#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 -4.68 0.00 -1.58 4.81 -1.26 -4.25 118.16 111.20 2k2j n LYS 9 Ca 0.00 3.51 0.00 0.00 -0.87 0.00 0.00 58.31 60.95 2k2j n LYS 9 Cb 0.00 -5.09 0.00 0.00 0.02 0.00 0.00 35.03 29.96 2k2j n LYS 9 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2k2j n ASP 10 N 1.74 0.00 -4.54 3.14 9.92 -1.26 -4.72 116.55 120.83 2k2j n ASP 10 Ca -0.43 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 53.55 2k2j n ASP 10 Cb 0.66 0.00 0.22 0.00 -0.64 0.00 0.00 41.12 41.36 2k2j n ASP 10 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2k2j s GLU 11 N 0.00 -0.36 -0.21 -1.24 2.02 -1.26 -5.05 118.70 112.60 2k2j s GLU 11 Ca 0.00 0.57 -0.04 0.00 0.02 0.00 0.00 54.97 55.52 2k2j s GLU 11 Cb 0.00 -1.64 0.07 0.00 0.10 0.00 0.00 34.13 32.66 2k2j s GLU 11 CO 0.00 -3.28 0.09 -1.58 0.02 0.00 0.00 175.26 170.51 2k2j s HIS 12 N -2.76 0.49 0.02 1.61 5.65 -1.26 -3.24 115.29 115.80 2k2j s HIS 12 Ca 0.67 -0.63 0.01 0.00 0.25 0.00 0.00 55.06 55.36 2k2j s HIS 12 Cb -0.21 -0.87 -0.02 0.00 -1.18 0.00 0.00 32.58 30.31 2k2j s HIS 12 CO 0.60 -0.62 -0.04 0.15 -0.65 0.00 0.00 174.74 174.19 2k2j s LYS 13 N 2.04 0.31 -0.68 2.88 1.02 -1.26 -4.92 119.74 119.13 2k2j s LYS 13 Ca 0.03 -0.48 -0.27 0.00 0.02 0.00 0.00 55.97 55.27 2k2j s LYS 13 Cb -0.16 -0.06 0.01 0.00 -0.52 0.00 0.00 37.83 37.10 2k2j s LYS 13 CO -0.15 0.00 1.46 -0.65 -0.92 0.00 0.00 175.35 175.09 2k2j s GLN 14 N -1.07 3.05 -0.03 1.68 -1.52 -1.26 -4.34 119.66 116.16 2k2j s GLN 14 Ca -0.10 0.09 0.03 0.00 -1.95 0.00 0.00 55.36 53.43 2k2j s GLN 14 Cb -0.07 -4.23 0.00 0.00 -0.22 0.00 0.00 33.01 28.49 2k2j s GLN 14 CO -0.00 -2.29 -0.10 -0.65 -0.25 0.00 0.00 175.29 172.00 2k2j s GLN 15 N 6.07 1.12 0.00 2.91 -0.21 -1.26 -1.38 119.66 126.91 2k2j s GLN 15 Ca 0.46 -0.36 0.00 0.00 0.02 0.00 0.00 55.36 55.48 2k2j s GLN 15 Cb -0.10 -1.03 0.00 0.00 1.00 0.00 0.00 33.01 32.89 2k2j s GLN 15 CO 0.18 0.13 0.00 0.41 -2.12 0.00 0.00 175.29 173.89 2k2j n GLY 16 N 3.29 -0.73 3.10 3.09 0.00 -0.72 -5.01 105.19 108.21 2k2j n GLY 16 Ca -0.18 0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.37 1.48 0.13 1.61 2.02 -1.26 -1.53 118.70 120.78 2k2j s GLU 17 Ca 0.00 -0.52 0.02 0.00 0.02 0.00 0.00 54.97 54.49 2k2j s GLU 17 Cb 0.00 -1.32 -0.04 0.00 0.10 0.00 0.00 34.13 32.86 2k2j s GLU 17 CO 0.00 0.22 -0.04 -0.51 0.02 0.00 0.00 175.26 174.95 2k2j s LEU 18 N 0.02 2.35 -0.10 1.80 1.43 -0.78 -4.96 118.68 118.44 2k2j s LEU 18 Ca -0.02 -1.07 -0.04 0.00 -1.03 0.00 0.00 54.13 51.97 2k2j s LEU 18 Cb -0.10 -0.07 -0.04 0.00 0.03 0.00 0.00 46.19 46.02 2k2j s LEU 18 CO 0.01 -0.50 0.05 -0.31 0.23 0.00 0.00 176.35 175.83 2k2j s TYR 19 N -3.64 3.31 -0.01 0.29 1.51 -1.20 -2.22 117.35 115.40 2k2j s TYR 19 Ca 0.17 0.30 0.01 0.00 -1.01 0.00 0.00 57.07 56.54 2k2j s TYR 19 Cb 0.05 -1.86 0.00 0.00 -0.11 0.00 0.00 41.96 40.05 2k2j s TYR 19 CO -0.01 0.54 -0.04 -1.64 -1.11 0.00 0.00 175.55 173.28 2k2j s MET 20 N -0.85 0.40 0.14 -0.62 -1.94 -1.26 -2.21 119.30 112.97 2k2j s MET 20 Ca 0.13 -0.14 -0.32 0.00 -1.71 0.00 0.00 55.69 53.66 2k2j s MET 20 Cb -0.12 -0.41 -0.11 0.00 2.01 0.00 0.00 34.83 36.20 2k2j s MET 20 CO 0.03 0.06 1.79 1.87 -0.01 0.00 0.00 175.02 178.76 2k2j n TRP 21 N 3.16 2.62 -3.74 -0.03 -0.00 -0.72 -4.22 117.44 114.51 2k2j n TRP 21 Ca -0.15 -0.06 -0.37 0.00 -0.00 0.00 0.00 57.50 56.92 2k2j n TRP 21 Cb 0.57 -2.70 -0.11 0.00 -0.00 0.00 0.00 31.31 29.07 2k2j n TRP 21 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 2k2j s ASP 22 N 2.19 5.32 0.00 5.87 1.01 -0.92 -4.83 116.67 125.30 2k2j s ASP 22 Ca 0.80 -1.70 0.27 0.00 0.71 0.00 0.00 52.55 52.63 2k2j s ASP 22 Cb -0.51 -1.86 1.50 0.00 1.01 0.00 0.00 42.92 43.06 2k2j s ASP 22 CO 0.36 -0.49 1.95 -1.54 0.21 0.00 0.00 175.17 175.66 2k2j n SER 23 N 4.71 0.00 -0.02 0.27 3.41 -1.26 0.38 113.62 121.11 2k2j n SER 23 Ca -0.07 -0.51 -0.15 0.00 -0.26 0.00 0.00 58.87 57.88 2k2j n SER 23 Cb 0.42 -0.13 -0.11 0.00 -0.26 0.00 0.00 64.21 64.14 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 1.48 -0.00 -1.33 2.04 -1.95 -3.35 117.51 114.39 2k2j h ILE 24 Ca 0.00 -1.84 0.00 0.00 1.00 0.00 0.00 64.86 64.02 2k2j h ILE 24 Cb 0.11 2.