#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 2.25 3.62 -5.12 0.00 -1.26 -4.99 105.19 99.70 2kk0 n GLY 2 Ca 0.00 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.79 1.33 -0.10 1.61 4.02 -1.26 -4.97 115.29 115.13 2kk0 s HIS 3 Ca 0.00 0.25 -0.01 0.00 1.02 0.00 0.00 55.06 56.32 2kk0 s HIS 3 Cb 0.00 -4.04 0.03 0.00 -1.02 0.00 0.00 32.58 27.55 2kk0 s HIS 3 CO 0.00 -4.35 -0.02 -1.01 1.02 0.00 0.00 174.74 170.38 2kk0 s HIS 4 N 6.78 1.00 -0.08 1.40 0.09 -1.26 -4.73 115.29 118.49 2kk0 s HIS 4 Ca 0.93 -0.44 0.02 0.00 -0.00 0.00 0.00 55.06 55.57 2kk0 s HIS 4 Cb -0.34 -0.98 0.02 0.00 -0.00 0.00 0.00 32.58 31.27 2kk0 s HIS 4 CO 0.36 -0.42 -0.12 -1.01 -0.00 0.00 0.00 174.74 173.55 2kk0 s HIS 5 N 1.86 1.59 -0.32 1.40 3.76 -1.26 -5.12 115.29 117.20 2kk0 s HIS 5 Ca 0.04 -0.66 0.01 0.00 -0.15 0.00 0.00 55.06 54.30 2kk0 s HIS 5 Cb -0.13 -1.18 0.10 0.00 1.11 0.00 0.00 32.58 32.48 2kk0 s HIS 5 CO -0.06 -0.36 0.09 -1.58 -0.85 0.00 0.00 174.74 171.98 2kk0 s HIS 6 N 0.90 2.29 -0.08 1.40 2.46 -1.26 -4.39 115.29 116.60 2kk0 s HIS 6 Ca -0.10 -2.12 -0.05 0.00 0.47 0.00 0.00 55.06 53.26 2kk0 s HIS 6 Cb -0.15 -2.06 0.04 0.00 -0.13 0.00 0.00 32.58 30.27 2kk0 s HIS 6 CO 0.01 -0.89 0.20 -1.01 -2.47 0.00 0.00 174.74 170.57 2kk0 s HIS 7 N 1.36 -0.24 -0.87 3.88 3.76 -1.26 -5.09 115.29 116.83 2kk0 s HIS 7 Ca 0.10 0.61 -0.25 0.00 -0.15 0.00 0.00 55.06 55.38 2kk0 s HIS 7 Cb -0.18 0.02 -0.04 0.00 1.11 0.00 0.00 32.58 33.49 2kk0 s HIS 7 CO -0.19 -0.17 1.90 -1.01 -0.85 0.00 0.00 174.74 174.41 2kk0 s HIS 8 N 0.86 1.84 -0.13 1.40 0.09 -1.26 -4.72 115.29 113.37 2kk0 s HIS 8 Ca -0.06 0.55 -0.29 0.00 -0.00 0.00 0.00 55.06 55.25 2kk0 s HIS 8 Cb -0.08 -4.10 -0.01 0.00 -0.00 0.00 0.00 32.58 28.39 2kk0 s HIS 8 CO -0.05 -1.84 1.08 -1.12 -0.00 0.00 0.00 174.74 172.81 2kk0 s SER 9 N 7.80 7.15 -0.46 1.40 0.01 -1.26 -5.01 113.70 123.32 2kk0 s SER 9 Ca 0.68 1.58 -0.12 0.00 1.31 0.00 0.00 55.95 59.39 2kk0 s SER 9 Cb -0.07 -2.55 0.08 0.00 0.21 0.00 0.00 66.02 63.69 2kk0 s SER 9 CO 0.02 -0.55 0.34 -1.00 0.41 0.00 0.00 173.24 172.46 2kk0 s HIS 10 N 2.43 3.30 0.06 2.43 0.09 -1.26 -5.06 115.29 117.28 2kk0 s HIS 10 Ca 0.50 -1.30 -0.02 0.00 -0.00 0.00 0.00 55.06 54.24 2kk0 s HIS 10 Cb -0.19 -3.17 -0.03 0.00 -0.00 0.00 0.00 32.58 29.18 2kk0 s HIS 10 CO 0.16 -0.86 0.01 -1.64 -0.00 0.00 0.00 174.74 172.41 2kk0 s MET 11 N 1.52 0.67 -0.62 1.40 1.00 -1.26 -5.05 119.30 116.97 2kk0 s MET 11 Ca 0.04 -1.19 -0.24 0.00 0.00 0.00 0.00 55.69 54.29 2kk0 s MET 11 Cb -0.24 0.23 -0.21 0.00 0.00 0.00 0.00 34.83 34.61 2kk0 s MET 11 CO 0.04 -0.14 1.85 -2.30 0.00 0.00 0.00 175.02 174.46 2kk0 n PRO 12 N 0.07 1.12 0.11 2.03 -0.02 -1.26 -4.67 135.00 132.38 2kk0 n PRO 12 Ca -0.14 -1.68 -0.17 0.00 -2.02 0.00 0.00 63.50 59.50 2kk0 n PRO 12 Cb 0.61 -2.89 -0.14 0.00 -0.02 0.00 0.00 33.50 31.07 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 8.59 0.49 -3.85 2.55 3.04 -1.96 -3.47 116.42 121.81 2kk0 h ASP 13 Ca 0.36 -0.51 -0.48 0.00 -3.24 0.00 0.00 57.03 53.16 2kk0 h ASP 13 Cb 0.70 -0.16 0.19 0.00 -1.04 0.00 0.00 39.33 39.02 2kk0 h ASP 13 CO 1.92 1.40 0.15 -1.00 -2.04 0.00 0.00 179.24 179.67 2kk0 s HIS 14 N -2.68 1.71 0.00 4.15 3.76 -1.26 -4.29 115.29 116.69 2kk0 s HIS 14 Ca -0.05 1.43 -0.01 0.00 -0.15 0.00 0.00 55.06 56.29 2kk0 s HIS 14 Cb 0.07 -3.20 -0.03 0.00 1.11 0.00 0.00 32.58 30.53 2kk0 s HIS 14 CO 0.89 -3.08 2.13 0.41 -0.85 0.00 0.00 174.74 174.25 2kk0 n GLY 15 N 0.06 2.52 0.22 -2.22 0.00 -1.26 -4.40 105.19 100.11 2kk0 n GLY 15 Ca 0.07 -0.12 0.15 0.00 0.00 0.00 0.00 46.02 46.12 2kk0 n GLY 15 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2kk0 h ASP 16 N 1.25 0.00 0.14 1.61 5.19 -1.90 -1.35 116.42 121.36 2kk0 h ASP 16 Ca 0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 2kk0 h ASP 16 Cb 1.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.55 2kk0 h ASP 16 CO 0.02 0.00 -0.05 0.79 -3.12 0.00 0.00 179.24 176.89 2kk0 n TRP 17 N -2.59 0.00 -1.82 4.55 7.02 -1.26 -4.93 117.44 118.41 2kk0 n TRP 17 Ca -0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.47 2kk0 n TRP 17 Cb 0.12 -0.08 0.00 0.00 -2.42 0.00 0.00 31.31 28.94 2kk0 n TRP 17 CO 0.00 0.00 0.00 -2.37 -2.02 0.00 0.00 177.69 173.30 2kk0 n THR 18 N -0.66 0.00 -2.66 -0.99 5.66 -0.51 -5.14 114.28 109.99 2kk0 n THR 18 Ca 0.19 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.77 2kk0 n THR 18 Cb 0.25 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.99 2kk0 n THR 18 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 2kk0 s TYR 19 N -2.37 3.66 -0.94 1.09 2.02 -1.26 -4.91 117.35 114.64 2kk0 s TYR 19 Ca 0.00 1.66 0.22 0.00 -0.37 0.00 0.00 57.07 58.58 2kk0 s TYR 19 Cb 0.00 -3.16 -0.08 0.00 -0.40 0.00 0.00 41.96 38.32 2kk0 s TYR 19 CO 0.00 -0.19 0.99 -1.91 -1.57 0.00 0.00 175.55 172.87 2kk0 n GLU 20 N 3.56 0.04 -0.66 -0.62 2.13 -1.26 -4.90 120.64 118.94 2kk0 n GLU 20 Ca 0.05 -0.01 -0.30 