#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 -1.64 3.83 3.17 0.00 -1.26 -5.01 105.19 104.28 2kk0 n GLY 2 Ca 0.00 -1.21 -0.33 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.35 3.38 -0.70 1.61 0.09 -1.26 -4.94 115.29 112.13 2kk0 s HIS 3 Ca 0.00 1.45 -0.26 0.00 -0.00 0.00 0.00 55.06 56.25 2kk0 s HIS 3 Cb 0.00 -2.71 -0.07 0.00 -0.00 0.00 0.00 32.58 29.80 2kk0 s HIS 3 CO 0.00 0.02 2.17 -3.38 -0.00 0.00 0.00 174.74 173.55 2kk0 s HIS 4 N -2.02 1.41 0.00 1.40 -0.00 -1.25 -4.83 115.29 110.00 2kk0 s HIS 4 Ca 0.57 1.27 0.00 0.00 -0.00 0.00 0.00 55.06 56.90 2kk0 s HIS 4 Cb -0.11 -3.77 0.00 0.00 -0.00 0.00 0.00 32.58 28.70 2kk0 s HIS 4 CO 0.16 -2.02 0.15 1.58 -0.00 0.00 0.00 174.74 174.61 2kk0 n HIS 5 N 15.47 0.00 -3.58 0.38 -0.00 -1.26 -4.93 115.22 121.31 2kk0 n HIS 5 Ca 0.37 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.43 2kk0 n HIS 5 Cb 0.49 -0.40 -0.11 0.00 -0.12 0.00 0.00 29.99 29.85 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 -1.10 -0.60 0.00 1.57 0.09 -1.26 -5.10 115.29 108.88 2kk0 s HIS 6 Ca 0.00 1.02 0.00 0.00 -0.00 0.00 0.00 55.06 56.08 2kk0 s HIS 6 Cb 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 32.58 32.62 2kk0 s HIS 6 CO 0.00 -0.50 0.24 1.58 -0.00 0.00 0.00 174.74 176.06 2kk0 n HIS 7 N 5.36 0.00 0.00 1.40 -0.00 -1.26 -4.78 115.22 115.94 2kk0 n HIS 7 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.66 2kk0 n HIS 7 Cb 0.50 -0.05 0.00 0.00 -0.00 0.00 0.00 29.99 30.44 2kk0 n HIS 7 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2kk0 n HIS 8 N -0.65 0.00 -3.53 1.57 1.44 -1.26 -4.61 115.22 108.18 2kk0 n HIS 8 Ca 0.00 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.61 2kk0 n HIS 8 Cb 0.00 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.09 2kk0 n HIS 8 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 2kk0 s SER 9 N -2.44 -0.47 0.00 4.39 0.01 -1.26 -5.18 113.70 108.74 2kk0 s SER 9 Ca 0.00 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.12 2kk0 s SER 9 Cb 0.00 0.60 0.00 0.00 0.21 0.00 0.00 66.02 66.83 2kk0 s SER 9 CO 0.00 -1.02 0.00 1.41 0.41 0.00 0.00 173.24 174.04 2kk0 n HIS 10 N -0.39 -0.06 -1.75 2.43 -0.00 -1.26 -5.14 115.22 109.06 2kk0 n HIS 10 Ca -0.13 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.18 2kk0 n HIS 10 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.62 2kk0 n HIS 10 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kk0 n MET 11 N 0.00 2.42 -1.41 -0.41 -0.00 -1.26 -4.79 117.12 111.67 2kk0 n MET 11 Ca 0.00 0.85 -0.57 0.00 -0.00 0.00 0.00 57.70 57.98 2kk0 n MET 11 Cb 0.00 -2.55 -0.10 0.00 -0.00 0.00 0.00 33.22 30.58 2kk0 n MET 11 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 2kk0 n PRO 12 N 0.38 0.49 -0.93 3.17 -0.02 -1.26 -4.95 135.00 131.89 2kk0 n PRO 12 Ca 0.03 0.15 -0.29 0.00 -2.02 0.00 0.00 63.50 61.36 2kk0 n PRO 12 Cb 0.38 -1.89 0.19 0.00 -0.02 0.00 0.00 33.50 32.16 2kk0 n PRO 12 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kk0 s ASP 13 N 5.89 2.38 0.00 2.55 1.01 -1.26 -4.89 116.67 122.35 2kk0 s ASP 13 Ca 1.13 1.50 0.00 0.00 0.71 0.00 0.00 52.55 55.89 2kk0 s ASP 13 Cb -1.24 -2.18 0.00 0.00 1.01 0.00 0.00 42.92 40.51 2kk0 s ASP 13 CO 0.62 -3.33 0.41 1.57 0.21 0.00 0.00 175.17 174.64 2kk0 n HIS 14 N -4.34 0.00 -0.14 4.23 -0.00 -1.26 -2.58 115.22 111.14 2kk0 n HIS 14 Ca 0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.24 2kk0 n HIS 14 Cb 0.55 -0.08 0.00 0.00 -0.12 0.00 0.00 29.99 30.34 2kk0 n HIS 14 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kk0 n GLY 15 N 0.11 0.69 0.99 1.57 0.00 -1.26 -4.63 105.19 102.66 2kk0 n GLY 15 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 2kk0 n GLY 15 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kk0 n ASP 16 N -0.24 3.86 -4.30 1.61 8.00 -1.06 -4.82 116.55 119.59 2kk0 n ASP 16 Ca 0.00 -3.09 -0.40 0.00 0.71 0.00 0.00 54.79 52.01 2kk0 n ASP 16 Cb 0.17 -0.57 -0.11 0.00 -0.02 0.00 0.00 41.12 40.60 2kk0 n ASP 16 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2kk0 s TRP 17 N -2.88 3.29 -0.89 1.24 0.52 -1.26 -5.04 118.94 113.92 2kk0 s TRP 17 Ca 0.43 -1.32 -0.25 0.00 0.02 0.00 0.00 56.10 54.99 2kk0 s TRP 17 Cb 0.35 -2.64 0.02 0.00 -1.15 0.00 0.00 33.47 30.05 2kk0 s TRP 17 CO 0.08 -0.76 1.56 0.95 0.02 0.00 0.00 176.95 178.80 2kk0 s THR 18 N 1.46 3.72 0.05 2.01 -4.23 -1.26 -4.95 115.64 112.44 2kk0 s THR 18 Ca 0.02 -0.33 0.03 0.00 -1.18 0.00 0.00 61.69 60.23 2kk0 s THR 18 Cb -0.21 -4.70 -0.02 0.00 1.34 0.00 0.00 72.50 68.91 2kk0 s THR 18 CO 0.04 -1.62 -0.10 -0.47 -0.54 0.00 0.00 174.62 171.93 2kk0 s TYR 19 N 6.61 0.90 -0.00 3.99 5.04 -1.26 -5.05 117.35 127.58 2kk0 s TYR 19 Ca 0.51 -0.43 0.00 0.00 -2.44 0.00 0.00 57.07 54.71 2kk0 s TYR 19 Cb -0.04 -0.53 0.00 0.00 0.35 0.00 0.00 41.96 41.74 2kk0 s TYR 19 CO 0.00 -0.02 0.90 -0.85 -1.34 0.00 0.00 175.55 174.24 2kk0 n GLU 20 N 1.61 0.90 -3.32 4.97 0.28 -1.26 -4.84 120.64 118.98 2kk0 n GLU 20 Ca -0.21 