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.75 2k2j h ILE 24 CO 0.00 0.52 -0.00 0.47 0.00 0.00 0.00 178.15 179.13 2k2j n ASP 25 N -4.46 1.23 -3.20 1.72 8.00 -1.22 -5.04 116.55 113.58 2k2j n ASP 25 Ca -0.09 -1.11 -0.09 0.00 0.71 0.00 0.00 54.79 54.20 2k2j n ASP 25 Cb 0.51 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 2k2j n ASP 25 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k2j n GLN 26 N 0.14 -1.60 -3.86 -1.24 1.13 0.16 -5.02 117.38 107.09 2k2j n GLN 26 Ca 0.02 1.46 -0.01 0.00 -1.94 0.00 0.00 57.00 56.53 2k2j n GLN 26 Cb 0.07 -4.82 0.01 0.00 0.11 0.00 0.00 30.24 25.62 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 -3.28 0.92 -0.16 -1.09 -2.85 -0.99 -5.00 119.74 107.29 2k2j s LYS 27 Ca 0.07 -0.57 -0.06 0.00 -1.00 0.00 0.00 55.97 54.41 2k2j s LYS 27 Cb -0.02 0.27 -0.04 0.00 -2.06 0.00 0.00 37.83 35.99 2k2j s LYS 27 CO 0.79 -0.43 0.03 -1.58 0.10 0.00 0.00 175.35 174.26 2k2j s TRP 28 N -2.28 3.19 0.33 1.78 0.52 -1.26 -2.16 118.94 119.06 2k2j s TRP 28 Ca 0.22 0.01 0.06 0.00 0.02 0.00 0.00 56.10 56.40 2k2j s TRP 28 Cb -0.01 -2.00 -0.07 0.00 -1.15 0.00 0.00 33.47 30.25 2k2j s TRP 28 CO 0.02 0.17 0.01 0.95 0.02 0.00 0.00 176.95 178.12 2k2j s THR 29 N 0.12 1.55 -0.22 2.01 -4.23 -1.26 -5.04 115.64 108.56 2k2j s THR 29 Ca 0.03 -2.05 -0.15 0.00 -1.18 0.00 0.00 61.69 58.35 2k2j s THR 29 Cb -0.13 -2.73 -0.04 0.00 1.34 0.00 0.00 72.50 70.94 2k2j s THR 29 CO 0.01 -0.10 0.35 -0.60 -0.54 0.00 0.00 174.62 173.75 2k2j s ARG 30 N -3.79 4.12 0.05 3.99 3.52 -1.26 -4.06 118.95 121.52 2k2j s ARG 30 Ca 0.34 0.08 0.09 0.00 -0.13 0.00 0.00 55.73 56.12 2k2j s ARG 30 Cb 0.07 -3.56 -0.03 0.00 -1.56 0.00 0.00 34.95 29.87 2k2j s ARG 30 CO 0.15 -0.08 -0.26 -1.01 -0.81 0.00 0.00 175.30 173.29 2k2j s HIS 31 N 1.44 2.28 -0.66 5.12 3.76 -0.94 -3.35 115.29 122.94 2k2j s HIS 31 Ca 0.16 -0.41 -0.16 0.00 -0.15 0.00 0.00 55.06 54.50 2k2j s HIS 31 Cb -0.15 -1.35 0.16 0.00 1.11 0.00 0.00 32.58 32.34 2k2j s HIS 31 CO 0.08 0.14 0.65 -0.47 -0.85 0.00 0.00 174.74 174.29 2k2j s TYR 32 N -0.83 3.38 0.37 1.40 5.04 -1.26 -1.86 117.35 123.59 2k2j s TYR 32 Ca 0.12 -1.48 0.08 0.00 -2.44 0.00 0.00 57.07 53.34 2k2j s TYR 32 Cb -0.10 -3.86 -0.03 0.00 0.35 0.00 0.00 41.96 38.32 2k2j s TYR 32 CO 0.02 -1.07 0.32 0.00 -1.34 0.00 0.00 175.55 173.48 2k2j s ALA 34 N -2.38 -1.81 -0.46 0.00 0.00 -0.53 -1.76 121.76 114.82 2k2j s ALA 34 Ca 0.44 2.31 -0.23 0.00 0.00 0.00 0.00 51.96 54.48 2k2j s ALA 34 Cb -0.04 -1.36 0.03 0.00 0.00 0.00 0.00 23.12 21.75 2k2j s ALA 34 CO 0.27 -0.37 0.79 0.42 0.00 0.00 0.00 175.76 176.87 2k2j s ILE 35 N 1.44 4.64 -0.25 0.00 1.01 -0.48 -2.18 121.20 125.39 2k2j s ILE 35 Ca -0.09 0.36 -0.07 0.00 0.00 0.00 0.00 60.65 60.85 2k2j s ILE 35 Cb -0.05 -4.34 -0.02 0.00 0.01 0.00 0.00 42.46 38.06 2k2j s ILE 35 CO -0.17 -0.75 0.06 0.00 0.00 0.00 0.00 174.94 174.08 2k2j s ALA 36 N 3.30 3.11 0.00 9.38 0.00 -0.06 -4.49 121.76 133.00 2k2j s ALA 36 Ca 0.29 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 51.09 2k2j s ALA 36 Cb -0.13 -2.04 0.00 0.00 0.00 0.00 0.00 23.12 20.96 2k2j s ALA 36 CO 0.22 -0.52 0.00 -0.25 0.00 0.00 0.00 175.76 175.21 2k2j n ASP 37 N 4.90 0.00 0.00 0.00 9.92 -1.26 -1.42 116.55 128.69 2k2j n ASP 37 Ca -0.16 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.10 2k2j n ASP 37 Cb 0.51 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.99 2k2j n ASP 37 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k2j