0.00 0.66 0.00 0.00 57.16 57.57 2kk0 n GLU 20 Cb 0.50 -1.51 0.20 0.00 0.27 0.00 0.00 31.44 30.90 2kk0 n GLU 20 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2kk0 s GLU 21 N -3.03 0.14 -0.65 5.31 2.56 -1.26 -0.33 118.70 121.44 2kk0 s GLU 21 Ca 0.08 1.18 -0.26 0.00 0.00 0.00 0.00 54.97 55.97 2kk0 s GLU 21 Cb 0.16 -1.65 -0.12 0.00 2.00 0.00 0.00 34.13 34.52 2kk0 s GLU 21 CO 0.84 -3.12 2.47 0.94 -0.56 0.00 0.00 175.26 175.83 2kk0 n GLN 22 N -4.53 0.74 -3.72 4.30 0.00 -0.03 -4.61 117.38 109.53 2kk0 n GLN 22 Ca 0.07 -0.11 -0.21 0.00 -0.00 0.00 0.00 57.00 56.75 2kk0 n GLN 22 Cb 0.53 -3.01 -0.04 0.00 0.00 0.00 0.00 30.24 27.72 2kk0 n GLN 22 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.06 176.47 2kk0 s PHE 23 N 11.51 2.76 0.46 3.69 -0.12 -1.26 -5.03 117.98 129.99 2kk0 s PHE 23 Ca 1.06 -0.43 0.13 0.00 -0.05 0.00 0.00 56.93 57.64 2kk0 s PHE 23 Cb -0.41 -2.00 1.05 0.00 -0.63 0.00 0.00 43.02 41.03 2kk0 s PHE 23 CO 0.30 0.03 2.06 -0.22 -0.05 0.00 0.00 175.22 177.33 2kk0 h LYS 24 N 1.16 0.15 -0.89 1.99 1.63 -2.00 -3.15 116.57 115.46 2kk0 h LYS 24 Ca -0.43 -0.02 0.20 0.00 -0.85 0.00 0.00 60.65 59.55 2kk0 h LYS 24 Cb 1.26 -0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 32.80 2kk0 h LYS 24 CO 0.59 0.18 0.59 0.37 -3.45 0.00 0.00 179.45 177.73 2kk0 h GLN 25 N 0.15 0.41 -0.84 1.90 5.75 -1.97 0.18 115.11 120.68 2kk0 h GLN 25 Ca 0.04 -0.02 0.16 0.00 -0.15 0.00 0.00 58.65 58.68 2kk0 h GLN 25 Cb 0.12 -0.09 -0.06 0.00 1.07 0.00 0.00 27.48 28.52 2kk0 h GLN 25 CO 0.00 0.27 0.55 -0.07 -2.65 0.00 0.00 178.83 176.94 2kk0 h LEU 26 N 0.42 0.47 0.09 -2.39 3.38 -1.98 0.63 115.31 115.93 2kk0 h LEU 26 Ca 0.46 0.03 -0.22 0.00 0.09 0.00 0.00 57.88 58.25 2kk0 h LEU 26 Cb 1.13 -0.06 0.02 0.00 0.09 0.00 0.00 40.66 41.85 2kk0 h LEU 26 CO -0.18 0.22 -0.90 1.88 0.09 0.00 0.00 178.44 179.56 2kk0 h TYR 27 N 0.49 0.74 0.00 1.13 -1.99 -0.89 -3.31 116.97 113.14 2kk0 h TYR 27 Ca 0.42 -0.46 0.00 0.00 2.00 0.00 0.00 58.73 60.69 2kk0 h TYR 27 Cb 0.92 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 39.59 2kk0 h TYR 27 CO -0.00 1.32 0.00 0.39 -0.00 0.00 0.00 178.16 179.87 2kk0 n GLU 28 N -4.04 0.06 -0.19 4.88 1.02 -0.53 -2.35 120.64 119.49 2kk0 n GLU 28 Ca -0.13 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2kk0 n GLU 28 Cb 0.83 -1.50 0.10 0.00 -0.02 0.00 0.00 31.44 30.85 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 0.00 -0.06 0.00 -4.62 3.38 -1.01 -3.30 115.31 109.70 2kk0 h LEU 29 Ca 0.00 0.12 -0.19 0.00 0.09 0.00 0.00 57.88 57.89 2kk0 h LEU 29 Cb 0.31 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 2kk0 h LEU 29 CO 0.00 -0.02 -1.73 0.47 0.09 0.00 0.00 178.44 177.25 2kk0 n ASP 30 N -5.16 2.90 0.00 -0.43 8.00 -1.24 -5.01 116.55 115.60 2kk0 n ASP 30 Ca 0.08 -0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.53 2kk0 n ASP 30 Cb 0.32 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 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 2.79 0.41 3.80 0.44 0.00 -0.99 -5.06 105.19 106.58 2kk0 n GLY 31 Ca -0.22 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.96 6.99 0.30 1.61 2.15 -1.26 -5.00 116.67 118.50 2kk0 s ASP 32 Ca 0.00 1.18 -0.02 0.00 0.43 0.00 0.00 52.55 54.14 2kk0 s ASP 32 Cb 0.00 -2.34 0.46 0.00 -0.30 0.00 0.00 42.92 40.73 2kk0 s ASP 32 CO 0.00 0.22 1.96 1.55 -0.17 0.00 0.00 175.17 178.73 2kk0 h PRO 33 N 4.97 1.04 0.00 4.34 0.13 -1.97 -2.45 132.00 138.06 2kk0 h PRO 33 Ca -0.48 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 64.54 2kk0 h PRO 33 Cb 1.21 -0.23 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 2kk0 h PRO 33 CO 0.65 0.71 -0.16 0.87 -0.23 0.00 0.00 178.00 179.84 2kk0 h LYS 34 N 1.07 0.00 0.05 0.86 1.79 -1.99 -3.11 116.57 115.24 2kk0 h LYS 34 Ca 0.28 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.75 2kk0 h LYS 34 Cb -0.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.56 2kk0 h LYS 34 CO -0.06 0.16 -0.02 -0.09 -1.08 0.00 0.00 179.45 178.35 2kk0 h ARG 35 N 0.00 -0.07 0.00 3.15 2.43 -1.84 0.47 114.38 118.52 2kk0 h ARG 35 Ca -0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 2kk0 h ARG 35 Cb 0.97 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 2kk0 h ARG 35 CO 0.02 0.02 -0.37 1.57 -1.51 0.00 0.00 179.97 179.70 2kk0 h LYS 36 N -0.13 0.00 -0.23 0.20 -0.00 -1.60 -2.26 116.57 112.54 2kk0 h LYS 36 Ca -0.01 0.00 -0.07 0.00 -0.00 0.00 0.00 60.65 60.58 2kk0 h LYS 36 Cb 0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.34 2kk0 h LYS 36 CO 0.01 0.37 -0.11 0.93 -0.00 0.00 0.00 179.45 180.64 2kk0 h GLU 37 N 0.00 0.48 -0.10 0.07 5.08 -1.43 0.11 114.58 118.79 2kk0 h GLU 37 Ca -0.00 -0.21 0.03 0.00 -1.00 0.00 0.00 59.36 58.18 2kk0 h GLU 37 Cb 0.86 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 2kk0 h GLU 37 CO 0.05 0.75 -0.12 0.35 -1.00 0.00 0.00 179.01 179.05 2kk0 h PHE 38 N 0.19 -0.29 -0.62 4.33 3.57 -0.77 -0.79 116.94 122.56 