#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 -4.74 0.00 1.97 5.02 -1.26 -5.04 118.16 114.10 2k2j n LYS 9 Ca 0.00 3.50 0.00 0.00 -2.02 0.00 0.00 58.31 59.79 2k2j n LYS 9 Cb 0.00 -4.52 0.00 0.00 -0.02 0.00 0.00 35.03 30.49 2k2j n LYS 9 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2k2j n ASP 10 N 1.68 0.80 0.05 4.39 5.75 -1.26 -5.04 116.55 122.92 2k2j n ASP 10 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.70 2k2j n ASP 10 Cb 0.13 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 2k2j n ASP 10 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 2k2j n GLU 11 N -2.49 0.00 -2.59 0.11 4.07 -1.26 -5.14 120.64 113.34 2k2j n GLU 11 Ca 0.00 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 57.04 2k2j n GLU 11 Cb 0.27 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.60 2k2j n GLU 11 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2k2j n HIS 12 N -2.77 -4.51 -3.42 4.31 8.25 -1.26 -4.95 115.22 110.87 2k2j n HIS 12 Ca 0.00 2.62 -0.41 0.00 -0.26 0.00 0.00 57.72 59.66 2k2j n HIS 12 Cb 0.00 -3.94 -0.10 0.00 1.12 0.00 0.00 29.99 27.08 2k2j n HIS 12 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2k2j s LYS 13 N -0.69 3.36 -0.62 -0.41 1.02 -1.26 -5.03 119.74 116.11 2k2j s LYS 13 Ca -0.29 -0.63 -0.27 0.00 0.02 0.00 0.00 55.97 54.80 2k2j s LYS 13 Cb 0.02 -3.87 -0.00 0.00 -0.52 0.00 0.00 37.83 33.46 2k2j s LYS 13 CO 0.80 -0.61 1.62 -0.65 -0.92 0.00 0.00 175.35 175.58 2k2j s GLN 14 N 1.94 2.94 -0.06 1.68 -1.52 -1.26 -4.88 119.66 118.50 2k2j s GLN 14 Ca 0.10 0.40 0.03 0.00 -1.95 0.00 0.00 55.36 53.94 2k2j s GLN 14 Cb -0.17 -4.27 0.01 0.00 -0.22 0.00 0.00 33.01 28.35 2k2j s GLN 14 CO 0.12 -2.38 -0.14 -0.65 -0.25 0.00 0.00 175.29 171.98 2k2j s GLN 15 N 6.34 1.73 0.00 2.91 -0.21 -1.26 -1.00 119.66 128.16 2k2j s GLN 15 Ca 0.57 -0.49 0.00 0.00 0.02 0.00 0.00 55.36 55.45 2k2j s GLN 15 Cb -0.12 -1.45 0.00 0.00 1.00 0.00 0.00 33.01 32.45 2k2j s GLN 15 CO 0.21 0.12 0.00 0.41 -2.12 0.00 0.00 175.29 173.90 2k2j n GLY 16 N 3.51 -0.58 3.18 3.09 0.00 -0.30 -4.98 105.19 109.10 2k2j n GLY 16 Ca -0.21 0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.00 0.94 0.21 1.61 2.02 -1.26 -0.85 118.70 121.37 2k2j s GLU 17 Ca 0.00 -0.88 -0.08 0.00 0.02 0.00 0.00 54.97 54.03 2k2j s GLU 17 Cb 0.00 -0.99 -0.02 0.00 0.10 0.00 0.00 34.13 33.22 2k2j s GLU 17 CO 0.00 0.24 0.31 -0.51 0.02 0.00 0.00 175.26 175.32 2k2j s LEU 18 N -1.43 0.77 -0.16 1.80 1.43 -0.89 -4.84 118.68 115.36 2k2j s LEU 18 Ca 0.01 -1.08 -0.01 0.00 -1.03 0.00 0.00 54.13 52.02 2k2j s LEU 18 Cb -0.09 1.14 0.04 0.00 0.03 0.00 0.00 46.19 47.32 2k2j s LEU 18 CO 0.02 -0.98 -0.03 -0.31 0.23 0.00 0.00 176.35 175.28 2k2j s TYR 19 N -4.06 1.49 0.02 0.29 1.51 -1.17 -2.69 117.35 112.75 2k2j s TYR 19 Ca 0.27 -0.95 0.04 0.00 -1.01 0.00 0.00 57.07 55.42 2k2j s TYR 19 Cb 0.03 -1.22 -0.03 0.00 -0.11 0.00 0.00 41.96 40.63 2k2j s TYR 19 CO 0.08 -0.58 -0.07 -1.64 -1.11 0.00 0.00 175.55 172.23 2k2j s MET 20 N 1.70 2.50 -0.29 -0.62 -1.94 -1.25 -0.32 119.30 119.07 2k2j s MET 20 Ca 0.01 -0.76 -0.28 0.00 -1.71 0.00 0.00 55.69 52.94 2k2j s MET 20 Cb -0.15 -2.48 -0.03 0.00 2.01 0.00 0.00 34.83 34.18 2k2j s MET 20 CO -0.07 0.59 1.97 -0.46 -0.01 0.00 0.00 175.02 177.04 2k2j s TRP 21 N -1.04 1.54 -0.70 -0.03 -0.00 -0.75 -3.87 118.94 114.10 2k2j s TRP 21 Ca 0.18 0.61 -0.26 0.00 -0.00 0.00 0.00 56.10 56.63 2k2j s TRP 21 Cb -0.11 -4.04 0.04 0.00 -0.00 0.00 0.00 33.47 29.36 2k2j s TRP 21 CO 0.09 -3.37 1.18 0.34 -0.00 0.00 0.00 176.95 175.19 2k2j s ASP 22 N 7.08 6.19 0.00 5.86 2.15 -0.66 -4.77 116.67 132.52 2k2j s ASP 22 Ca 0.88 -0.53 0.20 0.00 0.43 0.00 0.00 52.55 53.53 2k2j s ASP 22 Cb -0.26 -2.52 1.21 0.00 -0.30 0.00 0.00 42.92 41.04 2k2j s ASP 22 CO 0.34 -1.69 1.60 -0.24 -0.17 0.00 0.00 175.17 175.01 2k2j n SER 23 N 8.81 0.00 -0.05 -0.34 2.88 -1.26 0.17 113.62 