#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2j n LYS 9 N 0.00 3.36 -5.02 1.97 4.81 -1.26 -4.86 118.16 117.17 2k2j n LYS 9 Ca 0.00 -2.05 -0.32 0.00 -0.87 0.00 0.00 58.31 55.07 2k2j n LYS 9 Cb 0.00 -1.91 -0.15 0.00 0.02 0.00 0.00 35.03 32.99 2k2j n LYS 9 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2k2j s ASP 10 N -0.60 3.61 0.00 3.14 1.01 -1.26 -5.06 116.67 117.52 2k2j s ASP 10 Ca 0.36 -0.37 0.00 0.00 0.71 0.00 0.00 52.55 53.25 2k2j s ASP 10 Cb 0.26 -1.10 0.00 0.00 1.01 0.00 0.00 42.92 43.09 2k2j s ASP 10 CO 0.13 0.24 0.00 -0.62 0.21 0.00 0.00 175.17 175.13 2k2j n GLU 11 N 2.98 0.00 -0.48 8.23 1.02 -1.26 -4.93 120.64 126.19 2k2j n GLU 11 Ca -0.18 0.34 -0.00 0.00 -0.02 0.00 0.00 57.16 57.30 2k2j n GLU 11 Cb 0.52 -0.83 -0.00 0.00 -0.02 0.00 0.00 31.44 31.11 2k2j n GLU 11 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2k2j n HIS 12 N -1.98 0.00 -1.68 -0.32 1.44 -1.26 -5.12 115.22 106.30 2k2j n HIS 12 Ca 0.00 -0.04 -0.46 0.00 -2.01 0.00 0.00 57.72 55.22 2k2j n HIS 12 Cb 0.00 0.26 -0.04 0.00 0.12 0.00 0.00 29.99 30.33 2k2j n HIS 12 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2k2j n LYS 13 N 0.00 2.36 -4.31 -1.40 4.76 -1.26 -4.98 118.16 113.33 2k2j n LYS 13 Ca -0.02 0.86 -0.18 0.00 -2.87 0.00 0.00 58.31 56.10 2k2j n LYS 13 Cb 0.46 -2.70 -0.14 0.00 -1.84 0.00 0.00 35.03 30.81 2k2j n LYS 13 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2k2j s GLN 14 N 2.82 0.72 -0.28 1.97 -1.52 -1.26 -5.10 119.66 117.00 2k2j s GLN 14 Ca 0.86 -0.45 -0.23 0.00 -1.95 0.00 0.00 55.36 53.59 2k2j s GLN 14 Cb -0.62 -0.67 0.12 0.00 -0.22 0.00 0.00 33.01 31.61 2k2j s GLN 14 CO 0.43 0.18 0.97 -1.14 -0.25 0.00 0.00 175.29 175.48 2k2j s GLN 15 N -0.57 0.52 0.00 2.91 0.74 -1.26 -1.79 119.66 120.21 2k2j s GLN 15 Ca 0.01 0.69 0.00 0.00 0.05 0.00 0.00 55.36 56.11 2k2j s GLN 15 Cb -0.05 0.22 0.00 0.00 1.10 0.00 0.00 33.01 34.28 2k2j s GLN 15 CO 0.00 -0.07 0.00 0.41 -0.55 0.00 0.00 175.29 175.08 2k2j n GLY 16 N 2.69 -0.75 3.49 2.59 0.00 -0.66 -5.00 105.19 107.54 2k2j n GLY 16 Ca -0.14 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 2k2j n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k2j s GLU 17 N -0.94 2.27 0.27 1.61 8.01 -1.26 -0.41 118.70 128.24 2k2j s GLU 17 Ca 0.00 -0.87 -0.03 0.00 0.01 0.00 0.00 54.97 54.09 2k2j s GLU 17 Cb 0.00 -2.29 -0.02 0.00 -4.31 0.00 0.00 34.13 27.51 2k2j s GLU 17 CO 0.00 0.57 0.32 -0.51 0.01 0.00 0.00 175.26 175.65 2k2j s LEU 18 N -1.30 1.03 -0.02 1.80 1.43 -0.97 -4.87 118.68 115.79 2k2j s LEU 18 Ca 0.15 -1.37 0.05 0.00 -1.03 0.00 0.00 54.13 51.92 2k2j s LEU 18 Cb -0.11 0.99 -0.01 0.00 0.03 0.00 0.00 46.19 47.09 2k2j s LEU 18 CO 0.05 -1.06 -0.17 -0.31 0.23 0.00 0.00 176.35 175.09 2k2j s TYR 19 N -3.73 1.61 0.04 0.29 1.51 -1.16 -2.59 117.35 113.31 2k2j s TYR 19 Ca 0.34 -0.35 0.03 0.00 -1.01 0.00 0.00 57.07 56.07 2k2j s TYR 19 Cb 0.03 -1.05 -0.02 0.00 -0.11 0.00 0.00 41.96 40.80 2k2j s TYR 19 CO 0.16 -0.07 -0.09 -1.64 -1.11 0.00 0.00 175.55 172.81 2k2j s MET 20 N -0.27 0.58 0.16 -0.62 -1.94 -1.25 -1.43 119.30 114.53 2k2j s MET 20 Ca 0.04 -0.67 -0.32 0.00 -1.71 0.00 0.00 55.69 53.03 2k2j s MET 20 Cb -0.08 -0.44 -0.10 0.00 2.01 0.00 0.00 34.83 36.22 2k2j s MET 20 CO 0.00 0.09 1.54 -0.46 -0.01 0.00 0.00 175.02 176.19 2k2j s TRP 21 N -1.07 3.09 -0.33 -0.03 -0.00 -0.89 -3.94 118.94 115.77 2k2j s TRP 21 Ca -0.06 0.67 0.01 0.00 -0.00 0.00 0.00 56.10 56.73 2k2j s TRP 21 Cb -0.08 -3.89 0.08 0.00 -0.00 0.00 0.00 33.47 29.58 2k2j s TRP 21 CO 0.01 -3.28 0.04 -0.51 -0.00 0.00 0.00 176.95 173.20 2k2j s ASP 22 N 1.14 4.82 0.00 5.86 1.01 -0.91 -4.83 116.67 123.76 2k2j s ASP 22 Ca 0.69 -1.80 0.22 0.00 0.71 0.00 0.00 52.55 52.37 2k2j s ASP 22 Cb -0.43 -1.67 1.09 0.00 1.01 0.00 0.00 42.92 42.93 2k2j s ASP 22 CO 0.31 -0.35 1.71 -1.54 0.21 0.00 0.00 175.17 175.51 2k2j n SER 23 N 4.43 0.00 -0.03 0.27 3.41 -1.26 0.52 113.62 120.96 2k2j n SER 23 Ca -0.04 0.01 -0.13 