#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k0f n HIS 15 N 0.00 1.28 -4.28 4.31 8.25 -1.26 -5.02 115.22 118.51 3k0f n HIS 15 Ca 0.00 -1.83 -0.14 0.00 -0.26 0.00 0.00 57.72 55.49 3k0f n HIS 15 Cb 0.00 -0.29 -0.04 0.00 1.12 0.00 0.00 29.99 30.78 3k0f n HIS 15 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3k0f n GLN 16 N -0.92 0.69 0.00 -0.41 3.00 -1.26 -5.16 117.38 113.33 3k0f n GLN 16 Ca 0.30 -1.99 0.00 0.00 -0.01 0.00 0.00 57.00 55.31 3k0f n GLN 16 Cb 0.82 1.12 0.00 0.00 0.00 0.00 0.00 30.24 32.19 3k0f n GLN 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3k0f n ALA 17 N -1.87 0.00 -2.64 -1.58 0.00 -1.26 -4.92 120.51 108.25 3k0f n ALA 17 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.97 3k0f n ALA 17 Cb 0.35 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.74 3k0f n ALA 17 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3k0f s ILE 18 N -0.44 5.13 0.23 0.00 1.09 -1.26 -4.92 121.20 121.03 3k0f s ILE 18 Ca 0.00 0.90 -0.16 0.00 -1.10 0.00 0.00 60.65 60.29 3k0f s ILE 18 Cb 0.00 -3.78 -0.08 0.00 -1.06 0.00 0.00 42.46 37.54 3k0f s ILE 18 CO 0.00 0.41 0.67 0.00 -0.10 0.00 0.00 174.94 175.92 3k0f s ALA 19 N 0.08 3.44 0.32 9.38 0.00 -1.26 -4.98 121.76 128.74 3k0f s ALA 19 Ca 0.25 0.01 0.08 0.00 0.00 0.00 0.00 51.96 52.30 3k0f s ALA 19 Cb -0.16 -2.70 -0.04 0.00 0.00 0.00 0.00 23.12 20.23 3k0f s ALA 19 CO 0.11 0.38 0.13 0.15 0.00 0.00 0.00 175.76 176.53 3k0f s LYS 20 N -2.36 2.45 -0.13 0.00 1.02 -1.26 -1.06 119.74 118.41 3k0f s LYS 20 Ca 0.46 -1.44 0.01 0.00 0.02 0.00 0.00 55.97 55.02 3k0f s LYS 20 Cb -0.14 -2.25 0.02 0.00 -0.52 0.00 0.00 37.83 34.94 3k0f s LYS 20 CO 0.20 0.19 -0.17 1.41 -0.92 0.00 0.00 175.35 176.06 3k0f s MET 21 N -3.83 2.47 0.30 1.68 -2.45 0.81 -4.76 119.30 113.53 3k0f s MET 21 Ca 0.36 -0.64 -0.30 0.00 -1.25 0.00 0.00 55.69 53.86 3k0f s MET 21 Cb -0.04 -2.12 -0.11 0.00 1.25 0.00 0.00 34.83 33.81 3k0f s MET 21 CO 0.23 -0.11 1.54 1.03 1.05 0.00 0.00 175.02 178.76 3k0f s ARG 22 N 1.11 4.15 0.03 4.11 0.52 -1.25 -2.14 118.95 125.49 3k0f s ARG 22 Ca -0.03 2.52 0.21 0.00 -0.52 0.00 0.00 55.73 57.92 3k0f s ARG 22 Cb -0.14 -3.03 -0.20 0.00 0.52 0.00 0.00 34.95 32.10 3k0f s ARG 22 CO -0.05 -0.57 0.65 0.25 0.02 0.00 0.00 175.30 175.60 3k0f n THR 23 N 1.86 0.50 -0.72 0.02 -2.24 -1.26 -4.85 114.28 107.60 3k0f n THR 23 Ca 0.06 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 3k0f n THR 23 Cb 0.38 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 3k0f n THR 23 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3k0f n MET 24 N -2.53 -0.31 -2.39 -0.78 0.00 -1.26 -4.74 117.12 105.11 3k0f n MET 24 Ca -0.07 0.08 -0.42 0.00 0.00 0.00 0.00 57.70 57.29 3k0f n MET 24 Cb 0.66 -4.05 -0.03 0.00 0.00 0.00 0.00 33.22 29.81 3k0f n MET 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3k0f s ILE 25 N -1.72 4.03 -0.35 2.02 1.01 -1.26 -4.87 121.20 120.07 3k0f s ILE 25 Ca 0.00 1.42 -0.35 0.00 0.00 0.00 0.00 60.65 61.72 3k0f s ILE 25 Cb 0.00 -3.91 -0.11 0.00 0.01 0.00 0.00 42.46 38.44 3k0f s ILE 25 CO 0.00 0.05 2.19 1.21 0.00 0.00 0.00 174.94 178.39 3k0f n GLU 26 N 4.66 1.08 0.00 2.79 0.00 -1.26 -2.29 120.64 125.61 3k0f n GLU 26 Ca 0.10 0.29 0.00 0.00 0.00 0.00 0.00 57.16 57.56 3k0f n GLU 26 Cb 0.46 -2.46 0.00 0.00 0.00 0.00 0.00 31.44 29.44 3k0f n GLU 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3k0f n GLY 27 N 6.54 3.05 0.42 8.31 0.00 -1.26 -2.36 105.19 119.88 3k0f n GLY 27 Ca 0.41 -0.84 0.23 0.00 0.00 0.00 0.00 46.02 45.82 3k0f n GLY 27 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3k0f h PHE 28 N 0.00 0.16 0.00 1.61 3.57 -1.78 0.73 116.94 121.23 3k0f h PHE 28 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3k0f h PHE 28 Cb 0.00 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.69 3k0f h PHE 28 CO 0.00 0.05 0.00 -0.25 -2.23 0.00 0.00 178.31 175.88 3k0f n ASP 29 N -4.37 0.00 -0.10 0.41 8.00 -1.25 -1.24 116.55 118.00 3k0f n ASP 29 Ca 0.15 -0.53 -0.23 0.00 0.71 0.00 0.00 54.79 54.89 3k0f n ASP 29 Cb 0.75 -0.15 -0.12 0.00 -0.02 0.00 0.00 41.12 41.58 3k0f n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3k0f n ASP 30 N -1.15 1.98 -0.30 -2.24 8.00 0.21 -1.41 116.55 121.63 3k0f n ASP 30 Ca 0.18 0.22 0.01 0.00 0.71 0.00 0.00 54.79 55.91 3k0f n ASP 30 Cb 0.18 -0.77 0.20 0.00 -0.02 0.00 0.00 41.12 40.70 3k0f n ASP 30 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3k0f h ILE 31 N -0.53 1.18 -0.53 0.53 2.04 -1.33 -2.03 117.51 116.83 3k0f h ILE 31 Ca -0.53 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 64.94 3k0f h ILE 31 Cb 1.70 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 3k0f h ILE 31 CO -0.18 0.21 0.00 -1.54 0.00 0.00 0.00 178.15 176.64 3k0f n SER 32 N -4.43 3.02 -3.88 1.72 3.41 -0.37 0.16 113.62 113.25 3k0f n SER 32 Ca 0.11 -2.06 -0.31 0.00 -0.26 0.00 0.00 58.87 56.36 3k0f n SER 32 Cb 0.07 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 3k0f n SER 32 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3k0f n HIS 33 N 1.03 -1.98 0.00 7.33 8.25 -0.77 -3.26 115.22 125.82 3k0f n HIS 33 Ca 0.18 0.76 0.00 0.00 -0.26 0.00 0.00 57.72 58.40 3k0f n HIS 33 Cb 0.50 -3.37 0.00 0.00 1.12 0.00 0.00 29.99 28.23 3k0f n HIS 33 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3k0f n GLY 34 N -1.46 2.41 0.00 -1.41 0.00 -0.50 -5.01 105.19 99.22 3k0f n GLY 34 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3k0f n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k0f n GLY 35 N 0.00 0.46 3.76 -0.02 0.00 -1.20 -3.79 105.19 104.40 3k0f n GLY 35 Ca 0.00 -2.19 -0.40 0.00 0.00 0.00 0.00 46.02 43.42 3k0f n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k0f s LEU 36 N 0.00 4.47 -0.15 0.99 1.43 -0.91 -4.54 118.68 119.98 3k0f s LEU 36 Ca 0.00 2.49 -0.29 0.00 -1.03 0.00 0.00 54.13 55.30 3k0f s LEU 36 Cb 0.00 -3.66 -0.05 0.00 0.03 0.00 0.00 46.19 42.51 3k0f s LEU 36 CO 0.00 -0.37 1.86 -2.84 0.23 0.00 0.00 176.35 175.24 3k0f s PRO 37 N -1.67 3.72 0.46 1.29 0.02 -1.26 -0.13 135.00 137.42 3k0f s PRO 37 Ca 0.47 2.01 -0.23 0.00 0.02 0.00 0.00 61.00 63.28 3k0f s PRO 37 Cb -0.36 -4.15 -0.10 0.00 0.02 0.00 0.00 34.50 29.91 3k0f s PRO 37 CO 0.47 -1.41 0.91 -0.89 -0.33 0.00 0.00 177.00 175.75 3k0f n ILE 38 N 6.51 2.53 -0.52 2.83 5.41 -0.22 -2.25 119.36 133.65 3k0f n ILE 38 Ca 0.22 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.47 3k0f n ILE 38 Cb 0.44 -1.05 0.00 0.00 -0.71 0.00 0.00 39.64 38.32 3k0f n ILE 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3k0f n GLY 39 N 1.31 1.23 3.41 7.39 0.00 -1.26 -4.86 105.19 112.42 3k0f n GLY 39 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 3k0f n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k0f s ARG 40 N -0.19 1.52 0.35 1.61 0.52 -0.95 -4.56 118.95 117.24 3k0f s ARG 40 Ca 0.00 -1.78 0.01 0.00 -0.52 0.00 0.00 55.73 53.45 3k0f s ARG 40 Cb 0.00 -1.02 -0.03 0.00 0.52 0.00 0.00 34.95 34.42 3k0f s ARG 40 CO 0.00 -0.01 0.54 -1.12 0.02 0.00 0.00 175.30 174.73 3k0f s SER 41 N -3.42 6.20 -0.07 0.23 0.01 -1.26 -2.42 113.70 112.97 3k0f s SER 41 Ca 0.30 0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.90 3k0f s SER 41 Cb 0.05 -1.88 0.02 0.00 0.21 0.00 0.00 66.02 64.42 3k0f s SER 41 CO 0.11 -0.34 -0.05 -0.89 0.41 0.00 0.00 173.24 172.48 3k0f s THR 42 N -2.31 0.70 -0.07 1.44 2.01 -0.12 -3.89 115.64 113.40 3k0f s THR 42 Ca 0.41 -0.14 -0.22 0.00 0.31 0.00 0.00 61.69 62.05 3k0f s THR 42 Cb -0.10 -0.75 -0.04 0.00 0.01 0.00 0.00 72.50 71.63 3k0f s THR 42 CO 0.35 0.29 0.65 -0.22 -0.69 0.00 0.00 174.62 175.00 3k0f s LEU 43 N 1.42 4.32 -0.22 4.42 2.96 -0.24 -0.04 118.68 131.31 3k0f s LEU 43 Ca -0.02 1.12 -0.00 0.00 -0.22 0.00 0.00 54.13 55.01 3k0f s LEU 43 Cb -0.13 -2.99 0.06 0.00 0.50 0.00 0.00 46.19 43.62 3k0f s LEU 43 CO -0.03 -0.07 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.21 3k0f s VAL 44 N 0.63 1.27 0.33 1.68 1.01 0.16 0.93 120.40 126.41 3k0f s VAL 44 Ca 0.35 -1.03 0.06 0.00 0.00 0.00 0.00 61.98 61.36 3k0f s VAL 44 Cb -0.17 -1.58 -0.06 0.00 0.00 0.00 0.00 36.38 34.56 3k0f s VAL 44 CO 0.17 -0.11 -0.01 -0.94 0.00 0.00 0.00 175.10 174.21 3k0f s SER 45 N 1.52 2.94 0.00 3.32 1.04 -0.73 -1.38 113.70 120.41 3k0f s SER 45 Ca -0.04 -1.29 0.00 0.00 0.48 0.00 0.00 55.95 55.10 3k0f s SER 45 Cb -0.18 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.74 3k0f s SER 45 CO -0.07 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.32 3k0f n GLY 46 N -0.71 1.60 3.46 7.32 0.00 -1.16 -1.16 105.19 114.53 3k0f n GLY 46 Ca -0.04 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 3k0f n GLY 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k0f s THR 47 N -2.00 1.52 0.23 2.61 -4.23 -1.26 -2.05 115.64 110.46 3k0f s THR 47 Ca 0.00 0.00 -0.31 0.00 -1.18 0.00 0.00 61.69 60.20 3k0f s THR 47 Cb 0.00 -2.25 -0.11 0.00 1.34 0.00 0.00 72.50 71.48 3k0f s THR 47 CO 0.00 0.00 1.59 -0.55 -0.54 0.00 0.00 174.62 175.12 3k0f s SER 48 N -3.34 6.47 0.00 3.99 0.15 -1.26 -3.12 113.70 116.59 3k0f s SER 48 Ca 0.69 2.80 0.00 0.00 0.70 0.00 0.00 55.95 60.14 3k0f s SER 48 Cb -0.14 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 3k0f s SER 48 CO 0.58 -0.87 0.00 0.61 1.20 0.00 0.00 173.24 174.76 3k0f n GLY 49 N 3.02 0.61 0.04 9.45 0.00 -1.26 -5.00 105.19 112.04 3k0f n GLY 49 Ca 0.11 -0.79 0.07 0.00 0.00 0.00 0.00 46.02 45.42 3k0f n GLY 49 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3k0f n THR 50 N -3.04 0.38 0.00 2.61 -2.24 -1.18 -5.00 114.28 105.80 3k0f n THR 50 Ca 0.00 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 3k0f n THR 50 Cb 0.18 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 3k0f n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k0f n GLY 51 N 1.33 1.21 0.04 3.38 0.00 -1.26 -4.83 105.19 105.05 3k0f n GLY 51 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 3k0f n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k0f h LYS 52 N 0.00 -0.07 -0.51 1.61 1.57 -1.92 0.13 116.57 117.38 3k0f h LYS 52 Ca 0.00 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.89 3k0f h LYS 52 Cb 0.00 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.22 3k0f h LYS 52 CO 0.00 -0.05 -0.21 1.15 -0.57 0.00 0.00 179.45 179.77 3k0f h THR 53 N -0.07 0.35 -0.26 -0.16 2.02 -1.97 -0.82 112.91 111.99 3k0f h THR 53 Ca -0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 3k0f h THR 53 Cb 0.06 0.35 -0.07 0.00 -1.74 0.00 0.00 68.15 66.75 3k0f h THR 53 CO -0.00 0.00 -0.19 0.25 0.37 0.00 0.00 175.52 175.95 3k0f h LEU 54 N -0.10 -0.62 -0.71 2.58 5.85 -1.98 0.42 115.31 120.75 3k0f h LEU 54 Ca 0.24 0.13 0.13 0.00 0.84 0.00 0.00 57.88 59.21 3k0f h LEU 54 Cb 0.47 0.31 -0.09 0.00 0.37 0.00 0.00 40.66 41.72 3k0f h LEU 54 CO -0.57 -0.23 0.25 0.15 -0.34 0.00 0.00 178.44 177.70 3k0f h PHE 55 N -0.18 0.43 -0.40 1.25 3.57 0.61 0.14 116.94 122.36 3k0f h PHE 55 Ca 0.14 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.55 3k0f h PHE 55 Cb 0.40 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 3k0f h PHE 55 CO -0.36 0.04 -0.26 0.66 -2.23 0.00 0.00 178.31 176.16 3k0f h SER 56 N 0.40 0.92 0.03 0.41 4.64 0.06 -1.44 113.55 118.56 3k0f h SER 56 Ca 0.38 -0.43 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3k0f h SER 56 Cb 0.57 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3k0f h SER 56 CO -0.40 1.15 -0.01 0.40 -0.87 0.00 0.00 176.83 177.10 3k0f h ILE 57 N 0.69 1.05 -0.29 0.95 1.08 0.89 -2.43 117.51 119.45 3k0f h ILE 57 Ca 0.08 -0.25 -0.01 0.00 -0.39 0.00 0.00 64.86 64.29 3k0f h ILE 57 Cb 0.84 1.22 -0.01 0.00 -3.07 0.00 0.00 36.82 35.80 3k0f h ILE 57 CO 0.07 0.06 0.15 -0.61 -0.69 0.00 0.00 178.15 177.14 3k0f h GLN 58 N -0.15 0.39 -0.40 2.37 4.15 -0.77 0.02 115.11 120.72 3k0f h GLN 58 Ca -0.00 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 59.25 3k0f h GLN 58 Cb 0.14 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 3k0f h GLN 58 CO 0.01 0.30 -0.28 0.35 -1.93 0.00 0.00 178.83 177.27 3k0f h PHE 59 N 0.40 0.98 0.14 3.99 3.57 -0.97 -1.36 116.94 123.68 3k0f h PHE 59 Ca 0.10 -0.25 -0.01 0.00 3.53 0.00 0.00 57.97 61.35 3k0f h PHE 59 Cb 0.03 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.54 3k0f h PHE 59 CO 0.00 1.02 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.97 3k0f h LEU 60 N 0.72 -0.16 -0.11 0.59 3.38 -0.95 -2.99 115.31 115.79 3k0f h LEU 60 Ca 0.08 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.71 3k0f h LEU 60 Cb 0.83 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 3k0f h LEU 60 CO 0.07 0.32 -0.15 0.22 0.09 0.00 0.00 178.44 178.99 3k0f h TYR 61 N -0.70 -0.45 -0.86 1.13 3.20 -0.94 0.41 116.97 118.76 3k0f h TYR 61 Ca -0.02 0.02 0.20 0.00 3.14 0.00 0.00 58.73 62.07 3k0f h TYR 61 Cb 0.51 0.21 -0.06 0.00 1.54 0.00 0.00 36.73 38.93 3k0f h TYR 61 CO 0.07 -0.13 0.58 -0.91 -1.64 0.00 0.00 178.16 176.13 3k0f h ASN 62 N -0.10 0.36 -0.68 -2.11 4.21 -1.39 0.59 115.58 116.46 3k0f h ASN 62 Ca 0.02 0.03 -0.01 0.00 1.21 0.00 0.00 56.30 57.56 3k0f h ASN 62 Cb 0.16 -0.03 -0.03 0.00 -1.12 0.00 0.00 38.32 37.29 3k0f h ASN 62 CO -0.16 0.15 0.40 1.23 -1.29 0.00 0.00 177.43 177.77 3k0f h GLY 63 N 0.37 0.99 0.37 2.83 0.00 -0.89 0.03 103.07 106.77 3k0f h GLY 63 Ca 0.44 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 3k0f h GLY 63 CO -0.15 0.41 -0.18 -2.22 0.00 0.00 0.00 176.54 174.40 3k0f h ILE 64 N 0.92 0.00 0.00 2.60 2.04 0.20 -1.04 117.51 122.24 3k0f h ILE 64 Ca 0.24 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.97 3k0f h ILE 64 Cb -0.01 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.07 3k0f h ILE 64 CO -0.04 0.00 0.00 -0.38 0.00 0.00 0.00 178.15 177.73 3k0f n ILE 65 N -3.69 0.00 0.00 -0.67 2.08 0.29 -0.56 119.36 116.81 3k0f n ILE 65 Ca -0.06 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.25 3k0f n ILE 65 Cb 0.20 -0.54 0.00 0.00 -0.75 0.00 0.00 39.64 38.55 3k0f n ILE 65 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3k0f n GLU 66 N -0.75 3.68 0.00 0.38 -0.58 -0.01 -4.86 120.64 118.51 3k0f n GLU 66 Ca 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 3k0f n GLU 66 Cb 0.02 -0.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.39 3k0f n GLU 66 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3k0f n PHE 67 N -0.38 0.00 -3.72 -0.32 3.01 -1.02 -5.01 117.46 110.01 3k0f n PHE 67 Ca 0.00 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.21 3k0f n PHE 67 Cb 0.00 0.03 0.05 0.00 -0.01 0.00 0.00 39.48 39.55 3k0f n PHE 67 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3k0f n ASP 68 N 0.00 -4.10 -4.34 4.37 -0.08 0.28 -4.94 116.55 107.74 3k0f n ASP 68 Ca 0.00 -0.70 -0.45 0.00 -1.51 0.00 0.00 54.79 52.13 3k0f n ASP 68 Cb 0.36 -4.39 -0.06 0.00 2.34 0.00 0.00 41.12 39.37 3k0f n ASP 68 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 3k0f s GLU 69 N -6.24 2.95 0.58 -0.67 2.02 -0.42 -4.94 118.70 111.97 3k0f s GLU 69 Ca 0.42 -1.55 -0.19 0.00 0.02 0.00 0.00 54.97 53.66 3k0f s GLU 69 Cb -0.20 -4.19 -0.06 0.00 0.10 0.00 0.00 34.13 29.78 3k0f s GLU 69 CO 0.79 -1.18 0.88 -2.30 0.02 0.00 0.00 175.26 173.46 3k0f n PRO 70 N 5.20 0.86 -4.11 0.39 -0.02 -1.26 -3.31 135.00 132.75 3k0f n PRO 70 Ca -0.13 0.33 -0.15 0.00 -2.02 0.00 0.00 63.50 61.53 3k0f n PRO 70 Cb 0.42 -2.06 -0.12 0.00 -0.02 0.00 0.00 33.50 31.72 3k0f n PRO 70 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3k0f s GLY 71 N -1.19 0.67 -0.09 -1.23 0.00 0.32 -1.03 107.32 104.76 3k0f s GLY 71 Ca 0.73 -0.87 0.01 0.00 0.00 0.00 0.00 44.72 44.59 3k0f s GLY 71 CO 0.49 -0.91 -0.10 0.14 0.00 0.00 0.00 173.10 172.72 3k0f s VAL 72 N -1.33 3.43 -0.29 1.40 1.01 -0.36 -1.30 120.40 122.96 3k0f s VAL 72 Ca -0.06 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.39 3k0f s VAL 72 Cb -0.10 -2.42 0.07 0.00 0.00 0.00 0.00 36.38 33.93 3k0f s VAL 72 CO 0.01 0.56 -0.06 0.12 0.00 0.00 0.00 175.10 175.74 3k0f s PHE 73 N -0.33 3.41 -0.08 5.22 5.36 -0.38 -1.18 117.98 130.00 3k0f s PHE 73 Ca 0.04 -2.49 -0.20 0.00 -0.96 0.00 0.00 56.93 53.33 3k0f s PHE 73 Cb -0.13 -2.23 -0.04 0.00 -0.34 0.00 0.00 43.02 40.29 3k0f s PHE 73 CO 0.02 -0.90 0.56 0.08 -1.46 0.00 0.00 175.22 173.53 3k0f s VAL 74 N 1.06 5.10 -0.04 3.12 1.01 0.34 -0.40 120.40 130.58 3k0f s VAL 74 Ca -0.03 1.14 0.03 0.00 0.00 0.00 0.00 61.98 63.12 3k0f s VAL 74 Cb -0.20 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.29 3k0f s VAL 74 CO -0.06 0.33 -0.14 0.28 0.00 0.00 0.00 175.10 175.51 3k0f s THR 75 N 0.48 1.19 -0.09 3.92 -1.32 -0.68 -1.04 115.64 118.11 3k0f s THR 75 Ca 0.30 -0.57 0.15 0.00 -1.21 0.00 0.00 61.69 60.36 3k0f s THR 75 Cb -0.16 -1.05 -0.22 0.00 -1.51 0.00 0.00 72.50 69.56 3k0f s THR 75 CO 0.14 0.36 0.20 0.49 -2.21 0.00 0.00 174.62 173.60 3k0f n PHE 76 N 3.33 0.00 0.04 9.09 3.01 -1.22 -0.72 117.46 130.99 3k0f n PHE 76 Ca -0.19 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.26 3k0f n PHE 76 Cb 0.53 -0.57 -0.00 0.00 -0.01 0.00 0.00 39.48 39.42 3k0f n PHE 76 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3k0f n GLU 77 N -2.33 0.02 -1.83 -1.08 1.02 -1.26 -3.55 120.64 111.63 3k0f n GLU 77 Ca -0.14 0.01 -0.41 0.00 -0.02 0.00 0.00 57.16 56.59 3k0f n GLU 77 Cb 0.72 -0.54 -0.01 0.00 -0.02 0.00 0.00 31.44 31.59 3k0f n GLU 77 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3k0f s GLU 78 N -2.04 4.14 0.37 3.49 2.02 -1.26 -4.89 118.70 120.53 3k0f s GLU 78 Ca -0.01 2.53 -0.25 0.00 0.02 0.00 0.00 54.97 57.26 3k0f s GLU 78 Cb 0.00 -3.01 -0.09 0.00 0.10 0.00 0.00 34.13 31.13 3k0f s GLU 78 CO 0.02 -0.55 1.03 0.99 0.02 0.00 0.00 175.26 176.78 3k0f s THR 79 N -0.57 3.80 0.46 3.63 2.01 -1.26 -4.87 115.64 118.84 3k0f s THR 79 Ca 0.57 1.45 0.19 