2kk0 h PHE 38 Ca 0.05 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 2kk0 h PHE 38 Cb 0.61 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.47 2kk0 h PHE 38 CO 0.06 -0.18 0.38 -0.07 -2.23 0.00 0.00 178.31 176.28 2kk0 h LEU 39 N -0.15 0.73 0.30 0.59 3.38 -1.40 0.84 115.31 119.61 2kk0 h LEU 39 Ca 0.08 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2kk0 h LEU 39 Cb 0.26 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2kk0 h LEU 39 CO -0.19 0.56 -0.14 -0.78 0.09 0.00 0.00 178.44 177.97 2kk0 h ASP 40 N 0.85 -0.34 -0.68 -0.43 1.82 -0.04 -0.39 116.42 117.21 2kk0 h ASP 40 Ca 0.23 -0.05 -0.05 0.00 -0.39 0.00 0.00 57.03 56.76 2kk0 h ASP 40 Cb -0.05 0.09 -0.03 0.00 0.68 0.00 0.00 39.33 40.02 2kk0 h ASP 40 CO -0.04 -0.17 0.22 0.44 -1.61 0.00 0.00 179.24 178.07 2kk0 h ASP 41 N -0.49 0.99 0.15 2.28 5.19 -1.06 -2.87 116.42 120.62 2kk0 h ASP 41 Ca -0.04 -0.21 0.02 0.00 -0.62 0.00 0.00 57.03 56.18 2kk0 h ASP 41 Cb 0.37 -0.26 -0.04 0.00 0.18 0.00 0.00 39.33 39.57 2kk0 h ASP 41 CO 0.07 0.94 -0.41 0.25 -3.12 0.00 0.00 179.24 176.96 2kk0 h LEU 42 N 1.00 -1.20 -0.06 1.55 5.85 -0.63 0.21 115.31 122.02 2kk0 h LEU 42 Ca 0.22 0.13 0.03 0.00 0.84 0.00 0.00 57.88 59.10 2kk0 h LEU 42 Cb 0.29 0.45 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 2kk0 h LEU 42 CO -0.01 -0.49 -0.13 -0.26 -0.34 0.00 0.00 178.44 177.21 2kk0 h PHE 43 N -0.66 -0.34 -0.54 1.25 0.04 -1.06 -0.33 116.94 115.30 2kk0 h PHE 43 Ca 0.02 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 2kk0 h PHE 43 Cb 0.68 0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.96 2kk0 h PHE 43 CO -0.35 -0.20 0.23 1.03 -0.60 0.00 0.00 178.31 178.43 2kk0 h SER 44 N -0.20 0.70 0.33 2.17 0.87 -1.38 -0.05 113.55 116.00 2kk0 h SER 44 Ca 0.07 -0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 2kk0 h SER 44 Cb 0.29 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2kk0 h SER 44 CO -0.18 0.62 -0.16 0.15 -0.53 0.00 0.00 176.83 176.74 2kk0 h PHE 45 N 0.77 -0.41 -0.04 2.24 3.04 0.05 -3.10 116.94 119.49 2kk0 h PHE 45 Ca 0.19 -0.01 -0.15 0.00 3.98 0.00 0.00 57.97 61.98 2kk0 h PHE 45 Cb 0.13 0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.76 2kk0 h PHE 45 CO 0.01 -0.08 -0.66 0.00 -2.02 0.00 0.00 178.31 175.56 2kk0 h MET 46 N -0.81 0.15 -0.17 1.11 -0.00 -1.07 -3.26 114.93 110.89 2kk0 h MET 46 Ca -0.05 -0.12 0.05 0.00 -0.00 0.00 0.00 59.70 59.59 2kk0 h MET 46 Cb 0.52 0.02 -0.07 0.00 -0.00 0.00 0.00 31.60 32.07 2kk0 h MET 46 CO 0.07 0.75 -0.31 0.37 -0.00 0.00 0.00 176.91 177.80 2kk0 h GLN 47 N 0.11 -0.35 0.00 -0.10 4.15 -1.00 -1.32 115.11 116.59 2kk0 h GLN 47 Ca -0.01 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2kk0 h GLN 47 Cb 1.18 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.95 2kk0 h GLN 47 CO 0.10 -0.23 0.00 1.63 -1.93 0.00 0.00 178.83 178.39 2kk0 n LYS 48 N -5.41 0.15 -0.83 1.69 5.02 -1.17 -1.03 118.16 116.58 2kk0 n LYS 48 Ca -0.02 0.34 0.07 0.00 -2.02 0.00 0.00 58.31 56.68 2kk0 n LYS 48 Cb 0.32 -1.76 0.39 0.00 -0.02 0.00 0.00 35.03 33.97 2kk0 n LYS 48 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2kk0 n ARG 49 N -2.03 4.62 -2.36 1.97 1.85 -1.05 -4.95 116.66 114.71 2kk0 n ARG 49 Ca 0.03 -3.11 0.00 0.00 -1.00 0.00 0.00 57.85 53.77 2kk0 n ARG 49 Cb 0.24 -2.19 0.00 0.00 -1.05 0.00 0.00 32.46 29.46 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 0.63 0.88 3.04 2.89 0.00 -0.19 -5.04 105.19 107.39 2kk0 n GLY 50 Ca 0.27 -0.69 -0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.82 -0.90 0.59 2.61 -1.32 -0.53 -5.02 115.64 108.26 2kk0 s THR 51 Ca 0.00 -0.24 -0.06 0.00 -1.21 0.00 0.00 61.69 60.17 2kk0 s THR 51 Cb 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.99 2kk0 s THR 51 CO 0.00 0.00 0.91 -2.16 -2.21 0.00 0.00 174.62 171.16 2kk0 s PRO 52 N 1.60 2.98 -0.64 7.08 0.04 -1.26 -3.36 135.00 141.44 2kk0 s PRO 52 Ca 0.19 0.07 -0.24 0.00 0.04 0.00 0.00 61.00 61.06 2kk0 s PRO 52 Cb -0.02 -2.25 0.05 0.00 0.04 0.00 0.00 34.50 32.32 2kk0 s PRO 52 CO -0.07 -0.69 1.03 0.08 0.04 0.00 0.00 177.00 177.38 2kk0 s VAL 53 N -3.01 4.21 0.00 -0.36 1.01 -1.26 -4.91 120.40 116.08 2kk0 s VAL 53 Ca 0.54 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.56 2kk0 s VAL 53 Cb -0.11 -4.69 0.00 0.00 0.00 0.00 0.00 36.38 31.59 2kk0 s VAL 53 CO 0.46 -1.43 0.00 -3.20 0.00 0.00 0.00 175.10 170.93 2kk0 n ASN 54 N 7.99 0.00 -4.78 3.32 2.85 -1.26 -4.59 115.26 118.80 2kk0 n ASN 54 Ca -0.00 0.08 -0.27 0.00 -0.11 0.00 0.00 54.58 54.29 2kk0 n ASN 54 Cb 0.47 -0.12 -0.06 0.00 1.24 0.00 0.00 39.78 41.31 2kk0 n ASN 54 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kk0 s ARG 55 N -0.23 2.82 -0.16 1.20 1.70 -1.26 -0.85 118.95 122.17 2kk0 s ARG 55 Ca 0.00 -0.89 -0.07 0.00 -0.47 0.00 0.00 55.73 54.30 2kk0 s ARG 55 Cb 0.00 -2.61 -0.04 0.00 -0.57 0.00 0.00 34.95 31.73 2kk0 s ARG 55 CO 0.00 0.49 0.06 0.42 -1.08 0.00 0.00 175.30 175.19 