0.00 -0.26 0.00 0.00 58.87 58.44 2k2j n SER 23 Cb 0.42 -0.30 -0.10 0.00 -0.26 0.00 0.00 64.21 63.97 2k2j n SER 23 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2k2j h ILE 24 N 0.00 1.43 -0.05 -1.33 1.08 -1.95 -3.33 117.51 113.36 2k2j h ILE 24 Ca 0.00 -1.36 0.00 0.00 -0.39 0.00 0.00 64.86 63.11 2k2j h ILE 24 Cb 0.22 2.29 0.00 0.00 -3.07 0.00 0.00 36.82 36.26 2k2j h ILE 24 CO 0.00 0.36 0.00 0.47 -0.69 0.00 0.00 178.15 178.29 2k2j n ASP 25 N -4.75 1.75 -3.44 1.72 9.92 -1.20 -5.03 116.55 115.52 2k2j n ASP 25 Ca -0.08 -1.42 -0.15 0.00 -0.53 0.00 0.00 54.79 52.61 2k2j n ASP 25 Cb 0.31 -0.03 0.01 0.00 -0.64 0.00 0.00 41.12 40.77 2k2j n ASP 25 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k2j n GLN 26 N 0.32 -1.41 -3.87 -1.24 1.13 0.18 -4.99 117.38 107.51 2k2j n GLN 26 Ca 0.04 1.04 -0.04 0.00 -1.94 0.00 0.00 57.00 56.10 2k2j n GLN 26 Cb 0.20 -4.20 0.02 0.00 0.11 0.00 0.00 30.24 26.37 2k2j n GLN 26 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 2k2j s LYS 27 N -4.23 1.51 -0.33 -1.09 -2.85 -0.98 -5.00 119.74 106.76 2k2j s LYS 27 Ca 0.09 -0.97 -0.09 0.00 -1.00 0.00 0.00 55.97 54.00 2k2j s LYS 27 Cb -0.03 0.42 0.01 0.00 -2.06 0.00 0.00 37.83 36.18 2k2j s LYS 27 CO 0.82 -0.71 0.14 -1.58 0.10 0.00 0.00 175.35 174.13 2k2j s TRP 28 N -2.20 3.20 0.31 1.78 0.52 -1.26 -2.14 118.94 119.13 2k2j s TRP 28 Ca 0.20 -0.89 0.06 0.00 0.02 0.00 0.00 56.10 55.49 2k2j s TRP 28 Cb -0.03 -2.34 -0.02 0.00 -1.15 0.00 0.00 33.47 29.93 2k2j s TRP 28 CO 0.07 -0.57 0.44 0.95 0.02 0.00 0.00 176.95 177.85 2k2j s THR 29 N 1.54 4.46 -0.24 2.01 -4.23 -1.25 -4.99 115.64 112.93 2k2j s THR 29 Ca 0.03 -0.99 -0.08 0.00 -1.18 0.00 0.00 61.69 59.47 2k2j s THR 29 Cb -0.18 -3.56 -0.03 0.00 1.34 0.00 0.00 72.50 70.07 2k2j s THR 29 CO 0.05 -0.22 0.09 -0.60 -0.54 0.00 0.00 174.62 173.40 2k2j s ARG 30 N -4.12 3.75 -0.03 3.99 3.52 -1.26 -3.94 118.95 120.86 2k2j s ARG 30 Ca 0.41 -0.43 0.03 0.00 -0.13 0.00 0.00 55.73 55.61 2k2j s ARG 30 Cb -0.09 -3.35 0.00 0.00 -1.56 0.00 0.00 34.95 29.94 2k2j s ARG 30 CO 0.30 -0.11 -0.11 -3.38 -0.81 0.00 0.00 175.30 171.20 2k2j s HIS 31 N 1.42 1.17 -0.76 5.12 -3.43 -1.07 -3.36 115.29 114.38 2k2j s HIS 31 Ca 0.06 -0.31 -0.26 0.00 -0.80 0.00 0.00 55.06 53.75 2k2j s HIS 31 Cb -0.15 -0.82 -0.00 0.00 -1.43 0.00 0.00 32.58 30.18 2k2j s HIS 31 CO 0.04 -0.12 1.67 -0.47 -2.00 0.00 0.00 174.74 173.87 2k2j s TYR 32 N 0.14 1.97 0.51 0.38 5.04 -1.26 -2.29 117.35 121.84 2k2j s TYR 32 Ca -0.03 0.32 -0.07 0.00 -2.44 0.00 0.00 57.07 54.86 2k2j s TYR 32 Cb -0.09 -4.30 -0.04 0.00 0.35 0.00 0.00 41.96 37.88 2k2j s TYR 32 CO 0.01 -2.09 0.84 0.00 -1.34 0.00 0.00 175.55 172.97 2k2j s ALA 34 N -2.83 -2.36 -0.52 0.00 0.00 -0.96 -1.65 121.76 113.44 2k2j s ALA 34 Ca 0.49 2.19 -0.23 0.00 0.00 0.00 0.00 51.96 54.42 2k2j s ALA 34 Cb -0.10 -1.82 0.04 0.00 0.00 0.00 0.00 23.12 21.24 2k2j s ALA 34 CO 0.47 -0.65 0.83 0.42 0.00 0.00 0.00 175.76 176.83 2k2j s ILE 35 N 1.98 4.57 -0.26 0.00 1.01 -0.74 -1.89 121.20 125.87 2k2j s ILE 35 Ca -0.06 0.12 -0.09 0.00 0.00 0.00 0.00 60.65 60.61 2k2j s ILE 35 Cb -0.06 -4.43 -0.04 0.00 0.01 0.00 0.00 42.46 37.94 2k2j s ILE 35 CO -0.17 -0.95 0.13 0.00 0.00 0.00 0.00 174.94 173.95 2k2j s ALA 36 N 3.47 3.38 0.00 9.38 0.00 0.52 -4.53 121.76 133.97 2k2j s ALA 36 Ca 0.26 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.16 2k2j s ALA 36 Cb -0.14 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.72 2k2j s ALA 36 CO 0.18 -0.44 0.00 -3.47 0.00 0.00 0.00 175.76 172.03 2k2j n ASP 37 N 4.82 0.00 0.00 0.00 2.03 -1.26 -1.20 116.55 120.94 2k2j n ASP 37 Ca -0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.16 2k2j n ASP 37 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 2k2j n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k2j n ALA 38 N 2.51 0.27 -2.51 -1.67 0.00 -1.26 -5.10 120.51 112.74 2k2j n ALA 38 Ca 0.00 -0.11 -0.29 0.00 0.00 0.00 0.00 53.44 53.04 2k2j n ALA 38 