#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2j s LYS 9 N 0.00 4.29 0.03 -1.58 2.47 -1.26 -5.06 119.74 118.63 2k2j s LYS 9 Ca 0.00 0.57 0.00 0.00 -1.56 0.00 0.00 55.97 54.99 2k2j s LYS 9 Cb 0.00 -3.51 -0.02 0.00 -1.46 0.00 0.00 37.83 32.84 2k2j s LYS 9 CO 0.00 -0.05 -0.04 -0.51 0.16 0.00 0.00 175.35 174.91 2k2j s ASP 10 N 0.94 0.39 -0.20 1.43 1.11 -1.26 -5.14 116.67 113.95 2k2j s ASP 10 Ca 0.28 -0.56 -0.02 0.00 0.18 0.00 0.00 52.55 52.43 2k2j s ASP 10 Cb -0.16 0.10 0.06 0.00 1.07 0.00 0.00 42.92 43.99 2k2j s ASP 10 CO 0.12 -0.31 0.02 -1.61 1.18 0.00 0.00 175.17 174.57 2k2j s GLU 11 N -1.73 0.79 0.14 8.23 2.02 -1.26 -4.98 118.70 121.91 2k2j s GLU 11 Ca -0.12 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.38 2k2j s GLU 11 Cb -0.08 -2.15 0.00 0.00 0.10 0.00 0.00 34.13 32.00 2k2j s GLU 11 CO -0.02 -0.63 0.00 0.72 0.02 0.00 0.00 175.26 175.36 2k2j n HIS 12 N 5.00 -1.12 -2.57 1.61 8.25 -1.26 -5.14 115.22 120.00 2k2j n HIS 12 Ca -0.09 0.20 -0.05 0.00 -0.26 0.00 0.00 57.72 57.51 2k2j n HIS 12 Cb 0.47 0.43 -0.04 0.00 1.12 0.00 0.00 29.99 31.96 2k2j n HIS 12 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2k2j n LYS 13 N -3.04 -4.74 -1.88 -0.41 5.02 -1.26 -4.77 118.16 107.07 2k2j n LYS 13 Ca 0.00 3.54 -0.38 0.00 -2.02 0.00 0.00 58.31 59.45 2k2j n LYS 13 Cb 0.00 -5.04 -0.03 0.00 -0.02 0.00 0.00 35.03 29.94 2k2j n LYS 13 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2k2j s GLN 14 N -0.66 2.52 -0.07 1.97 -1.52 -1.26 -4.79 119.66 115.86 2k2j s GLN 14 Ca -0.25 0.94 0.03 0.00 -1.95 0.00 0.00 55.36 54.13 2k2j s GLN 14 Cb 0.02 -4.44 0.00 0.00 -0.22 0.00 0.00 33.01 28.38 2k2j s GLN 14 CO 0.69 -2.83 -0.17 -0.65 -0.25 0.00 0.00 175.29 172.08 2k2j s GLN 15 N 7.31 2.07 0.00 2.91 -0.21 -1.26 -0.97 119.66 129.51 2k2j s GLN 15 Ca 0.78 -0.60 0.00 0.00 0.02 0.00 0.00 55.36 55.56 2k2j s GLN 15 Cb -0.15 -1.69 0.00 0.00 1.00 0.00 0.00 33.01 32.17 2k2j s GLN 15 CO 0.23 0.14 0.00 0.41 -2.12 0.00 0.00 175.29 173.96 2k2j n GLY 16 N 3.51 -0.73 3.01 3.09 0.00 -0.51 -4.98 105.19 108.58 2k2j n GLY 16 Ca -0.20 0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.04 0.98 0.14 1.61 2.02 -1.26 -1.13 118.70 121.02 2k2j s GLU 17 Ca 0.00 -0.31 -0.00 0.00 0.02 0.00 0.00 54.97 54.67 2k2j s GLU 17 Cb 0.00 -0.91 -0.04 0.00 0.10 0.00 0.00 34.13 33.28 2k2j s GLU 17 CO 0.00 0.12 0.04 -0.51 0.02 0.00 0.00 175.26 174.93 2k2j s LEU 18 N 0.18 1.86 -0.08 1.80 1.43 -0.56 -4.89 118.68 118.42 2k2j s LEU 18 Ca -0.03 -1.20 0.02 0.00 -1.03 0.00 0.00 54.13 51.89 2k2j s LEU 18 Cb -0.08 0.21 -0.03 0.00 0.03 0.00 0.00 46.19 46.32 2k2j s LEU 18 CO 0.00 -0.69 -0.11 -0.31 0.23 0.00 0.00 176.35 175.47 2k2j s TYR 19 N -3.96 2.82 0.04 0.29 1.51 -1.11 -1.51 117.35 115.44 2k2j s TYR 19 Ca 0.24 -0.18 0.04 0.00 -1.01 0.00 0.00 57.07 56.17 2k2j s TYR 19 Cb 0.07 -1.71 -0.02 0.00 -0.11 0.00 0.00 41.96 40.19 2k2j s TYR 19 CO 0.02 0.16 -0.13 -1.64 -1.11 0.00 0.00 175.55 172.86 2k2j s MET 20 N -0.52 0.82 0.07 -0.62 -1.94 -1.25 -1.62 119.30 114.24 2k2j s MET 20 Ca 0.07 -0.76 -0.31 0.00 -1.71 0.00 0.00 55.69 52.99 2k2j s MET 20 Cb -0.12 -0.80 -0.08 0.00 2.01 0.00 0.00 34.83 35.85 2k2j s MET 20 CO 0.02 0.19 1.59 -0.46 -0.01 0.00 0.00 175.02 176.34 2k2j s TRP 21 N -0.95 2.61 -0.47 -0.03 -0.00 -0.80 -4.03 118.94 115.28 2k2j s TRP 21 Ca -0.01 0.47 0.02 0.00 -0.00 0.00 0.00 56.10 56.58 2k2j s TRP 21 Cb -0.08 -3.89 0.12 0.00 -0.00 0.00 0.00 33.47 29.62 2k2j s TRP 21 CO 0.01 -3.50 0.23 -0.51 -0.00 0.00 0.00 176.95 173.18 2k2j s ASP 22 N 2.10 4.76 0.00 5.86 1.11 -1.01 -4.86 116.67 124.62 2k2j s ASP 22 Ca 0.71 -2.60 0.16 0.00 0.18 0.00 0.00 52.55 51.01 2k2j s ASP 22 Cb -0.39 -1.70 0.78 0.00 1.07 0.00 0.00 42.92 42.67 2k2j s ASP 22 CO 0.31 -0.35 1.47 -0.24 1.18 0.00 0.00 175.17 177.55 2k2j n SER 23 N 3.72 0.00 -0.26 0.27 2.88 -1.26 0.96 113.62 119.93 2k2j n SER 