#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 0.00 -3.85 1.97 2.85 -1.26 -5.11 118.16 112.77 2k2j n LYS 9 Ca 0.00 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.90 2k2j n LYS 9 Cb 0.00 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.25 2k2j n LYS 9 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2k2j s ASP 10 N 0.00 4.67 -0.01 -5.58 2.15 -1.26 -4.93 116.67 111.72 2k2j s ASP 10 Ca 0.00 -0.50 0.00 0.00 0.43 0.00 0.00 52.55 52.48 2k2j s ASP 10 Cb 0.00 -1.80 -0.01 0.00 -0.30 0.00 0.00 42.92 40.81 2k2j s ASP 10 CO 0.00 -0.08 -0.00 1.21 -0.17 0.00 0.00 175.17 176.12 2k2j n GLU 11 N 4.82 1.82 -4.44 4.34 2.13 -1.26 -5.04 120.64 123.01 2k2j n GLU 11 Ca -0.17 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.34 2k2j n GLU 11 Cb 0.50 -1.02 -0.10 0.00 0.27 0.00 0.00 31.44 31.08 2k2j n GLU 11 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2k2j s HIS 12 N -2.02 2.86 0.33 4.31 3.76 -1.26 -5.13 115.29 118.14 2k2j s HIS 12 Ca -0.01 -0.06 -0.03 0.00 -0.15 0.00 0.00 55.06 54.81 2k2j s HIS 12 Cb 0.00 -1.58 -0.04 0.00 1.11 0.00 0.00 32.58 32.07 2k2j s HIS 12 CO 0.03 0.37 0.57 0.15 -0.85 0.00 0.00 174.74 175.02 2k2j s LYS 13 N -1.52 3.56 -0.14 1.40 1.02 -1.26 -5.02 119.74 117.79 2k2j s LYS 13 Ca 0.18 -0.11 -0.29 0.00 0.02 0.00 0.00 55.97 55.76 2k2j s LYS 13 Cb -0.11 -2.63 -0.04 0.00 -0.52 0.00 0.00 37.83 34.53 2k2j s LYS 13 CO 0.08 0.15 1.70 -1.14 -0.92 0.00 0.00 175.35 175.23 2k2j s GLN 14 N -3.96 3.92 -0.09 1.68 -0.44 -1.26 -4.95 119.66 114.56 2k2j s GLN 14 Ca 0.43 1.97 -0.10 0.00 -2.50 0.00 0.00 55.36 55.16 2k2j s GLN 14 Cb -0.10 -4.05 0.02 0.00 -1.64 0.00 0.00 33.01 27.24 2k2j s GLN 14 CO 0.34 -1.15 0.27 -1.14 0.50 0.00 0.00 175.29 174.10 2k2j s GLN 15 N 4.53 0.34 0.00 1.67 0.74 -1.26 -1.74 119.66 123.94 2k2j s GLN 15 Ca 0.76 0.31 0.00 0.00 0.05 0.00 0.00 55.36 56.48 2k2j s GLN 15 Cb -0.30 0.16 0.00 0.00 1.10 0.00 0.00 33.01 33.97 2k2j s GLN 15 CO 0.31 -0.05 0.00 0.41 -0.55 0.00 0.00 175.29 175.41 2k2j n GLY 16 N 2.78 -0.91 3.21 2.59 0.00 -0.50 -5.00 105.19 107.36 2k2j n GLY 16 Ca -0.14 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.52 1.30 0.21 1.61 2.02 -1.26 -0.83 118.70 121.22 2k2j s GLU 17 Ca 0.00 -0.85 -0.08 0.00 0.02 0.00 0.00 54.97 54.07 2k2j s GLU 17 Cb 0.00 -1.36 -0.02 0.00 0.10 0.00 0.00 34.13 32.85 2k2j s GLU 17 CO 0.00 0.35 0.32 -0.51 0.02 0.00 0.00 175.26 175.44 2k2j s LEU 18 N -1.03 0.76 0.01 1.80 1.43 -0.59 -4.86 118.68 116.19 2k2j s LEU 18 Ca 0.06 -1.07 0.06 0.00 -1.03 0.00 0.00 54.13 52.15 2k2j s LEU 18 Cb -0.08 1.17 -0.03 0.00 0.03 0.00 0.00 46.19 47.28 2k2j s LEU 18 CO 0.01 -0.98 -0.16 -0.31 0.23 0.00 0.00 176.35 175.14 2k2j s TYR 19 N -4.05 2.63 -0.00 0.29 1.51 -1.20 -1.70 117.35 114.83 2k2j s TYR 19 Ca 0.26 -0.21 0.01 0.00 -1.01 0.00 0.00 57.07 56.13 2k2j s TYR 19 Cb 0.03 -1.53 -0.00 0.00 -0.11 0.00 0.00 41.96 40.35 2k2j s TYR 19 CO 0.08 0.24 -0.04 -1.64 -1.11 0.00 0.00 175.55 173.08 2k2j s MET 20 N -1.24 0.30 -0.18 -0.62 -1.94 -1.25 -2.40 119.30 111.98 2k2j s MET 20 Ca 0.14 -0.15 -0.29 0.00 -1.71 0.00 0.00 55.69 53.68 2k2j s MET 20 Cb -0.11 -0.28 -0.05 0.00 2.01 0.00 0.00 34.83 36.40 2k2j s MET 20 CO 0.04 0.08 1.97 -0.46 -0.01 0.00 0.00 175.02 176.64 2k2j s TRP 21 N -0.13 1.48 -0.47 -0.03 -0.00 -1.03 -4.03 118.94 114.73 2k2j s TRP 21 Ca 0.01 0.33 -0.20 0.00 -0.00 0.00 0.00 56.10 56.23 2k2j s TRP 21 Cb -0.02 -4.04 0.04 0.00 -0.00 0.00 0.00 33.47 29.45 2k2j s TRP 21 CO -0.00 -4.02 0.64 0.34 -0.00 0.00 0.00 176.95 173.91 2k2j s ASP 22 N 6.24 6.28 0.00 5.86 -1.08 -0.85 -4.80 116.67 128.32 2k2j s ASP 22 Ca 0.89 -0.54 0.08 0.00 -0.52 0.00 0.00 52.55 52.46 2k2j s ASP 22 Cb -0.32 -2.31 0.40 0.00 -1.46 0.00 0.00 42.92 39.23 2k2j s ASP 22 CO 0.35 -0.83 1.27 -1.20 0.52 0.00 0.00 175.17 175.28 2k2j n SER 23 N 6.27 0.42 -0.06 -0.34 7.64 -1.26 0.15 113.62 126.44 2k2j n SER 23 Ca -0.03 -1.82 -0.04 0.00 1.01 0.00 0.00 58.87 57.98 2k2j n SER 23 Cb 0.47 -0.04 -0.11 0.00 -1.01 0.00 0.00 64.21 63.51 2k2j n SER 23 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2k2j n ILE 24 N -0.35 0.79 0.22 0.44 5.41 -1.26 -4.48 119.36 120.12 2k2j n ILE 24 Ca 0.07 -0.56 0.03 0.00 1.00 0.00 0.00 62.75 63.28 2k2j n ILE 24 Cb 0.09 -0.47 0.02 0.00 -0.71 0.00 0.00 39.64 38.57 2k2j n ILE 24 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2k2j n ASP 25 N -2.43 1.28 -3.91 4.38 8.00 -1.19 -5.02 116.55 117.66 2k2j n ASP 25 Ca -0.19 -1.14 -0.39 0.00 0.71 0.00 0.00 54.79 53.78 2k2j n ASP 25 Cb 0.86 0.12 0.02 0.00 -0.02 0.00 0.00 41.12 42.10 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 0.12 -0.70 -1.80 -1.24 3.00 0.12 -4.93 117.38 111.96 2k2j n GLN 26 Ca 0.03 0.30 -0.01 0.00 -0.01 0.00 0.00 57.00 57.31 2k2j n GLN 26 Cb 0.12 -2.98 0.00 0.00 0.00 0.00 0.00 30.24 27.39 2k2j n GLN 26 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 2k2j n LYS 27 N -4.42 0.14 -3.86 -1.09 2.85 -1.10 -5.01 118.16 105.67 2k2j n LYS 27 Ca -0.13 -0.31 -0.36 0.00 -1.05 0.00 0.00 58.31 56.47 2k2j n LYS 27 Cb 0.59 0.41 -0.13 0.00 -0.65 0.00 0.00 35.03 35.24 2k2j n LYS 27 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2k2j s TRP 28 N -5.82 3.31 0.38 5.58 0.52 -1.26 -2.01 118.94 119.63 2k2j s TRP 28 Ca 0.04 -1.86 0.07 0.00 0.02 0.00 0.00 56.10 54.38 2k2j s TRP 28 Cb -0.01 -2.30 -0.01 0.00 -1.15 0.00 0.00 33.47 30.01 2k2j s TRP 28 CO 0.01 -0.81 0.45 0.95 0.02 0.00 0.00 176.95 177.57 2k2j s THR 29 N 1.27 3.35 -0.17 2.01 -4.23 -1.26 -5.00 115.64 111.60 2k2j s THR 29 Ca -0.03 -1.14 -0.09 0.00 -1.18 0.00 0.00 61.69 59.26 2k2j s THR 29 Cb -0.20 -3.15 -0.05 0.00 1.34 0.00 0.00 72.50 70.44 2k2j s THR 29 CO -0.01 -0.08 0.13 -0.60 -0.54 0.00 0.00 174.62 173.53 2k2j s ARG 30 N -4.19 3.92 0.03 3.99 3.52 -1.26 -3.81 118.95 121.16 2k2j s ARG 30 Ca 0.48 -0.19 0.04 0.00 -0.13 0.00 0.00 55.73 55.93 2k2j s ARG 30 Cb -0.08 -3.34 -0.02 0.00 -1.56 0.00 0.00 34.95 29.96 2k2j s ARG 30 CO 0.30 0.47 -0.12 -1.01 -0.81 0.00 0.00 175.30 174.13 2k2j s HIS 31 N -0.13 1.05 -0.74 5.12 3.76 -0.69 -3.39 115.29 120.28 2k2j s HIS 31 Ca 0.10 -0.34 -0.21 0.00 -0.15 0.00 0.00 55.06 54.47 2k2j s HIS 31 Cb -0.11 -0.63 0.09 0.00 1.11 0.00 0.00 32.58 33.04 2k2j s HIS 31 CO 0.00 0.01 0.99 -0.47 -0.85 0.00 0.00 174.74 174.42 2k2j s TYR 32 N -0.81 2.84 0.42 1.40 5.04 -1.26 -1.54 117.35 123.44 2k2j s TYR 32 Ca 0.00 -0.86 -0.12 0.00 -2.44 0.00 0.00 57.07 53.65 2k2j s TYR 32 Cb -0.07 -4.26 -0.07 0.00 0.35 0.00 0.00 41.96 37.90 2k2j s TYR 32 CO 0.01 -1.57 0.81 0.00 -1.34 0.00 0.00 175.55 173.47 2k2j s ALA 34 N -2.38 -2.61 -0.18 0.00 0.00 -1.09 -1.42 121.76 114.07 2k2j s ALA 34 Ca 0.53 1.98 -0.22 0.00 0.00 0.00 0.00 51.96 54.26 2k2j s ALA 34 Cb -0.10 -2.09 -0.02 0.00 0.00 0.00 0.00 23.12 20.91 2k2j s ALA 34 CO 0.30 -1.09 0.66 0.42 0.00 0.00 0.00 175.76 176.05 2k2j s ILE 35 N 2.70 5.01 -0.08 0.00 1.01 -0.71 -1.07 121.20 128.05 2k2j s ILE 35 Ca 0.01 1.27 0.03 0.00 0.00 0.00 0.00 60.65 61.96 2k2j s ILE 35 Cb -0.09 -3.98 0.01 0.00 0.01 0.00 0.00 42.46 38.40 2k2j s ILE 35 CO -0.17 0.12 -0.17 0.00 0.00 0.00 0.00 174.94 174.71 2k2j s ALA 36 N 1.81 1.64 0.00 9.38 0.00 0.11 -4.52 121.76 130.19 2k2j s ALA 36 Ca 0.31 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.62 2k2j s ALA 36 Cb -0.16 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.29 2k2j s ALA 36 CO 0.11 0.19 0.00 -0.25 0.00 0.00 0.00 175.76 175.82 2k2j n ASP 37 N 3.67 0.00 -0.06 0.00 8.00 -1.26 -1.33 116.55 125.57 2k2j n ASP 37 Ca -0.21 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.29 2k2j n ASP 37 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 2k2j n ASP 37 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k2j