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 2k2j n ALA 38 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2k2j s LYS 39 N 0.00 1.85 -0.27 0.00 1.02 -0.34 -4.45 119.74 117.55 2k2j s LYS 39 Ca 0.00 -1.17 -0.07 0.00 0.02 0.00 0.00 55.97 54.75 2k2j s LYS 39 Cb 0.00 -2.14 -0.01 0.00 -0.52 0.00 0.00 37.83 35.16 2k2j s LYS 39 CO 0.00 0.48 0.06 -1.17 -0.92 0.00 0.00 175.35 173.80 2k2j s LEU 40 N -2.23 3.58 -0.17 3.17 2.96 -0.97 -0.36 118.68 124.66 2k2j s LEU 40 Ca 0.19 -0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 53.62 2k2j s LEU 40 Cb -0.10 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 2k2j s LEU 40 CO 0.11 -0.11 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.48 2k2j s SER 41 N 1.55 3.92 -0.14 3.68 0.01 -0.79 -0.43 113.70 121.51 2k2j s SER 41 Ca 0.05 -0.42 -0.03 0.00 1.31 0.00 0.00 55.95 56.86 2k2j s SER 41 Cb -0.16 -1.63 -0.03 0.00 0.21 0.00 0.00 66.02 64.42 2k2j s SER 41 CO 0.02 0.06 -0.05 0.72 0.41 0.00 0.00 173.24 174.41 2k2j s PHE 42 N 0.95 3.01 0.69 2.43 -0.71 -0.57 -2.26 117.98 121.52 2k2j s PHE 42 Ca -0.02 -0.25 -0.04 0.00 -1.04 0.00 0.00 56.93 55.58 2k2j s PHE 42 Cb -0.15 -1.91 0.07 0.00 -1.21 0.00 0.00 43.02 39.83 2k2j s PHE 42 CO -0.01 0.03 0.98 -1.54 -1.34 0.00 0.00 175.22 173.34 2k2j s SER 43 N 0.13 4.73 1.02 1.98 1.04 -1.05 -2.63 113.70 118.92 2k2j s SER 43 Ca -0.02 0.20 -0.12 0.00 0.48 0.00 0.00 55.95 56.50 2k2j s SER 43 Cb -0.14 -0.82 0.20 0.00 0.10 0.00 0.00 66.02 65.36 2k2j s SER 43 CO 0.03 -1.61 1.08 -0.62 0.98 0.00 0.00 173.24 173.10 2k2j s ASP 44 N -4.56 2.24 0.22 7.02 2.15 -1.12 -4.06 116.67 118.56 2k2j s ASP 44 Ca 0.61 1.70 -0.29 0.00 0.43 0.00 0.00 52.55 55.00 2k2j s ASP 44 Cb -0.09 -2.34 -0.16 0.00 -0.30 0.00 0.00 42.92 40.03 2k2j s ASP 44 CO 0.44 -3.44 0.84 0.47 -0.17 0.00 0.00 175.17 173.31 2k2j n ASP 45 N -4.43 0.23 -1.46 -0.34 9.92 -1.26 -4.45 116.55 114.77 2k2j n ASP 45 Ca 0.07 1.15 0.11 0.00 -0.53 0.00 0.00 54.79 55.59 2k2j n ASP 45 Cb 0.54 -1.12 0.34 0.00 -0.64 0.00 0.00 41.12 40.24 2k2j n ASP 45 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 2k2j n ILE 46 N 0.41 1.28 0.00 0.53 -5.35 -1.21 -4.23 119.36 110.78 2k2j n ILE 46 Ca 0.14 -1.06 0.00 0.00 -0.27 0.00 0.00 62.75 61.56 2k2j n ILE 46 Cb 0.27 0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.54 2k2j n ILE 46 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 2k2j n GLU 47 N 1.52 0.00 0.06 6.28 0.28 -1.26 -4.94 120.64 122.58 2k2j n GLU 47 Ca 0.25 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 57.18 2k2j n GLU 47 Cb 0.72 0.00 0.06 0.00 1.43 0.00 0.00 31.44 33.65 2k2j n GLU 47 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 2k2j h GLN 48 N 0.00 0.33 0.00 3.44 4.20 -1.90 -3.45 115.11 117.73 2k2j h GLN 48 Ca 0.00 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.45 2k2j h GLN 48 Cb 0.00 0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.83 2k2j h GLN 48 CO 0.00 0.89 0.00 0.25 -0.67 0.00 0.00 178.83 179.30 2k2j n THR 49 N -3.84 0.00 -2.40 -0.54 -2.24 -1.26 -4.79 114.28 99.21 2k2j n THR 49 Ca -0.03 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.73 2k2j n THR 49 Cb 0.68 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.89 2k2j n THR 49 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2k2j n MET 50 N 0.00 -3.05 -3.94 -0.78 2.81 -1.26 -4.71 117.12 106.19 2k2j n MET 50 Ca 0.00 2.48 -0.22 0.00 -1.81 0.00 0.00 57.70 58.16 2k2j n MET 50 Cb 0.00 -4.31 -0.17 0.00 -0.71 0.00 0.00 33.22 28.03 2k2j n MET 50 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2k2j s GLU 51 N -1.07 0.72 0.09 0.03 2.02 -1.26 -5.03 118.70 114.19 2k2j s GLU 51 Ca -0.09 0.01 -0.24 0.00 0.02 0.00 0.00 54.97 54.67 2k2j s GLU 51 Cb 0.01 -0.92 -0.16 0.00 0.10 0.00 0.00 34.13 33.16 2k2j s GLU 51 CO 0.61 -0.20 1.72 0.93 0.02 0.00 0.00 175.26 178.33 2k2j h GLU 52 N 7.80 -0.12 0.00 1.61 4.39 -2.04 -3.36 114.58 122.87 2k2j h GLU 52 Ca -0.29 