#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1njb n LEU 2 N 0.00 -0.36 0.00 -0.89 0.00 -1.26 -1.98 117.00 112.51 1njb n LEU 2 Ca 0.00 1.02 0.11 0.00 0.00 0.00 0.00 56.01 57.14 1njb n LEU 2 Cb 0.00 -0.28 0.63 0.00 0.00 0.00 0.00 43.42 43.77 1njb n LEU 2 CO 0.00 -0.70 0.87 -1.84 0.00 0.00 0.00 177.39 175.71 1njb n GLU 3 N -3.75 0.55 -0.31 1.96 0.28 -1.26 -4.17 120.64 113.94 1njb n GLU 3 Ca 0.01 0.03 0.14 0.00 -0.16 0.00 0.00 57.16 57.18 1njb n GLU 3 Cb 0.09 -1.50 0.37 0.00 1.43 0.00 0.00 31.44 31.83 1njb n GLU 3 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 1njb h GLN 4 N 0.00 0.66 -0.99 3.44 1.08 -1.84 0.19 115.11 117.65 1njb h GLN 4 Ca 0.00 -0.04 0.16 0.00 -1.45 0.00 0.00 58.65 57.32 1njb h GLN 4 Cb 0.09 -0.15 -0.10 0.00 -0.05 0.00 0.00 27.48 27.27 1njb h GLN 4 CO 0.00 0.44 0.61 -1.35 -0.95 0.00 0.00 178.83 177.58 1njb h PRO 5 N 0.68 0.82 -0.12 1.46 0.11 -1.81 0.02 132.00 133.16 1njb h PRO 5 Ca 0.52 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.56 1njb h PRO 5 Cb 0.91 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.84 1njb h PRO 5 CO -0.29 0.54 -0.03 -0.92 -0.21 0.00 0.00 178.00 177.09 1njb h TYR 6 N 0.84 0.26 -0.40 0.65 3.20 -0.93 -2.19 116.97 118.39 1njb h TYR 6 Ca 0.54 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 62.33 1njb h TYR 6 Cb 0.73 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 1njb h TYR 6 CO -0.01 0.53 0.15 -0.07 -1.64 0.00 0.00 178.16 177.12 1njb h LEU 7 N -0.09 0.51 -1.37 2.82 3.38 -1.19 -1.83 115.31 117.55 1njb h LEU 7 Ca 0.03 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1njb h LEU 7 Cb 0.45 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1njb h LEU 7 CO 0.01 0.48 -0.14 0.44 0.09 0.00 0.00 178.44 179.32 1njb h ASP 8 N 0.57 0.00 -0.13 -0.43 3.32 -0.83 -2.04 116.42 116.88 1njb h ASP 8 Ca 0.14 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 1njb h ASP 8 Cb 0.13 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1njb h ASP 8 CO -0.01 0.14 -0.06 0.25 -1.72 0.00 0.00 179.24 177.84 1njb h LEU 9 N 0.00 0.28 -0.90 1.55 6.46 -0.69 -2.14 115.31 119.87 1njb h LEU 9 Ca -0.00 -0.41 -0.08 0.00 -0.12 0.00 0.00 57.88 57.28 1njb h LEU 9 Cb 0.60 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.44 1njb h LEU 9 CO 0.02 0.62 -0.02 0.00 -0.62 0.00 0.00 178.44 178.44 1njb h ALA 10 N 0.67 1.08 0.05 1.25 0.00 -1.27 -1.07 119.26 119.97 1njb h ALA 10 Ca 0.03 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1njb h ALA 10 Cb 0.51 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1njb h ALA 10 CO 0.02 0.58 -0.02 0.87 0.00 0.00 0.00 179.25 180.69 1njb h LYS 11 N 0.73 -0.06 -0.97 0.00 6.56 -1.38 -2.34 116.57 119.10 1njb h LYS 11 Ca 0.14 0.00 0.17 0.00 -1.06 0.00 0.00 60.65 59.90 1njb h LYS 11 Cb 0.48 0.01 -0.09 0.00 -0.57 0.00 0.00 32.23 32.06 1njb h LYS 11 CO 0.02 0.20 0.61 -0.22 -2.06 0.00 0.00 179.45 178.01 1njb h LYS 12 N -0.33 0.72 0.00 3.15 3.64 -1.08 0.34 116.57 123.01 1njb h LYS 12 Ca -0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1njb h LYS 12 Cb 0.30 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1njb h LYS 12 CO 0.01 0.48 0.00 0.28 -2.27 0.00 0.00 179.45 177.95 1njb h VAL 13 N 0.74 0.00 0.00 2.00 2.07 -1.06 -2.79 116.25 117.21 1njb h VAL 13 Ca 0.52 -0.55 -0.25 0.00 0.82 0.00 0.00 66.70 67.24 1njb h VAL 13 Cb 0.83 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 1njb h VAL 13 CO -0.29 0.00 -1.67 -0.11 0.02 0.00 0.00 177.57 175.53 1njb n LEU 14 N -2.52 1.92 -2.11 2.57 0.00 0.86 -3.16 117.00 114.55 1njb n LEU 14 Ca 0.04 0.39 -0.20 0.00 0.00 0.00 0.00 56.01 56.25 1njb n LEU 14 Cb 0.40 -0.84 0.19 0.00 0.00 0.00 0.00 43.42 43.17 1njb n LEU 14 CO 0.29 0.19 1.19 -0.90 0.00 0.00 0.00 177.39 178.16 1njb n ASP 15 N -4.38 3.86 0.00 1.96 5.75 0.69 -4.16 116.55 120.27 1njb n ASP 15 Ca -0.35 -3.43 0.00 0.00 -0.01 0.00 0.00 54.79 51.00 1njb n ASP 15 Cb 0.68 -0.80 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 1njb n ASP 15 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1njb n GLU 16 N -0.88 0.00 0.00 0.11 2.13 -1.06 -4.95 120.64 115.99 1njb n GLU 16 Ca 0.53 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.35 1njb n GLU 16 Cb 1.55 0.00 0.00 0.00 0.27 0.00 0.00 31.44 33.26 1njb n GLU 16 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1njb n GLY 17 N 0.00 -0.80 3.64 8.31 0.00 -1.17 -4.87 105.19 110.30 1njb n GLY 17 Ca 0.00 -1.34 -0.04 0.00 0.00 0.00 0.00 46.02 44.64 1njb n GLY 17 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1njb s HIS 18 N 0.00 -0.77 0.39 1.61 3.76 -0.89 -4.87 115.29 114.52 1njb s HIS 18 Ca 0.00 1.54 -0.23 0.00 -0.15 0.00 0.00 55.06 56.21 1njb s HIS 18 Cb 0.00 0.46 -0.10 0.00 1.11 0.00 0.00 32.58 34.05 1njb s HIS 18 CO 0.00 -0.38 0.97 0.12 -0.85 0.00 0.00 174.74 174.60 1njb s PHE 19 N 1.46 3.42 -0.05 1.40 2.19 -1.26 0.78 117.98 125.91 1njb s PHE 19 Ca -0.09 1.68 -0.31 0.00 0.33 0.00 0.00 56.93 58.53 1njb s PHE 19 Cb -0.04 -2.95 0.07 0.00 -1.31 0.00 0.00 43.02 38.79 1njb s PHE 19 CO -0.17 -0.15 0.69 0.21 1.83 0.00 0.00 175.22 177.63 1njb s LYS 20 N -2.64 1.04 0.85 10.12 2.20 -0.72 -4.89 119.74 125.70 1njb s LYS 20 Ca 0.57 0.25 -0.09 0.00 -0.36 0.00 0.00 55.97 56.34 1njb s LYS 20 Cb -0.16 0.49 0.16 0.00 -1.51 0.00 0.00 37.83 36.82 1njb s LYS 20 CO 0.20 -0.33 1.17 -1.25 -0.36 0.00 0.00 175.35 174.79 1njb s PRO 21 N -1.20 1.16 0.31 4.03 0.04 -1.26 -2.90 135.00 135.18 1njb s PRO 21 Ca -0.11 -0.69 -0.18 0.00 0.04 0.00 0.00 61.00 60.06 1njb s PRO 21 Cb -0.00 -2.06 0.06 0.00 0.04 0.00 0.00 34.50 32.53 1njb s PRO 21 CO 0.10 -1.95 0.86 0.16 0.04 0.00 0.00 177.00 176.21 1njb s ASP 22 N -4.81 -0.03 0.00 6.66 -4.77 -1.26 -4.92 116.67 107.54 1njb s ASP 22 Ca 0.70 -0.93 0.00 0.00 -3.30 0.00 0.00 52.55 49.02 1njb s ASP 22 Cb -0.05 0.73 0.00 0.00 -1.09 0.00 0.00 42.92 42.51 1njb s ASP 22 CO 0.49 -1.43 0.98 -2.11 0.70 0.00 0.00 175.17 173.81 1njb n ARG 23 N -0.57 0.00 -2.10 2.11 1.85 -1.26 -4.35 116.66 112.34 1njb n ARG 23 Ca -0.06 0.70 -0.37 0.00 -1.00 0.00 0.00 57.85 57.12 1njb n ARG 23 Cb 0.60 -1.48 0.01 0.00 -1.05 0.00 0.00 32.46 30.53 1njb n ARG 23 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 1njb s THR 24 N -2.94 2.77 -1.03 8.89 -1.32 -1.26 -4.92 115.64 115.84 1njb s THR 24 Ca 0.00 0.56 -0.04 0.00 -1.21 0.00 0.00 61.69 61.00 1njb s THR 24 Cb 0.00 -3.28 0.29 0.00 -1.51 0.00 0.00 72.50 68.00 1njb s THR 24 CO 0.00 -0.02 1.23 1.41 -2.21 0.00 0.00 174.62 175.03 1njb n HIS 25 N -0.80 3.44 -0.01 9.09 8.25 -1.26 -4.50 115.22 129.43 1njb n HIS 25 Ca 0.09 -3.28 -0.05 0.00 -0.26 0.00 0.00 57.72 54.22 1njb n HIS 25 Cb 0.48 -1.29 -0.02 0.00 1.12 0.00 0.00 29.99 30.28 1njb n HIS 25 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1njb n THR 26 N 1.75 0.69 0.00 1.59 -1.04 -1.26 -4.96 114.28 111.05 1njb n THR 26 Ca 0.25 0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.34 1njb n THR 26 Cb 0.36 -1.64 0.00 0.00 -1.82 0.00 0.00 70.33 67.22 1njb n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1njb n GLY 27 N 2.79 3.42 3.42 3.41 0.00 -1.26 -4.73 105.19 112.24 1njb n GLY 27 Ca -0.08 -1.90 -0.11 0.00 0.00 0.00 0.00 46.02 43.93 1njb n GLY 27 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1njb s THR 28 N -2.80 0.02 -0.15 2.61 -4.23 -1.14 -0.98 115.64 108.97 1njb s THR 28 Ca 0.00 -0.29 -0.03 0.00 -1.18 0.00 0.00 61.69 60.19 1njb s THR 28 Cb 0.00 -1.16 -0.02 0.00 1.34 0.00 0.00 72.50 72.66 1njb s THR 28 CO 0.00 -0.10 -0.06 -0.31 -0.54 0.00 0.00 174.62 173.61 1njb s TYR 29 N -3.79 2.97 0.08 3.99 2.02 -0.77 -1.76 117.35 120.09 1njb s TYR 29 Ca 0.03 -0.38 -0.00 0.00 -0.37 0.00 0.00 57.07 56.35 1njb s TYR 29 Cb -0.00 -1.92 -0.04 0.00 -0.40 0.00 0.00 41.96 39.59 1njb s TYR 29 CO -0.11 -0.07 -0.03 0.45 -1.57 0.00 0.00 175.55 174.22 1njb s SER 30 N 0.32 0.68 0.11 2.29 0.15 0.23 -1.66 113.70 115.83 1njb s SER 30 Ca -0.06 -1.03 -0.03 0.00 0.70 0.00 0.00 55.95 55.53 1njb s SER 30 Cb -0.15 0.18 -0.03 0.00 -1.71 0.00 0.00 66.02 64.31 1njb s SER 30 CO 0.04 -0.58 0.09 0.27 1.20 0.00 0.00 173.24 174.26 1njb s ILE 31 N -3.84 0.13 -0.08 6.45 -4.36 -0.98 -2.10 121.20 116.43 1njb s ILE 31 Ca 0.11 -1.71 0.01 0.00 -0.26 0.00 0.00 60.65 58.80 1njb s ILE 31 Cb 0.07 -1.79 0.02 0.00 1.25 0.00 0.00 42.46 42.01 1njb s ILE 31 CO -0.07 -0.60 -0.10 0.12 0.24 0.00 0.00 174.94 174.53 1njb s PHE 32 N -3.98 1.37 0.00 1.37 5.36 -1.26 -2.11 117.98 118.73 1njb s PHE 32 Ca 0.16 -0.55 0.00 0.00 -0.96 0.00 0.00 56.93 55.58 1njb s PHE 32 Cb 0.07 -1.06 0.00 0.00 -0.34 0.00 0.00 43.02 41.68 1njb s PHE 32 CO -0.03 -0.33 0.00 0.41 -1.46 0.00 0.00 175.22 173.81 1njb n GLY 33 N 4.15 -2.94 3.62 13.12 0.00 0.75 -5.00 105.19 118.89 1njb n GLY 33 Ca -0.20 -0.76 -0.03 0.00 0.00 0.00 0.00 46.02 45.02 1njb n GLY 33 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1njb s HIS 34 N 0.00 -0.71 0.02 1.61 5.04 -0.70 -4.94 115.29 115.62 1njb s HIS 34 Ca 0.00 1.40 0.06 0.00 -1.54 0.00 0.00 55.06 54.97 1njb s HIS 34 Cb 0.00 0.43 -0.03 0.00 0.04 0.00 0.00 32.58 33.02 1njb s HIS 34 CO 0.00 -0.35 -0.14 -1.14 -2.34 0.00 0.00 174.74 170.76 1njb s GLN 35 N 1.57 2.25 -0.00 2.88 0.74 -1.26 0.23 119.66 126.07 1njb s GLN 35 Ca -0.08 -0.88 -0.02 0.00 0.05 0.00 0.00 55.36 54.42 1njb s GLN 35 Cb -0.04 -2.30 -0.00 0.00 1.10 0.00 0.00 33.01 31.76 1njb s GLN 35 CO -0.16 0.56 0.04 1.41 -0.55 0.00 0.00 175.29 176.59 1njb s MET 36 N -1.39 0.23 -0.09 1.67 -2.45 0.77 -4.99 119.30 113.05 1njb s MET 36 Ca 0.15 -0.27 -0.02 0.00 -1.25 0.00 0.00 55.69 54.30 1njb s MET 36 Cb -0.11 0.09 0.04 0.00 1.25 0.00 0.00 34.83 36.10 1njb s MET 36 CO 0.06 -0.04 0.04 0.50 1.05 0.00 0.00 175.02 176.62 1njb s ARG 