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.40 2kk0 n GLU 20 Cb 0.55 -1.05 -0.08 0.00 1.43 0.00 0.00 31.44 32.29 2kk0 n GLU 20 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2kk0 s GLU 21 N 0.10 4.09 0.02 3.44 2.12 -1.26 -5.04 118.70 122.18 2kk0 s GLU 21 Ca 0.00 0.22 -0.32 0.00 0.36 0.00 0.00 54.97 55.23 2kk0 s GLU 21 Cb 0.00 -3.61 -0.11 0.00 0.26 0.00 0.00 34.13 30.67 2kk0 s GLU 21 CO 0.00 -0.23 1.86 1.04 -0.54 0.00 0.00 175.26 177.39 2kk0 n GLN 22 N 5.13 2.49 -1.52 4.30 1.13 -1.26 -4.78 117.38 122.86 2kk0 n GLN 22 Ca -0.06 0.91 -0.13 0.00 -1.94 0.00 0.00 57.00 55.78 2kk0 n GLN 22 Cb 0.50 -2.79 -0.11 0.00 0.11 0.00 0.00 30.24 27.96 2kk0 n GLN 22 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2kk0 n PHE 23 N 6.26 0.81 0.24 1.08 -0.00 -1.26 -4.68 117.46 119.91 2kk0 n PHE 23 Ca 0.20 -0.14 0.13 0.00 -0.00 0.00 0.00 57.45 57.64 2kk0 n PHE 23 Cb 0.34 -2.40 0.51 0.00 -0.00 0.00 0.00 39.48 37.93 2kk0 n PHE 23 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 2kk0 h LYS 24 N 11.43 0.00 -1.00 -4.13 3.64 -2.02 -3.23 116.57 121.25 2kk0 h LYS 24 Ca 0.00 0.00 0.18 0.00 -1.27 0.00 0.00 60.65 59.56 2kk0 h LYS 24 Cb 1.00 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.72 2kk0 h LYS 24 CO 1.00 0.13 0.62 0.37 -2.27 0.00 0.00 179.45 179.30 2kk0 h GLN 25 N 0.00 0.78 -0.87 1.90 5.75 -1.96 0.18 115.11 120.88 2kk0 h GLN 25 Ca -0.00 -0.05 0.09 0.00 -0.15 0.00 0.00 58.65 58.54 2kk0 h GLN 25 Cb 0.69 -0.18 -0.07 0.00 1.07 0.00 0.00 27.48 29.00 2kk0 h GLN 25 CO 0.02 0.51 0.52 -0.07 -2.65 0.00 0.00 178.83 177.17 2kk0 h LEU 26 N 0.80 0.78 -0.37 -2.39 3.38 -1.96 -0.19 115.31 115.36 2kk0 h LEU 26 Ca 0.56 0.04 -0.19 0.00 0.09 0.00 0.00 57.88 58.38 2kk0 h LEU 26 Cb 0.83 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 2kk0 h LEU 26 CO -0.36 0.46 -0.73 1.88 0.09 0.00 0.00 178.44 179.79 2kk0 h TYR 27 N 0.90 0.63 0.00 1.13 0.05 -1.25 -3.12 116.97 115.32 2kk0 h TYR 27 Ca 0.41 -0.28 0.00 0.00 0.05 0.00 0.00 58.73 58.91 2kk0 h TYR 27 Cb 0.31 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 37.95 2kk0 h TYR 27 CO -0.04 1.04 0.00 0.39 -1.05 0.00 0.00 178.16 178.50 2kk0 n GLU 28 N -3.86 0.91 -0.05 4.88 1.02 -0.37 -2.83 120.64 120.34 2kk0 n GLU 28 Ca -0.05 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 56.98 2kk0 n GLU 28 Cb 0.71 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.57 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 0.25 0.00 -4.62 3.38 -1.00 -3.41 115.31 109.90 2kk0 h LEU 29 Ca 0.00 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 2kk0 h LEU 29 Cb 0.01 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2kk0 h LEU 29 CO 0.00 0.42 -1.13 -0.67 0.09 0.00 0.00 178.44 177.15 2kk0 n ASP 30 N -4.80 3.79 -0.10 -0.43 -0.08 -1.23 -5.02 116.55 108.67 2kk0 n ASP 30 Ca -0.05 -0.01 -0.01 0.00 -1.51 0.00 0.00 54.79 53.21 2kk0 n ASP 30 Cb 0.17 -0.04 -0.01 0.00 2.34 0.00 0.00 41.12 43.59 2kk0 n ASP 30 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kk0 n GLY 31 N 3.39 0.46 3.86 0.27 0.00 -1.13 -5.03 105.19 107.01 2kk0 n GLY 31 Ca -0.04 -0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.21 6.66 0.26 1.61 2.15 -1.26 -5.01 116.67 118.86 2kk0 s ASP 32 Ca 0.00 0.80 -0.07 0.00 0.43 0.00 0.00 52.55 53.71 2kk0 s ASP 32 Cb 0.00 -2.18 0.46 0.00 -0.30 0.00 0.00 42.92 40.90 2kk0 s ASP 32 CO 0.00 0.21 1.61 1.55 -0.17 0.00 0.00 175.17 178.38 2kk0 h PRO 33 N 3.95 0.06 -0.02 4.34 0.13 -2.00 -0.03 132.00 138.42 2kk0 h PRO 33 Ca -0.50 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 2kk0 h PRO 33 Cb 1.20 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kk0 h PRO 33 CO 0.65 0.04 -0.07 0.87 -0.23 0.00 0.00 178.00 179.26 2kk0 h LYS 34 N 0.06 0.03 0.62 0.86 1.57 -1.99 -2.53 116.57 115.18 2kk0 h LYS 34 Ca 0.44 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.18 2kk0 h LYS 34 Cb 0.77 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.08 2kk0 h LYS 34 CO -0.75 0.11 -0.30 -0.09 -0.57 0.00 0.00 179.45 177.85 2kk0 h ARG 35 N 0.03 -0.80 -0.33 3.15 9.65 -1.39 -2.42 114.38 122.27 2kk0 h ARG 35 Ca 0.01 0.05 -0.13 0.00 -1.10 0.00 0.00 59.98 58.82 2kk0 h ARG 35 Cb 0.14 0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.89 2kk0 h ARG 35 CO 0.01 -0.48 -0.31 1.57 2.80 0.00 0.00 179.97 183.56 2kk0 h LYS 36 N -1.06 0.70 0.69 0.20 -0.00 -1.49 -2.82 116.57 112.79 2kk0 h LYS 36 Ca -0.08 -0.32 -0.03 0.00 -0.00 0.00 0.00 60.65 60.22 2kk0 h LYS 36 Cb 0.68 -0.02 -0.00 0.00 -0.00 0.00 0.00 32.23 32.89 2kk0 h LYS 36 CO 0.14 0.92 -0.42 0.93 -0.00 0.00 0.00 179.45 181.02 2kk0 h GLU 37 N 0.60 -1.00 -0.15 0.07 5.08 -1.50 -1.44 114.58 116.23 2kk0 h GLU 37 Ca 0.07 0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.54 2kk0 h GLU 37 Cb 0.82 0.23 -0.04 0.00 0.50 0.00 0.00 28.75 30.25 2kk0 h GLU 37 CO 0.07 -0.67 -0.10 0.35 -1.00 0.00 0.00 179.01 177.66 2kk0 h PHE 38 N -1.04 -0.23 0.08 4.33 3.57 -1.48 -0.37 116.94 121.79 2kk0 