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.39 2k2j h GLU 52 Cb 1.14 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.76 2k2j h GLU 52 CO 0.36 -0.07 -0.52 -0.40 -1.16 0.00 0.00 179.01 177.22 2k2j n ASP 53 N -5.14 0.12 -3.25 1.42 5.68 -1.26 -5.04 116.55 109.08 2k2j n ASP 53 Ca -0.08 -1.90 -0.07 0.00 -0.50 0.00 0.00 54.79 52.24 2k2j n ASP 53 Cb 0.08 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 2k2j n ASP 53 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2k2j n ASN 54 N 0.07 -7.06 0.16 -1.12 4.13 -1.26 -4.94 115.26 105.24 2k2j n ASN 54 Ca 0.00 -0.31 -0.14 0.00 1.68 0.00 0.00 54.58 55.81 2k2j n ASN 54 Cb 0.74 -4.44 -0.08 0.00 -1.54 0.00 0.00 39.78 34.46 2k2j n ASN 54 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 2k2j h PRO 55 N 0.21 -0.34 0.00 3.52 0.11 -1.96 -3.47 132.00 130.08 2k2j h PRO 55 Ca -0.17 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.96 2k2j h PRO 55 Cb 1.11 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2k2j h PRO 55 CO 0.32 -0.14 0.00 -0.11 -0.21 0.00 0.00 178.00 177.86 2k2j n LEU 56 N -5.19 -1.67 -0.66 2.35 7.94 -1.26 -5.09 117.00 113.42 2k2j n LEU 56 Ca -0.10 0.36 0.00 0.00 -1.11 0.00 0.00 56.01 55.16 2k2j n LEU 56 Cb 0.20 1.85 0.00 0.00 0.53 0.00 0.00 43.42 46.00 2k2j n LEU 56 CO 0.34 -0.18 0.00 0.61 -1.11 0.00 0.00 177.39 177.05 2k2j n GLY 57 N -1.48 0.72 3.50 -3.96 0.00 -1.26 -5.08 105.19 97.63 2k2j n GLY 57 Ca 0.00 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 2k2j n GLY 57 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k2j s SER 58 N -2.30 0.73 0.00 1.61 1.04 -1.26 -5.03 113.70 108.49 2k2j s SER 58 Ca 0.00 1.09 0.00 0.00 0.48 0.00 0.00 55.95 57.52 2k2j s SER 58 Cb 0.00 -1.65 0.00 0.00 0.10 0.00 0.00 66.02 64.47 2k2j s SER 58 CO 0.00 -4.29 0.00 -0.11 0.98 0.00 0.00 173.24 169.82 2k2j n LEU 59 N -4.94 0.91 -4.58 2.42 0.00 -1.26 -4.39 117.00 105.16 2k2j n LEU 59 Ca 0.07 0.18 -0.41 0.00 0.00 0.00 0.00 56.01 55.86 2k2j n LEU 59 Cb 0.57 -0.27 -0.03 0.00 0.00 0.00 0.00 43.42 43.69 2k2j n LEU 59 CO 0.52 -0.27 1.82 0.00 0.00 0.00 0.00 177.39 179.45 2k2j n ARG 61 N 8.80 0.69 -3.58 0.00 5.12 -1.08 -4.99 116.66 121.62 2k2j n ARG 61 Ca 0.30 0.22 -0.15 0.00 -1.93 0.00 0.00 57.85 56.29 2k2j n ARG 61 Cb 0.48 -1.60 -0.06 0.00 -1.16 0.00 0.00 32.46 30.13 2k2j n ARG 61 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2k2j s GLY 62 N -6.04 -0.43 -0.04 -0.13 0.00 -1.18 -5.05 107.32 94.45 2k2j s GLY 62 Ca -0.30 0.70 -0.03 0.00 0.00 0.00 0.00 44.72 45.09 2k2j s GLY 62 CO 0.66 0.40 0.09 -0.42 0.00 0.00 0.00 173.10 173.83 2k2j s ILE 63 N -2.13 -0.01 -0.37 0.90 1.01 -1.26 -1.51 121.20 117.83 2k2j s ILE 63 Ca -0.07 0.05 -0.15 0.00 0.00 0.00 0.00 60.65 60.48 2k2j s ILE 63 Cb -0.01 -0.14 -0.00 0.00 0.01 0.00 0.00 42.46 42.32 2k2j s ILE 63 CO 0.01 0.02 0.34 -0.76 0.00 0.00 0.00 174.94 174.54 2k2j s LEU 64 N 0.31 4.67 0.44 2.97 2.01 0.43 -4.93 118.68 124.59 2k2j s LEU 64 Ca -0.02 -0.49 0.24 0.00 0.01 0.00 0.00 54.13 53.86 2k2j s LEU 64 Cb -0.03 -2.27 1.24 0.00 0.01 0.00 0.00 46.19 45.14 2k2j s LEU 64 CO -0.01 -0.38 1.79 0.44 1.01 0.00 0.00 176.35 179.20 2k2j h ASP 65 N 8.55 0.31 0.00 2.29 3.32 -1.90 -2.57 116.42 126.42 2k2j h ASP 65 Ca -0.29 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.82 2k2j h ASP 65 Cb 1.14 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.69 2k2j h ASP 65 CO 0.71 0.06 0.00 0.18 -1.72 0.00 0.00 179.24 178.47 2k2j n LEU 66 N -4.49 0.95 0.01 1.55 4.77 -1.26 -4.42 117.00 114.11 2k2j n LEU 66 Ca 0.24 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.33 2k2j n LEU 66 Cb 0.96 -1.93 -0.13 0.00 -2.33 0.00 0.00 43.42 39.99 2k2j n LEU 66 CO 0.30 -0.72 -0.54 0.59 -1.33 0.00 0.00 177.39 175.69 2k2j n ASN 67 N -0.49 0.23 -3.21 -1.43 4.13 -1.26 -4.24 115.26 108.99 2k2j n ASN 67 Ca 0.00 0.01 -0.24 0.00 1.68 0.00 0.00 54.58 56.03 2k2j n ASN 67 Cb 0.24 1.60 -0.07 0.00 -1.54 0.00 0.00 39.78 40.01 2k2j n ASN 67 