37 N -0.79 0.30 -0.06 4.11 3.52 -1.26 -0.65 118.95 124.12 1njb s ARG 37 Ca -0.09 0.10 -0.01 0.00 -0.13 0.00 0.00 55.73 55.59 1njb s ARG 37 Cb -0.05 -1.11 -0.04 0.00 -1.56 0.00 0.00 34.95 32.19 1njb s ARG 37 CO -0.00 -0.42 0.03 -0.06 -0.81 0.00 0.00 175.30 174.05 1njb s PHE 38 N 2.05 3.22 -0.81 5.12 0.08 0.96 -4.96 117.98 123.64 1njb s PHE 38 Ca 0.04 0.21 -0.10 0.00 0.12 0.00 0.00 56.93 57.20 1njb s PHE 38 Cb -0.13 -1.77 0.21 0.00 -0.57 0.00 0.00 43.02 40.76 1njb s PHE 38 CO -0.05 0.51 0.71 0.34 -0.10 0.00 0.00 175.22 176.63 1njb s ASP 39 N -1.21 6.37 0.63 1.36 -1.08 -1.26 -0.27 116.67 121.20 1njb s ASP 39 Ca 0.17 -2.88 0.25 0.00 -0.52 0.00 0.00 52.55 49.56 1njb s ASP 39 Cb -0.12 -2.10 1.24 0.00 -1.46 0.00 0.00 42.92 40.48 1njb s ASP 39 CO 0.07 -0.47 1.69 -0.07 0.52 0.00 0.00 175.17 176.90 1njb h LEU 40 N 7.37 0.00 -1.36 -1.34 -0.00 -1.45 0.33 115.31 118.86 1njb h LEU 40 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.97 1njb h LEU 40 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.65 1njb h LEU 40 CO 0.77 0.00 0.00 0.77 -0.00 0.00 0.00 178.44 179.98 1njb h SER 41 N 0.00 0.00 0.91 -0.43 4.64 -1.73 -2.32 113.55 114.62 1njb h SER 41 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1njb h SER 41 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1njb h SER 41 CO -0.00 0.00 -0.83 0.11 -0.87 0.00 0.00 176.83 175.24 1njb h LYS 42 N 0.00 0.00 0.00 4.77 6.56 -0.70 -3.50 116.57 123.70 1njb h LYS 42 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1njb h LYS 42 Cb 0.39 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.05 1njb h LYS 42 CO 0.00 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.80 1njb n GLY 43 N 1.26 -1.04 3.10 3.86 0.00 -0.87 -4.95 105.19 106.55 1njb n GLY 43 Ca 0.02 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 1njb n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1njb s PHE 44 N -3.00 3.15 0.00 1.61 5.36 -1.24 -4.49 117.98 119.37 1njb s PHE 44 Ca 0.00 -2.09 0.00 0.00 -0.96 0.00 0.00 56.93 53.88 1njb s PHE 44 Cb 0.00 -1.95 0.00 0.00 -0.34 0.00 0.00 43.02 40.73 1njb s PHE 44 CO 0.00 -0.85 0.00 -0.35 -1.46 0.00 0.00 175.22 172.56 1njb n PRO 45 N 4.51 0.00 -2.89 10.12 -0.04 -1.26 -4.16 135.00 141.27 1njb n PRO 45 Ca -0.16 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.89 1njb n PRO 45 Cb 0.44 -1.29 -0.04 0.00 -0.04 0.00 0.00 33.50 32.57 1njb n PRO 45 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1njb s LEU 46 N 0.00 4.12 0.38 1.53 2.96 -1.26 -4.68 118.68 121.73 1njb s LEU 46 Ca 0.00 1.09 -0.25 0.00 -0.22 0.00 0.00 54.13 54.74 1njb s LEU 46 Cb 0.00 -3.20 -0.12 0.00 0.50 0.00 0.00 46.19 43.37 1njb s LEU 46 CO 0.00 -0.47 0.98 0.18 -1.32 0.00 0.00 176.35 175.72 1njb n LEU 47 N 5.71 2.19 -0.10 -0.68 4.77 -1.26 -4.78 117.00 122.84 1njb n LEU 47 Ca 0.05 1.07 -0.13 0.00 -0.03 0.00 0.00 56.01 56.98 1njb n LEU 47 Cb 0.48 -1.32 -0.11 0.00 -2.33 0.00 0.00 43.42 40.13 1njb n LEU 47 CO 0.48 -1.53 -1.16 0.35 -1.33 0.00 0.00 177.39 174.19 1njb n THR 48 N -0.28 1.23 0.62 -5.08 -2.24 -1.26 -4.54 114.28 102.73 1njb n THR 48 Ca 0.09 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1njb n THR 48 Cb 0.37 -1.00 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 1njb n THR 48 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1njb n THR 49 N -2.95 0.00 -3.64 4.28 -2.24 -1.26 0.17 114.28 108.64 1njb n THR 49 Ca -0.35 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.38 1njb n THR 49 Cb 0.97 -0.25 -0.06 0.00 -2.10 0.00 0.00 70.33 68.89 1njb n THR 49 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1njb s LYS 50 N -1.23 0.20 -0.35 -0.78 2.20 -1.26 -4.73 119.74 113.80 1njb s LYS 50 Ca 0.00 0.16 -0.23 0.00 -0.36 0.00 0.00 55.97 55.55 1njb s LYS 50 Cb 0.00 0.10 0.01 0.00 -1.51 0.00 0.00 37.83 36.42 1njb s LYS 50 CO 0.00 -0.04 0.76 0.21 -0.36 0.00 0.00 175.35 175.92 1njb s LYS 51 N -0.32 3.78 -0.14 4.03 2.20 -0.87 -4.55 119.74 123.87 1njb s LYS 51 Ca 0.06 0.32 -0.05 0.00 -0.36 0.00 0.00 55.97 55.94 1njb s LYS 51 Cb -0.03 -3.79 -0.04 0.00 -1.51 0.00 0.00 37.83 32.46 1njb s LYS 51 CO -0.10 -0.80 0.03 0.08 -0.36 0.00 0.00 175.35 174.20 1njb s VAL 52 N 3.01 4.48 -0.87 4.02 1.01 -1.26 -4.68 120.40 126.10 1njb s VAL 52 Ca 0.30 -0.16 -0.25 0.00 0.00 0.00 0.00 61.98 61.88 1njb s VAL 52 Cb -0.14 -2.96 0.02 0.00 0.00 0.00 0.00 36.38 33.31 1njb s VAL 52 CO 0.16 0.52 1.49 -2.16 0.00 0.00 0.00 175.10 175.11 1njb s PRO 53 N -0.09 3.23 0.61 2.72 0.04 -1.26 -4.83 135.00 135.42 1njb s PRO 53 Ca 0.05 -0.54 0.32 0.00 0.04 0.00 0.00 61.00 60.87 1njb s PRO 53 Cb -0.12 -4.82 1.90 0.00 0.04 0.00 0.00 34.50 31.50 1njb s PRO 53 CO 0.02 -2.38 2.24 0.35 0.04 0.00 0.00 177.00 177.27 1njb h PHE 54 N 10.57 0.00 -0.24 0.56 3.57 -1.99 -0.93 116.94 128.47 1njb h PHE 54 Ca -0.02 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.49 1njb h PHE 54 Cb 1.04 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 1njb h PHE 54 CO 1.20 0.00 0.11 0.78 -2.23 0.00 0.00 178.31 178.17 1njb h GLY 55 N 0.00 0.32 0.89 2.40 0.00 -1.99 -0.08 103.07 104.60 1njb h GLY 55 Ca 0.01 -0.08 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 1njb h GLY 55 CO -0.00 0.07 -0.10 1.41 0.00 0.00 0.00 176.54 177.91 1njb h LEU 56 N 0.25 0.58 -1.32 3.11 3.38 -1.58 -1.88 115.31 117.85 1njb h LEU 56 Ca 0.10 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 1njb h LEU 56 Cb 0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1njb h LEU 56 CO -0.07 0.84 0.22 0.16 0.09 0.00 0.00 178.44 179.67 1njb h ILE 57 N 0.32 1.17 0.41 1.22 -0.00 -1.28 -2.82 117.51 116.55 1njb h ILE 57 Ca 0.07 -0.51 -0.02 0.00 -0.00 0.00 0.00 64.86 64.40 1njb h ILE 57 Cb 0.60 0.57 0.00 0.00 -0.00 0.00 0.00 36.82 37.99 1njb h ILE 57 CO 0.03 0.20 -0.20 0.50 -0.00 0.00 0.00 178.15 178.69 1njb h LYS 58 N 0.68 -0.54 -0.21 0.16 3.64 -0.87 -2.85 116.57 116.59 1njb h LYS 58 Ca 0.17 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1njb h LYS 58 Cb 0.10 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1njb h LYS 58 CO -0.02 -0.24 -0.02 0.66 -2.27 0.00 0.00 179.45 177.56 1njb h SER 59 N -1.01 0.28 -0.40 4.20 4.64 -1.34 -2.56 113.55 117.36 1njb h SER 59 Ca -0.06 -0.04 -0.14 0.00 -0.47 0.00 0.00 61.79 61.08 1njb h SER 59 Cb 0.54 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1njb h SER 59 CO 0.09 0.35 -0.28 -0.08 -0.87 0.00 0.00 176.83 176.04 1njb h GLU 60 N 0.30 0.93 -0.31 4.77 4.81 -1.58 -2.57 114.58 120.92 1njb h GLU 60 Ca 0.07 -0.42 -0.02 0.00 -0.13 0.00 0.00 59.36 58.85 1njb h GLU 60 Cb 0.24 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1njb h GLU 60 CO 0.01 1.08 0.11 1.25 -0.73 0.00 0.00 179.01 180.73 1njb h LEU 61 N 0.79 0.44 -1.31 1.64 5.85 -1.21 -2.15 115.31 119.35 1njb h LEU 61 Ca 0.09 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.56 1njb h LEU 61 Cb 0.85 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 1njb h LEU 61 CO 0.08 0.50 -0.27 -0.07 -0.34 0.00 0.00 178.44 178.34 1njb h LEU 62 N 0.34 0.11 0.51 2.25 3.38 -1.50 -1.46 115.31 118.94 1njb h LEU 62 Ca 0.10 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1njb h LEU 62 Cb 0.21 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1njb h LEU 62 CO -0.01 0.39 -0.37 -0.25 0.09 0.00 0.00 178.44 178.30 1njb h TRP 63 N 0.11 -0.98 -0.55 1.13 7.01 -1.20 -2.03 115.95 119.45 1njb h TRP 63 Ca 0.02 -0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.10 1njb h TRP 63 Cb 0.54 0.36 -0.11 0.00 -2.10 0.00 0.00 29.16 27.85 1njb h TRP 63 CO 0.00 -0.54 -0.39 0.74 -2.79 0.00 0.00 178.44 175.47 1njb h PHE 64 N -0.85 -1.11 -0.14 2.65 0.04 -0.79 -0.52 116.94 116.23 1njb h PHE 64 Ca -0.06 0.07 0.04 0.00 2.80 0.00 0.00 57.97 60.83 1njb h PHE 64 Cb 0.71 0.56 -0.01 0.00 2.20 0.00 0.00 35.95 39.42 1njb h PHE 64 CO -0.14 -0.41 0.11 -0.07 -0.60 0.00 0.00 178.31 177.20 1njb h LEU 65 N -0.22 0.00 -0.44 1.54 4.07 -0.94 0.19 115.31 119.51 1njb h LEU 65 Ca 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.15 1njb h LEU 65 Cb 0.56 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.30 1njb h LEU 65 CO -0.66 0.00 -0.03 0.45 -1.08 0.00 0.00 178.44 177.12 1njb h HIS 66 N 0.00 0.00 -0.49 1.13 3.86 -0.37 -3.47 115.15 115.81 1njb h HIS 66 Ca 0.07 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.25 1njb h HIS 66 Cb 0.