123.83 2k2j n SER 23 Ca 0.02 -0.70 -0.03 0.00 -1.33 0.00 0.00 58.87 56.82 2k2j n SER 23 Cb 0.48 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.93 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 0.00 -0.01 2.46 1.08 -1.95 -3.39 117.51 115.69 2k2j h ILE 24 Ca 0.00 -0.80 0.00 0.00 -0.39 0.00 0.00 64.86 63.67 2k2j h ILE 24 Cb 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.75 2k2j h ILE 24 CO 0.00 0.00 -0.39 0.47 -0.69 0.00 0.00 178.15 177.54 2k2j n ASP 25 N -4.17 1.33 -3.08 1.72 9.92 -1.24 -5.00 116.55 116.04 2k2j n ASP 25 Ca -0.05 -1.07 -0.05 0.00 -0.53 0.00 0.00 54.79 53.10 2k2j n ASP 25 Cb 0.17 0.31 0.00 0.00 -0.64 0.00 0.00 41.12 40.97 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 -0.54 -1.62 -3.73 -1.24 3.00 0.13 -5.04 117.38 108.34 2k2j n GLN 26 Ca 0.10 1.59 -0.02 0.00 -0.01 0.00 0.00 57.00 58.67 2k2j n GLN 26 Cb 0.39 -5.36 -0.01 0.00 0.00 0.00 0.00 30.24 25.26 2k2j n GLN 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 2k2j s LYS 27 N -3.04 0.92 -0.39 -1.09 -2.85 -1.09 -4.99 119.74 107.21 2k2j s LYS 27 Ca 0.07 -0.52 -0.18 0.00 -1.00 0.00 0.00 55.97 54.34 2k2j s LYS 27 Cb -0.02 0.30 0.01 0.00 -2.06 0.00 0.00 37.83 36.07 2k2j s LYS 27 CO 0.77 -0.42 0.50 -1.58 0.10 0.00 0.00 175.35 174.72 2k2j s TRP 28 N -2.85 3.15 -0.12 1.78 0.52 -1.26 -1.66 118.94 118.50 2k2j s TRP 28 Ca 0.14 -0.07 -0.07 0.00 0.02 0.00 0.00 56.10 56.12 2k2j s TRP 28 Cb 0.01 -2.98 -0.04 0.00 -1.15 0.00 0.00 33.47 29.30 2k2j s TRP 28 CO 0.00 -0.65 0.14 0.95 0.02 0.00 0.00 176.95 177.41 2k2j s THR 29 N 2.37 5.50 -0.23 2.01 -4.23 -1.25 -5.00 115.64 114.81 2k2j s THR 29 Ca 0.17 0.22 -0.20 0.00 -1.18 0.00 0.00 61.69 60.69 2k2j s THR 29 Cb -0.16 -3.41 -0.02 0.00 1.34 0.00 0.00 72.50 70.25 2k2j s THR 29 CO 0.14 0.62 0.62 -0.60 -0.54 0.00 0.00 174.62 174.86 2k2j s ARG 30 N -1.02 4.16 -0.00 3.99 3.52 -1.26 -3.90 118.95 124.43 2k2j s ARG 30 Ca 0.15 0.56 0.02 0.00 -0.13 0.00 0.00 55.73 56.33 2k2j s ARG 30 Cb -0.12 -3.61 -0.00 0.00 -1.56 0.00 0.00 34.95 29.65 2k2j s ARG 30 CO 0.04 -0.32 -0.06 -3.38 -0.81 0.00 0.00 175.30 170.77 2k2j s HIS 31 N 2.20 0.53 -0.69 5.12 -3.43 -1.09 -3.55 115.29 114.38 2k2j s HIS 31 Ca 0.27 -0.10 -0.27 0.00 -0.80 0.00 0.00 55.06 54.16 2k2j s HIS 31 Cb -0.16 -0.34 0.01 0.00 -1.43 0.00 0.00 32.58 30.66 2k2j s HIS 31 CO 0.09 -0.01 1.49 -0.47 -2.00 0.00 0.00 174.74 173.84 2k2j s TYR 32 N -0.12 2.06 0.53 0.38 5.04 -1.26 -2.10 117.35 121.88 2k2j s TYR 32 Ca 0.02 0.26 -0.08 0.00 -2.44 0.00 0.00 57.07 54.84 2k2j s TYR 32 Cb -0.02 -4.43 -0.04 0.00 0.35 0.00 0.00 41.96 37.82 2k2j s TYR 32 CO -0.00 -2.15 0.88 0.00 -1.34 0.00 0.00 175.55 172.93 2k2j s ALA 34 N -2.89 -2.48 -0.34 0.00 0.00 -0.55 -1.15 121.76 114.34 2k2j s ALA 34 Ca 0.50 2.04 -0.22 0.00 0.00 0.00 0.00 51.96 54.28 2k2j s ALA 34 Cb -0.11 -2.04 0.00 0.00 0.00 0.00 0.00 23.12 20.98 2k2j s ALA 34 CO 0.48 -1.08 0.74 0.42 0.00 0.00 0.00 175.76 176.31 2k2j s ILE 35 N 2.75 4.80 -0.28 0.00 1.01 -0.17 -0.72 121.20 128.59 2k2j s ILE 35 Ca 0.01 0.88 -0.08 0.00 0.00 0.00 0.00 60.65 61.47 2k2j s ILE 35 Cb -0.10 -4.15 -0.01 0.00 0.01 0.00 0.00 42.46 38.21 2k2j s ILE 35 CO -0.18 -0.34 0.09 0.00 0.00 0.00 0.00 174.94 174.52 2k2j s ALA 36 N 2.93 3.16 0.00 9.38 0.00 0.58 -4.22 121.76 133.59 2k2j s ALA 36 Ca 0.29 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.97 2k2j s ALA 36 Cb -0.14 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.81 2k2j s ALA 36 CO 0.15 -0.71 0.00 -3.47 0.00 0.00 0.00 175.76 171.73 2k2j n ASP 37 N 4.92 0.00 0.00 0.00 2.03 -1.26 -1.72 116.55 120.52 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 0.50 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 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 0.63 0.49 -2.08 -1.67 0.00 -1.26 -5.11 120.51 111.50 2k2j n ALA 38 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 