h PHE 38 Ca -0.09 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.44 2kk0 h PHE 38 Cb 0.84 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 2kk0 h PHE 38 CO -0.10 -0.15 -0.14 -0.07 -2.23 0.00 0.00 178.31 175.62 2kk0 h LEU 39 N -0.09 -0.40 -0.28 0.59 3.38 -1.47 0.15 115.31 117.18 2kk0 h LEU 39 Ca 0.09 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2kk0 h LEU 39 Cb 0.23 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2kk0 h LEU 39 CO -0.21 -0.21 0.04 -0.78 0.09 0.00 0.00 178.44 177.37 2kk0 h ASP 40 N -0.28 0.45 -0.76 -0.43 3.58 -1.17 -0.89 116.42 116.92 2kk0 h ASP 40 Ca 0.03 -0.26 -0.00 0.00 0.42 0.00 0.00 57.03 57.21 2kk0 h ASP 40 Cb 0.30 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.20 2kk0 h ASP 40 CO -0.09 0.60 0.47 -0.78 -2.88 0.00 0.00 179.24 176.56 2kk0 h ASP 41 N 0.28 0.90 0.43 2.28 3.58 -0.95 -2.02 116.42 120.92 2kk0 h ASP 41 Ca 0.08 -0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.47 2kk0 h ASP 41 Cb 0.34 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.17 2kk0 h ASP 41 CO 0.01 0.69 -0.21 0.25 -2.88 0.00 0.00 179.24 177.10 2kk0 h LEU 42 N 1.05 -0.49 -0.63 2.28 5.85 -0.47 -1.66 115.31 121.23 2kk0 h LEU 42 Ca 0.28 -0.06 0.08 0.00 0.84 0.00 0.00 57.88 59.02 2kk0 h LEU 42 Cb -0.06 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.03 2kk0 h LEU 42 CO -0.05 -0.24 0.29 -0.26 -0.34 0.00 0.00 178.44 177.84 2kk0 h PHE 43 N -0.72 0.52 -0.26 1.25 0.04 -0.92 0.70 116.94 117.55 2kk0 h PHE 43 Ca -0.06 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 2kk0 h PHE 43 Cb 0.52 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 2kk0 h PHE 43 CO -0.01 0.19 0.14 0.77 -0.60 0.00 0.00 178.31 178.80 2kk0 h SER 44 N 0.52 0.33 0.21 2.17 0.02 -1.41 -2.13 113.55 113.25 2kk0 h SER 44 Ca 0.31 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2kk0 h SER 44 Cb 0.32 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 2kk0 h SER 44 CO -0.26 0.33 -0.14 0.15 -1.14 0.00 0.00 176.83 175.77 2kk0 h PHE 45 N 0.31 -0.37 -0.07 3.45 3.57 -0.25 -1.70 116.94 121.87 2kk0 h PHE 45 Ca 0.09 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 2kk0 h PHE 45 Cb 0.08 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 2kk0 h PHE 45 CO -0.03 -0.22 -0.23 0.00 -2.23 0.00 0.00 178.31 175.60 2kk0 h MET 46 N -0.35 0.12 -0.49 1.11 -0.00 -0.95 -2.66 114.93 111.72 2kk0 h MET 46 Ca -0.01 -0.03 -0.13 0.00 -0.00 0.00 0.00 59.70 59.52 2kk0 h MET 46 Cb 0.30 -0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 31.88 2kk0 h MET 46 CO 0.00 0.35 -0.20 0.37 -0.00 0.00 0.00 176.91 177.44 2kk0 h GLN 47 N 0.11 1.00 -0.98 -0.10 4.15 -1.09 -0.21 115.11 117.98 2kk0 h GLN 47 Ca 0.02 -0.42 0.08 0.00 0.77 0.00 0.00 58.65 59.10 2kk0 h GLN 47 Cb 0.47 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 28.06 2kk0 h GLN 47 CO 0.03 1.10 0.63 0.87 -1.93 0.00 0.00 178.83 179.53 2kk0 h LYS 48 N 0.85 1.06 -0.57 1.69 1.57 -0.95 -1.11 116.57 119.12 2kk0 h LYS 48 Ca 0.11 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2kk0 h LYS 48 Cb 0.78 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2kk0 h LYS 48 CO 0.06 0.70 0.00 2.89 -0.57 0.00 0.00 179.45 182.54 2kk0 n ARG 49 N -4.52 2.49 -2.56 3.15 1.85 -1.19 -4.93 116.66 110.95 2kk0 n ARG 49 Ca 0.16 -1.59 -0.06 0.00 -1.00 0.00 0.00 57.85 55.35 2kk0 n ARG 49 Cb 0.23 -1.59 0.03 0.00 -1.05 0.00 0.00 32.46 30.08 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 0.79 0.21 2.74 2.89 0.00 -0.42 -5.02 105.19 106.38 2kk0 n GLY 50 Ca 0.14 -0.29 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 2kk0 n GLY 50 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2kk0 n THR 51 N -2.31 0.00 -1.63 2.61 5.66 -0.10 -5.02 114.28 113.50 2kk0 n THR 51 Ca -0.08 -1.22 0.00 0.00 -3.05 0.00 0.00 64.05 59.69 2kk0 n THR 51 Cb 0.55 1.27 0.00 0.00 -1.55 0.00 0.00 70.33 70.61 2kk0 n THR 51 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2kk0 n PRO 52 N 2.07 0.51 -3.48 1.09 -0.04 -1.25 -4.18 135.00 129.72 2kk0 n PRO 52 Ca 0.11 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.15 2kk0 n PRO 52 Cb 0.62 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.97 2kk0 n PRO 52 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2kk0 s VAL 53 N -0.16 5.27 -0.11 0.52 1.01 -1.26 -4.96 120.40 120.69 2kk0 s VAL 53 Ca 0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.46 2kk0 s VAL 53 Cb 0.00 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 2kk0 s VAL 53 CO 0.00 -0.20 -0.07 -0.55 0.00 0.00 0.00 175.10 174.28 2kk0 h ASN 54 N 8.58 0.00 -4.32 3.32 7.08 -2.04 -3.49 115.58 124.71 2kk0 h ASN 54 Ca -0.29 0.00 -0.13 0.00 -3.08 0.00 0.00 56.30 52.80 2kk0 h ASN 54 Cb 1.13 0.00 -0.23 0.00 -2.08 0.00 0.00 38.32 37.15 2kk0 h ASN 54 CO 0.70 0.59 -0.32 0.00 -2.08 0.00 0.00 177.43 176.32 2kk0 s ARG 55 N -1.82 0.49 -0.05 4.14 3.03 -1.26 -5.11 118.95 118.37 2kk0 s ARG 55 Ca -0.06 0.18 -0.23 0.00 2.03 0.00 0.00 55.73 57.65 