n ALA 38 N 1.51 1.12 -2.55 2.24 0.00 -1.26 -5.13 120.51 116.44 2k2j n ALA 38 Ca 0.00 -0.25 -0.26 0.00 0.00 0.00 0.00 53.44 52.94 2k2j n ALA 38 Cb 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 19.45 19.33 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 1.86 -0.18 0.00 1.02 -0.44 -3.68 119.74 118.31 2k2j s LYS 39 Ca 0.00 -2.10 0.01 0.00 0.02 0.00 0.00 55.97 53.90 2k2j s LYS 39 Cb 0.00 -1.03 0.03 0.00 -0.52 0.00 0.00 37.83 36.31 2k2j s LYS 39 CO 0.00 -0.27 -0.16 -1.17 -0.92 0.00 0.00 175.35 172.83 2k2j s LEU 40 N -3.62 2.20 -0.41 3.17 2.96 -1.06 -0.71 118.68 121.21 2k2j s LEU 40 Ca 0.28 -0.74 -0.14 0.00 -0.22 0.00 0.00 54.13 53.31 2k2j s LEU 40 Cb 0.06 -1.36 0.03 0.00 0.50 0.00 0.00 46.19 45.42 2k2j s LEU 40 CO 0.14 -0.06 0.28 -0.94 -1.32 0.00 0.00 176.35 174.44 2k2j s SER 41 N 1.34 5.99 -0.07 3.68 1.04 -0.24 -0.16 113.70 125.29 2k2j s SER 41 Ca 0.02 -0.99 -0.04 0.00 0.48 0.00 0.00 55.95 55.42 2k2j s SER 41 Cb -0.14 -2.12 -0.04 0.00 0.10 0.00 0.00 66.02 63.82 2k2j s SER 41 CO -0.11 -0.45 0.13 0.72 0.98 0.00 0.00 173.24 174.51 2k2j s PHE 42 N 1.63 3.50 0.72 5.02 -0.12 -0.03 -2.69 117.98 126.01 2k2j s PHE 42 Ca 0.04 0.40 -0.05 0.00 -0.05 0.00 0.00 56.93 57.27 2k2j s PHE 42 Cb -0.20 -1.86 0.10 0.00 -0.63 0.00 0.00 43.02 40.43 2k2j s PHE 42 CO 0.08 0.66 1.01 -1.54 -0.05 0.00 0.00 175.22 175.39 2k2j s SER 43 N -1.40 4.50 0.78 1.98 1.04 -0.95 -0.11 113.70 119.55 2k2j s SER 43 Ca 0.20 0.09 -0.12 0.00 0.48 0.00 0.00 55.95 56.60 2k2j s SER 43 Cb -0.12 -0.61 0.06 0.00 0.10 0.00 0.00 66.02 65.44 2k2j s SER 43 CO 0.10 -1.76 1.10 1.51 0.98 0.00 0.00 173.24 175.17 2k2j s ASP 44 N -4.62 4.74 0.01 7.02 1.47 -1.26 -4.43 116.67 119.60 2k2j s ASP 44 Ca 0.64 1.20 -0.36 0.00 1.18 0.00 0.00 52.55 55.20 2k2j s ASP 44 Cb -0.08 -1.93 -0.15 0.00 -0.34 0.00 0.00 42.92 40.42 2k2j s ASP 44 CO 0.45 -1.80 1.54 0.47 0.68 0.00 0.00 175.17 176.51 2k2j n ASP 45 N -3.31 2.35 -0.08 2.11 9.92 -1.26 -4.68 116.55 121.60 2k2j n ASP 45 Ca 0.07 1.08 -0.05 0.00 -0.53 0.00 0.00 54.79 55.36 2k2j n ASP 45 Cb 0.57 -1.26 -0.16 0.00 -0.64 0.00 0.00 41.12 39.63 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 3.47 1.09 -0.11 0.53 -5.35 -1.22 -3.18 119.36 114.59 2k2j n ILE 46 Ca 0.20 -0.78 -0.23 0.00 -0.27 0.00 0.00 62.75 61.67 2k2j n ILE 46 Cb 0.21 -0.36 -0.11 0.00 -1.74 0.00 0.00 39.64 37.64 2k2j n ILE 46 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2k2j n GLU 47 N -2.64 0.57 0.08 6.28 1.02 -1.26 -4.55 120.64 120.13 2k2j n GLU 47 Ca -0.27 0.51 -0.23 0.00 -0.02 0.00 0.00 57.16 57.15 2k2j n GLU 47 Cb 1.03 -1.69 -0.15 0.00 -0.02 0.00 0.00 31.44 30.61 2k2j n GLU 47 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2k2j h GLN 48 N -1.00 0.41 -4.43 3.49 1.08 -1.92 -3.50 115.11 109.24 2k2j h GLN 48 Ca -0.42 -0.71 0.00 0.00 -1.45 0.00 0.00 58.65 56.07 2k2j h GLN 48 Cb 1.36 0.26 0.00 0.00 -0.05 0.00 0.00 27.48 29.05 2k2j h GLN 48 CO -0.25 1.34 -0.67 0.25 -0.95 0.00 0.00 178.83 178.54 2k2j n THR 49 N -3.69 -9.20 1.00 -0.54 -2.24 -1.19 -4.85 114.28 93.57 2k2j n THR 49 Ca -0.22 2.20 0.09 0.00 -2.27 0.00 0.00 64.05 63.84 2k2j n THR 49 Cb 1.05 -4.54 0.29 0.00 -2.10 0.00 0.00 70.33 65.03 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 1.90 1.84 -1.99 -0.78 2.81 -1.26 -4.90 117.12 114.74 2k2j n MET 50 Ca 0.00 -1.28 -0.42 0.00 -1.81 0.00 0.00 57.70 54.19 2k2j n MET 50 Cb 0.00 -1.37 -0.03 0.00 -0.71 0.00 0.00 33.22 31.12 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 -1.66 4.18 0.01 0.03 2.02 -1.26 -4.93 118.70 117.10 2k2j s GLU 51 Ca 0.30 2.22 -0.16 0.00 0.02 0.00 0.00 54.97 57.35 2k2j s GLU 51 Cb 0.16 -3.96 -0.09 0.00 0.10 0.00 0.00 34.13 30.34 2k2j s GLU 51 CO 0.23 -0.84 1.02 1.49 0.02 0.00 0.00 175.26 177.18 2k2j h GLU 52 N 9.47 -0.56 -0.17 1.61 4.81 -2.02 -3.35 114.58 124.37 2k2j h GLU 52 Ca -0.40 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 2k2j h GLU 52 Cb 1.18 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.69 2k2j h GLU 52 CO 0.95 -0.37 0.00 -0.25 -0.73 0.00 0.00 179.01 178.61 2k2j n ASP 53 N -3.90 3.10 -3.16 1.04 8.00 -1.26 -5.01 116.55 115.36 2k2j n ASP 53 Ca -0.07 -2.78 -0.04 0.00 0.71 0.00 0.00 54.79 52.61 2k2j n ASP 53 Cb 0.23 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 2k2j n ASP 53 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2k2j n ASN 54 N -0.62 -7.40 0.25 -2.24 2.85 -1.26 -4.97 115.26 101.87 2k2j n ASN 54 Ca 0.16 -0.18 -0.10 0.00 -0.11 0.00 0.00 54.58 54.34 2k2j n ASN 54 Cb 0.68 -4.81 -0.05 0.00 1.24 0.00 0.00 39.78 36.84 2k2j n ASN 54 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2k2j h PRO 55 N 0.39 -0.66 -0.68 1.20 0.11 -1.95 -3.46 132.00 126.95 2k2j h PRO 55 Ca -0.09 0.04 0.16 0.00 0.11 0.00 0.00 66.00 66.23 2k2j h PRO 55 Cb 1.06 0.15 -0.21 0.00 0.11 0.00 0.00 31.00 32.11 2k2j h PRO 55 CO 0.31 -0.44 -0.08 -1.17 -0.21 0.00 0.00 178.00 176.41 2k2j s LEU 56 N -9.01 -0.95 -1.28 2.35 2.96 -1.26 -5.08 118.68 106.41 2k2j s LEU 56 Ca -0.10 0.59 -0.14 0.00 -0.22 0.00 0.00 54.13 54.26 2k2j s LEU 56 Cb 0.01 1.80 0.12 0.00 0.50 0.00 0.00 46.19 48.62 2k2j s LEU 56 CO 0.30 -0.18 1.71 0.61 -1.32 0.00 0.00 176.35 177.47 2k2j n GLY 57 N 5.45 3.54 3.69 7.98 0.00 -1.26 -4.99 105.19 119.59 2k2j n GLY 57 Ca -0.04 -1.81 -0.30 0.00 0.00 0.00 0.00 46.02 43.86 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 2.91 3.25 0.08 1.61 1.04 -1.26 -4.96 113.70 116.38 2k2j s SER 58 Ca 0.46 1.84 -0.07 0.00 0.48 0.00 0.00 55.95 58.66 2k2j s SER 58 Cb 0.04 -2.43 -0.24 0.00 0.10 0.00 0.00 66.02 63.49 2k2j s SER 58 CO 0.01 -2.83 1.17 0.25 0.98 0.00 0.00 173.24 172.82 2k2j h LEU 59 N -1.68 0.56 -7.56 2.42 7.12 -1.94 -3.38 115.31 110.85 2k2j h LEU 59 Ca -0.47 -0.55 -0.79 0.00 0.13 0.00 0.00 57.88 56.21 2k2j h LEU 59 Cb 1.27 -0.18 -0.29 0.00 -0.53 0.00 0.00 40.66 40.93 2k2j h LEU 59 CO 0.48 1.39 0.34 0.00 -0.13 0.00 0.00 178.44 180.53 2k2j h ARG 61 N 6.69 0.00 -1.60 0.00 9.65 -0.70 -3.46 114.38 124.96 2k2j h ARG 61 Ca 0.17 0.00 0.07 0.00 -1.10 0.00 0.00 59.98 59.11 2k2j h ARG 61 Cb 0.88 0.00 -0.23 0.00 -1.39 0.00 0.00 29.97 29.23 2k2j h ARG 61 CO 0.96 0.42 0.51 0.20 2.80 0.00 0.00 179.97 184.87 2k2j s GLY 62 N -4.36 -0.28 -0.07 2.80 0.00 -0.63 -4.97 107.32 99.81 2k2j s GLY 62 Ca -0.02 2.03 0.01 0.00 0.00 0.00 0.00 44.72 46.74 2k2j s GLY 62 CO 0.72 1.10 -0.08 -0.42 0.00 0.00 0.00 173.10 174.41 2k2j s ILE 63 N -0.99 3.55 -0.44 0.90 1.01 -1.26 -0.85 121.20 123.13 2k2j s ILE 63 Ca -0.02 -0.53 -0.06 0.00 0.00 0.00 0.00 60.65 60.04 2k2j s ILE 63 Cb -0.01 -2.45 0.11 0.00 0.01 0.00 0.00 42.46 40.12 2k2j s ILE 63 CO 0.02 0.59 0.28 -0.22 0.00 0.00 0.00 174.94 175.60 2k2j s LEU 64 N -0.65 5.45 -0.49 2.97 2.96 0.77 -4.93 118.68 124.77 2k2j s LEU 64 Ca 0.10 -1.93 -0.26 0.00 -0.22 0.00 0.00 54.13 51.81 2k2j s LEU 64 Cb -0.11 -1.93 -0.07 0.00 0.50 0.00 0.00 46.19 44.57 2k2j s LEU 64 CO 0.02 -0.62 2.42 0.47 -1.32 0.00 0.00 176.35 177.32 2k2j n ASP 65 N 4.77 2.31 -0.83 3.68 9.92 -1.26 -2.57 116.55 132.57 2k2j n ASP 65 Ca -0.06 -0.47 0.00 0.00 -0.53 0.00 0.00 54.79 53.73 2k2j n ASP 65 Cb 0.41 -1.57 0.00 0.00 -0.64 0.00 0.00 41.12 39.32 2k2j n ASP 65 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2k2j n LEU 66 N 15.69 2.07 -0.13 0.64 4.77 -1.24 -2.76 117.00 136.05 2k2j n LEU 66 Ca 0.37 -1.04 0.04 0.00 -0.03 0.00 0.00 56.01 55.36 2k2j n LEU 66 Cb 0.53 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 2k2j n LEU 66 CO 0.71 0.37 0.13 0.59 -1.33 0.00 0.00 177.39 177.86 2k2j n ASN 67 N 0.39 0.85 -3.09 -1.43 4.13 -1.26 -3.49 115.26 111.36 2k2j n ASN 67 Ca 0.00 -0.93 -0.16 0.00 1.68 0.00 0.00 54.58 55.17 