 108 N 0.17 0.16 -1.21 2.58 3.38 -1.02 -1.70 115.31 117.68 2kk0 h LEU 108 Ca 0.06 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2kk0 h LEU 108 Cb 0.44 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2kk0 h LEU 108 CO 0.02 0.13 0.14 0.08 0.09 0.00 0.00 178.44 178.90 2kk0 h ARG 109 N 0.26 0.69 -0.32 1.13 0.11 -1.59 0.93 114.38 115.59 2kk0 h ARG 109 Ca 0.12 -0.12 -0.07 0.00 0.10 0.00 0.00 59.98 60.01 2kk0 h ARG 109 Cb 0.06 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 31.01 2kk0 h ARG 109 CO -0.10 0.61 -0.08 1.15 0.10 0.00 0.00 179.97 181.65 2kk0 h THR 110 N 0.68 1.28 -0.15 0.08 2.02 -1.25 0.96 112.91 116.53 2kk0 h THR 110 Ca 0.16 -1.13 -0.03 0.00 0.77 0.00 0.00 66.41 66.18 2kk0 h THR 110 Cb 0.21 1.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2kk0 h THR 110 CO -0.01 0.36 -0.04 1.56 0.37 0.00 0.00 175.52 177.76 2kk0 h GLN 111 N 0.40 0.29 -0.79 6.66 1.08 -1.05 -2.45 115.11 119.24 2kk0 h GLN 111 Ca 0.08 -0.11 0.11 0.00 -1.45 0.00 0.00 58.65 57.28 2kk0 h GLN 111 Cb 0.57 -0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 27.91 2kk0 h GLN 111 CO 0.03 0.58 0.42 -0.92 -0.95 0.00 0.00 178.83 177.99 2kk0 h TYR 112 N -0.02 0.74 -0.95 2.96 5.03 -0.81 -1.45 116.97 122.47 2kk0 h TYR 112 Ca 0.04 0.03 0.07 0.00 2.58 0.00 0.00 58.73 61.45 2kk0 h TYR 112 Cb 0.48 -0.21 -0.07 0.00 1.55 0.00 0.00 36.73 38.48 2kk0 h TYR 112 CO 0.05 0.25 0.60 1.98 -1.32 0.00 0.00 178.16 179.72 2kk0 h MET 113 N 0.66 1.05 0.11 1.82 4.05 -0.62 0.50 114.93 122.50 2kk0 h MET 113 Ca 0.40 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.76 2kk0 h MET 113 Cb 0.47 -0.24 0.00 0.00 -0.80 0.00 0.00 31.60 31.03 2kk0 h MET 113 CO -0.30 0.69 -0.06 0.87 0.23 0.00 0.00 176.91 178.35 2kk0 h LYS 114 N 1.08 -0.15 0.00 0.39 1.57 -0.81 -3.37 116.57 115.29 2kk0 h LYS 114 Ca 0.42 0.01 -0.44 0.00 -1.87 0.00 0.00 60.65 58.77 2kk0 h LYS 114 Cb 0.21 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.48 2kk0 h LYS 114 CO -0.18 0.27 -2.45 0.66 -0.57 0.00 0.00 179.45 177.17 2kk0 n TYR 115 N -4.95 0.00 0.21 -1.35 4.01 -0.81 -4.70 117.16 109.57 2kk0 n TYR 115 Ca -0.09 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.77 2kk0 n TYR 115 Cb 0.25 -0.93 -0.04 0.00 -0.31 0.00 0.00 39.34 38.31 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 -4.16 0.55 0.07 7.72 4.77 0.05 -4.33 117.00 121.66 2kk0 n LEU 116 Ca -0.51 0.14 -0.13 0.00 -0.03 0.00 0.00 56.01 55.48 2kk0 n LEU 116 Cb 0.86 -0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.82 2kk0 n LEU 116 CO 0.03 -0.07 0.80 0.22 -1.33 0.00 0.00 177.39 177.04 2kk0 h TYR 117 N 0.00 -0.11 -0.88 -1.77 3.20 -0.27 -0.87 116.97 116.27 2kk0 h TYR 117 Ca 0.00 -0.00 0.20 0.00 3.14 0.00 0.00 58.73 62.07 2kk0 h TYR 117 Cb 0.92 0.04 -0.06 0.00 1.54 0.00 0.00 36.73 39.16 2kk0 h TYR 117 CO 0.00 0.00 0.59 -1.35 -1.64 0.00 0.00 178.16 175.76 2kk0 h PRO 118 N -0.19 0.35 -0.12 1.82 0.11 -1.79 -1.36 132.00 130.81 2kk0 h PRO 118 Ca -0.01 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 65.85 2kk0 h PRO 118 Cb 0.16 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.20 2kk0 h PRO 118 CO 0.02 0.23 -0.80 -0.92 -0.21 0.00 0.00 178.00 176.32 2kk0 h TYR 119 N 0.36 1.04 -0.19 0.65 3.20 -1.61 -1.57 116.97 118.85 2kk0 h TYR 119 Ca 0.45 -0.48 -0.16 0.00 3.14 0.00 0.00 58.73 61.68 2kk0 h TYR 119 Cb 1.19 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 2kk0 h TYR 119 CO -0.00 1.31 -0.56 1.05 -1.64 0.00 0.00 178.16 178.32 2kk0 h GLU 120 N 0.47 0.58 -0.01 1.82 -0.00 -0.45 0.81 114.58 117.80 2kk0 h GLU 120 Ca -0.07 -0.37 -0.14 0.00 -0.00 0.00 0.00 59.36 58.78 2kk0 h GLU 120 Cb 1.43 0.05 -0.02 0.00 -0.00 0.00 0.00 28.75 30.21 2kk0 h GLU 120 CO 0.16 0.99 -0.63 0.00 -0.00 0.00 0.00 179.01 179.53 2kk0 n GLU 122 N -3.80 0.00 0.17 0.00 4.07 -0.59 -3.34 120.64 117.15 2kk0 n GLU 122 Ca -0.01 0.34 0.02 0.00 -0.06 0.00 0.00 57.16 57.45 2kk0 n GLU 122 Cb 0.63 -0.83 0.31 0.00 -0.06 0.00 0.00 31.44 31.48 2kk0 n GLU 122 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 2kk0 h LYS 123 N 0.00 0.00 0.00 5.31 1.79 -1.03 -3.34 116.57 119.31 2kk0 h LYS 123 Ca 0.00 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.22 2kk0 h LYS 123 Cb 0.00 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.61 2kk0 h LYS 123 CO 0.00 0.45 -1.92 -2.13 -1.08 0.00 0.00 179.45 174.76 2kk0 n ARG 124 N -3.86 0.40 -2.45 3.15 3.00 -1.08 -5.05 116.66 110.77 2kk0 n ARG 124 Ca -0.01 0.10 -0.08 0.00 -0.00 0.00 0.00 57.85 57.86 2kk0 n ARG 124 Cb 0.49 -1.30 0.04 0.00 0.00 0.00 0.00 32.46 31.68 2kk0 n ARG 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2kk0 n GLY 125 N 2.66 -0.12 0.07 5.14 0.00 0.30 -4.98 105.19 108.26 2kk0 n GLY 125 Ca -0.29 0.11 -0.07 0.00 0.00 0.00 0.00 46.02 45.77 2kk0 n GLY 125 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kk0 n LEU 126 N -2.42 1.58 -4.94 0.99 4.77 -1.15 -5.00 117.00 110.84 2kk0 n LEU 126 Ca -0.05 0.32 -0.22 0.00 -0.03 0.00 0.00 56.01 56.02 2kk0 n LEU 126 Cb 0.57 -0.71 0.01 0.00 -2.33 0.00 0.00 43.42 40.95 2kk0 n LEU 126 CO 0.30 -0.34 0.13 -0.44 -1.33 0.00 