n ALA 38 N 2.43 0.11 -2.76 2.24 0.00 -1.26 -5.10 120.51 116.17 2k2j n ALA 38 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2k2j n ALA 38 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.08 3.56 -0.26 0.00 1.02 -0.51 -4.49 119.74 118.99 2k2j s LYS 39 Ca 0.00 -0.18 -0.05 0.00 0.02 0.00 0.00 55.97 55.76 2k2j s LYS 39 Cb 0.00 -2.95 0.00 0.00 -0.52 0.00 0.00 37.83 34.36 2k2j s LYS 39 CO 0.00 0.55 0.02 -1.17 -0.92 0.00 0.00 175.35 173.83 2k2j s LEU 40 N -2.41 3.42 -0.21 3.17 2.96 -0.85 -0.88 118.68 123.88 2k2j s LEU 40 Ca 0.36 -0.56 -0.04 0.00 -0.22 0.00 0.00 54.13 53.67 2k2j s LEU 40 Cb -0.13 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 2k2j s LEU 40 CO 0.24 -0.11 -0.02 -0.44 -1.32 0.00 0.00 176.35 174.70 2k2j s SER 41 N 1.49 4.55 -0.02 3.68 0.01 -0.93 -0.41 113.70 122.07 2k2j s SER 41 Ca 0.04 -0.30 0.01 0.00 1.31 0.00 0.00 55.95 57.00 2k2j s SER 41 Cb -0.16 -1.78 -0.04 0.00 0.21 0.00 0.00 66.02 64.26 2k2j s SER 41 CO 0.00 0.02 -0.01 0.72 0.41 0.00 0.00 173.24 174.38 2k2j s PHE 42 N 1.26 3.07 0.57 2.43 -0.71 -0.74 -1.46 117.98 122.41 2k2j s PHE 42 Ca 0.03 0.09 0.07 0.00 -1.04 0.00 0.00 56.93 56.07 2k2j s PHE 42 Cb -0.14 -1.68 0.07 0.00 -1.21 0.00 0.00 43.02 40.05 2k2j s PHE 42 CO -0.00 0.45 0.78 0.45 -1.34 0.00 0.00 175.22 175.56 2k2j s SER 43 N -1.42 5.09 0.84 1.98 0.15 -0.37 -0.89 113.70 119.07 2k2j s SER 43 Ca 0.18 -0.59 -0.12 0.00 0.70 0.00 0.00 55.95 56.13 2k2j s SER 43 Cb -0.11 -0.07 0.09 0.00 -1.71 0.00 0.00 66.02 64.22 2k2j s SER 43 CO 0.09 -1.30 1.10 1.51 1.20 0.00 0.00 173.24 175.83 2k2j s ASP 44 N -4.59 4.08 0.52 5.45 -4.77 -1.26 -4.11 116.67 111.98 2k2j s ASP 44 Ca 0.61 1.33 -0.20 0.00 -3.30 0.00 0.00 52.55 50.98 2k2j s ASP 44 Cb -0.07 -2.03 -0.09 0.00 -1.09 0.00 0.00 42.92 39.64 2k2j s ASP 44 CO 0.39 -2.23 0.77 0.47 0.70 0.00 0.00 175.17 175.27 2k2j n ASP 45 N -3.60 0.06 -0.34 2.11 8.00 -1.26 -4.39 116.55 117.13 2k2j n ASP 45 Ca 0.07 0.86 0.04 0.00 0.71 0.00 0.00 54.79 56.47 2k2j n ASP 45 Cb 0.56 -1.27 0.05 0.00 -0.02 0.00 0.00 41.12 40.44 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 -1.26 0.17 0.00 0.53 -5.35 -1.21 -4.68 119.36 107.55 2k2j n ILE 46 Ca 0.12 -0.58 0.00 0.00 -0.27 0.00 0.00 62.75 62.01 2k2j n ILE 46 Cb 0.44 1.05 0.00 0.00 -1.74 0.00 0.00 39.64 39.39 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 0.41 0.00 -1.21 6.28 0.28 -1.26 -4.93 120.64 120.20 2k2j n GLU 47 Ca 0.05 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.78 2k2j n GLU 47 Cb 0.23 0.00 0.13 0.00 1.43 0.00 0.00 31.44 33.23 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 -0.85 2.36 0.08 3.44 6.02 -1.26 -4.64 117.38 122.53 2k2j n GLN 48 Ca 0.00 -2.96 -0.12 0.00 -0.01 0.00 0.00 57.00 53.92 2k2j n GLN 48 Cb 0.00 -2.16 -0.05 0.00 1.02 0.00 0.00 30.24 29.05 2k2j n GLN 48 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 2k2j h THR 49 N 0.97 0.53 -3.61 5.09 1.35 -1.92 -3.46 112.91 111.86 2k2j h THR 49 Ca 0.59 0.00 -0.35 0.00 -0.55 0.00 0.00 66.41 66.10 2k2j h THR 49 Cb 1.94 0.53 -0.01 0.00 -1.73 0.00 0.00 68.15 68.88 2k2j h THR 49 CO 1.25 0.00 -0.46 0.23 -0.25 0.00 0.00 175.52 176.28 2k2j n MET 50 N -5.33 -2.34 -1.67 4.72 2.81 -1.26 -4.88 117.12 109.17 2k2j n MET 50 Ca -0.06 0.82 -0.44 0.00 -1.81 0.00 0.00 57.70 56.21 2k2j n MET 50 Cb 0.24 -5.49 -0.02 0.00 -0.71 0.00 0.00 33.22 27.25 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 -3.09 2.01 0.16 0.03 1.02 -1.26 -4.94 120.64 114.57 2k2j n GLU 51 Ca -0.18 0.71 -0.07 0.00 -0.02 0.00 0.00 57.16 57.60 2k2j n GLU 51 Cb 0.64 -2.32 -0.03 0.00 -0.02 0.00 0.00 31.44 29.71 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 3.46 -0.43 -0.16 3.49 4.81 -2.02 -3.37 114.58 120.36 2k2j h GLU 52 Ca -0.45 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 2k2j h GLU 