2kk0 s ILE 56 N -1.71 4.82 -0.38 4.99 1.01 0.55 -4.90 121.20 125.57 2kk0 s ILE 56 Ca 0.30 -0.03 -0.28 0.00 0.00 0.00 0.00 60.65 60.65 2kk0 s ILE 56 Cb -0.10 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 2kk0 s ILE 56 CO 0.22 0.51 1.96 -2.16 0.00 0.00 0.00 174.94 175.47 2kk0 s PRO 57 N -0.02 3.00 -0.38 2.79 0.04 -1.26 -4.93 135.00 134.24 2kk0 s PRO 57 Ca 0.06 1.37 -0.28 0.00 0.04 0.00 0.00 61.00 62.20 2kk0 s PRO 57 Cb -0.12 -4.32 0.02 0.00 0.04 0.00 0.00 34.50 30.12 2kk0 s PRO 57 CO 0.01 -2.25 1.05 0.42 0.04 0.00 0.00 177.00 176.27 2kk0 s ILE 58 N 8.25 4.44 -0.13 0.56 -1.09 -1.26 -2.72 121.20 129.25 2kk0 s ILE 58 Ca 0.83 1.41 -0.02 0.00 -2.23 0.00 0.00 60.65 60.64 2kk0 s ILE 58 Cb -0.22 -4.45 -0.03 0.00 -1.58 0.00 0.00 42.46 36.18 2kk0 s ILE 58 CO 0.30 -0.67 -0.06 -0.32 -1.23 0.00 0.00 174.94 172.97 2kk0 s MET 59 N 3.85 3.45 -1.49 2.79 -2.45 0.69 -4.58 119.30 121.56 2kk0 s MET 59 Ca 0.44 -0.55 -0.02 0.00 -1.25 0.00 0.00 55.69 54.31 2kk0 s MET 59 Cb -0.10 -2.81 0.01 0.00 1.25 0.00 0.00 34.83 33.18 2kk0 s MET 59 CO 0.21 0.33 0.17 0.00 1.05 0.00 0.00 175.02 176.78 2kk0 n ALA 60 N 3.26 -0.78 -1.06 4.11 0.00 -1.26 -0.92 120.51 123.86 2kk0 n ALA 60 Ca -0.18 0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.41 2kk0 n ALA 60 Cb 0.53 -2.41 -0.01 0.00 0.00 0.00 0.00 19.45 17.55 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 -3.23 -0.71 -4.28 0.00 4.76 -1.26 -5.02 118.16 108.42 2kk0 n LYS 61 Ca -0.17 0.34 -0.15 0.00 -2.87 0.00 0.00 58.31 55.45 2kk0 n LYS 61 Cb 0.64 -3.97 -0.10 0.00 -1.84 0.00 0.00 35.03 29.76 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 -1.23 1.15 0.16 1.97 -2.07 -0.10 -5.05 119.66 114.49 2kk0 s GLN 62 Ca 0.00 -1.51 -0.31 0.00 -1.82 0.00 0.00 55.36 51.72 2kk0 s GLN 62 Cb 0.00 -0.71 -0.09 0.00 -1.09 0.00 0.00 33.01 31.12 2kk0 s GLN 62 CO 0.00 0.06 1.47 0.54 -1.32 0.00 0.00 175.29 176.04 2kk0 s VAL 63 N -3.28 2.92 -0.32 3.63 0.11 -1.26 -0.22 120.40 121.98 2kk0 s VAL 63 Ca 0.20 0.68 -0.29 0.00 -2.93 0.00 0.00 61.98 59.64 2kk0 s VAL 63 Cb 0.03 -3.44 -0.02 0.00 -1.53 0.00 0.00 36.38 31.42 2kk0 s VAL 63 CO 0.03 0.06 1.70 -0.22 -3.33 0.00 0.00 175.10 173.34 2kk0 s LEU 64 N 0.83 3.60 -0.93 2.54 2.96 -1.10 -4.82 118.68 121.76 2kk0 s LEU 64 Ca 0.66 1.30 -0.25 0.00 -0.22 0.00 0.00 54.13 55.61 2kk0 s LEU 64 Cb -0.40 -3.53 -0.13 0.00 0.50 0.00 0.00 46.19 42.62 2kk0 s LEU 64 CO 0.33 -1.57 2.18 -0.62 -1.32 0.00 0.00 176.35 175.36 2kk0 s ASP 65 N 5.34 4.17 0.25 3.68 -1.08 -1.26 -4.78 116.67 122.98 2kk0 s ASP 65 Ca 0.75 -0.55 -0.03 0.00 -0.52 0.00 0.00 52.55 52.19 2kk0 s ASP 65 Cb -0.22 -2.57 0.41 0.00 -1.46 0.00 0.00 42.92 39.08 2kk0 s ASP 65 CO 0.33 -3.77 1.83 -0.07 0.52 0.00 0.00 175.17 174.01 2kk0 h LEU 66 N 20.97 0.81 0.09 -1.34 3.38 -1.97 0.32 115.31 137.57 2kk0 h LEU 66 Ca 0.05 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2kk0 h LEU 66 Cb 0.99 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2kk0 h LEU 66 CO 1.08 0.48 -0.04 0.15 0.09 0.00 0.00 178.44 180.19 2kk0 h PHE 67 N 0.92 -0.11 -0.06 1.13 3.57 -1.95 -1.94 116.94 118.51 2kk0 h PHE 67 Ca 0.41 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.81 2kk0 h PHE 67 Cb 0.31 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 2kk0 h PHE 67 CO -0.04 -0.02 -0.42 0.52 -2.23 0.00 0.00 178.31 176.12 2kk0 h MET 68 N -0.17 0.14 0.01 1.11 2.86 -1.87 -2.83 114.93 114.18 2kk0 h MET 68 Ca -0.01 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2kk0 h MET 68 Cb 0.14 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 2kk0 h MET 68 CO 0.02 0.54 -0.02 1.25 1.06 0.00 0.00 176.91 179.76 2kk0 h LEU 69 N 0.11 -0.04 -0.64 1.22 5.85 -0.11 0.15 115.31 121.86 2kk0 h LEU 69 Ca 0.01 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.79 2kk0 h LEU 69 Cb 0.80 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 2kk0 h LEU 69 CO 0.06 -0.03 0.34 0.22 -0.34 0.00 0.00 178.44 178.70 2kk0 h TYR 70 N -0.03 0.63 -0.26 1.25 3.20 -1.29 -0.36 116.97 120.10 2kk0 h TYR 70 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2kk0 h TYR 70 Cb 0.04 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 2kk0 h TYR 70 CO -0.09 0.29 0.17 0.28 -1.64 0.00 0.00 178.16 177.18 2kk0 h VAL 71 N 0.64 1.06 -0.61 1.81 2.07 -1.20 -0.86 116.25 119.15 2kk0 h VAL 71 Ca 0.29 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.62 2kk0 h VAL 71 Cb 0.19 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 2kk0 h VAL 71 CO -0.19 0.06 0.11 -0.07 0.02 0.00 0.00 177.57 177.51 2kk0 h LEU 72 N 0.35 0.94 -0.09 2.57 -0.00 -0.30 -1.79 115.31 116.99 2kk0 h LEU 72 Ca 0.10 -0.20 -0.11 0.00 -0.00 0.00 0.00 57.88 57.66 2kk0 h LEU 72 Cb -0.03 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 40.39 2kk0 h LEU 72 CO -0.03 0.93 -0.38 0.58 -0.00 0.00 0.00 178.44 179.54 2kk0 h VAL 73 N 0.93 1.40 -0.68 1.22 2.07 -0.95 -3.26 116.25 116.99 2kk0 h VAL 73 Ca 0.19 -1.75 -0.04 0.00 0.82 0.00 0.00 66.70 65.93 2kk0 h VAL 73 Cb 0.39 2.