2kk0 s ARG 55 Cb 0.01 0.23 -0.04 0.00 -1.03 0.00 0.00 34.95 34.12 2kk0 s ARG 55 CO 0.09 -0.10 0.67 0.42 -1.13 0.00 0.00 175.30 175.25 2kk0 s ILE 56 N -0.45 5.02 0.48 4.99 1.01 -1.26 -5.04 121.20 125.94 2kk0 s ILE 56 Ca -0.06 1.38 -0.24 0.00 0.00 0.00 0.00 60.65 61.73 2kk0 s ILE 56 Cb -0.04 -4.01 -0.07 0.00 0.01 0.00 0.00 42.46 38.36 2kk0 s ILE 56 CO 0.02 0.29 1.37 -2.16 0.00 0.00 0.00 174.94 174.46 2kk0 s PRO 57 N 0.57 3.53 -0.01 2.79 0.04 -1.26 -4.70 135.00 135.96 2kk0 s PRO 57 Ca 0.35 2.28 0.02 0.00 0.04 0.00 0.00 61.00 63.70 2kk0 s PRO 57 Cb -0.18 -2.51 -0.03 0.00 0.04 0.00 0.00 34.50 31.81 2kk0 s PRO 57 CO 0.17 -0.89 -0.04 0.42 0.04 0.00 0.00 177.00 176.70 2kk0 s ILE 58 N -1.27 3.85 -0.06 0.56 -1.09 -1.26 -2.03 121.20 119.91 2kk0 s ILE 58 Ca 0.64 -0.66 -0.00 0.00 -2.23 0.00 0.00 60.65 58.40 2kk0 s ILE 58 Cb -0.41 -2.68 0.03 0.00 -1.58 0.00 0.00 42.46 37.82 2kk0 s ILE 58 CO 0.51 0.42 -0.02 -0.32 -1.23 0.00 0.00 174.94 174.30 2kk0 s MET 59 N -1.37 0.71 -1.46 2.79 1.75 -0.15 -4.83 119.30 116.73 2kk0 s MET 59 Ca 0.17 0.00 -0.08 0.00 -1.25 0.00 0.00 55.69 54.53 2kk0 s MET 59 Cb -0.11 -0.90 0.03 0.00 2.84 0.00 0.00 34.83 36.69 2kk0 s MET 59 CO 0.07 -0.20 0.84 0.00 -0.65 0.00 0.00 175.02 175.09 2kk0 n ALA 60 N 4.60 -1.14 -0.82 4.11 0.00 -1.26 -1.84 120.51 124.16 2kk0 n ALA 60 Ca -0.16 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2kk0 n ALA 60 Cb 0.50 -4.41 0.00 0.00 0.00 0.00 0.00 19.45 15.54 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 -4.43 -0.35 -4.21 0.00 4.76 -1.26 -4.99 118.16 107.67 2kk0 n LYS 61 Ca -0.04 0.09 -0.25 0.00 -2.87 0.00 0.00 58.31 55.24 2kk0 n LYS 61 Cb 0.58 -3.74 -0.07 0.00 -1.84 0.00 0.00 35.03 29.95 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 -0.72 2.47 0.40 1.97 -2.07 -0.77 -4.64 119.66 116.31 2kk0 s GLN 62 Ca 0.00 -1.19 -0.26 0.00 -1.82 0.00 0.00 55.36 52.10 2kk0 s GLN 62 Cb 0.00 -2.34 -0.09 0.00 -1.09 0.00 0.00 33.01 29.50 2kk0 s GLN 62 CO 0.00 0.42 1.22 0.54 -1.32 0.00 0.00 175.29 176.15 2kk0 s VAL 63 N -1.97 2.95 -0.75 3.63 0.11 -1.26 -0.97 120.40 122.12 2kk0 s VAL 63 Ca 0.30 0.83 -0.26 0.00 -2.93 0.00 0.00 61.98 59.92 2kk0 s VAL 63 Cb -0.08 -3.48 -0.03 0.00 -1.53 0.00 0.00 36.38 31.26 2kk0 s VAL 63 CO 0.20 0.10 1.87 -0.22 -3.33 0.00 0.00 175.10 173.72 2kk0 s LEU 64 N -2.41 3.24 -0.81 2.54 2.96 -0.86 -4.78 118.68 118.55 2kk0 s LEU 64 Ca 0.56 -0.18 -0.23 0.00 -0.22 0.00 0.00 54.13 54.06 2kk0 s LEU 64 Cb -0.34 -2.54 -0.17 0.00 0.50 0.00 0.00 46.19 43.63 2kk0 s LEU 64 CO 0.43 -2.49 2.38 0.47 -1.32 0.00 0.00 176.35 175.81 2kk0 n ASP 65 N 13.05 1.23 -0.18 3.68 8.00 -1.26 -4.79 116.55 136.28 2kk0 n ASP 65 Ca 0.29 -1.24 -0.01 0.00 0.71 0.00 0.00 54.79 54.54 2kk0 n ASP 65 Cb 0.50 -1.45 0.09 0.00 -0.02 0.00 0.00 41.12 40.24 2kk0 n ASP 65 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2kk0 h LEU 66 N 20.21 -0.10 -0.11 0.64 3.38 -1.98 0.15 115.31 137.50 2kk0 h LEU 66 Ca -0.01 0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.10 2kk0 h LEU 66 Cb 1.05 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 2kk0 h LEU 66 CO 1.13 -0.03 -0.03 0.15 0.09 0.00 0.00 178.44 179.75 2kk0 h PHE 67 N 0.19 -0.08 -0.41 1.13 3.04 -1.95 -1.66 116.94 117.20 2kk0 h PHE 67 Ca 0.29 0.01 -0.06 0.00 3.98 0.00 0.00 57.97 62.18 2kk0 h PHE 67 Cb 0.43 0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.97 2kk0 h PHE 67 CO -0.28 -0.06 0.02 0.52 -2.02 0.00 0.00 178.31 176.49 2kk0 h MET 68 N -0.01 0.71 -0.20 1.11 0.00 -1.75 -2.18 114.93 112.62 2kk0 h MET 68 Ca 0.06 -0.22 0.05 0.00 0.00 0.00 0.00 59.70 59.58 2kk0 h MET 68 Cb 0.10 -0.07 -0.05 0.00 0.00 0.00 0.00 31.60 31.58 2kk0 h MET 68 CO -0.12 0.79 -0.11 1.25 0.00 0.00 0.00 176.91 178.72 2kk0 h LEU 69 N 0.55 -0.37 -0.70 1.22 5.85 -0.59 -1.46 115.31 119.81 2kk0 h LEU 69 Ca 0.12 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.96 2kk0 h LEU 69 Cb 0.46 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 2kk0 h LEU 69 CO 0.02 -0.15 0.43 0.22 -0.34 0.00 0.00 178.44 178.62 2kk0 h TYR 70 N -0.10 0.80 0.14 1.25 3.20 -1.20 -1.69 116.97 119.37 2kk0 h TYR 70 Ca 0.11 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.02 2kk0 h TYR 70 Cb 0.26 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 2kk0 h TYR 70 CO -0.27 0.44 -0.19 0.28 -1.64 0.00 0.00 178.16 176.78 2kk0 h VAL 71 N 0.82 0.58 -0.67 1.81 2.07 -0.81 -1.07 116.25 118.98 2kk0 h VAL 71 Ca 0.29 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.73 2kk0 h VAL 71 Cb 0.06 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 2kk0 h VAL 71 CO -0.13 0.00 0.13 -0.07 0.02 0.00 0.00 177.57 177.52 2kk0 h LEU 72 N -0.38 1.05 -0.15 2.57 -0.00 -1.10 -2.33 115.31 114.97 2kk0 h LEU 72 Ca 0.02 -0.24 -0.07 0.00 -0.00 0.00 0.00 57.88 57.59 2kk0 h LEU 72 Cb 0.38 -0.28 -0.00 0.00 -0.00 0.00 0.00 40.66 40.76 2kk0 h LEU 72 CO -0.08 1.02 -0.16 0.58 -0.00 0.00 0.00 178.44 179.80 2kk0 h VAL 73 N 1.03 1.35 -0.57 