52 Cb 1.28 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.76 2k2j h GLU 52 CO 0.70 -0.29 0.00 -3.47 -0.73 0.00 0.00 179.01 175.22 2k2j n ASP 53 N -4.08 2.94 -3.15 1.04 2.03 -1.26 -5.01 116.55 109.06 2k2j n ASP 53 Ca -0.06 -2.65 -0.03 0.00 0.52 0.00 0.00 54.79 52.58 2k2j n ASP 53 Cb 0.18 -0.35 0.00 0.00 -0.72 0.00 0.00 41.12 40.22 2k2j n ASP 53 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2k2j n ASN 54 N -0.55 -7.44 -3.39 1.67 4.05 -1.26 -5.02 115.26 103.32 2k2j n ASN 54 Ca 0.14 -0.18 0.00 0.00 0.45 0.00 0.00 54.58 54.99 2k2j n ASN 54 Cb 0.61 -4.87 0.00 0.00 1.23 0.00 0.00 39.78 36.75 2k2j n ASN 54 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 2k2j n PRO 55 N -1.88 0.63 0.00 1.20 -0.02 -1.26 -4.98 135.00 128.69 2k2j n PRO 55 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 2k2j n PRO 55 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 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 0.00 0.00 -2.90 2.45 7.94 -1.26 -4.98 117.00 118.25 2k2j n LEU 56 Ca 0.00 0.98 -0.07 0.00 -1.11 0.00 0.00 56.01 55.81 2k2j n LEU 56 Cb 0.00 -0.48 0.01 0.00 0.53 0.00 0.00 43.42 43.48 2k2j n LEU 56 CO 0.00 -0.48 0.11 0.61 -1.11 0.00 0.00 177.39 176.52 2k2j n GLY 57 N -0.98 -1.29 4.04 -3.96 0.00 -1.26 -5.04 105.19 96.69 2k2j n GLY 57 Ca 0.00 1.10 -0.20 0.00 0.00 0.00 0.00 46.02 46.92 2k2j n GLY 57 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k2j s SER 58 N -2.68 5.05 0.58 1.61 0.01 -1.26 -5.02 113.70 111.99 2k2j s SER 58 Ca 0.20 -0.85 -0.18 0.00 1.31 0.00 0.00 55.95 56.43 2k2j s SER 58 Cb -0.05 0.33 -0.04 0.00 0.21 0.00 0.00 66.02 66.47 2k2j s SER 58 CO 0.77 -1.39 1.12 -0.22 0.41 0.00 0.00 173.24 173.93 2k2j s LEU 59 N -4.70 3.62 -0.26 2.44 2.96 -1.26 -4.36 118.68 117.12 2k2j s LEU 59 Ca 0.62 2.10 -0.03 0.00 -0.22 0.00 0.00 54.13 56.60 2k2j s LEU 59 Cb -0.05 -4.57 0.01 0.00 0.50 0.00 0.00 46.19 42.08 2k2j s LEU 59 CO 0.39 -1.35 0.06 0.00 -1.32 0.00 0.00 176.35 174.14 2k2j n ARG 61 N 0.99 0.85 0.00 0.00 5.12 -0.07 -4.96 116.66 118.59 2k2j n ARG 61 Ca -0.10 -0.55 0.00 0.00 -1.93 0.00 0.00 57.85 55.27 2k2j n ARG 61 Cb 0.17 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.98 2k2j n ARG 61 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k2j n GLY 62 N 1.37 1.34 2.78 -0.13 0.00 -1.22 -5.04 105.19 104.28 2k2j n GLY 62 Ca 0.11 -0.62 -0.17 0.00 0.00 0.00 0.00 46.02 45.34 2k2j n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k2j s ILE 63 N -2.00 -0.10 -0.47 -0.61 1.01 -1.26 -1.78 121.20 115.98 2k2j s ILE 63 Ca 0.00 0.30 -0.24 0.00 0.00 0.00 0.00 60.65 60.71 2k2j s ILE 63 Cb 0.00 -0.16 0.03 0.00 0.01 0.00 0.00 42.46 42.34 2k2j s ILE 63 CO 0.00 0.12 0.83 -0.76 0.00 0.00 0.00 174.94 175.14 2k2j s LEU 64 N 1.61 4.21 0.58 2.97 2.01 0.45 -4.90 118.68 125.61 2k2j s LEU 64 Ca -0.03 -0.14 0.30 0.00 0.01 0.00 0.00 54.13 54.27 2k2j s LEU 64 Cb -0.12 -2.96 1.40 0.00 0.01 0.00 0.00 46.19 44.52 2k2j s LEU 64 CO -0.04 -1.00 1.78 0.44 1.01 0.00 0.00 176.35 178.54 2k2j h ASP 65 N 9.06 0.00 -0.50 2.29 5.19 -1.90 -2.25 116.42 128.30 2k2j h ASP 65 Ca -0.25 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.02 2k2j h ASP 65 Cb 1.08 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.53 2k2j h ASP 65 CO 1.00 0.00 -0.13 0.18 -3.12 0.00 0.00 179.24 177.16 2k2j n LEU 66 N -3.75 -0.05 -0.00 1.55 4.77 -1.26 -4.35 117.00 113.91 2k2j n LEU 66 Ca 0.15 0.18 0.05 0.00 -0.03 0.00 0.00 56.01 56.36 2k2j n LEU 66 Cb 0.95 -2.24 -0.07 0.00 -2.33 0.00 0.00 43.42 39.73 2k2j n LEU 66 CO 0.30 -0.84 -0.20 0.59 -1.33 0.00 0.00 177.39 175.91 2k2j n ASN 67 N -0.52 1.09 -3.14 -1.43 5.03 -1.26 -3.89 115.26 111.14 2k2j n ASN 67 Ca -0.07 -0.53 -0.20 0.00 0.87 0.00 0.00 54.58 54.66 2k2j n ASN 67 Cb 0.47 1.14 -0.04 0.00 -1.02 0.00 0.00 39.78 40.33 