2k2j n ASN 67 Cb 0.37 0.63 -0.01 0.00 -1.54 0.00 0.00 39.78 39.23 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 -0.57 -0.01 -3.98 3.41 -2.24 -1.11 -5.00 114.28 104.77 2k2j n THR 68 Ca 0.03 -4.21 -0.09 0.00 -2.27 0.00 0.00 64.05 57.51 2k2j n THR 68 Cb 0.15 -0.04 -0.04 0.00 -2.10 0.00 0.00 70.33 68.30 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 -2.36 0.34 -0.04 4.78 2.02 -1.26 -1.09 117.35 119.74 2k2j s TYR 69 Ca 0.37 -0.72 0.00 0.00 -0.37 0.00 0.00 57.07 56.35 2k2j s TYR 69 Cb 0.36 0.26 0.03 0.00 -0.40 0.00 0.00 41.96 42.21 2k2j s TYR 69 CO -0.06 -1.06 -0.00 -0.80 -1.57 0.00 0.00 175.55 172.05 2k2j s ASN 70 N -3.03 0.63 -0.17 2.29 0.01 0.77 -4.77 114.94 110.67 2k2j s ASN 70 Ca 0.21 -0.04 -0.14 0.00 -0.71 0.00 0.00 52.86 52.19 2k2j s ASN 70 Cb -0.02 -0.26 -0.04 0.00 0.41 0.00 0.00 41.25 41.34 2k2j s ASN 70 CO 0.10 -0.11 0.31 -0.69 -1.51 0.00 0.00 177.10 175.19 2k2j s VAL 71 N 1.17 5.29 -0.03 1.60 1.01 -1.26 -0.33 120.40 127.84 2k2j s VAL 71 Ca -0.08 0.57 0.03 0.00 0.00 0.00 0.00 61.98 62.50 2k2j s VAL 71 Cb -0.13 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.60 2k2j s VAL 71 CO -0.02 0.36 -0.11 0.68 0.00 0.00 0.00 175.10 176.01 2k2j s VAL 72 N 0.68 0.96 -0.44 2.92 -7.23 -0.46 -4.98 120.40 111.84 2k2j s VAL 72 Ca 0.17 -0.46 -0.24 0.00 -1.81 0.00 0.00 61.98 59.64 2k2j s VAL 72 Cb -0.13 -0.84 0.02 0.00 0.56 0.00 0.00 36.38 35.99 2k2j s VAL 72 CO 0.05 0.29 0.86 -0.75 -0.31 0.00 0.00 175.10 175.24 2k2j s LYS 73 N 0.16 3.55 -0.25 4.82 2.36 -1.26 -1.19 119.74 127.92 2k2j s LYS 73 Ca -0.03 0.14 -0.21 0.00 -2.55 0.00 0.00 55.97 53.31 2k2j s LYS 73 Cb -0.09 -3.90 -0.02 0.00 -1.05 0.00 0.00 37.83 32.76 2k2j s LYS 73 CO 0.01 -1.12 0.65 0.00 1.55 0.00 0.00 175.35 176.44 2k2j s ALA 74 N 3.51 3.61 -0.05 3.13 0.00 0.25 -4.99 121.76 127.22 2k2j s ALA 74 Ca 0.34 -0.40 -0.00 0.00 0.00 0.00 0.00 51.96 51.90 2k2j s ALA 74 Cb -0.11 -3.05 -0.00 0.00 0.00 0.00 0.00 23.12 19.95 2k2j s ALA 74 CO 0.23 -0.81 0.00 -1.00 0.00 0.00 0.00 175.76 174.19 2k2j h PRO 75 N 7.86 -0.00 0.00 0.00 0.13 -1.81 -2.98 132.00 135.20 2k2j h PRO 75 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2k2j h PRO 75 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2k2j h PRO 75 CO 0.78 -0.00 0.02 1.04 -0.23 0.00 0.00 178.00 179.61 2k2j n GLN 76 N -3.53 0.07 -0.59 0.86 6.02 -1.26 -4.53 117.38 114.43 2k2j n GLN 76 Ca -0.00 0.57 0.07 0.00 -0.01 0.00 0.00 57.00 57.63 2k2j n GLN 76 Cb 0.00 -1.76 -0.04 0.00 1.02 0.00 0.00 30.24 29.46 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 -1.38 -2.70 3.44 1.08 0.00 -1.05 -4.67 105.19 99.90 2k2j n GLY 77 Ca -0.01 -1.30 -0.22 0.00 0.00 0.00 0.00 46.02 44.49 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 -3.18 1.58 1.63 1.61 2.20 -1.26 -4.88 119.74 117.44 2k2j s LYS 78 Ca 0.00 -1.72 0.00 0.00 -0.36 0.00 0.00 55.97 53.89 2k2j s LYS 78 Cb 0.00 -1.57 0.00 0.00 -1.51 0.00 0.00 37.83 34.75 2k2j s LYS 78 CO 0.00 0.28 0.00 0.09 -0.36 0.00 0.00 175.35 175.36 2k2j n ASN 79 N -0.56 0.00 -0.10 1.43 5.03 -1.26 -1.64 115.26 118.16 2k2j n ASN 79 Ca -0.06 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.39 2k2j n ASN 79 Cb 0.60 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.36 2k2j n ASN 79 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k2j n GLN 80 N 0.00 0.00 -2.95 3.52 6.02 -1.26 -5.12 117.38 117.59 2k2j n GLN 80 Ca 0.00 -0.35 -0.20 0.00 -0.01 0.00 0.00 57.00 56.44 2k2j n GLN 80 Cb 0.00 -0.29 0.07 0.00 1.02 0.00 0.00 30.24 31.04 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 2.21 0.03 -1.09 -0.14 -0.65 -5.08 119.74 115.02 2k2j s LYS 81 Ca 0.00 -1.52 -0.03 0.00 -1.36 0.00 0.00 55.97 53.06 2k2j s LYS 81 Cb 0.00 -2.59 -0.01 0.00 -1.68 0.00 0.00 37.83 33.55 2k2j s LYS 81 CO 0.00 -0.95 -0.07 -1.13 -0.76 0.00 0.00 175.35 172.44 