23 Ca 0.04 0.17 -0.06 0.00 -1.33 0.00 0.00 58.87 57.69 2k2j n SER 23 Cb 0.37 -0.34 0.05 0.00 -0.75 0.00 0.00 64.21 63.55 2k2j n SER 23 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2k2j h ILE 24 N 0.00 1.24 0.00 2.46 1.08 -1.95 -3.22 117.51 117.12 2k2j h ILE 24 Ca 0.00 -0.75 0.00 0.00 -0.39 0.00 0.00 64.86 63.72 2k2j h ILE 24 Cb 0.18 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 34.33 2k2j h ILE 24 CO 0.00 0.30 0.00 0.47 -0.69 0.00 0.00 178.15 178.23 2k2j n ASP 25 N -4.38 0.80 -3.24 1.72 9.92 -1.11 -5.05 116.55 115.21 2k2j n ASP 25 Ca 0.06 -1.00 -0.14 0.00 -0.53 0.00 0.00 54.79 53.18 2k2j n ASP 25 Cb 0.17 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.65 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 -0.00 -1.73 -3.84 -1.24 1.13 0.27 -5.02 117.38 106.95 2k2j n GLN 26 Ca 0.00 1.48 -0.02 0.00 -1.94 0.00 0.00 57.00 56.52 2k2j n GLN 26 Cb 0.05 -4.39 0.01 0.00 0.11 0.00 0.00 30.24 26.01 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 -3.26 1.08 -0.22 -1.09 -2.85 -0.94 -5.00 119.74 107.46 2k2j s LYS 27 Ca 0.12 -0.67 -0.09 0.00 -1.00 0.00 0.00 55.97 54.34 2k2j s LYS 27 Cb -0.02 0.32 -0.04 0.00 -2.06 0.00 0.00 37.83 36.02 2k2j s LYS 27 CO 0.81 -0.50 0.10 -1.58 0.10 0.00 0.00 175.35 174.28 2k2j s TRP 28 N -2.43 3.24 0.34 1.78 0.52 -1.26 -2.42 118.94 118.71 2k2j s TRP 28 Ca 0.20 0.03 0.10 0.00 0.02 0.00 0.00 56.10 56.44 2k2j s TRP 28 Cb -0.01 -2.19 -0.06 0.00 -1.15 0.00 0.00 33.47 30.06 2k2j s TRP 28 CO 0.03 0.01 -0.09 0.95 0.02 0.00 0.00 176.95 177.87 2k2j s THR 29 N 0.92 2.31 -0.15 2.01 -4.23 -1.26 -5.03 115.64 110.21 2k2j s THR 29 Ca 0.05 -2.19 -0.14 0.00 -1.18 0.00 0.00 61.69 58.23 2k2j s THR 29 Cb -0.13 -2.64 -0.05 0.00 1.34 0.00 0.00 72.50 71.01 2k2j s THR 29 CO 0.03 -0.22 0.32 -0.60 -0.54 0.00 0.00 174.62 173.61 2k2j s ARG 30 N -3.62 4.23 0.09 3.99 3.52 -1.26 -3.83 118.95 122.08 2k2j s ARG 30 Ca 0.33 0.15 0.06 0.00 -0.13 0.00 0.00 55.73 56.13 2k2j s ARG 30 Cb 0.02 -3.41 -0.03 0.00 -1.56 0.00 0.00 34.95 29.96 2k2j s ARG 30 CO 0.17 0.26 -0.15 -1.01 -0.81 0.00 0.00 175.30 173.75 2k2j s HIS 31 N 0.39 1.37 -0.70 5.12 3.76 -0.57 -3.82 115.29 120.84 2k2j s HIS 31 Ca 0.18 -0.48 -0.17 0.00 -0.15 0.00 0.00 55.06 54.43 2k2j s HIS 31 Cb -0.13 -0.75 0.14 0.00 1.11 0.00 0.00 32.58 32.94 2k2j s HIS 31 CO 0.05 0.11 0.77 -0.47 -0.85 0.00 0.00 174.74 174.35 2k2j s TYR 32 N -1.51 3.23 0.51 1.40 5.04 -1.24 -1.50 117.35 123.27 2k2j s TYR 32 Ca 0.03 -1.32 -0.05 0.00 -2.44 0.00 0.00 57.07 53.28 2k2j s TYR 32 Cb -0.08 -3.99 -0.03 0.00 0.35 0.00 0.00 41.96 38.21 2k2j s TYR 32 CO 0.03 -1.23 0.81 0.00 -1.34 0.00 0.00 175.55 173.82 2k2j s ALA 34 N -2.80 -2.75 -0.46 0.00 0.00 -0.76 -1.43 121.76 113.56 2k2j s ALA 34 Ca 0.49 1.94 -0.23 0.00 0.00 0.00 0.00 51.96 54.16 2k2j s ALA 34 Cb -0.10 -2.13 0.03 0.00 0.00 0.00 0.00 23.12 20.92 2k2j s ALA 34 CO 0.45 -1.08 0.79 0.42 0.00 0.00 0.00 175.76 176.34 2k2j s ILE 35 N 2.62 4.64 -0.20 0.00 1.01 -0.14 -1.47 121.20 127.65 2k2j s ILE 35 Ca -0.00 0.40 -0.08 0.00 0.00 0.00 0.00 60.65 60.97 2k2j s ILE 35 Cb -0.08 -4.34 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 2k2j s ILE 35 CO -0.17 -0.75 0.07 0.00 0.00 0.00 0.00 174.94 174.10 2k2j s ALA 36 N 3.32 3.36 0.00 9.38 0.00 0.46 -4.23 121.76 134.05 2k2j s ALA 36 Ca 0.30 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.40 2k2j s ALA 36 Cb -0.12 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.01 2k2j s ALA 36 CO 0.22 -0.02 0.00 -3.47 0.00 0.00 0.00 175.76 172.49 2k2j n ASP 37 N 3.95 0.00 0.00 0.00 2.03 -1.26 -1.11 116.55 120.16 2k2j n ASP 37 Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 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 3.71 0.07 -2.74 -1.67 0.00 -1.26 -5.09 120.51 113.53 2k2j n ALA 38 Ca 0.00 -0.01 -0.28 0.00 0.00 0.00 0.00 53.44 53.15 2k2j n ALA 38 