0.00 0.31 0.00 0.00 61.69 64.21 3k0f s THR 79 Cb -0.46 -3.78 0.37 0.00 0.01 0.00 0.00 72.50 68.64 3k0f s THR 79 CO 0.55 0.08 1.93 -0.65 -0.69 0.00 0.00 174.62 175.83 3k0f h PRO 80 N 2.80 0.29 0.13 4.92 0.11 -1.97 -0.83 132.00 137.45 3k0f h PRO 80 Ca -0.48 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3k0f h PRO 80 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3k0f h PRO 80 CO 0.63 0.19 -0.06 1.96 -0.21 0.00 0.00 178.00 180.51 3k0f h GLN 81 N 0.30 -0.17 0.10 1.05 1.08 -2.00 -2.90 115.11 112.57 3k0f h GLN 81 Ca 0.35 0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.58 3k0f h GLN 81 Cb 0.95 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.39 3k0f h GLN 81 CO -0.09 0.09 -0.19 -0.44 -0.95 0.00 0.00 178.83 177.25 3k0f h ASP 82 N -0.42 -0.53 -1.02 1.46 3.32 -1.58 0.43 116.42 118.08 3k0f h ASP 82 Ca -0.02 0.06 0.28 0.00 0.02 0.00 0.00 57.03 57.37 3k0f h ASP 82 Cb 0.34 0.20 -0.13 0.00 0.22 0.00 0.00 39.33 39.96 3k0f h ASP 82 CO 0.03 -0.27 0.60 0.40 -1.72 0.00 0.00 179.24 178.28 3k0f h ILE 83 N -0.36 0.45 0.05 0.35 5.03 -1.28 0.52 117.51 122.27 3k0f h ILE 83 Ca 0.03 -0.16 -0.24 0.00 -0.12 0.00 0.00 64.86 64.37 3k0f h ILE 83 Cb 0.38 -0.06 0.00 0.00 -3.03 0.00 0.00 36.82 34.11 3k0f h ILE 83 CO -0.11 0.09 -1.05 0.40 -0.68 0.00 0.00 178.15 176.80 3k0f h ILE 84 N 0.47 1.46 0.57 -0.67 2.04 -1.21 -2.55 117.51 117.62 3k0f h ILE 84 Ca 0.68 -2.72 -0.03 0.00 1.00 0.00 0.00 64.86 63.79 3k0f h ILE 84 Cb 1.43 2.63 0.01 0.00 -0.74 0.00 0.00 36.82 40.15 3k0f h ILE 84 CO -0.50 0.80 -0.27 0.50 0.00 0.00 0.00 178.15 178.68 3k0f h LYS 85 N 0.15 -0.74 -0.58 2.37 1.63 0.20 -3.06 116.57 116.54 3k0f h LYS 85 Ca -0.09 0.05 0.11 0.00 -0.85 0.00 0.00 60.65 59.86 3k0f h LYS 85 Cb 1.72 0.17 -0.08 0.00 -0.60 0.00 0.00 32.23 33.44 3k0f h LYS 85 CO 0.17 -0.49 0.13 -0.91 -3.45 0.00 0.00 179.45 174.91 3k0f h ASN 86 N -0.77 0.02 -1.10 4.20 2.35 -0.34 0.38 115.58 120.33 3k0f h ASN 86 Ca -0.08 0.10 0.32 0.00 -0.55 0.00 0.00 56.30 56.09 3k0f h ASN 86 Cb 0.58 0.14 -0.04 0.00 0.05 0.00 0.00 38.32 39.05 3k0f h ASN 86 CO 0.13 0.02 0.79 0.00 -1.65 0.00 0.00 177.43 176.72 3k0f h ALA 87 N 1.46 3.04 -0.93 -0.83 0.00 -1.44 0.41 119.26 120.96 3k0f h ALA 87 Ca 0.30 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.25 3k0f h ALA 87 Cb 0.44 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 3k0f h ALA 87 CO -0.38 -1.35 0.59 0.00 0.00 0.00 0.00 179.25 178.10 3k0f h ARG 88 N 0.00 1.00 -0.96 0.00 3.08 -0.81 -1.73 114.38 114.96 3k0f h ARG 88 Ca 0.52 -0.06 0.40 0.00 0.07 0.00 0.00 59.98 60.91 3k0f h ARG 88 Cb 2.09 -0.23 -0.17 0.00 0.08 0.00 0.00 29.97 31.75 3k0f h ARG 88 CO -0.01 0.66 0.52 0.45 -1.07 0.00 0.00 179.97 180.53 3k0f n SER 89 N -4.59 0.33 -1.44 7.04 2.88 0.15 0.18 113.62 118.17 3k0f n SER 89 Ca 0.15 1.56 0.06 0.00 -1.33 0.00 0.00 58.87 59.31 3k0f n SER 89 Cb 0.22 -0.76 0.30 0.00 -0.75 0.00 0.00 64.21 63.22 3k0f n SER 89 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 3k0f n PHE 90 N -5.12 1.39 -3.31 0.66 3.01 -0.65 -4.90 117.46 108.55 3k0f n PHE 90 Ca 0.36 -0.51 -0.16 0.00 1.01 0.00 0.00 57.45 58.15 3k0f n PHE 90 Cb 1.23 -0.31 0.07 0.00 -0.01 0.00 0.00 39.48 40.47 3k0f n PHE 90 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3k0f n GLY 91 N 0.73 -0.94 3.43 1.37 0.00 0.49 -4.73 105.19 105.54 3k0f n GLY 91 Ca 0.21 0.45 -0.07 0.00 0.00 0.00 0.00 46.02 46.60 3k0f n GLY 91 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3k0f s TRP 92 N -3.38 -0.90 -0.46 1.61 -2.14 -1.25 -5.06 118.94 107.36 3k0f s TRP 92 Ca 0.33 1.74 -0.21 0.00 2.66 0.00 0.00 56.10 60.63 3k0f s TRP 92 Cb -0.04 0.46 0.03 0.00 -3.10 0.00 0.00 33.47 30.82 3k0f s TRP 92 CO 0.74 -0.48 0.68 0.34 -2.66 0.00 0.00 176.95 175.56 3k0f s ASP 93 N 2.02 6.31 -0.03 -2.66 2.15 -1.26 -3.99 116.67 119.21 3k0f s ASP 93 Ca -0.07 -0.44 -0.16 0.00 0.43 0.00 0.00 52.55 52.31 3k0f s ASP 93 Cb -0.09 -2.33 -0.32 0.00 -0.30 0.00 0.00 42.92 39.88 3k0f s ASP 93 CO -0.16 -0.85 0.82 -0.07 -0.17 0.00 0.00 175.17 174.74 3k0f h LEU 94 N 9.85 0.64 -1.17 -1.34 3.38 -1.95 -3.28 115.31 121.44 3k0f h LEU 94 Ca -0.26 -0.92 0.29 0.00 0.09 0.00 0.00 57.88 57.08 3k0f h LEU 94 Cb 1.09 -0.21 -0.12 0.00 0.09 0.00 0.00 40.66 41.52 3k0f h LEU 94 CO 0.93 1.65 0.64 0.00 0.09 0.00 0.00 178.44 181.75 3k0f h ALA 95 N 0.09 2.08 -0.52 1.53 0.00 -1.90 0.94 119.26 121.48 3k0f h ALA 95 Ca -0.26 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 3k0f h ALA 95 Cb 1.97 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.82 3k0f h ALA 95 CO 0.19 -0.58 -0.15 -0.22 0.00 0.00 0.00 179.25 178.49 3k0f h LYS 96 N 0.40 1.02 -0.09 0.00 3.64 -1.99 -1.03 116.57 118.53 3k0f h LYS 96 Ca 0.67 -0.40 -0.10 0.00 -1.27 0.00 0.00 60.65 59.55 3k0f h LYS 96 Cb 1.57 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.33 3k0f h LYS 96 CO -0.44 1.09 -0.39 -0.07 -2.27 0.00 0.00 179.45 177.37 3k0f h LEU 97 N 0.89 0.19 -0.54 5.20 3.38 0.61 -1.90 115.31 123.14 3k0f h LEU 97 Ca 0.13 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 3k0f h LEU 97 Cb 0.73 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3k0f h LEU 97 CO 0.06 0.57 -0.24 0.58 0.09 0.00 0.00 178.44 179.49 3k0f h VAL 98 N 0.16 1.27 -0.87 1.22 2.07 -0.03 -1.79 116.25 118.27 3k0f h VAL 98 Ca 0.02 -1.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 3k0f h VAL 98 Cb 0.76 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 3k0f h VAL 98 CO 0.06 0.48 0.51 0.44 0.02 0.00 0.00 177.57 179.07 3k0f h ASP 99 N 0.79 1.07 -0.33 0.57 5.19 -0.60 -2.83 116.42 120.27 3k0f h ASP 99 Ca 0.10 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 3k0f h ASP 99 Cb 0.80 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 40.04 3k0f h ASP 99 CO 0.07 0.84 0.00 -0.62 -3.12 0.00 0.00 179.24 176.40 3k0f n GLU 100 N -4.39 2.66 -3.83 3.56 1.02 -0.77 -4.93 120.64 113.96 3k0f n GLU 100 Ca 0.09 -1.56 -0.29 0.00 -0.02 0.00 0.00 57.16 55.39 3k0f n GLU 100 Cb 0.07 -1.71 0.04 0.00 -0.02 0.00 0.00 31.44 29.83 3k0f n GLU 100 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k0f n GLY 101 N 0.58 -0.51 0.03 0.62 0.00 -1.07 -4.85 105.19 99.98 3k0f n GLY 101 Ca 0.14 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.38 3k0f n GLY 101 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3k0f n LYS 102 N -4.78 1.27 -4.25 1.61 4.76 -0.69 -4.93 118.16 111.15 3k0f n LYS 102 Ca 0.04 -0.06 -0.17 0.00 -2.87 0.00 0.00 58.31 55.25 3k0f n LYS 102 Cb 0.53 -1.27 -0.13 0.00 -1.84 0.00 0.00 35.03 32.32 3k0f n LYS 102 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3k0f s LEU 103 N -4.26 2.14 -0.16 -0.35 2.96 -1.11 -0.53 118.68 117.37 3k0f s LEU 103 Ca -0.05 -0.36 -0.03 0.00 -0.22 0.00 0.00 54.13 53.47 3k0f s LEU 103 Cb 0.05 -0.41 0.05 0.00 0.50 0.00 0.00 46.19 46.39 3k0f s LEU 103 CO 0.45 -0.01 0.04 0.12 -1.32 0.00 0.00 176.35 175.64 3k0f s PHE 104 N -0.74 0.76 -0.50 5.38 5.36 -0.42 -4.10 117.98 123.73 3k0f s PHE 104 Ca -0.01 -0.59 -0.24 0.00 -0.96 0.00 0.00 56.93 55.13 3k0f s PHE 104 Cb -0.07 -0.90 0.03 0.00 -0.34 0.00 0.00 43.02 41.75 3k0f s PHE 104 CO 0.00 -0.53 0.87 0.42 -1.46 0.00 0.00 175.22 174.52 3k0f s ILE 105 N 1.94 4.52 -0.50 3.12 1.01 -1.26 -1.25 121.20 128.79 3k0f s ILE 105 Ca 0.01 0.36 -0.21 0.00 0.00 0.00 0.00 60.65 60.81 3k0f s ILE 105 Cb -0.16 -4.43 0.04 0.00 0.01 0.00 0.00 42.46 37.92 3k0f s ILE 105 CO -0.08 -0.91 0.71 -0.22 0.00 0.00 0.00 174.94 174.44 3k0f s LEU 106 N 3.61 4.61 -0.35 2.97 2.96 0.47 -4.96 118.68 127.99 3k0f s LEU 106 Ca 0.30 -0.60 -0.29 0.00 -0.22 0.00 0.00 54.13 53.33 3k0f s LEU 106 Cb -0.12 -2.63 0.02 0.00 0.50 0.00 0.00 46.19 43.95 3k0f s LEU 106 CO 0.21 -0.95 1.10 -0.62 -1.32 0.00 0.00 176.35 174.78 3k0f s ASP 107 N 2.53 6.86 0.00 3.68 -1.08 -1.26 -1.68 116.67 125.71 3k0f s ASP 107 Ca 0.21 0.95 0.02 0.00 -0.52 0.00 0.00 52.55 53.22 3k0f s ASP 107 Cb -0.16 -2.54 0.04 0.00 -1.46 0.00 0.00 42.92 38.79 3k0f s ASP 107 CO 0.16 -0.97 0.84 0.00 0.52 0.00 0.00 175.17 175.72 3k0f n ALA 108 N 7.11 2.23 -1.74 3.66 0.00 0.11 -4.96 120.51 126.91 3k0f n ALA 108 Ca 0.12 -0.81 -0.37 0.00 0.00 0.00 0.00 53.44 52.38 3k0f n ALA 108 Cb 0.47 -0.07 0.05 0.00 0.00 0.00 0.00 19.45 19.90 3k0f n ALA 108 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3k0f s SER 109 N -0.65 4.96 0.69 0.00 1.04 -1.01 -4.74 113.70 113.99 3k0f s SER 109 Ca 0.03 2.54 -0.11 0.00 0.48 0.00 0.00 55.95 58.89 3k0f s SER 109 Cb 0.02 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.53 3k0f s SER 109 CO 0.03 -1.76 1.08 -2.84 0.98 0.00 0.00 173.24 170.73 3k0f s PRO 110 N -3.28 3.02 0.20 4.02 0.02 -1.25 -5.03 135.00 132.71 3k0f s PRO 110 Ca 0.79 0.56 -0.14 0.00 0.02 0.00 0.00 61.00 62.22 3k0f s PRO 110 Cb -0.35 -2.03 -0.08 0.00 0.02 0.00 0.00 34.50 32.06 3k0f s PRO 110 CO 0.38 -0.94 0.61 0.34 -0.33 0.00 0.00 177.00 177.06 3k0f s ASP 111 N -4.28 6.82 0.00 2.53 -1.08 -1.26 -4.92 116.67 114.48 3k0f s ASP 111 Ca 0.57 1.14 0.00 0.00 -0.52 0.00 0.00 52.55 53.74 3k0f s ASP 111 Cb -0.11 -2.31 0.00 0.00 -1.46 0.00 0.00 42.92 39.04 3k0f s ASP 111 CO 0.53 0.01 0.00 -2.65 0.52 0.00 0.00 175.17 173.58 3k0f n PRO 112 N 0.43 0.00 -3.00 4.34 -0.02 -1.26 -3.34 135.00 132.15 3k0f n PRO 112 Ca -0.02 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.29 3k0f n PRO 112 Cb 0.52 -1.39 -0.02 0.00 -0.02 0.00 0.00 33.50 32.59 3k0f n PRO 112 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3k0f n GLU 113 N 0.89 0.67 -0.79 -0.52 -0.58 -1.26 -5.15 120.64 113.90 3k0f n GLU 113 Ca 0.00 -2.54 -0.30 0.00 -0.42 0.00 0.00 57.16 53.90 3k0f n GLU 113 Cb 0.00 -1.38 0.17 0.00 -0.57 0.00 0.00 31.44 29.66 3k0f n GLU 113 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3k0f s GLY 114 N -1.10 1.65 0.18 0.62 0.00 -1.21 -5.08 107.32 102.38 3k0f s GLY 114 Ca 0.33 0.34 0.04 0.00 0.00 0.00 0.00 44.72 45.43 3k0f s GLY 114 CO -0.17 0.82 0.16 -1.06 0.00 0.00 0.00 173.10 172.85 3k0f n GLN 115 N -4.24 0.23 -3.45 2.90 6.02 -1.26 -5.14 117.38 112.44 3k0f n GLN 115 Ca 0.09 -1.73 -0.19 0.00 -0.01 0.00 0.00 57.00 55.16 3k0f n GLN 115 Cb 0.53 1.45 -0.01 0.00 1.02 0.00 0.00 30.24 33.23 3k0f n GLN 115 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3k0f s GLU 116 N -2.68 2.94 0.00 -1.09 0.41 -1.26 -4.98 118.70 112.04 3k0f s GLU 116 Ca 0.20 -1.15 0.00 0.00 -0.41 0.00 0.00 54.97 53.61 3k0f s GLU 116 Cb 0.01 -2.71 0.00 0.00 -1.78 0.00 0.00 34.13 29.65 3k0f s GLU 116 CO 0.14 -0.02 0.00 0.28 -0.49 0.00 0.00 175.26 175.18 3k0f n VAL 117 N -1.62 0.00 -2.92 2.63 0.31 -1.26 -5.04 118.33 110.42 3k0f n VAL 117 Ca 0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.23 3k0f n VAL 117 Cb 0.59 -1.13 -0.01 0.00 -0.91 0.00 0.00 33.84 32.38 3k0f n VAL 117 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3k0f n VAL 118 N 1.81 -0.30 -0.97 2.52 0.24 -1.26 -4.99 118.33 115.38 3k0f n VAL 118 Ca 0.00 -1.96 0.01 0.00 -2.04 0.00 0.00 64.34 60.35 3k0f n VAL 118 Cb 0.00 0.31 0.01 0.00 -1.47 0.00 0.00 33.84 32.69 3k0f n VAL 118 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k0f n GLY 119 N 2.34 -0.59 0.93 7.63 0.00 -1.26 -4.81 105.19 109.43 3k0f n GLY 119 Ca 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3k0f n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k0f n GLY 120 N -0.20 -0.07 0.06 -0.02 0.00 -1.26 -4.77 105.19 98.92 3k0f n GLY 120 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 3k0f n GLY 120 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3k0f n PHE 121 N -1.79 0.34 0.02 1.61 1.16 -1.26 -2.34 117.46 115.20 3k0f n PHE 121 Ca 0.00 0.14 -0.20 0.00 -1.87 0.00 0.00 57.45 55.53 3k0f n PHE 121 Cb 0.00 -0.73 -0.14 0.00 -1.61 0.00 0.00 39.48 37.00 3k0f n PHE 121 CO 0.00 0.00 0.00 0.38 -1.87 0.00 0.00 176.76 175.27 3k0f h ASP 122 N 0.00 0.39 -0.47 5.98 2.03 -1.90 -2.61 116.42 119.84 3k0f h ASP 122 Ca 0.00 -0.79 0.03 0.00 -0.73 0.00 0.00 57.03 55.54 3k0f h ASP 122 Cb 0.23 -0.13 -0.04 0.00 -0.83 0.00 0.00 39.33 38.57 3k0f h ASP 122 CO 0.00 1.70 0.26 0.25 -1.03 0.00 0.00 179.24 180.42 3k0f h LEU 123 N 0.07 0.40 -0.58 0.15 7.12 -1.76 -0.16 115.31 120.55 3k0f h LEU 123 Ca -0.38 0.01 -0.16 0.00 0.13 0.00 0.00 57.88 57.49 3k0f h LEU 123 Cb 2.04 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 42.09 3k0f h LEU 123 CO 0.11 0.28 -0.67 0.77 -0.13 0.00 0.00 178.44 178.80 3k0f h SER 124 N 0.52 0.22 0.32 1.25 4.64 -1.66 -2.84 113.55 115.99 3k0f h SER 124 Ca 0.20 -0.14 -0.06 0.00 -0.47 0.00 0.00 61.79 61.32 3k0f h SER 124 Cb 0.06 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3k0f h SER 124 CO -0.11 0.83 -0.28 0.00 -0.87 0.00 0.00 176.83 176.39 3k0f h ALA 125 N 1.17 1.47 -0.19 5.18 0.00 -0.99 -1.03 119.26 124.88 3k0f h ALA 125 Ca -0.01 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 3k0f h ALA 125 Cb 1.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3k0f h ALA 125 CO 0.10 0.35 -0.42 1.25 0.00 0.00 0.00 179.25 180.53 3k0f h LEU 126 N 0.00 0.69 -0.48 0.00 5.85 -0.83 -2.70 115.31 117.85 3k0f h LEU 126 Ca -0.00 -0.56 -0.09 0.00 0.84 0.00 0.00 57.88 58.07 3k0f h LEU 126 Cb 0.51 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3k0f h LEU 126 CO 0.04 1.13 -0.06 0.40 -0.34 0.00 0.00 178.44 179.61 3k0f h ILE 127 N 0.29 1.27 -0.62 4.05 1.08 -1.26 -0.15 117.51 122.17 3k0f h ILE 127 Ca 0.00 -1.16 0.10 0.00 -0.39 0.00 0.00 64.86 63.42 3k0f h ILE 127 Cb 1.02 1.05 -0.08 0.00 -3.07 0.00 0.00 36.82 35.75 3k0f h ILE 127 CO 0.09 0.40 0.21 -0.33 -0.69 0.00 0.00 178.15 177.83 3k0f h GLU 128 N 0.73 0.37 0.27 2.37 5.08 -1.21 0.29 114.58 122.48 3k0f h GLU 128 Ca 0.13 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3k0f h GLU 128 Cb 0.59 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3k0f h GLU 128 CO 0.04 0.24 -0.13 0.00 -1.00 0.00 0.00 179.01 178.16 3k0f h ARG 129 N 0.38 -0.34 -0.86 2.33 3.08 -1.24 0.57 114.38 118.29 3k0f h ARG 129 Ca 0.32 0.02 0.19 0.00 0.07 0.00 0.00 59.98 60.58 3k0f h ARG 129 Cb 0.42 0.08 -0.16 0.00 0.08 0.00 0.00 29.97 30.39 3k0f h ARG 129 CO -0.34 -0.23 -0.14 0.82 -1.07 0.00 0.00 179.97 179.01 3k0f h ILE 130 N -0.49 0.16 -0.34 2.04 2.04 -0.89 0.97 117.51 121.00 3k0f h ILE 130 Ca -0.04 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 3k0f h ILE 130 Cb 0.27 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 3k0f h ILE 130 CO 0.06 0.00 0.17 -1.13 0.00 0.00 0.00 178.15 177.25 3k0f h ASN 131 N 0.02 0.44 0.18 1.72 -1.24 -0.48 0.72 115.58 116.93 3k0f h ASN 131 Ca 0.44 -0.12 0.01 0.00 0.71 0.00 0.00 56.30 57.34 3k0f h ASN 131 Cb 0.73 -0.11 -0.04 0.00 0.73 0.00 0.00 38.32 39.62 3k0f h ASN 131 CO -0.85 0.44 -0.48 0.22 -1.29 0.00 0.00 177.43 175.46 3k0f h TYR 132 N 0.42 -1.37 -0.54 0.67 3.20 0.30 0.49 116.97 120.14 3k0f h TYR 132 Ca 0.12 0.03 0.09 0.00 3.14 0.00 0.00 58.73 62.11 3k0f h TYR 132 Cb 0.11 0.58 -0.07 0.00 1.54 0.00 0.00 36.73 38.88 3k0f h TYR 132 CO -0.02 -0.58 0.16 0.00 -1.64 0.00 0.00 178.16 176.08 3k0f h ALA 133 N -0.43 0.65 -0.62 1.82 0.00 0.82 0.19 119.26 121.70 3k0f h ALA 133 Ca -0.00 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.07 3k0f h ALA 133 Cb 0.75 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 3k0f h ALA 133 CO -0.24 -0.26 0.30 0.82 0.00 0.00 0.00 179.25 179.88 3k0f h ILE 134 N 0.31 0.89 -0.13 0.00 2.04 0.12 -1.82 117.51 118.92 3k0f h ILE 134 Ca 0.27 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.90 3k0f h ILE 134 Cb 0.35 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 3k0f h ILE 134 CO -0.31 0.10 -0.08 1.56 0.00 0.00 0.00 178.15 179.41 3k0f h GLN 135 N 0.55 0.29 0.55 2.37 4.20 0.12 -1.18 115.11 122.01 3k0f h GLN 135 Ca 0.29 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 3k0f h GLN 135 Cb 0.26 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 3k0f h GLN 135 CO -0.22 0.65 -0.42 -0.22 -0.67 0.00 0.00 178.83 177.95 3k0f h LYS 136 N -0.06 -0.91 -0.00 1.46 3.64 -0.33 -3.08 116.57 117.29 3k0f h LYS 136 Ca 0.03 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3k0f h LYS 136 Cb 0.57 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 3k0f h LYS 136 CO 0.02 -0.60 -0.21 0.66 -2.27 0.00 0.00 179.45 177.05 3k0f n TYR 137 N -5.53 0.00 -3.03 1.91 4.02 -0.72 -4.95 117.16 108.86 3k0f n TYR 137 Ca -0.12 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.64 3k0f n TYR 137 Cb 0.42 -0.31 0.06 0.00 -0.02 0.00 0.00 39.34 39.50 3k0f n TYR 137 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3k0f n ARG 138 N -1.31 -4.74 -2.39 -0.72 1.74 -0.53 -4.83 116.66 103.89 3k0f n ARG 138 Ca 0.09 0.59 -0.38 0.00 -0.77 0.00 0.00 57.85 57.37 3k0f n ARG 138 Cb 0.32 -4.85 -0.03 0.00 -1.02 0.00 0.00 32.46 26.88 3k0f n ARG 138 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3k0f s ALA 139 N -3.25 3.22 -0.20 7.54 0.00 -0.73 -4.38 121.76 123.96 3k0f s ALA 139 Ca 0.06 0.90 0.13 0.00 0.00 0.00 0.00 51.96 53.04 3k0f s ALA 139 Cb -0.02 -3.35 -0.18 0.00 0.00 0.00 0.00 23.12 19.57 3k0f s ALA 139 CO 0.51 -0.36 0.36 0.54 0.00 0.00 0.00 175.76 176.81 3k0f n ARG 140 N 0.38 1.20 -4.17 0.00 5.12 -0.20 -4.93 116.66 114.06 3k0f n ARG 140 Ca 0.03 -0.08 -0.18 0.00 -1.93 0.00 0.00 57.85 55.69 3k0f n ARG 140 Cb 0.46 -1.24 -0.12 0.00 -1.16 0.00 0.00 32.46 30.41 3k0f n ARG 140 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3k0f s ARG 141 N -2.66 0.82 0.05 5.56 0.52 -1.10 -3.65 118.95 118.49 3k0f s ARG 141 Ca -0.02 -0.96 0.02 0.00 -0.52 0.00 0.00 55.73 54.26 3k0f s ARG 141 Cb 0.09 -0.82 -0.03 0.00 0.52 0.00 0.00 34.95 34.71 3k0f s ARG 141 CO 0.53 0.18 -0.08 0.08 0.02 0.00 0.00 175.30 176.03 3k0f s VAL 142 N -1.29 0.56 -0.15 3.52 1.01 -1.17 -1.23 120.40 121.65 3k0f s VAL 142 Ca -0.02 -1.22 -0.04 0.00 0.00 0.00 0.00 61.98 60.70 3k0f s VAL 142 Cb -0.10 -0.78 0.07 0.00 0.00 0.00 0.00 36.38 35.57 3k0f s VAL 142 CO 0.02 -0.46 0.20 -0.44 0.00 0.00 0.00 175.10 174.42 3k0f s SER 143 N -1.82 1.01 -0.29 3.32 0.01 -0.32 -2.08 113.70 113.54 3k0f s SER 143 Ca -0.06 0.11 -0.09 0.00 1.31 0.00 0.00 55.95 57.21 3k0f s SER 143 Cb -0.07 0.38 -0.02 0.00 0.21 0.00 0.00 66.02 66.51 3k0f s SER 143 CO -0.00 -0.28 0.14 -0.63 0.41 0.00 0.00 173.24 172.87 3k0f s ILE 144 N 2.32 4.69 -0.42 1.44 1.01 -0.46 -0.51 121.20 129.28 3k0f s ILE 144 Ca 0.04 -0.21 -0.20 0.00 0.00 0.00 0.00 60.65 60.29 3k0f s ILE 144 Cb -0.14 -3.30 0.02 0.00 0.01 0.00 0.00 42.46 39.05 3k0f s ILE 144 CO -0.09 0.19 0.61 -0.62 0.00 0.00 0.00 174.94 175.02 3k0f s ASP 145 N 1.65 6.31 -0.52 3.58 3.68 -0.21 -2.07 116.67 129.10 3k0f s ASP 145 Ca 0.06 -0.32 -0.01 0.00 2.13 0.00 0.00 52.55 54.41 3k0f s ASP 145 Cb -0.16 -2.30 0.00 0.00 -1.45 0.00 0.00 42.92 39.00 3k0f s ASP 145 CO 0.07 -0.72 0.50 -1.54 0.13 0.00 0.00 175.17 173.61 3k0f n SER 146 N 6.12 -6.21 0.21 -0.34 3.41 -0.91 -3.46 113.62 112.45 3k0f n SER 146 Ca -0.03 -0.02 0.15 0.00 -0.26 0.00 0.00 58.87 58.71 3k0f n SER 146 Cb 0.48 -4.13 0.68 0.00 -0.26 0.00 0.00 64.21 60.98 3k0f n SER 146 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 3k0f h VAL 147 N 0.40 0.00 0.02 -3.33 -1.51 -1.66 -2.96 116.25 107.20 3k0f h VAL 147 Ca 0.00 -0.23 0.03 0.00 -1.23 0.00 0.00 66.70 65.27 3k0f h VAL 147 Cb 0.98 1.03 -0.04 0.00 -2.13 0.00 0.00 31.29 31.14 3k0f h VAL 147 CO 0.21 0.00 -0.25 0.74 -1.23 0.00 0.00 177.57 177.05 3k0f h THR 148 N 0.00 0.44 -0.03 7.19 2.02 -1.91 -2.51 112.91 118.12 3k0f h THR 148 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 3k0f h THR 148 Cb 0.28 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 3k0f h THR 148 CO 0.00 0.00 0.28 0.77 0.37 0.00 0.00 175.52 176.94 3k0f h SER 149 N -0.39 0.00 -0.21 4.18 4.64 -1.89 -2.58 113.55 117.30 3k0f h SER 149 Ca 0.06 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.25 3k0f h SER 149 Cb 0.47 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3k0f h SER 149 CO -0.21 0.00 -0.35 1.62 -0.87 0.00 0.00 176.83 177.02 3k0f h VAL 150 N 0.00 1.33 0.00 0.95 3.04 -1.63 -3.18 116.25 116.76 3k0f h VAL 150 Ca 0.01 -1.56 0.00 0.00 -1.01 0.00 0.00 66.70 64.14 3k0f h VAL 150 Cb 0.58 1.81 0.00 0.00 -2.01 0.00 0.00 31.29 31.67 3k0f h VAL 150 CO -0.00 0.48 -0.28 -0.26 -1.01 0.00 0.00 177.57 176.51 3k0f h PHE 151 N 0.29 0.00 0.00 3.17 -1.00 -1.60 -3.36 116.94 114.44 3k0f h PHE 151 Ca 0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.80 3k0f h PHE 151 Cb 0.94 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.50 3k0f h PHE 151 CO 0.09 0.00 0.00 1.04 -1.61 0.00 0.00 178.31 177.83 3k0f n GLN 152 N -2.28 0.30 -0.07 1.51 1.13 -1.11 -2.84 117.38 114.01 3k0f n GLN 152 Ca 0.04 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 55.03 3k0f n GLN 152 Cb 0.45 -1.35 -0.11 0.00 0.11 0.00 0.00 30.24 29.33 3k0f n GLN 152 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3k0f n GLN 153 N 1.72 1.52 0.00 -1.09 6.02 -1.26 -4.96 117.38 119.34 3k0f n GLN 153 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 3k0f n GLN 153 Cb 0.15 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 30.04 3k0f n GLN 153 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 177.06 178.53 3k0f n TYR 154 N -2.59 0.00 -4.08 1.08 0.18 -1.13 -5.14 117.16 105.47 3k0f n TYR 154 Ca -0.24 0.00 -0.25 0.00 1.88 0.00 0.00 57.90 59.29 3k0f n TYR 154 Cb 0.95 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.85 3k0f n TYR 154 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3k0f s ASP 155 N 0.00 4.49 0.11 9.48 -0.00 -1.19 -5.15 116.67 124.41 3k0f s ASP 155 Ca 0.00 -1.11 0.07 0.00 -0.00 0.00 0.00 52.55 51.50 3k0f s ASP 155 Cb 0.00 -0.29 -0.03 0.00 -0.00 0.00 0.00 42.92 42.59 3k0f s ASP 155 CO 0.00 -0.66 -0.17 0.00 -0.00 0.00 0.00 175.17 174.35 3k0f s ALA 156 N -2.63 1.57 0.08 5.23 0.00 -1.26 -5.00 121.76 119.74 3k0f s ALA 156 Ca 0.38 -1.22 -0.15 0.00 0.00 0.00 0.00 51.96 50.97 3k0f s ALA 156 Cb 0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 3k0f s ALA 156 CO 0.22 0.22 0.83 -1.13 0.00 0.00 0.00 175.76 175.89 3k0f n SER 157 N 0.88 -0.51 -0.29 0.00 3.41 -1.26 -0.00 113.62 115.83 3k0f n SER 157 Ca -0.18 0.94 0.04 0.00 -0.26 0.00 0.00 58.87 59.42 3k0f n SER 157 Cb 0.55 -0.15 0.19 0.00 -0.26 0.00 0.00 64.21 64.54 3k0f n SER 157 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3k0f h SER 158 N 0.00 0.63 0.21 4.04 4.64 -1.97 0.98 113.55 122.08 3k0f h SER 158 Ca 0.08 0.06 -0.13 0.00 -0.47 0.00 0.00 61.79 61.33 3k0f h SER 158 Cb 0.20 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 3k0f h SER 158 CO -0.45 0.33 -0.49 0.58 -0.87 0.00 0.00 176.83 175.93 3k0f h VAL 159 N 0.74 1.33 -0.09 0.95 2.07 -0.84 -2.86 116.25 117.54 3k0f h VAL 159 Ca 0.42 -1.71 -0.03 0.00 0.82 0.00 0.00 66.70 66.21 3k0f h VAL 159 Cb 0.46 1.78 -0.00 0.00 -1.52 0.00 0.00 31.29 32.01 3k0f h VAL 159 CO -0.29 0.51 -0.05 0.58 0.02 0.00 0.00 177.57 178.35 3k0f h VAL 160 N 0.25 1.33 -0.97 2.57 2.07 0.18 -2.54 116.25 119.14 3k0f h VAL 160 Ca 0.01 -1.08 0.16 0.00 0.82 0.00 0.00 66.70 66.61 3k0f h VAL 160 Cb 0.95 1.85 -0.10 0.00 -1.52 0.00 0.00 31.29 32.48 3k0f h VAL 160 CO 0.08 0.30 0.58 -0.09 0.02 0.00 0.00 177.57 178.47 3k0f h ARG 161 N -0.17 0.79 -0.00 1.57 2.43 0.92 -0.67 114.38 119.25 3k0f h ARG 161 Ca 0.02 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3k0f h ARG 161 Cb 0.51 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3k0f h ARG 161 CO 0.01 0.53 -0.00 -0.09 -1.51 0.00 0.00 179.97 178.91 3k0f h ARG 162 N 0.82 0.00 -0.74 0.20 2.43 -1.47 -1.36 114.38 114.25 3k0f h ARG 162 Ca 0.53 -0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.82 3k0f h ARG 162 Cb 0.70 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.17 3k0f h ARG 162 CO -0.34 0.62 0.34 0.93 -1.51 0.00 0.00 179.97 180.01 3k0f h GLU 163 N -0.62 0.51 -0.01 0.20 4.39 -1.09 0.97 114.58 118.94 3k0f h GLU 163 Ca -0.00 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 3k0f h GLU 163 Cb 0.62 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 3k0f h GLU 163 CO 0.00 0.34 0.00 1.25 -1.16 0.00 0.00 179.01 179.44 3k0f h LEU 164 N 0.53 0.01 -0.79 1.33 6.46 -1.15 -1.72 115.31 119.98 3k0f h LEU 164 Ca 0.39 -0.24 0.18 0.00 -0.12 0.00 0.00 57.88 58.09 3k0f h LEU 164 Cb 0.52 -0.00 -0.12 0.00 -0.73 0.00 0.00 40.66 40.33 3k0f h LEU 164 CO -0.34 0.25 0.23 0.15 -0.62 0.00 0.00 178.44 178.11 3k0f h PHE 165 N -0.23 0.37 0.19 1.25 3.57 -0.05 -0.28 116.94 121.77 3k0f h PHE 165 Ca 0.00 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 3k0f h PHE 165 Cb 0.24 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 3k0f h PHE 165 CO 0.01 -0.09 -0.11 -0.09 -2.23 0.00 0.00 178.31 175.80 3k0f h ARG 166 N 0.30 -0.28 -0.37 1.11 2.43 -0.54 -0.86 114.38 116.16 3k0f h ARG 166 Ca 0.46 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.67 3k0f h ARG 166 Cb 0.82 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.41 3k0f h ARG 166 CO -0.53 -0.19 0.20 1.25 -1.51 0.00 0.00 179.97 179.19 3k0f h LEU 167 N -0.30 0.31 -0.48 3.80 5.85 -0.31 -1.18 115.31 123.00 3k0f h LEU 167 Ca -0.02 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.74 3k0f h LEU 167 Cb 0.24 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3k0f h LEU 167 CO 0.02 0.23 0.27 0.58 -0.34 0.00 0.00 178.44 179.20 3k0f h VAL 168 N 0.41 1.02 0.68 1.05 2.07 -1.00 -2.16 116.25 118.33 3k0f h VAL 168 Ca 0.15 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 3k0f h VAL 168 Cb 0.04 0.44 0.01 0.00 -1.52 0.00 0.00 31.29 30.25 3k0f h VAL 168 CO -0.09 0.10 -0.33 0.00 0.02 0.00 0.00 177.57 177.27 3k0f h ALA 169 N 1.22 -0.91 -0.97 1.67 0.00 -0.81 -2.27 119.26 117.19 3k0f h ALA 169 Ca 0.20 -0.22 0.17 0.00 0.00 0.00 0.00 54.91 55.06 3k0f h ALA 169 Cb 0.04 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 18.10 3k0f h ALA 169 CO -0.10 -0.94 0.61 0.00 0.00 0.00 0.00 179.25 178.82 3k0f h ARG 170 N -1.06 0.69 -0.25 0.00 2.47 -1.20 0.25 114.38 115.27 3k0f h ARG 170 Ca -0.09 -0.04 -0.08 0.00 -1.26 0.00 0.00 59.98 58.51 3k0f h ARG 170 Cb 0.73 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.88 3k0f h ARG 170 CO 0.15 0.46 -0.18 -0.07 0.56 0.00 0.00 179.97 180.89 3k0f h LEU 171 N 0.72 0.43 -0.29 3.04 3.38 -1.29 -1.72 115.31 119.57 3k0f h LEU 171 Ca 0.52 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.35 3k0f h LEU 171 Cb 0.86 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3k0f h LEU 171 CO -0.29 0.63 0.11 0.11 0.09 0.00 0.00 178.44 179.10 3k0f h LYS 172 N 0.40 0.45 -0.70 1.13 1.57 0.06 -1.55 116.57 117.93 3k0f h LYS 172 Ca 0.07 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3k0f h LYS 172 Cb 0.55 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 3k0f h LYS 172 CO 0.04 0.48 0.45 1.96 -0.57 0.00 0.00 179.45 181.80 3k0f h GLN 173 N 0.32 0.86 0.00 3.15 4.20 -1.06 -0.40 115.11 122.19 3k0f h GLN 173 Ca 0.10 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 3k0f h GLN 173 Cb 0.20 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 3k0f h GLN 173 CO -0.01 0.57 -0.04 0.82 -0.67 0.00 0.00 178.83 179.50 3k0f h ILE 174 N 0.89 0.29 -0.07 2.54 1.08 -0.89 -3.46 117.51 117.88 3k0f h ILE 174 Ca 0.27 -0.27 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 3k0f h ILE 174 Cb -0.03 1.20 -0.00 0.00 -3.07 0.00 0.00 36.82 34.92 3k0f h ILE 174 CO -0.09 0.04 -0.01 0.61 -0.69 0.00 0.00 178.15 178.01 3k0f n GLY 175 N -0.81 0.36 3.80 5.37 0.00 -0.16 -5.04 105.19 108.70 3k0f n GLY 175 Ca -0.02 -0.90 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 3k0f n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k0f s ALA 176 N -2.03 3.68 -0.83 4.61 0.00 -1.05 -4.62 121.76 121.52 3k0f s ALA 176 Ca 0.00 -0.40 -0.20 0.00 0.00 0.00 0.00 51.96 51.36 3k0f s ALA 176 Cb 0.00 -2.31 0.11 0.00 0.00 0.00 0.00 23.12 20.92 3k0f s ALA 176 CO 0.00 0.33 1.06 0.99 0.00 0.00 0.00 175.76 178.14 3k0f s THR 177 N -0.38 4.61 0.28 0.00 2.01 -1.24 -3.87 115.64 117.05 3k0f s THR 177 Ca 0.19 -1.20 -0.01 0.00 0.31 0.00 0.00 61.69 60.98 3k0f s THR 177 Cb -0.14 -4.74 -0.04 0.00 0.01 0.00 0.00 72.50 67.59 3k0f s THR 177 CO 0.07 -1.47 0.49 -0.89 -0.69 0.00 0.00 174.62 172.13 3k0f s THR 178 N 3.09 5.12 -0.19 -0.82 2.01 -1.02 -3.06 115.64 120.77 3k0f s THR 178 Ca 0.28 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.00 3k0f s THR 178 Cb -0.09 -3.78 0.05 0.00 0.01 0.00 0.00 72.50 68.68 3k0f s THR 178 CO -0.03 -0.35 -0.07 -0.69 -0.69 0.00 0.00 174.62 172.79 3k0f s VAL 179 N -2.08 1.36 0.00 3.82 1.01 -0.88 -0.95 120.40 122.68 3k0f s VAL 179 Ca 0.40 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.51 3k0f s VAL 179 Cb -0.10 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 3k0f s VAL 179 CO 0.32 0.09 0.06 -0.04 0.00 0.00 0.00 175.10 175.52 3k0f s MET 180 N 1.51 2.97 -0.17 2.72 1.00 0.95 -1.36 119.30 126.92 3k0f s MET 180 Ca -0.01 -0.54 -0.00 0.00 0.00 0.00 0.00 55.69 55.14 3k0f s MET 180 Cb -0.16 -2.79 0.00 0.00 0.00 0.00 0.00 34.83 31.88 3k0f s MET 180 CO -0.08 0.63 -0.15 0.99 0.00 0.00 0.00 175.02 176.42 3k0f s THR 181 N -1.17 2.66 0.37 2.05 2.01 -0.88 0.39 115.64 121.06 3k0f s THR 181 Ca 0.22 -0.76 0.09 0.00 0.31 0.00 0.00 61.69 61.55 3k0f s THR 181 Cb -0.12 -2.13 -0.06 0.00 0.01 0.00 0.00 72.50 70.19 3k0f s THR 181 CO 0.13 0.51 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.66 3k0f s THR 182 N 0.99 2.28 0.25 -0.82 2.01 -0.48 -2.10 115.64 117.77 3k0f s THR 182 Ca -0.02 -2.05 0.12 0.00 0.31 0.00 0.00 61.69 60.04 3k0f s THR 182 Cb -0.15 -2.80 -0.05 0.00 0.01 0.00 0.00 72.50 69.51 3k0f s THR 182 CO -0.03 -0.13 -0.19 -1.83 -0.69 0.00 0.00 174.62 171.74 3k0f s GLU 183 N -3.69 1.69 0.08 4.92 -1.05 -1.26 -3.00 118.70 116.40 3k0f s GLU 183 Ca 0.34 -1.65 0.00 0.00 -0.15 0.00 0.00 54.97 53.52 3k0f s GLU 183 Cb 0.04 -1.84 -0.00 0.00 -0.44 0.00 0.00 34.13 31.89 3k0f s GLU 183 CO 0.18 0.36 0.01 0.54 0.95 0.00 0.00 175.26 177.30 3k0f n ARG 184 N -0.34 1.25 0.00 -4.83 1.74 -0.87 -2.52 116.66 111.09 3k0f n ARG 184 Ca -0.08 -0.61 0.00 0.00 -0.77 0.00 0.00 57.85 56.40 3k0f n ARG 184 Cb 0.58 0.26 0.00 0.00 -1.02 0.00 0.00 32.46 32.28 3k0f n ARG 184 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3k0f n ILE 185 N -0.18 0.00 -4.17 0.55 2.08 -1.26 -4.54 119.36 111.84 3k0f n ILE 185 Ca -0.02 0.00 -0.21 0.00 0.56 0.00 0.00 62.75 63.08 3k0f n ILE 185 Cb 0.11 0.62 -0.16 0.00 -0.75 0.00 0.00 39.64 39.45 3k0f n ILE 185 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 3k0f s GLU 186 N 0.00 0.91 0.55 0.38 -6.30 -1.26 -5.02 118.70 107.96 3k0f s GLU 186 Ca 0.00 -0.12 0.23 0.00 -2.50 0.00 0.00 54.97 52.58 3k0f s GLU 186 Cb 0.00 -0.92 1.46 0.00 0.00 0.00 0.00 34.13 34.68 3k0f s GLU 186 CO 0.00 -0.09 2.12 1.49 0.02 0.00 0.00 175.26 178.80 3k0f h GLU 187 N 7.27 0.00 0.00 4.30 4.57 -1.96 -2.76 114.58 125.99 3k0f h GLU 187 Ca -0.36 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.82 3k0f h GLU 187 Cb 1.15 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 3k0f h GLU 187 CO 0.45 0.00 -0.14 0.66 -1.18 0.00 0.00 179.01 178.80 3k0f n TYR 188 N -4.24 0.00 -0.23 0.92 4.02 -1.26 -4.95 117.16 111.41 3k0f n TYR 188 Ca 0.01 -0.56 0.00 0.00 -0.01 0.00 0.00 57.90 57.34 3k0f n TYR 188 Cb 0.26 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.48 3k0f n TYR 188 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3k0f n GLY 189 N -0.77 1.25 3.69 2.72 0.00 -1.04 -4.98 105.19 106.05 3k0f n GLY 189 Ca 0.08 -1.58 -0.38 0.00 0.00 0.00 0.00 46.02 44.14 3k0f n GLY 189 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3k0f n PRO 190 N 0.00 1.20 -0.18 1.61 -0.04 -1.26 -4.86 135.00 131.46 3k0f n PRO 190 Ca 0.00 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 3k0f n PRO 190 Cb 0.00 -2.42 0.25 0.00 -0.04 0.00 0.00 33.50 31.29 3k0f n PRO 190 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3k0f h ILE 191 N 0.77 1.19 -4.40 0.52 5.03 -1.93 -3.45 117.51 115.23 3k0f h ILE 191 Ca -0.50 -0.43 -0.42 0.00 -0.12 0.00 0.00 64.86 63.39 3k0f h ILE 191 Cb 1.34 0.24 -0.10 0.00 -3.03 0.00 0.00 36.82 35.27 3k0f h ILE 191 CO 0.53 0.20 -0.36 0.00 -0.68 0.00 0.00 178.15 177.84 3k0f n ALA 192 N -2.43 0.48 -0.26 1.87 0.00 -1.26 -4.68 120.51 114.23 3k0f n ALA 192 Ca 0.07 -1.59 -0.06 0.00 0.00 0.00 0.00 53.44 51.86 3k0f n ALA 192 Cb 0.07 1.14 0.05 0.00 0.00 0.00 0.00 19.45 20.71 3k0f n ALA 192 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3k0f h ARG 193 N 0.00 1.04 -0.12 0.00 2.43 -1.80 -3.28 114.38 112.64 3k0f h ARG 193 Ca -0.23 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 3k0f h ARG 193 Cb 0.95 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 3k0f h ARG 193 CO 0.36 0.81 0.00 0.66 -1.51 0.00 0.00 179.97 180.29 3k0f n TYR 194 N -4.42 0.13 -1.61 2.20 4.02 -1.26 -4.96 117.16 111.26 3k0f n TYR 194 Ca 0.06 -0.08 -0.11 0.00 -0.01 0.00 0.00 57.90 57.76 3k0f n TYR 194 Cb 0.13 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.42 3k0f n TYR 194 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3k0f n GLY 195 N 1.19 0.80 0.00 2.72 0.00 -1.24 -4.79 105.19 103.87 3k0f n GLY 195 Ca 0.13 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3k0f n GLY 195 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3k0f n VAL 196 N -3.12 0.00 -0.01 1.61 0.31 -1.26 -4.84 118.33 111.02 3k0f n VAL 196 Ca -0.12 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.16 3k0f n VAL 196 Cb 0.44 0.17 0.14 0.00 -0.91 0.00 0.00 33.84 33.68 3k0f n VAL 196 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3k0f h GLU 197 N 0.00 0.55 -0.49 5.55 3.07 -1.95 -3.14 114.58 118.18 3k0f h GLU 197 Ca 0.00 -0.24 0.08 0.00 -0.50 0.00 0.00 59.36 58.70 3k0f h GLU 197 Cb 0.00 -0.02 -0.07 0.00 -0.84 0.00 0.00 28.75 27.83 3k0f h GLU 197 CO 0.00 0.80 0.12 0.93 -1.40 0.00 0.00 179.01 179.46 3k0f h GLU 198 N 0.47 0.25 0.00 2.33 3.07 -1.93 -1.97 114.58 116.81 3k0f h GLU 198 Ca 0.06 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 3k0f h GLU 198 Cb 0.78 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 3k0f h GLU 198 CO 0.06 0.17 0.00 1.19 -1.40 0.00 0.00 179.01 179.03 3k0f n PHE 199 N -5.09 0.22 -0.04 4.33 3.72 -1.19 -3.52 117.46 115.89 3k0f n PHE 199 Ca 0.05 0.07 0.02 0.00 -0.05 0.00 0.00 57.45 57.55 3k0f n PHE 199 Cb 0.23 -0.62 -0.16 0.00 -0.94 0.00 0.00 39.48 38.00 3k0f n PHE 199 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3k0f n VAL 200 N -1.69 0.54 -2.95 -4.37 0.31 -0.81 -4.96 118.33 104.41 3k0f n VAL 200 Ca 0.05 -0.62 -0.37 0.00 -0.01 0.00 0.00 64.34 63.40 3k0f n VAL 200 Cb 0.29 -0.19 -0.06 0.00 -0.91 0.00 0.00 33.84 32.97 3k0f n VAL 200 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3k0f s SER 201 N -4.80 7.21 0.20 4.52 0.01 -0.81 -4.95 113.70 115.09 3k0f s SER 201 Ca -0.08 1.62 0.02 0.00 1.31 0.00 0.00 55.95 58.82 3k0f s SER 201 Cb 0.10 -2.50 0.13 0.00 0.21 0.00 0.00 66.02 63.96 3k0f s SER 201 CO 0.83 0.01 1.47 0.44 0.41 0.00 0.00 173.24 176.41 3k0f h ASP 202 N 3.42 0.31 -4.32 2.44 3.32 -1.88 -3.45 116.42 116.26 3k0f h ASP 202 Ca -0.47 -0.21 -0.38 0.00 0.02 0.00 0.00 57.03 55.99 3k0f h ASP 202 Cb 1.19 -0.09 -0.25 0.00 0.22 0.00 0.00 39.33 40.40 3k0f h ASP 202 CO 0.65 0.93 -0.77 0.20 -1.72 0.00 0.00 179.24 178.53 3k0f s ASN 203 N -6.92 1.23 -0.04 6.45 0.01 -1.25 -1.60 114.94 112.81 3k0f s ASN 203 Ca -0.04 -0.38 -0.01 0.00 -0.71 0.00 0.00 52.86 51.72 3k0f s ASN 203 Cb 0.11 -0.07 0.03 0.00 0.41 0.00 0.00 41.25 41.73 3k0f s ASN 203 CO 0.82 -0.01 0.03 -0.69 -1.51 