2k2j n ALA 38 Cb 0.00 0.01 0.04 0.00 0.00 0.00 0.00 19.45 19.49 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 -0.49 2.70 0.06 0.00 1.02 -0.70 -3.91 119.74 118.42 2k2j s LYS 39 Ca 0.00 -0.41 0.08 0.00 0.02 0.00 0.00 55.97 55.66 2k2j s LYS 39 Cb 0.00 -2.39 -0.03 0.00 -0.52 0.00 0.00 37.83 34.89 2k2j s LYS 39 CO 0.00 -0.70 -0.19 -1.17 -0.92 0.00 0.00 175.35 172.37 2k2j s LEU 40 N -4.86 2.57 -0.16 3.17 2.96 -1.03 -0.31 118.68 121.02 2k2j s LEU 40 Ca 0.55 -0.49 -0.01 0.00 -0.22 0.00 0.00 54.13 53.96 2k2j s LEU 40 Cb -0.10 -1.49 0.04 0.00 0.50 0.00 0.00 46.19 45.14 2k2j s LEU 40 CO 0.41 0.24 -0.03 -0.94 -1.32 0.00 0.00 176.35 174.71 2k2j s SER 41 N -1.60 2.65 -0.17 3.68 1.04 0.10 -0.28 113.70 119.13 2k2j s SER 41 Ca 0.15 -0.60 -0.08 0.00 0.48 0.00 0.00 55.95 55.90 2k2j s SER 41 Cb -0.10 -0.79 -0.04 0.00 0.10 0.00 0.00 66.02 65.18 2k2j s SER 41 CO 0.06 -0.21 0.10 0.72 0.98 0.00 0.00 173.24 174.90 2k2j s PHE 42 N 1.72 3.39 0.46 5.02 -0.12 -0.84 -1.49 117.98 126.13 2k2j s PHE 42 Ca 0.01 0.30 -0.01 0.00 -0.05 0.00 0.00 56.93 57.18 2k2j s PHE 42 Cb -0.15 -2.05 -0.01 0.00 -0.63 0.00 0.00 43.02 40.18 2k2j s PHE 42 CO -0.07 0.38 0.69 0.45 -0.05 0.00 0.00 175.22 176.62 2k2j s SER 43 N -0.09 5.90 1.04 1.98 0.15 -0.95 -1.66 113.70 120.06 2k2j s SER 43 Ca 0.09 0.41 -0.12 0.00 0.70 0.00 0.00 55.95 57.03 2k2j s SER 43 Cb -0.12 -1.67 0.21 0.00 -1.71 0.00 0.00 66.02 62.73 2k2j s SER 43 CO 0.00 -0.69 1.08 1.51 1.20 0.00 0.00 173.24 176.35 2k2j s ASP 44 N -4.20 2.01 0.14 5.45 -4.77 -1.25 -4.14 116.67 109.90 2k2j s ASP 44 Ca 0.48 1.79 -0.35 0.00 -3.30 0.00 0.00 52.55 51.17 2k2j s ASP 44 Cb -0.10 -2.40 -0.15 0.00 -1.09 0.00 0.00 42.92 39.17 2k2j s ASP 44 CO 0.39 -3.61 1.41 0.47 0.70 0.00 0.00 175.17 174.53 2k2j n ASP 45 N -4.54 2.21 -0.92 2.11 9.92 -1.26 -4.55 116.55 119.51 2k2j n ASP 45 Ca 0.07 1.11 0.09 0.00 -0.53 0.00 0.00 54.79 55.53 2k2j n ASP 45 Cb 0.53 -1.30 0.24 0.00 -0.64 0.00 0.00 41.12 39.96 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 2.66 0.62 0.00 0.53 -5.35 -1.23 -4.16 119.36 112.43 2k2j n ILE 46 Ca 0.17 -0.66 0.00 0.00 -0.27 0.00 0.00 62.75 61.99 2k2j n ILE 46 Cb 0.24 0.40 0.00 0.00 -1.74 0.00 0.00 39.64 38.55 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 0.98 0.00 -1.39 6.28 0.28 -1.26 -4.93 120.64 120.60 2k2j n GLU 47 Ca 0.17 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.83 2k2j n GLU 47 Cb 0.44 -0.06 0.08 0.00 1.43 0.00 0.00 31.44 33.33 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 -1.10 2.75 -1.62 3.44 1.13 -1.26 -5.01 117.38 115.70 2k2j n GLN 48 Ca 0.00 -3.35 -0.51 0.00 -1.94 0.00 0.00 57.00 51.20 2k2j n GLN 48 Cb 0.00 -2.29 -0.06 0.00 0.11 0.00 0.00 30.24 28.00 2k2j n GLN 48 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2k2j n THR 49 N -0.90 0.06 -0.18 5.09 -2.24 -1.26 -4.80 114.28 110.06 2k2j n THR 49 Ca 0.62 -0.01 0.06 0.00 -2.27 0.00 0.00 64.05 62.45 2k2j n THR 49 Cb 0.67 -1.06 0.28 0.00 -2.10 0.00 0.00 70.33 68.12 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 3.19 3.38 -1.54 -0.78 2.81 -1.26 -4.93 117.12 117.99 2k2j n MET 50 Ca 0.19 -2.16 -0.45 0.00 -1.81 0.00 0.00 57.70 53.47 2k2j n MET 50 Cb 0.21 -1.88 -0.05 0.00 -0.71 0.00 0.00 33.22 30.79 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 0.61 1.48 -0.01 0.03 1.02 -1.26 -4.86 120.64 117.64 2k2j n GLU 51 Ca 0.19 0.36 -0.00 0.00 -0.02 0.00 0.00 57.16 57.69 2k2j n GLU 51 Cb 0.80 -2.95 -0.00 0.00 -0.02 0.00 0.00 31.44 29.27 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 14.69 -0.01 -0.67 3.49 4.81 -2.04 -3.38 114.58 131.47 2k2j h GLU 52 Ca -0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 2k2j h GLU 52 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 2k2j h GLU 52 CO 1.02 -0.01 0.00 -0.25 -0.73 0.00 0.00 179.01 179.04 2k2j n ASP 53 N -2.72 4.16 -3.20 