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.02 2.69 -0.28 0.00 1.02 -0.26 -4.04 119.74 118.85 2k2j s LYS 39 Ca 0.00 -0.89 -0.07 0.00 0.02 0.00 0.00 55.97 55.03 2k2j s LYS 39 Cb 0.00 -2.57 -0.00 0.00 -0.52 0.00 0.00 37.83 34.74 2k2j s LYS 39 CO 0.00 0.51 0.08 -1.17 -0.92 0.00 0.00 175.35 173.85 2k2j s LEU 40 N -2.75 3.74 -0.28 3.17 2.96 -1.07 -0.41 118.68 124.05 2k2j s LEU 40 Ca 0.29 -0.56 -0.08 0.00 -0.22 0.00 0.00 54.13 53.56 2k2j s LEU 40 Cb -0.11 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 2k2j s LEU 40 CO 0.21 -0.15 0.10 -0.44 -1.32 0.00 0.00 176.35 174.75 2k2j s SER 41 N 1.54 5.25 -0.14 3.68 0.01 -0.54 0.28 113.70 123.78 2k2j s SER 41 Ca 0.04 -0.41 -0.10 0.00 1.31 0.00 0.00 55.95 56.79 2k2j s SER 41 Cb -0.17 -1.94 -0.05 0.00 0.21 0.00 0.00 66.02 64.08 2k2j s SER 41 CO 0.03 -0.12 0.18 0.72 0.41 0.00 0.00 173.24 174.46 2k2j s PHE 42 N 1.59 3.54 0.37 2.43 -0.71 0.02 -1.83 117.98 123.39 2k2j s PHE 42 Ca 0.05 0.52 0.02 0.00 -1.04 0.00 0.00 56.93 56.48 2k2j s PHE 42 Cb -0.16 -2.09 -0.02 0.00 -1.21 0.00 0.00 43.02 39.54 2k2j s PHE 42 CO 0.04 0.53 0.55 0.45 -1.34 0.00 0.00 175.22 175.46 2k2j s SER 43 N -0.42 6.07 0.98 1.98 0.15 -0.46 -0.52 113.70 121.48 2k2j s SER 43 Ca 0.14 0.23 -0.12 0.00 0.70 0.00 0.00 55.95 56.90 2k2j s SER 43 Cb -0.12 -1.69 0.18 0.00 -1.71 0.00 0.00 66.02 62.68 2k2j s SER 43 CO 0.03 -0.44 1.08 1.51 1.20 0.00 0.00 173.24 176.63 2k2j s ASP 44 N -4.12 2.67 0.67 5.45 -4.77 -1.26 -3.70 116.67 111.61 2k2j s ASP 44 Ca 0.43 1.60 -0.17 0.00 -3.30 0.00 0.00 52.55 51.12 2k2j s ASP 44 Cb -0.10 -2.26 -0.07 0.00 -1.09 0.00 0.00 42.92 39.40 2k2j s ASP 44 CO 0.35 -3.16 0.37 0.47 0.70 0.00 0.00 175.17 173.90 2k2j n ASP 45 N -4.24 -1.74 -0.01 2.11 8.00 -1.26 -4.35 116.55 115.07 2k2j n ASP 45 Ca 0.07 0.61 0.01 0.00 0.71 0.00 0.00 54.79 56.19 2k2j n ASP 45 Cb 0.54 -1.13 -0.04 0.00 -0.02 0.00 0.00 41.12 40.47 2k2j n ASP 45 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2k2j n ILE 46 N -2.11 0.11 0.00 0.53 -5.35 -1.25 -4.61 119.36 106.68 2k2j n ILE 46 Ca 0.09 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 2k2j n ILE 46 Cb 0.49 -0.03 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 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 -1.84 2.24 -1.46 6.28 0.28 -1.26 -4.78 120.64 120.09 2k2j n GLU 47 Ca -0.03 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.68 2k2j n GLU 47 Cb 0.31 -0.82 0.08 0.00 1.43 0.00 0.00 31.44 32.44 2k2j n GLU 47 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2k2j n GLN 48 N -1.53 2.82 -1.70 3.44 6.02 -1.26 -5.03 117.38 120.13 2k2j n GLN 48 Ca 0.00 -3.49 -0.42 0.00 -0.01 0.00 0.00 57.00 53.08 2k2j n GLN 48 Cb 0.32 -2.24 -0.00 0.00 1.02 0.00 0.00 30.24 29.34 2k2j n GLN 48 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2k2j n THR 49 N -0.90 2.18 0.04 5.09 -2.24 -1.26 -4.89 114.28 112.30 2k2j n THR 49 Ca 0.55 -0.50 0.09 0.00 -2.27 0.00 0.00 64.05 61.93 2k2j n THR 49 Cb 0.86 -1.58 0.27 0.00 -2.10 0.00 0.00 70.33 67.79 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 0.38 2.51 -1.70 -0.78 2.81 -1.26 -4.96 117.12 114.12 2k2j n MET 50 Ca 0.05 -2.20 -0.43 0.00 -1.81 0.00 0.00 57.70 53.31 2k2j n MET 50 Cb 0.37 -1.51 -0.03 0.00 -0.71 0.00 0.00 33.22 31.34 2k2j n MET 50 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2k2j n GLU 51 N 1.22 2.62 0.13 0.03 1.02 -1.26 -4.94 120.64 119.46 2k2j n GLU 51 Ca 0.20 0.95 -0.05 0.00 -0.02 0.00 0.00 57.16 58.24 2k2j n GLU 51 Cb 0.54 -2.78 -0.03 0.00 -0.02 0.00 0.00 31.44 29.16 2k2j n GLU 51 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2k2j h GLU 52 N 6.83 -0.34 -0.25 3.49 4.81 -2.02 -3.37 114.58 123.73 2k2j h GLU 52 Ca -0.44 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 2k2j h GLU 52 Cb 1.22 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.67 2k2j h GLU 52 CO 0.94 -0.23 0.00 -0.25 -0.73 0.00 0.00 179.01 178.74 2k2j n ASP 53 N -3.63 3.14 -3.27 1.04 8.00 -1.26 -5.01 116.55 115.57 2k2j n ASP 53 Ca -0.04 -2.48 -0.10 0.00 0.71 0.00 0.00 54.79 52.88 2k2j n ASP 53 Cb 0.14 -0.34 0.02 0.00 -0.02 0.00 0.00 41.12 40.92 2k2j n ASP 53 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2k2j n ASN 54 N -0.14 -6.89 0.26 -2.24 4.13 -1.26 -4.96 115.26 104.15 2k2j n ASN 54 Ca 0.14 -0.44 -0.13 0.00 1.68 0.00 0.00 54.58 55.83 2k2j n ASN 54 Cb 0.60 -4.62 -0.07 0.00 -1.54 0.00 0.00 39.78 34.15 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 -0.28 -0.67 -1.88 3.52 0.11 -1.94 -3.47 132.00 127.39 2k2j h PRO 55 Ca -0.30 0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 2k2j h PRO 55 Cb 1.16 0.15 -0.23 0.00 0.11 0.00 0.00 31.00 32.20 2k2j h PRO 55 CO 0.36 -0.38 0.23 -1.17 -0.21 0.00 0.00 178.00 176.83 2k2j s LEU 56 N -9.42 -0.66 -0.43 2.35 2.96 -1.26 -5.11 118.68 107.12 2k2j s LEU 56 Ca -0.13 1.26 0.07 0.00 -0.22 0.00 0.00 54.13 55.11 2k2j s LEU 56 Cb 0.01 2.29 0.23 0.00 0.50 0.00 0.00 46.19 49.22 2k2j s LEU 56 CO 0.41 -0.22 0.50 0.61 -1.32 0.00 0.00 176.35 176.34 2k2j n GLY 57 N 2.52 2.94 3.84 7.98 0.00 -1.26 -5.11 105.19 116.10 2k2j n GLY 57 Ca -0.14 -1.67 -0.31 0.00 0.00 0.00 0.00 46.02 43.90 2k2j n GLY 57 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k2j s SER 58 N -1.06 5.88 0.96 1.61 0.15 -1.26 -5.03 113.70 114.94 2k2j s SER 58 Ca 0.35 1.56 -0.11 0.00 0.70 0.00 0.00 55.95 58.45 2k2j s SER 58 Cb 0.13 -2.49 0.17 0.00 -1.71 0.00 0.00 66.02 62.12 2k2j s SER 58 CO -0.12 -1.11 1.10 -0.22 1.20 0.00 0.00 173.24 174.10 2k2j s LEU 59 N -5.12 2.27 -0.20 3.45 1.98 -1.26 -4.61 118.68 115.19 2k2j s LEU 59 Ca 0.58 1.87 -0.10 0.00 -2.89 0.00 0.00 54.13 53.58 2k2j s LEU 59 Cb -0.13 -4.17 0.04 0.00 0.66 0.00 0.00 46.19 42.59 2k2j s LEU 59 CO 0.50 -3.18 0.21 0.00 -1.89 0.00 0.00 176.35 171.99 2k2j n ARG 61 N 1.50 0.65 -3.55 0.00 3.00 0.32 -4.87 116.66 113.70 2k2j n ARG 61 Ca -0.35 0.21 -0.10 0.00 -0.00 0.00 0.00 57.85 57.60 2k2j n ARG 61 Cb 0.55 -1.72 -0.04 0.00 0.00 0.00 0.00 32.46 31.25 2k2j n ARG 61 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2k2j s GLY 62 N -5.19 -0.35 -0.01 5.14 0.00 -0.49 -4.96 107.32 101.45 2k2j s GLY 62 Ca -0.06 1.66 0.03 0.00 0.00 0.00 0.00 44.72 46.35 2k2j s GLY 62 CO 0.83 0.80 -0.06 -0.42 0.00 0.00 0.00 173.10 174.25 2k2j s ILE 63 N -1.76 3.70 -0.53 0.90 1.01 -1.26 -0.79 121.20 122.47 2k2j s ILE 63 Ca -0.00 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.93 2k2j s ILE 63 Cb -0.01 -2.60 0.14 0.00 0.01 0.00 0.00 42.46 40.00 2k2j s ILE 63 CO -0.01 0.42 0.30 -0.22 0.00 0.00 0.00 174.94 175.43 2k2j s LEU 64 N -1.34 4.91 -0.66 2.97 1.98 0.14 -4.98 118.68 121.70 2k2j s LEU 64 Ca 0.17 -2.69 -0.26 0.00 -2.89 0.00 0.00 54.13 48.45 2k2j s LEU 64 Cb -0.11 -1.76 -0.12 0.00 0.66 0.00 0.00 46.19 44.86 2k2j s LEU 64 CO 0.07 -0.36 2.46 -0.90 -1.89 0.00 0.00 176.35 175.73 2k2j n ASP 65 N 3.64 1.67 -0.60 3.68 5.68 -1.26 -2.60 116.55 126.76 2k2j n ASP 65 Ca 0.05 -0.53 0.00 0.00 -0.50 0.00 0.00 54.79 53.81 2k2j n ASP 65 Cb 0.37 -1.42 0.00 0.00 -1.14 0.00 0.00 41.12 38.93 2k2j n ASP 65 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2k2j n LEU 66 N 14.85 1.00 -0.00 -2.12 4.77 -1.26 -2.56 117.00 131.68 2k2j n LEU 66 Ca 0.46 -0.50 0.07 0.00 -0.03 0.00 0.00 56.01 56.00 2k2j n LEU 66 Cb 0.41 -0.35 -0.09 0.00 -2.33 0.00 0.00 43.42 41.06 2k2j n LEU 66 CO 0.75 0.21 -0.23 0.59 -1.33 0.00 0.00 177.39 177.38 2k2j n ASN 67 N 0.25 1.01 -3.18 -1.43 5.03 -1.26 -3.56 115.26 112.11 2k2j n ASN 67 Ca 0.00 -0.56 -0.20 0.00 0.87 0.00 0.00 54.58 54.69 2k2j n ASN 67 Cb 0.21 1.20 -0.04 0.00 -1.02 0.00 0.00 39.78 40.13 2k2j n ASN 67 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2k2j n THR 68 N -1.53 -0.17 -3.96 3.41 -2.24 -1.06 -5.01 114.28 103.73 2k2j n THR 68 Ca 0.01 -4.47 -0.09 