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.75 1njb h HIS 66 CO 0.00 0.03 -0.04 0.41 0.86 0.00 0.00 177.93 179.19 1njb n GLY 67 N 0.78 0.47 3.73 2.45 0.00 0.65 -5.04 105.19 108.24 1njb n GLY 67 Ca 0.03 -0.78 -0.28 0.00 0.00 0.00 0.00 46.02 44.99 1njb n GLY 67 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1njb n ASP 68 N 1.60 0.09 0.00 1.61 -0.08 -1.19 -4.55 116.55 114.03 1njb n ASP 68 Ca -0.01 -1.46 0.00 0.00 -1.51 0.00 0.00 54.79 51.81 1njb n ASP 68 Cb 0.51 -0.98 0.00 0.00 2.34 0.00 0.00 41.12 42.98 1njb n ASP 68 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1njb n THR 69 N -3.78 0.00 -3.42 5.18 -2.24 -1.26 -4.03 114.28 104.72 1njb n THR 69 Ca 0.16 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.57 1njb n THR 69 Cb 0.56 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.72 1njb n THR 69 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1njb s ASN 70 N 0.00 6.51 0.08 3.42 3.84 -1.26 -0.55 114.94 126.98 1njb s ASN 70 Ca 0.00 0.60 0.08 0.00 0.21 0.00 0.00 52.86 53.75 1njb s ASN 70 Cb 0.00 -2.23 0.39 0.00 -0.55 0.00 0.00 41.25 38.86 1njb s ASN 70 CO 0.00 0.01 1.25 2.30 -2.79 0.00 0.00 177.10 177.87 1njb n ILE 71 N 3.85 1.59 0.30 -5.21 -5.35 -0.33 -3.00 119.36 111.21 1njb n ILE 71 Ca -0.09 0.50 0.16 0.00 -0.27 0.00 0.00 62.75 63.04 1njb n ILE 71 Cb 0.52 -1.46 0.94 0.00 -1.74 0.00 0.00 39.64 37.90 1njb n ILE 71 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1njb h ARG 72 N 0.00 0.00 0.17 6.28 2.43 -1.91 -0.38 114.38 120.96 1njb h ARG 72 Ca 0.00 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.86 1njb h ARG 72 Cb 0.06 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1njb h ARG 72 CO 0.00 0.00 -1.33 0.35 -1.51 0.00 0.00 179.97 177.48 1njb h PHE 73 N 0.00 0.88 0.21 2.20 3.04 -1.96 -2.54 116.94 118.78 1njb h PHE 73 Ca 0.00 -0.61 -0.01 0.00 3.98 0.00 0.00 57.97 61.34 1njb h PHE 73 Cb 0.01 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.47 1njb h PHE 73 CO 0.00 1.46 -0.10 -0.07 -2.02 0.00 0.00 178.31 177.58 1njb h LEU 74 N 0.18 -0.24 -0.89 0.59 3.38 -1.47 -2.30 115.31 114.56 1njb h LEU 74 Ca -0.20 -0.19 0.11 0.00 0.09 0.00 0.00 57.88 57.69 1njb h LEU 74 Cb 2.02 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 42.75 1njb h LEU 74 CO 0.25 0.06 0.53 -0.07 0.09 0.00 0.00 178.44 179.30 1njb h LEU 75 N -0.56 0.76 -1.79 1.67 3.38 -1.14 1.22 115.31 118.84 1njb h LEU 75 Ca -0.03 0.05 0.25 0.00 0.09 0.00 0.00 57.88 58.24 1njb h LEU 75 Cb 0.42 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1njb h LEU 75 CO 0.05 0.42 0.65 -0.61 0.09 0.00 0.00 178.44 179.03 1njb h GLN 76 N 0.86 0.15 -0.54 1.13 5.75 -1.11 0.41 115.11 121.76 1njb h GLN 76 Ca 0.44 -0.01 -0.23 0.00 -0.15 0.00 0.00 58.65 58.69 1njb h GLN 76 Cb 0.42 -0.03 -0.14 0.00 1.07 0.00 0.00 27.48 28.80 1njb h GLN 76 CO -0.26 0.10 0.15 0.72 -2.65 0.00 0.00 178.83 176.89 1njb n HIS 77 N -4.37 1.71 -1.09 3.99 8.25 0.40 -4.93 115.22 119.17 1njb n HIS 77 Ca 0.20 -1.48 -0.06 0.00 -0.26 0.00 0.00 57.72 56.11 1njb n HIS 77 Cb 0.90 -0.59 -0.03 0.00 1.12 0.00 0.00 29.99 31.39 1njb n HIS 77 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1njb n ARG 78 N -0.89 -1.79 -3.06 -0.41 1.74 0.14 -4.91 116.66 107.48 1njb n ARG 78 Ca 0.38 0.65 -0.43 0.00 -0.77 0.00 0.00 57.85 57.68 1njb n ARG 78 Cb 1.21 -4.91 -0.06 0.00 -1.02 0.00 0.00 32.46 27.68 1njb n ARG 78 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1njb s ASN 79 N -2.00 6.38 -0.03 0.55 3.84 -0.18 -4.92 114.94 118.59 1njb s ASN 79 Ca 0.00 -0.13 0.16 0.00 0.21 0.00 0.00 52.86 53.10 1njb s ASN 79 Cb 0.00 -2.35 0.51 0.00 -0.55 0.00 0.00 41.25 38.86 1njb s ASN 79 CO 0.00 -0.78 1.43 1.41 -2.79 0.00 0.00 177.10 176.37 1njb n HIS 80 N 6.36 0.84 -0.32 0.43 8.25 -1.26 -3.45 115.22 126.08 1njb n HIS 80 Ca -0.00 -0.55 0.21 0.00 -0.26 0.00 0.00 57.72 57.12 1njb n HIS 80 Cb 0.48 -0.07 0.42 0.00 1.12 0.00 0.00 29.99 31.93 1njb n HIS 80 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1njb h ILE 81 N 3.13 0.27 -0.05 1.59 2.04 -1.97 -2.57 117.51 119.94 1njb h ILE 81 Ca 0.00 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1njb h ILE 81 Cb 0.99 -0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1njb h ILE 81 CO 0.05 0.05 0.00 0.79 0.00 0.00 0.00 178.15 179.04 1njb n TRP 82 N -5.14 0.03 0.05 1.37 7.02 -1.26 -4.67 117.44 114.83 1njb n TRP 82 Ca 0.29 -0.02 -0.12 0.00 -1.02 0.00 0.00 57.50 56.63 1njb n TRP 82 Cb 0.90 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.74 1njb n TRP 82 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1njb h ASP 83 N 4.39 -1.03 -0.11 -0.99 5.19 -1.81 -1.81 116.42 120.25 1njb h ASP 83 Ca 0.00 0.14 0.03 0.00 -0.62 0.00 0.00 57.03 56.58 1njb h ASP 83 Cb 0.93 0.42 -0.00 0.00 0.18 0.00 0.00 39.33 40.86 1njb h ASP 83 CO 0.00 -0.39 0.82 -0.33 -3.12 0.00 0.00 179.24 176.21 1njb h GLU 84 N -0.47 0.00 0.00 3.56 5.08 -1.83 0.26 114.58 121.18 1njb h GLU 84 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1njb h GLU 84 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1njb h GLU 84 CO -0.30 0.00 -0.02 -1.49 -1.00 0.00 0.00 179.01 176.20 1njb h TRP 85 N 0.00 0.00 -0.63 4.33 4.06 -1.68 -3.13 115.95 118.90 1njb h TRP 85 Ca 0.05 0.00 0.13 0.00 2.06 0.00 0.00 58.89 61.13 1njb h TRP 85 Cb 1.68 0.00 -0.10 0.00 -1.00 0.00 0.00 29.16 29.74 1njb h TRP 85 CO 0.00 0.00 0.06 0.00 -3.56 0.00 0.00 178.44 174.94 1njb h ALA 86 N -1.25 0.68 0.07 1.49 0.00 -1.07 -2.39 119.26 116.78 1njb h ALA 86 Ca 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1njb h ALA 86 Cb 0.02 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1njb h ALA 86 CO 0.00 -0.37 -0.11 0.35 0.00 0.00 0.00 179.25 179.12 1njb h PHE 87 N 0.17 -0.32 -0.76 0.00 3.57 -1.29 -1.12 116.94 117.18 1njb h PHE 87 Ca 0.33 0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.99 1njb h PHE 87 Cb 0.54 0.13 -0.14 0.00 2.79 0.00 0.00 35.95 39.26 1njb h PHE 87 CO -0.32 -0.14 -0.20 -1.91 -2.23 0.00 0.00 178.31 173.51 1njb n GLU 88 N -3.03 -0.08 0.24 1.11 4.07 -0.94 0.18 120.64 122.20 1njb n GLU 88 Ca -0.02 1.19 -0.16 0.00 -0.06 0.00 0.00 57.16 58.11 1njb n GLU 88 Cb 0.09 -1.77 -0.08 0.00 -0.06 0.00 0.00 31.44 29.62 1njb n GLU 88 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1njb h LYS 89 N 0.00 -0.70 -0.73 5.31 6.56 -1.05 -1.42 116.57 124.54 1njb h LYS 89 Ca 0.36 0.05 0.16 0.00 -1.06 0.00 0.00 60.65 60.16 1njb h LYS 89 Cb 0.55 0.16 -0.11 0.00 -0.57 0.00 0.00 32.23 32.26 1njb h LYS 89 CO -0.78 -0.47 0.16 2.35 -2.06 0.00 0.00 179.45 178.64 1njb h TRP 90 N -0.73 0.24 -0.55 -1.35 -0.00 0.32 -0.38 115.95 113.50 1njb h TRP 90 Ca -0.03 0.04 0.06 0.00 -0.00 0.00 0.00 58.89 58.96 1njb h TRP 90 Cb 0.64 0.01 -0.05 0.00 -0.00 0.00 0.00 29.16 29.76 1njb h TRP 90 CO -0.17 -0.10 0.26 0.28 -0.00 0.00 0.00 178.44 178.71 1njb h VAL 91 N 0.25 0.91 -0.83 2.65 2.07 0.41 -2.87 116.25 118.84 1njb h VAL 91 Ca 0.41 -0.17 -0.53 0.00 0.82 0.00 0.00 66.70 67.23 1njb h VAL 91 Cb 0.70 0.37 -0.13 0.00 -1.52 0.00 0.00 31.29 30.71 1njb h VAL 91 CO -0.52 0.09 1.14 2.29 0.02 0.00 0.00 177.57 180.59 1njb n LYS 92 N -4.90 3.08 -4.05 1.57 2.85 -0.15 -4.75 118.16 111.81 1njb n LYS 92 Ca 0.06 -2.44 -0.15 0.00 -1.05 0.00 0.00 58.31 54.73 1njb n LYS 92 Cb 0.17 -2.32 -0.14 0.00 -0.65 0.00 0.00 35.03 32.09 1njb n LYS 92 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1njb s SER 93 N 0.77 0.39 0.00 -5.58 1.04 -1.08 -5.01 113.70 104.23 1njb s SER 93 Ca 0.60 -0.06 0.22 0.00 0.48 0.00 0.00 55.95 57.19 1njb s SER 93 Cb 0.30 -0.05 1.13 0.00 0.10 0.00 0.00 66.02 67.50 1njb s SER 93 CO -0.14 0.03 1.70 -0.67 0.98 0.00 0.00 173.24 175.15 1njb n ASP 94 N 3.05 0.00 0.22 7.02 2.03 -1.26 0.17 116.55 127.78 1njb n ASP 94 Ca -0.13 -0.12 0.10 0.00 0.52 0.00 0.00 54.79 55.16 1njb n ASP 94 Cb 0.58 -0.25 0.47 0.00 -0.72 0.00 0.00 41.12 41.21 1njb n ASP 94 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1njb h GLU 95 N 0.00 0.00 -6.32 -0.67 4.81 -1.94 -3.38 114.58 107.08 1njb h GLU 95 Ca 0.00 0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 58.68 1njb h GLU 95 Cb 0.18 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1njb h GLU 95 CO 0.00 0.23 0.72 -0.47 -0.73 0.00 0.00 179.01 178.77 1njb s TYR 96 N -3.71 3.13 -0.21 0.92 5.04 0.13 -4.98 117.35 117.67 1njb s TYR 96 Ca 0.00 1.15 0.01 0.00 -2.44 0.00 0.00 57.07 55.80 1njb s TYR 96 Cb 0.11 -3.46 0.04 0.00 0.35 0.00 0.00 41.96 39.00 1njb s TYR 96 CO 0.64 -1.48 -0.11 -1.01 -1.34 0.00 0.00 175.55 172.25 1njb s HIS 97 N 2.28 2.55 -1.66 4.97 3.76 -1.26 -4.84 115.29 121.09 1njb s HIS 97 Ca 0.57 -1.69 0.00 0.00 -0.15 0.00 0.00 55.06 53.79 1njb s HIS 97 Cb -0.25 -1.70 0.00 0.00 1.11 0.00 0.00 32.58 31.74 1njb s HIS 97 CO 0.22 -0.77 0.00 0.41 -0.85 0.00 0.00 174.74 173.76 1njb n GLY 98 N 4.65 0.46 3.43 -2.22 0.00 -1.26 -5.06 105.19 105.19 1njb n GLY 98 Ca -0.15 -1.58 -0.17 0.00 0.00 0.00 0.00 46.02 44.12 1njb n GLY 98 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1njb n PRO 99 N 0.00 0.09 -1.43 1.61 -0.02 -1.26 -4.83 135.00 129.16 1njb n PRO 99 Ca 0.00 -0.21 -0.11 0.00 -2.02 0.00 0.00 63.50 61.17 1njb n PRO 99 Cb 0.00 -1.55 -0.09 0.00 -0.02 0.00 0.00 33.50 31.84 1njb n PRO 99 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1njb n ASP 100 N 8.06 0.46 -2.38 2.55 9.92 -1.26 -4.78 116.55 129.11 1njb n ASP 100 Ca 0.52 -2.08 -0.05 0.00 -0.53 0.00 0.00 54.79 52.65 1njb n ASP 100 Cb 0.26 -1.42 -0.06 0.00 -0.64 0.00 0.00 41.12 39.26 1njb n ASP 100 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 1njb n MET 101 N 7.22 0.80 -1.93 -1.24 1.56 -1.26 -4.92 117.12 117.35 1njb n MET 101 Ca 0.32 -0.44 -0.42 0.00 -0.27 0.00 0.00 57.70 56.90 1njb n MET 101 Cb 0.46 -1.74 -0.03 0.00 2.15 0.00 0.00 33.22 34.07 1njb n MET 101 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 1njb s THR 102 N 2.39 2.72 -1.53 1.12 2.01 -1.26 -1.86 115.64 119.23 1njb s THR 102 Ca 0.25 0.44 -0.00 0.00 0.31 0.00 0.00 61.69 62.69 1njb s THR 102 Cb 0.12 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 69.34 1njb s THR 102 CO -0.00 0.02 0.04 0.47 -0.69 0.00 0.00 174.62 174.46 1njb n ASP 103 N 4.44 -5.24 -0.30 3.53 9.92 -1.26 -4.86 116.55 122.78 1njb n ASP 103 Ca 0.14 0.03 0.04 0.00 -0.53 0.00 0.00 54.79 54.47 1njb n ASP 103 Cb 0.39 -4.38 0.11 0.00 -0.64 0.00 0.00 41.12 36.61 1njb n ASP 103 CO 0.00 0.00 0.00 2.19 0.13 0.00 0.00 177.20 179.52 1njb h PHE 104 N -0.09 -0.42 -1.43 1.24 -5.15 -1.76 -1.62 116.94 107.71 1njb h PHE 104 Ca -0.43 0.07 -0.75 0.00 -0.20 0.00 0.00 57.97 56.66 1njb h PHE 104 Cb 1.32 0.32 -0.15 0.00 0.22 0.00 0.00 35.95 37.65 1njb h PHE 104 CO 0.61 -0.36 1.98 0.41 -2.00 0.00 0.00 178.31 178.95 1njb n GLY 105 N -1.54 4.62 0.75 6.09 0.00 -1.26 -2.21 105.19 111.65 1njb n GLY 105 Ca 0.13 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1njb n GLY 105 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1njb n HIS 106 N 4.07 -0.94 0.21 1.61 8.25 -0.64 -4.94 115.22 122.85 1njb n HIS 106 Ca 0.40 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.90 