1.22 2.07 -1.24 -3.11 116.25 117.00 2kk0 h VAL 73 Ca 0.21 -1.34 -0.09 0.00 0.82 0.00 0.00 66.70 66.30 2kk0 h VAL 73 Cb 0.41 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 2kk0 h VAL 73 CO 0.01 0.40 0.02 0.71 0.02 0.00 0.00 177.57 178.72 2kk0 h THR 74 N -0.01 1.26 0.00 2.57 1.35 -1.17 -0.91 112.91 116.00 2kk0 h THR 74 Ca 0.02 -1.08 -0.01 0.00 -0.55 0.00 0.00 66.41 64.79 2kk0 h THR 74 Cb 0.71 0.79 -0.00 0.00 -1.73 0.00 0.00 68.15 67.92 2kk0 h THR 74 CO 0.04 0.39 -0.06 1.05 -0.25 0.00 0.00 175.52 176.70 2kk0 h GLU 75 N 0.90 0.00 0.00 4.72 4.11 -1.49 -1.20 114.58 121.63 2kk0 h GLU 75 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.60 2kk0 h GLU 75 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2kk0 h GLU 75 CO 0.02 0.06 -0.41 1.63 0.07 0.00 0.00 179.01 180.38 2kk0 n LYS 76 N -3.27 0.13 0.00 1.06 4.76 -0.87 -4.94 118.16 115.02 2kk0 n LYS 76 Ca -0.01 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 2kk0 n LYS 76 Cb 0.24 -1.59 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 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 1.42 0.90 0.00 0.72 0.00 -0.45 -4.72 105.19 103.06 2kk0 n GLY 77 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 2.13 0.44 -0.02 0.00 -0.40 -4.62 105.19 102.72 2kk0 n GLY 78 Ca 0.00 -2.10 -0.15 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.54 -0.82 0.99 5.85 -1.94 -1.08 115.31 116.76 2kk0 h LEU 79 Ca 0.00 0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.92 2kk0 h LEU 79 Cb 0.00 0.58 -0.05 0.00 0.37 0.00 0.00 40.66 41.57 2kk0 h LEU 79 CO 0.00 -0.48 0.53 0.58 -0.34 0.00 0.00 178.44 178.73 2kk0 h VAL 80 N -0.62 1.15 -0.08 1.05 2.07 -1.95 -0.62 116.25 117.25 2kk0 h VAL 80 Ca 0.01 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.21 2kk0 h VAL 80 Cb 0.66 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 2kk0 h VAL 80 CO -0.34 0.19 -0.12 -0.08 0.02 0.00 0.00 177.57 177.24 2kk0 h GLU 81 N 1.04 -0.16 -1.01 1.57 4.57 -1.74 0.14 114.58 119.00 2kk0 h GLU 81 Ca 0.32 0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.58 2kk0 h GLU 81 Cb -0.02 0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 28.54 2kk0 h GLU 81 CO -0.10 -0.11 0.65 0.28 -1.18 0.00 0.00 179.01 178.55 2kk0 h VAL 82 N -0.17 1.09 -0.64 0.32 2.07 -0.52 0.11 116.25 118.51 2kk0 h VAL 82 Ca 0.07 -0.40 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 2kk0 h VAL 82 Cb 0.27 -0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 29.82 2kk0 h VAL 82 CO -0.18 0.22 0.19 0.40 0.02 0.00 0.00 177.57 178.22 2kk0 h ILE 83 N 1.18 1.25 0.00 4.57 2.04 -0.63 -0.20 117.51 125.72 2kk0 h ILE 83 Ca 0.43 -0.87 -0.06 0.00 1.00 0.00 0.00 64.86 65.37 2kk0 h ILE 83 Cb 0.17 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2kk0 h ILE 83 CO -0.17 0.33 -0.26 0.78 0.00 0.00 0.00 178.15 178.83 2kk0 h ASN 84 N 0.93 0.00 0.94 1.72 2.35 0.46 -2.58 115.58 119.41 2kk0 h ASN 84 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 2kk0 h ASN 84 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 2kk0 h ASN 84 CO -0.00 0.26 -0.77 0.11 -1.65 0.00 0.00 177.43 175.38 2kk0 h LYS 85 N 0.00 0.00 -0.51 0.81 1.79 -0.59 -3.48 116.57 114.59 2kk0 h LYS 85 Ca -0.00 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.28 2kk0 h LYS 85 Cb 0.74 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.31 2kk0 h LYS 85 CO 0.03 0.00 -0.17 1.63 -1.08 0.00 0.00 179.45 179.86 2kk0 n LYS 86 N -2.37 -1.73 -0.36 3.15 4.76 -0.11 -4.83 118.16 116.67 2kk0 n LYS 86 Ca 0.02 0.80 -0.03 0.00 -2.87 0.00 0.00 58.31 56.23 2kk0 n LYS 86 Cb 0.49 -5.16 0.10 0.00 -1.84 0.00 0.00 35.03 28.62 2kk0 n LYS 86 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 2kk0 n LEU 87 N -1.10 3.44 0.29 -0.35 -0.00 -1.19 -4.41 117.00 113.68 2kk0 n LEU 87 Ca -0.09 -1.76 0.16 0.00 -0.00 0.00 0.00 56.01 54.31 2kk0 n LEU 87 Cb 0.55 -0.59 0.82 0.00 -0.00 0.00 0.00 43.42 44.20 2kk0 n LEU 87 CO 0.14 0.53 1.14 -0.50 -0.00 0.00 0.00 177.39 178.70 2kk0 h TRP 88 N 0.85 0.00 -0.86 1.47 4.06 -1.88 0.73 115.95 120.31 2kk0 h TRP 88 Ca 0.11 0.00 0.17 0.00 2.06 0.00 0.00 58.89 61.23 2kk0 h TRP 88 Cb 1.32 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.41 2kk0 h TRP 88 CO 0.46 0.00 0.57 0.07 -3.56 0.00 0.00 178.44 175.97 2kk0 h ARG 89 N 0.00 0.47 -0.18 0.49 0.11 -1.99 -0.34 114.38 112.94 2kk0 h ARG 89 Ca 0.03 -0.03 -0.18 0.00 0.10 0.00 0.00 59.98 59.90 2kk0 h ARG 89 Cb 0.71 -0.11 -0.00 0.00 1.11 0.00 0.00 29.97 31.69 2kk0 h ARG 89 CO -0.00 0.31 -0.63 0.93 0.10 0.00 0.00 179.97 180.68 2kk0 h GLU 90 N 0.48 0.65 -0.13 0.08 4.39 -1.23 -2.76 114.58 116.07 2kk0 h GLU 90 Ca 0.44 -0.46 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 2kk0 h GLU 90 Cb 0.97 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.69 2kk0 h GLU 90 CO -0.17 1.08 0.00 0.82 -1.16 0.00 0.00 179.01 179.58 2kk0 h ILE 91 N 0.48 1.25 0.21 3.13 1.08 -1.22 -0.31 117.51 122.12 2kk0 h ILE 91 Ca -0.01 -0.80 0.00 0.00 -0.39 0.00 0.00 64.86 63.66 2kk0 h ILE 91 Cb 1.22 1.51 -0.01 0.00 -3.07 0.00 0.00 36.82 36.47 2kk0 h ILE 91 CO 0.12 0.23 -0.18 0.71 -0.69 0.00 0.00 178.15 178.34 2kk0 h THR 92 N -0.02 0.60 -0.61 -0.27 1.35 -1.27 -2.79 112.91 109.89 2kk0 h THR 92 Ca 0.04 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.92 2kk0 h THR 92 Cb 0.35 0.60 -0.03 0.00 -1.73 0.00 0.00 68.15 67.34 2kk0 h THR 92 CO 0.01 0.00 0.41 0.50 -0.25 0.00 0.00 175.52 176.18 2kk0 h LYS 93 N -0.42 0.74 0.00 4.72 1.63 -1.46 0.13 116.57 121.91 2kk0 h LYS 93 Ca -0.01 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 2kk0 h LYS 93 Cb 0.38 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 31.84 2kk0 h LYS 93 CO -0.03 0.49 -0.05 0.78 -3.45 0.00 0.00 179.45 177.19 2kk0 h GLY 94 N 0.76 0.00 -2.93 5.01 0.00 -0.79 -0.61 103.07 104.52 2kk0 h GLY 94 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 2kk0 h GLY 94 CO -0.06 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.52 2kk0 n LEU 95 N -3.62 4.52 -1.30 3.11 4.77 -0.20 -4.92 117.00 119.36 2kk0 n LEU 95 Ca -0.02 -2.32 -0.16 0.00 -0.03 0.00 0.00 56.01 53.48 2kk0 n LEU 95 Cb 0.15 -0.55 -0.06 0.00 -2.33 0.00 0.00 43.42 40.63 2kk0 n LEU 95 CO 0.27 0.86 -0.16 -3.20 -1.33 0.00 0.00 177.39 173.84 2kk0 n ASN 96 N 1.25 -4.88 -4.81 -1.43 2.85 -0.23 -5.00 115.26 103.01 2kk0 n ASN 96 Ca 0.25 0.33 -0.37 0.00 -0.11 0.00 0.00 54.58 54.68 2kk0 n ASN 96 Cb 0.81 -3.81 -0.06 0.00 1.24 0.00 0.00 39.78 37.96 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 -3.75 4.41 -0.23 1.20 1.43 0.28 -4.96 118.68 117.06 2kk0 s LEU 97 Ca 0.00 1.37 -0.29 0.00 -1.03 0.00 0.00 54.13 54.18 2kk0 s LEU 97 Cb 0.00 -3.37 -0.00 0.00 0.03 0.00 0.00 46.19 42.85 2kk0 s LEU 97 CO 0.00 0.11 1.23 -2.16 0.23 0.00 0.00 176.35 175.76 2kk0 s PRO 98 N -1.69 4.12 0.00 1.29 0.04 -1.26 -3.61 135.00 133.89 2kk0 s PRO 98 Ca 0.38 1.44 0.08 0.00 0.04 0.00 0.00 61.00 62.95 2kk0 s PRO 98 Cb -0.18 -3.78 0.42 0.00 0.04 0.00 0.00 34.50 31.00 2kk0 s PRO 98 CO 0.21 -0.84 1.14 -2.37 0.04 0.00 0.00 177.00 175.18 2kk0 n THR 99 N 5.67 0.87 0.26 1.26 5.66 -1.26 -2.16 114.28 124.57 2kk0 n THR 99 Ca 0.14 0.22 0.14 0.00 -3.05 0.00 0.00 64.05 61.49 2kk0 n THR 99 Cb 0.46 -1.08 0.64 0.00 -1.55 0.00 0.00 70.33 68.79 2kk0 n THR 99 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 2kk0 h SER 100 N 0.00 0.00 -2.56 1.09 0.87 -1.92 -3.45 113.55 107.58 2kk0 h SER 100 Ca 0.00 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 59.98 2kk0 h SER 100 Cb 0.08 0.00 0.07 0.00 -0.44 0.00 0.00 62.40 62.11 2kk0 h SER 100 CO 0.00 0.12 0.73 -0.38 -0.53 0.00 0.00 176.83 176.77 2kk0 n ILE 101 N -3.34 0.53 0.00 2.23 5.41 -0.92 -3.88 119.36 119.39 2kk0 n ILE 101 Ca -0.00 -0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.61 2kk0 n ILE 101 Cb 0.33 -1.56 0.00 0.00 -0.71 0.00 0.00 39.64 37.70 2kk0 n ILE 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 2kk0 n THR 102 N 2.62 0.00 -1.25 1.39 -1.04 -1.26 -3.39 114.28 111.35 2kk0 n THR 102 Ca 0.14 1.36 -0.19 0.00 -2.04 0.00 0.00 64.05 63.31 2kk0 n THR 102 Cb 0.31 -2.12 0.19 0.00 -1.82 0.00 0.00 70.33 66.89 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 -1.97 3.63 -0.04 8.00 3.41 -1.26 -4.69 113.62 120.70 2kk0 n SER 103 Ca 0.00 -3.60 -0.09 0.00 -0.26 0.00 0.00 58.87 54.91 2kk0 n SER 103 Cb 0.00 -0.80 -0.03 0.00 -0.26 0.00 0.00 64.21 63.12 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 1.15 -0.26 -0.86 7.33 0.00 -1.94 0.23 119.26 124.91 2kk0 h ALA 104 Ca 0.54 0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.62 2kk0 h ALA 104 Cb 2.63 0.59 -0.08 0.00 0.00 0.00 0.00 17.79 20.93 2kk0 h ALA 104 CO 0.96 -0.74 0.49 0.00 0.00 0.00 0.00 179.25 179.95 2kk0 h ALA 105 N 0.61 1.27 -0.02 0.00 0.00 -1.86 -0.51 119.26 118.75 2kk0 h ALA 105 Ca 0.12 0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.83 2kk0 h ALA 105 Cb 0.52 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.21 2kk0 h ALA 105 CO -0.40 0.06 -0.98 0.35 0.00 0.00 0.00 179.25 178.28 2kk0 h PHE 106 N 0.77 0.89 -0.13 0.00 3.57 -1.71 -2.15 116.94 118.18 2kk0 h PHE 106 Ca 0.44 -0.47 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 2kk0 h PHE 106 Cb 0.48 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 2kk0 h PHE 106 CO -0.06 1.30 0.02 1.15 -2.23 0.00 0.00 178.31 178.49 2kk0 h THR 107 N 0.35 1.22 -0.53 4.41 2.02 -0.11 -0.77 112.91 119.51 2kk0 h THR 107 Ca -0.10 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.37 2kk0 h THR 107 Cb 1.62 1.45 -0.03 0.00 -1.74 0.00 0.00 68.15 69.45 2kk0 h THR 107 CO 0.18 0.21 0.34 -0.07 0.37 0.00 0.00 175.52 176.55 2kk0 h LEU 108 N -0.02 0.61 -1.32 2.58 3.38 -1.20 -0.65 115.31 118.70 2kk0 h LEU 108 Ca 0.04 -0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.08 2kk0 h LEU 108 Cb 0.30 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 2kk0 h LEU 108 CO 0.00 0.46 0.53 -0.09 0.09 0.00 0.00 178.44 179.43 2kk0 h ARG 109 N 0.71 