0.00 0.00 177.10 175.74 3k0f s VAL 204 N -0.77 0.06 -0.10 1.60 1.01 -0.64 -1.08 120.40 120.48 3k0f s VAL 204 Ca -0.01 0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.25 3k0f s VAL 204 Cb -0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 36.05 3k0f s VAL 204 CO 0.01 0.17 -0.15 -0.69 0.00 0.00 0.00 175.10 174.44 3k0f s VAL 205 N 1.70 2.90 -0.17 2.92 1.01 0.26 -1.11 120.40 127.91 3k0f s VAL 205 Ca -0.01 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.25 3k0f s VAL 205 Cb -0.13 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.09 3k0f s VAL 205 CO -0.03 0.55 -0.19 -0.63 0.00 0.00 0.00 175.10 174.80 3k0f s ILE 206 N 0.01 2.21 -0.20 2.22 1.01 0.48 -1.76 121.20 125.17 3k0f s ILE 206 Ca -0.05 -0.90 -0.10 0.00 0.00 0.00 0.00 60.65 59.60 3k0f s ILE 206 Cb -0.14 -1.92 -0.05 0.00 0.01 0.00 0.00 42.46 40.35 3k0f s ILE 206 CO 0.04 0.53 0.13 -0.76 0.00 0.00 0.00 174.94 174.88 3k0f s LEU 207 N 1.14 4.21 0.14 2.97 1.43 -0.31 -0.44 118.68 127.82 3k0f s LEU 207 Ca 0.01 0.23 0.10 0.00 -1.03 0.00 0.00 54.13 53.44 3k0f s LEU 207 Cb -0.14 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 3k0f s LEU 207 CO -0.08 0.19 -0.22 -0.13 0.23 0.00 0.00 176.35 176.33 3k0f s ARG 208 N 0.33 1.31 -0.41 1.70 0.52 -0.67 -4.29 118.95 117.43 3k0f s ARG 208 Ca 0.08 -1.34 0.11 0.00 -0.52 0.00 0.00 55.73 54.06 3k0f s ARG 208 Cb -0.11 -1.60 0.39 0.00 0.52 0.00 0.00 34.95 34.15 3k0f s ARG 208 CO -0.02 0.36 0.90 -1.71 0.02 0.00 0.00 175.30 174.85 3k0f n ASN 209 N 0.69 2.45 -4.68 0.23 4.05 -1.26 -1.67 115.26 115.07 3k0f n ASN 209 Ca -0.16 -3.19 -0.42 0.00 0.45 0.00 0.00 54.58 51.25 3k0f n ASN 209 Cb 0.55 -0.55 -0.00 0.00 1.23 0.00 0.00 39.78 41.00 3k0f n ASN 209 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 3k0f n VAL 210 N -0.06 2.10 0.00 3.44 0.31 -1.12 -4.67 118.33 118.33 3k0f n VAL 210 Ca 0.24 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 3k0f n VAL 210 Cb 0.65 -1.48 0.00 0.00 -0.91 0.00 0.00 33.84 32.10 3k0f n VAL 210 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3k0f n LEU 211 N 0.73 0.00 -0.63 7.52 7.94 -1.26 -1.23 117.00 130.07 3k0f n LEU 211 Ca 0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.96 3k0f n LEU 211 Cb 0.36 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.31 3k0f n LEU 211 CO 0.61 0.00 0.00 1.21 -1.11 0.00 0.00 177.39 178.10 3k0f n GLU 212 N 0.00 0.00 -3.33 1.96 2.13 -1.24 -4.42 120.64 115.74 3k0f n GLU 212 Ca 0.00 0.23 -0.18 0.00 0.66 0.00 0.00 57.16 57.87 3k0f n GLU 212 Cb 0.00 -0.40 0.06 0.00 0.27 0.00 0.00 31.44 31.37 3k0f n GLU 212 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3k0f n GLY 213 N 0.83 -0.20 4.15 8.31 0.00 -1.26 -2.84 105.19 114.17 3k0f n GLY 213 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3k0f n GLY 213 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3k0f n GLU 214 N -3.94 0.00 -3.92 1.61 1.02 -1.26 -4.94 120.64 109.21 3k0f n GLU 214 Ca -0.00 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.93 3k0f n GLU 214 Cb 0.55 -4.00 -0.02 0.00 -0.02 0.00 0.00 31.44 27.95 3k0f n GLU 214 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3k0f s ARG 215 N -0.55 3.38 -0.05 3.49 1.81 -1.13 -5.11 118.95 120.79 3k0f s ARG 215 Ca 0.00 -0.80 0.06 0.00 -1.72 0.00 0.00 55.73 53.27 3k0f s ARG 215 Cb 0.00 -2.87 -0.01 0.00 -0.45 0.00 0.00 34.95 31.62 3k0f s ARG 215 CO 0.00 0.39 -0.24 1.03 -0.68 0.00 0.00 175.30 175.80 3k0f s ARG 216 N -4.00 2.45 -0.19 3.54 1.81 -1.26 -3.61 118.95 117.69 3k0f s ARG 216 Ca 0.35 -0.89 0.00 0.00 -1.72 0.00 0.00 55.73 53.48 3k0f s ARG 216 Cb -0.09 -2.16 0.04 0.00 -0.45 0.00 0.00 34.95 32.29 3k0f s ARG 216 CO 0.29 0.44 -0.09 0.50 -0.68 0.00 0.00 175.30 175.77 3k0f s ARG 217 N -0.32 1.86 -0.08 3.54 3.52 -0.36 -4.96 118.95 122.15 3k0f s ARG 217 Ca 0.01 -0.73 -0.23 0.00 -0.13 0.00 0.00 55.73 54.65 3k0f s ARG 217 Cb -0.13 -2.27 -0.04 0.00 -1.56 0.00 0.00 34.95 30.96 3k0f s ARG 217 CO 0.02 -0.42 0.69 1.03 -0.81 0.00 0.00 175.30 175.81 3k0f s ARG 218 N 1.47 4.42 0.31 5.12 0.52 -1.26 -2.80 118.95 126.72 3k0f s ARG 218 Ca -0.00 0.85 0.03 0.00 -0.52 0.00 0.00 55.73 56.08 3k0f s ARG 218 Cb -0.16 -3.45 -0.06 0.00 0.52 0.00 0.00 34.95 31.80 3k0f s ARG 218 CO -0.08 0.05 0.08 0.95 0.02 0.00 0.00 175.30 176.31 3k0f s THR 219 N 0.86 0.93 -0.05 0.02 -4.23 -0.67 -0.84 115.64 111.67 3k0f s THR 219 Ca 0.36 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.84 3k0f s THR 219 Cb -0.17 -2.72 0.02 0.00 1.34 0.00 0.00 72.50 70.97 3k0f s THR 219 CO 0.17 0.00 0.13 -0.22 -0.54 0.00 0.00 174.62 174.16 3k0f s LEU 220 N -3.43 1.31 0.01 4.79 0.20 0.13 -1.67 118.68 120.01 3k0f s LEU 220 Ca 0.36 0.25 0.02 0.00 0.69 0.00 0.00 54.13 55.46 3k0f s LEU 220 Cb 0.08 0.39 -0.01 0.00 -0.43 0.00 0.00 46.19 46.22 3k0f s LEU 220 CO 0.15 -0.07 -0.07 -0.70 -0.29 0.00 0.00 176.35 175.37 3k0f s GLU 221 N 0.39 0.52 -0.40 1.98 2.12 0.41 -1.36 118.70 122.36 3k0f s GLU 221 Ca -0.03 -0.35 -0.14 0.00 0.36 0.00 0.00 54.97 54.82 3k0f s GLU 221 Cb -0.04 -0.46 0.02 0.00 0.26 0.00 0.00 34.13 33.91 3k0f s GLU 221 CO -0.02 0.12 0.28 0.42 -0.54 0.00 0.00 175.26 175.52 3k0f s ILE 222 N -0.42 5.09 -0.04 -3.70 1.01 -1.26 -0.39 121.20 121.49 3k0f s ILE 222 Ca -0.00 -0.70 -0.21 0.00 0.00 0.00 0.00 60.65 59.73 3k0f s ILE 222 Cb -0.04 -3.84 -0.15 0.00 0.01 0.00 0.00 42.46 38.44 3k0f s ILE 222 CO -0.00 -0.29 0.90 0.25 0.00 0.00 0.00 174.94 175.80 3k0f h LEU 223 N 8.58 -0.22 -7.50 2.97 7.12 -1.48 -3.42 115.31 121.37 3k0f h LEU 223 Ca -0.27 -0.31 -0.07 0.00 0.13 0.00 0.00 57.88 57.36 3k0f h LEU 223 Cb 1.12 0.06 -0.15 0.00 -0.53 0.00 0.00 40.66 41.16 3k0f h LEU 223 CO 0.71 0.31 -0.17 -1.59 -0.13 0.00 0.00 178.44 177.57 3k0f s LYS 224 N -3.55 0.94 -0.43 1.25 -2.85 -1.23 -5.00 119.74 108.88 3k0f s LYS 224 Ca -0.12 -0.65 0.07 0.00 -1.00 0.00 0.00 55.97 54.27 3k0f s LYS 224 Cb 0.01 0.41 0.25 0.00 -2.06 0.00 0.00 37.83 36.43 3k0f s LYS 224 CO 0.47 -0.34 0.66 1.28 0.10 0.00 0.00 175.35 177.52 3k0f n LEU 225 N 0.11 -0.99 -3.33 2.77 4.77 -1.26 -1.62 117.00 117.46 3k0f n LEU 225 Ca -0.17 -4.17 -0.47 0.00 -0.03 0.00 0.00 56.01 51.17 3k0f n LEU 225 Cb 0.62 0.72 -0.07 0.00 -2.33 0.00 0.00 43.42 42.36 3k0f n LEU 225 CO 0.20 2.04 0.73 0.54 -1.33 0.00 0.00 177.39 179.56 3k0f n ARG 226 N 1.50 0.00 0.00 3.23 1.74 -0.62 -1.45 116.66 121.05 3k0f n ARG 226 Ca 0.16 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 3k0f n ARG 226 Cb 0.57 -1.06 0.00 0.00 -1.02 0.00 0.00 32.46 30.95 3k0f n ARG 226 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k0f n GLY 227 N 2.45 1.52 0.24 -0.13 0.00 -1.26 -4.97 105.19 103.04 3k0f n GLY 227 Ca 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.20 3k0f n GLY 227 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3k0f n THR 228 N 0.00 0.00 -2.65 2.61 -2.24 -0.53 -4.46 114.28 107.01 3k0f n THR 228 Ca 0.00 -0.14 -0.23 0.00 -2.27 0.00 0.00 64.05 61.41 3k0f n THR 228 Cb 0.00 0.08 0.09 0.00 -2.10 0.00 0.00 70.33 68.40 3k0f n THR 228 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3k0f s SER 229 N -1.16 4.57 0.00 3.42 1.04 -1.26 -4.73 113.70 115.58 3k0f s SER 229 Ca 0.02 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.08 3k0f s SER 229 Cb -0.00 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.02 3k0f s SER 229 CO 0.02 -1.70 0.00 0.00 0.98 0.00 0.00 173.24 172.54 3k0f n HIS 230 N -2.69 0.00 -2.27 5.02 -0.00 -1.26 -4.62 115.22 109.40 3k0f n HIS 230 Ca 0.14 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.46 3k0f n HIS 230 Cb 0.61 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.57 3k0f n HIS 230 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 3k0f s MET 231 N -2.00 4.35 0.48 -1.40 -1.94 0.12 -5.00 119.30 113.91 3k0f s MET 231 Ca 0.00 1.99 0.04 0.00 -1.71 0.00 0.00 55.69 56.01 3k0f s MET 231 Cb 0.00 -2.99 0.02 0.00 2.01 0.00 0.00 34.83 33.87 3k0f s MET 231 CO 0.00 -0.11 0.67 0.15 -0.01 0.00 0.00 175.02 175.72 3k0f s LYS 232 N -1.84 2.72 0.76 2.03 3.01 -1.26 -4.50 119.74 120.67 3k0f s LYS 232 Ca 0.50 -0.94 0.00 0.00 -1.01 0.00 0.00 55.97 54.52 3k0f s LYS 232 Cb -0.35 -2.61 0.00 0.00 -1.01 0.00 0.00 37.83 33.86 3k0f s LYS 232 CO 0.45 -0.47 0.00 0.41 0.51 0.00 0.00 175.35 176.26 3k0f n GLY 233 N -2.10 -1.93 3.87 -3.33 0.00 -1.26 -4.93 105.19 95.51 3k0f n GLY 233 Ca 0.07 -1.35 -0.31 0.00 0.00 0.00 0.00 46.02 44.43 3k0f n GLY 233 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k0f s GLU 234 N -0.63 3.80 -0.16 1.61 2.02 -1.26 -4.22 118.70 119.85 3k0f s GLU 234 Ca 0.00 0.65 -0.06 0.00 0.02 0.00 0.00 54.97 55.57 3k0f s GLU 234 Cb 0.00 -2.27 0.07 0.00 0.10 0.00 0.00 34.13 32.04 3k0f s GLU 234 CO 0.00 -0.19 0.34 0.71 0.02 0.00 0.00 175.26 176.14 3k0f s TYR 235 N -2.58 -0.59 0.46 1.61 1.51 -0.46 -4.90 117.35 112.40 3k0f s TYR 235 Ca 0.54 1.22 -0.25 0.00 -1.01 0.00 0.00 57.07 57.57 3k0f s TYR 235 Cb -0.10 0.14 -0.08 0.00 -0.11 0.00 0.00 41.96 41.81 3k0f s TYR 235 CO 0.35 -0.40 1.43 -1.25 -1.11 0.00 0.00 175.55 174.57 3k0f s PRO 236 N 2.31 3.65 0.08 -1.71 0.04 -1.26 0.19 135.00 138.31 3k0f s PRO 236 Ca -0.02 2.41 -0.11 0.00 0.04 0.00 0.00 61.00 63.33 3k0f s PRO 236 Cb -0.12 -2.63 0.01 0.00 0.04 0.00 0.00 34.50 31.80 3k0f s PRO 236 CO -0.11 -0.84 0.24 -0.59 0.04 0.00 0.00 177.00 175.74 3k0f s PHE 237 N -1.21 0.04 0.12 0.56 -0.12 -0.02 -1.91 117.98 115.44 3k0f s PHE 237 Ca 0.62 -0.38 0.07 0.00 -0.05 0.00 0.00 56.93 57.19 3k0f s PHE 237 Cb -0.44 0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 41.94 3k0f s PHE 237 CO 0.56 -0.55 -0.18 0.99 -0.05 0.00 0.00 175.22 175.99 3k0f s THR 238 N -3.47 1.59 -0.31 -4.49 2.01 0.68 -4.39 115.64 107.26 3k0f s THR 238 Ca 0.02 -1.63 -0.07 0.00 0.31 0.00 0.00 61.69 60.32 3k0f s THR 238 Cb 0.03 -1.55 0.02 0.00 0.01 0.00 0.00 72.50 71.01 3k0f s THR 238 CO -0.09 -0.20 0.09 -0.63 -0.69 0.00 0.00 174.62 173.09 3k0f s ILE 239 N -1.54 3.86 0.00 1.82 1.01 -1.26 0.06 121.20 125.15 3k0f s ILE 239 Ca 0.08 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.85 3k0f s ILE 239 Cb -0.08 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.32 3k0f s ILE 239 CO 0.04 -0.02 0.00 0.35 0.00 0.00 0.00 174.94 175.31 3k0f n THR 240 N 4.84 0.00 1.60 2.92 -2.24 -0.45 -4.96 114.28 115.99 3k0f n THR 240 Ca -0.14 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.65 3k0f n THR 240 Cb 0.47 -0.22 0.04 0.00 -2.10 0.00 0.00 70.33 68.52 3k0f n THR 240 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3k0f n ASP 241 N -0.78 0.00 -1.81 3.42 8.00 -1.26 -2.47 116.55 121.64 3k0f n ASP 241 Ca 0.00 -1.56 -0.02 0.00 0.71 0.00 0.00 54.79 53.93 3k0f n ASP 241 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.17 3k0f n ASP 241 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3k0f n HIS 242 N -0.53 0.84 -4.36 1.24 8.25 -1.26 -4.54 115.22 114.87 3k0f n HIS 242 Ca 0.01 -1.47 0.00 0.00 -0.26 0.00 0.00 57.72 56.00 3k0f n HIS 242 Cb 0.00 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 30.89 3k0f n HIS 242 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3k0f n GLY 243 N -0.35 -0.38 3.75 -1.41 0.00 -1.03 -4.81 105.19 100.96 3k0f n GLY 243 Ca 0.15 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.69 3k0f n GLY 243 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k0f s ILE 244 N 0.00 3.23 -0.26 -0.61 1.01 -1.26 -1.34 121.20 121.97 3k0f s ILE 244 Ca 0.00 1.12 -0.03 0.00 0.00 0.00 0.00 60.65 61.75 3k0f s ILE 244 Cb 0.00 -3.72 0.08 0.00 0.01 0.00 0.00 42.46 38.84 3k0f s ILE 244 CO 0.00 0.22 0.08 0.21 0.00 0.00 0.00 174.94 175.46 3k0f s ASN 245 N -0.23 3.41 -0.10 3.58 2.47 0.11 -4.30 114.94 119.88 3k0f s ASN 245 Ca 0.51 -1.20 -0.06 0.00 0.42 0.00 0.00 52.86 52.53 3k0f s ASN 245 Cb -0.35 -0.60 -0.04 0.00 -1.45 0.00 0.00 41.25 38.81 3k0f s ASN 245 CO 0.42 -0.38 0.13 -0.63 -3.72 0.00 0.00 177.10 172.93 3k0f s ILE 246 N 1.86 5.37 -0.35 -5.21 1.01 -0.99 -0.23 121.20 122.65 3k0f s ILE 246 Ca 0.05 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.81 3k0f s ILE 246 Cb -0.17 -3.36 0.09 0.00 0.01 0.00 0.00 42.46 39.04 3k0f s ILE 246 CO -0.21 0.58 0.08 -0.36 0.00 0.00 0.00 174.94 175.02 3k0f s PHE 247 N -1.06 3.57 -1.39 3.97 0.40 -0.80 -4.40 117.98 118.28 3k0f s PHE 247 Ca 0.17 -2.53 -0.14 0.00 -0.60 0.00 0.00 56.93 53.82 3k0f s PHE 247 Cb -0.12 -2.79 -0.00 0.00 0.51 0.00 0.00 43.02 40.62 3k0f s PHE 247 CO 0.06 -0.93 2.30 -2.30 0.70 0.00 0.00 175.22 175.05 3k0f n PRO 248 N 4.45 2.80 0.14 0.24 -0.02 -1.26 -4.41 135.00 136.94 3k0f n PRO 248 Ca -0.03 -2.42 0.05 0.00 -2.02 0.00 0.00 63.50 59.08 3k0f n PRO 248 Cb 0.42 -3.15 0.28 0.00 -0.02 0.00 0.00 33.50 31.02 3k0f n PRO 248 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3k0f n LEU 249 N 5.85 0.26 -0.85 2.45 4.77 -1.26 0.14 117.00 128.37 3k0f n LEU 249 Ca 0.55 0.49 0.12 0.00 -0.03 0.00 0.00 56.01 57.14 3k0f n LEU 249 Cb 0.36 -0.43 0.08 0.00 -2.33 0.00 0.00 43.42 41.10 3k0f n LEU 249 CO 0.91 -0.58 0.55 0.61 -1.33 0.00 0.00 177.39 177.55 3k0f n GLY 250 N -1.27 0.76 0.09 -0.72 0.00 -1.26 -4.24 105.19 98.55 3k0f n GLY 250 Ca -0.01 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 3k0f n GLY 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k0f n ALA 251 N 1.03 1.54 -1.63 4.61 0.00 0.37 -4.93 120.51 121.52 3k0f n ALA 251 Ca 0.13 -1.06 -0.49 0.00 0.00 0.00 0.00 53.44 52.02 3k0f n ALA 251 Cb 0.56 -0.50 -0.05 0.00 0.00 0.00 0.00 19.45 19.47 3k0f n ALA 251 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3k0f n MET 252 N -2.87 1.60 -3.02 0.00 0.00 -1.17 -4.95 117.12 106.70 3k0f n MET 252 Ca -0.25 0.58 -0.22 0.00 0.00 0.00 0.00 57.70 57.81 3k0f n MET 252 Cb 1.09 -2.27 0.01 0.00 0.00 0.00 0.00 33.22 32.05 3k0f n MET 252 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 3k0f s ARG 253 N 0.65 2.99 -1.19 2.12 0.52 -1.26 -5.01 118.95 117.78 3k0f s ARG 253 Ca 0.82 -0.65 -0.04 0.00 -0.52 0.00 0.00 55.73 55.33 3k0f s ARG 253 Cb -0.83 -2.60 0.22 0.00 0.52 0.00 0.00 34.95 32.26 3k0f s ARG 253 CO 0.43 -0.27 2.03 -0.11 0.02 0.00 0.00 175.30 177.40 3k0f n LEU 254 N -2.03 7.48 -2.60 2.53 7.94 -1.26 -4.66 117.00 124.40 3k0f n LEU 254 Ca 0.02 -5.08 -0.23 0.00 -1.11 0.00 0.00 56.01 49.61 3k0f n LEU 254 Cb 0.58 -1.29 -0.00 0.00 0.53 0.00 0.00 43.42 43.24 3k0f n LEU 254 CO 0.46 1.94 0.11 0.41 -1.11 0.00 0.00 177.39 179.20 3k0f n THR 255 N 1.20 2.09 -2.91 1.96 -1.04 -1.26 -5.07 114.28 109.25 3k0f n THR 255 Ca 0.50 -4.63 -0.41 0.00 -2.04 0.00 0.00 64.05 57.48 3k0f n THR 255 Cb 0.27 -0.86 -0.04 0.00 -1.82 0.00 0.00 70.33 67.88 3k0f n THR 255 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3k0f s GLN 256 N -3.41 4.49 0.35 -2.82 -1.52 -1.26 -4.98 119.66 110.52 3k0f s GLN 256 Ca 0.44 1.11 -0.28 0.00 -1.95 0.00 0.00 55.36 54.68 3k0f s GLN 256 Cb 0.39 -3.44 -0.10 0.00 -0.22 0.00 0.00 33.01 29.64 3k0f s GLN 256 CO -0.13 0.04 1.29 1.03 -0.25 0.00 0.00 175.29 177.27 3k0f s ARG 257 N 0.79 4.25 -0.06 2.91 0.52 -1.26 -5.01 118.95 121.09 3k0f s ARG 257 Ca 0.43 2.17 -0.02 0.00 -0.52 0.00 0.00 55.73 57.79 3k0f s ARG 257 Cb -0.19 -2.97 0.03 0.00 0.52 0.00 0.00 34.95 32.33 3k0f s ARG 257 CO 0.22 -0.26 0.03 0.45 0.02 0.00 0.00 175.30 175.77 3k0f s SER 258 N -0.60 1.41 0.34 0.23 0.15 -1.26 -4.90 113.70 109.08 3k0f s SER 258 Ca 0.51 -0.03 0.02 0.00 0.70 0.00 0.00 55.95 57.15 3k0f s SER 258 Cb -0.39 -0.29 0.02 0.00 -1.71 0.00 0.00 66.02 63.66 3k0f s SER 258 CO 0.51 -0.23 0.18 -1.54 1.20 0.00 0.00 173.24 173.36 3k0f n SER 259 N 5.23 2.34 -0.85 5.45 3.41 -1.26 -5.04 113.62 122.89 3k0f n SER 259 Ca -0.05 -2.26 0.08 0.00 -0.26 0.00 0.00 58.87 56.38 3k0f n SER 259 Cb 0.50 0.05 0.17 0.00 -0.26 0.00 0.00 64.21 64.67 3k0f n SER 259 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3k0f n ASN 260 N -1.69 3.01 -4.74 4.04 3.02 -1.26 -4.78 115.26 112.85 3k0f n ASN 260 Ca -0.05 -1.88 -0.41 0.00 -0.03 0.00 0.00 54.58 52.21 3k0f n ASN 260 Cb 0.40 -0.21 -0.02 0.00 -0.61 0.00 0.00 39.78 39.33 3k0f n ASN 260 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3k0f s VAL 261 N -1.15 2.74 0.62 2.41 1.01 -1.26 -4.93 120.40 119.84 3k0f s VAL 261 Ca 0.29 0.62 0.04 0.00 0.00 0.00 0.00 61.98 62.93 3k0f s VAL 261 Cb 0.17 -3.40 0.09 0.00 0.00 0.00 0.00 36.38 33.24 3k0f s VAL 261 CO 0.23 0.10 0.86 -0.13 0.00 0.00 0.00 175.10 176.15 3k0f s ARG 262 N -0.34 2.10 -0.28 2.72 1.81 -1.26 0.21 118.95 123.92 3k0f s ARG 262 Ca 0.59 -1.25 -0.19 0.00 -1.72 0.00 0.00 55.73 53.16 3k0f s ARG 262 Cb -0.41 -2.49 0.11 0.00 -0.45 0.00 0.00 34.95 31.70 3k0f s ARG 262 CO 0.42 -1.05 0.86 0.08 -0.68 0.00 0.00 175.30 174.93 3k0f s VAL 263 N -2.86 0.00 1.17 3.52 1.01 0.25 -4.33 120.40 119.15 3k0f s VAL 263 Ca 0.63 0.00 -0.16 0.00 0.00 0.00 0.00 61.98 62.45 3k0f s VAL 263 Cb -0.07 -1.00 0.27 0.00 0.00 0.00 0.00 36.38 35.59 3k0f s VAL 263 CO 0.41 0.00 1.05 -0.55 0.00 0.00 0.00 175.10 176.01 3k0f s SER 264 N 1.06 1.12 -0.02 3.32 0.15 -1.26 -0.46 113.70 117.61 3k0f s SER 264 Ca -0.05 1.10 0.07 0.00 0.70 0.00 0.00 55.95 57.76 3k0f s SER 264 Cb -0.05 -1.67 -0.10 0.00 -1.71 0.00 0.00 66.02 62.49 3k0f s SER 264 CO -0.12 -4.06 0.12 -1.54 1.20 0.00 0.00 173.24 168.84 3k0f n SER 265 N -4.78 3.43 0.00 5.45 3.41 -1.26 -4.68 113.62 115.19 3k0f n SER 265 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 3k0f n SER 265 Cb 0.57 1.15 0.00 0.00 -0.26 0.00 0.00 64.21 65.68 3k0f n SER 265 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k0f n GLY 266 N 2.23 0.67 2.94 5.00 0.00 -1.24 -1.93 105.19 112.86 3k0f n GLY 266 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 3k0f n GLY 266 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k0f s VAL 267 N -2.00 1.65 0.10 1.61 1.01 -1.26 -4.92 120.40 116.59 3k0f s VAL 267 Ca 0.00 -1.52 -0.20 0.00 0.00 0.00 0.00 61.98 60.26 3k0f s VAL 267 Cb 0.00 -2.01 -0.08 0.00 0.00 0.00 0.00 36.38 34.29 3k0f s VAL 267 CO 0.00 -0.29 1.69 0.58 0.00 0.00 0.00 175.10 177.08 3k0f h VAL 268 N 6.64 1.12 -0.76 2.92 2.07 -1.96 -0.37 116.25 125.91 3k0f h VAL 268 Ca -0.14 -0.35 0.10 0.00 0.82 0.00 0.00 66.70 67.13 3k0f h VAL 268 Cb 1.05 0.97 -0.08 0.00 -1.52 0.00 0.00 31.29 31.72 3k0f h VAL 268 CO 0.45 0.12 0.39 -0.09 0.02 0.00 0.00 177.57 178.46 3k0f h ARG 269 N 0.22 0.62 0.73 1.57 9.65 -1.95 -1.08 114.38 124.14 3k0f h ARG 269 Ca 0.07 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.88 3k0f h ARG 269 Cb 0.10 -0.14 -0.00 0.00 -1.39 0.00 0.00 29.97 28.53 3k0f h ARG 269 CO -0.01 0.41 -0.46 1.25 2.80 0.00 0.00 179.97 183.96 3k0f h LEU 270 N 0.64 -1.17 -1.73 3.80 6.46 -1.87 -1.63 115.31 119.81 3k0f h LEU 270 Ca 0.38 0.07 0.50 0.00 -0.12 0.00 0.00 57.88 58.71 3k0f h LEU 270 Cb 0.42 0.34 -0.10 0.00 -0.73 0.00 0.00 40.66 40.59 3k0f h LEU 270 CO -0.28 -0.70 1.14 0.44 -0.62 0.00 0.00 178.44 178.41 3k0f h ASP 271 N -1.12 0.10 -0.00 1.25 3.32 -0.11 0.54 116.42 120.40 3k0f h ASP 271 Ca -0.10 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 3k0f h ASP 271 Cb 0.90 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.51 3k0f h ASP 271 CO 0.09 -0.10 -0.01 -0.33 -1.72 0.00 0.00 179.24 177.17 3k0f h GLU 272 N 0.02 0.01 -0.02 3.56 5.08 -0.33 0.45 114.58 123.35 3k0f h GLU 272 Ca 0.87 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 59.23 3k0f h GLU 272 Cb 3.