1njb n HIS 106 Cb 0.37 0.19 0.47 0.00 1.12 0.00 0.00 29.99 32.14 1njb n HIS 106 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1njb h ARG 107 N 0.00 0.03 0.00 -0.41 0.11 -1.55 -1.62 114.38 110.94 1njb h ARG 107 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1njb h ARG 107 Cb 0.00 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1njb h ARG 107 CO 0.00 0.23 0.01 -1.13 0.10 0.00 0.00 179.97 179.18 1njb n SER 108 N -4.29 0.42 -0.96 0.08 3.41 -0.94 -0.52 113.62 110.83 1njb n SER 108 Ca -0.02 0.69 0.09 0.00 -0.26 0.00 0.00 58.87 59.37 1njb n SER 108 Cb 0.27 -0.75 0.22 0.00 -0.26 0.00 0.00 64.21 63.69 1njb n SER 108 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1njb n GLN 109 N -2.07 2.62 0.00 4.33 6.02 -0.61 -4.35 117.38 123.33 1njb n GLN 109 Ca -0.01 -2.25 0.00 0.00 -0.01 0.00 0.00 57.00 54.73 1njb n GLN 109 Cb 0.03 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 29.88 1njb n GLN 109 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1njb n LYS 110 N 1.07 2.61 -3.63 -1.09 4.76 0.01 -5.00 118.16 116.89 1njb n LYS 110 Ca 0.17 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.32 1njb n LYS 110 Cb 0.51 -0.25 -0.14 0.00 -1.84 0.00 0.00 35.03 33.31 1njb n LYS 110 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1njb s ASP 111 N -0.39 3.67 0.00 4.39 2.15 0.32 -5.02 116.67 121.79 1njb s ASP 111 Ca 0.00 -1.71 0.05 0.00 0.43 0.00 0.00 52.55 51.32 1njb s ASP 111 Cb 0.00 -0.64 0.24 0.00 -0.30 0.00 0.00 42.92 42.22 1njb s ASP 111 CO 0.00 -0.39 1.08 -0.81 -0.17 0.00 0.00 175.17 174.88 1njb n PRO 112 N 4.72 0.04 0.10 4.34 -0.04 -1.26 -1.87 135.00 141.02 1njb n PRO 112 Ca -0.00 0.32 -0.18 0.00 -0.04 0.00 0.00 63.50 63.61 1njb n PRO 112 Cb 0.40 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.25 1njb n PRO 112 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1njb h GLU 113 N 0.00 0.42 0.01 0.54 4.11 -1.95 -3.28 114.58 114.43 1njb h GLU 113 Ca 0.00 -0.60 -0.20 0.00 0.07 0.00 0.00 59.36 58.63 1njb h GLU 113 Cb 0.07 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1njb h GLU 113 CO 0.00 1.25 -0.91 0.35 0.07 0.00 0.00 179.01 179.77 1njb h PHE 114 N 0.17 0.33 0.00 2.06 3.57 -1.74 -3.13 116.94 118.21 1njb h PHE 114 Ca -0.15 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.17 1njb h PHE 114 Cb 1.88 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.58 1njb h PHE 114 CO 0.08 1.01 0.02 0.00 -2.23 0.00 0.00 178.31 177.19 1njb n ALA 115 N -2.47 1.11 -0.11 2.41 0.00 -1.09 -1.25 120.51 119.11 1njb n ALA 115 Ca -0.04 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.23 1njb n ALA 115 Cb 0.83 -0.94 -0.10 0.00 0.00 0.00 0.00 19.45 19.24 1njb n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1njb n ALA 116 N -1.28 1.54 -0.07 0.00 0.00 -1.18 -3.68 120.51 115.84 1njb n ALA 116 Ca 0.00 -0.91 -0.12 0.00 0.00 0.00 0.00 53.44 52.41 1njb n ALA 116 Cb 0.02 0.05 -0.05 0.00 0.00 0.00 0.00 19.45 19.47 1njb n ALA 116 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1njb h VAL 117 N -0.16 1.27 0.00 0.00 3.04 -1.46 -2.38 116.25 116.56 1njb h VAL 117 Ca -0.50 -0.94 0.00 0.00 -1.01 0.00 0.00 66.70 64.26 1njb h VAL 117 Cb 1.69 1.45 0.00 0.00 -2.01 0.00 0.00 31.29 32.42 1njb h VAL 117 CO -0.13 0.29 0.00 0.00 -1.01 0.00 0.00 177.57 176.72 1njb n TYR 118 N -4.65 0.00 0.00 3.17 9.36 -0.38 -1.23 117.16 123.43 1njb n TYR 118 Ca -0.04 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.18 1njb n TYR 118 Cb 0.25 -0.40 0.01 0.00 -0.63 0.00 0.00 39.34 38.57 1njb n TYR 118 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1njb n HIS 119 N -2.08 0.01 -0.07 2.98 8.25 -1.24 -0.61 115.22 122.46 1njb n HIS 119 Ca 0.00 0.01 -0.08 0.00 -0.26 0.00 0.00 57.72 57.38 1njb n HIS 119 Cb 0.00 -0.33 -0.05 0.00 1.12 0.00 0.00 29.99 30.73 1njb n HIS 119 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1njb h GLU 120 N 0.00 0.00 -0.00 -0.41 4.57 -0.61 -3.20 114.58 114.92 1njb h GLU 120 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1njb h GLU 120 Cb 0.36 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1njb h GLU 120 CO 0.00 0.40 0.01 1.49 -1.18 0.00 0.00 179.01 179.72 1njb h GLU 121 N -1.00 0.00 -0.05 1.92 4.57 0.49 -1.36 114.58 119.15 1njb h GLU 121 Ca -0.07 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1njb h GLU 121 Cb 0.59 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.18 1njb h GLU 121 CO -0.04 0.00 0.02 0.52 -1.18 0.00 0.00 179.01 178.33 1njb h MET 122 N 0.00 0.08 0.00 1.92 2.86 -1.36 0.47 114.93 118.90 1njb h MET 122 Ca 0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1njb h MET 122 Cb 0.01 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1njb h MET 122 CO -0.00 0.27 0.00 0.00 1.06 0.00 0.00 176.91 178.24 1njb n ALA 123 N -2.22 1.62 0.21 6.32 0.00 -0.59 -0.24 120.51 125.61 1njb n ALA 123 Ca -0.07 0.08 -0.10 0.00 0.00 0.00 0.00 53.44 53.35 1njb n ALA 123 Cb 0.13 -1.36 -0.05 0.00 0.00 0.00 0.00 19.45 18.17 1njb n ALA 123 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1njb h LYS 124 N 0.00 -0.58 0.11 0.00 1.57 -0.49 -2.82 116.57 114.35 1njb h LYS 124 Ca 0.00 0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1njb h LYS 124 Cb 0.33 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 1njb h LYS 124 CO 0.00 -0.38 -0.38 0.35 -0.57 0.00 0.00 179.45 178.47 1njb h PHE 125 N -1.15 -1.10 -0.31 -1.35 3.57 0.03 0.68 116.94 117.30 1njb h PHE 125 Ca -0.06 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.56 1njb h PHE 125 Cb 0.47 0.47 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 1njb h PHE 125 CO 0.00 -0.44 0.25 -0.44 -2.23 0.00 0.00 178.31 175.46 1njb h ASP 126 N -0.56 0.00 0.44 0.41 3.32 -0.77 0.17 116.42 119.43 1njb h ASP 126 Ca -0.01 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.73 1njb h ASP 126 Cb 0.55 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.13 1njb h ASP 126 CO -0.20 0.00 -1.38 -0.78 -1.72 0.00 0.00 179.24 175.16 1njb h ASP 127 N 0.00 0.64 0.36 6.45 1.82 -1.14 -1.66 116.42 122.88 1njb h ASP 127 Ca 0.15 -0.69 -0.02 0.00 -0.39 0.00 0.00 57.03 56.08 1njb h ASP 127 Cb 0.65 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.45 1njb h ASP 127 CO -0.00 1.54 -0.17 -0.09 -1.61 0.00 0.00 179.24 178.91 1njb h ARG 128 N 0.11 -0.47 -0.93 0.28 9.65 0.46 0.04 114.38 123.52 1njb h ARG 128 Ca -0.20 0.03 0.19 0.00 -1.10 0.00 0.00 59.98 58.90 1njb h ARG 128 Cb 2.08 0.11 -0.08 0.00 -1.39 0.00 0.00 29.97 30.69 1njb h ARG 128 CO 0.24 -0.17 0.60 0.28 2.80 0.00 0.00 179.97 183.72 1njb h VAL 129 N -0.75 0.71 -0.42 0.20 2.07 -0.80 0.97 116.25 118.23 1njb h VAL 129 Ca -0.05 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 1njb h VAL 129 Cb 0.51 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1njb h VAL 129 CO 0.08 0.10 -0.02 -0.07 0.02 0.00 0.00 177.57 177.68 1njb h LEU 130 N 0.54 0.74 0.00 2.57 -0.00 -1.01 -3.39 115.31 114.76 1njb h LEU 130 Ca 0.49 -0.32 -0.37 0.00 -0.00 0.00 0.00 57.88 57.68 1njb h LEU 130 Cb 1.04 -0.20 -0.06 0.00 -0.00 0.00 0.00 40.66 41.43 1njb h LEU 130 CO -0.23 0.88 -2.35 1.41 -0.00 0.00 0.00 178.44 178.15 1njb n HIS 131 N -4.40 0.00 -2.57 1.13 8.25 0.49 -4.88 115.22 113.24 1njb n HIS 131 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 1njb n HIS 131 Cb 0.31 -0.90 -0.03 0.00 1.12 0.00 0.00 29.99 30.49 1njb n HIS 131 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1njb s ASP 132 N -6.59 6.21 0.22 0.41 -1.08 0.31 -4.93 116.67 111.22 1njb s ASP 132 Ca -0.33 -0.63 -0.17 0.00 -0.52 0.00 0.00 52.55 50.90 1njb s ASP 132 Cb 0.10 -2.55 0.22 0.00 -1.46 0.00 0.00 42.92 39.23 1njb s ASP 132 CO 0.51 -1.77 1.57 0.44 0.52 0.00 0.00 175.17 176.44 1njb h ASP 133 N 9.97 -1.21 0.39 -0.34 3.32 -1.88 0.30 116.42 126.97 1njb h ASP 133 Ca -0.21 0.27 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1njb h ASP 133 Cb 1.05 0.64 -0.00 0.00 0.22 0.00 0.00 39.33 41.24 1njb h ASP 133 CO 1.30 -0.29 -0.03 0.00 -1.72 0.00 0.00 179.24 178.49 1njb h ALA 134 N 1.32 1.09 0.00 3.45 0.00 -1.97 -1.92 119.26 121.24 1njb h ALA 134 Ca 0.32 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1njb h ALA 134 Cb 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1njb h ALA 134 CO -0.85 0.04 -0.00 0.35 0.00 0.00 0.00 179.25 178.79 1njb h PHE 135 N 0.00 -0.00 -1.00 0.00 3.57 -0.84 -2.55 116.94 116.11 1njb h PHE 135 Ca -0.00 -0.00 0.22 0.00 3.53 0.00 0.00 57.97 61.72 1njb h PHE 135 Cb 0.23 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 38.86 1njb h PHE 135 CO 0.00 0.78 0.61 0.00 -2.23 0.00 0.00 178.31 177.47 1njb h ALA 136 N -0.20 1.82 -0.06 2.41 0.00 -0.65 0.55 119.26 123.14 1njb h ALA 136 Ca -0.00 0.09 -0.24 0.00 0.00 0.00 0.00 54.91 54.76 1njb h ALA 136 Cb 0.78 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.56 1njb h ALA 136 CO 0.00 -0.23 -0.90 0.00 0.00 0.00 0.00 179.25 178.13 1njb h ALA 137 N 1.67 0.19 0.18 0.00 0.00 -1.45 -0.39 119.26 119.45 1njb h ALA 137 Ca 0.60 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1njb h ALA 137 Cb 1.11 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1njb h ALA 137 CO -0.39 0.64 -0.09 -0.22 0.00 0.00 0.00 179.25 179.19 1njb h LYS 138 N 0.39 -0.24 0.00 0.00 1.63 -0.52 -3.36 116.57 114.48 1njb h LYS 138 Ca -0.10 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1njb h LYS 138 Cb 1.55 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 33.23 1njb h LYS 138 CO 0.18 0.16 -1.17 0.66 -3.45 0.00 0.00 179.45 175.84 1njb n TYR 139 N -4.94 0.00 0.10 1.91 4.01 0.17 -4.58 117.16 113.83 1njb n TYR 139 Ca -0.07 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.71 1njb n TYR 139 Cb 0.26 -0.15 -0.00 0.00 -0.31 