0.00 177.39 175.71 2kk0 s SER 127 N -5.54 4.94 0.07 -1.43 0.01 -1.26 -5.02 113.70 105.47 2kk0 s SER 127 Ca -0.22 -0.95 0.08 0.00 1.31 0.00 0.00 55.95 56.17 2kk0 s SER 127 Cb 0.03 0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.29 2kk0 s SER 127 CO 0.33 -1.03 -0.22 0.20 0.41 0.00 0.00 173.24 172.92 2kk0 s ASN 128 N -4.36 2.69 0.57 2.44 0.01 -1.26 -4.86 114.94 110.17 2kk0 s ASN 128 Ca 0.47 -0.61 0.29 0.00 -0.71 0.00 0.00 52.86 52.30 2kk0 s ASN 128 Cb -0.04 -0.20 1.73 0.00 0.41 0.00 0.00 41.25 43.15 2kk0 s ASN 128 CO 0.29 0.14 2.20 1.55 -1.51 0.00 0.00 177.10 179.77 2kk0 h PRO 129 N 4.50 0.00 0.39 -0.60 0.13 -2.01 -2.36 132.00 132.06 2kk0 h PRO 129 Ca -0.45 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 2kk0 h PRO 129 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2kk0 h PRO 129 CO 0.42 0.04 -0.19 -0.91 -0.23 0.00 0.00 178.00 177.13 2kk0 h ASN 130 N 0.00 -0.45 -0.39 1.44 2.35 -2.03 -3.29 115.58 113.21 2kk0 h ASN 130 Ca -0.00 0.02 0.04 0.00 -0.55 0.00 0.00 56.30 55.80 2kk0 h ASN 130 Cb 0.11 0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 2kk0 h ASN 130 CO 0.00 -0.21 0.26 1.05 -1.65 0.00 0.00 177.43 176.89 2kk0 h GLU 131 N -0.75 0.37 -0.42 0.81 4.11 -1.98 -2.98 114.58 113.74 2kk0 h GLU 131 Ca -0.05 -0.02 0.09 0.00 0.07 0.00 0.00 59.36 59.44 2kk0 h GLU 131 Cb 0.41 -0.08 -0.09 0.00 0.50 0.00 0.00 28.75 29.48 2kk0 h GLU 131 CO 0.09 0.25 -0.23 1.25 0.07 0.00 0.00 179.01 180.43 2kk0 h LEU 132 N 0.38 -0.79 -1.27 3.06 5.85 -1.49 -1.44 115.31 119.61 2kk0 h LEU 132 Ca 0.16 0.17 -0.03 0.00 0.84 0.00 0.00 57.88 59.03 2kk0 h LEU 132 Cb 0.18 0.41 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 2kk0 h LEU 132 CO -0.04 -0.26 0.18 -0.61 -0.34 0.00 0.00 178.44 177.37 2kk0 h GLN 133 N -0.16 0.68 -0.54 1.25 5.75 -1.60 -1.49 115.11 119.00 2kk0 h GLN 133 Ca 0.20 -0.10 -0.03 0.00 -0.15 0.00 0.00 58.65 58.57 2kk0 h GLN 133 Cb 0.47 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.87 2kk0 h GLN 133 CO -0.51 0.57 0.23 0.00 -2.65 0.00 0.00 178.83 176.47 2kk0 h ALA 134 N 1.53 0.70 0.32 3.38 0.00 -1.40 0.19 119.26 123.98 2kk0 h ALA 134 Ca 0.16 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2kk0 h ALA 134 Cb 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2kk0 h ALA 134 CO -0.01 0.30 -0.15 0.00 0.00 0.00 0.00 179.25 179.38 2kk0 h ALA 135 N 1.07 -0.43 -0.11 0.00 0.00 -0.69 -2.37 119.26 116.73 2kk0 h ALA 135 Ca 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2kk0 h ALA 135 Cb 0.17 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2kk0 