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2k2j n THR 68 N -2.30 -0.69 -3.99 3.41 -2.24 -1.26 -5.01 114.28 102.20 2k2j n THR 68 Ca -0.03 -3.98 -0.10 0.00 -2.27 0.00 0.00 64.05 57.68 2k2j n THR 68 Cb 0.55 -1.94 -0.05 0.00 -2.10 0.00 0.00 70.33 66.80 2k2j n THR 68 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2k2j s TYR 69 N -1.09 0.40 -0.02 4.78 2.02 -1.26 -0.39 117.35 121.79 2k2j s TYR 69 Ca 0.35 -0.77 0.00 0.00 -0.37 0.00 0.00 57.07 56.28 2k2j s TYR 69 Cb 0.16 0.22 0.03 0.00 -0.40 0.00 0.00 41.96 41.96 2k2j s TYR 69 CO -0.12 -1.05 0.01 -0.80 -1.57 0.00 0.00 175.55 172.02 2k2j s ASN 70 N -3.04 0.23 -0.16 2.29 0.01 0.77 -4.81 114.94 110.23 2k2j s ASN 70 Ca 0.22 0.00 -0.14 0.00 -0.71 0.00 0.00 52.86 52.24 2k2j s ASN 70 Cb -0.01 -0.13 -0.05 0.00 0.41 0.00 0.00 41.25 41.47 2k2j s ASN 70 CO 0.10 -0.10 0.30 -0.69 -1.51 0.00 0.00 177.10 175.20 2k2j s VAL 71 N 0.94 5.30 -0.07 1.60 1.01 -1.26 -0.32 120.40 127.61 2k2j s VAL 71 Ca -0.09 0.56 -0.01 0.00 0.00 0.00 0.00 61.98 62.45 2k2j s VAL 71 Cb -0.12 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 32.65 2k2j s VAL 71 CO -0.02 0.38 0.00 0.68 0.00 0.00 0.00 175.10 176.15 2k2j s VAL 72 N 0.49 0.34 -0.52 2.92 -7.23 -0.63 -4.98 120.40 110.80 2k2j s VAL 72 Ca 0.17 0.13 -0.28 0.00 -1.81 0.00 0.00 61.98 60.19 2k2j s VAL 72 Cb -0.13 -0.50 -0.00 0.00 0.56 0.00 0.00 36.38 36.31 2k2j s VAL 72 CO 0.04 0.25 1.64 -0.75 -0.31 0.00 0.00 175.10 175.97 2k2j s LYS 73 N 1.89 3.11 -0.21 4.82 2.20 -1.26 -1.21 119.74 129.07 2k2j s LYS 73 Ca 0.04 0.74 -0.25 0.00 -0.36 0.00 0.00 55.97 56.13 2k2j s LYS 73 Cb -0.12 -4.22 -0.01 0.00 -1.51 0.00 0.00 37.83 31.97 2k2j s LYS 73 CO -0.05 -2.16 0.85 0.00 -0.36 0.00 0.00 175.35 173.63 2k2j s ALA 74 N 7.18 3.60 0.50 3.13 0.00 0.30 -4.98 121.76 131.49 2k2j s ALA 74 Ca 0.63 -0.05 -0.18 0.00 0.00 0.00 0.00 51.96 52.37 2k2j s ALA 74 Cb -0.14 -3.29 -0.08 0.00 0.00 0.00 0.00 23.12 19.61 2k2j s ALA 74 CO 0.26 -0.83 0.98 -2.14 0.00 0.00 0.00 175.76 174.03 2k2j s PRO 75 N 2.62 3.97 -1.49 0.00 0.02 -1.26 -2.61 135.00 136.24 2k2j s PRO 75 Ca 0.37 1.02 0.00 0.00 0.02 0.00 0.00 61.00 62.41 2k2j s PRO 75 Cb -0.16 -2.14 0.00 0.00 0.02 0.00 0.00 34.50 32.23 2k2j s PRO 75 CO 0.09 -0.26 0.00 0.94 -0.33 0.00 0.00 177.00 177.44 2k2j n GLN 76 N -1.38 -1.56 0.00 5.54 7.27 -0.66 -4.64 117.38 121.96 2k2j n GLN 76 Ca 0.07 0.83 0.00 0.00 0.07 0.00 0.00 57.00 57.97 2k2j n GLN 76 Cb 0.54 -5.22 0.00 0.00 2.41 0.00 0.00 30.24 27.97 2k2j n GLN 76 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2k2j n GLY 77 N -0.47 2.55 0.00 1.69 0.00 0.67 -4.40 105.19 105.23 2k2j n GLY 77 Ca -0.16 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.43 2k2j n GLY 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k2j n LYS 78 N 11.44 0.00 0.00 1.61 4.81 -1.26 -4.82 118.16 129.94 2k2j n LYS 78 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2k2j n LYS 78 Cb 0.00 -0.14 0.00 0.00 0.02 0.00 0.00 35.03 34.91 2k2j n LYS 78 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2k2j n ASN 79 N -1.46 0.00 0.00 3.14 3.02 -1.26 -4.93 115.26 113.76 2k2j n ASN 79 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2k2j n ASN 79 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2k2j n ASN 79 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k2j n GLN 80 N -1.18 1.45 -1.75 3.52 6.02 -1.26 -5.07 117.38 119.11 2k2j n GLN 80 Ca 0.00 -0.98 -0.09 0.00 -0.01 0.00 0.00 57.00 55.91 2k2j n GLN 80 Cb 0.00 -0.75 0.04 0.00 1.02 0.00 0.00 30.24 30.55 2k2j n GLN 80 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2k2j n LYS 81 N -0.25 0.64 0.00 -1.09 4.76 -1.26 -5.06 118.16 115.90 2k2j n LYS 81 Ca 0.00 -1.34 0.00 0.00 -2.87 0.00 0.00 58.31 54.10 2k2j n LYS 81 Cb 0.37 -0.17 0.00 0.00 -1.84 0.00 0.00 35.03 33.38 2k2j n LYS 81 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2k2j n SER 82 N -2.79 1.96 -4.09 4.39 7.64 -1.26 -3.74 113.62 115.73 2k2j n SER 82 Ca 0.07 