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 32.44 3k0f h GLU 272 CO -0.20 0.65 0.03 0.52 -1.00 0.00 0.00 179.01 179.00 3k0f h MET 273 N -0.62 0.00 -0.70 2.33 2.86 0.80 0.49 114.93 120.09 3k0f h MET 273 Ca -0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3k0f h MET 273 Cb 0.65 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 3k0f h MET 273 CO 0.00 0.00 0.02 0.00 1.06 0.00 0.00 176.91 177.99 3k0f n GLY 275 N 0.43 -0.50 0.00 0.00 0.00 0.17 -3.72 105.19 101.57 3k0f n GLY 275 Ca 0.22 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.31 3k0f n GLY 275 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k0f n GLY 276 N -1.18 1.32 0.00 -0.02 0.00 0.13 -4.86 105.19 100.59 3k0f n GLY 276 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3k0f n GLY 276 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k0f n GLY 277 N 0.00 1.21 3.77 -0.02 0.00 0.17 -4.55 105.19 105.77 3k0f n GLY 277 Ca 0.00 -1.93 -0.38 0.00 0.00 0.00 0.00 46.02 43.71 3k0f n GLY 277 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k0f s PHE 278 N -2.23 3.49 0.57 1.61 2.99 0.40 -4.64 117.98 120.16 3k0f s PHE 278 Ca 0.00 1.70 -0.19 0.00 0.00 0.00 0.00 56.93 58.44 3k0f s PHE 278 Cb 0.00 -3.14 -0.05 0.00 0.00 0.00 0.00 43.02 39.84 3k0f s PHE 278 CO 0.00 -0.40 1.16 -0.06 -0.00 0.00 0.00 175.22 175.93 3k0f s PHE 279 N -1.45 2.54 0.13 0.36 0.40 -1.26 0.86 117.98 119.56 3k0f s PHE 279 Ca 0.51 1.53 -0.16 0.00 -0.60 0.00 0.00 56.93 58.21 3k0f s PHE 279 Cb -0.25 -3.37 -0.01 0.00 0.51 0.00 0.00 43.02 39.90 3k0f s PHE 279 CO 0.32 -1.87 1.69 -0.22 0.70 0.00 0.00 175.22 175.84 3k0f h LYS 280 N 1.02 0.57 -4.75 0.44 3.64 -0.43 -3.32 116.57 113.74 3k0f h LYS 280 Ca -0.50 -0.10 -0.71 0.00 -1.27 0.00 0.00 60.65 58.08 3k0f h LYS 280 Cb 1.28 -0.10 -0.19 0.00 -0.41 0.00 0.00 32.23 32.81 3k0f h LYS 280 CO 0.56 0.53 0.47 -0.51 -2.27 0.00 0.00 179.45 178.23 3k0f s ASP 281 N -5.81 6.49 -0.26 4.20 1.01 -1.26 -3.69 116.67 117.36 3k0f s ASP 281 Ca -0.13 -1.91 -0.33 0.00 0.71 0.00 0.00 52.55 50.89 3k0f s ASP 281 Cb 0.10 -2.34 0.17 0.00 1.01 0.00 0.00 42.92 41.86 3k0f s ASP 281 CO 0.75 -1.02 1.31 -0.94 0.21 0.00 0.00 175.17 175.48 3k0f s SER 282 N 3.35 -0.07 -0.17 0.27 1.04 -1.25 -4.81 113.70 112.06 3k0f s SER 282 Ca 0.23 0.04 -0.05 0.00 0.48 0.00 0.00 55.95 56.65 3k0f s SER 282 Cb -0.12 0.06 -0.03 0.00 0.10 0.00 0.00 66.02 66.03 3k0f s SER 282 CO -0.03 -0.09 0.01 -0.63 0.98 0.00 0.00 173.24 173.48 3k0f s ILE 283 N -1.57 4.27 -0.14 -1.02 -1.09 -1.26 -3.28 121.20 117.10 3k0f s ILE 283 Ca 0.09 -0.22 -0.01 0.00 -2.23 0.00 0.00 60.65 58.28 3k0f s ILE 283 Cb -0.01 -2.90 -0.02 0.00 -1.58 0.00 0.00 42.46 37.95 3k0f s ILE 283 CO -0.05 0.47 -0.10 -0.63 -1.23 0.00 0.00 174.94 173.40 3k0f s ILE 284 N 0.43 3.25 -0.12 2.92 -1.09 0.30 -1.73 121.20 125.15 3k0f s ILE 284 Ca -0.01 -0.59 0.01 0.00 -2.23 0.00 0.00 60.65 57.84 3k0f s ILE 284 Cb -0.13 -2.39 -0.01 0.00 -1.58 0.00 0.00 42.46 38.35 3k0f s ILE 284 CO 0.02 0.51 -0.16 -0.22 -1.23 0.00 0.00 174.94 173.86 3k0f s LEU 285 N 0.45 2.53 -0.23 2.97 2.96 0.15 0.16 118.68 127.67 3k0f s LEU 285 Ca -0.08 -0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 53.39 3k0f s LEU 285 Cb -0.15 -1.55 0.00 0.00 0.50 0.00 0.00 46.19 44.99 3k0f s LEU 285 CO 0.04 0.15 -0.05 0.00 -1.32 0.00 0.00 176.35 175.18 3k0f s ALA 286 N 0.40 2.77 -0.05 5.97 0.00 0.11 -0.15 121.76 130.81 3k0f s ALA 286 Ca -0.12 -1.27 0.05 0.00 0.00 0.00 0.00 51.96 50.63 3k0f s ALA 286 Cb -0.16 -1.69 -0.01 0.00 0.00 0.00 0.00 23.12 21.26 3k0f s ALA 286 CO 0.06 -0.55 -0.21 0.99 0.00 0.00 0.00 175.76 176.04 3k0f s THR 287 N 1.43 1.75 -0.01 0.00 2.01 -0.51 0.24 115.64 120.55 3k0f s THR 287 Ca 0.04 -0.90 -0.30 0.00 0.31 0.00 0.00 61.69 60.84 3k0f s THR 287 Cb -0.15 -1.48 0.11 0.00 0.01 0.00 0.00 72.50 70.99 3k0f s THR 287 CO -0.04 0.49 1.23 -0.83 -0.69 0.00 0.00 174.62 174.78 3k0f s GLY 288 N -0.13 -0.38 0.92 4.40 0.00 -0.60 -1.65 107.32 109.88 3k0f s GLY 288 Ca -0.02 0.70 -0.11 0.00 0.00 0.00 0.00 44.72 45.29 3k0f s GLY 288 CO 0.02 0.14 1.09 0.00 0.00 0.00 0.00 173.10 174.36 3k0f s ALA 289 N -2.55 1.38 0.37 3.20 0.00 -1.26 -1.29 121.76 121.60 3k0f s ALA 289 Ca 0.13 -0.02 -0.28 0.00 0.00 0.00 0.00 51.96 51.79 3k0f s ALA 289 Cb 0.03 -3.22 -0.11 0.00 0.00 0.00 0.00 23.12 19.83 3k0f s ALA 289 CO -0.03 -2.50 1.49 -0.08 0.00 0.00 0.00 175.76 174.64 3k0f s THR 290 N -2.87 2.07 0.00 0.00 -1.32 -1.26 -2.21 115.64 110.04 3k0f s THR 290 Ca 0.64 0.07 0.00 0.00 -1.21 0.00 0.00 61.69 61.19 3k0f s THR 290 Cb -0.19 -3.04 0.00 0.00 -1.51 0.00 0.00 72.50 67.76 3k0f s THR 290 CO 0.58 0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.61 3k0f n GLY 291 N 0.61 2.07 0.27 6.08 0.00 -1.26 -4.92 105.19 108.04 3k0f n GLY 291 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 3k0f n GLY 291 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3k0f h THR 292 N 0.00 1.23 0.00 2.61 1.35 -1.80 -3.47 112.91 112.83 3k0f h THR 292 Ca 0.00 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 3k0f h THR 292 Cb 0.00 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 67.40 3k0f h THR 292 CO 0.00 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 176.22 3k0f n GLY 293 N -0.67 1.84 0.20 5.82 0.00 -1.26 -4.94 105.19 106.19 3k0f n GLY 293 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 3k0f n GLY 293 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k0f h LYS 294 N 0.00 0.65 -0.00 1.61 6.56 -1.92 -2.44 116.57 121.03 3k0f h LYS 294 Ca 0.00 -0.18 0.00 0.00 -1.06 0.00 0.00 60.65 59.41 3k0f h LYS 294 Cb 0.00 -0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 31.59 3k0f h LYS 294 CO 0.00 0.72 0.01 1.15 -2.06 0.00 0.00 179.45 179.27 3k0f h THR 295 N 0.48 0.01 0.01 -0.16 2.02 -1.98 -1.82 112.91 111.46 3k0f h THR 295 Ca 0.11 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.27 3k0f h THR 295 Cb 0.40 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 3k0f h THR 295 CO 0.01 0.00 -0.11 0.25 0.37 0.00 0.00 175.52 176.04 3k0f h LEU 296 N 0.00 0.09 -2.09 2.58 5.85 -1.85 -2.71 115.31 117.18 3k0f h LEU 296 Ca 0.00 -0.85 -0.01 0.00 0.84 0.00 0.00 57.88 57.85 3k0f h LEU 296 Cb 0.03 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 3k0f h LEU 296 CO -0.00 0.93 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.89 3k0f h LEU 297 N -0.75 0.00 -0.01 2.25 3.38 -1.24 0.11 115.31 119.06 3k0f h LEU 297 Ca -0.02 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.69 3k0f h LEU 297 Cb 0.95 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.72 3k0f h LEU 297 CO 0.02 0.07 -1.10 0.58 0.09 0.00 0.00 178.44 178.10 3k0f h VAL 298 N 0.00 1.34 0.09 1.22 2.07 -1.41 -1.67 116.25 117.89 3k0f h VAL 298 Ca -0.00 -2.47 -0.00 0.00 0.82 0.00 0.00 66.70 65.05 3k0f h VAL 298 Cb 0.28 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 3k0f h VAL 298 CO 0.01 0.75 -0.04 0.28 0.02 0.00 0.00 177.57 178.58 3k0f h SER 299 N 0.27 -0.10 -0.08 0.57 0.02 -0.98 -1.38 113.55 111.87 3k0f h SER 299 Ca -0.13 -0.31 0.02 0.00 -0.84 0.00 0.00 61.79 60.53 3k0f h SER 299 Cb 1.76 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 64.32 3k0f h SER 299 CO 0.20 0.26 0.07 -0.09 -1.14 0.00 0.00 176.83 176.14 3k0f h ARG 300 N -0.48 0.00 0.17 3.45 9.65 -0.89 -0.77 114.38 125.51 3k0f h ARG 300 Ca -0.01 0.00 -0.29 0.00 -1.10 0.00 0.00 59.98 58.57 3k0f h ARG 300 Cb 0.40 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.00 3k0f h ARG 300 CO 0.02 0.00 -1.32 0.35 2.80 0.00 0.00 179.97 181.82 3k0f h PHE 301 N 0.00 0.64 -0.07 2.20 3.57 -0.61 -3.11 116.94 119.56 3k0f h PHE 301 Ca 0.04 -0.47 -0.22 0.00 3.53 0.00 0.00 57.97 60.85 3k0f h PHE 301 Cb 0.18 -0.03 0.01 0.00 2.79 0.00 0.00 35.95 38.90 3k0f h PHE 301 CO 0.00 1.37 -0.85 0.28 -2.23 0.00 0.00 178.31 176.88 3k0f h VAL 302 N 0.10 1.33 -0.45 1.41 2.07 -0.35 -3.26 116.25 117.10 3k0f h VAL 302 Ca -0.17 -2.16 -0.07 0.00 0.82 0.00 0.00 66.70 65.12 3k0f h VAL 302 Cb 2.03 2.17 -0.02 0.00 -1.52 0.00 0.00 31.29 33.96 3k0f h VAL 302 CO 0.23 0.66 0.02 -0.08 0.02 0.00 0.00 177.57 178.42 3k0f h GLU 303 N 0.38 0.78 0.00 1.57 4.81 -1.29 -2.30 114.58 118.53 3k0f h GLU 303 Ca -0.07 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 3k0f h GLU 303 Cb 1.47 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.77 3k0f h GLU 303 CO 0.16 0.83 0.04 -0.97 -0.73 0.00 0.00 179.01 178.34 3k0f h ASN 304 N 0.62 0.00 0.80 1.04 -0.73 -1.59 0.30 115.58 116.03 3k0f h ASN 304 Ca 0.13 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.30 3k0f h ASN 304 Cb 0.46 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.05 3k0f h ASN 304 CO 0.02 0.00 -0.71 0.00 -0.37 0.00 0.00 177.43 176.37 3k0f h ALA 305 N 1.90 0.53 0.00 1.57 0.00 -1.46 -3.28 119.26 118.52 3k0f h ALA 305 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3k0f h ALA 305 Cb 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3k0f h ALA 305 CO 0.00 0.00 -1.96 0.00 0.00 0.00 0.00 179.25 177.29 3k0f h ALA 307 N 1.86 1.00 -0.17 0.00 0.00 -0.97 -2.31 119.26 118.67 3k0f h ALA 307 Ca -0.02 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3k0f h ALA 307 Cb 0.99 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3k0f h ALA 307 CO 0.00 0.04 -0.13 0.09 0.00 0.00 0.00 179.25 179.26 3k0f n ASN 308 N -3.13 2.60 -3.90 0.00 3.02 -1.24 -4.99 115.26 107.63 3k0f n ASN 308 Ca 0.01 -3.46 -0.37 0.00 -0.03 0.00 0.00 54.58 50.73 3k0f n ASN 308 Cb 0.39 -0.54 0.02 0.00 -0.61 0.00 0.00 39.78 39.04 3k0f n ASN 308 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3k0f n LYS 309 N -1.07 -0.76 -4.28 3.52 5.02 -0.87 -5.00 118.16 114.74 3k0f n LYS 309 Ca 0.23 0.35 -0.22 0.00 -2.02 0.00 0.00 58.31 56.65 3k0f n LYS 309 Cb 0.83 -2.93 -0.12 0.00 -0.02 0.00 0.00 35.03 32.79 3k0f n LYS 309 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3k0f s GLU 310 N -6.45 1.04 -0.04 1.97 2.02 0.33 -4.99 118.70 112.58 3k0f s GLU 310 Ca 0.37 -1.07 -0.22 0.00 0.02 0.00 0.00 54.97 54.08 3k0f s GLU 310 Cb -0.18 -1.20 -0.04 0.00 0.10 0.00 0.00 34.13 32.80 3k0f s GLU 310 CO 0.93 0.28 0.65 1.03 0.02 0.00 0.00 175.26 178.17 3k0f s ARG 311 N -1.77 4.40 0.01 1.61 0.52 -1.25 -3.83 118.95 118.64 3k0f s ARG 311 Ca 0.04 0.81 0.04 0.00 -0.52 0.00 0.00 55.73 56.09 3k0f s ARG 311 Cb -0.10 -3.41 -0.01 0.00 0.52 0.00 0.00 34.95 31.95 3k0f s ARG 311 CO 0.03 0.19 -0.11 0.00 0.02 0.00 0.00 175.30 175.43 3k0f s ALA 312 N 0.40 0.92 -0.08 2.13 0.00 -0.09 -0.70 121.76 124.34 3k0f s ALA 312 Ca 0.34 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.72 3k0f s ALA 312 Cb -0.18 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 3k0f s ALA 312 CO 0.17 0.19 -0.10 0.42 0.00 0.00 0.00 175.76 176.44 3k0f s ILE 313 N -0.56 3.39 -0.30 0.00 1.01 -0.84 -1.91 121.20 122.00 3k0f s ILE 313 Ca 0.02 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.11 3k0f s ILE 313 Cb -0.06 -2.38 0.08 0.00 0.01 0.00 0.00 42.46 40.11 3k0f s ILE 313 CO 0.00 0.58 -0.03 -0.22 0.00 0.00 0.00 174.94 175.27 3k0f s LEU 314 N -0.50 4.08 -0.58 2.97 2.96 -0.75 -1.04 118.68 125.82 3k0f s LEU 314 Ca 0.07 -1.72 -0.22 0.00 -0.22 0.00 0.00 54.13 52.04 3k0f s LEU 314 Cb -0.12 -1.60 0.06 0.00 0.50 0.00 0.00 46.19 45.03 3k0f s LEU 314 CO 0.02 -0.28 0.85 -0.36 -1.32 0.00 0.00 176.35 175.26 3k0f s PHE 315 N 1.03 2.83 -0.15 5.38 0.40 0.89 -2.17 117.98 126.19 3k0f s PHE 315 Ca -0.00 -0.41 -0.11 0.00 -0.60 0.00 0.00 56.93 55.80 3k0f s PHE 315 Cb -0.20 -4.02 -0.05 0.00 0.51 0.00 0.00 43.02 39.27 3k0f s PHE 315 CO -0.06 -1.38 0.22 0.00 0.70 0.00 0.00 175.22 174.71 3k0f s ALA 316 N 3.56 3.69 0.00 5.36 0.00 -1.26 -1.33 121.76 131.79 3k0f s ALA 316 Ca 0.22 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.64 3k0f s ALA 316 Cb -0.17 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.72 3k0f s ALA 316 CO 0.13 0.26 0.00 0.66 0.00 0.00 0.00 175.76 176.81 3k0f n TYR 317 N 3.04 0.00 -0.13 0.00 4.02 -1.25 -0.88 117.16 121.97 3k0f n TYR 317 Ca -0.15 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.51 3k0f n TYR 317 Cb 0.53 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.74 3k0f n TYR 317 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3k0f n GLU 318 N -0.84 0.59 -4.15 -0.72 1.02 -1.26 -4.53 120.64 110.75 3k0f n GLU 318 Ca 0.00 0.19 -0.23 0.00 -0.02 0.00 0.00 57.16 57.10 3k0f n GLU 318 Cb 0.00 -1.46 -0.05 0.00 -0.02 0.00 0.00 31.44 29.90 3k0f n GLU 318 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3k0f s GLU 319 N -2.49 2.77 0.92 3.49 2.02 -1.26 -5.12 118.70 119.04 3k0f s GLU 319 Ca -0.35 -1.08 -0.13 0.00 0.02 0.00 0.00 54.97 53.43 3k0f s GLU 319 Cb 0.11 -2.49 0.20 0.00 0.10 0.00 0.00 34.13 32.05 3k0f s GLU 319 CO 0.52 0.42 1.27 -1.54 0.02 0.00 0.00 175.26 175.94 3k0f s SER 320 N -3.58 3.25 0.03 -0.19 1.04 -1.26 -4.78 113.70 108.20 3k0f s SER 320 Ca 0.32 0.05 -0.19 0.00 0.48 0.00 0.00 55.95 56.61 3k0f s SER 320 Cb -0.08 -0.11 -0.17 0.00 0.10 0.00 0.00 66.02 65.75 3k0f s SER 320 CO 0.23 -2.63 1.24 0.03 0.98 0.00 0.00 173.24 173.09 3k0f h ARG 321 N -1.45 0.44 -0.74 4.02 3.08 -1.96 -1.98 114.38 115.78 3k0f h ARG 321 Ca -0.42 -0.33 0.01 0.00 0.07 0.00 0.00 59.98 59.32 3k0f h ARG 321 Cb 1.23 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.30 3k0f h ARG 321 CO 0.35 0.95 0.49 0.00 -1.07 0.00 0.00 179.97 180.69 3k0f h ALA 322 N 0.49 0.95 -0.34 0.04 0.00 -2.00 -2.78 119.26 115.61 3k0f h ALA 322 Ca -0.02 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 3k0f h ALA 322 Cb 0.99 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 3k0f h ALA 322 CO 0.08 0.34 -0.47 0.37 0.00 0.00 0.00 179.25 179.57 3k0f h GLN 323 N 0.99 0.92 -0.05 0.00 4.15 -1.94 -2.27 115.11 116.90 3k0f h GLN 323 Ca 0.28 -0.53 0.02 0.00 0.77 0.00 0.00 58.65 59.18 3k0f h GLN 323 Cb -0.09 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.64 3k0f h GLN 323 CO -0.07 1.18 0.10 -0.07 -1.93 0.00 0.00 178.83 178.04 3k0f h LEU 324 N 0.73 0.00 0.09 -2.39 3.38 -1.12 -2.06 115.31 113.94 3k0f h LEU 324 Ca 0.04 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.80 3k0f h LEU 324 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 3k0f h LEU 324 CO 0.11 0.00 -1.05 -0.07 0.09 0.00 0.00 178.44 177.52 3k0f h LEU 325 N 0.00 0.30 -0.02 1.67 3.38 -1.21 -2.89 115.31 116.54 3k0f h LEU 325 Ca 0.03 -0.86 0.01 0.00 0.09 0.00 0.00 57.88 57.15 3k0f h LEU 325 Cb 0.23 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3k0f h LEU 325 CO -0.00 1.46 -0.06 -0.09 0.09 0.00 0.00 178.44 179.84 3k0f h ARG 326 N -0.50 -0.09 -0.66 1.13 2.43 -0.83 0.30 114.38 116.16 3k0f h ARG 326 Ca -0.23 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.90 3k0f h ARG 326 Cb 1.57 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 31.11 3k0f h ARG 326 CO 0.04 -0.06 0.22 -0.91 -1.51 0.00 0.00 179.97 177.75 3k0f h ASN 327 N -0.09 0.96 0.25 -3.80 2.35 -1.57 -2.04 115.58 111.64 3k0f h ASN 327 Ca 0.03 -0.20 0.01 0.00 -0.55 0.00 0.00 56.30 55.59 3k0f h ASN 327 Cb 0.13 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.21 3k0f h ASN 327 CO -0.08 0.90 -0.45 0.00 -1.65 0.00 0.00 177.43 176.15 3k0f h ALA 328 N 1.09 -0.90 -0.80 -0.83 0.00 -1.23 -1.81 119.26 114.77 3k0f h ALA 328 Ca 0.21 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.10 3k0f h ALA 328 Cb 0.28 0.72 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 3k0f h ALA 328 CO -0.01 -1.06 0.53 -0.92 0.00 0.00 0.00 179.25 177.79 3k0f h TYR 329 N -0.78 0.80 0.00 0.00 3.20 -0.85 -0.71 116.97 118.63 3k0f h TYR 329 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3k0f h TYR 329 Cb 0.75 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.76 3k0f h TYR 329 CO -0.33 0.37 0.00 0.43 -1.64 0.00 0.00 178.16 176.99 3k0f n SER 330 N -4.51 0.67 -0.75 -2.11 7.64 -0.72 -0.84 113.62 112.99 3k0f n SER 330 Ca 0.14 0.70 0.07 0.00 1.01 0.00 0.00 58.87 60.78 3k0f n SER 330 Cb 0.33 -0.83 0.17 0.00 -1.01 0.00 0.00 64.21 62.87 3k0f n SER 330 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 3k0f n TRP 331 N -2.28 0.49 0.00 1.43 8.01 -0.30 -4.31 117.44 