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 -1.42 -0.38 -4.01 3.41 -2.24 -1.26 -5.04 114.28 103.33 2k2j n THR 68 Ca 0.01 -3.99 -0.10 0.00 -2.27 0.00 0.00 64.05 57.70 2k2j n THR 68 Cb 0.19 -0.81 -0.05 0.00 -2.10 0.00 0.00 70.33 67.56 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 -1.56 0.48 -0.04 4.78 2.02 -1.26 -0.29 117.35 121.49 2k2j s TYR 69 Ca 0.36 -0.83 0.01 0.00 -0.37 0.00 0.00 57.07 56.24 2k2j s TYR 69 Cb 0.26 0.14 0.02 0.00 -0.40 0.00 0.00 41.96 41.99 2k2j s TYR 69 CO -0.10 -1.02 -0.03 -0.80 -1.57 0.00 0.00 175.55 172.04 2k2j s ASN 70 N -3.05 0.79 -0.13 2.29 0.01 0.60 -4.85 114.94 110.59 2k2j s ASN 70 Ca 0.24 -0.09 -0.13 0.00 -0.71 0.00 0.00 52.86 52.17 2k2j s ASN 70 Cb -0.00 -0.37 -0.05 0.00 0.41 0.00 0.00 41.25 41.24 2k2j s ASN 70 CO 0.11 -0.08 0.29 -0.69 -1.51 0.00 0.00 177.10 175.21 2k2j s VAL 71 N 1.00 5.29 -0.05 1.60 1.01 -1.26 -0.32 120.40 127.67 2k2j s VAL 71 Ca -0.10 0.54 -0.02 0.00 0.00 0.00 0.00 61.98 62.40 2k2j s VAL 71 Cb -0.14 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.66 2k2j s VAL 71 CO -0.01 0.45 0.04 0.68 0.00 0.00 0.00 175.10 176.26 2k2j s VAL 72 N 0.00 0.06 -0.58 2.92 -7.23 -0.72 -4.97 120.40 109.88 2k2j s VAL 72 Ca 0.17 0.31 -0.28 0.00 -1.81 0.00 0.00 61.98 60.38 2k2j s VAL 72 Cb -0.13 -0.28 0.02 0.00 0.56 0.00 0.00 36.38 36.55 2k2j s VAL 72 CO 0.05 0.20 1.38 -0.75 -0.31 0.00 0.00 175.10 175.67 2k2j s LYS 73 N 2.04 3.31 -0.10 4.82 2.20 -1.26 -0.94 119.74 129.81 2k2j s LYS 73 Ca 0.04 0.36 -0.30 0.00 -0.36 0.00 0.00 55.97 55.72 2k2j s LYS 73 Cb -0.12 -4.12 -0.04 0.00 -1.51 0.00 0.00 37.83 32.04 2k2j s LYS 73 CO -0.04 -1.94 1.46 0.00 -0.36 0.00 0.00 175.35 174.48 2k2j s ALA 74 N 5.93 3.63 -0.01 3.13 0.00 0.40 -4.95 121.76 129.89 2k2j s ALA 74 Ca 0.50 0.73 -0.06 0.00 0.00 0.00 0.00 51.96 53.12 2k2j s ALA 74 Cb -0.10 -3.68 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 2k2j s ALA 74 CO 0.24 -1.25 0.54 -1.35 0.00 0.00 0.00 175.76 173.93 2k2j h PRO 75 N 8.80 -0.23 -1.06 0.00 0.11 -1.83 -2.97 132.00 134.82 2k2j h PRO 75 Ca -0.34 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2k2j h PRO 75 Cb 1.15 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2k2j h PRO 75 CO 0.96 -0.15 0.00 0.94 -0.21 0.00 0.00 178.00 179.54 2k2j n GLN 76 N -3.23 0.98 0.00 1.05 7.27 -1.26 -4.55 117.38 117.64 2k2j n GLN 76 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.04 2k2j n GLN 76 Cb 0.09 -1.01 0.00 0.00 2.41 0.00 0.00 30.24 31.73 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 0.56 1.59 0.84 1.69 0.00 -1.04 -4.81 105.19 104.01 2k2j n GLY 77 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2k2j n GLY 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k2j n LYS 78 N 5.50 0.00 -3.52 1.61 5.02 -1.25 -4.92 118.16 120.60 2k2j n LYS 78 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 2k2j n LYS 78 Cb 0.00 -0.06 -0.14 0.00 -0.02 0.00 0.00 35.03 34.81 2k2j n LYS 78 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2k2j s ASN 79 N -1.92 3.40 -1.35 4.39 0.01 -1.26 -4.86 114.94 113.36 2k2j s ASN 79 Ca 0.00 -1.41 0.00 0.00 -0.71 0.00 0.00 52.86 50.74 2k2j s ASN 79 Cb 0.00 -0.33 0.00 0.00 0.41 0.00 0.00 41.25 41.33 2k2j s ASN 79 CO 0.00 -0.42 0.00 0.00 -1.51 0.00 0.00 177.10 175.17 2k2j n GLN 80 N 5.07 -1.40 -4.46 -0.60 6.02 -1.26 -4.92 117.38 115.83 2k2j n GLN 80 Ca -0.03 0.79 -0.23 0.00 -0.01 0.00 0.00 57.00 57.52 2k2j n GLN 80 Cb 0.41 -5.02 -0.10 0.00 1.02 0.00 0.00 30.24 26.56 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 -3.00 1.65 -0.11 -1.09 -0.14 -1.26 -5.06 119.74 110.73 2k2j s LYS 81 Ca 0.00 -1.77 -0.04 0.00 -1.36 0.00 0.00 55.97 52.80 2k2j s LYS 81 Cb 0.00 -1.66 -0.05 0.00 -1.68 0.00 0.00 37.83 34.44 2k2j s LYS 81 CO 0.00 0.28 -0.13 0.45 -0.76 0.00 0.00 175.35 175.19 2k2j n SER 82 N -0.61 1.19 -4.30 