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.60 2k2j n SER 82 Cb 0.27 0.10 -0.11 0.00 -1.01 0.00 0.00 64.21 63.45 2k2j n SER 82 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2k2j s PHE 83 N -1.44 3.52 0.06 1.43 0.08 -1.26 -0.24 117.98 120.12 2k2j s PHE 83 Ca 0.00 -2.62 0.07 0.00 0.12 0.00 0.00 56.93 54.50 2k2j s PHE 83 Cb 0.00 -3.16 -0.03 0.00 -0.57 0.00 0.00 43.02 39.26 2k2j s PHE 83 CO 0.00 -0.91 -0.20 0.08 -0.10 0.00 0.00 175.22 174.09 2k2j s VAL 84 N 0.63 1.57 -0.02 -0.44 1.01 -1.07 -3.94 120.40 118.14 2k2j s VAL 84 Ca 0.12 -1.25 0.07 0.00 0.00 0.00 0.00 61.98 60.92 2k2j s VAL 84 Cb -0.22 -1.39 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 2k2j s VAL 84 CO -0.04 0.10 -0.22 -0.36 0.00 0.00 0.00 175.10 174.59 2k2j s PHE 85 N -0.90 1.96 -0.06 5.22 0.40 -0.84 0.11 117.98 123.88 2k2j s PHE 85 Ca 0.06 -0.39 0.04 0.00 -0.60 0.00 0.00 56.93 56.04 2k2j s PHE 85 Cb -0.09 -1.27 -0.02 0.00 0.51 0.00 0.00 43.02 42.15 2k2j s PHE 85 CO 0.02 -0.05 -0.19 0.42 0.70 0.00 0.00 175.22 176.13 2k2j s ILE 86 N -0.47 2.66 -0.21 0.64 1.01 -0.35 -0.87 121.20 123.62 2k2j s ILE 86 Ca 0.07 -0.86 -0.10 0.00 0.00 0.00 0.00 60.65 59.76 2k2j s ILE 86 Cb -0.09 -2.02 -0.05 0.00 0.01 0.00 0.00 42.46 40.31 2k2j s ILE 86 CO -0.00 0.57 0.15 -0.76 0.00 0.00 0.00 174.94 174.90 2k2j s LEU 87 N -0.43 4.18 -0.30 2.97 1.43 0.02 -1.61 118.68 124.94 2k2j s LEU 87 Ca 0.05 0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.34 2k2j s LEU 87 Cb -0.12 -2.11 0.06 0.00 0.03 0.00 0.00 46.19 44.04 2k2j s LEU 87 CO 0.02 0.13 -0.00 -1.61 0.23 0.00 0.00 176.35 175.12 2k2j s GLU 88 N 0.63 2.36 0.71 1.70 2.02 0.57 -2.47 118.70 124.21 2k2j s GLU 88 Ca 0.08 -1.32 -0.16 0.00 0.02 0.00 0.00 54.97 53.59 2k2j s GLU 88 Cb -0.12 -3.17 -0.01 0.00 0.10 0.00 0.00 34.13 30.93 2k2j s GLU 88 CO 0.01 -0.65 0.81 -0.35 0.02 0.00 0.00 175.26 175.10 2k2j n PRO 89 N 4.59 0.45 0.00 0.39 -0.04 -1.26 -0.16 135.00 138.97 2k2j n PRO 89 Ca -0.12 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2k2j n PRO 89 Cb 0.43 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 2k2j n PRO 89 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k2j n LYS 90 N -1.40 -0.40 0.29 0.54 5.02 0.48 -4.79 118.16 117.89 2k2j n LYS 90 Ca 0.12 -0.62 -0.12 0.00 -2.02 0.00 0.00 58.31 55.68 2k2j n LYS 90 Cb 0.49 -0.98 -0.06 0.00 -0.02 0.00 0.00 35.03 34.47 2k2j n LYS 90 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 2k2j h GLN 91 N 0.00 -0.73 0.00 1.97 5.75 -1.93 -3.49 115.11 116.68 2k2j h GLN 91 Ca 0.00 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 2k2j h GLN 91 Cb 0.10 0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.81 2k2j h GLN 91 CO 0.00 -0.49 0.00 0.94 -2.65 0.00 0.00 178.83 176.63 2k2j n GLN 92 N -4.44 0.00 -2.13 1.69 0.00 -1.26 -5.01 117.38 106.24 2k2j n GLN 92 Ca -0.09 0.00 -0.09 0.00 -0.00 0.00 0.00 57.00 56.81 2k2j n GLN 92 Cb 0.30 0.00 0.05 0.00 0.00 0.00 0.00 30.24 30.59 2k2j n GLN 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2k2j n GLY 93 N -0.78 4.03 3.83 1.69 0.00 -1.26 -5.09 105.19 107.61 2k2j n GLY 93 Ca 0.00 -1.75 -0.31 0.00 0.00 0.00 0.00 46.02 43.96 2k2j n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k2j s ASP 94 N -3.49 5.55 0.45 1.61 1.11 -1.26 -5.05 116.67 115.59 2k2j s ASP 94 Ca 0.39 1.61 -0.16 0.00 0.18 0.00 0.00 52.55 54.57 2k2j s ASP 94 Cb 0.37 -2.49 -0.08 0.00 1.07 0.00 0.00 42.92 41.78 2k2j s ASP 94 CO -0.02 -1.33 0.90 -2.16 1.18 0.00 0.00 175.17 173.74 2k2j s PRO 95 N -4.97 3.96 0.71 8.23 0.04 -1.26 -4.73 135.00 136.98 2k2j s PRO 95 Ca 0.58 0.83 -0.08 0.00 0.04 0.00 0.00 61.00 62.37 2k2j s PRO 95 Cb -0.14 -2.24 0.05 0.00 0.04 0.00 0.00 34.50 32.21 2k2j s PRO 95 CO 0.53 -0.12 1.04 -1.25 0.04 0.00 0.00 177.00 177.24 2k2j s PRO 96 N -3.73 2.37 -0.01 0.56 0.04 -1.26 -4.61 135.00 128.35 2k2j s PRO 96 Ca 0.57 -0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.59 2k2j s PRO 96 Cb -0.10 -2.12 0.02 0.00 