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 2kk0 h VAL 73 CO 0.01 0.51 0.27 0.71 0.02 0.00 0.00 177.57 179.09 2kk0 h THR 74 N -0.04 1.24 0.00 2.57 1.35 -1.13 -2.02 112.91 114.88 2kk0 h THR 74 Ca -0.02 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 2kk0 h THR 74 Cb 1.03 0.47 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 2kk0 h THR 74 CO 0.08 0.30 0.00 -1.84 -0.25 0.00 0.00 175.52 173.81 2kk0 n GLU 75 N -4.39 0.12 0.01 4.72 0.28 -0.68 -1.08 120.64 119.63 2kk0 n GLU 75 Ca 0.05 0.54 0.05 0.00 -0.16 0.00 0.00 57.16 57.63 2kk0 n GLU 75 Cb 0.17 -1.84 -0.11 0.00 1.43 0.00 0.00 31.44 31.10 2kk0 n GLU 75 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2kk0 n LYS 76 N -2.09 0.64 0.00 3.44 4.76 -0.85 -4.99 118.16 119.08 2kk0 n LYS 76 Ca 0.00 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 2kk0 n LYS 76 Cb 0.09 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 31.61 2kk0 n LYS 76 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kk0 n GLY 77 N 1.36 1.17 0.00 0.72 0.00 -0.24 -4.86 105.19 103.33 2kk0 n GLY 77 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 3.19 0.38 -0.02 0.00 -0.82 -4.52 105.19 103.39 2kk0 n GLY 78 Ca 0.00 -1.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.22 -0.75 0.99 5.85 -1.97 -1.61 115.31 116.61 2kk0 h LEU 79 Ca 0.00 0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.94 2kk0 h LEU 79 Cb 0.00 0.51 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 2kk0 h LEU 79 CO 0.00 -0.40 0.46 0.58 -0.34 0.00 0.00 178.44 178.74 2kk0 h VAL 80 N -0.44 1.05 -0.48 1.05 2.07 -1.93 -0.42 116.25 117.15 2kk0 h VAL 80 Ca 0.09 -0.30 0.07 0.00 0.82 0.00 0.00 66.70 67.39 2kk0 h VAL 80 Cb 0.60 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.41 2kk0 h VAL 80 CO -0.41 0.16 0.13 -0.08 0.02 0.00 0.00 177.57 177.39 2kk0 h GLU 81 N 0.86 0.27 -0.59 1.57 4.57 -1.71 0.14 114.58 119.69 2kk0 h GLU 81 Ca 0.32 -0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.43 2kk0 h GLU 81 Cb 0.11 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 2kk0 h GLU 81 CO -0.15 0.18 0.17 0.28 -1.18 0.00 0.00 179.01 178.31 2kk0 h VAL 82 N 0.28 1.23 -0.18 0.32 2.07 -0.37 0.12 116.25 119.73 2kk0 h VAL 82 Ca 0.23 -0.81 -0.15 0.00 0.82 0.00 0.00 66.70 66.79 2kk0 h VAL 82 Cb 0.28 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2kk0 h VAL 82 CO -0.28 0.31 -0.53 0.40 0.02 0.00 0.00 177.57 177.50 2kk0 h ILE 83 N 0.87 1.33 0.00 4.57 2.04 -0.23 0.36 117.51 126.45 2kk0 h ILE 83 Ca 0.19 -1.77 -0.18 0.00 1.00 0.00 0.00 64.86 64.10 2kk0 h ILE 83 Cb 0.28 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 2kk0 h ILE 83 CO -0.01 0.55 -0.84 0.78 0.00 0.00 0.00 178.15 178.63 2kk0 h ASN 84 N 0.39 0.02 0.93 1.72 2.35 -0.50 -3.21 115.58 117.28 2kk0 h ASN 84 Ca 0.01 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2kk0 h ASN 84 Cb 1.05 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.42 2kk0 h ASN 84 CO 0.10 0.85 -0.74 0.11 -1.65 0.00 0.00 177.43 176.10 2kk0 h LYS 85 N 0.01 0.00 -0.43 0.81 1.79 -0.89 -3.48 116.57 114.38 2kk0 h LYS 85 Ca -0.01 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.27 2kk0 h LYS 85 Cb 1.48 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 32.06 2kk0 h LYS 85 CO 0.11 0.00 -0.17 1.63 -1.08 0.00 0.00 179.45 179.94 2kk0 n LYS 86 N -2.32 -1.75 -0.18 3.15 4.01 0.13 -4.85 118.16 116.35 2kk0 n LYS 86 Ca 0.02 0.81 -0.02 0.00 -0.51 0.00 0.00 58.31 58.62 2kk0 n LYS 86 Cb 0.48 -5.25 0.01 0.00 -0.51 0.00 0.00 35.03 29.75 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 -1.02 3.71 0.34 -0.35 -0.00 -1.19 -4.19 117.00 114.30 2kk0 n LEU 87 Ca -0.09 -1.83 0.20 0.00 -0.00 0.00 0.00 56.01 54.29 2kk0 n LEU 87 Cb 0.58 -0.64 1.09 0.00 -0.00 0.00 0.00 43.42 44.45 2kk0 n LEU 87 CO 0.14 0.64 1.17 -0.50 -0.00 0.00 0.00 177.39 178.83 2kk0 h TRP 88 N 0.27 0.00 -0.84 1.47 4.06 -1.89 0.19 115.95 119.20 2kk0 h TRP 88 Ca 0.05 0.00 0.02 0.00 2.06 0.00 0.00 58.89 61.02 2kk0 h TRP 88 Cb 1.11 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.23 2kk0 h TRP 88 CO 0.16 0.00 0.56 0.00 -3.56 0.00 0.00 178.44 175.60 2kk0 h ARG 89 N 0.00 1.05 -0.23 0.49 2.47 -1.90 -1.00 114.38 115.26 2kk0 h ARG 89 Ca 0.00 -0.06 -0.17 0.00 -1.26 0.00 0.00 59.98 58.49 2kk0 h ARG 89 Cb 0.22 -0.24 -0.00 0.00 -1.65 0.00 0.00 29.97 28.30 2kk0 h ARG 89 CO -0.00 0.70 -0.54 0.93 0.56 0.00 0.00 179.97 181.62 2kk0 h GLU 90 N 1.09 0.69 0.34 0.04 4.39 -0.98 -2.49 114.58 117.65 2kk0 h GLU 90 Ca 0.32 -0.43 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 2kk0 h GLU 90 Cb -0.04 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2kk0 h GLU 90 CO -0.09 1.05 -0.16 0.82 -1.16 0.00 0.00 179.01 179.47 2kk0 h ILE 91 N 0.53 0.68 0.00 3.13 1.08 -1.31 0.12 117.51 121.75 2kk0 h ILE 91 Ca 0.01 -0.33 0.03 0.00 -0.39 0.00 0.00 64.86 64.18 2kk0 h