2.83 2.88 -1.26 -3.75 113.62 110.61 2k2j n SER 82 Ca -0.05 0.10 -0.45 0.00 -1.33 0.00 0.00 58.87 57.14 2k2j n SER 82 Cb 0.61 -0.29 -0.06 0.00 -0.75 0.00 0.00 64.21 63.72 2k2j n SER 82 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2k2j s PHE 83 N -2.20 3.28 0.15 0.66 0.08 -1.26 -2.48 117.98 116.21 2k2j s PHE 83 Ca -0.15 -1.35 0.08 0.00 0.12 0.00 0.00 56.93 55.63 2k2j s PHE 83 Cb 0.05 -3.66 -0.04 0.00 -0.57 0.00 0.00 43.02 38.81 2k2j s PHE 83 CO 0.20 -0.99 -0.17 0.08 -0.10 0.00 0.00 175.22 174.24 2k2j s VAL 84 N 1.56 1.70 -0.04 -0.44 1.01 -1.12 -3.91 120.40 119.16 2k2j s VAL 84 Ca 0.04 -1.86 0.01 0.00 0.00 0.00 0.00 61.98 60.17 2k2j s VAL 84 Cb -0.29 -1.76 0.02 0.00 0.00 0.00 0.00 36.38 34.36 2k2j s VAL 84 CO 0.03 -0.33 -0.02 -0.36 0.00 0.00 0.00 175.10 174.42 2k2j s PHE 85 N -2.04 0.52 -0.10 5.22 0.40 -0.99 0.15 117.98 121.14 2k2j s PHE 85 Ca 0.14 -0.10 -0.00 0.00 -0.60 0.00 0.00 56.93 56.37 2k2j s PHE 85 Cb -0.06 -0.53 -0.03 0.00 0.51 0.00 0.00 43.02 42.92 2k2j s PHE 85 CO 0.06 -0.16 -0.07 0.42 0.70 0.00 0.00 175.22 176.16 2k2j s ILE 86 N 0.97 3.63 -0.23 0.64 1.01 -0.11 -1.02 121.20 126.09 2k2j s ILE 86 Ca -0.10 -0.49 -0.11 0.00 0.00 0.00 0.00 60.65 59.95 2k2j s ILE 86 Cb -0.14 -2.51 -0.05 0.00 0.01 0.00 0.00 42.46 39.77 2k2j s ILE 86 CO -0.01 0.56 0.18 -0.76 0.00 0.00 0.00 174.94 174.91 2k2j s LEU 87 N -0.37 4.14 -0.35 2.97 1.43 -0.27 -1.75 118.68 124.48 2k2j s LEU 87 Ca 0.05 0.17 -0.04 0.00 -1.03 0.00 0.00 54.13 53.28 2k2j s LEU 87 Cb -0.12 -2.14 0.07 0.00 0.03 0.00 0.00 46.19 44.02 2k2j s LEU 87 CO 0.02 0.07 0.11 -1.61 0.23 0.00 0.00 176.35 175.18 2k2j s GLU 88 N 0.95 2.37 0.77 1.70 2.02 0.56 -2.41 118.70 124.65 2k2j s GLU 88 Ca 0.09 -1.43 -0.15 0.00 0.02 0.00 0.00 54.97 53.50 2k2j s GLU 88 Cb -0.13 -3.43 0.03 0.00 0.10 0.00 0.00 34.13 30.70 2k2j s GLU 88 CO 0.04 -0.80 0.99 -0.35 0.02 0.00 0.00 175.26 175.16 2k2j n PRO 89 N 4.69 0.34 0.00 0.39 -0.04 -1.26 -0.29 135.00 138.83 2k2j n PRO 89 Ca -0.09 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2k2j n PRO 89 Cb 0.43 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 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 -2.27 -0.29 0.34 0.54 5.02 0.61 -4.82 118.16 117.29 2k2j n LYS 90 Ca 0.13 -0.45 -0.17 0.00 -2.02 0.00 0.00 58.31 55.80 2k2j n LYS 90 Cb 0.50 -0.83 -0.09 0.00 -0.02 0.00 0.00 35.03 34.60 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 -0.81 0.00 1.97 4.15 -1.93 -3.48 115.11 115.00 2k2j h GLN 91 Ca 0.00 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.48 2k2j h GLN 91 Cb 0.24 0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.12 2k2j h GLN 91 CO 0.00 -0.51 0.00 1.04 -1.93 0.00 0.00 178.83 177.43 2k2j n GLN 92 N -5.42 0.00 -1.19 1.69 6.02 -1.26 -5.00 117.38 112.22 2k2j n GLN 92 Ca -0.13 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 56.91 2k2j n GLN 92 Cb 0.36 0.00 0.06 0.00 1.02 0.00 0.00 30.24 31.68 2k2j n GLN 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k2j n GLY 93 N -0.83 2.00 3.69 1.08 0.00 -1.26 -5.10 105.19 104.77 2k2j n GLY 93 Ca 0.00 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.23 3.22 0.19 1.61 1.11 -1.26 -5.00 116.67 114.30 2k2j s ASP 94 Ca 0.32 2.15 -0.19 0.00 0.18 0.00 0.00 52.55 55.01 2k2j s ASP 94 Cb 0.35 -2.56 -0.08 0.00 1.07 0.00 0.00 42.92 41.71 2k2j s ASP 94 CO -0.13 -2.91 0.68 -2.16 1.18 0.00 0.00 175.17 171.83 2k2j s PRO 95 N -4.65 4.22 0.93 8.23 0.04 -1.26 -4.73 135.00 137.79 2k2j s PRO 95 Ca 0.66 0.81 -0.12 0.00 0.04 0.00 0.00 61.00 62.39 2k2j s PRO 95 Cb -0.22 -2.97 0.15 0.00 0.04 0.00 0.00 34.50 31.50 2k2j s PRO 95 CO 0.57 0.46 1.10 -2.14 0.04 0.00 0.00 177.00 177.02 2k2j s PRO 96 N -1.80 0.95 -0.03 0.56 0.02 -1.26 -4.73 135.00 128.72 2k2j s PRO 96 Ca 0.40 0.63 -0.01 0.00 0.02 0.00 0.00 61.00 62.04 2k2j