1.04 8.00 -1.26 -4.98 116.55 117.59 2k2j n ASP 53 Ca -0.00 -2.16 -0.08 0.00 0.71 0.00 0.00 54.79 53.26 2k2j n ASP 53 Cb 0.00 -0.50 0.02 0.00 -0.02 0.00 0.00 41.12 40.62 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 1.36 -7.14 -0.47 -2.24 3.02 -1.26 -4.86 115.26 103.67 2k2j n ASN 54 Ca 0.24 -0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 2k2j n ASN 54 Cb 0.70 -4.91 0.00 0.00 -0.61 0.00 0.00 39.78 34.96 2k2j n ASN 54 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2k2j n PRO 55 N -2.37 0.89 -2.60 3.52 -0.02 -1.26 -4.90 135.00 128.26 2k2j n PRO 55 Ca -0.05 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.39 2k2j n PRO 55 Cb 0.55 -1.42 -0.04 0.00 -0.02 0.00 0.00 33.50 32.57 2k2j n PRO 55 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2k2j n LEU 56 N 0.02 -6.41 -4.82 2.45 7.94 -1.26 -4.97 117.00 109.95 2k2j n LEU 56 Ca 0.00 2.14 -0.36 0.00 -1.11 0.00 0.00 56.01 56.68 2k2j n LEU 56 Cb 0.21 -3.27 -0.06 0.00 0.53 0.00 0.00 43.42 40.83 2k2j n LEU 56 CO 0.00 -3.86 0.36 -0.83 -1.11 0.00 0.00 177.39 171.94 2k2j s GLY 57 N -0.83 2.60 0.56 -3.96 0.00 -1.26 -5.09 107.32 99.34 2k2j s GLY 57 Ca -0.24 0.08 0.07 0.00 0.00 0.00 0.00 44.72 44.63 2k2j s GLY 57 CO 0.79 0.44 0.77 1.44 0.00 0.00 0.00 173.10 176.53 2k2j n SER 58 N 0.91 1.74 0.00 1.64 7.64 -1.26 -5.08 113.62 119.22 2k2j n SER 58 Ca -0.04 -2.30 0.00 0.00 1.01 0.00 0.00 58.87 57.54 2k2j n SER 58 Cb 0.51 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 2k2j n SER 58 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2k2j n LEU 59 N 0.00 0.13 -4.55 -3.43 -0.00 -1.26 -4.47 117.00 103.42 2k2j n LEU 59 Ca 0.15 0.69 -0.36 0.00 -0.00 0.00 0.00 56.01 56.49 2k2j n LEU 59 Cb 0.54 -0.46 -0.03 0.00 -0.00 0.00 0.00 43.42 43.47 2k2j n LEU 59 CO 0.35 -0.46 1.70 0.00 -0.00 0.00 0.00 177.39 178.99 2k2j h ARG 61 N 16.05 0.00 -1.07 0.00 9.65 -1.55 -3.49 114.38 133.97 2k2j h ARG 61 Ca -0.22 0.00 0.36 0.00 -1.10 0.00 0.00 59.98 59.02 2k2j h ARG 61 Cb 1.18 0.00 -0.17 0.00 -1.39 0.00 0.00 29.97 29.59 2k2j h ARG 61 CO 1.20 0.26 0.97 0.20 2.80 0.00 0.00 179.97 185.39 2k2j s GLY 62 N -4.40 -0.38 0.00 2.80 0.00 -1.04 -4.99 107.32 99.31 2k2j s GLY 62 Ca 0.04 1.33 0.03 0.00 0.00 0.00 0.00 44.72 46.12 2k2j s GLY 62 CO 0.73 0.36 -0.09 -0.42 0.00 0.00 0.00 173.10 173.68 2k2j s ILE 63 N -2.07 0.74 -0.50 0.90 1.01 -1.26 -1.98 121.20 118.05 2k2j s ILE 63 Ca 0.14 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.29 2k2j s ILE 63 Cb 0.04 -0.64 0.13 0.00 0.01 0.00 0.00 42.46 42.00 2k2j s ILE 63 CO -0.05 0.13 0.26 -0.22 0.00 0.00 0.00 174.94 175.06 2k2j s LEU 64 N -0.43 4.75 -0.42 2.97 2.96 0.61 -4.94 118.68 124.18 2k2j s LEU 64 Ca 0.02 -2.68 -0.28 0.00 -0.22 0.00 0.00 54.13 50.97 2k2j s LEU 64 Cb -0.04 -1.72 -0.08 0.00 0.50 0.00 0.00 46.19 44.85 2k2j s LEU 64 CO -0.00 -0.33 2.36 -0.90 -1.32 0.00 0.00 176.35 176.15 2k2j n ASP 65 N 3.61 2.46 -1.13 3.68 5.75 -1.26 -2.48 116.55 127.18 2k2j n ASP 65 Ca 0.05 -0.16 -0.03 0.00 -0.01 0.00 0.00 54.79 54.64 2k2j n ASP 65 Cb 0.37 -1.50 0.03 0.00 -1.03 0.00 0.00 41.12 38.98 2k2j n ASP 65 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2k2j n LEU 66 N 13.69 3.37 -0.91 -2.12 4.77 -1.25 -3.71 117.00 130.84 2k2j n LEU 66 Ca 0.37 -1.71 0.08 0.00 -0.03 0.00 0.00 56.01 54.71 2k2j n LEU 66 Cb 0.45 -0.54 0.24 0.00 -2.33 0.00 0.00 43.42 41.24 2k2j n LEU 66 CO 0.71 0.55 0.70 0.59 -1.33 0.00 0.00 177.39 178.62 2k2j n ASN 67 N 0.27 3.73 -0.58 -1.43 3.02 -1.26 -3.93 115.26 115.08 2k2j n ASN 67 Ca 0.08 -2.65 -0.02 0.00 -0.03 0.00 0.00 54.58 51.96 2k2j n ASN 67 Cb 0.64 -0.45 -0.02 0.00 -0.61 0.00 0.00 39.78 39.33 2k2j n ASN 67 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 2k2j n THR 68 N -0.01 0.00 -4.23 3.41 5.66 -1.24 -5.09 114.28 112.77 2k2j n THR 68 Ca 0.19 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.93 