ILE 91 Cb 1.11 0.86 -0.04 0.00 -3.07 0.00 0.00 36.82 35.67 2kk0 h ILE 91 CO 0.11 0.07 -0.22 0.71 -0.69 0.00 0.00 178.15 178.12 2kk0 h THR 92 N -0.64 0.48 -0.74 -0.27 1.35 -1.28 -0.93 112.91 110.88 2kk0 h THR 92 Ca -0.05 0.00 0.10 0.00 -0.55 0.00 0.00 66.41 65.91 2kk0 h THR 92 Cb 0.46 0.48 -0.05 0.00 -1.73 0.00 0.00 68.15 67.31 2kk0 h THR 92 CO 0.08 0.00 0.49 0.50 -0.25 0.00 0.00 175.52 176.33 2kk0 h LYS 93 N -0.35 0.61 -0.09 4.72 1.63 -1.44 0.13 116.57 121.78 2kk0 h LYS 93 Ca 0.06 -0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 59.73 2kk0 h LYS 93 Cb 0.43 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 2kk0 h LYS 93 CO -0.20 0.40 -0.35 0.78 -3.45 0.00 0.00 179.45 176.63 2kk0 h GLY 94 N 0.63 0.19 -1.16 5.01 0.00 0.21 -2.45 103.07 105.49 2kk0 h GLY 94 Ca 0.34 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.51 2kk0 h GLY 94 CO -0.12 0.15 0.00 1.04 0.00 0.00 0.00 176.54 177.60 2kk0 n LEU 95 N -4.08 1.69 -0.12 3.11 4.77 -0.32 -4.88 117.00 117.17 2kk0 n LEU 95 Ca -0.01 -0.85 -0.02 0.00 -0.03 0.00 0.00 56.01 55.10 2kk0 n LEU 95 Cb 0.42 -0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 41.30 2kk0 n LEU 95 CO 0.40 0.42 -0.02 -3.20 -1.33 0.00 0.00 177.39 173.67 2kk0 n ASN 96 N 0.43 -4.39 -4.83 -1.43 2.85 -0.92 -5.01 115.26 101.96 2kk0 n ASN 96 Ca 0.11 0.04 -0.33 0.00 -0.11 0.00 0.00 54.58 54.29 2kk0 n ASN 96 Cb 0.27 -2.03 -0.06 0.00 1.24 0.00 0.00 39.78 39.20 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 -0.36 3.86 -0.35 1.20 1.43 0.31 -4.96 118.68 119.80 2kk0 s LEU 97 Ca 0.00 1.65 -0.27 0.00 -1.03 0.00 0.00 54.13 54.47 2kk0 s LEU 97 Cb 0.00 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.66 2kk0 s LEU 97 CO 0.00 -0.42 2.14 -2.16 0.23 0.00 0.00 176.35 176.14 2kk0 s PRO 98 N -3.42 2.86 0.60 1.29 0.04 -1.26 -3.72 135.00 131.39 2kk0 s PRO 98 Ca 0.61 1.59 0.29 0.00 0.04 0.00 0.00 61.00 63.53 2kk0 s PRO 98 Cb -0.09 -4.39 1.60 0.00 0.04 0.00 0.00 34.50 31.66 2kk0 s PRO 98 CO 0.18 -2.42 1.89 0.00 0.04 0.00 0.00 177.00 176.69 2kk0 h THR 99 N 7.19 0.00 -0.38 1.26 1.03 -1.88 -1.59 112.91 118.54 2kk0 h THR 99 Ca -0.33 0.00 -0.04 0.00 -0.01 0.00 0.00 66.41 66.03 2kk0 h THR 99 Cb 1.22 0.65 -0.02 0.00 -1.07 0.00 0.00 68.15 68.93 2kk0 h THR 99 CO 1.05 0.00 0.04 -0.24 -0.01 0.00 0.00 175.52 176.37 2kk0 n SER 100 N -2.76 3.85 -4.65 0.00 2.88 -1.26 -4.88 113.62 106.80 2kk0 n SER 100 Ca -0.02 -2.62 -0.42 0.00 -1.33 0.00 0.00 58.87 54.48 2kk0 n SER 100 Cb 0.30 -0.63 -0.03 0.00 -0.75 0.00 0.00 64.21 63.11 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 -2.07 3.36 -0.26 2.46 1.01 -0.60 -4.49 121.20 120.61 2kk0 s ILE 101 Ca 0.33 0.42 -0.36 0.00 0.00 0.00 0.00 60.65 61.05 2kk0 s ILE 101 Cb 0.26 -3.30 -0.12 0.00 0.01 0.00 0.00 42.46 39.31 2kk0 s ILE 101 CO 0.09 -0.07 2.02 0.41 0.00 0.00 0.00 174.94 177.40 2kk0 n THR 102 N 5.84 0.33 -1.93 2.92 -1.04 -1.26 -1.34 114.28 117.79 2kk0 n THR 102 Ca 0.19 -0.19 -0.14 0.00 -2.04 0.00 0.00 64.05 61.88 2kk0 n THR 102 Cb 0.43 -1.68 -0.03 0.00 -1.82 0.00 0.00 70.33 67.23 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 8.23 -4.45 -0.24 8.00 7.64 -1.26 -4.91 113.62 126.63 2kk0 n SER 103 Ca 0.33 0.13 0.04 0.00 1.01 0.00 0.00 58.87 60.37 2kk0 n SER 103 Cb 0.24 -3.45 0.16 0.00 -1.01 0.00 0.00 64.21 60.16 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 0.41 0.99 -0.42 -0.43 0.00 -1.59 -1.92 119.26 116.29 2kk0 h ALA 104 Ca -0.31 0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.78 2kk0 h ALA 104 Cb 1.12 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 2kk0 h ALA 104 CO 0.40 -0.20 0.03 0.00 0.00 0.00 0.00 179.25 179.48 2kk0 h ALA 105 N 1.51 0.41 -0.31 0.00 0.00 -1.90 -0.12 119.26 118.86 2kk0 h ALA 105 Ca 0.38 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.46 2kk0 h ALA 105 Cb 0.55 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 2kk0 h ALA 105 CO -0.38 -0.37 -0.01 0.35 0.00 0.00 0.00 179.25 178.84 2kk0 h PHE 106 N 0.14 -0.04 -0.03 0.00 3.57 -1.76 -1.46 116.94 117.36 2kk0 h PHE 106 Ca 0.21 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 2kk0 h PHE 106 Cb 0.29 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 2kk0 h PHE 106 CO -0.25 -0.07 -0.02 1.15 -2.23 0.00 0.00 178.31 176.89 2kk0 h THR 107 N 0.07 1.33 -0.71 4.41 2.02 -1.09 -3.20 112.91 115.75 2kk0 h THR 107 Ca 0.15 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.30 2kk0 h THR 107 Cb 0.21 1.96 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 2kk0 h THR 107 CO -0.26 0.28 0.45 -0.07 0.37 0.00 0.00 175.52 176.28 2kk0 h LEU 108 N -0.33 0.83 -0.52 2.58 3.38 -0.98 -1.98 115.31 118.29 2kk0 h LEU 108 Ca 0.01 -0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.04 2kk0 h LEU 108 Cb 0.45 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 40.91 2kk0 h LEU 108 CO 0.01 0.63 -0.01 -0.09 0.09 0.00 0.00 178.44 179.06 2kk0 h ARG 109 N 0.96 0.10 -0.02 1.13 2.43 -1.31 -1.21 114.38 116.47 2kk0 h ARG 109 Ca 0.26 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 2kk0 h ARG 109 Cb -0.07 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2kk0 h ARG 109 CO -0.05 0.07 -0.08 1.15 -1.51 0.00 0.00 179.97 179.55 2kk0 h THR 110 N 0.10 1.48 -0.47 0.20 2.02 -1.49 -2.80 112.91 111.95 2kk0 h THR 110 Ca 0.26 -1.53 -0.02 0.00 0.77 0.00 0.00 66.41 65.90 2kk0 h THR 110 Cb 0.40 2.44 -0.02 0.00 -1.74 0.00 0.00 68.15 69.23 2kk0 h THR 110 CO -0.44 0.41 0.23 1.56 0.37 0.00 0.00 175.52 177.65 2kk0 h GLN 111 N -0.49 0.67 -0.94 6.66 1.08 -1.23 0.14 115.11 120.99 2kk0 h GLN 111 Ca -0.00 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 2kk0 h GLN 111 Cb 0.71 -0.12 -0.05 0.00 -0.05 0.00 0.00 27.48 27.97 2kk0 h GLN 111 CO 0.02 0.56 0.60 -0.92 -0.95 0.00 0.00 178.83 178.14 2kk0 h TYR 112 N 0.62 1.21 -0.82 2.96 3.20 -1.34 -2.32 116.97 120.47 2kk0 h TYR 112 Ca 0.16 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 2kk0 h TYR 112 Cb 0.10 -0.40 -0.04 0.00 1.54 0.00 0.00 36.73 37.93 2kk0 h TYR 112 CO -0.01 0.78 0.40 1.98 -1.64 0.00 0.00 178.16 179.66 2kk0 h MET 113 N 1.29 1.18 0.11 1.82 4.05 -1.08 0.18 114.93 122.48 2kk0 h MET 113 Ca 0.34 -0.17 -0.01 0.00 -0.28 0.00 0.00 59.70 59.59 2kk0 h MET 113 Cb -0.11 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 30.47 2kk0 h MET 113 CO -0.07 0.91 -0.05 0.87 0.23 0.00 0.00 176.91 178.79 2kk0 h LYS 114 N 1.17 -0.15 0.00 0.39 1.57 -0.60 -3.35 116.57 115.60 2kk0 h LYS 114 Ca 0.28 0.01 -0.36 0.00 -1.87 0.00 0.00 60.65 58.72 2kk0 h LYS 114 Cb 0.11 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 2kk0 h LYS 114 CO -0.04 0.06 -2.06 0.66 -0.57 0.00 0.00 179.45 177.51 2kk0 n TYR 115 N -5.07 0.25 -0.01 -1.35 4.01 -0.91 -4.77 117.16 109.30 2kk0 n TYR 115 Ca -0.08 0.11 0.10 0.00 -0.16 0.00 0.00 57.90 57.86 2kk0 n TYR 115 Cb 0.16 -0.97 -0.17 0.00 -0.31 0.00 0.00 39.34 38.05 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 -4.32 0.00 0.15 7.72 4.77 0.42 -4.63 117.00 121.11 2kk0 n LEU 116 Ca -0.44 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.39 2kk0 n LEU 116 Cb 0.79 0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.83 2kk0 n LEU 116 CO 0.08 0.03 0.62 0.22 -1.33 0.00 0.00 177.39 177.01 2kk0 h TYR 117 N 0.00 -1.03 -0.08 -1.77 3.20 -1.11 -1.91 116.97 114.27 2kk0 h TYR 117 Ca -0.03 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.88 2kk0 h TYR 117 Cb 1.07 0.43 -0.00 0.00 1.54 0.00 0.00 36.73 39.76 2kk0 h TYR 117 CO 0.00 -0.49 0.18 -1.00 -1.64 0.00 0.00 178.16 175.21 2kk0 h PRO 118 N -0.66 0.00 -0.22 1.82 0.13 -1.82 -1.90 132.00 129.36 2kk0 h PRO 118 Ca 0.01 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.03 2kk0 h PRO 118 Cb 0.65 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.78 2kk0 h PRO 118 CO -0.17 0.00 -0.31 -0.92 -0.23 0.00 0.00 178.00 176.37 2kk0 h TYR 119 N 0.00 0.73 -0.32 1.56 3.20 -1.63 -2.16 116.97 118.35 2kk0 h TYR 119 Ca 0.04 -0.24 -0.09 0.00 3.14 0.00 0.00 58.73 61.58 2kk0 h TYR 119 Cb 0.39 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 2kk0 h TYR 119 CO 0.00 0.97 -0.18 1.05 -1.64 0.00 0.00 178.16 178.36 2kk0 h GLU 120 N 0.28 0.58 0.31 1.82 4.11 -1.30 -2.16 114.58 118.22 2kk0 h GLU 120 Ca 0.02 -0.20 -0.02 0.00 0.07 0.00 0.00 59.36 59.24 2kk0 h GLU 120 Cb 0.89 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2kk0 h GLU 120 CO 0.07 0.73 -0.15 0.00 0.07 0.00 0.00 179.01 179.73 2kk0 h GLU 122 N -0.99 0.45 0.15 0.00 4.81 -1.46 0.03 114.58 117.55 2kk0 h GLU 122 Ca -0.04 -0.32 -0.30 0.00 -0.13 0.00 0.00 59.36 58.56 2kk0 h GLU 122 Cb 0.48 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.92 2kk0 h GLU 122 CO 0.07 0.94 -1.45 0.87 -0.73 0.00 0.00 179.01 178.72 2kk0 h LYS 123 N 0.33 0.31 0.00 1.92 1.79 -1.54 -3.43 116.57 115.94 2kk0 h LYS 123 Ca -0.01 -0.53 0.00 0.00 -2.18 0.00 0.00 60.65 57.93 2kk0 h LYS 123 Cb 1.20 0.20 0.00 0.00 -1.58 0.00 0.00 32.23 32.04 2kk0 h LYS 123 CO 0.11 1.21 -0.67 -2.13 -1.08 0.00 0.00 179.45 176.89 2kk0 n ARG 124 N -3.52 0.67 -1.58 3.15 0.00 -0.94 -5.08 116.66 109.36 2kk0 n ARG 124 Ca -0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.70 2kk0 n ARG 124 Cb 1.05 -0.83 0.00 0.00 0.00 0.00 0.00 32.46 32.68 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 2.67 0.50 0.04 5.14 0.00 0.16 -4.98 105.19 108.72 2kk0 n GLY 125 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.03 0.00 -9.01 0.99 3.38 -1.79 -3.49 115.31 105.36 2kk0 h LEU 126 Ca -0.02 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.32 2kk0 h LEU 126 Cb 1.01 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.58 2kk0 h LEU 126 CO 0.02 0.47 -0.81 -0.94 0.09 0.00 0.00 178.44 177.26 2kk0 s SER 127 N -4.98 3.31 0.19 -0.43 1.04 -1.26 -4.95 113.70 106.62 2kk0 s SER 127 Ca -0.06 -0.87 -0.07 0.00 0.48 0.00 0.00 55.95 55.43 2kk0 s SER 127 Cb 0.01 -0.24 -0.06 0.00 0.10 