0.73 0.19 1.13 2.43 -1.21 0.82 114.38 119.19 2kk0 h ARG 109 Ca 0.19 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 2kk0 h ARG 109 Cb -0.06 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.32 2kk0 h ARG 109 CO -0.04 0.49 -0.09 1.15 -1.51 0.00 0.00 179.97 179.97 2kk0 h THR 110 N 0.76 0.67 -0.51 0.20 2.02 -0.65 -2.97 112.91 112.43 2kk0 h THR 110 Ca 0.37 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 2kk0 h THR 110 Cb 0.44 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 2kk0 h THR 110 CO -0.15 0.18 0.27 1.56 0.37 0.00 0.00 175.52 177.75 2kk0 h GLN 111 N -0.93 0.72 0.08 6.66 1.08 -0.93 -1.89 115.11 119.89 2kk0 h GLN 111 Ca -0.03 -0.09 0.02 0.00 -1.45 0.00 0.00 58.65 57.10 2kk0 h GLN 111 Cb 0.49 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.75 2kk0 h GLN 111 CO 0.04 0.57 -0.22 -0.92 -0.95 0.00 0.00 178.83 177.35 2kk0 h TYR 112 N 0.68 -0.59 -0.98 2.96 3.20 -0.99 -1.30 116.97 119.94 2kk0 h TYR 112 Ca 0.18 0.01 0.18 0.00 3.14 0.00 0.00 58.73 62.24 2kk0 h TYR 112 Cb 0.07 0.25 -0.10 0.00 1.54 0.00 0.00 36.73 38.49 2kk0 h TYR 112 CO -0.01 -0.32 0.61 1.98 -1.64 0.00 0.00 178.16 178.78 2kk0 h MET 113 N -0.40 0.71 0.04 1.82 4.05 -1.31 0.78 114.93 120.62 2kk0 h MET 113 Ca 0.04 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 2kk0 h MET 113 Cb 0.43 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.07 2kk0 h MET 113 CO -0.15 0.47 -0.02 0.87 0.23 0.00 0.00 176.91 178.32 2kk0 h LYS 114 N 0.73 -0.05 0.00 0.39 1.57 -0.87 -3.41 116.57 114.93 2kk0 h LYS 114 Ca 0.54 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.97 2kk0 h LYS 114 Cb 0.89 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.15 2kk0 h LYS 114 CO -0.32 0.51 -2.03 0.66 -0.57 0.00 0.00 179.45 177.70 2kk0 n TYR 115 N -4.84 0.32 -3.42 -1.35 4.02 -0.53 -4.81 117.16 106.55 2kk0 n TYR 115 Ca -0.09 0.14 -0.44 0.00 -0.01 0.00 0.00 57.90 57.50 2kk0 n TYR 115 Cb 0.29 -0.99 -0.04 0.00 -0.02 0.00 0.00 39.34 38.58 2kk0 n TYR 115 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2kk0 s LEU 116 N -7.66 6.38 0.36 7.72 1.43 0.27 -4.68 118.68 122.50 2kk0 s LEU 116 Ca -0.35 -2.83 0.00 0.00 -1.03 0.00 0.00 54.13 49.93 2kk0 s LEU 116 Cb 0.11 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 44.21 2kk0 s LEU 116 CO 0.51 -0.50 0.00 0.00 0.23 0.00 0.00 176.35 176.59 2kk0 n TYR 117 N 3.72 -4.06 0.17 0.29 9.36 -1.24 -4.13 117.16 121.27 2kk0 n TYR 117 Ca 0.14 1.20 0.18 0.00 3.32 0.00 0.00 57.90 62.74 2kk0 n TYR 117 Cb 0.44 3.04 0.74 0.00 -0.63 0.00 0.00 39.34 42.93 2kk0 n TYR 117 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 2kk0 h PRO 118 N 0.00 0.00 -0.08 2.98 0.13 -1.87 -0.99 132.00 132.17 2kk0 h PRO 118 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 2kk0 h PRO 118 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 2kk0 h PRO 118 CO 0.00 0.00 -0.40 -0.92 -0.23 0.00 0.00 178.00 176.45 2kk0 h TYR 119 N 0.00 0.55 -0.28 1.56 3.20 -1.91 -1.30 116.97 118.78 2kk0 h TYR 119 Ca 0.14 -0.25 -0.10 0.00 3.14 0.00 0.00 58.73 61.66 2kk0 h TYR 119 Cb 1.04 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 2kk0 h TYR 119 CO 0.00 1.00 -0.26 1.05 -1.64 0.00 0.00 178.16 178.32 2kk0 h GLU 120 N -0.06 0.56 0.02 1.82 4.11 -1.55 -0.27 114.58 119.20 2kk0 h GLU 120 Ca -0.03 -0.22 -0.22 0.00 0.07 0.00 0.00 59.36 58.96 2kk0 h GLU 120 Cb 1.06 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 2kk0 h GLU 120 CO 0.08 0.76 -0.95 0.00 0.07 0.00 0.00 179.01 178.98 2kk0 h GLU 122 N 0.15 -0.03 0.04 0.00 4.57 -1.12 -2.30 114.58 115.89 2kk0 h GLU 122 Ca -0.07 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 57.86 2kk0 h GLU 122 Cb 1.60 0.01 0.01 0.00 -0.16 0.00 0.00 28.75 30.20 2kk0 h GLU 122 CO 0.15 0.67 -1.05 0.87 -1.18 0.00 0.00 179.01 178.48 2kk0 h LYS 123 N -0.93 0.45 0.00 1.92 1.79 -1.19 -3.40 116.57 115.22 2kk0 h LYS 123 Ca -0.00 -0.54 -0.11 0.00 -2.18 0.00 0.00 60.65 57.82 2kk0 h LYS 123 Cb 0.72 0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 31.51 2kk0 h LYS 123 CO 0.01 1.19 -1.40 0.54 -1.08 0.00 0.00 179.45 178.70 2kk0 n ARG 124 N -3.73 0.82 -2.18 3.15 5.12 -0.73 -5.04 116.66 114.06 2kk0 n ARG 124 Ca -0.08 0.03 -0.01 0.00 -1.93 0.00 0.00 57.85 55.86 2kk0 n ARG 124 Cb 0.89 -1.14 0.00 0.00 -1.16 0.00 0.00 32.46 31.05 2kk0 n ARG 124 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kk0 n GLY 125 N 3.05 0.54 0.21 -0.13 0.00 0.14 -4.97 105.19 104.02 2kk0 n GLY 125 Ca -0.12 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.02 -0.37 -8.71 0.99 3.38 -1.76 -3.46 115.31 105.35 2kk0 h LEU 126 Ca -0.01 -0.17 -0.62 0.00 0.09 0.00 0.00 57.88 57.16 2kk0 h LEU 126 Cb 1.01 0.10 -0.24 0.00 0.09 0.00 0.00 40.66 41.62 2kk0 h LEU 126 CO 0.01 0.03 -0.85 -0.44 0.09 0.00 0.00 178.44 177.28 2kk0 s SER 127 N -5.08 2.84 0.01 -0.43 0.01 -1.26 -4.97 113.70 104.83 2kk0 s SER 127 Ca -0.13 -0.64 0.02 0.00 1.31 0.00 0.00 55.95 56.50 2kk0 s SER 127 Cb 0.02 -0.20 -0.04 