0.00 -2.27 0.00 0.00 64.05 57.23 2k2j n THR 68 Cb 0.26 -0.82 -0.04 0.00 -2.10 0.00 0.00 70.33 67.63 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 -2.11 0.29 -0.03 4.78 2.02 -1.26 -0.78 117.35 120.26 2k2j s TYR 69 Ca 0.39 -0.69 0.01 0.00 -0.37 0.00 0.00 57.07 56.41 2k2j s TYR 69 Cb 0.29 0.33 0.02 0.00 -0.40 0.00 0.00 41.96 42.21 2k2j s TYR 69 CO -0.09 -1.11 -0.01 -0.80 -1.57 0.00 0.00 175.55 171.97 2k2j s ASN 70 N -3.02 0.44 -0.17 2.29 0.01 0.84 -4.65 114.94 110.68 2k2j s ASN 70 Ca 0.20 -0.04 -0.14 0.00 -0.71 0.00 0.00 52.86 52.18 2k2j s ASN 70 Cb -0.02 -0.21 -0.05 0.00 0.41 0.00 0.00 41.25 41.38 2k2j s ASN 70 CO 0.10 -0.08 0.29 -0.69 -1.51 0.00 0.00 177.10 175.21 2k2j s VAL 71 N 0.86 5.31 -0.07 1.60 1.01 -1.26 -0.35 120.40 127.49 2k2j s VAL 71 Ca -0.09 0.53 -0.01 0.00 0.00 0.00 0.00 61.98 62.41 2k2j s VAL 71 Cb -0.12 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.66 2k2j s VAL 71 CO -0.01 0.38 -0.01 0.68 0.00 0.00 0.00 175.10 176.14 2k2j s VAL 72 N 0.52 0.46 -0.54 2.92 -7.23 -0.72 -4.97 120.40 110.84 2k2j s VAL 72 Ca 0.16 0.06 -0.28 0.00 -1.81 0.00 0.00 61.98 60.11 2k2j s VAL 72 Cb -0.13 -0.59 0.01 0.00 0.56 0.00 0.00 36.38 36.22 2k2j s VAL 72 CO 0.04 0.27 1.49 -0.75 -0.31 0.00 0.00 175.10 175.83 2k2j s LYS 73 N 1.86 3.24 -0.21 4.82 2.20 -1.26 -1.30 119.74 129.09 2k2j s LYS 73 Ca 0.04 0.56 -0.26 0.00 -0.36 0.00 0.00 55.97 55.94 2k2j s LYS 73 Cb -0.12 -4.15 -0.00 0.00 -1.51 0.00 0.00 37.83 32.04 2k2j s LYS 73 CO -0.05 -2.00 0.90 0.00 -0.36 0.00 0.00 175.35 173.83 2k2j s ALA 74 N 6.41 3.61 0.61 3.13 0.00 0.26 -4.98 121.76 130.81 2k2j s ALA 74 Ca 0.56 0.02 -0.12 0.00 0.00 0.00 0.00 51.96 52.42 2k2j s ALA 74 Cb -0.12 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 2k2j s ALA 74 CO 0.25 -0.87 1.03 -1.25 0.00 0.00 0.00 175.76 174.92 2k2j s PRO 75 N 2.72 3.49 -0.21 0.00 0.04 -1.26 -2.74 135.00 137.04 2k2j s PRO 75 Ca 0.39 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.30 2k2j s PRO 75 Cb -0.16 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.32 2k2j s PRO 75 CO 0.09 -0.65 0.00 1.04 0.04 0.00 0.00 177.00 177.52 2k2j n GLN 76 N -2.55 -1.94 -0.41 4.56 6.02 -1.11 -4.70 117.38 117.24 2k2j n GLN 76 Ca 0.07 0.54 0.06 0.00 -0.01 0.00 0.00 57.00 57.65 2k2j n GLN 76 Cb 0.54 -4.91 -0.01 0.00 1.02 0.00 0.00 30.24 26.87 2k2j n GLN 76 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k2j n GLY 77 N 0.80 -1.15 3.07 1.08 0.00 0.11 -4.13 105.19 104.97 2k2j n GLY 77 Ca -0.02 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 2k2j n GLY 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k2j s LYS 78 N -0.64 0.55 0.07 1.61 2.20 -1.24 -4.81 119.74 117.47 2k2j s LYS 78 Ca 0.00 -0.84 0.00 0.00 -0.36 0.00 0.00 55.97 54.77 2k2j s LYS 78 Cb 0.00 -0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.12 2k2j s LYS 78 CO 0.00 0.02 0.00 0.09 -0.36 0.00 0.00 175.35 175.10 2k2j n ASN 79 N 1.20 0.00 -0.40 1.43 3.02 -1.26 -1.44 115.26 117.81 2k2j n ASN 79 Ca -0.21 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 2k2j n ASN 79 Cb 0.56 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 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 0.00 0.00 -3.44 3.52 6.02 -1.26 -5.11 117.38 117.10 2k2j n GLN 80 Ca 0.00 -0.75 -0.22 0.00 -0.01 0.00 0.00 57.00 56.03 2k2j n GLN 80 Cb 0.00 -0.42 0.01 0.00 1.02 0.00 0.00 30.24 30.85 2k2j n GLN 80 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2k2j s LYS 81 N 0.00 2.42 0.00 -1.09 -0.14 -0.52 -5.05 119.74 115.36 2k2j s LYS 81 Ca 0.00 -1.68 0.00 0.00 -1.36 0.00 0.00 55.97 52.93 2k2j s LYS 81 Cb 0.00 -2.42 0.00 0.00 -1.68 0.00 0.00 37.83 33.73 2k2j s LYS 81 CO 0.00 -0.52 0.00 -1.13 -0.76 0.00 0.00 175.35 172.94 2k2j n SER 82 N -1.85 4.88 -3.86 2.83 3.41 -1.26 -3.64 113.62 114.14 2k2j n SER 82 Ca 0.06 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.37 