s PRO 96 Cb -0.17 -1.79 0.03 0.00 0.02 0.00 0.00 34.50 32.59 2k2j s PRO 96 CO 0.21 -2.40 0.04 0.08 -0.33 0.00 0.00 177.00 174.59 2k2j s VAL 97 N -3.00 -0.05 0.04 3.83 1.01 -1.01 -4.97 120.40 116.25 2k2j s VAL 97 Ca 0.64 0.29 -0.11 0.00 0.00 0.00 0.00 61.98 62.80 2k2j s VAL 97 Cb -0.18 -0.13 -0.06 0.00 0.00 0.00 0.00 36.38 36.02 2k2j s VAL 97 CO 0.57 0.13 0.37 -1.61 0.00 0.00 0.00 175.10 174.56 2k2j s GLU 98 N 1.50 3.76 0.18 2.72 8.01 -1.26 -1.11 118.70 132.51 2k2j s GLU 98 Ca -0.03 0.20 0.05 0.00 0.01 0.00 0.00 54.97 55.19 2k2j s GLU 98 Cb -0.13 -3.08 -0.05 0.00 -4.31 0.00 0.00 34.13 26.56 2k2j s GLU 98 CO -0.03 0.62 -0.09 -0.06 0.01 0.00 0.00 175.26 175.71 2k2j s PHE 99 N -1.27 1.44 0.20 1.61 0.40 -0.19 -1.75 117.98 118.41 2k2j s PHE 99 Ca 0.29 -0.75 -0.21 0.00 -0.60 0.00 0.00 56.93 55.65 2k2j s PHE 99 Cb -0.14 -0.75 0.05 0.00 0.51 0.00 0.00 43.02 42.69 2k2j s PHE 99 CO 0.16 0.12 0.61 0.00 0.70 0.00 0.00 175.22 176.81 2k2j s ALA 100 N -3.26 -1.37 0.02 5.36 0.00 -0.94 -2.34 121.76 119.22 2k2j s ALA 100 Ca 0.21 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.32 2k2j s ALA 100 Cb 0.03 0.87 -0.00 0.00 0.00 0.00 0.00 23.12 24.01 2k2j s ALA 100 CO 0.04 -0.84 0.01 0.25 0.00 0.00 0.00 175.76 175.22 2k2j n THR 101 N -0.39 0.00 -0.45 0.00 -2.24 -1.25 -3.21 114.28 106.74 2k2j n THR 101 Ca -0.12 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2k2j n THR 101 Cb 0.63 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 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 -2.85 0.76 -3.85 3.42 9.92 -1.26 -4.90 116.55 117.79 2k2j n ASP 102 Ca 0.00 -1.20 -0.11 0.00 -0.53 0.00 0.00 54.79 52.95 2k2j n ASP 102 Cb 0.03 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.41 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 -0.20 0.56 0.33 -1.24 1.81 -1.26 -5.04 118.95 113.91 2k2j s ARG 103 Ca 0.00 -0.42 0.14 0.00 -1.72 0.00 0.00 55.73 53.73 2k2j s ARG 103 Cb 0.00 0.23 0.57 0.00 -0.45 0.00 0.00 34.95 35.31 2k2j s ARG 103 CO 0.00 -0.14 1.71 -0.39 -0.68 0.00 0.00 175.30 175.80 2k2j h VAL 104 N 4.03 1.21 0.14 3.52 -1.51 -1.99 -2.37 116.25 119.28 2k2j h VAL 104 Ca -0.31 -1.70 -0.01 0.00 -1.23 0.00 0.00 66.70 63.46 2k2j h VAL 104 Cb 1.19 1.95 0.00 0.00 -2.13 0.00 0.00 31.29 32.30 2k2j h VAL 104 CO 0.42 0.46 -0.07 -0.33 -1.23 0.00 0.00 177.57 176.83 2k2j h GLU 105 N 0.00 -0.18 0.00 5.19 4.39 -1.99 -2.12 114.58 119.87 2k2j h GLU 105 Ca -0.00 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 2k2j h GLU 105 Cb 0.91 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.60 2k2j h GLU 105 CO 0.06 0.25 -0.06 0.93 -1.16 0.00 0.00 179.01 179.04 2k2j h GLU 106 N -0.73 0.00 0.43 2.33 4.39 -1.98 0.20 114.58 119.22 2k2j h GLU 106 Ca -0.02 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 2k2j h GLU 106 Cb 0.52 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2k2j h GLU 106 CO 0.03 0.06 -0.20 1.25 -1.16 0.00 0.00 179.01 178.98 2k2j h LEU 107 N 0.00 -0.48 -1.51 1.33 5.85 -1.38 -1.67 115.31 117.44 2k2j h LEU 107 Ca -0.00 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 2k2j h LEU 107 Cb 0.10 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2k2j h LEU 107 CO 0.01 -0.09 -0.25 0.15 -0.34 0.00 0.00 178.44 177.91 2k2j h PHE 108 N -0.95 0.00 0.27 1.25 3.57 -1.16 -1.19 116.94 118.73 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 39.31 2k2j h PHE 108 CO 0.02 0.25 -0.13 1.49 -2.23 0.00 0.00 178.31 177.71 2k2j h GLU 109 N 0.00 -0.35 -0.02 1.11 4.57 -0.95 -2.55 114.58 116.39 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 -0.11 -0.01 -1.49 -1.18 0.00 0.00 179.01 176.25 2k2j h TRP 110 N -1.04 0.05 -0.48 0.92 4.06 -1.33 -2.84 115.95 115.30 2k2j h TRP 110 Ca -0.04 -0.01 -0.10 0.00 2.06 0.00 0.00 58.89 60.80 2k2j h TRP 110 Cb 0.40 