0.00 0.00 39.34 39.13 1njb n TYR 139 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1njb h GLY 140 N 3.67 0.00 -4.40 2.72 0.00 -0.95 -3.45 103.07 100.66 1njb h GLY 140 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 1njb h GLY 140 CO 0.00 0.00 0.34 -0.35 0.00 0.00 0.00 176.54 176.53 1njb s ASP 141 N -6.00 7.36 -0.07 0.19 2.15 -1.07 -1.18 116.67 118.05 1njb s ASP 141 Ca 0.01 1.65 -0.04 0.00 0.43 0.00 0.00 52.55 54.60 1njb s ASP 141 Cb 0.08 -2.56 -0.27 0.00 -0.30 0.00 0.00 42.92 39.87 1njb s ASP 141 CO 0.77 -0.21 0.58 -0.07 -0.17 0.00 0.00 175.17 176.07 1njb h LEU 142 N 6.56 0.39 0.00 -1.34 3.38 -1.14 -3.48 115.31 119.68 1njb h LEU 142 Ca -0.41 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 56.83 1njb h LEU 142 Cb 1.22 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1njb h LEU 142 CO 0.74 1.63 0.00 0.61 0.09 0.00 0.00 178.44 181.52 1njb n GLY 143 N 1.83 0.95 3.61 0.83 0.00 -1.26 -4.90 105.19 106.25 1njb n GLY 143 Ca -0.25 -1.03 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 1njb n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1njb s LEU 144 N 0.00 3.68 0.19 0.99 1.43 -1.26 -4.64 118.68 119.07 1njb s LEU 144 Ca 0.00 0.93 -0.13 0.00 -1.03 0.00 0.00 54.13 53.90 1njb s LEU 144 Cb 0.00 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.69 1njb s LEU 144 CO 0.00 -1.32 0.41 -0.69 0.23 0.00 0.00 176.35 174.98 1njb s VAL 145 N 5.08 0.04 0.33 -1.59 1.01 -1.26 -5.03 120.40 118.98 1njb s VAL 145 Ca 0.59 -1.15 0.11 0.00 0.00 0.00 0.00 61.98 61.53 1njb s VAL 145 Cb -0.14 -1.79 0.33 0.00 0.00 0.00 0.00 36.38 34.77 1njb s VAL 145 CO 0.30 -0.18 1.65 1.88 0.00 0.00 0.00 175.10 178.75 1njb h TYR 146 N 2.36 0.74 -0.44 5.22 0.05 -1.93 0.10 116.97 123.07 1njb h TYR 146 Ca -0.30 0.04 0.01 0.00 0.05 0.00 0.00 58.73 58.54 1njb h TYR 146 Cb 1.24 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 38.79 1njb h TYR 146 CO 0.38 -0.21 0.29 0.78 -1.05 0.00 0.00 178.16 178.35 1njb h GLY 147 N 0.27 0.62 1.72 3.88 0.00 -1.78 0.14 103.07 107.92 1njb h GLY 147 Ca 0.69 -0.22 -0.19 0.00 0.00 0.00 0.00 47.33 47.61 1njb h GLY 147 CO -0.64 0.21 -0.80 1.48 0.00 0.00 0.00 176.54 176.80 1njb h SER 148 N 0.58 0.33 1.22 0.19 4.64 -1.18 -1.37 113.55 117.95 1njb h SER 148 Ca 0.17 -0.24 -0.05 0.00 -0.47 0.00 0.00 61.79 61.20 1njb h SER 148 Cb -0.05 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 1njb h SER 148 CO -0.05 0.99 -0.22 0.06 -0.87 0.00 0.00 176.83 176.75 1njb h GLN 149 N 0.16 0.00 0.21 4.77 3.07 -0.87 0.67 115.11 123.12 1njb h GLN 149 Ca -0.04 0.00 -0.31 0.00 0.09 0.00 0.00 58.65 58.40 1njb h GLN 149 Cb 1.39 0.00 0.03 0.00 0.08 0.00 0.00 27.48 28.97 1njb h GLN 149 CO 0.13 0.22 -1.41 -1.49 0.09 0.00 0.00 178.83 176.37 1njb h TRP 150 N 0.00 0.79 -0.00 0.06 4.06 -0.68 -3.41 115.95 116.78 1njb h TRP 150 Ca -0.00 -0.58 0.00 0.00 2.06 0.00 0.00 58.89 60.37 1njb h TRP 150 Cb 0.88 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 29.01 1njb h TRP 150 CO 0.00 1.54 0.00 0.54 -3.56 0.00 0.00 178.44 176.96 1njb n ARG 151 N -3.79 1.98 -2.70 0.49 1.74 -0.52 -1.53 116.66 112.32 1njb n ARG 151 Ca -0.19 -2.15 -0.07 0.00 -0.77 0.00 0.00 57.85 54.67 1njb n ARG 151 Cb 1.02 -1.30 0.10 0.00 -1.02 0.00 0.00 32.46 31.26 1njb n ARG 151 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1njb n ALA 152 N -1.05 0.16 -2.16 7.54 0.00 0.22 -4.31 120.51 120.91 1njb n ALA 152 Ca 0.10 -1.24 -0.43 0.00 0.00 0.00 0.00 53.44 51.87 1njb n ALA 152 Cb 0.49 -1.14 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 1njb n ALA 152 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1njb s TRP 153 N 0.20 2.10 0.09 0.00 -0.11 -0.50 -4.58 118.94 116.14 1njb s TRP 153 Ca 0.20 0.63 -0.31 0.00 1.22 0.00 0.00 56.10 57.85 1njb s TRP 153 Cb 0.34 -4.17 -0.09 0.00 -1.50 0.00 0.00 33.47 28.05 1njb s TRP 153 CO -0.08 -2.56 1.73 -1.01 -4.62 0.00 0.00 176.95 170.42 1njb s HIS 154 N 6.00 2.27 0.57 5.86 3.76 -1.26 -1.89 115.29 130.60 1njb s HIS 154 Ca 0.71 0.15 0.04 0.00 -0.15 0.00 0.00 55.06 55.81 1njb s HIS 154 Cb -0.19 -4.06 0.11 0.00 1.11 0.00 0.00 32.58 29.54 1njb s HIS 154 CO 0.32 -4.33 0.79 0.25 -0.85 0.00 0.00 174.74 170.92 1njb n THR 155 N 4.76 0.00 -0.12 1.30 -2.24 -0.17 -5.01 114.28 112.79 1njb n THR 155 Ca 0.17 -1.50 0.10 0.00 -2.27 0.00 0.00 64.05 60.56 1njb n THR 155 Cb 0.40 -0.79 0.29 0.00 -2.10 0.00 0.00 70.33 68.13 1njb n THR 155 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1njb n SER 156 N -2.70 3.60 -2.14 3.42 7.64 -1.26 -3.88 113.62 118.30 1njb n SER 156 Ca 0.14 -2.04 -0.14 0.00 1.01 0.00 0.00 58.87 57.84 1njb n SER 156 Cb 0.51 -0.45 0.04 0.00 -1.01 0.00 0.00 64.21 63.30 1njb n SER 156 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1njb n LYS 157 N 1.38 2.81 -0.45 1.43 0.00 -1.26 -4.97 118.16 117.10 1njb n LYS 157 Ca 0.22 -3.85 0.00 0.00 0.00 0.00 0.00 58.31 54.68 1njb n LYS 157 Cb 0.58 -1.96 0.00 0.00 0.00 0.00 0.00 35.03 33.64 1njb n LYS 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1njb n GLY 158 N -0.67 1.12 3.93 3.14 0.00 -1.25 -5.01 105.19 106.45 1njb n GLY 158 Ca 0.30 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.13 1njb n GLY 158 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1njb s ASP 159 N -2.86 5.65 0.01 1.61 2.15 -1.26 -4.89 116.67 117.08 1njb s ASP 159 Ca 0.00 -0.34 -0.08 0.00 0.43 0.00 0.00 52.55 52.56 1njb s ASP 159 Cb 0.00 -1.08 -0.05 0.00 -0.30 0.00 0.00 42.92 41.49 1njb s ASP 159 CO 0.00 -0.42 0.29 -0.89 -0.17 0.00 0.00 175.17 173.97 1njb s THR 160 N -2.25 5.27 -0.11 1.71 2.01 -1.26 -1.00 115.64 120.01 1njb s THR 160 Ca 0.44 0.26 0.02 0.00 0.31 0.00 0.00 61.69 62.72 1njb s THR 160 Cb -0.08 -3.57 0.01 0.00 0.01 0.00 0.00 72.50 68.87 1njb s THR 160 CO 0.29 0.39 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.81 1njb s ILE 161 N -1.27 1.64 -1.27 1.82 1.01 -0.79 -4.85 121.20 117.48 1njb s ILE 161 Ca 0.27 -0.74 -0.10 0.00 0.00 0.00 0.00 60.65 60.08 1njb s ILE 161 Cb -0.13 -1.47 0.17 0.00 0.01 0.00 0.00 42.46 41.04 1njb s ILE 161 CO 0.15 0.47 1.81 -0.67 0.00 0.00 0.00 174.94 176.70 1njb n ASP 162 N 3.99 5.14 -0.24 3.58 -0.08 -1.26 -1.41 116.55 126.27 1njb n ASP 162 Ca -0.20 -3.10 -0.02 0.00 -1.51 0.00 0.00 54.79 49.96 1njb n ASP 162 Cb 0.52 -1.48 0.04 0.00 2.34 0.00 0.00 41.12 42.54 1njb n ASP 162 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1njb h GLN 163 N 5.90 -0.08 -0.15 -0.67 4.20 -1.69 0.40 115.11 123.03 1njb h GLN 163 Ca 0.38 0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.97 1njb h GLN 163 Cb 0.66 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 1njb h GLN 163 CO 1.57 -0.05 -0.46 1.25 -0.67 0.00 0.00 178.83 180.47 1njb h LEU 164 N -0.08 0.41 -0.95 1.46 7.12 -1.61 -1.89 115.31 119.77 1njb h LEU 164 Ca 0.30 -0.19 -0.10 0.00 0.13 0.00 0.00 57.88 58.02 1njb h LEU 164 Cb 0.55 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 40.55 1njb h LEU 164 CO -0.74 0.81 -0.46 1.23 -0.13 0.00 0.00 178.44 179.15 1njb h GLY 165 N 1.20 0.00 0.24 3.75 0.00 -1.49 -2.84 103.07 103.92 1njb h GLY 165 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 1njb h GLY 165 CO 0.08 0.00 -0.13 -0.55 0.00 0.00 0.00 176.54 175.94 1njb h ASP 166 N 0.00 0.10 -0.97 0.19 3.32 -0.70 -3.14 116.42 115.22 1njb h ASP 166 Ca -0.00 -0.88 0.15 0.00 0.02 0.00 0.00 57.03 56.32 1njb h ASP 166 Cb 0.92 -0.03 -0.09 0.00 0.22 0.00 0.00 39.33 40.35 1njb h ASP 166 CO 0.06 0.96 0.61 0.58 -1.72 0.00 0.00 179.24 179.73 1njb h VAL 167 N -0.76 0.82 0.00 -1.35 2.07 -1.38 0.29 116.25 115.94 1njb h VAL 167 Ca -0.02 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 1njb h VAL 167 Cb 0.99 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1njb h VAL 167 CO 0.03 0.15 -0.18 0.40 0.02 0.00 0.00 177.57 177.99 1njb h ILE 168 N 0.80 1.02 0.11 4.57 2.04 -1.56 0.03 117.51 124.52 1njb h ILE 168 Ca 0.51 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1njb h ILE 168 Cb 0.73 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1njb h ILE 168 CO -0.27 0.17 -0.05 -0.08 0.00 0.00 0.00 178.15 177.91 1njb h GLU 169 N 0.00 -0.14 -0.51 2.37 4.22 -0.41 -3.08 114.58 117.03 1njb h GLU 169 Ca -0.00 0.01 0.11 0.00 0.08 0.00 0.00 59.36 59.55 1njb h GLU 169 Cb 0.33 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 1njb h GLU 169 CO 0.02 0.27 0.35 1.96 -2.18 0.00 0.00 179.01 179.43 1njb h GLN 170 N -0.61 0.22 -0.21 1.92 1.08 -0.68 -1.51 115.11 115.32 1njb h GLN 170 Ca -0.02 -0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.10 1njb h GLN 170 Cb 0.48 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 1njb h GLN 170 CO 0.03 0.14 -0.19 0.82 -0.95 0.00 0.00 178.83 178.68 1njb h ILE 171 N 0.22 1.23 -0.00 2.54 2.04 -0.92 0.66 117.51 123.28 1njb h ILE 171 Ca 0.24 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 1njb h ILE 171 Cb 0.64 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1njb h ILE 171 CO -0.04 0.33 -0.09 0.11 0.00 0.00 0.00 178.15 178.45 1njb h LYS 172 N 0.33 0.07 0.00 2.37 1.57 -1.29 -3.08 116.57 116.54 1njb h LYS 172 Ca 0.06 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1njb h LYS 172 Cb 0.53 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1njb h LYS 172 CO 0.03 0.82 -0.73 1.79 -0.57 0.00 0.00 179.45 180.80 1njb h THR 173 N -0.66 0.25 -1.57 -0.16 1.35 -1.46 -3.40 112.91 107.26 1njb h THR 173 Ca -0.01 -1.41 -0.47 0.00 -0.55 0.00 0.00 66.41 63.97 1njb h THR 173 Cb 0.85 1.90 -0.34 0.00 -1.73 0.00 0.00 68.15 68.84 1njb h THR 173 CO 0.02 0.14 -1.00 1.41 -0.25 0.00 0.00 175.52 175.84 1njb n HIS 174 N -2.93 -0.82 0.32 4.73 8.25 0.23 -4.96 115.22 120.05 1njb n HIS 174 Ca -0.00 -3.28 0.19 0.00 -0.26 0.00 0.00 57.72 