0.00 0.00 66.02 65.83 2kk0 s SER 127 CO 0.10 0.09 0.46 0.20 0.98 0.00 0.00 173.24 175.07 2kk0 s ASN 128 N -2.69 6.55 0.45 7.02 0.01 -1.26 -4.77 114.94 120.24 2kk0 s ASN 128 Ca 0.20 0.74 0.19 0.00 -0.71 0.00 0.00 52.86 53.28 2kk0 s ASN 128 Cb -0.07 -2.15 1.07 0.00 0.41 0.00 0.00 41.25 40.50 2kk0 s ASN 128 CO 0.09 -0.02 1.96 1.55 -1.51 0.00 0.00 177.10 179.17 2kk0 h PRO 129 N 2.62 0.00 0.02 -0.60 0.13 -2.01 -1.78 132.00 130.39 2kk0 h PRO 129 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 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 0.71 0.22 -0.01 -0.91 -0.23 0.00 0.00 178.00 177.78 2kk0 h ASN 130 N 0.00 -0.03 -0.13 1.44 2.35 -2.01 -2.67 115.58 114.54 2kk0 h ASN 130 Ca -0.00 -0.49 -0.04 0.00 -0.55 0.00 0.00 56.30 55.22 2kk0 h ASN 130 Cb 0.46 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 2kk0 h ASN 130 CO 0.03 0.48 -0.03 1.05 -1.65 0.00 0.00 177.43 177.31 2kk0 h GLU 131 N -0.54 0.38 -0.41 0.81 4.11 -1.96 -2.69 114.58 114.28 2kk0 h GLU 131 Ca -0.00 -0.07 0.07 0.00 0.07 0.00 0.00 59.36 59.42 2kk0 h GLU 131 Cb 0.51 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.64 2kk0 h GLU 131 CO 0.01 0.43 0.05 1.25 0.07 0.00 0.00 179.01 180.82 2kk0 h LEU 132 N 0.37 -0.06 -1.00 3.06 5.85 -1.26 0.21 115.31 122.48 2kk0 h LEU 132 Ca 0.08 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.90 2kk0 h LEU 132 Cb 0.30 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 2kk0 h LEU 132 CO 0.01 0.01 0.66 -0.61 -0.34 0.00 0.00 178.44 178.17 2kk0 h GLN 133 N 0.17 1.28 -0.45 1.25 5.75 -1.13 -0.28 115.11 121.71 2kk0 h GLN 133 Ca 0.20 -0.08 -0.07 0.00 -0.15 0.00 0.00 58.65 58.56 2kk0 h GLN 133 Cb 0.26 -0.29 -0.02 0.00 1.07 0.00 0.00 27.48 28.51 2kk0 h GLN 133 CO -0.29 0.85 0.02 0.00 -2.65 0.00 0.00 178.83 176.76 2kk0 h ALA 134 N 1.39 0.60 0.22 3.38 0.00 -1.38 -1.94 119.26 121.53 2kk0 h ALA 134 Ca 0.38 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2kk0 h ALA 134 Cb -0.09 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2kk0 h ALA 134 CO -0.10 0.38 -0.27 0.00 0.00 0.00 0.00 179.25 179.25 2kk0 h ALA 135 N 0.92 -0.54 -0.17 0.00 0.00 -0.14 0.10 119.26 119.43 2kk0 h ALA 135 Ca 0.13 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2kk0 h ALA 135 Cb 0.47 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 2kk0 h ALA 135 CO 0.02 -0.84 -0.08 0.82 0.00 0.00 0.00 179.25 179.17 2kk0 h ILE 136 N -0.55 0.74 -0.47 0.00 2.04 -1.11 -1.78 117.51 116.38 2kk0 h ILE 136 Ca 0.00 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.95 2kk0 h ILE 136 Cb 0.53 0.74 -0.07 0.00 -0.74 0.00 0.00 36.82 37.28 2kk0 h ILE 136 CO -0.09 0.00 0.05 -0.78 0.00 0.00 0.00 178.15 177.33 2kk0 h ASP 137 N -0.06 -0.08 0.05 1.72 3.58 -1.17 -1.33 116.42 119.12 2kk0 h ASP 137 Ca 0.09 0.09 0.02 0.00 0.42 0.00 0.00 57.03 57.66 2kk0 h ASP 137 Cb 0.20 0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.36 2kk0 h ASP 137 CO -0.21 -0.01 -0.25 0.28 -2.88 0.00 0.00 179.24 176.17 2kk0 h SER 138 N 0.18 -0.73 -0.61 2.28 0.02 -0.57 0.52 113.55 114.64 2kk0 h SER 138 Ca 0.23 0.09 0.09 0.00 -0.84 0.00 0.00 61.79 61.36 2kk0 h SER 138 Cb 0.32 0.29 -0.07 0.00 0.14 0.00 0.00 62.40 63.09 2kk0 h SER 138 CO -0.34 -0.33 0.26 0.78 -1.14 0.00 0.00 176.83 176.06 2kk0 h ASN 139 N -0.42 0.29 1.54 3.07 -0.26 -0.88 -0.01 115.58 118.91 2kk0 h ASN 139 Ca 0.05 0.07 -0.06 0.00 -0.56 0.00 0.00 56.30 55.79 2kk0 h ASN 139 Cb 0.48 0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.76 2kk0 h ASN 139 CO -0.19 0.18 -0.30 0.08 -1.06 0.00 0.00 177.43 176.14 2kk0 h ARG 140 N 0.46 0.00 0.00 0.81 -0.00 -0.94 -3.18 114.38 111.53 2kk0 h ARG 140 Ca 0.30 0.00 -0.09 0.00 -0.00 0.00 0.00 59.98 60.20 2kk0 h ARG 140 Cb 0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.29 2kk0 h ARG 140 CO -0.28 0.30 -0.41 -0.09 -0.00 0.00 0.00 179.97 179.49 2kk0 h ARG 141 N 0.00 0.00 0.00 0.08 2.43 0.94 -3.10 114.38 114.73 2kk0 h ARG 141 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2kk0 h ARG 141 Cb 1.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 2kk0 h ARG 141 CO 0.04 0.41 0.00 0.39 -1.51 0.00 0.00 179.97 179.30 2kk0 n GLU 142 N -3.21 0.77 -1.16 0.20 1.02 -0.10 -4.43 120.64 113.73 2kk0 n GLU 142 Ca 0.02 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.82 2kk0 n GLU 142 Cb 0.69 -1.31 -0.03 0.00 -0.02 0.00 0.00 31.44 30.78 2kk0 n GLU 142 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kk0 n GLY 143 N 0.44 3.94 3.93 0.62 0.00 -1.17 -4.93 105.19 108.03 2kk0 n GLY 143 Ca 0.11 -1.33 -0.28 0.00 0.00 0.00 0.00 46.02 44.53 2kk0 n GLY 143 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kk0 s ARG 144 N 2.52 1.54 0.00 1.61 1.70 -1.26 -5.15 118.95 119.91 2kk0 s ARG 144 Ca 0.62 -0.31 0.31 0.00 -0.47 0.00 0.00 55.73 55.87 2kk0 s ARG 144 Cb 0.16 -2.02 1.62 0.00 -0.57 0.00 0.00 34.95 34.14 2kk0 s ARG 144 CO -0.05 -1.76 2.07 2.89 -1.08 0.00 0.00 175.30 177.36