120.48 3k0f n TRP 331 Ca 0.01 -0.43 0.00 0.00 -1.31 0.00 0.00 57.50 55.77 3k0f n TRP 331 Cb 0.18 -0.02 0.00 0.00 -2.01 0.00 0.00 31.31 29.46 3k0f n TRP 331 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3k0f n GLY 332 N 0.75 0.99 0.00 6.99 0.00 -0.02 -3.96 105.19 109.94 3k0f n GLY 332 Ca 0.13 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.16 3k0f n GLY 332 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3k0f n MET 333 N 0.00 0.00 -3.02 1.61 0.00 -1.26 -3.76 117.12 110.69 3k0f n MET 333 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 57.70 57.26 3k0f n MET 333 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.18 3k0f n MET 333 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3k0f s ASP 334 N 0.00 6.32 0.35 3.17 -1.08 -1.26 -3.37 116.67 120.79 3k0f s ASP 334 Ca 0.00 -1.54 0.10 0.00 -0.52 0.00 0.00 52.55 50.59 3k0f s ASP 334 Cb 0.00 -2.35 0.64 0.00 -1.46 0.00 0.00 42.92 39.75 3k0f s ASP 334 CO 0.00 -1.16 1.80 -0.26 0.52 0.00 0.00 175.17 176.08 3k0f h PHE 335 N 9.11 0.14 -0.25 -5.34 0.05 -1.90 -3.05 116.94 115.71 3k0f h PHE 335 Ca -0.17 -0.03 0.06 0.00 3.82 0.00 0.00 57.97 61.65 3k0f h PHE 335 Cb 1.07 -0.03 -0.07 0.00 2.00 0.00 0.00 35.95 38.91 3k0f h PHE 335 CO 0.96 0.45 -0.22 0.93 -0.18 0.00 0.00 178.31 180.25 3k0f h GLU 336 N 0.11 -0.21 0.03 1.51 4.39 -1.95 -2.09 114.58 116.37 3k0f h GLU 336 Ca 0.01 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.74 3k0f h GLU 336 Cb 0.66 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 3k0f h GLU 336 CO 0.05 -0.14 -0.11 1.49 -1.16 0.00 0.00 179.01 179.14 3k0f h GLU 337 N -0.21 -0.19 -0.95 2.33 4.57 -1.96 -1.95 114.58 116.21 3k0f h GLU 337 Ca 0.14 0.01 0.30 0.00 -1.18 0.00 0.00 59.36 58.63 3k0f h GLU 337 Cb 0.43 0.04 -0.16 0.00 -0.16 0.00 0.00 28.75 28.90 3k0f h GLU 337 CO -0.38 -0.13 0.28 0.52 -1.18 0.00 0.00 179.01 178.13 3k0f h MET 338 N -0.20 0.11 0.09 1.92 2.86 -1.37 0.24 114.93 118.60 3k0f h MET 338 Ca 0.03 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3k0f h MET 338 Cb 0.23 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.87 3k0f h MET 338 CO -0.09 0.08 -0.04 0.93 1.06 0.00 0.00 176.91 178.84 3k0f h GLU 339 N 0.12 -0.12 -0.02 1.72 5.08 -0.71 -2.30 114.58 118.35 3k0f h GLU 339 Ca 0.66 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 59.05 3k0f h GLU 339 Cb 1.47 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.72 3k0f h GLU 339 CO -0.75 0.09 -0.14 0.00 -1.00 0.00 0.00 179.01 177.20 3k0f h ARG 340 N -0.32 -0.22 0.00 2.33 3.08 -0.73 -0.49 114.38 118.04 3k0f h ARG 340 Ca -0.01 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3k0f h ARG 340 Cb 0.26 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3k0f h ARG 340 CO 0.02 -0.14 0.00 1.04 -1.07 0.00 0.00 179.97 179.82 3k0f n GLN 341 N -5.27 0.03 -3.12 0.04 6.02 -0.40 -4.76 117.38 109.91 3k0f n GLN 341 Ca -0.05 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.75 3k0f n GLN 341 Cb 0.19 -1.35 -0.01 0.00 1.02 0.00 0.00 30.24 30.09 3k0f n GLN 341 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3k0f n ASN 342 N -0.85 -3.31 -0.05 1.08 4.13 -0.19 -4.80 115.26 111.27 3k0f n ASN 342 Ca 0.00 -0.20 -0.01 0.00 1.68 0.00 0.00 54.58 56.06 3k0f n ASN 342 Cb 0.00 -2.79 -0.14 0.00 -1.54 0.00 0.00 39.78 35.32 3k0f n ASN 342 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3k0f n LEU 343 N -3.39 0.00 -4.00 3.41 4.77 -0.90 -4.89 117.00 112.00 3k0f n LEU 343 Ca -0.03 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.70 3k0f n LEU 343 Cb 0.55 0.23 -0.17 0.00 -2.33 0.00 0.00 43.42 41.70 3k0f n LEU 343 CO 0.40 0.23 -0.46 -0.22 -1.33 0.00 0.00 177.39 176.01 3k0f s LEU 344 N -4.81 1.56 -0.17 2.23 1.98 -0.97 -0.92 118.68 117.57 3k0f s LEU 344 Ca -0.08 -0.29 0.01 0.00 -2.89 0.00 0.00 54.13 50.89 3k0f s LEU 344 Cb 0.08 -0.80 0.02 0.00 0.66 0.00 0.00 46.19 46.15 3k0f s LEU 344 CO 0.72 0.01 -0.18 -0.75 -1.89 0.00 0.00 176.35 174.26 3k0f s LYS 345 N 0.82 2.74 -0.26 1.98 2.20 -0.80 -4.03 119.74 122.38 3k0f s LYS 345 Ca -0.12 -0.76 -0.10 0.00 -0.36 0.00 0.00 55.97 54.63 3k0f s LYS 345 Cb -0.15 -2.43 -0.05 0.00 -1.51 0.00 0.00 37.83 33.69 3k0f s LYS 345 CO 0.02 -0.23 0.16 0.42 -0.36 0.00 0.00 175.35 175.35 3k0f s ILE 346 N 1.35 5.11 0.00 5.43 1.01 -1.26 -1.81 121.20 131.02 3k0f s ILE 346 Ca 0.05 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.79 3k0f s ILE 346 Cb -0.13 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 38.93 3k0f s ILE 346 CO -0.12 0.29 0.00 0.52 0.00 0.00 0.00 174.94 175.63 3k0f n VAL 347 N 4.87 0.00 -0.77 2.92 0.31 -0.92 -5.00 118.33 119.73 3k0f n VAL 347 Ca -0.15 0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 3k0f n VAL 347 Cb 0.52 -0.97 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 3k0f n VAL 347 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3k0f s ALA 349 N -0.53 -2.08 0.18 0.00 0.00 -0.05 -4.94 121.76 114.34 3k0f s ALA 349 Ca 0.00 1.83 -0.30 0.00 0.00 0.00 0.00 51.96 53.49 3k0f s ALA 349 Cb 0.00 -1.31 -0.08 0.00 0.00 0.00 0.00 23.12 21.73 3k0f s ALA 349 CO 0.00 -0.27 1.04 0.71 0.00 0.00 0.00 175.76 177.24 3k0f s TYR 350 N -1.09 3.71 0.41 0.00 1.51 -1.26 -4.08 117.35 116.55 3k0f s TYR 350 Ca 0.07 1.71 0.09 0.00 -1.01 0.00 0.00 57.07 57.94 3k0f s TYR 350 Cb -0.01 -3.17 0.90 0.00 -0.11 0.00 0.00 41.96 39.57 3k0f s TYR 350 CO -0.06 -0.22 2.01 -1.35 -1.11 0.00 0.00 175.55 174.82 3k0f h PRO 351 N 4.92 0.52 0.00 -1.71 0.11 -1.83 -0.58 132.00 133.44 3k0f h PRO 351 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3k0f h PRO 351 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3k0f h PRO 351 CO 0.71 0.35 0.00 0.93 -0.21 0.00 0.00 178.00 179.78 3k0f h GLU 352 N 0.54 0.00 0.00 1.05 3.07 -1.91 -2.88 114.58 114.45 3k0f h GLU 352 Ca 0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 3k0f h GLU 352 Cb 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 3k0f h GLU 352 CO -0.06 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.42 3k0f n SER 353 N -3.00 0.00 -1.91 1.42 3.41 -0.22 -4.85 113.62 108.47 3k0f n SER 353 Ca -0.02 -0.51 -0.01 0.00 -0.26 0.00 0.00 58.87 58.07 3k0f n SER 353 Cb 0.12 -0.04 0.01 0.00 -0.26 0.00 0.00 64.21 64.04 3k0f n SER 353 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k0f n ALA 354 N -1.04 -1.06 -2.24 7.33 0.00 -1.09 -5.06 120.51 117.36 3k0f n ALA 354 Ca 0.13 -0.41 -0.21 0.00 0.00 0.00 0.00 53.44 52.96 3k0f n ALA 354 Cb 0.07 0.23 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 3k0f n ALA 354 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3k0f s GLY 355 N -2.48 2.11 0.20 0.00 0.00 -1.26 -4.96 107.32 100.93 3k0f s GLY 355 Ca 0.09 -1.87 -0.11 0.00 0.00 0.00 0.00 44.72 42.83 3k0f s GLY 355 CO 0.02 -1.69 1.87 1.41 0.00 0.00 0.00 173.10 174.72 3k0f h LEU 356 N 1.04 0.81 -0.25 0.66 4.07 -1.95 -0.81 115.31 118.88 3k0f h LEU 356 Ca -0.42 -0.02 0.06 0.00 0.08 0.00 0.00 57.88 57.59 3k0f h LEU 356 Cb 1.27 -0.20 -0.07 0.00 1.08 0.00 0.00 40.66 42.73 3k0f h LEU 356 CO 0.57 0.59 -0.28 1.05 -1.08 0.00 0.00 178.44 179.29 3k0f h GLU 357 N 0.96 -0.28 0.13 1.13 4.11 -1.96 -0.72 114.58 117.95 3k0f h GLU 357 Ca 0.27 0.02 0.01 0.00 0.07 0.00 0.00 59.36 59.72 3k0f h GLU 357 Cb -0.10 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3k0f h GLU 357 CO -0.06 -0.19 -0.14 -0.44 0.07 0.00 0.00 179.01 178.25 3k0f h ASP 358 N -0.29 -0.38 -0.25 3.06 3.32 -1.86 -2.52 116.42 117.49 3k0f h ASP 358 Ca 0.14 0.04 0.07 0.00 0.02 0.00 0.00 57.03 57.30 3k0f h ASP 358 Cb 0.50 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 3k0f h ASP 358 CO -0.42 -0.22 0.24 0.45 -1.72 0.00 0.00 179.24 177.58 3k0f h HIS 359 N -0.31 0.00 -0.04 4.55 3.86 -0.67 0.18 115.15 122.73 3k0f h HIS 359 Ca 0.01 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.04 3k0f h HIS 359 Cb 0.30 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 3k0f h HIS 359 CO -0.14 0.00 -0.75 1.25 0.86 0.00 0.00 177.93 179.15 3k0f h LEU 360 N 0.00 0.34 0.01 2.43 6.46 -0.71 -2.48 115.31 121.35 3k0f h LEU 360 Ca 0.12 -0.23 -0.15 0.00 -0.12 0.00 0.00 57.88 57.50 3k0f h LEU 360 Cb 0.60 -0.10 0.01 0.00 -0.73 0.00 0.00 40.66 40.44 3k0f h LEU 360 CO -0.00 0.97 -0.58 -0.61 -0.62 0.00 0.00 178.44 177.59 3k0f h GLN 361 N 0.18 0.38 -0.66 1.25 4.15 -0.56 -1.39 115.11 118.46 3k0f h GLN 361 Ca -0.03 -0.42 0.05 0.00 0.77 0.00 0.00 58.65 59.03 3k0f h GLN 361 Cb 1.32 0.12 -0.04 0.00 0.21 0.00 0.00 27.48 29.10 3k0f h GLN 361 CO 0.12 1.10 0.43 0.82 -1.93 0.00 0.00 178.83 179.37 3k0f h ILE 362 N -0.17 1.03 -0.04 2.39 1.08 -0.94 0.59 117.51 121.45 3k0f h ILE 362 Ca -0.08 -0.24 -0.05 0.00 -0.39 0.00 0.00 64.86 64.11 3k0f h ILE 362 Cb 1.31 0.28 0.00 0.00 -3.07 0.00 0.00 36.82 35.34 3k0f h ILE 362 CO 0.11 0.13 -0.15 0.40 -0.69 0.00 0.00 178.15 177.95 3k0f h ILE 363 N 0.70 1.47 -0.61 -0.67 2.04 -1.43 -1.19 117.51 117.82 3k0f h ILE 363 Ca 0.28 -1.62 -0.04 0.00 1.00 0.00 0.00 64.86 64.49 3k0f h ILE 363 Cb 0.21 2.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.69 3k0f h ILE 363 CO -0.08 0.44 0.24 0.11 0.00 0.00 0.00 178.15 178.86 3k0f h LYS 364 N -0.40 0.91 -0.13 2.37 1.57 -0.70 -1.61 116.57 118.58 3k0f h LYS 364 Ca -0.01 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 3k0f h LYS 364 Cb 0.80 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 3k0f h LYS 364 CO 0.03 0.78 0.05 1.03 -0.57 0.00 0.00 179.45 180.77 3k0f h SER 365 N 0.85 0.18 0.01 0.86 0.87 0.12 -2.44 113.55 114.01 3k0f h SER 365 Ca 0.20 -0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.58 3k0f h SER 365 Cb 0.20 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.11 3k0f h SER 365 CO -0.02 0.31 -0.01 -0.08 -0.53 0.00 0.00 176.83 176.51 3k0f h GLU 366 N 0.04 0.00 -0.24 2.24 4.57 -1.09 -2.28 114.58 117.82 3k0f h GLU 366 Ca 0.04 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.11 3k0f h GLU 366 Cb 0.19 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.78 3k0f h GLU 366 CO -0.00 0.01 -0.29 0.82 -1.18 0.00 0.00 179.01 178.37 3k0f h ILE 367 N 0.00 1.32 0.43 2.32 2.04 -0.87 -3.20 117.51 119.55 3k0f h ILE 367 Ca -0.00 -1.47 -0.02 0.00 1.00 0.00 0.00 64.86 64.36 3k0f h ILE 367 Cb 0.02 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 3k0f h ILE 367 CO 0.00 0.46 -0.21 0.78 0.00 0.00 0.00 178.15 179.18 3k0f h ASN 368 N 0.32 -0.49 0.19 1.72 2.35 -0.96 0.32 115.58 119.03 3k0f h ASN 368 Ca 0.03 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3k0f h ASN 368 Cb 0.86 0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.36 3k0f h ASN 368 CO 0.07 -0.23 0.00 0.47 -1.65 0.00 0.00 177.43 176.09 3k0f n ASP 369 N -5.28 0.14 0.00 5.81 8.00 -1.10 -2.75 116.55 121.38 3k0f n ASP 369 Ca -0.11 0.55 0.00 0.00 0.71 0.00 0.00 54.79 55.94 3k0f n ASP 369 Cb 0.28 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 3k0f n ASP 369 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3k0f n PHE 370 N -1.68 0.00 -4.10 1.24 7.35 -1.16 -5.06 117.46 114.06 3k0f n PHE 370 Ca 0.01 0.00 -0.36 0.00 -0.76 0.00 0.00 57.45 56.34 3k0f n PHE 370 Cb 0.07 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 39.87 3k0f n PHE 370 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 3k0f n LYS 371 N -0.86 -1.16 -0.90 -4.13 -0.00 0.11 -4.92 118.16 106.29 3k0f n LYS 371 Ca 0.00 0.18 -0.33 0.00 -0.00 0.00 0.00 58.31 58.17 3k0f n LYS 371 Cb 0.00 -3.45 0.14 0.00 -0.00 0.00 0.00 35.03 31.72 3k0f n LYS 371 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 3k0f n PRO 372 N -4.68 -0.13 -0.05 -1.58 -0.02 -1.25 -4.82 135.00 122.48 3k0f n PRO 372 Ca -0.22 0.03 -0.05 0.00 -2.02 0.00 0.00 63.50 61.23 3k0f n PRO 372 Cb 0.64 -2.29 -0.07 0.00 -0.02 0.00 0.00 33.50 31.76 3k0f n PRO 372 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k0f n ALA 373 N -3.65 1.75 -2.60 3.55 0.00 0.13 -4.84 120.51 114.85 3k0f n ALA 373 Ca 0.12 -0.63 -0.22 0.00 0.00 0.00 0.00 53.44 52.71 3k0f n ALA 373 Cb 0.51 0.07 -0.14 0.00 0.00 0.00 0.00 19.45 19.90 3k0f n ALA 373 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3k0f s ARG 374 N -2.24 1.07 0.03 0.00 0.52 -1.21 -1.59 118.95 115.53 3k0f s ARG 374 Ca -0.07 -0.81 0.01 0.00 -0.52 0.00 0.00 55.73 54.34 3k0f s ARG 374 Cb 0.03 -1.11 -0.02 0.00 0.52 0.00 0.00 34.95 34.37 3k0f s ARG 374 CO 0.38 0.28 -0.06 0.42 0.02 0.00 0.00 175.30 176.35 3k0f s ILE 375 N -0.83 0.35 -0.13 1.52 1.01 0.28 -1.99 121.20 121.41 3k0f s ILE 375 Ca 0.03 -0.89 -0.05 0.00 0.00 0.00 0.00 60.65 59.75 3k0f s ILE 375 Cb -0.08 -0.43 0.06 0.00 0.01 0.00 0.00 42.46 42.02 3k0f s ILE 375 CO 0.01 -0.36 0.28 0.00 0.00 0.00 0.00 174.94 174.88 3k0f s ALA 376 N -1.22 -0.63 -0.38 9.38 0.00 -0.20 0.02 121.76 128.73 3k0f s ALA 376 Ca -0.10 1.03 -0.05 0.00 0.00 0.00 0.00 51.96 52.83 3k0f s ALA 376 Cb -0.09 -0.93 0.08 0.00 0.00 0.00 0.00 23.12 22.18 3k0f s ALA 376 CO -0.00 -0.51 0.17 0.42 0.00 0.00 0.00 175.76 175.84 3k0f s ILE 377 N 2.06 3.55 -0.54 0.00 1.01 -0.81 -0.08 121.20 126.39 3k0f s ILE 377 Ca -0.03 -1.62 -0.28 0.00 0.00 0.00 0.00 60.65 58.72 3k0f s ILE 377 Cb -0.11 -3.22 0.02 0.00 0.01 0.00 0.00 42.46 39.15 3k0f s ILE 377 CO -0.09 -0.46 1.34 -0.62 0.00 0.00 0.00 174.94 175.12 3k0f s ASP 378 N 1.75 6.27 0.00 3.58 -1.08 -0.44 -2.07 116.67 124.67 3k0f s ASP 378 Ca 0.03 0.35 0.00 0.00 -0.52 0.00 0.00 52.55 52.40 3k0f s ASP 378 Cb -0.22 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.69 3k0f s ASP 378 CO -0.01 -1.58 0.00 -0.24 0.52 0.00 0.00 175.17 173.86 3k0f n SER 379 N 9.08 -1.50 0.07 -0.34 2.88 -1.22 -3.76 113.62 118.82 3k0f n SER 379 Ca 0.12 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.58 3k0f n SER 379 Cb 0.49 -0.75 0.06 0.00 -0.75 0.00 0.00 64.21 63.26 3k0f n SER 379 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3k0f h LEU 380 N 0.00 0.37 -2.66 2.46 3.38 -0.10 -2.84 115.31 115.92 3k0f h LEU 380 Ca 0.00 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 3k0f h LEU 380 Cb 0.00 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3k0f h LEU 380 CO 0.00 0.96 -0.01 0.77 0.09 0.00 0.00 178.44 180.25 3k0f h SER 381 N 0.21 0.00 1.64 -0.43 4.64 -1.94 0.16 113.55 117.84 3k0f h SER 381 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3k0f h SER 381 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3k0f h SER 381 CO 0.11 0.01 -0.28 0.00 -0.87 0.00 0.00 176.83 175.80 3k0f h ALA 382 N 1.99 0.85 0.00 5.18 0.00 -1.84 -3.14 119.26 122.31 3k0f h ALA 382 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3k0f h ALA 382 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3k0f h ALA 382 CO 0.00 0.00 -1.04 1.28 0.00 0.00 0.00 179.25 179.49 3k0f n LEU 383 N -2.87 0.63 0.00 0.00 4.77 0.43 -3.82 117.00 116.14 3k0f n LEU 383 Ca 0.03 0.11 0.11 0.00 -0.03 0.00 0.00 56.01 56.23 3k0f n LEU 383 Cb 0.52 -0.09 0.56 0.00 -2.33 0.00 0.00 43.42 42.07 3k0f n LEU 383 CO 0.35 -0.03 0.86 0.00 -1.33 0.00 0.00 177.39 177.24 3k0f n ALA 384 N -1.95 2.14 -1.71 -1.18 0.00 -0.50 -4.73 120.51 112.57 3k0f n ALA 384 Ca 0.01 -0.10 -0.43 0.00 0.00 0.00 0.00 53.44 52.92 3k0f n ALA 384 Cb 0.48 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 18.55 3k0f n ALA 384 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3k0f n ARG 385 N -1.31 2.32 0.00 0.00 1.74 -1.25 -3.91 116.66 114.25 3k0f n ARG 385 Ca 0.10 0.82 0.00 0.00 -0.77 0.00 0.00 57.85 58.00 3k0f n ARG 385 Cb 0.19 -2.