54.37 1njb n HIS 174 Cb 0.64 0.04 0.99 0.00 1.12 0.00 0.00 29.99 32.78 1njb n HIS 174 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1njb h PRO 175 N 3.65 0.00 -0.49 -0.41 0.13 -1.56 0.12 132.00 133.44 1njb h PRO 175 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1njb h PRO 175 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1njb h PRO 175 CO 0.43 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.86 1njb n TYR 176 N -3.08 0.65 -1.86 1.56 4.01 -1.26 -3.77 117.16 113.41 1njb n TYR 176 Ca -0.02 -0.33 -0.42 0.00 -0.16 0.00 0.00 57.90 56.98 1njb n TYR 176 Cb 0.24 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.24 1njb n TYR 176 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1njb s SER 177 N -1.22 6.51 -0.04 7.72 0.15 0.43 -4.88 113.70 122.37 1njb s SER 177 Ca 0.39 2.71 0.18 0.00 0.70 0.00 0.00 55.95 59.93 1njb s SER 177 Cb 0.21 -2.60 0.57 0.00 -1.71 0.00 0.00 66.02 62.50 1njb s SER 177 CO 0.29 -0.87 1.47 0.54 1.20 0.00 0.00 173.24 175.87 1njb n ARG 178 N 3.84 2.77 -0.14 5.44 1.74 -1.26 -4.05 116.66 124.99 1njb n ARG 178 Ca 0.14 -2.30 0.07 0.00 -0.77 0.00 0.00 57.85 54.99 1njb n ARG 178 Cb 0.37 -1.60 0.14 0.00 -1.02 0.00 0.00 32.46 30.36 1njb n ARG 178 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1njb n ARG 179 N 1.17 2.21 -1.44 5.56 1.74 -1.26 -4.90 116.66 119.73 1njb n ARG 179 Ca 0.21 -1.89 -0.31 0.00 -0.77 0.00 0.00 57.85 55.09 1njb n ARG 179 Cb 0.62 -1.30 -0.09 0.00 -1.02 0.00 0.00 32.46 30.67 1njb n ARG 179 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1njb n LEU 180 N 0.74 2.47 -4.16 0.55 4.77 -1.26 -4.89 117.00 115.22 1njb n LEU 180 Ca 0.12 -2.62 -0.22 0.00 -0.03 0.00 0.00 56.01 53.26 1njb n LEU 180 Cb 0.42 -1.36 -0.14 0.00 -2.33 0.00 0.00 43.42 40.02 1njb n LEU 180 CO 0.09 -1.99 -0.48 -0.63 -1.33 0.00 0.00 177.39 173.05 1njb s ILE 181 N 10.51 1.25 -0.07 -0.08 1.01 -1.26 -1.99 121.20 130.57 1njb s ILE 181 Ca 0.69 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 60.42 1njb s ILE 181 Cb 0.05 -1.10 -0.00 0.00 0.01 0.00 0.00 42.46 41.42 1njb s ILE 181 CO 0.19 0.11 -0.20 -0.69 0.00 0.00 0.00 174.94 174.35 1njb s VAL 182 N -0.74 1.69 -0.01 2.92 1.01 -0.72 -4.96 120.40 119.60 1njb s VAL 182 Ca 0.04 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.23 1njb s VAL 182 Cb -0.08 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 1njb s VAL 182 CO 0.01 0.48 -0.17 -0.55 0.00 0.00 0.00 175.10 174.87 1njb s SER 183 N 0.22 1.98 0.00 3.32 0.15 -1.26 -1.71 113.70 116.39 1njb s SER 183 Ca -0.11 -0.31 0.09 0.00 0.70 0.00 0.00 55.95 56.33 1njb s SER 183 Cb -0.15 -0.24 0.11 0.00 -1.71 0.00 0.00 66.02 64.04 1njb s SER 183 CO 0.05 0.20 0.89 0.00 1.20 0.00 0.00 173.24 175.58 1njb n ALA 184 N 2.70 2.40 -2.62 5.45 0.00 -0.54 -4.83 120.51 123.07 1njb n ALA 184 Ca -0.15 -0.70 -0.43 0.00 0.00 0.00 0.00 53.44 52.16 1njb n ALA 184 Cb 0.54 -0.31 -0.05 0.00 0.00 0.00 0.00 19.45 19.63 1njb n ALA 184 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1njb s TRP 185 N -0.81 2.93 -0.25 0.00 -0.11 -1.20 -4.76 118.94 114.74 1njb s TRP 185 Ca 0.12 -0.03 -0.03 0.00 1.22 0.00 0.00 56.10 57.39 1njb s TRP 185 Cb 0.08 -3.79 0.02 0.00 -1.50 0.00 0.00 33.47 28.27 1njb s TRP 185 CO 0.12 -1.13 -0.04 1.21 -4.62 0.00 0.00 176.95 172.48 1njb s ASN 186 N 2.50 4.39 0.17 5.86 3.84 -1.26 -5.02 114.94 125.41 1njb s ASN 186 Ca 0.27 -0.74 -0.20 0.00 0.21 0.00 0.00 52.86 52.40 1njb s ASN 186 Cb -0.13 -1.70 0.09 0.00 -0.55 0.00 0.00 41.25 38.95 1njb s ASN 186 CO 0.19 -0.11 1.62 -0.65 -2.79 0.00 0.00 177.10 175.37 1njb h PRO 187 N 8.06 -0.16 -0.10 0.43 0.11 -2.00 -0.99 132.00 137.35 1njb h PRO 187 Ca -0.35 0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.71 1njb h PRO 187 Cb 1.12 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1njb h PRO 187 CO 0.59 -0.11 -0.22 1.05 -0.21 0.00 0.00 178.00 179.10 1njb h GLU 188 N -0.17 0.17 0.00 1.05 4.11 -2.03 -3.01 114.58 114.70 1njb h GLU 188 Ca 0.19 -0.05 -0.10 0.00 0.07 0.00 0.00 59.36 59.47 1njb h GLU 188 Cb 0.47 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1njb h GLU 188 CO -0.49 0.39 -1.04 -0.44 0.07 0.00 0.00 179.01 177.49 1njb h ASP 189 N 0.16 0.00 -1.04 3.06 3.32 -1.91 -3.39 116.42 116.61 1njb h ASP 189 Ca 0.03 0.00 0.27 0.00 0.02 0.00 0.00 57.03 57.35 1njb h ASP 189 Cb 0.48 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.92 1njb h ASP 189 CO 0.03 0.36 0.64 0.58 -1.72 0.00 0.00 179.24 179.13 1njb h VAL 190 N 0.00 0.48 -0.13 -1.35 2.07 -1.04 -1.86 116.25 114.42 1njb h VAL 190 Ca -0.08 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1njb h VAL 190 Cb 1.34 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1njb h VAL 190 CO 0.03 0.08 0.00 -2.65 0.02 0.00 0.00 177.57 175.05 1njb n PRO 191 N -4.78 1.49 -2.74 1.57 -0.02 -1.26 -3.77 135.00 125.48 1njb n PRO 191 Ca 0.27 -0.54 -0.05 0.00 -2.02 0.00 0.00 63.50 61.17 1njb n PRO 191 Cb 0.87 -1.32 0.04 0.00 -0.02 0.00 0.00 33.50 33.08 1njb n PRO 191 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1njb n THR 192 N -0.01 1.08 -4.52 3.45 -2.24 -0.70 -5.08 114.28 106.27 1njb n THR 192 Ca 0.05 -2.93 -0.23 0.00 -2.27 0.00 0.00 64.05 58.68 1njb n THR 192 Cb 0.24 0.98 -0.16 0.00 -2.10 0.00 0.00 70.33 69.29 1njb n THR 192 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1njb s MET 193 N -3.32 1.31 0.21 -0.78 -1.94 -1.25 -5.02 119.30 108.52 1njb s MET 193 Ca 0.27 -0.38 -0.11 0.00 -1.71 0.00 0.00 55.69 53.75 1njb s MET 193 Cb 0.39 -1.16 0.29 0.00 2.01 0.00 0.00 34.83 36.36 1njb s MET 193 CO -0.00 0.11 1.67 0.00 -0.01 0.00 0.00 175.02 176.79 1njb h ALA 194 N 6.55 0.62 -1.94 3.03 0.00 -1.96 -3.36 119.26 122.19 1njb h ALA 194 Ca -0.33 0.17 -0.28 0.00 0.00 0.00 0.00 54.91 54.47 1njb h ALA 194 Cb 1.17 0.28 -0.31 0.00 0.00 0.00 0.00 17.79 18.94 1njb h ALA 194 CO 0.48 -0.38 -0.61 -1.17 0.00 0.00 0.00 179.25 177.58 1njb s LEU 195 N -10.63 -0.43 0.55 0.00 1.98 -1.26 -5.14 118.68 103.76 1njb s LEU 195 Ca -0.13 -0.75 -0.21 0.00 -2.89 0.00 0.00 54.13 50.15 1njb s LEU 195 Cb 0.18 0.75 -0.05 0.00 0.66 0.00 0.00 46.19 47.73 1njb s LEU 195 CO 0.74 -0.35 1.23 -0.81 -1.89 0.00 0.00 176.35 175.26 1njb n PRO 196 N 5.15 1.42 -1.53 0.98 -0.04 -1.26 -4.85 135.00 134.87 1njb n PRO 196 Ca 0.01 0.53 -0.53 0.00 -0.04 0.00 0.00 63.50 63.47 1njb n PRO 196 Cb 0.47 -2.42 -0.06 0.00 -0.04 0.00 0.00 33.50 31.45 1njb n PRO 196 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1njb n PRO 197 N -0.97 0.59 -0.07 0.54 -0.02 -1.26 -4.94 135.00 128.87 1njb n PRO 197 Ca 0.12 0.21 -0.14 0.00 -2.02 0.00 0.00 63.50 61.66 1njb n PRO 197 Cb 0.45 -1.69 -0.13 0.00 -0.02 0.00 0.00 33.50 32.11 1njb n PRO 197 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1njb n HIS 199 N -4.59 4.79 -0.19 0.00 8.25 -1.26 -0.69 115.22 121.53 1njb n HIS 199 Ca -0.11 -3.09 -0.03 0.00 -0.26 0.00 0.00 57.72 54.23 1njb n HIS 199 Cb 0.50 -2.42 0.07 0.00 1.12 0.00 0.00 29.99 29.26 1njb n HIS 199 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1njb h THR 200 N 5.09 0.95 -2.27 1.59 2.02 -1.46 -3.43 112.91 115.41 1njb h THR 200 Ca 0.39 -0.19 0.10 0.00 0.77 0.00 0.00 66.41 67.48 1njb h THR 200 Cb 0.87 0.33 -0.16 0.00 -1.74 0.00 0.00 68.15 67.45 1njb h THR 200 CO 1.36 0.10 0.48 -1.48 0.37 0.00 0.00 175.52 176.36 1njb s LEU 201 N -10.27 -0.38 0.04 2.58 0.05 -1.21 -1.47 118.68 108.03 1njb s LEU 201 Ca -0.13 0.03 -0.00 0.00 0.05 0.00 0.00 54.13 54.08 1njb s LEU 201 Cb 0.15 2.04 -0.03 0.00 -2.05 0.00 0.00 46.19 46.30 1njb s LEU 201 CO 0.75 -0.62 -0.04 -0.72 -0.55 0.00 0.00 176.35 175.17 1njb s TYR 202 N -3.03 0.49 -0.02 3.48 1.13 -0.70 -1.21 117.35 117.49 1njb s TYR 202 Ca 0.04 -0.83 0.01 0.00 -1.41 0.00 0.00 57.07 54.88 1njb s TYR 202 Cb -0.01 -0.34 0.02 0.00 -1.10 0.00 0.00 41.96 40.53 1njb s TYR 202 CO -0.08 -0.27 -0.01 -1.14 -2.51 0.00 0.00 175.55 171.54 1njb s GLN 203 N -2.91 0.26 0.51 -3.49 0.74 -0.83 -1.75 119.66 112.19 1njb s GLN 203 Ca -0.01 0.03 0.02 0.00 0.05 0.00 0.00 55.36 55.45 1njb s GLN 203 Cb 0.00 -0.38 0.02 0.00 1.10 0.00 0.00 33.01 33.76 1njb s GLN 203 CO -0.06 -0.07 0.72 -0.06 -0.55 0.00 0.00 175.29 175.27 1njb s PHE 204 N 0.67 2.91 -0.30 1.67 0.08 -0.84 -1.92 117.98 120.25 1njb s PHE 204 Ca -0.07 -0.04 -0.09 0.00 0.12 0.00 0.00 56.93 56.85 1njb s PHE 204 Cb -0.10 -2.61 0.15 0.00 -0.57 0.00 0.00 43.02 39.90 1njb s PHE 204 CO -0.01 -0.70 0.71 -0.47 -0.10 0.00 0.00 175.22 174.65 1njb s TYR 205 N -2.65 -1.25 -0.77 0.36 6.14 -0.50 -4.72 117.35 113.95 1njb s TYR 205 Ca 0.55 1.94 -0.20 0.00 0.64 0.00 0.00 57.07 60.00 1njb s TYR 205 Cb -0.10 0.66 0.11 0.00 0.42 0.00 0.00 41.96 43.05 1njb s TYR 205 CO 0.37 -0.64 0.99 0.08 0.64 0.00 0.00 175.55 176.99 1njb s VAL 206 N 2.82 4.62 1.07 3.14 1.01 -1.25 -1.69 120.40 130.11 1njb s VAL 206 Ca 0.00 -1.06 -0.18 0.00 0.00 0.00 0.00 61.98 60.75 1njb s VAL 206 Cb -0.12 -4.69 0.24 0.00 0.00 0.00 0.00 36.38 31.81 1njb s VAL 206 CO -0.19 -1.42 1.24 0.54 0.00 0.00 0.00 175.10 175.27 1njb s ASN 207 N 3.61 2.16 -0.72 3.32 4.22 0.35 -4.75 114.94 123.13 1njb s ASN 207 Ca 0.25 0.39 -0.13 0.00 -2.14 0.00 0.00 52.86 51.23 1njb s ASN 207 Cb -0.12 -0.50 -0.20 0.00 1.28 0.00 0.00 41.25 41.71 1njb s ASN 207 CO 0.00 -3.33 1.93 -0.90 -2.04 0.00 0.00 177.10 172.75 1njb n ASP 208 N -4.19 -0.53 0.00 3.54 5.68 -1.26 -1.01 116.55 118.78 1njb n ASP 208 Ca 0.15 -1.21 0.00 0.00 -0.50 0.00 0.00 54.79 53.22 1njb n ASP 208 Cb 0.59 -0.95 0.00 0.00 -1.14 0.00 0.00 41.12 39.62 1njb n ASP 208 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1njb n GLY 209 N 5.63 0.64 3.26 6.12 0.00 -1.26 -5.02 105.19 114.55 1njb n GLY 209 Ca 0.43 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.19 