2k2j n THR 68 Cb 0.76 0.16 -0.07 0.00 -1.55 0.00 0.00 70.33 69.62 2k2j n THR 68 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 2k2j s TYR 69 N 0.00 2.45 -0.07 1.09 2.02 -1.26 0.06 117.35 121.64 2k2j s TYR 69 Ca 0.00 -0.65 0.01 0.00 -0.37 0.00 0.00 57.07 56.06 2k2j s TYR 69 Cb 0.00 -1.90 0.02 0.00 -0.40 0.00 0.00 41.96 39.68 2k2j s TYR 69 CO 0.00 0.17 -0.08 -0.80 -1.57 0.00 0.00 175.55 173.27 2k2j s ASN 70 N -3.91 1.64 -0.08 2.29 0.01 0.78 -4.81 114.94 110.86 2k2j s ASN 70 Ca 0.37 -0.24 -0.12 0.00 -0.71 0.00 0.00 52.86 52.15 2k2j s ASN 70 Cb 0.04 -0.70 -0.05 0.00 0.41 0.00 0.00 41.25 40.95 2k2j s ASN 70 CO 0.20 -0.05 0.30 -0.69 -1.51 0.00 0.00 177.10 175.36 2k2j s VAL 71 N 1.09 5.24 -0.04 1.60 1.01 -1.26 0.02 120.40 128.06 2k2j s VAL 71 Ca -0.07 0.59 -0.01 0.00 0.00 0.00 0.00 61.98 62.48 2k2j s VAL 71 Cb -0.14 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.66 2k2j s VAL 71 CO -0.01 0.53 0.04 0.68 0.00 0.00 0.00 175.10 176.34 2k2j s VAL 72 N -0.61 -0.01 -0.56 2.92 -7.23 -0.49 -4.99 120.40 109.43 2k2j s VAL 72 Ca 0.19 0.30 -0.28 0.00 -1.81 0.00 0.00 61.98 60.39 2k2j s VAL 72 Cb -0.14 -0.19 0.01 0.00 0.56 0.00 0.00 36.38 36.62 2k2j s VAL 72 CO 0.08 0.16 1.46 -0.75 -0.31 0.00 0.00 175.10 175.74 2k2j s LYS 73 N 1.75 3.26 -0.20 4.82 2.20 -1.26 -1.28 119.74 129.01 2k2j s LYS 73 Ca -0.00 0.50 -0.29 0.00 -0.36 0.00 0.00 55.97 55.81 2k2j s LYS 73 Cb -0.12 -4.15 0.00 0.00 -1.51 0.00 0.00 37.83 32.05 2k2j s LYS 73 CO -0.03 -1.99 1.06 0.00 -0.36 0.00 0.00 175.35 174.03 2k2j s ALA 74 N 6.29 3.65 -0.06 3.13 0.00 0.34 -4.97 121.76 130.14 2k2j s ALA 74 Ca 0.54 0.24 -0.01 0.00 0.00 0.00 0.00 51.96 52.73 2k2j s ALA 74 Cb -0.11 -3.54 -0.00 0.00 0.00 0.00 0.00 23.12 19.46 2k2j s ALA 74 CO 0.25 -1.00 -0.02 -1.00 0.00 0.00 0.00 175.76 173.99 2k2j h PRO 75 N 7.48 0.00 -0.12 0.00 0.14 -1.84 -2.91 132.00 134.76 2k2j h PRO 75 Ca -0.22 0.00 0.03 0.00 0.14 0.00 0.00 66.00 65.96 2k2j h PRO 75 Cb 1.08 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 32.21 2k2j h PRO 75 CO 0.96 0.00 0.41 0.37 0.14 0.00 0.00 178.00 179.88 2k2j h GLN 76 N -0.55 0.00 0.00 0.86 4.15 -1.93 -3.42 115.11 114.22 2k2j h GLN 76 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2k2j h GLN 76 Cb 0.05 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.74 2k2j h GLN 76 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.31 2k2j n GLY 77 N -1.31 -0.30 1.82 2.39 0.00 -1.25 -4.73 105.19 101.81 2k2j n GLY 77 Ca 0.01 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.12 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 0.00 0.00 -3.93 1.61 3.00 -1.25 -4.86 118.16 112.73 2k2j n LYS 78 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.01 2k2j n LYS 78 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 34.89 2k2j n LYS 78 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2k2j s ASN 79 N -1.98 4.25 -0.64 3.14 -0.87 -1.26 -4.76 114.94 112.82 2k2j s ASN 79 Ca 0.00 -2.96 0.00 0.00 -1.57 0.00 0.00 52.86 48.33 2k2j s ASN 79 Cb 0.00 -1.57 0.00 0.00 -0.02 0.00 0.00 41.25 39.66 2k2j s ASN 79 CO 0.00 -0.24 0.00 0.00 -2.57 0.00 0.00 177.10 174.29 2k2j n GLN 80 N 3.17 -1.80 -3.82 -0.60 1.13 -1.26 -4.93 117.38 109.27 2k2j n GLN 80 Ca 0.05 0.65 -0.21 0.00 -1.94 0.00 0.00 57.00 55.56 2k2j n GLN 80 Cb 0.32 -4.93 -0.03 0.00 0.11 0.00 0.00 30.24 25.71 2k2j n GLN 80 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2k2j s LYS 81 N -2.35 2.89 -0.15 -1.09 -0.14 -1.26 -5.05 119.74 112.58 2k2j s LYS 81 Ca 0.00 -1.16 -0.01 0.00 -1.36 0.00 0.00 55.97 53.45 2k2j s LYS 81 Cb 0.00 -2.59 -0.09 0.00 -1.68 0.00 0.00 37.83 33.47 2k2j s LYS 81 CO 0.00 0.17 -0.15 -1.13 -0.76 0.00 0.00 175.35 173.49 2k2j n SER 82 N -1.39 2.51 -4.26 2.83 3.41 -1.26 -3.93 113.62 111.53 2k2j n SER 82 Ca -0.03 -0.03 -0.37 0.00 -0.26 0.00 0.00 58.87 58.18 2k2j n SER 82 Cb 