2k2j n SER 82 N -2.34 1.17 -4.43 2.83 3.41 -1.26 -3.98 113.62 109.02 2k2j n SER 82 Ca 0.15 0.16 -0.44 0.00 -0.26 0.00 0.00 58.87 58.49 2k2j n SER 82 Cb 0.61 -0.39 -0.05 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 -2.17 2.90 0.05 7.33 0.08 -1.26 -2.54 117.98 122.36 2k2j s PHE 83 Ca -0.06 -0.64 0.04 0.00 0.12 0.00 0.00 56.93 56.39 2k2j s PHE 83 Cb 0.01 -3.98 -0.02 0.00 -0.57 0.00 0.00 43.02 38.45 2k2j s PHE 83 CO 0.09 -1.34 -0.12 0.08 -0.10 0.00 0.00 175.22 173.83 2k2j s VAL 84 N 3.20 0.94 -0.11 -0.44 1.01 -1.12 -4.01 120.40 119.87 2k2j s VAL 84 Ca 0.17 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 61.09 2k2j s VAL 84 Cb -0.20 -0.90 0.02 0.00 0.00 0.00 0.00 36.38 35.30 2k2j s VAL 84 CO 0.10 -0.15 -0.12 -0.36 0.00 0.00 0.00 175.10 174.57 2k2j s PHE 85 N -1.06 1.74 -0.07 5.22 0.40 -0.77 0.87 117.98 124.32 2k2j s PHE 85 Ca -0.02 -0.83 -0.06 0.00 -0.60 0.00 0.00 56.93 55.42 2k2j s PHE 85 Cb -0.09 -1.32 -0.04 0.00 0.51 0.00 0.00 43.02 42.09 2k2j s PHE 85 CO 0.01 -0.47 0.18 0.42 0.70 0.00 0.00 175.22 176.06 2k2j s ILE 86 N 1.21 5.44 -0.17 0.64 1.01 -0.33 -1.74 121.20 127.25 2k2j s ILE 86 Ca -0.03 0.13 -0.07 0.00 0.00 0.00 0.00 60.65 60.68 2k2j s ILE 86 Cb -0.14 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 2k2j s ILE 86 CO -0.04 0.50 0.04 -0.76 0.00 0.00 0.00 174.94 174.69 2k2j s LEU 87 N -1.38 3.72 -0.28 2.97 1.43 0.08 -1.36 118.68 123.86 2k2j s LEU 87 Ca 0.21 0.05 -0.00 0.00 -1.03 0.00 0.00 54.13 53.35 2k2j s LEU 87 Cb -0.13 -1.93 0.05 0.00 0.03 0.00 0.00 46.19 44.21 2k2j s LEU 87 CO 0.10 0.18 -0.04 -1.61 0.23 0.00 0.00 176.35 175.21 2k2j s GLU 88 N 0.30 2.47 0.23 1.70 2.02 0.55 -2.22 118.70 123.76 2k2j s GLU 88 Ca 0.02 -1.22 -0.32 0.00 0.02 0.00 0.00 54.97 53.48 2k2j s GLU 88 Cb -0.13 -3.05 -0.12 0.00 0.10 0.00 0.00 34.13 30.93 2k2j s GLU 88 CO 0.01 -0.55 1.70 -1.25 0.02 0.00 0.00 175.26 175.18 2k2j s PRO 89 N 1.23 4.12 -0.01 0.39 0.04 -1.26 -0.17 135.00 139.34 2k2j s PRO 89 Ca -0.05 2.61 0.08 0.00 0.04 0.00 0.00 61.00 63.68 2k2j s PRO 89 Cb -0.19 -3.06 0.25 0.00 0.04 0.00 0.00 34.50 31.54 2k2j s PRO 89 CO -0.03 -0.73 1.18 1.63 0.04 0.00 0.00 177.00 179.09 2k2j n LYS 90 N 3.56 1.74 0.11 4.56 5.02 -0.25 -4.32 118.16 128.58 2k2j n LYS 90 Ca 0.14 -1.02 -0.04 0.00 -2.02 0.00 0.00 58.31 55.36 2k2j n LYS 90 Cb 0.36 -1.28 -0.02 0.00 -0.02 0.00 0.00 35.03 34.06 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 1.62 -0.27 0.00 1.97 1.08 -1.90 -3.49 115.11 114.11 2k2j h GLN 91 Ca 0.00 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 2k2j h GLN 91 Cb 0.45 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 2k2j h GLN 91 CO 0.02 -0.18 0.00 0.94 -0.95 0.00 0.00 178.83 178.66 2k2j n GLN 92 N -2.90 0.00 -0.86 1.46 7.27 -1.26 -4.99 117.38 116.10 2k2j n GLN 92 Ca -0.04 0.00 0.01 0.00 0.07 0.00 0.00 57.00 57.05 2k2j n GLN 92 Cb 0.11 0.00 0.01 0.00 2.41 0.00 0.00 30.24 32.77 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 -1.43 0.68 3.63 1.69 0.00 -1.26 -5.09 105.19 103.42 2k2j n GLY 93 Ca 0.00 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.36 2.53 0.44 1.61 1.11 -1.26 -4.99 116.67 114.75 2k2j s ASP 94 Ca 0.12 1.82 -0.22 0.00 0.18 0.00 0.00 52.55 54.45 2k2j s ASP 94 Cb 0.14 -2.41 -0.09 0.00 1.07 0.00 0.00 42.92 41.63 2k2j s ASP 94 CO -0.06 -3.28 1.02 -2.16 1.18 0.00 0.00 175.17 171.87 2k2j s PRO 95 N -4.67 4.04 0.64 8.23 0.04 -1.26 -4.72 135.00 137.31 2k2j s PRO 95 Ca 0.66 1.36 -0.05 0.00 0.04 0.00 0.00 61.00 63.01 2k2j s PRO 95 Cb -0.22 -2.29 0.04 0.00 0.04 0.00 0.00 34.50 32.07 2k2j s PRO 95 CO 0.60 -0.22 0.93 -1.25 0.04 0.00 0.00 177.00 177.10 2k2j s PRO 96 N -2.93 2.49 -0.06 0.56 0.04 -1.26 -4.58 135.00 129.26 2k2j s PRO 96 Ca 0.62 -0.28 0.01 0.00 0.04 0.00 0.00 61.00 61.39 2k2j s PRO 96 Cb -0.17 -2.26 0.02 0.00 0.04 0.00 0.00 