0.04 0.00 0.00 34.50 32.34 2k2j s PRO 96 CO 0.26 -1.19 0.01 0.08 0.04 0.00 0.00 177.00 176.20 2k2j s VAL 97 N -3.29 0.01 -0.05 -0.36 1.01 -1.03 -4.98 120.40 111.71 2k2j s VAL 97 Ca 0.59 0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.65 2k2j s VAL 97 Cb -0.11 -0.10 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 2k2j s VAL 97 CO 0.47 0.07 0.11 -1.61 0.00 0.00 0.00 175.10 174.14 2k2j s GLU 98 N 0.68 3.25 0.15 2.72 8.01 -1.26 -0.80 118.70 131.44 2k2j s GLU 98 Ca -0.06 -0.33 0.05 0.00 0.01 0.00 0.00 54.97 54.64 2k2j s GLU 98 Cb -0.09 -3.00 -0.04 0.00 -4.31 0.00 0.00 34.13 26.69 2k2j s GLU 98 CO -0.02 0.70 -0.11 -0.06 0.01 0.00 0.00 175.26 175.79 2k2j s PHE 99 N -1.12 1.31 0.03 1.61 0.40 -0.04 -2.09 117.98 118.07 2k2j s PHE 99 Ca 0.20 -0.71 -0.27 0.00 -0.60 0.00 0.00 56.93 55.55 2k2j s PHE 99 Cb -0.12 -0.66 0.07 0.00 0.51 0.00 0.00 43.02 42.81 2k2j s PHE 99 CO 0.10 0.11 0.62 0.00 0.70 0.00 0.00 175.22 176.75 2k2j s ALA 100 N -3.08 -1.63 0.00 5.36 0.00 -0.51 -1.98 121.76 119.92 2k2j s ALA 100 Ca 0.15 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.05 2k2j s ALA 100 Cb 0.01 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.46 2k2j s ALA 100 CO 0.01 -0.51 0.00 0.25 0.00 0.00 0.00 175.76 175.52 2k2j n THR 101 N 0.45 0.00 0.01 0.00 -2.24 -1.25 -3.00 114.28 108.25 2k2j n THR 101 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2k2j n THR 101 Cb 0.60 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 2k2j n THR 101 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2k2j n ASP 102 N -1.12 0.85 -3.96 3.42 9.92 -1.26 -4.93 116.55 119.46 2k2j n ASP 102 Ca 0.00 -0.93 -0.09 0.00 -0.53 0.00 0.00 54.79 53.24 2k2j n ASP 102 Cb 0.00 0.17 -0.07 0.00 -0.64 0.00 0.00 41.12 40.57 2k2j n ASP 102 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2k2j s ARG 103 N -0.19 1.06 0.14 -1.24 0.52 -1.26 -5.05 118.95 112.93 2k2j s ARG 103 Ca 0.00 -1.16 0.05 0.00 -0.52 0.00 0.00 55.73 54.09 2k2j s ARG 103 Cb 0.00 0.35 -0.10 0.00 0.52 0.00 0.00 34.95 35.73 2k2j s ARG 103 CO 0.00 -0.37 1.33 -0.24 0.02 0.00 0.00 175.30 176.04 2k2j h VAL 104 N 2.63 1.59 0.09 3.52 3.04 -1.99 -2.81 116.25 122.32 2k2j h VAL 104 Ca -0.33 -3.00 -0.00 0.00 -1.01 0.00 0.00 66.70 62.36 2k2j h VAL 104 Cb 1.22 2.67 0.00 0.00 -2.01 0.00 0.00 31.29 33.17 2k2j h VAL 104 CO 0.51 0.86 -0.04 -0.33 -1.01 0.00 0.00 177.57 177.56 2k2j h GLU 105 N 0.04 -0.12 -0.03 4.17 5.08 -1.99 -2.54 114.58 119.19 2k2j h GLU 105 Ca -0.04 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2k2j h GLU 105 Cb 1.65 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.92 2k2j h GLU 105 CO 0.14 0.36 0.03 0.93 -1.00 0.00 0.00 179.01 179.47 2k2j h GLU 106 N -0.68 0.00 0.41 2.33 4.39 -1.98 -0.72 114.58 118.33 2k2j h GLU 106 Ca -0.01 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2k2j h GLU 106 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2k2j h GLU 106 CO 0.02 0.00 -0.20 1.25 -1.16 0.00 0.00 179.01 178.92 2k2j h LEU 107 N 0.00 -0.47 -1.53 1.33 5.85 -1.39 -1.94 115.31 117.17 2k2j h LEU 107 Ca 0.01 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 2k2j h LEU 107 Cb 0.07 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2k2j h LEU 107 CO -0.00 -0.08 -0.24 0.15 -0.34 0.00 0.00 178.44 177.93 2k2j h PHE 108 N -0.95 0.00 0.30 1.25 3.57 -1.09 -1.09 116.94 118.92 2k2j h PHE 108 Ca -0.06 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 2k2j h PHE 108 Cb 0.56 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.30 2k2j h PHE 108 CO 0.02 0.24 -0.14 1.49 -2.23 0.00 0.00 178.31 177.69 2k2j h GLU 109 N 0.00 -0.39 -0.05 1.11 4.57 -1.14 -2.41 114.58 116.28 2k2j h GLU 109 Ca -0.00 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 2k2j h GLU 109 Cb 0.51 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.19 2k2j h GLU 109 CO 0.03 -0.14 -0.02 -1.49 -1.18 0.00 0.00 179.01 176.21 2k2j h TRP 110 N -1.05 0.11 -0.50 0.92 4.06 -1.37 -2.86 