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.53 2k2j h TRP 110 CO 0.03 0.46 -0.08 0.74 -3.56 0.00 0.00 178.44 176.03 2k2j h PHE 111 N -0.37 0.99 -0.52 0.49 0.04 -1.39 -1.22 116.94 114.96 2k2j h PHE 111 Ca 0.00 -0.20 -0.02 0.00 2.80 0.00 0.00 57.97 60.56 2k2j h PHE 111 Cb 0.45 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.32 2k2j h PHE 111 CO 0.07 0.96 0.26 0.37 -0.60 0.00 0.00 178.31 179.37 2k2j h GLN 112 N 0.74 0.73 -0.32 1.51 5.75 -1.54 -0.58 115.11 121.39 2k2j h GLN 112 Ca 0.13 -0.08 -0.09 0.00 -0.15 0.00 0.00 58.65 58.46 2k2j h GLN 112 Cb 0.62 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.01 2k2j h GLN 112 CO 0.04 0.56 -0.13 0.77 -2.65 0.00 0.00 178.83 177.42 2k2j h SER 113 N 0.73 0.67 -0.52 -0.69 0.02 -1.23 0.21 113.55 112.75 2k2j h SER 113 Ca 0.18 -0.40 0.05 0.00 -0.84 0.00 0.00 61.79 60.79 2k2j h SER 113 Cb 0.07 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 2k2j h SER 113 CO -0.03 0.92 0.34 0.40 -1.14 0.00 0.00 176.83 177.33 2k2j h ILE 114 N 0.43 1.00 0.01 3.27 2.04 -0.52 0.12 117.51 123.86 2k2j h ILE 114 Ca 0.07 -0.17 -0.21 0.00 1.00 0.00 0.00 64.86 65.56 2k2j h ILE 114 Cb 0.65 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 2k2j h ILE 114 CO 0.04 0.09 -0.92 0.03 0.00 0.00 0.00 178.15 177.39 2k2j h ARG 115 N 0.49 0.23 0.00 2.37 3.08 -0.73 -2.28 114.38 117.54 2k2j h ARG 115 Ca 0.22 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2k2j h ARG 115 Cb 0.25 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2k2j h ARG 115 CO -0.06 1.00 0.11 0.93 -1.07 0.00 0.00 179.97 180.88 2k2j h GLU 116 N 0.12 0.00 0.00 0.04 5.08 0.15 0.69 114.58 120.66 2k2j h GLU 116 Ca -0.06 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.10 2k2j h GLU 116 Cb 1.56 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.77 2k2j h GLU 116 CO 0.14 0.00 -1.78 -0.89 -1.00 0.00 0.00 179.01 175.48 2k2j n ILE 117 N -2.90 0.78 -1.12 3.13 5.41 -1.10 -3.57 119.36 119.99 2k2j n ILE 117 Ca -0.02 -0.47 0.00 0.00 1.00 0.00 0.00 62.75 63.26 2k2j n ILE 117 Cb 0.16 -0.73 0.27 0.00 -0.71 0.00 0.00 39.64 38.63 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 -2.46 2.60 0.00 1.39 -2.24 -0.83 -4.60 114.28 108.13 2k2j n THR 118 Ca -0.19 -1.98 0.00 0.00 -2.27 0.00 0.00 64.05 59.61 2k2j n THR 118 Cb 0.86 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 2k2j n THR 118 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 2k2j n TRP 119 N -0.51 0.00 -4.03 4.78 -0.00 0.23 -4.63 117.44 113.28 2k2j n TRP 119 Ca 0.32 0.00 -0.34 0.00 -0.00 0.00 0.00 57.50 57.47 2k2j n TRP 119 Cb 1.12 0.00 -0.07 0.00 -0.00 0.00 0.00 31.31 32.36 2k2j n TRP 119 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 2k2j s LYS 120 N -0.91 3.24 -0.38 5.87 2.20 -0.33 -4.98 119.74 124.44 2k2j s LYS 120 Ca 0.00 -0.34 0.01 0.00 -0.36 0.00 0.00 55.97 55.28 2k2j s LYS 120 Cb 0.00 -2.99 0.11 0.00 -1.51 0.00 0.00 37.83 33.43 2k2j s LYS 120 CO 0.00 0.70 0.14 0.42 -0.36 0.00 0.00 175.35 176.24 2k2j s ILE 121 N -1.14 2.78 -0.24 5.43 -1.09 -1.26 -4.30 121.20 121.37 2k2j s ILE 121 Ca 0.20 -2.27 -0.03 0.00 -2.23 0.00 0.00 60.65 56.33 2k2j s ILE 121 Cb -0.12 -2.96 0.08 0.00 -1.58 0.00 0.00 42.46 37.87 2k2j s ILE 121 CO 0.11 -0.66 0.08 -0.62 -1.23 0.00 0.00 174.94 172.62 2k2j s ASP 122 N 1.27 3.22 0.00 3.58 2.15 -1.26 -4.92 116.67 120.70 2k2j s ASP 122 Ca 0.10 -1.08 0.00 0.00 0.43 0.00 0.00 52.55 52.00 2k2j s ASP 122 Cb -0.21 -0.54 0.00 0.00 -0.30 0.00 0.00 42.92 41.87 2k2j s ASP 122 CO -0.06 -0.37 0.00 0.35 -0.17 0.00 0.00 175.17 174.92 2k2j n THR 123 N 5.09 0.00 -0.43 1.71 -2.24 -1.26 -5.15 114.28 112.00 2k2j n THR 123 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2k2j n THR 123 Cb 0.45 1.67 0.00 0.00 -2.10 0.00 0.00 70.33 70.35 2k2j n THR 123 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79