34.50 32.13 2k2j s PRO 96 CO 0.21 -0.97 -0.06 0.08 0.04 0.00 0.00 177.00 176.31 2k2j s VAL 97 N -3.07 0.70 0.06 -0.36 1.01 -0.94 -4.95 120.40 112.83 2k2j s VAL 97 Ca 0.57 -0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.29 2k2j s VAL 97 Cb -0.11 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 2k2j s VAL 97 CO 0.44 0.28 0.37 -1.61 0.00 0.00 0.00 175.10 174.57 2k2j s GLU 98 N 1.14 3.72 0.04 2.72 8.01 -1.26 -0.74 118.70 132.33 2k2j s GLU 98 Ca -0.07 0.12 0.04 0.00 0.01 0.00 0.00 54.97 55.07 2k2j s GLU 98 Cb -0.14 -3.03 -0.02 0.00 -4.31 0.00 0.00 34.13 26.63 2k2j s GLU 98 CO -0.01 0.59 -0.12 -0.06 0.01 0.00 0.00 175.26 175.67 2k2j s PHE 99 N -1.35 1.00 0.02 1.61 0.40 -0.71 -2.48 117.98 116.48 2k2j s PHE 99 Ca 0.31 -0.39 -0.11 0.00 -0.60 0.00 0.00 56.93 56.14 2k2j s PHE 99 Cb -0.14 -0.59 0.01 0.00 0.51 0.00 0.00 43.02 42.81 2k2j s PHE 99 CO 0.17 0.00 0.23 0.00 0.70 0.00 0.00 175.22 176.33 2k2j s ALA 100 N -1.00 -0.51 0.08 5.36 0.00 -1.01 -1.84 121.76 122.84 2k2j s ALA 100 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.86 2k2j s ALA 100 Cb -0.08 0.23 -0.00 0.00 0.00 0.00 0.00 23.12 23.26 2k2j s ALA 100 CO 0.01 -0.33 0.01 0.25 0.00 0.00 0.00 175.76 175.70 2k2j n THR 101 N 0.88 0.00 0.03 0.00 -2.24 -1.26 -3.24 114.28 108.46 2k2j n THR 101 Ca -0.20 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 2k2j n THR 101 Cb 0.58 0.10 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 -1.32 0.84 -4.03 3.42 8.00 -1.26 -4.94 116.55 117.27 2k2j n ASP 102 Ca -0.03 -0.92 -0.09 0.00 0.71 0.00 0.00 54.79 54.46 2k2j n ASP 102 Cb 0.11 0.22 -0.08 0.00 -0.02 0.00 0.00 41.12 41.34 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 -0.28 1.02 0.14 -1.24 0.52 -1.26 -5.06 118.95 112.79 2k2j s ARG 103 Ca 0.01 -1.25 0.04 0.00 -0.52 0.00 0.00 55.73 54.00 2k2j s ARG 103 Cb 0.01 0.32 -0.12 0.00 0.52 0.00 0.00 34.95 35.68 2k2j s ARG 103 CO 0.01 -0.34 1.31 -0.24 0.02 0.00 0.00 175.30 176.07 2k2j h VAL 104 N 2.70 1.60 0.18 3.52 3.04 -1.99 -2.83 116.25 122.47 2k2j h VAL 104 Ca -0.33 -3.03 -0.01 0.00 -1.01 0.00 0.00 66.70 62.32 2k2j h VAL 104 Cb 1.21 2.70 0.00 0.00 -2.01 0.00 0.00 31.29 33.19 2k2j h VAL 104 CO 0.54 0.87 -0.09 -0.33 -1.01 0.00 0.00 177.57 177.55 2k2j h GLU 105 N 0.04 -0.24 -0.05 4.17 5.08 -2.00 -2.69 114.58 118.89 2k2j h GLU 105 Ca -0.04 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2k2j h GLU 105 Cb 1.68 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.98 2k2j h GLU 105 CO 0.14 0.17 0.06 0.93 -1.00 0.00 0.00 179.01 179.31 2k2j h GLU 106 N -0.81 0.00 0.50 2.33 4.39 -1.99 -0.21 114.58 118.79 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 0.52 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2k2j h GLU 106 CO 0.04 0.00 -0.24 1.25 -1.16 0.00 0.00 179.01 178.90 2k2j h LEU 107 N 0.00 -0.57 -0.74 1.33 5.85 -1.41 -2.38 115.31 117.40 2k2j h LEU 107 Ca 0.02 -0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.54 2k2j h LEU 107 Cb 0.14 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2k2j h LEU 107 CO -0.00 -0.19 -0.50 0.15 -0.34 0.00 0.00 178.44 177.56 2k2j h PHE 108 N -1.02 0.40 0.72 1.25 3.57 -1.14 -1.69 116.94 119.03 2k2j h PHE 108 Ca -0.07 -0.13 -0.04 0.00 3.53 0.00 0.00 57.97 61.27 2k2j h PHE 108 Cb 0.60 -0.08 0.01 0.00 2.79 0.00 0.00 35.95 39.27 2k2j h PHE 108 CO 0.01 0.76 -0.35 1.49 -2.23 0.00 0.00 178.31 178.00 2k2j h GLU 109 N 0.26 -0.93 -0.52 1.11 4.57 -1.10 0.30 114.58 118.27 2k2j h GLU 109 Ca 0.01 0.06 -0.11 0.00 -1.18 0.00 0.00 59.36 58.14 2k2j h GLU 109 Cb 0.98 0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 29.76 2k2j h GLU 109 CO 0.08 -0.60 -0.11 -1.49 -1.18 0.00 0.00 179.01 175.71 2k2j h TRP 110 N -1.06 1.08 -0.00 0.92 4.06 -1.48 -2.86 115.95 116.60 2k2j h TRP 110 Ca -0.10 -0.22 -0.16 0.00 2.06 0.00 0.00 58.89 