0.59 -0.28 -0.12 0.00 -0.26 0.00 0.00 64.21 64.13 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 -2.30 3.26 0.05 7.33 0.08 -1.26 -3.83 117.98 121.31 2k2j s PHE 83 Ca -0.21 -1.51 0.04 0.00 0.12 0.00 0.00 56.93 55.37 2k2j s PHE 83 Cb 0.06 -2.28 -0.02 0.00 -0.57 0.00 0.00 43.02 40.20 2k2j s PHE 83 CO 0.33 -0.75 -0.11 0.08 -0.10 0.00 0.00 175.22 174.68 2k2j s VAL 84 N 1.38 0.81 -0.10 -0.44 1.01 -1.10 -4.01 120.40 117.95 2k2j s VAL 84 Ca -0.02 -1.11 -0.00 0.00 0.00 0.00 0.00 61.98 60.85 2k2j s VAL 84 Cb -0.20 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.40 2k2j s VAL 84 CO 0.02 -0.25 -0.07 -0.36 0.00 0.00 0.00 175.10 174.44 2k2j s PHE 85 N -1.21 1.35 -0.10 5.22 0.40 -1.01 0.13 117.98 122.76 2k2j s PHE 85 Ca -0.05 -0.62 -0.06 0.00 -0.60 0.00 0.00 56.93 55.59 2k2j s PHE 85 Cb -0.09 -1.14 -0.04 0.00 0.51 0.00 0.00 43.02 42.26 2k2j s PHE 85 CO 0.01 -0.45 0.15 0.42 0.70 0.00 0.00 175.22 176.06 2k2j s ILE 86 N 1.57 5.49 -0.15 0.64 1.01 -0.41 -1.34 121.20 128.02 2k2j s ILE 86 Ca 0.02 0.14 -0.06 0.00 0.00 0.00 0.00 60.65 60.75 2k2j s ILE 86 Cb -0.13 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 2k2j s ILE 86 CO -0.06 0.56 0.05 -0.76 0.00 0.00 0.00 174.94 174.73 2k2j s LEU 87 N -1.22 3.79 -0.26 2.97 1.43 0.11 -1.40 118.68 124.10 2k2j s LEU 87 Ca 0.18 0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.43 2k2j s LEU 87 Cb -0.12 -1.93 0.06 0.00 0.03 0.00 0.00 46.19 44.23 2k2j s LEU 87 CO 0.07 0.25 -0.10 -1.61 0.23 0.00 0.00 176.35 175.20 2k2j s GLU 88 N -0.10 2.10 0.85 1.70 2.02 0.10 -2.41 118.70 122.97 2k2j s GLU 88 Ca 0.06 -1.28 -0.12 0.00 0.02 0.00 0.00 54.97 53.65 2k2j s GLU 88 Cb -0.12 -2.83 0.11 0.00 0.10 0.00 0.00 34.13 31.39 2k2j s GLU 88 CO 0.01 -0.58 1.18 -1.25 0.02 0.00 0.00 175.26 174.64 2k2j s PRO 89 N 1.16 1.37 0.00 0.39 0.04 -1.26 -0.16 135.00 136.54 2k2j s PRO 89 Ca -0.08 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.63 2k2j s PRO 89 Cb -0.20 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2k2j s PRO 89 CO -0.05 -2.40 0.30 1.63 0.04 0.00 0.00 177.00 176.52 2k2j n LYS 90 N -3.70 -0.05 0.34 4.56 5.02 0.11 -4.82 118.16 119.62 2k2j n LYS 90 Ca 0.13 -0.30 -0.18 0.00 -2.02 0.00 0.00 58.31 55.93 2k2j n LYS 90 Cb 0.51 -0.78 -0.09 0.00 -0.02 0.00 0.00 35.03 34.64 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 0.00 -0.99 0.00 1.97 4.20 -1.94 -3.48 115.11 114.87 2k2j h GLN 91 Ca 0.00 0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2k2j h GLN 91 Cb 0.14 0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2k2j h GLN 91 CO 0.00 -0.66 0.00 0.94 -0.67 0.00 0.00 178.83 178.44 2k2j n GLN 92 N -5.57 0.00 -2.13 1.46 7.27 -1.26 -5.01 117.38 112.14 2k2j n GLN 92 Ca -0.13 0.00 0.01 0.00 0.07 0.00 0.00 57.00 56.95 2k2j n GLN 92 Cb 0.46 0.00 0.04 0.00 2.41 0.00 0.00 30.24 33.15 2k2j n GLN 92 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2k2j n GLY 93 N -1.13 1.80 3.77 1.69 0.00 -1.26 -5.11 105.19 104.95 2k2j n GLY 93 Ca 0.00 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 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 -3.00 4.48 0.46 1.61 1.11 -1.26 -5.03 116.67 115.04 2k2j s ASP 94 Ca 0.32 1.80 -0.15 0.00 0.18 0.00 0.00 52.55 54.70 2k2j s ASP 94 Cb 0.36 -2.50 -0.08 0.00 1.07 0.00 0.00 42.92 41.77 2k2j s ASP 94 CO -0.09 -2.05 0.89 -2.16 1.18 0.00 0.00 175.17 172.94 2k2j s PRO 95 N -4.91 3.91 0.73 8.23 0.04 -1.26 -4.71 135.00 137.03 2k2j s PRO 95 Ca 0.61 0.78 -0.10 0.00 0.04 0.00 0.00 61.00 62.34 2k2j s PRO 95 Cb -0.17 -2.25 0.05 0.00 0.04 0.00 0.00 34.50 32.18 2k2j s PRO 95 CO 0.56 -0.15 1.08 -1.25 0.04 0.00 0.00 177.00 177.29 2k2j s PRO 96 N -3.86 2.34 -0.04 0.56 0.04 -1.26 -4.61 135.00 128.17 2k2j s PRO 96 Ca 0.56 0.07 -0.01 0.00 0.04 0.00 0.00 61.00 61.66 2k2j s PRO 96 Cb -0.10 -2.07 0.03 0.00 0.04 0.00 0.00 34.50 32.40 2k2j s PRO 96 CO 0.29 -1.26 0.03 0.08 0.04 0.00 0.00 177.00 176.18 2k2j s VAL 97 N -3.37 0.04 0.09 -0.36 1.01 -1.01 -4.96 120.40 111.84 2k2j s VAL 97 Ca 0.60 0.27 -0.11 0.00 0.00 0.00 0.00 61.98 62.74 2k2j s VAL 97 Cb -0.11 -0.23 -0.06 0.00 0.00 0.00 0.00 36.38 35.98 2k2j s VAL 97 CO 0.48 0.17 0.42 -1.61 0.00 0.00 0.00 175.10 174.56 2k2j s GLU 98 N 1.73 3.79 0.17 2.72 8.01 -1.26 -0.72 118.70 133.15 2k2j s GLU 98 Ca -0.00 0.22 0.06 0.00 0.01 0.00 0.00 54.97 55.26 2k2j s GLU 98 Cb -0.13 -2.99 -0.04 0.00 -4.31 0.00 0.00 34.13 26.66 2k2j s GLU 98 CO -0.03 0.55 -0.12 -0.06 0.01 0.00 0.00 175.26 175.61 2k2j s PHE 99 N -1.40 1.45 -0.20 1.61 0.40 -0.45 -1.82 117.98 117.58 2k2j s PHE 99 Ca 0.33 -0.67 -0.24 0.00 -0.60 0.00 0.00 56.93 55.75 2k2j s PHE 99 Cb -0.14 -0.71 0.06 0.00 0.51 0.00 0.00 43.02 42.74 2k2j s PHE 99 CO 0.18 0.20 0.65 0.00 0.70 0.00 0.00 175.22 176.95 2k2j s ALA 100 N -3.12 -1.62 0.00 5.36 0.00 0.56 -2.41 121.76 120.53 2k2j s ALA 100 Ca 0.19 1.69 0.00 0.00 0.00 0.00 0.00 51.96 53.83 2k2j s ALA 100 Cb 0.01 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.31 2k2j s ALA 100 CO 0.03 -0.32 0.00 0.25 0.00 0.00 0.00 175.76 175.72 2k2j n THR 101 N 2.30 0.00 -0.02 0.00 -2.24 -1.26 -3.03 114.28 110.04 2k2j n THR 101 Ca -0.15 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2k2j n THR 101 Cb 0.56 -0.24 -0.05 0.00 -2.10 0.00 0.00 70.33 68.50 2k2j n THR 101 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2k2j n ASP 102 N -1.41 3.55 -4.44 3.42 5.75 -1.26 -4.94 116.55 117.22 2k2j n ASP 102 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 54.79 54.57 2k2j n ASP 102 Cb 0.00 0.93 -0.11 0.00 -1.03 0.00 0.00 41.12 40.92 2k2j n ASP 102 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2k2j s ARG 103 N -2.28 1.62 0.13 0.11 0.52 -1.26 -5.05 118.95 112.74 2k2j s ARG 103 Ca -0.03 -1.89 0.02 0.00 -0.52 0.00 0.00 55.73 53.32 2k2j s ARG 103 Cb 0.03 -0.88 -0.14 0.00 0.52 0.00 0.00 34.95 34.48 2k2j s ARG 103 CO 0.25 -0.16 1.29 -0.24 0.02 0.00 0.00 175.30 176.46 2k2j h VAL 104 N 2.15 1.57 0.21 3.52 3.04 -1.99 -2.97 116.25 121.79 2k2j h VAL 104 Ca -0.41 -2.99 -0.01 0.00 -1.01 0.00 0.00 66.70 62.29 2k2j h VAL 104 Cb 1.24 2.71 0.00 0.00 -2.01 0.00 0.00 31.29 33.23 2k2j h VAL 104 CO 0.69 0.86 -0.10 -0.33 -1.01 0.00 0.00 177.57 177.68 2k2j h GLU 105 N 0.06 -0.28 -0.07 4.17 5.08 -1.99 -1.78 114.58 119.77 2k2j h GLU 105 Ca -0.06 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2k2j h GLU 105 Cb 1.71 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 31.02 2k2j h GLU 105 CO 0.15 0.05 0.06 0.93 -1.00 0.00 0.00 179.01 179.20 2k2j h GLU 106 N -0.62 0.00 0.41 2.33 4.39 -1.99 0.06 114.58 119.15 2k2j h GLU 106 Ca -0.03 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 2k2j h GLU 106 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2k2j h GLU 106 CO 0.05 0.00 -0.20 1.25 -1.16 0.00 0.00 179.01 178.95 2k2j h LEU 107 N 0.00 -0.46 -1.51 1.33 5.85 -1.33 -1.65 115.31 117.54 2k2j h LEU 107 Ca 0.03 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 2k2j h LEU 107 Cb 0.15 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2k2j h LEU 107 CO -0.00 -0.07 -0.25 0.15 -0.34 0.00 0.00 178.44 177.93 2k2j h PHE 108 N -0.93 0.00 0.26 1.25 3.57 -0.93 -1.09 116.94 119.07 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 0.55 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.30 2k2j h PHE 108 CO 0.02 0.25 -0.12 1.49 -2.23 0.00 0.00 178.31 177.72 2k2j h GLU 109 N 0.00 -0.33 -0.05 1.11 4.57 -0.99 -2.52 114.58 116.37 2k2j h GLU 109 Ca -0.00 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 2k2j h GLU 109 Cb 0.51 0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.18 2k2j h GLU 109 CO 0.03 -0.10 -0.02 -1.49 -1.18 0.00 0.00 179.01 176.26 2k2j h TRP 110 N -1.04 0.11 -0.24 0.92 4.06 -1.33 -2.80 115.95 115.63 2k2j h TRP 110 