0.00 0.21 0.00 0.00 66.02 66.01 2kk0 s SER 127 CO 0.50 0.15 0.01 0.20 0.41 0.00 0.00 173.24 174.52 2kk0 s ASN 128 N -1.63 5.18 0.60 2.44 0.01 -1.26 -4.61 114.94 115.67 2kk0 s ASN 128 Ca 0.10 -0.01 0.31 0.00 -0.71 0.00 0.00 52.86 52.54 2kk0 s ASN 128 Cb -0.10 -1.35 1.78 0.00 0.41 0.00 0.00 41.25 41.99 2kk0 s ASN 128 CO 0.04 0.26 2.15 1.55 -1.51 0.00 0.00 177.10 179.59 2kk0 h PRO 129 N 4.16 0.00 0.49 -0.60 0.13 -2.01 -1.52 132.00 132.64 2kk0 h PRO 129 Ca -0.49 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 2kk0 h PRO 129 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kk0 h PRO 129 CO 0.59 0.00 -0.23 -0.91 -0.23 0.00 0.00 178.00 177.21 2kk0 h ASN 130 N 0.00 -0.55 -0.54 1.44 2.35 -2.02 -3.08 115.58 113.17 2kk0 h ASN 130 Ca 0.05 0.02 0.10 0.00 -0.55 0.00 0.00 56.30 55.92 2kk0 h ASN 130 Cb 0.34 0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.82 2kk0 h ASN 130 CO -0.00 -0.14 0.37 1.05 -1.65 0.00 0.00 177.43 177.06 2kk0 h GLU 131 N -1.16 0.31 -0.22 0.81 4.11 -1.93 -2.58 114.58 113.91 2kk0 h GLU 131 Ca -0.07 -0.02 0.06 0.00 0.07 0.00 0.00 59.36 59.40 2kk0 h GLU 131 Cb 0.50 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 2kk0 h GLU 131 CO 0.11 0.20 -0.20 1.25 0.07 0.00 0.00 179.01 180.44 2kk0 h LEU 132 N 0.32 -0.65 -0.72 3.06 5.85 -1.29 -1.23 115.31 120.64 2kk0 h LEU 132 Ca 0.25 0.12 0.01 0.00 0.84 0.00 0.00 57.88 59.11 2kk0 h LEU 132 Cb 0.57 0.31 -0.04 0.00 0.37 0.00 0.00 40.66 41.88 2kk0 h LEU 132 CO -0.06 -0.24 0.47 -0.61 -0.34 0.00 0.00 178.44 177.66 2kk0 h GLN 133 N -0.21 0.92 -0.69 1.25 5.75 -1.37 -1.04 115.11 119.72 2kk0 h GLN 133 Ca 0.13 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.58 2kk0 h GLN 133 Cb 0.41 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.72 2kk0 h GLN 133 CO -0.35 0.61 0.44 0.00 -2.65 0.00 0.00 178.83 176.88 2kk0 h ALA 134 N 1.28 0.87 0.09 3.38 0.00 -1.50 -0.68 119.26 122.69 2kk0 h ALA 134 Ca 0.27 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.13 2kk0 h ALA 134 Cb -0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 2kk0 h ALA 134 CO -0.07 0.32 -0.17 0.00 0.00 0.00 0.00 179.25 179.32 2kk0 h ALA 135 N 1.23 -0.28 -0.31 0.00 0.00 -0.61 -1.20 119.26 118.10 2kk0 h ALA 135 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2kk0 h ALA 135 Cb -0.07 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2kk0 h ALA 135 CO -0.05 -0.69 0.20 0.82 0.00 0.00 0.00 179.25 179.53 2kk0 h ILE 136 N -0.33 1.09 -0.84 0.00 2.04 -0.98 -1.36 117.51 117.14 2kk0 h ILE 136 Ca 0.03 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 2kk0 h ILE 136 Cb 0.35 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 2kk0 h ILE 136 CO -0.10 0.09 0.48 -0.78 0.00 0.00 0.00 178.15 177.84 2kk0 h ASP 137 N 0.41 1.03 -0.53 1.72 1.82 -1.07 0.91 116.42 120.70 2kk0 h ASP 137 Ca 0.11 -0.08 0.02 0.00 -0.39 0.00 0.00 57.03 56.69 2kk0 h ASP 137 Cb -0.03 -0.26 -0.03 0.00 0.68 0.00 0.00 39.33 39.69 2kk0 h ASP 137 CO -0.02 0.81 0.35 0.28 -1.61 0.00 0.00 179.24 179.05 2kk0 h SER 138 N 1.16 0.56 0.36 2.28 0.02 -0.81 -1.41 113.55 115.70 2kk0 h SER 138 Ca 0.30 -0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 61.06 2kk0 h SER 138 Cb -0.01 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 2kk0 h SER 138 CO -0.05 0.39 -0.75 0.78 -1.14 0.00 0.00 176.83 176.06 2kk0 h ASN 139 N 0.65 0.39 -0.64 3.07 -0.26 -0.10 -3.28 115.58 115.42 2kk0 h ASN 139 Ca 0.20 -0.26 -0.05 0.00 -0.56 0.00 0.00 56.30 55.63 2kk0 h ASN 139 Cb 0.02 -0.12 -0.03 0.00 -1.06 0.00 0.00 38.32 37.13 2kk0 h ASN 139 CO -0.05 1.00 0.21 0.03 -1.06 0.00 0.00 177.43 177.56 2kk0 h ARG 140 N 0.21 0.98 0.00 0.81 3.08 0.12 -2.67 114.38 116.91 2kk0 h ARG 140 Ca -0.03 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.81 2kk0 h ARG 140 Cb 1.32 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2kk0 h ARG 140 CO 0.12 0.86 0.00 -0.09 -1.07 0.00 0.00 179.97 179.79 2kk0 h ARG 141 N 0.91 0.00 -5.72 0.04 2.43 -1.36 -3.35 114.38 107.34 2kk0 h ARG 141 Ca 0.21 0.00 -0.66 0.00 -0.81 0.00 0.00 59.98 58.72 2kk0 h ARG 141 Cb 0.28 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 29.72 2kk0 h ARG 141 CO -0.01 0.00 1.67 -1.21 -1.51 0.00 0.00 179.97 178.91 2kk0 s GLU 142 N -3.77 3.80 0.27 0.20 2.02 -1.01 -4.21 118.70 116.01 2kk0 s GLU 142 Ca -0.01 -1.71 0.00 0.00 0.02 0.00 0.00 54.97 53.27 2kk0 s GLU 142 Cb 0.10 -5.34 0.00 0.00 0.10 0.00 0.00 34.13 28.99 2kk0 s GLU 142 CO 0.43 -2.12 0.00 0.41 0.02 0.00 0.00 175.26 174.00 2kk0 n GLY 143 N 5.82 -1.48 3.76 -1.39 0.00 -1.26 -5.03 105.19 105.61 2kk0 n GLY 143 Ca 0.38 0.38 -0.33 0.00 0.00 0.00 0.00 46.02 46.45 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 -2.00 2.19 0.00 1.61 1.70 -1.26 -5.25 118.95 115.94 2kk0 s ARG 144 Ca 0.00 -2.39 0.28 0.00 -0.47 0.00 0.00 55.73 53.15 2kk0 s ARG 144 Cb 0.00 -1.54 1.07 0.00 -0.57 0.00 0.00 34.95 33.91 2kk0 s ARG 144 CO 0.00 -0.36 1.76 0.54 -1.08 0.00 0.00 175.30 176.16