60.47 2k2j h TRP 110 Cb 0.76 -0.27 -0.02 0.00 -1.00 0.00 0.00 29.16 28.63 2k2j h TRP 110 CO -0.01 1.01 -0.77 0.74 -3.56 0.00 0.00 178.44 175.85 2k2j h PHE 111 N 0.86 0.05 -0.36 0.49 0.04 -1.32 -2.66 116.94 114.05 2k2j h PHE 111 Ca 0.14 -0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.77 2k2j h PHE 111 Cb 0.65 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.79 2k2j h PHE 111 CO 0.04 0.78 -0.25 0.37 -0.60 0.00 0.00 178.31 178.65 2k2j h GLN 112 N 0.02 0.72 -0.25 1.51 -0.00 -0.32 -1.67 115.11 115.12 2k2j h GLN 112 Ca -0.01 -0.30 -0.06 0.00 -0.00 0.00 0.00 58.65 58.27 2k2j h GLN 112 Cb 1.35 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.80 2k2j h GLN 112 CO 0.10 0.90 -0.08 1.03 0.00 0.00 0.00 178.83 180.78 2k2j h SER 113 N 0.63 0.51 -0.66 -0.69 0.87 -1.46 0.21 113.55 112.96 2k2j h SER 113 Ca 0.08 -0.38 0.06 0.00 -1.23 0.00 0.00 61.79 60.32 2k2j h SER 113 Cb 0.76 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.53 2k2j h SER 113 CO 0.06 0.78 0.44 0.40 -0.53 0.00 0.00 176.83 177.98 2k2j h ILE 114 N 0.24 1.02 0.00 2.23 2.04 -1.34 0.20 117.51 121.90 2k2j h ILE 114 Ca 0.06 -0.24 -0.15 0.00 1.00 0.00 0.00 64.86 65.53 2k2j h ILE 114 Cb 0.57 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2k2j h ILE 114 CO 0.03 0.13 -0.71 0.03 0.00 0.00 0.00 178.15 177.63 2k2j h ARG 115 N 0.69 0.00 0.00 2.37 3.08 -0.99 -2.25 114.38 117.29 2k2j h ARG 115 Ca 0.28 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.33 2k2j h ARG 115 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 2k2j h ARG 115 CO -0.09 0.71 -0.00 0.93 -1.07 0.00 0.00 179.97 180.45 2k2j h GLU 116 N 0.00 0.00 0.00 0.04 5.08 0.16 0.44 114.58 120.30 2k2j h GLU 116 Ca -0.01 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.13 2k2j h GLU 116 Cb 1.37 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.58 2k2j h GLU 116 CO 0.09 0.00 -1.82 -0.89 -1.00 0.00 0.00 179.01 175.39 2k2j n ILE 117 N -3.41 0.82 -0.08 3.13 5.41 -1.14 -4.29 119.36 119.81 2k2j n ILE 117 Ca -0.03 -0.46 -0.07 0.00 1.00 0.00 0.00 62.75 63.19 2k2j n ILE 117 Cb 0.09 -0.76 -0.02 0.00 -0.71 0.00 0.00 39.64 38.23 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 -2.55 1.40 0.30 1.39 -2.24 -0.85 -4.42 114.28 107.30 2k2j n THR 118 Ca -0.21 0.19 0.17 0.00 -2.27 0.00 0.00 64.05 61.92 2k2j n THR 118 Cb 0.86 -2.33 0.96 0.00 -2.10 0.00 0.00 70.33 67.73 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 -0.95 0.00 -2.39 4.78 2.91 -0.51 -3.43 115.95 116.36 2k2j h TRP 119 Ca 0.00 0.00 -0.55 0.00 1.13 0.00 0.00 58.89 59.47 2k2j h TRP 119 Cb 0.77 0.00 -0.14 0.00 -0.51 0.00 0.00 29.16 29.28 2k2j h TRP 119 CO -0.33 0.02 -0.70 0.15 -1.03 0.00 0.00 178.44 176.55 2k2j s LYS 120 N -4.39 1.63 -0.30 2.65 1.02 0.87 -4.99 119.74 116.23 2k2j s LYS 120 Ca -0.04 -1.80 0.02 0.00 0.02 0.00 0.00 55.97 54.16 2k2j s LYS 120 Cb 0.14 -1.42 0.09 0.00 -0.52 0.00 0.00 37.83 36.12 2k2j s LYS 120 CO 0.52 0.14 0.03 0.42 -0.92 0.00 0.00 175.35 175.54 2k2j s ILE 121 N -2.80 1.72 -0.38 2.17 -1.09 -1.26 -4.30 121.20 115.27 2k2j s ILE 121 Ca 0.30 -1.80 -0.28 0.00 -2.23 0.00 0.00 60.65 56.64 2k2j s ILE 121 Cb 0.01 -2.19 0.02 0.00 -1.58 0.00 0.00 42.46 38.72 2k2j s ILE 121 CO 0.13 -0.48 1.02 -0.62 -1.23 0.00 0.00 174.94 173.76 2k2j s ASP 122 N 1.22 6.75 -0.12 3.58 -1.08 -1.26 -4.89 116.67 120.86 2k2j s ASP 122 Ca 0.06 0.70 -0.14 0.00 -0.52 0.00 0.00 52.55 52.65 2k2j s ASP 122 Cb -0.19 -2.51 -0.05 0.00 -1.46 0.00 0.00 42.92 38.72 2k2j s ASP 122 CO -0.12 -0.96 -0.27 0.41 0.52 0.00 0.00 175.17 174.75 2k2j n THR 123 N 6.14 1.40 1.19 1.71 -1.04 -1.26 -5.19 114.28 117.24 2k2j n THR 123 Ca 0.10 0.20 0.13 0.00 -2.04 0.00 0.00 64.05 62.44 2k2j n THR 123 Cb 0.48 -2.17 0.26 0.00 -1.82 0.00 0.00 70.33 67.08 2k2j n THR 123 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72