2k2j n SER 82 Cb 0.62 0.67 -0.15 0.00 -0.26 0.00 0.00 64.21 65.09 2k2j n SER 82 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2k2j s PHE 83 N -1.97 2.47 0.05 7.33 0.08 -1.26 0.04 117.98 124.72 2k2j s PHE 83 Ca 0.00 -2.13 0.05 0.00 0.12 0.00 0.00 56.93 54.97 2k2j s PHE 83 Cb 0.00 -2.07 -0.02 0.00 -0.57 0.00 0.00 43.02 40.36 2k2j s PHE 83 CO 0.00 -0.88 -0.14 0.08 -0.10 0.00 0.00 175.22 174.18 2k2j s VAL 84 N 1.35 1.14 0.13 -0.44 1.01 -1.11 -3.95 120.40 118.53 2k2j s VAL 84 Ca 0.07 -1.14 0.09 0.00 0.00 0.00 0.00 61.98 61.01 2k2j s VAL 84 Cb -0.18 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 2k2j s VAL 84 CO -0.16 -0.08 -0.22 -0.36 0.00 0.00 0.00 175.10 174.28 2k2j s PHE 85 N -1.02 1.92 -0.04 5.22 0.40 -1.02 0.93 117.98 124.38 2k2j s PHE 85 Ca 0.00 -0.42 0.04 0.00 -0.60 0.00 0.00 56.93 55.95 2k2j s PHE 85 Cb -0.09 -1.03 0.00 0.00 0.51 0.00 0.00 43.02 42.42 2k2j s PHE 85 CO 0.02 0.27 -0.14 0.42 0.70 0.00 0.00 175.22 176.49 2k2j s ILE 86 N -1.35 1.19 -0.21 0.64 1.01 -0.42 -1.04 121.20 121.03 2k2j s ILE 86 Ca 0.11 -0.58 -0.12 0.00 0.00 0.00 0.00 60.65 60.05 2k2j s ILE 86 Cb -0.09 -1.04 -0.05 0.00 0.01 0.00 0.00 42.46 41.29 2k2j s ILE 86 CO 0.05 0.35 0.24 -0.76 0.00 0.00 0.00 174.94 174.83 2k2j s LEU 87 N 0.15 4.16 -0.30 2.97 1.43 -0.29 -1.75 118.68 125.05 2k2j s LEU 87 Ca -0.05 0.31 -0.03 0.00 -1.03 0.00 0.00 54.13 53.33 2k2j s LEU 87 Cb -0.11 -2.26 0.04 0.00 0.03 0.00 0.00 46.19 43.90 2k2j s LEU 87 CO 0.02 0.05 0.02 -1.61 0.23 0.00 0.00 176.35 175.06 2k2j s GLU 88 N 0.91 2.52 0.60 1.70 2.02 0.53 -2.41 118.70 124.56 2k2j s GLU 88 Ca 0.12 -1.21 -0.19 0.00 0.02 0.00 0.00 54.97 53.71 2k2j s GLU 88 Cb -0.13 -3.22 -0.04 0.00 0.10 0.00 0.00 34.13 30.83 2k2j s GLU 88 CO 0.04 -0.60 1.04 -0.35 0.02 0.00 0.00 175.26 175.41 2k2j n PRO 89 N 4.67 0.98 -0.02 0.39 -0.04 -1.26 -0.11 135.00 139.61 2k2j n PRO 89 Ca -0.13 0.38 0.02 0.00 -0.04 0.00 0.00 63.50 63.73 2k2j n PRO 89 Cb 0.44 -2.25 0.03 0.00 -0.04 0.00 0.00 33.50 31.69 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 -1.13 0.76 0.21 0.54 5.02 0.04 -4.75 118.16 118.84 2k2j n LYS 90 Ca 0.14 -1.09 -0.08 0.00 -2.02 0.00 0.00 58.31 55.26 2k2j n LYS 90 Cb 0.47 -1.09 -0.04 0.00 -0.02 0.00 0.00 35.03 34.35 2k2j n LYS 90 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2k2j h GLN 91 N 0.81 -0.53 0.00 1.97 4.20 -1.92 -3.49 115.11 116.15 2k2j h GLN 91 Ca 0.00 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2k2j h GLN 91 Cb 0.32 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.22 2k2j h GLN 91 CO 0.00 -0.35 0.00 0.00 -0.67 0.00 0.00 178.83 177.81 2k2j n GLN 92 N -4.01 0.00 -0.25 1.46 10.64 -1.26 -5.00 117.38 118.96 2k2j n GLN 92 Ca -0.07 0.00 0.08 0.00 -1.83 0.00 0.00 57.00 55.18 2k2j n GLN 92 Cb 0.22 0.00 0.13 0.00 -0.86 0.00 0.00 30.24 29.73 2k2j n GLN 92 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2k2j n GLY 93 N 0.00 4.36 3.46 2.61 0.00 -1.26 -5.06 105.19 109.30 2k2j n GLY 93 Ca 0.00 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 2k2j n GLY 93 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k2j n ASP 94 N -1.18 -1.56 -4.85 1.61 9.92 -1.26 -4.98 116.55 114.26 2k2j n ASP 94 Ca 0.15 0.38 -0.32 0.00 -0.53 0.00 0.00 54.79 54.47 2k2j n ASP 94 Cb 0.67 -1.25 -0.04 0.00 -0.64 0.00 0.00 41.12 39.85 2k2j n ASP 94 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2k2j s PRO 95 N -3.69 3.96 0.70 -0.24 0.04 -1.26 -4.72 135.00 129.79 2k2j s PRO 95 Ca 0.60 0.84 -0.08 0.00 0.04 0.00 0.00 61.00 62.40 2k2j s PRO 95 Cb -0.23 -2.23 0.05 0.00 0.04 0.00 0.00 34.50 32.12 2k2j s PRO 95 CO 0.65 -0.13 1.03 -1.25 0.04 0.00 0.00 177.00 177.33 2k2j s PRO 96 N -3.76 2.39 -0.04 0.56 0.04 -1.26 -4.61 135.00 128.33 2k2j s PRO 96 Ca 0.57 -0.04 -0.00 0.00 0.04 0.00 0.00 61.00 61.57 2k2j s PRO 96 Cb -0.10 -2.13 0.03 0.00 0.04 0.00 0.00 