1njb n GLY 209 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1njb s LYS 210 N -0.26 1.52 -0.18 1.61 1.02 -0.18 -2.45 119.74 120.81 1njb s LYS 210 Ca 0.00 -0.94 -0.09 0.00 0.02 0.00 0.00 55.97 54.96 1njb s LYS 210 Cb 0.00 -1.62 -0.05 0.00 -0.52 0.00 0.00 37.83 35.65 1njb s LYS 210 CO 0.00 0.42 0.12 -1.17 -0.92 0.00 0.00 175.35 173.80 1njb s LEU 211 N -1.07 4.16 0.17 3.17 2.96 -1.05 -0.50 118.68 126.51 1njb s LEU 211 Ca 0.08 0.24 0.09 0.00 -0.22 0.00 0.00 54.13 54.32 1njb s LEU 211 Cb -0.09 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 1njb s LEU 211 CO 0.01 0.22 -0.19 -0.44 -1.32 0.00 0.00 176.35 174.64 1njb s SER 212 N 0.12 2.73 -0.02 3.68 0.01 -0.68 -0.72 113.70 118.81 1njb s SER 212 Ca 0.08 -0.86 0.01 0.00 1.31 0.00 0.00 55.95 56.49 1njb s SER 212 Cb -0.11 -0.16 0.02 0.00 0.21 0.00 0.00 66.02 65.97 1njb s SER 212 CO -0.01 -0.03 -0.02 -0.22 0.41 0.00 0.00 173.24 173.38 1njb s LEU 213 N -2.67 1.46 -0.04 2.44 0.20 -0.50 -1.41 118.68 118.15 1njb s LEU 213 Ca 0.16 -0.05 0.05 0.00 0.69 0.00 0.00 54.13 54.99 1njb s LEU 213 Cb -0.06 -0.23 -0.02 0.00 -0.43 0.00 0.00 46.19 45.45 1njb s LEU 213 CO 0.07 -0.05 -0.21 -1.58 -0.29 0.00 0.00 176.35 174.29 1njb s GLN 214 N 0.64 2.42 -0.01 1.98 0.74 -0.81 -0.42 119.66 124.20 1njb s GLN 214 Ca -0.07 -0.82 0.07 0.00 0.05 0.00 0.00 55.36 54.59 1njb s GLN 214 Cb -0.10 -2.23 -0.02 0.00 1.10 0.00 0.00 33.01 31.76 1njb s GLN 214 CO -0.01 0.53 -0.21 -1.17 -0.55 0.00 0.00 175.29 173.88 1njb s LEU 215 N -0.51 2.38 -0.32 3.68 0.20 0.79 -1.96 118.68 122.93 1njb s LEU 215 Ca 0.07 -0.39 0.02 0.00 0.69 0.00 0.00 54.13 54.51 1njb s LEU 215 Cb -0.11 -1.43 0.08 0.00 -0.43 0.00 0.00 46.19 44.30 1njb s LEU 215 CO 0.01 0.31 0.03 -0.47 -0.29 0.00 0.00 176.35 175.94 1njb s TYR 216 N -0.73 3.52 -0.42 5.38 5.04 -0.35 -1.27 117.35 128.53 1njb s TYR 216 Ca 0.11 -2.53 -0.12 0.00 -2.44 0.00 0.00 57.07 52.09 1njb s TYR 216 Cb -0.10 -2.58 0.05 0.00 0.35 0.00 0.00 41.96 39.68 1njb s TYR 216 CO 0.01 -0.91 0.29 -1.14 -1.34 0.00 0.00 175.55 172.46 1njb s GLN 217 N 1.06 2.83 0.53 4.97 0.74 -0.60 -1.48 119.66 127.71 1njb s GLN 217 Ca 0.03 -1.25 0.23 0.00 0.05 0.00 0.00 55.36 54.41 1njb s GLN 217 Cb -0.20 -3.90 1.46 0.00 1.10 0.00 0.00 33.01 31.48 1njb s GLN 217 CO -0.05 -0.87 2.15 0.07 -0.55 0.00 0.00 175.29 176.04 1njb h ARG 218 N 8.55 0.00 -3.05 1.67 -0.00 -1.21 -2.62 114.38 117.73 1njb h ARG 218 Ca -0.26 0.00 -0.22 0.00 -0.00 0.00 0.00 59.98 59.50 1njb h ARG 218 Cb 1.10 0.00 -0.31 0.00 -0.00 0.00 0.00 29.97 30.76 1njb h ARG 218 CO 0.76 0.05 -0.53 0.45 -0.00 0.00 0.00 179.97 180.70 1njb s SER 219 N -6.57 -0.01 0.13 0.08 0.15 -1.26 -0.99 113.70 105.23 1njb s SER 219 Ca -0.04 0.47 0.06 0.00 0.70 0.00 0.00 55.95 57.14 1njb s SER 219 Cb 0.15 0.41 -0.04 0.00 -1.71 0.00 0.00 66.02 64.83 1njb s SER 219 CO 0.61 -0.18 -0.13 0.00 1.20 0.00 0.00 173.24 174.74 1njb s ALA 220 N 1.57 1.52 -0.32 5.45 0.00 -0.86 -4.86 121.76 124.27 1njb s ALA 220 Ca -0.06 -1.35 0.03 0.00 0.00 0.00 0.00 51.96 50.58 1njb s ALA 220 Cb -0.11 -0.06 0.09 0.00 0.00 0.00 0.00 23.12 23.04 1njb s ALA 220 CO -0.08 0.07 0.00 0.34 0.00 0.00 0.00 175.76 176.09 1njb s ASP 221 N -2.62 4.69 0.24 0.00 -1.08 -1.26 -1.35 116.67 115.30 1njb s ASP 221 Ca 0.11 -1.86 -0.05 0.00 -0.52 0.00 0.00 52.55 50.23 1njb s ASP 221 Cb -0.03 -1.62 0.46 0.00 -1.46 0.00 0.00 42.92 40.26 1njb s ASP 221 CO 0.03 -0.32 1.71 0.40 0.52 0.00 0.00 175.17 177.51 1njb h ILE 222 N 6.65 0.61 0.23 4.11 5.03 -1.38 -1.64 117.51 131.12 1njb h ILE 222 Ca -0.10 -0.13 -0.01 0.00 -0.12 0.00 0.00 64.86 64.50 1njb h ILE 222 Cb 1.03 0.20 0.00 0.00 -3.03 0.00 0.00 36.82 35.02 1njb h ILE 222 CO 0.51 0.07 -0.11 0.15 -0.68 0.00 0.00 178.15 178.09 1njb h PHE 223 N 0.38 -0.29 0.02 1.37 3.57 -1.95 -3.35 116.94 116.69 1njb h PHE 223 Ca 0.41 -0.01 -0.31 0.00 3.53 0.00 0.00 57.97 61.59 1njb h PHE 223 Cb 0.65 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.44 1njb h PHE 223 CO -0.20 0.09 -1.82 1.28 -2.23 0.00 0.00 178.31 175.42 1njb n LEU 224 N -4.99 1.14 -0.13 0.59 4.77 -1.23 -4.64 117.00 112.51 1njb n LEU 224 Ca -0.08 0.34 -0.22 0.00 -0.03 0.00 0.00 56.01 56.02 1njb n LEU 224 Cb 0.25 -0.04 -0.11 0.00 -2.33 0.00 0.00 43.42 41.20 1njb n LEU 224 CO 0.24 0.48 -1.36 0.61 -1.33 0.00 0.00 177.39 176.04 1njb n GLY 225 N 1.66 -0.38 0.40 -0.72 0.00 -0.92 -4.49 105.19 100.73 1njb n GLY 225 Ca -0.21 -0.15 0.19 0.00 0.00 0.00 0.00 46.02 45.85 1njb n GLY 225 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1njb h VAL 226 N -0.44 0.67 -0.04 1.61 2.07 -1.45 0.59 116.25 119.26 1njb h VAL 226 Ca -0.61 -0.15 -0.10 0.00 0.82 0.00 0.00 66.70 66.66 1njb h VAL 226 Cb 1.73 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1njb h VAL 226 CO -0.23 0.08 -0.44 -0.65 0.02 0.00 0.00 177.57 176.35 1njb h PRO 227 N 0.44 0.09 0.07 1.57 0.11 -1.81 -2.14 132.00 130.33 1njb h PRO 227 Ca 0.49 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.56 1njb h PRO 227 Cb 1.17 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1njb h PRO 227 CO -0.20 0.51 -0.03 0.74 -0.21 0.00 0.00 178.00 178.80 1njb h PHE 228 N 0.07 -0.09 -0.71 0.65 -1.00 -1.17 -3.34 116.94 111.36 1njb h PHE 228 Ca 0.00 -0.00 0.08 0.00 2.81 0.00 0.00 57.97 60.86 1njb h PHE 228 Cb 0.80 0.03 -0.07 0.00 3.61 0.00 0.00 35.95 40.33 1njb h PHE 228 CO 0.01 0.49 0.37 0.00 -1.61 0.00 0.00 178.31 177.56 1njb h ILE 230 N 0.64 0.76 0.08 0.00 2.04 -1.53 -2.29 117.51 117.21 1njb h ILE 230 Ca 0.34 -0.14 -0.30 0.00 1.00 0.00 0.00 64.86 65.76 1njb h ILE 230 Cb 0.31 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1njb h ILE 230 CO -0.24 0.07 -1.58 0.00 0.00 0.00 0.00 178.15 176.40 1njb h ALA 231 N 1.63 0.43 -0.72 1.87 0.00 -1.35 -2.09 119.26 119.03 1njb h ALA 231 Ca 0.39 -1.22 0.08 0.00 0.00 0.00 0.00 54.91 54.17 1njb h ALA 231 Cb 0.95 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 1njb h ALA 231 CO -0.13 1.29 0.38 0.77 0.00 0.00 0.00 179.25 181.55 1njb h SER 232 N 0.05 0.52 0.43 0.00 0.02 -0.75 -0.65 113.55 113.16 1njb h SER 232 Ca -0.25 0.05 -0.29 0.00 -0.84 0.00 0.00 61.79 60.45 1njb h SER 232 Cb 1.99 -0.04 0.02 0.00 0.14 0.00 0.00 62.40 64.51 1njb h SER 232 CO 0.13 0.31 -1.30 1.88 -1.14 0.00 0.00 176.83 176.71 1njb h TYR 233 N 0.65 0.73 -0.14 3.45 0.05 -1.58 0.60 116.97 120.74 1njb h TYR 233 Ca 0.34 -0.51 -0.07 0.00 0.05 0.00 0.00 58.73 58.54 1njb h TYR 233 Cb 0.32 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.01 1njb h TYR 233 CO -0.09 1.39 -0.23 0.00 -1.05 0.00 0.00 178.16 178.17 1njb h ALA 234 N 0.42 1.35 -0.06 3.88 0.00 -1.32 0.68 119.26 124.21 1njb h ALA 234 Ca -0.18 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1njb h ALA 234 Cb 2.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.70 1njb h ALA 234 CO 0.23 0.45 -0.04 1.25 0.00 0.00 0.00 179.25 181.14 1njb h LEU 235 N 0.23 0.13 -1.25 0.00 6.46 -0.95 -2.90 115.31 117.02 1njb h LEU 235 Ca 0.04 -0.43 0.03 0.00 -0.12 0.00 0.00 57.88 57.40 1njb h LEU 235 Cb 0.54 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.39 1njb h LEU 235 CO 0.04 0.54 0.52 0.25 -0.62 0.00 0.00 178.44 179.17 1njb h LEU 236 N -0.27 0.84 -1.19 2.25 6.46 -0.51 -0.88 115.31 122.00 1njb h LEU 236 Ca 0.01 -0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.79 1njb h LEU 236 Cb 0.49 -0.19 -0.05 0.00 -0.73 0.00 0.00 40.66 40.18 1njb h LEU 236 CO 0.01 0.58 0.55 0.74 -0.62 0.00 0.00 178.44 179.70 1njb h THR 237 N 0.97 1.15 0.06 1.05 2.02 -0.73 -0.73 112.91 116.71 1njb h THR 237 Ca 0.32 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1njb h THR 237 Cb 0.05 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.46 1njb h THR 237 CO -0.09 0.19 -0.03 0.45 0.37 0.00 0.00 175.52 176.41 1njb h HIS 238 N 1.06 -0.08 -0.33 3.16 3.86 -1.15 -1.38 115.15 120.30 1njb h HIS 238 Ca 0.33 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.61 1njb h HIS 238 Cb -0.00 0.03 -0.08 0.00 1.06 0.00 0.00 27.41 28.41 1njb h HIS 238 CO -0.00 0.49 -0.34 -0.07 0.86 0.00 0.00 177.93 178.87 1njb h LEU 239 N -0.75 -1.13 0.12 2.43 3.38 -0.96 0.27 115.31 118.68 1njb h LEU 239 Ca -0.01 0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1njb h LEU 239 Cb 0.61 0.51 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1njb h LEU 239 CO 0.01 -0.34 -0.06 0.58 0.09 0.00 0.00 178.44 178.72 1njb h VAL 240 N -0.31 0.88 0.00 1.22 2.07 -1.23 -0.73 116.25 118.16 1njb h VAL 240 Ca 0.15 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1njb h VAL 240 Cb 0.55 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1njb h VAL 240 CO -0.50 0.00 0.19 0.00 0.02 0.00 0.00 177.57 177.29 1njb h ALA 241 N 0.71 1.16 0.12 1.67 0.00 -0.33 -0.93 119.26 121.65 1njb h ALA 241 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1njb h ALA 241 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1njb h ALA 241 CO 0.03 -0.16 -0.06 1.25 0.00 0.00 0.00 179.25 180.31 1njb h HIS 242 N 0.00 -0.15 -0.50 0.00 6.17 0.10 -1.24 115.15 119.53 1njb h HIS 242 Ca 0.00 -0.00 0.04 0.00 0.71 0.00 0.00 60.37 61.12 1njb h HIS 242 Cb 0.39 0.05 -0.04 0.00 2.52 0.00 0.00 27.41 30.32 1njb h HIS 242 CO 0.00 0.04 0.26 1.49 0.71 0.00 0.00 177.93 180.42 1njb h GLU 243 N -1.02 0.49 0.00 5.26 4.81 -0.79 -2.52 114.58 120.81 1njb h GLU 243 Ca -0.02 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1njb h GLU 243 Cb 0.26 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1njb h GLU 243 CO 0.03 0.32 0.00 0.00 -0.73 0.00 0.00 179.01 178.63 1njb n GLY 245 N 0.64 0.63 3.91 0.00 0.00 -0.95 -4.96 105.19 104.46 1njb n GLY 245 Ca 0.10 -0.82 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 1njb n GLY 