Ca -0.04 -0.02 -0.10 0.00 2.06 0.00 0.00 58.89 60.79 2k2j h TRP 110 Cb 0.39 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.51 2k2j h TRP 110 CO 0.03 0.45 -0.27 0.74 -3.56 0.00 0.00 178.44 175.83 2k2j h PHE 111 N -0.27 0.52 -0.18 0.49 0.04 -1.37 -0.97 116.94 115.20 2k2j h PHE 111 Ca 0.01 -0.11 -0.09 0.00 2.80 0.00 0.00 57.97 60.58 2k2j h PHE 111 Cb 0.42 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 2k2j h PHE 111 CO 0.06 0.69 -0.27 0.37 -0.60 0.00 0.00 178.31 178.57 2k2j h GLN 112 N 0.41 0.33 -0.13 1.51 -0.00 -1.49 -1.54 115.11 114.20 2k2j h GLN 112 Ca 0.06 -0.12 -0.06 0.00 -0.00 0.00 0.00 58.65 58.53 2k2j h GLN 112 Cb 0.69 -0.02 -0.00 0.00 0.00 0.00 0.00 27.48 28.15 2k2j h GLN 112 CO 0.05 0.58 -0.16 1.03 0.00 0.00 0.00 178.83 180.33 2k2j h SER 113 N 0.30 0.37 -0.57 -0.69 0.87 -1.16 0.13 113.55 112.79 2k2j h SER 113 Ca 0.04 -0.50 0.08 0.00 -1.23 0.00 0.00 61.79 60.19 2k2j h SER 113 Cb 0.63 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.45 2k2j h SER 113 CO 0.05 0.79 0.38 0.40 -0.53 0.00 0.00 176.83 177.92 2k2j h ILE 114 N -0.05 0.92 0.00 2.23 2.04 -0.98 0.47 117.51 122.15 2k2j h ILE 114 Ca 0.02 -0.15 -0.23 0.00 1.00 0.00 0.00 64.86 65.50 2k2j h ILE 114 Cb 0.70 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 2k2j h ILE 114 CO 0.04 0.08 -0.95 0.03 0.00 0.00 0.00 178.15 177.35 2k2j h ARG 115 N 0.43 0.40 0.00 2.37 3.08 -1.08 -3.02 114.38 116.56 2k2j h ARG 115 Ca 0.26 -0.43 0.00 0.00 0.07 0.00 0.00 59.98 59.87 2k2j h ARG 115 Cb 0.46 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.63 2k2j h ARG 115 CO -0.07 1.10 0.08 0.93 -1.07 0.00 0.00 179.97 180.94 2k2j h GLU 116 N 0.22 0.00 0.00 0.04 4.39 0.15 0.99 114.58 120.38 2k2j h GLU 116 Ca -0.08 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.55 2k2j h GLU 116 Cb 1.59 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.22 2k2j h GLU 116 CO 0.16 0.00 -2.02 -0.89 -1.16 0.00 0.00 179.01 175.11 2k2j n ILE 117 N -2.73 0.25 -0.03 3.13 5.41 -1.01 -4.12 119.36 120.26 2k2j n ILE 117 Ca -0.02 -0.54 -0.06 0.00 1.00 0.00 0.00 62.75 63.13 2k2j n ILE 117 Cb 0.13 -0.07 -0.02 0.00 -0.71 0.00 0.00 39.64 38.97 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 -2.31 1.25 0.07 1.39 -2.24 -0.26 -4.61 114.28 107.58 2k2j n THR 118 Ca -0.09 0.19 0.16 0.00 -2.27 0.00 0.00 64.05 62.05 2k2j n THR 118 Cb 0.65 -1.91 0.67 0.00 -2.10 0.00 0.00 70.33 67.64 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 -0.49 0.01 -4.54 4.78 4.06 0.69 -3.40 115.95 117.06 2k2j h TRP 119 Ca -0.06 0.00 -0.68 0.00 2.06 0.00 0.00 58.89 60.21 2k2j h TRP 119 Cb 0.64 -0.00 -0.30 0.00 -1.00 0.00 0.00 29.16 28.49 2k2j h TRP 119 CO -0.18 0.00 -0.88 0.21 -3.56 0.00 0.00 178.44 174.03 2k2j s LYS 120 N -5.04 2.02 0.00 0.49 2.20 -0.98 -5.02 119.74 113.42 2k2j s LYS 120 Ca -0.05 -0.88 0.00 0.00 -0.36 0.00 0.00 55.97 54.68 2k2j s LYS 120 Cb 0.19 -1.94 0.00 0.00 -1.51 0.00 0.00 37.83 34.57 2k2j s LYS 120 CO 0.71 0.52 0.00 -0.89 -0.36 0.00 0.00 175.35 175.34 2k2j n ILE 121 N 2.50 0.00 -3.95 5.43 5.41 -1.26 -4.22 119.36 123.26 2k2j n ILE 121 Ca -0.16 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.29 2k2j n ILE 121 Cb 0.51 0.00 -0.16 0.00 -0.71 0.00 0.00 39.64 39.28 2k2j n ILE 121 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 2k2j s ASP 122 N 0.98 3.29 0.01 4.38 1.01 -1.26 -5.10 116.67 119.98 2k2j s ASP 122 Ca 0.00 -0.87 0.01 0.00 0.71 0.00 0.00 52.55 52.40 2k2j s ASP 122 Cb 0.00 -1.12 -0.04 0.00 1.01 0.00 0.00 42.92 42.78 2k2j s ASP 122 CO 0.00 -0.17 0.05 0.28 0.21 0.00 0.00 175.17 175.54 2k2j s THR 123 N 1.48 4.48 -2.33 -1.27 -1.32 -1.26 -5.34 115.64 110.08 2k2j s THR 123 Ca -0.01 -0.55 0.19 0.00 -1.21 0.00 0.00 61.69 60.10 2k2j s THR 123 Cb -0.16 -3.05 0.15 0.00 -1.51 0.00 0.00 72.50 67.92 2k2j s THR 123 CO -0.08 0.31 1.09 0.29 -2.21 0.00 0.00 174.62 174.03