34.50 32.34 2k2j s PRO 96 CO 0.27 -1.16 -0.00 0.08 0.04 0.00 0.00 177.00 176.22 2k2j s VAL 97 N -3.27 0.24 0.01 -0.36 1.01 -1.01 -4.97 120.40 112.05 2k2j s VAL 97 Ca 0.59 0.09 -0.09 0.00 0.00 0.00 0.00 61.98 62.57 2k2j s VAL 97 Cb -0.11 -0.35 -0.05 0.00 0.00 0.00 0.00 36.38 35.87 2k2j s VAL 97 CO 0.46 0.18 0.31 -1.61 0.00 0.00 0.00 175.10 174.44 2k2j s GLU 98 N 1.27 3.66 0.19 2.72 8.01 -1.26 -1.14 118.70 132.15 2k2j s GLU 98 Ca -0.06 0.05 0.04 0.00 0.01 0.00 0.00 54.97 55.02 2k2j s GLU 98 Cb -0.13 -3.09 -0.05 0.00 -4.31 0.00 0.00 34.13 26.55 2k2j s GLU 98 CO -0.02 0.64 -0.06 -0.06 0.01 0.00 0.00 175.26 175.78 2k2j s PHE 99 N -1.27 1.45 0.06 1.61 0.40 -0.21 -1.90 117.98 118.13 2k2j s PHE 99 Ca 0.27 -0.82 -0.26 0.00 -0.60 0.00 0.00 56.93 55.53 2k2j s PHE 99 Cb -0.14 -0.79 0.07 0.00 0.51 0.00 0.00 43.02 42.67 2k2j s PHE 99 CO 0.15 0.05 0.61 0.00 0.70 0.00 0.00 175.22 176.73 2k2j s ALA 100 N -3.34 -1.58 0.42 5.36 0.00 -0.64 -2.43 121.76 119.55 2k2j s ALA 100 Ca 0.23 0.80 0.04 0.00 0.00 0.00 0.00 51.96 53.03 2k2j s ALA 100 Cb 0.04 0.46 -0.02 0.00 0.00 0.00 0.00 23.12 23.59 2k2j s ALA 100 CO 0.05 -0.57 0.14 0.95 0.00 0.00 0.00 175.76 176.34 2k2j s THR 101 N -2.55 0.52 -0.54 0.00 -4.23 -1.25 -2.76 115.64 104.83 2k2j s THR 101 Ca -0.05 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.52 2k2j s THR 101 Cb -0.01 -2.29 0.10 0.00 1.34 0.00 0.00 72.50 71.64 2k2j s THR 101 CO -0.02 0.00 0.92 0.47 -0.54 0.00 0.00 174.62 175.45 2k2j n ASP 102 N -1.43 2.00 -3.90 3.99 8.00 -1.26 -4.88 116.55 119.07 2k2j n ASP 102 Ca -0.06 -1.66 -0.09 0.00 0.71 0.00 0.00 54.79 53.69 2k2j n ASP 102 Cb 0.65 -0.06 -0.09 0.00 -0.02 0.00 0.00 41.12 41.60 2k2j n ASP 102 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2k2j s ARG 103 N -0.75 0.66 0.16 -1.24 0.52 -1.26 -5.05 118.95 111.99 2k2j s ARG 103 Ca 0.09 -0.78 0.08 0.00 -0.52 0.00 0.00 55.73 54.59 2k2j s ARG 103 Cb 0.05 0.26 -0.06 0.00 0.52 0.00 0.00 34.95 35.72 2k2j s ARG 103 CO 0.07 -0.18 1.37 -0.24 0.02 0.00 0.00 175.30 176.34 2k2j h VAL 104 N 3.43 1.64 0.07 3.52 3.04 -1.99 -2.88 116.25 123.08 2k2j h VAL 104 Ca -0.33 -3.07 -0.00 0.00 -1.01 0.00 0.00 66.70 62.29 2k2j h VAL 104 Cb 1.19 2.66 0.00 0.00 -2.01 0.00 0.00 31.29 33.13 2k2j h VAL 104 CO 0.52 0.88 -0.04 -0.33 -1.01 0.00 0.00 177.57 177.59 2k2j h GLU 105 N 0.00 -0.10 -0.04 4.17 4.39 -1.99 -2.63 114.58 118.39 2k2j h GLU 105 Ca -0.01 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.71 2k2j h GLU 105 Cb 1.59 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 30.26 2k2j h GLU 105 CO 0.12 0.40 0.04 0.93 -1.16 0.00 0.00 179.01 179.33 2k2j h GLU 106 N -0.65 0.00 0.48 2.33 4.39 -1.99 0.68 114.58 119.82 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 -0.23 1.25 -1.16 0.00 0.00 179.01 178.89 2k2j h LEU 107 N 0.00 -0.54 -1.36 1.33 5.85 -1.40 -0.81 115.31 118.38 2k2j h LEU 107 Ca 0.02 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 2k2j h LEU 107 Cb 0.09 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2k2j h LEU 107 CO -0.00 -0.18 -0.30 0.15 -0.34 0.00 0.00 178.44 177.78 2k2j h PHE 108 N -0.96 0.00 0.31 1.25 3.57 -1.09 -1.02 116.94 119.00 2k2j h PHE 108 Ca -0.07 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 2k2j h PHE 108 Cb 0.59 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.33 2k2j h PHE 108 CO 0.01 0.30 -0.15 1.49 -2.23 0.00 0.00 178.31 177.73 2k2j h GLU 109 N 0.00 -0.40 -0.02 1.11 4.81 -0.84 -2.48 114.58 116.77 2k2j h GLU 109 Ca -0.00 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2k2j h GLU 109 Cb 0.62 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.09 2k2j h GLU 109 CO 0.04 -0.15 -0.02 -1.49 -0.73 0.00 0.00 179.01 176.66 2k2j h TRP 110 N -1.04 0.06 -0.25 0.92 4.06 -1.18 -2.85 115.95 115.66 2k2j h TRP 110 Ca -0.04 -0.02 -0.04 0.00 2.06 0.00 0.00 58.89 60.85 2k2j h TRP 110 