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.14 3k0f n ARG 385 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k0f n GLY 386 N 1.35 1.04 1.84 -0.13 0.00 -1.26 -4.90 105.19 103.13 3k0f n GLY 386 Ca 0.07 0.37 -0.24 0.00 0.00 0.00 0.00 46.02 46.22 3k0f n GLY 386 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3k0f n VAL 387 N 0.00 0.58 -0.57 1.61 0.31 -1.25 -4.93 118.33 114.08 3k0f n VAL 387 Ca 0.00 -0.28 -0.30 0.00 -0.01 0.00 0.00 64.34 63.75 3k0f n VAL 387 Cb 0.00 0.00 0.27 0.00 -0.91 0.00 0.00 33.84 33.20 3k0f n VAL 387 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3k0f n SER 388 N 1.23 -3.31 0.09 4.52 3.41 -1.26 -4.88 113.62 113.42 3k0f n SER 388 Ca 0.07 -1.00 -0.22 0.00 -0.26 0.00 0.00 58.87 57.46 3k0f n SER 388 Cb 0.20 -0.99 -0.15 0.00 -0.26 0.00 0.00 64.21 63.00 3k0f n SER 388 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 3k0f h ASN 389 N -3.26 0.63 0.32 4.04 -0.73 -1.95 -3.04 115.58 111.60 3k0f h ASN 389 Ca -0.40 -0.88 -0.16 0.00 1.87 0.00 0.00 56.30 56.73 3k0f h ASN 389 Cb 1.29 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 39.66 3k0f h ASN 389 CO 0.25 1.73 -0.65 0.78 -0.37 0.00 0.00 177.43 179.17 3k0f h ASN 390 N 0.11 0.36 -0.26 1.15 2.35 -1.98 0.90 115.58 118.21 3k0f h ASN 390 Ca -0.32 -0.22 -0.05 0.00 -0.55 0.00 0.00 56.30 55.17 3k0f h ASN 390 Cb 2.10 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 40.35 3k0f h ASN 390 CO 0.19 0.91 0.01 0.00 -1.65 0.00 0.00 177.43 176.89 3k0f h ALA 391 N 1.09 1.34 0.25 -0.83 0.00 -1.95 -0.84 119.26 118.31 3k0f h ALA 391 Ca -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3k0f h ALA 391 Cb 1.19 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3k0f h ALA 391 CO 0.11 0.46 -0.12 0.35 0.00 0.00 0.00 179.25 180.04 3k0f h PHE 392 N 0.54 -0.31 -0.94 0.00 3.57 -1.32 -2.49 116.94 115.98 3k0f h PHE 392 Ca 0.12 -0.01 0.27 0.00 3.53 0.00 0.00 57.97 61.87 3k0f h PHE 392 Cb 0.34 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 3k0f h PHE 392 CO 0.01 0.06 0.67 0.00 -2.23 0.00 0.00 178.31 176.82 3k0f h ARG 393 N -0.86 0.06 -0.06 1.11 3.08 -0.64 0.89 114.38 117.97 3k0f h ARG 393 Ca -0.03 -0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.86 3k0f h ARG 393 Cb 0.51 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 3k0f h ARG 393 CO 0.06 0.04 -0.63 0.37 -1.07 0.00 0.00 179.97 178.74 3k0f h GLN 394 N 0.06 0.21 -0.19 0.04 4.15 -1.04 -0.71 115.11 117.64 3k0f h GLN 394 Ca 0.46 -0.15 -0.13 0.00 0.77 0.00 0.00 58.65 59.60 3k0f h GLN 394 Cb 1.72 0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.44 3k0f h GLN 394 CO -0.04 0.77 -0.37 0.35 -1.93 0.00 0.00 178.83 177.60 3k0f h PHE 395 N 0.15 0.73 -0.82 3.99 3.57 0.11 -2.11 116.94 122.56 3k0f h PHE 395 Ca -0.01 -0.27 -0.04 0.00 3.53 0.00 0.00 57.97 61.19 3k0f h PHE 395 Cb 1.14 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.71 3k0f h PHE 395 CO 0.02 1.01 0.37 0.28 -2.23 0.00 0.00 178.31 177.76 3k0f h VAL 396 N 0.25 1.26 -0.75 1.41 2.07 -0.66 -1.40 116.25 118.42 3k0f h VAL 396 Ca 0.01 -0.77 -0.05 0.00 0.82 0.00 0.00 66.70 66.71 3k0f h VAL 396 Cb 0.97 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3k0f h VAL 396 CO 0.08 0.32 0.29 0.40 0.02 0.00 0.00 177.57 178.69 3k0f h ILE 397 N 1.18 1.26 0.33 4.57 1.08 -1.11 -2.50 117.51 122.31 3k0f h ILE 397 Ca 0.28 -0.81 -0.01 0.00 -0.39 0.00 0.00 64.86 63.93 3k0f h ILE 397 Cb 0.16 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 34.29 3k0f h ILE 397 CO -0.03 0.33 -0.26 1.23 -0.69 0.00 0.00 178.15 178.72 3k0f h GLY 398 N 1.08 -0.93 0.92 5.37 0.00 -0.56 -1.76 103.07 107.19 3k0f h GLY 398 Ca 0.25 0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.99 3k0f h GLY 398 CO -0.02 -0.31 0.00 -0.62 0.00 0.00 0.00 176.54 175.59 3k0f n VAL 399 N -3.95 0.00 -0.08 4.60 0.31 -0.83 -2.40 118.33 115.98 3k0f n VAL 399 Ca -0.07 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.03 3k0f n VAL 399 Cb 0.25 -0.48 -0.12 0.00 -0.91 0.00 0.00 33.84 32.58 3k0f n VAL 399 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3k0f n THR 400 N -0.96 1.60 0.07 2.52 -1.04 -0.94 -3.92 114.28 111.61 3k0f n THR 400 Ca 0.21 -0.39 -0.21 0.00 -2.04 0.00 0.00 64.05 61.62 3k0f n THR 400 Cb 0.10 -1.80 -0.12 0.00 -1.82 0.00 0.00 70.33 66.69 3k0f n THR 400 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3k0f h GLY 401 N 0.18 0.73 1.04 3.41 0.00 -1.36 -1.59 103.07 105.48 3k0f h GLY 401 Ca -0.49 -1.42 0.10 0.00 0.00 0.00 0.00 47.33 45.52 3k0f h GLY 401 CO -0.14 1.25 0.40 -1.82 0.00 0.00 0.00 176.54 176.22 3k0f h TYR 402 N 0.32 0.41 0.12 5.60 3.20 -1.69 0.16 116.97 125.09 3k0f h TYR 402 Ca -0.16 0.01 -0.29 0.00 3.14 0.00 0.00 58.73 61.42 3k0f h TYR 402 Cb 1.82 -0.13 0.03 0.00 1.54 0.00 0.00 36.73 39.99 3k0f h TYR 402 CO 0.11 0.20 -1.23 0.00 -1.64 0.00 0.00 178.16 175.59 3k0f h ALA 403 N 1.70 0.03 -0.61 1.82 0.00 -1.66 -2.89 119.26 117.65 3k0f h ALA 403 Ca 0.27 -0.78 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 3k0f h ALA 403 Cb 0.56 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3k0f h ALA 403 CO -0.07 0.73 0.29 0.87 0.00 0.00 0.00 179.25 181.06 3k0f h LYS 404 N 0.25 0.87 0.01 0.00 1.57 0.18 -1.47 116.57 117.98 3k0f h LYS 404 Ca -0.18 -0.13 -0.19 0.00 -1.87 0.00 0.00 60.65 58.28 3k0f h LYS 404 Cb 1.91 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 34.04 3k0f h LYS 404 CO 0.23 0.71 -0.88 -0.56 -0.57 0.00 0.00 179.45 178.38 3k0f h GLN 405 N 0.83 0.05 0.00 3.15 3.07 -0.93 -3.08 115.11 118.19 3k0f h GLN 405 Ca 0.21 -0.06 0.00 0.00 0.09 0.00 0.00 58.65 58.89 3k0f h GLN 405 Cb 0.12 0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.70 3k0f h GLN 405 CO -0.03 0.90 0.00 -1.91 0.09 0.00 0.00 178.83 177.88 3k0f n GLU 406 N -3.54 0.73 0.00 0.06 4.07 -1.09 -4.77 120.64 116.11 3k0f n GLU 406 Ca -0.01 0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3k0f n GLU 406 Cb 0.83 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.71 3k0f n GLU 406 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3k0f n GLU 407 N -1.05 0.00 -1.76 5.31 -0.58 -1.07 -4.99 120.64 116.49 3k0f n GLU 407 Ca 0.18 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.51 3k0f n GLU 407 Cb 0.11 -1.43 -0.01 0.00 -0.57 0.00 0.00 31.44 29.54 3k0f n GLU 407 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 3k0f n ILE 408 N -2.00 1.71 -3.48 -3.67 5.41 -0.58 -4.48 119.36 112.27 3k0f n ILE 408 Ca 0.00 -0.43 -0.37 0.00 1.00 0.00 0.00 62.75 62.95 3k0f n ILE 408 Cb 0.00 -1.95 -0.08 0.00 -0.71 0.00 0.00 39.64 36.90 3k0f n ILE 408 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 3k0f s THR 409 N -0.79 5.26 0.02 1.39 2.01 -0.62 -4.43 115.64 118.48 3k0f s THR 409 Ca 0.57 0.57 0.05 0.00 0.31 0.00 0.00 61.69 63.19 3k0f s THR 409 Cb -0.49 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.34 3k0f s THR 409 CO 0.59 0.31 -0.15 -0.83 -0.69 0.00 0.00 174.62 173.85 3k0f s GLY 410 N 0.88 0.81 -0.25 4.40 0.00 -1.21 0.10 107.32 112.06 3k0f s GLY 410 Ca 0.16 -0.78 -0.03 0.00 0.00 0.00 0.00 44.72 44.08 3k0f s GLY 410 CO 0.06 -0.71 -0.03 -2.27 0.00 0.00 0.00 173.10 170.16 3k0f s LEU 411 N -0.79 3.24 -0.12 0.66 2.96 0.10 -0.54 118.68 124.19 3k0f s LEU 411 Ca 0.04 -0.72 -0.03 0.00 -0.22 0.00 0.00 54.13 53.20 3k0f s LEU 411 Cb -0.07 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 3k0f s LEU 411 CO 0.01 -0.11 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.55 3k0f s PHE 412 N 1.40 3.10 0.01 5.38 0.40 0.43 -1.93 117.98 126.76 3k0f s PHE 412 Ca 0.02 -0.00 -0.06 0.00 -0.60 0.00 0.00 56.93 56.29 3k0f s PHE 412 Cb -0.16 -1.87 -0.05 0.00 0.51 0.00 0.00 43.02 41.46 3k0f s PHE 412 CO -0.03 0.25 0.25 0.99 0.70 0.00 0.00 175.22 177.38 3k0f s THR 413 N -0.32 5.33 -0.16 0.64 2.01 -0.88 0.06 115.64 122.31 3k0f s THR 413 Ca 0.06 0.09 -0.06 0.00 0.31 0.00 0.00 61.69 62.09 3k0f s THR 413 Cb -0.12 -3.56 0.07 0.00 0.01 0.00 0.00 72.50 68.90 3k0f s THR 413 CO 0.02 0.35 0.34 0.21 -0.69 0.00 0.00 174.62 174.85 3k0f s ASN 414 N -1.76 -0.04 -0.54 3.53 2.47 0.14 0.54 114.94 119.28 3k0f s ASN 414 Ca 0.28 0.79 -0.17 0.00 0.42 0.00 0.00 52.86 54.17 3k0f s ASN 414 Cb -0.13 0.95 0.11 0.00 -1.45 0.00 0.00 41.25 40.73 3k0f s ASN 414 CO 0.17 -0.23 0.55 -0.89 -3.72 0.00 0.00 177.10 172.98 3k0f s THR 415 N 2.30 5.09 0.03 -5.21 2.01 -1.26 -1.55 115.64 117.04 3k0f s THR 415 Ca -0.02 -1.22 -0.30 0.00 0.31 0.00 0.00 61.69 60.46 3k0f s THR 415 Cb -0.11 -4.34 -0.08 0.00 0.01 0.00 0.00 72.50 67.97 3k0f s THR 415 CO -0.11 -0.89 1.82 -0.94 -0.69 0.00 0.00 174.62 173.81 3k0f s SER 416 N 3.38 6.53 0.00 3.53 1.04 -0.41 -4.83 113.70 122.94 3k0f s SER 416 Ca 0.06 2.54 0.00 0.00 0.48 0.00 0.00 55.95 59.03 3k0f s SER 416 Cb -0.27 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.31 3k0f s SER 416 CO 0.05 -0.99 0.33 0.47 0.98 0.00 0.00 173.24 174.08 3k0f n ASP 417 N 6.89 0.00 -3.66 7.02 8.00 -1.26 -4.32 116.55 129.22 3k0f n ASP 417 Ca 0.18 0.01 -0.11 0.00 0.71 0.00 0.00 54.79 55.59 3k0f n ASP 417 Cb 0.41 -0.01 -0.11 0.00 -0.02 0.00 0.00 41.12 41.39 3k0f n ASP 417 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k0f s GLN 418 N -1.66 0.25 0.11 -1.24 -2.07 -1.26 -5.09 119.66 108.70 3k0f s GLN 418 Ca 0.00 0.91 -0.31 0.00 -1.82 0.00 0.00 55.36 54.14 3k0f s GLN 418 Cb 0.00 0.17 -0.07 0.00 -1.09 0.00 0.00 33.01 32.02 3k0f s GLN 418 CO 0.00 -0.26 1.28 -0.59 -1.32 0.00 0.00 175.29 174.40 3k0f s PHE 419 N 2.50 3.35 -0.05 9.60 -0.12 -1.26 -4.08 117.98 127.91 3k0f s PHE 419 Ca -0.01 1.18 -0.05 0.00 -0.05 0.00 0.00 56.93 58.01 3k0f s PHE 419 Cb -0.12 -3.54 0.02 0.00 -0.63 0.00 0.00 43.02 38.75 3k0f s PHE 419 CO -0.11 -1.74 0.09 -1.33 -0.05 0.00 0.00 175.22 172.08 3k0f n MET 420 N 3.63 -4.76 0.00 1.99 2.81 -1.26 -4.79 117.12 114.73 3k0f n MET 420 Ca 0.09 3.50 0.00 0.00 -1.81 0.00 0.00 57.70 59.48 3k0f n MET 420 Cb 0.44 -4.64 0.00 0.00 -0.71 0.00 0.00 33.22 28.31 3k0f n MET 420 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3k0f n GLY 421 N 1.84 1.45 3.44 3.03 0.00 -0.86 -4.90 105.19 109.17 3k0f n GLY 421 Ca -0.15 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.37 3k0f n GLY 421 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k0f n ALA 422 N 0.00 0.92 1.40 4.61 0.00 -1.26 -4.79 120.51 121.39 3k0f n ALA 422 Ca 0.00 -0.11 0.14 0.00 0.00 0.00 0.00 53.44 53.46 3k0f n ALA 422 Cb 0.00 -2.53 0.54 0.00 0.00 0.00 0.00 19.45 17.46 3k0f n ALA 422 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3k0f n HIS 423 N 10.12 0.00 -3.89 0.00 8.25 -1.26 -4.86 115.22 123.57 3k0f n HIS 423 Ca 0.44 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.77 3k0f n HIS 423 Cb 0.21 -0.12 -0.14 0.00 1.12 0.00 0.00 29.99 31.05 3k0f n HIS 423 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3k0f s SER 424 N -2.39 0.08 0.02 0.41 1.04 -1.26 -5.07 113.70 106.54 3k0f s SER 424 Ca 0.30 -0.01 -0.10 0.00 0.48 0.00 0.00 55.95 56.62 3k0f s SER 424 Cb 0.20 -0.02 -0.05 0.00 0.10 0.00 0.00 66.02 66.25 3k0f s SER 424 CO 0.46 -0.01 1.16 0.40 0.98 0.00 0.00 173.24 176.24 3k0f h ILE 425 N 5.25 0.00 -3.46 -1.02 5.03 -2.01 -3.42 117.51 117.88 3k0f h ILE 425 Ca -0.27 0.00 -0.68 0.00 -0.12 0.00 0.00 64.86 63.80 3k0f h ILE 425 Cb 1.20 0.00 -0.31 0.00 -3.03 0.00 0.00 36.82 34.68 3k0f h ILE 425 CO 0.51 0.00 -0.85 0.00 -0.68 0.00 0.00 178.15 177.13 3k0f s ALA 426 N -3.99 2.31 0.46 1.87 0.00 -1.26 -4.80 121.76 116.35 3k0f s ALA 426 Ca -0.05 -0.96 0.12 0.00 0.00 0.00 0.00 51.96 51.07 3k0f s ALA 426 Cb 0.01 -0.90 1.04 0.00 0.00 0.00 0.00 23.12 23.27 3k0f s ALA 426 CO 0.17 0.31 2.08 -0.44 0.00 0.00 0.00 175.76 177.88 3k0f h ASP 427 N 6.56 0.21 1.67 0.00 3.32 -1.97 -1.74 116.42 124.48 3k0f h ASP 427 Ca -0.24 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.80 3k0f h ASP 427 Cb 1.22 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.72 3k0f h ASP 427 CO 0.49 0.19 0.00 0.77 -1.72 0.00 0.00 179.24 178.97 3k0f h SER 428 N 0.24 0.00 -2.86 6.45 4.64 -1.98 -3.48 113.55 116.56 3k0f h SER 428 Ca 0.06 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.24 3k0f h SER 428 Cb 0.04 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.18 3k0f h SER 428 CO -0.01 0.00 -0.25 1.41 -0.87 0.00 0.00 176.83 177.11 3k0f n HIS 429 N -2.75 -1.03 0.02 4.77 8.25 -0.65 -4.95 115.22 118.87 3k0f n HIS 429 Ca 0.04 0.37 0.08 0.00 -0.26 0.00 0.00 57.72 57.95 3k0f n HIS 429 Cb 0.46 -2.58 0.27 0.00 1.12 0.00 0.00 29.99 29.26 3k0f n HIS 429 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3k0f n ILE 430 N -3.24 1.16 0.92 1.59 2.08 -1.26 -4.49 119.36 116.12 3k0f n ILE 430 Ca -0.01 -0.84 0.00 0.00 0.56 0.00 0.00 62.75 62.45 3k0f n ILE 430 Cb 0.53 0.16 0.00 0.00 -0.75 0.00 0.00 39.64 39.58 3k0f n ILE 430 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 3k0f n SER 431 N 0.95 2.58 0.00 4.38 3.41 -1.26 -2.70 113.62 120.97 3k0f n SER 431 Ca 0.19 -1.83 0.00 0.00 -0.26 0.00 0.00 58.87 56.97 3k0f n SER 431 Cb 0.62 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 3k0f n SER 431 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k0f n ALA 432 N 0.50 1.63 1.40 7.33 0.00 -1.26 -4.62 120.51 125.48 3k0f n ALA 432 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3k0f n ALA 432 Cb 0.44 0.13 0.46 0.00 0.00 0.00 0.00 19.45 20.48 3k0f n ALA 432 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3k0f n ILE 433 N -1.43 0.12 -4.19 0.00 -0.00 -1.10 -4.89 119.36 107.88 3k0f n ILE 433 Ca 0.00 -0.28 -0.27 0.00 -0.00 0.00 0.00 62.75 62.20 3k0f n ILE 433 Cb 0.26 0.32 -0.08 0.00 -0.00 0.00 0.00 39.64 40.14 3k0f n ILE 433 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 3k0f s THR 434 N -1.88 3.78 -0.24 1.39 -1.32 -1.24 -4.96 115.64 111.18 3k0f s THR 434 Ca 0.34 -1.36 -0.00 0.00 -1.21 0.00 0.00 61.69 59.46 3k0f s THR 434 Cb 0.18 -2.89 -0.15 0.00 -1.51 0.00 0.00 72.50 68.14 3k0f s THR 434 CO 0.28 -0.08 -0.23 0.47 -2.21 0.00 0.00 174.62 172.86 3k0f n ASP 435 N -0.04 2.11 -3.98 8.08 8.00 -1.13 -4.96 116.55 124.63 3k0f n ASP 435 Ca -0.10 -0.06 -0.27 0.00 0.71 0.00 0.00 54.79 55.07 3k0f n ASP 435 Cb 0.55 -0.43 -0.17 0.00 -0.02 0.00 0.00 41.12 41.05 3k0f n ASP 435 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3k0f s THR 436 N -2.47 1.23 -0.22 -3.53 2.01 -0.71 -2.55 115.64 109.40 3k0f s THR 436 Ca -0.32 -0.46 -0.04 0.00 0.31 0.00 0.00 61.69 61.17 3k0f s THR 436 Cb 0.09 -1.17 -0.01 0.00 0.01 0.00 0.00 72.50 71.42 3k0f s THR 436 CO 0.53 0.39 -0.03 -0.63 -0.69 0.00 0.00 174.62 174.19 3k0f s ILE 437 N 1.24 3.51 -0.14 1.82 1.01 -0.33 -0.67 121.20 127.63 3k0f s ILE 437 Ca -0.03 -0.45 -0.03 0.00 0.00 0.00 0.00 60.65 60.14 3k0f s ILE 437 Cb -0.14 -2.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 3k0f s ILE 437 CO -0.04 0.42 -0.03 -0.63 0.00 0.00 0.00 174.94 174.66 3k0f s ILE 438 N 1.45 4.01 -0.17 2.92 -1.09 0.79 -1.06 121.20 128.03 3k0f s ILE 438 Ca 0.05 -0.33 0.01 0.00 -2.23 0.00 0.00 60.65 58.15 3k0f s ILE 438 Cb -0.14 -2.74 0.03 0.00 -1.58 0.00 0.00 42.46 38.02 3k0f s ILE 438 CO -0.02 0.51 -0.14 -0.22 -1.23 0.00 0.00 174.94 173.85 3k0f s LEU 439 N 0.13 1.95 0.04 2.97 2.96 -0.28 -1.42 118.68 125.03 3k0f s LEU 439 Ca -0.00 -0.65 0.01 0.00 -0.22 0.00 0.00 54.13 53.26 3k0f s LEU 439 Cb -0.13 -1.24 -0.04 0.00 0.50 0.00 0.00 46.19 45.28 3k0f s LEU 439 CO 0.03 -0.08 0.12 -0.76 -1.32 0.00 0.00 176.35 174.33 3k0f s LEU 440 N 1.43 4.02 -0.29 -0.68 1.43 -0.66 -1.04 118.68 122.89 3k0f s LEU 440 Ca 0.03 0.14 -0.21 0.00 -1.03 0.00 0.00 54.13 53.06 3k0f s LEU 440 Cb -0.14 -2.53 0.14 0.00 0.03 0.00 0.00 46.19 43.69 3k0f s LEU 440 CO -0.10 0.22 1.02 0.00 0.23 0.00 0.00 176.35 177.71 3k0f s GLN 441 N -2.15 0.43 0.35 1.70 -2.07 -0.94 -4.24 119.66 112.74 3k0f s GLN 441 Ca 0.28 0.61 -0.27 0.00 -1.82 0.00 0.00 55.36 54.16 3k0f s GLN 441 Cb -0.12 0.15 -0.09 0.00 -1.09 0.00 0.00 33.01 31.86 3k0f s GLN 441 CO 0.20 -0.07 1.20 0.71 -1.32 0.00 0.00 175.29 176.01 3k0f s TYR 442 N 0.77 3.18 -0.19 9.60 1.51 -1.26 -2.53 117.35 128.43 3k0f s TYR 442 Ca -0.03 1.54 -0.00 0.00 -1.01 0.00 0.00 57.07 57.58 3k0f s TYR 442 Cb -0.04 -3.46 0.05 0.00 -0.11 0.00 0.00 41.96 38.40 3k0f s TYR 442 CO -0.11 -1.31 -0.05 0.08 -1.11 0.00 0.00 175.55 173.06 3k0f s VAL 443 N -1.26 1.21 -0.22 0.71 1.01 0.19 -4.41 120.40 117.63 3k0f s VAL 443 Ca 0.51 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 61.37 3k0f s VAL 443 Cb -0.34 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 3k0f s VAL 443 CO 0.44 0.02 1.88 -0.70 0.00 0.00 0.00 175.10 176.73 3k0f s GLU 444 N 1.57 3.53 -0.16 2.72 2.12 0.17 -2.63 118.70 126.01 3k0f s GLU 444 Ca -0.02 1.82 -0.01 0.00 0.36 0.00 0.00 54.97 57.13 3k0f s GLU 444 Cb -0.17 -4.19 0.04 0.00 0.26 0.00 0.00 34.13 30.08 3k0f s GLU 444 CO -0.07 -1.62 -0.04 0.42 -0.54 0.00 0.00 175.26 173.40 3k0f s ILE 445 N 6.41 1.00 -0.73 -3.70 -1.09 0.43 -4.13 121.20 119.39 3k0f s ILE 445 Ca 0.84 -0.58 -0.09 0.00 -2.23 0.00 0.00 60.65 58.59 3k0f s ILE 445 Cb -0.29 -1.22 0.01 0.00 -1.58 0.00 0.00 42.46 39.39 3k0f s ILE 445 CO 0.34 0.10 0.62 0.54 -1.23 0.00 0.00 174.94 175.31 3k0f n ARG 446 N 4.91 -1.63 -2.12 2.79 1.74 -1.26 -0.52 116.66 120.56 3k0f n ARG 446 Ca -0.11 0.98 -0.12 0.00 -0.77 0.00 0.00 57.85 57.83 3k0f n ARG 446 Cb 0.48 -2.54 -0.02 0.00 -1.02 0.00 0.00 32.46 29.36 3k0f n ARG 446 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k0f n GLY 447 N -1.31 -0.01 2.96 -0.13 0.00 -1.26 -4.94 105.19 100.50 3k0f n GLY 447 Ca -0.24 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 3k0f n GLY 447 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k0f s GLU 448 N -4.45 0.28 -0.92 1.61 2.02 0.32 -5.11 118.70 112.45 3k0f s GLU 448 Ca 0.00 -0.45 -0.16 0.00 0.02 0.00 0.00 54.97 54.37 3k0f s GLU 448 Cb 0.00 -0.02 0.17 0.00 0.10 0.00 0.00 34.13 34.39 3k0f s GLU 448 CO 0.00 -0.01 1.02 -1.64 0.02 0.00 0.00 175.26 174.65 3k0f s MET 449 N -1.03 3.66 0.12 1.61 -1.94 -1.26 -0.43 119.30 120.03 3k0f s MET 449 Ca -0.10 -2.13 -0.01 0.00 -1.71 0.00 0.00 55.69 51.75 3k0f s MET 449 Cb -0.07 -4.74 -0.04 0.00 2.01 0.00 0.00 34.83 31.99 3k0f s MET 449 CO -0.00 -1.58 0.29 -1.54 -0.01 0.00 0.00 175.02 172.18 3k0f s SER 450 N 2.96 6.39 0.74 3.03 1.04 -1.08 -4.90 113.70 121.88 3k0f s SER 450 Ca 0.28 0.36 -0.03 0.00 0.48 0.00 0.00 55.95 57.03 3k0f s SER 450 Cb -0.07 -1.99 0.12 0.00 0.10 0.00 0.00 66.02 64.18 3k0f s SER 450 CO -0.09 0.09 1.02 -0.13 0.98 0.00 0.00 173.24 175.11 3k0f s ARG 451 N -2.79 1.66 -0.18 4.02 3.00 -1.26 0.54 118.95 123.94 3k0f s ARG 451 Ca 0.37 -0.90 -0.28 0.00 0.00 0.00 0.00 55.73 54.92 3k0f s ARG 451 Cb -0.12 -2.26 0.09 0.00 0.00 0.00 0.00 34.95 32.66 3k0f s ARG 451 CO 0.27 -1.50 0.83 0.00 0.00 0.00 0.00 175.30 174.91 3k0f s ALA 452 N -3.23 -1.85 -0.02 2.13 0.00 -1.05 -3.28 121.76 114.46 3k0f s ALA 452 Ca 0.66 1.69 0.04 0.00 0.00 0.00 0.00 51.96 54.34 3k0f s ALA 452 Cb -0.06 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.28 3k0f s ALA 452 CO 0.45 -0.32 -0.13 -1.50 0.00 0.00 0.00 175.76 174.26 3k0f s ILE 453 N -0.45 1.03 -0.09 0.00 2.07 0.27 -2.21 121.20 121.82 3k0f s ILE 453 Ca -0.03 -0.54 -0.04 0.00 -1.41 0.00 0.00 60.65 58.64 3k0f s ILE 453 Cb -0.03 -0.87 0.05 0.00 0.13 0.00 0.00 42.46 41.75 3k0f s ILE 453 CO 0.02 0.30 0.18 0.21 -1.91 0.00 0.00 174.94 173.74 3k0f s ASN 454 N -0.17 0.56 -0.63 4.50 2.47 -0.20 -1.50 114.94 119.96 3k0f s ASN 454 Ca 0.02 0.38 -0.27 0.00 0.42 0.00 0.00 52.86 53.41 3k0f s ASN 454 Cb -0.06 0.33 0.01 0.00 -1.45 0.00 0.00 41.25 40.08 3k0f s ASN 454 CO -0.00 -0.23 1.52 -0.69 -3.72 0.00 0.00 177.10 173.97 3k0f s VAL 455 N 2.15 3.62 -0.01 -5.21 1.01 -1.26 -1.13 120.40 119.58 3k0f s VAL 455 Ca 0.01 0.43 -0.24 0.00 0.00 0.00 0.00 61.98 62.18 3k0f s VAL 455 Cb -0.12 -4.43 -0.16 0.00 0.00 0.00 0.00 36.38 31.66 3k0f s VAL 455 CO -0.06 -1.31 1.15 0.15 0.00 0.00 0.00 175.10 175.03 3k0f h PHE 456 N 11.96 -0.33 -3.10 5.22 3.57 -1.43 -3.44 116.94 129.38 3k0f h PHE 