h ALA 135 CO -0.02 -0.74 0.03 0.82 0.00 0.00 0.00 179.25 179.34 2kk0 h ILE 136 N -0.44 1.19 -0.33 0.00 2.04 -1.24 -2.87 117.51 115.86 2kk0 h ILE 136 Ca -0.04 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 2kk0 h ILE 136 Cb 0.33 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 2kk0 h ILE 136 CO 0.07 0.17 0.11 -0.78 0.00 0.00 0.00 178.15 177.72 2kk0 h ASP 137 N -0.02 0.41 -0.45 1.72 3.58 -1.00 0.03 116.42 120.69 2kk0 h ASP 137 Ca 0.03 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kk0 h ASP 137 Cb 0.24 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 2kk0 h ASP 137 CO -0.00 0.40 0.30 0.28 -2.88 0.00 0.00 179.24 177.33 2kk0 h SER 138 N 0.46 0.53 0.01 2.28 0.02 -1.32 -1.18 113.55 114.34 2kk0 h SER 138 Ca 0.11 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.98 2kk0 h SER 138 Cb 0.12 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2kk0 h SER 138 CO -0.01 0.39 -0.16 0.78 -1.14 0.00 0.00 176.83 176.69 2kk0 h ASN 139 N 0.61 0.29 -0.02 3.07 -0.26 -1.00 -1.80 115.58 116.47 2kk0 h ASN 139 Ca 0.17 -0.07 -0.05 0.00 -0.56 0.00 0.00 56.30 55.79 2kk0 h ASN 139 Cb -0.06 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.11 2kk0 h ASN 139 CO -0.04 0.47 -0.10 0.03 -1.06 0.00 0.00 177.43 176.73 2kk0 h ARG 140 N 0.28 0.27 0.00 0.81 2.47 -0.48 -1.95 114.38 115.78 2kk0 h ARG 140 Ca 0.05 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 2kk0 h ARG 140 Cb 0.45 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.73 2kk0 h ARG 140 CO 0.03 0.39 0.00 -2.13 0.56 0.00 0.00 179.97 178.82 2kk0 n ARG 141 N -4.29 0.07 -3.32 0.04 0.63 -0.50 -4.65 116.66 104.65 2kk0 n ARG 141 Ca -0.00 0.10 -0.44 0.00 -0.92 0.00 0.00 57.85 56.59 2kk0 n ARG 141 Cb 0.26 -1.59 -0.08 0.00 0.45 0.00 0.00 32.46 31.49 2kk0 n ARG 141 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2kk0 s GLU 142 N -3.04 3.05 0.00 -0.14 2.02 -0.73 -4.60 118.70 115.26 2kk0 s GLU 142 Ca 0.12 -0.99 0.00 0.00 0.02 0.00 0.00 54.97 54.12 2kk0 s GLU 142 Cb 0.16 -4.05 0.00 0.00 0.10 0.00 0.00 34.13 30.34 2kk0 s GLU 142 CO 0.52 -0.98 0.00 0.41 0.02 0.00 0.00 175.26 175.22 2kk0 n GLY 143 N 5.16 0.00 3.06 -1.39 0.00 -1.26 -4.95 105.19 105.80 2kk0 n GLY 143 Ca -0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 0.58 0.00 1.61 0.52 -1.26 -5.20 118.95 115.20 2kk0 s ARG 144 Ca 0.00 -0.63 0.26 0.00 -0.52 0.00 0.00 55.73 54.84 2kk0 s ARG 144 Cb 0.00 -0.45 0.72 0.00 0.52 0.00 0.00 34.95 35.74 2kk0 s ARG 144 CO 0.00 0.10 1.56 2.89 0.02 0.00 0.00 175.30 179.87