115.95 115.26 2k2j h TRP 110 Ca -0.04 -0.03 -0.06 0.00 2.06 0.00 0.00 58.89 60.82 2k2j h TRP 110 Cb 0.42 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 28.54 2k2j h TRP 110 CO 0.03 0.49 0.08 0.74 -3.56 0.00 0.00 178.44 176.21 2k2j h PHE 111 N -0.30 0.89 -0.69 0.49 0.04 -1.37 -1.45 116.94 114.55 2k2j h PHE 111 Ca 0.01 -0.13 0.03 0.00 2.80 0.00 0.00 57.97 60.68 2k2j h PHE 111 Cb 0.46 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 38.33 2k2j h PHE 111 CO 0.07 0.81 0.46 0.37 -0.60 0.00 0.00 178.31 179.42 2k2j h GLN 112 N 0.71 0.82 -0.43 1.51 -0.00 -1.50 -0.07 115.11 116.15 2k2j h GLN 112 Ca 0.15 -0.05 -0.07 0.00 -0.00 0.00 0.00 58.65 58.68 2k2j h GLN 112 Cb 0.41 -0.18 -0.02 0.00 0.00 0.00 0.00 27.48 27.69 2k2j h GLN 112 CO 0.01 0.54 -0.01 0.77 0.00 0.00 0.00 178.83 180.14 2k2j h SER 113 N 0.84 0.75 -0.31 -0.69 0.02 -1.21 0.15 113.55 113.10 2k2j h SER 113 Ca 0.27 -0.31 0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2k2j h SER 113 Cb 0.05 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 2k2j h SER 113 CO -0.07 0.88 0.21 0.40 -1.14 0.00 0.00 176.83 177.10 2k2j h ILE 114 N 0.60 1.04 0.00 3.27 2.04 -0.16 0.11 117.51 124.41 2k2j h ILE 114 Ca 0.12 -0.12 -0.16 0.00 1.00 0.00 0.00 64.86 65.70 2k2j h ILE 114 Cb 0.50 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 2k2j h ILE 114 CO 0.02 0.07 -0.77 0.03 0.00 0.00 0.00 178.15 177.50 2k2j h ARG 115 N 0.36 0.00 0.00 2.37 3.08 -0.45 -2.48 114.38 117.26 2k2j h ARG 115 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2k2j h ARG 115 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2k2j h ARG 115 CO -0.03 0.77 0.00 0.93 -1.07 0.00 0.00 179.97 180.57 2k2j h GLU 116 N 0.00 0.00 0.00 0.04 5.08 0.19 0.55 114.58 120.44 2k2j h GLU 116 Ca -0.01 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.02 2k2j h GLU 116 Cb 1.38 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.57 2k2j h GLU 116 CO 0.10 0.00 -2.24 -0.89 -1.00 0.00 0.00 179.01 174.98 2k2j n ILE 117 N -2.77 1.24 -0.03 3.13 5.41 -0.98 -4.36 119.36 121.01 2k2j n ILE 117 Ca -0.00 -0.72 -0.05 0.00 1.00 0.00 0.00 62.75 62.98 2k2j n ILE 117 Cb 0.18 -0.66 -0.02 0.00 -0.71 0.00 0.00 39.64 38.44 2k2j n ILE 117 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2k2j n THR 118 N -2.75 1.27 0.29 1.39 -2.24 -0.95 -4.60 114.28 106.70 2k2j n THR 118 Ca -0.31 0.26 0.18 0.00 -2.27 0.00 0.00 64.05 61.91 2k2j n THR 118 Cb 1.06 -1.97 0.98 0.00 -2.10 0.00 0.00 70.33 68.30 2k2j n THR 118 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 2k2j h TRP 119 N -0.53 0.00 -3.76 4.78 2.91 -0.36 -3.42 115.95 115.56 2k2j h TRP 119 Ca 0.00 0.00 -0.46 0.00 1.13 0.00 0.00 58.89 59.56 2k2j h TRP 119 Cb 0.53 0.00 0.12 0.00 -0.51 0.00 0.00 29.16 29.30 2k2j h TRP 119 CO -0.23 0.00 0.32 0.21 -1.03 0.00 0.00 178.44 177.71 2k2j s LYS 120 N -3.95 1.47 -0.06 2.65 2.47 0.14 -4.86 119.74 117.60 2k2j s LYS 120 Ca -0.04 -0.38 -0.05 0.00 -1.56 0.00 0.00 55.97 53.94 2k2j s LYS 120 Cb 0.10 -2.03 0.02 0.00 -1.46 0.00 0.00 37.83 34.46 2k2j s LYS 120 CO 0.33 -1.79 0.09 -0.89 0.16 0.00 0.00 175.35 173.25 2k2j n ILE 121 N -3.31-10.37 -2.02 5.43 5.41 -1.26 -4.93 119.36 108.31 2k2j n ILE 121 Ca 0.12 2.20 -0.11 0.00 1.00 0.00 0.00 62.75 65.96 2k2j n ILE 121 Cb 0.60 -5.51 0.06 0.00 -0.71 0.00 0.00 39.64 34.08 2k2j n ILE 121 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2k2j n ASP 122 N 1.30 0.38 0.05 4.38 9.92 -1.26 -4.97 116.55 126.34 2k2j n ASP 122 Ca -0.16 -1.38 0.11 0.00 -0.53 0.00 0.00 54.79 52.84 2k2j n ASP 122 Cb 0.24 -0.34 0.47 0.00 -0.64 0.00 0.00 41.12 40.85 2k2j n ASP 122 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 2k2j n THR 123 N -2.30 0.55 1.00 -3.53 5.66 -1.26 -5.27 114.28 109.12 2k2j n THR 123 Ca 0.07 0.05 0.08 0.00 -3.05 0.00 0.00 64.05 61.20 2k2j n THR 123 Cb 0.25 -0.77 0.47 0.00 -1.55 0.00 0.00 70.33 68.73 2k2j n THR 123 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31