456 Ca -0.27 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.09 3k0f h PHE 456 Cb 1.10 0.11 -0.22 0.00 2.79 0.00 0.00 35.95 39.73 3k0f h PHE 456 CO 1.07 0.03 -0.35 -1.59 -2.23 0.00 0.00 178.31 175.24 3k0f s LYS 457 N -4.37 0.51 -0.21 1.11 -2.85 -1.20 -4.99 119.74 107.74 3k0f s LYS 457 Ca -0.14 0.02 -0.04 0.00 -1.00 0.00 0.00 55.97 54.81 3k0f s LYS 457 Cb 0.02 0.23 0.10 0.00 -2.06 0.00 0.00 37.83 36.12 3k0f s LYS 457 CO 0.53 -0.12 0.26 -1.64 0.10 0.00 0.00 175.35 174.48 3k0f s MET 458 N -0.74 0.23 0.25 1.78 -1.94 -1.26 -1.19 119.30 116.43 3k0f s MET 458 Ca -0.08 0.30 -0.05 0.00 -1.71 0.00 0.00 55.69 54.15 3k0f s MET 458 Cb -0.04 -0.99 0.33 0.00 2.01 0.00 0.00 34.83 36.14 3k0f s MET 458 CO 0.02 -0.64 1.88 0.00 -0.01 0.00 0.00 175.02 176.28 3k0f h ARG 459 N 8.28 1.09 0.00 2.03 3.08 -1.88 -3.32 114.38 123.66 3k0f h ARG 459 Ca -0.17 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 59.74 3k0f h ARG 459 Cb 1.15 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 3k0f h ARG 459 CO 0.27 0.72 -2.02 0.41 -1.07 0.00 0.00 179.97 178.28 3k0f n GLY 460 N -1.35 -0.95 1.68 0.04 0.00 -1.26 -5.02 105.19 98.33 3k0f n GLY 460 Ca 0.13 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 3k0f n GLY 460 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3k0f n SER 461 N -2.32 0.97 -0.07 1.61 2.88 -1.25 -5.07 113.62 110.37 3k0f n SER 461 Ca -0.09 -1.67 -0.14 0.00 -1.33 0.00 0.00 58.87 55.64 3k0f n SER 461 Cb 0.66 -0.17 -0.14 0.00 -0.75 0.00 0.00 64.21 63.81 3k0f n SER 461 CO 0.00 0.00 0.00 1.87 -1.23 0.00 0.00 175.04 175.68 3k0f n TRP 462 N -1.51 0.48 -1.02 0.66 -0.00 -1.26 -4.85 117.44 109.94 3k0f n TRP 462 Ca 0.07 0.14 0.00 0.00 -0.00 0.00 0.00 57.50 57.70 3k0f n TRP 462 Cb 0.26 -1.08 0.00 0.00 -0.00 0.00 0.00 31.31 30.49 3k0f n TRP 462 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 177.69 175.30 3k0f n HIS 463 N -3.08 -0.13 -2.27 5.87 1.44 -1.25 -4.82 115.22 110.99 3k0f n HIS 463 Ca -0.32 0.07 -0.42 0.00 -2.01 0.00 0.00 57.72 55.04 3k0f n HIS 463 Cb 1.07 -0.45 -0.03 0.00 0.12 0.00 0.00 29.99 30.71 3k0f n HIS 463 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3k0f s ASP 464 N -3.31 6.87 0.00 4.39 2.15 1.10 -4.91 116.67 122.95 3k0f s ASP 464 Ca 0.00 1.98 0.16 0.00 0.43 0.00 0.00 52.55 55.12 3k0f s ASP 464 Cb 0.00 -2.55 0.95 0.00 -0.30 0.00 0.00 42.92 41.02 3k0f s ASP 464 CO 0.00 -0.75 1.58 0.29 -0.17 0.00 0.00 175.17 176.11 3k0f n LYS 465 N 6.05 0.95 -2.94 4.34 4.76 -1.26 -4.25 118.16 125.81 3k0f n LYS 465 Ca 0.14 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.23 3k0f n LYS 465 Cb 0.44 -1.26 -0.06 0.00 -1.84 0.00 0.00 35.03 32.31 3k0f n LYS 465 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3k0f s ALA 466 N -2.00 3.25 -0.72 7.82 0.00 -1.26 -4.99 121.76 123.85 3k0f s ALA 466 Ca 0.24 0.31 -0.13 0.00 0.00 0.00 0.00 51.96 52.38 3k0f s ALA 466 Cb 0.11 -3.00 0.19 0.00 0.00 0.00 0.00 23.12 20.41 3k0f s ALA 466 CO 0.18 0.24 0.65 0.42 0.00 0.00 0.00 175.76 177.25 3k0f s ILE 467 N -1.78 5.29 0.48 0.00 1.01 -1.26 -4.50 121.20 120.44 3k0f s ILE 467 Ca 0.52 -2.22 -0.09 0.00 0.00 0.00 0.00 60.65 58.86 3k0f s ILE 467 Cb -0.14 -4.32 -0.05 0.00 0.01 0.00 0.00 42.46 37.96 3k0f s ILE 467 CO 0.19 -0.96 0.84 -0.13 0.00 0.00 0.00 174.94 174.88 3k0f s ARG 468 N 0.59 3.66 0.26 2.79 0.52 -0.56 -3.77 118.95 122.44 3k0f s ARG 468 Ca 0.13 0.45 0.06 0.00 -0.52 0.00 0.00 55.73 55.84 3k0f s ARG 468 Cb -0.17 -2.31 -0.03 0.00 0.52 0.00 0.00 34.95 32.97 3k0f s ARG 468 CO -0.05 -0.22 0.37 -1.83 0.02 0.00 0.00 175.30 173.59 3k0f s GLU 469 N -4.47 3.32 -0.21 3.54 -1.05 0.56 0.95 118.70 121.34 3k0f s GLU 469 Ca 0.51 -0.85 -0.27 0.00 -0.15 0.00 0.00 54.97 54.21 3k0f s GLU 469 Cb -0.10 -2.84 0.09 0.00 -0.44 0.00 0.00 34.13 30.83 3k0f s GLU 469 CO 0.41 0.34 0.82 -0.59 0.95 0.00 0.00 175.26 177.18 3k0f s PHE 470 N -2.04 -0.64 0.45 4.83 -0.12 -1.21 0.17 117.98 119.43 3k0f s PHE 470 Ca 0.37 1.41 0.08 0.00 -0.05 0.00 0.00 56.93 58.74 3k0f s PHE 470 Cb -0.09 0.34 0.02 0.00 -0.63 0.00 0.00 43.02 42.66 3k0f s PHE 470 CO 0.29 -0.39 0.56 0.00 -0.05 0.00 0.00 175.22 175.63 3k0f s MET 471 N -0.19 2.66 -0.06 1.99 0.23 -1.16 -4.00 119.30 118.77 3k0f s MET 471 Ca -0.02 -1.40 -0.01 0.00 -1.03 0.00 0.00 55.69 53.23 3k0f s MET 471 Cb -0.03 -2.64 0.03 0.00 -1.53 0.00 0.00 34.83 30.66 3k0f s MET 471 CO 0.01 -0.36 0.01 0.42 -2.03 0.00 0.00 175.02 173.07 3k0f s ILE 472 N -2.44 0.25 0.00 3.16 1.01 -1.26 -2.37 121.20 119.55 3k0f s ILE 472 Ca 0.54 0.17 0.00 0.00 0.00 0.00 0.00 60.65 61.36 3k0f s ILE 472 Cb -0.08 -0.42 0.00 0.00 0.01 0.00 0.00 42.46 41.97 3k0f s ILE 472 CO 0.32 0.23 0.00 -1.54 0.00 0.00 0.00 174.94 173.95 3k0f n SER 473 N 5.01 1.11 0.10 3.58 3.41 -0.23 -4.96 113.62 121.64 3k0f n SER 473 Ca -0.09 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.47 3k0f n SER 473 Cb 0.50 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.49 3k0f n SER 473 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3k0f h ASP 474 N 0.00 0.04 1.17 4.04 3.32 -1.91 -3.08 116.42 120.00 3k0f h ASP 474 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3k0f h ASP 474 Cb 0.00 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3k0f h ASP 474 CO 0.00 0.81 0.00 0.11 -1.72 0.00 0.00 179.24 178.44 3k0f h LYS 475 N 0.02 0.00 0.00 3.56 1.57 -1.83 -2.75 116.57 117.14 3k0f h LYS 475 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3k0f h LYS 475 Cb 1.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.71 3k0f h LYS 475 CO 0.11 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.40 3k0f n GLY 476 N 0.33 0.13 3.47 3.86 0.00 -1.16 -4.85 105.19 106.97 3k0f n GLY 476 Ca 0.02 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 3k0f n GLY 476 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k0f s PRO 477 N 0.00 3.21 -0.73 1.61 0.04 -1.26 -1.06 135.00 136.81 3k0f s PRO 477 Ca 0.00 -0.83 -0.17 0.00 0.04 0.00 0.00 61.00 60.03 3k0f s PRO 477 Cb 0.00 -3.81 0.14 0.00 0.04 0.00 0.00 34.50 30.88 3k0f s PRO 477 CO 0.00 -0.57 0.81 0.34 0.04 0.00 0.00 177.00 177.62 3k0f s ASP 478 N 1.67 6.45 -0.07 6.66 2.15 -1.00 -4.97 116.67 127.56 3k0f s ASP 478 Ca 0.05 -1.94 -0.30 0.00 0.43 0.00 0.00 52.55 50.79 3k0f s ASP 478 Cb -0.18 -2.30 -0.05 0.00 -0.30 0.00 0.00 42.92 40.10 3k0f s ASP 478 CO 0.09 -0.94 1.56 -0.63 -0.17 0.00 0.00 175.17 175.08 3k0f s ILE 479 N 1.94 3.72 0.00 4.11 1.01 -1.26 -3.01 121.20 127.71 3k0f s ILE 479 Ca 0.18 0.89 0.00 0.00 0.00 0.00 0.00 60.65 61.72 3k0f s ILE 479 Cb -0.16 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.73 3k0f s ILE 479 CO -0.02 -0.07 0.00 0.29 0.00 0.00 0.00 174.94 175.14 3k0f n LYS 480 N 6.89 1.21 -1.46 2.79 5.02 0.13 -4.99 118.16 127.75 3k0f n LYS 480 Ca 0.16 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.41 3k0f n LYS 480 Cb 0.43 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.45 3k0f n LYS 480 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3k0f n ASP 481 N 0.00 0.54 -4.95 4.39 8.00 -1.26 -4.52 116.55 118.75 3k0f n ASP 481 Ca 0.00 -1.31 -0.24 0.00 0.71 0.00 0.00 54.79 53.95 3k0f n ASP 481 Cb 0.00 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.00 3k0f n ASP 481 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3k0f s SER 482 N -1.68 6.33 -1.13 -2.24 1.04 -1.26 0.21 113.70 114.97 3k0f s SER 482 Ca 0.11 0.16 -0.13 0.00 0.48 0.00 0.00 55.95 56.57 3k0f s SER 482 Cb -0.01 -1.90 0.20 0.00 0.10 0.00 0.00 66.02 64.40 3k0f s SER 482 CO 0.07 -0.02 1.28 -0.36 0.98 0.00 0.00 173.24 175.19 3k0f s PHE 483 N -1.87 3.66 0.15 5.02 0.40 -1.25 -4.84 117.98 119.25 3k0f s PHE 483 Ca 0.35 -2.17 0.30 0.00 -0.60 0.00 0.00 56.93 54.81 3k0f s PHE 483 Cb -0.10 -4.16 1.25 0.00 0.51 0.00 0.00 43.02 40.52 3k0f s PHE 483 CO 0.29 -1.27 1.95 -0.09 0.70 0.00 0.00 175.22 176.80 3k0f h ARG 484 N 7.28 0.00 -0.83 0.44 2.43 -1.95 -3.24 114.38 118.51 3k0f h ARG 484 Ca 0.25 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.90 3k0f h ARG 484 Cb 0.90 0.00 -0.28 0.00 -0.42 0.00 0.00 29.97 30.17 3k0f h ARG 484 CO 1.14 0.08 0.34 0.27 -1.51 0.00 0.00 179.97 180.29 3k0f n ASN 485 N -3.23 5.30 -4.26 -3.80 6.94 -1.26 -4.98 115.26 109.97 3k0f n ASN 485 Ca 0.00 -3.75 -0.22 0.00 -0.02 0.00 0.00 54.58 50.59 3k0f n ASN 485 Cb 0.34 -0.77 -0.09 0.00 -2.36 0.00 0.00 39.78 36.89 3k0f n ASN 485 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 3k0f s PHE 486 N -3.56 1.80 0.02 -2.53 0.40 -1.23 -2.12 117.98 110.76 3k0f s PHE 486 Ca 0.57 -1.16 0.00 0.00 -0.60 0.00 0.00 56.93 55.74 3k0f s PHE 486 Cb 0.47 -1.14 -0.02 0.00 0.51 0.00 0.00 43.02 42.84 3k0f s PHE 486 CO 0.03 -0.21 -0.04 -1.21 0.70 0.00 0.00 175.22 174.49 3k0f s GLU 487 N -3.84 0.34 -0.88 0.44 2.02 -0.99 -4.92 118.70 110.87 3k0f s GLU 487 Ca 0.32 -0.61 -0.05 0.00 0.02 0.00 0.00 54.97 54.65 3k0f s GLU 487 Cb 0.06 0.01 -0.01 0.00 0.10 0.00 0.00 34.13 34.29 3k0f s GLU 487 CO 0.15 -0.02 0.74 0.54 0.02 0.00 0.00 175.26 176.68 3k0f n ARG 488 N 1.66 -1.50 0.00 1.61 1.74 -1.26 -0.42 116.66 118.49 3k0f n ARG 488 Ca -0.23 1.08 -0.22 0.00 -0.77 0.00 0.00 57.85 57.71 3k0f n ARG 488 Cb 0.55 -4.89 -0.14 0.00 -1.02 0.00 0.00 32.46 26.96 3k0f n ARG 488 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3k0f h ILE 489 N -0.35 0.72 0.00 0.55 2.04 -1.91 -2.95 117.51 115.61 3k0f h ILE 489 Ca -0.33 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.18 3k0f h ILE 489 Cb 1.19 2.53 0.00 0.00 -0.74 0.00 0.00 36.82 39.79 3k0f h ILE 489 CO 0.37 0.82 0.23 0.40 0.00 0.00 0.00 178.15 179.97 3k0f h ILE 490 N -0.07 0.00 -0.01 -0.67 1.08 -1.96 -0.65 117.51 115.23 3k0f h ILE 490 Ca -0.40 0.00 -0.19 0.00 -0.39 0.00 0.00 64.86 63.88 3k0f h ILE 490 Cb 1.95 0.75 -0.01 0.00 -3.07 0.00 0.00 36.82 36.43 3k0f h ILE 490 CO 0.07 0.00 -0.83 0.77 -0.69 0.00 0.00 178.15 177.47 3k0f h SER 491 N 0.00 0.28 0.00 1.72 4.64 -1.95 -3.38 113.55 114.86 3k0f h SER 491 Ca 0.00 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3k0f h SER 491 Cb 0.47 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3k0f h SER 491 CO 0.00 0.99 0.00 0.61 -0.87 0.00 0.00 176.83 177.56 3k0f n GLY 492 N 0.77 1.99 2.53 -0.77 0.00 -0.25 -2.03 105.19 107.42 3k0f n GLY 492 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 3k0f n GLY 492 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3k0f n SER 493 N 0.00 1.16 -3.21 1.61 7.64 -1.26 0.41 113.62 119.97 3k0f n SER 493 Ca 0.00 -2.80 -0.16 0.00 1.01 0.00 0.00 58.87 56.93 3k0f n SER 493 Cb 0.00 -0.64 0.15 0.00 -1.01 0.00 0.00 64.21 62.71 3k0f n SER 493 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3k0f n PRO 494 N 2.15 -2.72 -3.57 1.43 -0.02 -1.11 -4.87 135.00 126.29 3k0f n PRO 494 Ca 0.26 -0.75 -0.29 0.00 -2.02 0.00 0.00 63.50 60.69 3k0f n PRO 494 Cb 0.44 -1.11 -0.15 0.00 -0.02 0.00 0.00 33.50 32.66 3k0f n PRO 494 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3k0f s THR 495 N -1.62 0.09 0.19 3.45 2.01 0.44 -4.92 115.64 115.27 3k0f s THR 495 Ca 0.35 -0.87 -0.33 0.00 0.31 0.00 0.00 61.69 61.14 3k0f s THR 495 Cb -0.06 -1.09 -0.14 0.00 0.01 0.00 0.00 72.50 71.22 3k0f s THR 495 CO 0.29 -0.72 1.52 0.54 -0.69 0.00 0.00 174.62 175.56 3k0f n ARG 496 N 5.18 2.11 -2.75 4.92 1.74 -1.26 -2.35 116.66 124.24 3k0f n ARG 496 Ca -0.05 0.76 -0.02 0.00 -0.77 0.00 0.00 57.85 57.76 3k0f n ARG 496 Cb 0.42 -2.49 0.08 0.00 -1.02 0.00 0.00 32.46 29.45 3k0f n ARG 496 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 3k0f n ILE 497 N 2.89 0.67 0.45 0.55 -6.64 -0.90 -4.96 119.36 111.43 3k0f n ILE 497 Ca 0.15 -2.11 -0.18 0.00 -1.77 0.00 0.00 62.75 58.85 3k0f n ILE 497 Cb 0.30 1.11 -0.08 0.00 -1.44 0.00 0.00 39.64 39.52 3k0f n ILE 497 CO 0.00 0.00 0.00 0.71 -1.77 0.00 0.00 176.55 175.49 3k0f h THR 498 N 4.47 0.00 -5.58 7.28 1.35 -1.92 -3.46 112.91 115.06 3k0f h THR 498 Ca -0.26 -0.07 -0.14 0.00 -0.55 0.00 0.00 66.41 65.38 3k0f h THR 498 Cb 1.27 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 67.69 3k0f h THR 498 CO 0.05 0.00 -0.31 0.52 -0.25 0.00 0.00 175.52 175.53 3k0f n VAL 499 N -5.33 -0.89 -1.53 6.82 0.31 -1.26 -3.41 118.33 113.04 3k0f n VAL 499 Ca -0.14 -0.01 -0.00 0.00 -0.01 0.00 0.00 64.34 64.18 3k0f n VAL 499 Cb 0.46 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 3k0f n VAL 499 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3k0f n ASP 500 N -0.36 -2.14 -1.06 4.52 -0.08 -1.26 -5.08 116.55 111.08 3k0f n ASP 500 Ca -0.09 0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.22 3k0f n ASP 500 Cb 0.19 -1.10 0.00 0.00 2.34 0.00 0.00 41.12 42.55 3k0f n ASP 500 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3k0f n GLU 501 N -0.19 3.14 -2.29 -0.67 1.02 -1.22 -4.78 120.64 115.65 3k0f n GLU 501 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.72 3k0f n GLU 501 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.43 3k0f n GLU 501 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3k0f n LYS 502 N 0.00 3.39 0.00 3.49 3.00 -1.26 -4.01 118.16 122.77 3k0f n LYS 502 Ca 0.00 -3.34 0.00 0.00 -0.00 0.00 0.00 58.31 54.97 3k0f n LYS 502 Cb 0.00 -3.05 0.00 0.00 0.00 0.00 0.00 35.03 31.98 3k0f n LYS 502 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3k0f n SER 503 N 4.85 0.00 -1.44 3.14 3.41 -1.26 -5.16 113.62 117.15 3k0f n SER 503 Ca 0.43 -1.00 0.18 0.00 -0.26 0.00 0.00 58.87 58.21 3k0f n SER 503 Cb 0.38 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.24 3k0f n SER 503 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3k0f n GLU 504 N 0.00 -3.30 0.08 4.33 1.02 -1.26 -4.05 120.64 117.46 3k0f n GLU 504 Ca 0.00 2.67 0.06 0.00 -0.02 0.00 0.00 57.16 59.87 3k0f n GLU 504 Cb 0.30 -3.87 0.32 0.00 -0.02 0.00 0.00 31.44 28.16 3k0f n GLU 504 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3k0f n LEU 505 N -4.33 0.29 -2.97 -4.62 7.94 -1.26 -3.17 117.00 108.88 3k0f n LEU 505 Ca -0.09 0.62 -0.32 0.00 -1.11 0.00 0.00 56.01 55.12 3k0f n LEU 505 Cb 0.68 -0.64 -0.06 0.00 0.53 0.00 0.00 43.42 43.94 3k0f n LEU 505 CO 0.04 -0.67 2.50 -1.54 -1.11 0.00 0.00 177.39 176.61 3k0f n SER 506 N -1.88 7.53 0.05 1.96 3.41 -1.26 -4.18 113.62 119.25 3k0f n SER 506 Ca -0.00 -2.81 0.12 0.00 -0.26 0.00 0.00 58.87 55.92 3k0f n SER 506 Cb 0.05 -1.43 0.15 0.00 -0.26 0.00 0.00 64.21 62.72 3k0f n SER 506 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3k0f n ARG 507 N 2.44 0.26 -0.60 4.33 -4.01 -1.19 -2.81 116.66 115.07 3k0f n ARG 507 Ca 0.63 0.06 0.08 0.00 -1.04 0.00 0.00 57.85 57.57 3k0f n ARG 507 Cb 0.42 -1.64 0.31 0.00 -3.04 0.00 0.00 32.46 28.51 3k0f n ARG 507 CO 0.00 0.00 0.00 0.44 -3.04 0.00 0.00 177.63 175.03 3k0f n ILE 508 N -2.01 2.26 -2.74 8.89 -0.00 -1.26 -4.97 119.36 119.53 3k0f n ILE 508 Ca 0.03 -1.54 -0.11 0.00 -0.00 0.00 0.00 62.75 61.13 3k0f n ILE 508 Cb 0.43 -0.13 -0.03 0.00 -0.00 0.00 0.00 39.64 39.91 3k0f n ILE 508 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07 3k0f n VAL 509 N 0.22 -0.16 0.00 7.28 0.31 -1.13 -4.07 118.33 120.78 3k0f n VAL 509 Ca 0.23 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 3k0f n VAL 509 Cb 0.95 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 33.65 3k0f n VAL 509 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3k0f n ARG 510 N -1.83 0.00 0.00 5.55 5.12 -1.26 -3.84 116.66 120.40 3k0f n ARG 510 Ca -0.04 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.88 3k0f n ARG 510 Cb 0.17 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.47 3k0f n ARG 510 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3k0f n GLY 511 N 0.00 0.10 0.30 -0.13 0.00 -1.26 -4.95 105.19 99.25 3k0f n GLY 511 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 3k0f n GLY 511 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3k0f h VAL 512 N 0.00 0.59 -1.50 1.61 -1.51 -1.94 -2.95 116.25 110.54 3k0f h VAL 512 Ca 0.00 0.00 -0.75 0.00 -1.23 0.00 0.00 66.70 64.72 3k0f h VAL 512 Cb 0.00 0.96 -0.15 0.00 -2.13 0.00 0.00 31.29 29.96 3k0f h VAL 512 CO 0.00 0.00 1.91 1.67 -1.23 0.00 0.00 177.57 179.92 3k0f n GLN 513 N -3.96 3.50 0.00 5.19 -0.06 -1.26 -4.18 117.38 116.61 3k0f n GLN 513 Ca -0.02 -3.56 0.00 0.00 -2.00 0.00 0.00 57.00 51.43 3k0f n GLN 513 Cb 0.15 -2.99 0.00 0.00 -4.06 0.00 0.00 30.24 23.34 3k0f n GLN 513 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 3k0f n GLU 514 N 4.60 0.57 -3.71 3.69 4.07 -1.12 -4.97 120.64 123.78 3k0f n GLU 514 Ca 0.40 -0.62 -0.27 0.00 -0.06 0.00 0.00 57.16 56.61 3k0f n GLU 514 Cb 0.38 -0.68 -0.17 0.00 -0.06 0.00 0.00 31.44 30.92 3k0f n GLU 514 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 3k0f s LYS 515 N -0.23 0.49 0.00 5.31 3.01 -1.26 -4.82 119.74 122.24 3k0f s LYS 515 Ca 0.00 -0.30 0.00 0.00 -1.01 0.00 0.00 55.97 54.66 3k0f s LYS 515 Cb 0.00 -1.96 0.00 0.00 -1.01 0.00 0.00 37.83 34.86 3k0f s LYS 515 CO 0.00 -0.63 0.00 0.41 0.51 0.00 0.00 175.35 175.64 3k0f n GLY 516 N 5.12 -1.09 3.71 -3.33 0.00 -1.26 -5.10 105.19 103.24 3k0f n GLY 516 Ca -0.08 0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.96 3k0f n GLY 516 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3k0f s PRO 517 N 0.00 4.35 0.00 1.61 0.02 -1.26 -5.05 135.00 134.67 3k0f s PRO 517 Ca 0.00 0.57 0.00 0.00 0.02 0.00 0.00 61.00 61.59 3k0f s PRO 517 Cb 0.00 -3.45 0.00 0.00 0.02 0.00 0.00 34.50 31.07 3k0f s PRO 517 CO 0.00 0.10 0.00 -0.85 -0.33 0.00 0.00 177.00 175.92 3k0f n GLU 518 N 3.83 1.97 0.00 5.54 -0.00 -1.26 -5.07 120.64 125.65 3k0f n GLU 518 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.11 3k0f n GLU 518 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.95 3k0f n GLU 518 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58