Cb 0.43 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.57 2k2j h TRP 110 CO 0.03 0.52 -0.00 0.74 -3.56 0.00 0.00 178.44 176.17 2k2j h PHE 111 N -0.43 0.49 -0.85 0.49 0.04 -1.35 -0.80 116.94 114.53 2k2j h PHE 111 Ca 0.00 -0.09 0.04 0.00 2.80 0.00 0.00 57.97 60.72 2k2j h PHE 111 Cb 0.51 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 38.49 2k2j h PHE 111 CO 0.09 0.61 0.56 0.37 -0.60 0.00 0.00 178.31 179.34 2k2j h GLN 112 N 0.23 1.02 -0.07 1.51 5.75 -1.55 -1.27 115.11 120.72 2k2j h GLN 112 Ca 0.07 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 2k2j h GLN 112 Cb 0.42 -0.23 -0.00 0.00 1.07 0.00 0.00 27.48 28.74 2k2j h GLN 112 CO 0.01 0.67 -0.01 1.03 -2.65 0.00 0.00 178.83 177.89 2k2j h SER 113 N 1.05 0.14 -0.86 -0.69 0.87 -1.27 0.22 113.55 113.00 2k2j h SER 113 Ca 0.34 -0.34 0.18 0.00 -1.23 0.00 0.00 61.79 60.74 2k2j h SER 113 Cb 0.04 -0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 61.90 2k2j h SER 113 CO -0.10 0.44 0.57 0.40 -0.53 0.00 0.00 176.83 177.61 2k2j h ILE 114 N -0.17 0.72 -0.01 2.23 2.04 -0.63 0.31 117.51 122.00 2k2j h ILE 114 Ca 0.02 -0.15 -0.24 0.00 1.00 0.00 0.00 64.86 65.49 2k2j h ILE 114 Cb 0.38 0.25 0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2k2j h ILE 114 CO 0.01 0.08 -0.97 -0.09 0.00 0.00 0.00 178.15 177.17 2k2j h ARG 115 N 0.44 0.55 0.00 2.37 2.43 -0.92 -1.97 114.38 117.28 2k2j h ARG 115 Ca 0.44 -0.58 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 2k2j h ARG 115 Cb 1.04 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2k2j h ARG 115 CO -0.16 1.20 0.00 0.93 -1.51 0.00 0.00 179.97 180.43 2k2j h GLU 116 N 0.32 0.00 0.00 0.20 5.08 0.29 0.42 114.58 120.89 2k2j h GLU 116 Ca -0.10 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 2k2j h GLU 116 Cb 1.61 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.85 2k2j h GLU 116 CO 0.18 0.00 -1.84 -0.89 -1.00 0.00 0.00 179.01 175.46 2k2j n ILE 117 N -2.79 0.18 -0.08 3.13 5.41 -0.47 -4.18 119.36 120.57 2k2j n ILE 117 Ca -0.02 -0.44 -0.13 0.00 1.00 0.00 0.00 62.75 63.16 2k2j n ILE 117 Cb 0.07 -0.01 -0.04 0.00 -0.71 0.00 0.00 39.64 38.95 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 -2.18 1.42 -0.12 1.39 -2.24 -0.61 -4.52 114.28 107.41 2k2j n THR 118 Ca -0.07 0.03 0.10 0.00 -2.27 0.00 0.00 64.05 61.84 2k2j n THR 118 Cb 0.54 -2.12 0.44 0.00 -2.10 0.00 0.00 70.33 67.09 2k2j n THR 118 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 2k2j h TRP 119 N -0.86 0.56 -4.02 4.78 4.06 -0.44 -3.42 115.95 116.62 2k2j h TRP 119 Ca -0.17 0.01 -0.40 0.00 2.06 0.00 0.00 58.89 60.39 2k2j h TRP 119 Cb 1.05 -0.18 -0.25 0.00 -1.00 0.00 0.00 29.16 28.77 2k2j h TRP 119 CO -0.29 0.28 -0.78 0.21 -3.56 0.00 0.00 178.44 174.30 2k2j s LYS 120 N -5.50 0.80 0.00 0.49 2.20 -1.17 -5.06 119.74 111.50 2k2j s LYS 120 Ca -0.08 -0.64 0.00 0.00 -0.36 0.00 0.00 55.97 54.88 2k2j s LYS 120 Cb 0.20 -0.76 0.00 0.00 -1.51 0.00 0.00 37.83 35.76 2k2j s LYS 120 CO 0.76 0.19 0.00 -0.89 -0.36 0.00 0.00 175.35 175.04 2k2j n ILE 121 N 2.06 0.00 -3.58 5.43 2.08 -1.26 -3.86 119.36 120.23 2k2j n ILE 121 Ca -0.18 0.00 -0.09 0.00 0.56 0.00 0.00 62.75 63.04 2k2j n ILE 121 Cb 0.55 0.00 -0.02 0.00 -0.75 0.00 0.00 39.64 39.42 2k2j n ILE 121 CO 0.00 0.00 0.00 1.51 0.56 0.00 0.00 176.55 178.62 2k2j s ASP 122 N -1.00 -0.41 0.52 4.38 -4.77 -1.26 -4.97 116.67 109.16 2k2j s ASP 122 Ca 0.00 -0.20 0.00 0.00 -3.30 0.00 0.00 52.55 49.05 2k2j s ASP 122 Cb 0.00 0.58 0.00 0.00 -1.09 0.00 0.00 42.92 42.41 2k2j s ASP 122 CO 0.00 -0.99 0.00 0.35 0.70 0.00 0.00 175.17 175.23 2k2j n THR 123 N -0.39 0.00 -1.36 2.11 -2.24 -1.26 -5.30 114.28 105.85 2k2j n THR 123 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2k2j n THR 123 Cb 0.62 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 2k2j n THR 123 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67