245 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1njb s LEU 246 N -1.13 4.04 1.04 0.99 1.43 -0.48 -5.04 118.68 119.53 1njb s LEU 246 Ca 0.00 -0.12 -0.17 0.00 -1.03 0.00 0.00 54.13 52.81 1njb s LEU 246 Cb 0.00 -2.60 0.23 0.00 0.03 0.00 0.00 46.19 43.85 1njb s LEU 246 CO 0.00 -0.11 1.29 -0.70 0.23 0.00 0.00 176.35 177.05 1njb s GLU 247 N -3.95 0.03 -0.08 1.70 2.12 -1.03 -4.50 118.70 113.00 1njb s GLU 247 Ca 0.35 -0.39 0.05 0.00 0.36 0.00 0.00 54.97 55.34 1njb s GLU 247 Cb -0.08 -1.77 -0.01 0.00 0.26 0.00 0.00 34.13 32.53 1njb s GLU 247 CO 0.27 -2.83 -0.23 0.54 -0.54 0.00 0.00 175.26 172.47 1njb s VAL 248 N -3.71 2.16 0.00 3.70 0.11 -1.26 -2.54 120.40 118.86 1njb s VAL 248 Ca 0.74 -1.01 0.00 0.00 -2.93 0.00 0.00 61.98 58.79 1njb s VAL 248 Cb -0.04 -1.81 0.00 0.00 -1.53 0.00 0.00 36.38 33.00 1njb s VAL 248 CO 0.54 0.56 0.00 0.61 -3.33 0.00 0.00 175.10 173.48 1njb n GLY 249 N 3.19 0.39 3.48 6.54 0.00 0.11 -4.22 105.19 114.67 1njb n GLY 249 Ca -0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 1njb n GLY 249 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1njb s GLU 250 N 2.07 1.69 -0.21 1.61 2.02 -1.25 -1.37 118.70 123.26 1njb s GLU 250 Ca 0.00 -1.78 -0.00 0.00 0.02 0.00 0.00 54.97 53.21 1njb s GLU 250 Cb 0.00 -1.77 0.02 0.00 0.10 0.00 0.00 34.13 32.48 1njb s GLU 250 CO 0.00 0.32 -0.13 0.12 0.02 0.00 0.00 175.26 175.59 1njb s PHE 251 N -2.51 2.93 -0.27 1.61 5.36 0.63 -1.41 117.98 124.32 1njb s PHE 251 Ca 0.30 -1.61 -0.04 0.00 -0.96 0.00 0.00 56.93 54.62 1njb s PHE 251 Cb -0.05 -1.98 0.01 0.00 -0.34 0.00 0.00 43.02 40.67 1njb s PHE 251 CO 0.15 -0.76 0.01 0.42 -1.46 0.00 0.00 175.22 173.58 1njb s ILE 252 N 1.30 3.48 -0.24 3.12 1.01 0.44 -0.03 121.20 130.29 1njb s ILE 252 Ca 0.02 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 59.79 1njb s ILE 252 Cb -0.15 -2.77 -0.03 0.00 0.01 0.00 0.00 42.46 39.52 1njb s ILE 252 CO -0.09 0.16 0.08 -2.28 0.00 0.00 0.00 174.94 172.81 1njb s HIS 253 N 1.43 3.11 -0.09 3.97 2.46 0.17 -0.15 115.29 126.20 1njb s HIS 253 Ca 0.02 -0.31 0.05 0.00 0.47 0.00 0.00 55.06 55.29 1njb s HIS 253 Cb -0.17 -2.22 -0.00 0.00 -0.13 0.00 0.00 32.58 30.06 1njb s HIS 253 CO -0.01 -0.27 -0.24 0.99 -2.47 0.00 0.00 174.74 172.74 1njb s THR 254 N 1.44 2.04 0.04 0.89 2.01 -0.39 -0.17 115.64 121.49 1njb s THR 254 Ca 0.06 -1.02 0.08 0.00 0.31 0.00 0.00 61.69 61.11 1njb s THR 254 Cb -0.15 -1.75 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 1njb s THR 254 CO 0.04 0.56 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.95 1njb s PHE 255 N 0.18 2.44 0.00 4.92 0.40 0.14 -1.56 117.98 124.50 1njb s PHE 255 Ca -0.14 -0.33 0.00 0.00 -0.60 0.00 0.00 56.93 55.86 1njb s PHE 255 Cb -0.17 -1.43 0.00 0.00 0.51 0.00 0.00 43.02 41.93 1njb s PHE 255 CO 0.07 0.18 0.00 0.41 0.70 0.00 0.00 175.22 176.59 1njb n GLY 256 N 1.70 1.19 3.42 4.36 0.00 -0.99 -1.72 105.19 113.16 1njb n GLY 256 Ca -0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.42 1njb n GLY 256 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1njb s ASP 257 N -1.00 6.20 -0.31 1.61 2.15 -0.16 -0.18 116.67 124.99 1njb s ASP 257 Ca 0.00 -1.12 -0.13 0.00 0.43 0.00 0.00 52.55 51.74 1njb s ASP 257 Cb 0.00 -2.33 -0.03 0.00 -0.30 0.00 0.00 42.92 40.26 1njb s ASP 257 CO 0.00 -1.11 0.24 0.00 -0.17 0.00 0.00 175.17 174.13 1njb s ALA 258 N 3.01 3.52 0.25 3.66 0.00 -0.90 -2.03 121.76 129.26 1njb s ALA 258 Ca 0.16 -1.20 0.10 0.00 0.00 0.00 0.00 51.96 51.02 1njb s ALA 258 Cb -0.20 -2.61 -0.05 0.00 0.00 0.00 0.00 23.12 20.25 1njb s ALA 258 CO 0.10 -0.79 -0.17 -3.38 0.00 0.00 0.00 175.76 171.52 1njb s HIS 259 N 1.80 2.03 -0.12 0.00 -3.43 -0.46 -2.33 115.29 112.79 1njb s HIS 259 Ca 0.08 -0.45 -0.01 0.00 -0.80 0.00 0.00 55.06 53.89 1njb s HIS 259 Cb -0.17 -0.91 0.03 0.00 -1.43 0.00 0.00 32.58 30.10 1njb s HIS 259 CO 0.11 0.55 -0.06 -1.17 -2.00 0.00 0.00 174.74 172.17 1njb s LEU 260 N -3.42 1.19 0.63 5.38 2.96 -0.66 -0.86 118.68 123.90 1njb s LEU 260 Ca 0.27 -0.36 -0.16 0.00 -0.22 0.00 0.00 54.13 53.66 1njb s LEU 260 Cb -0.03 -0.80 -0.01 0.00 0.50 0.00 0.00 46.19 45.85 1njb s LEU 260 CO 0.11 -0.15 1.12 -0.31 -1.32 0.00 0.00 176.35 175.81 1njb s TYR 261 N 1.73 2.59 0.01 5.38 2.02 -1.26 -1.84 117.35 125.98 1njb s TYR 261 Ca 0.04 1.55 -0.04 0.00 -0.37 0.00 0.00 57.07 58.25 1njb s TYR 261 Cb -0.13 -3.23 -0.02 0.00 -0.40 0.00 0.00 41.96 38.18 1njb s TYR 261 CO -0.08 -1.73 1.06 0.28 -1.57 0.00 0.00 175.55 173.51 1njb h VAL 262 N 0.34 0.00 0.00 0.71 2.07 -1.35 -2.54 116.25 115.48 1njb h VAL 262 Ca -0.48 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1njb h VAL 262 Cb 1.25 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1njb h VAL 262 CO 0.55 0.00 0.00 -0.46 0.02 0.00 0.00 177.57 177.68 1njb n ASN 263 N -2.70 0.22 -0.00 0.57 6.94 -1.26 -1.09 115.26 117.94 1njb n ASN 263 Ca -0.01 -0.44 0.03 0.00 -0.02 0.00 0.00 54.58 54.14 1njb n ASN 263 Cb 0.05 -0.11 -0.04 0.00 -2.36 0.00 0.00 39.78 37.32 1njb n ASN 263 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1njb n HIS 264 N 0.38 0.00 -0.26 -2.53 8.25 -0.96 -4.77 115.22 115.33 1njb n HIS 264 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 1njb n HIS 264 Cb 0.05 -0.03 0.04 0.00 1.12 0.00 0.00 29.99 31.17 1njb n HIS 264 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1njb h LEU 265 N 0.00 -1.10 -1.14 2.41 -0.00 -1.15 -1.69 115.31 112.64 1njb h LEU 265 Ca 0.00 0.25 0.01 0.00 -0.00 0.00 0.00 57.88 58.14 1njb h LEU 265 Cb 0.17 0.59 -0.04 0.00 -0.00 0.00 0.00 40.66 41.38 1njb h LEU 265 CO 0.00 -0.29 0.58 0.44 -0.00 0.00 0.00 178.44 179.17 1njb h ASP 266 N -0.09 1.00 0.36 -0.43 5.19 -1.86 -1.62 116.42 118.97 1njb h ASP 266 Ca 0.30 -0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.66 1njb h ASP 266 Cb 0.57 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.83 1njb h ASP 266 CO -0.78 0.72 -0.17 1.56 -3.12 0.00 0.00 179.24 177.44 1njb h GLN 267 N 1.17 -0.47 -0.96 3.56 7.50 -1.67 -1.86 115.11 122.40 1njb h GLN 267 Ca 0.33 0.03 0.04 0.00 0.50 0.00 0.00 58.65 59.55 1njb h GLN 267 Cb -0.11 0.11 -0.06 0.00 0.05 0.00 0.00 27.48 27.47 1njb h GLN 267 CO -0.08 -0.16 0.62 0.97 -1.50 0.00 0.00 178.83 178.68 1njb h ILE 268 N -0.78 1.15 -0.63 2.54 6.09 -1.40 0.33 117.51 124.81 1njb h ILE 268 Ca -0.05 -0.41 0.07 0.00 -1.37 0.00 0.00 64.86 63.10 1njb h ILE 268 Cb 0.52 -0.15 -0.04 0.00 0.47 0.00 0.00 36.82 37.62 1njb h ILE 268 CO 0.08 0.22 0.42 0.50 -3.07 0.00 0.00 178.15 176.30 1njb h LYS 269 N 1.20 0.57 0.23 2.19 1.63 -1.26 -1.44 116.57 119.68 1njb h LYS 269 Ca 0.38 -0.03 -0.31 0.00 -0.85 0.00 0.00 60.65 59.84 1njb h LYS 269 Cb 0.02 -0.13 0.03 0.00 -0.60 0.00 0.00 32.23 31.56 1njb h LYS 269 CO -0.13 0.38 -1.39 1.49 -3.45 0.00 0.00 179.45 176.35 1njb h GLU 270 N 0.59 0.49 -0.73 1.90 4.22 -0.04 -3.31 114.58 117.70 1njb h GLU 270 Ca 0.28 -0.83 0.09 0.00 0.08 0.00 0.00 59.36 58.97 1njb h GLU 270 Cb 0.33 0.31 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 1njb h GLU 270 CO -0.08 1.40 0.48 0.37 -2.18 0.00 0.00 179.01 178.99 1njb h GLN 271 N 0.05 0.62 0.00 1.92 4.15 0.54 -0.43 115.11 121.96 1njb h GLN 271 Ca -0.25 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.14 1njb h GLN 271 Cb 2.07 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 29.62 1njb h GLN 271 CO 0.25 0.41 0.00 -0.07 -1.93 0.00 0.00 178.83 177.48 1njb h LEU 272 N 0.64 0.00 -1.60 -2.39 -0.00 -1.40 -2.15 115.31 108.41 1njb h LEU 272 Ca 0.33 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 58.17 1njb h LEU 272 Cb 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.11 1njb h LEU 272 CO -0.12 0.00 -0.21 0.28 -0.00 0.00 0.00 178.44 178.39 1njb h SER 273 N 0.00 0.00 -4.03 -0.43 0.02 -1.21 -3.45 113.55 104.45 1njb h SER 273 Ca 0.00 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.49 1njb h SER 273 Cb 0.15 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 1njb h SER 273 CO 0.00 0.21 0.36 -0.13 -1.14 0.00 0.00 176.83 176.13 1njb s ARG 274 N -4.19 4.15 -0.36 3.45 0.52 -0.81 -5.05 118.95 116.65 1njb s ARG 274 Ca -0.03 1.26 -0.12 0.00 -0.52 0.00 0.00 55.73 56.32 1njb s ARG 274 Cb 0.14 -2.27 0.01 0.00 0.52 0.00 0.00 34.95 33.35 1njb s ARG 274 CO 0.65 -0.11 0.22 0.99 0.02 0.00 0.00 175.30 177.06 1njb s THR 275 N -2.00 4.80 0.40 0.02 2.01 -1.26 -5.05 115.64 114.56 1njb s THR 275 Ca 0.62 -0.64 -0.22 0.00 0.31 0.00 0.00 61.69 61.76 1njb s THR 275 Cb -0.14 -3.60 -0.15 0.00 0.01 0.00 0.00 72.50 68.62 1njb s THR 275 CO 0.18 -0.15 0.21 -2.65 -0.69 0.00 0.00 174.62 171.52 1njb n PRO 276 N 5.04 0.12 -4.21 4.92 -0.02 -1.26 -4.93 135.00 134.66 1njb n PRO 276 Ca -0.12 0.05 -0.24 0.00 -2.02 0.00 0.00 63.50 61.17 1njb n PRO 276 Cb 0.47 -1.11 -0.07 0.00 -0.02 0.00 0.00 33.50 32.77 1njb n PRO 276 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1njb s ARG 277 N -1.14 2.26 0.21 -0.52 0.52 -1.26 -5.05 118.95 113.97 1njb s ARG 277 Ca 0.61 -1.60 -0.32 0.00 -0.52 0.00 0.00 55.73 53.90 1njb s ARG 277 Cb -0.64 -2.09 -0.14 0.00 0.52 0.00 0.00 34.95 32.60 1njb s ARG 277 CO 0.61 0.16 1.48 -2.30 0.02 0.00 0.00 175.30 175.27 1njb n PRO 278 N -1.04 2.10 -2.08 3.54 -0.02 -1.26 -4.86 135.00 131.39 1njb n PRO 278 Ca -0.04 0.75 -0.34 0.00 -2.02 0.00 0.00 63.50 61.85 1njb n PRO 278 Cb 0.61 -2.46 0.02 0.00 -0.02 0.00 0.00 33.50 31.65 1njb n PRO 278 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1njb s ALA 279 N 0.32 2.62 1.00 3.55 0.00 -1.26 -4.68 121.76 123.31 1njb s ALA 279 Ca 0.72 0.72 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1njb s ALA 279 Cb -0.66 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.12 1njb s ALA 279 CO 0.45 -0.95 0.00 -0.35 0.00 0.00 0.00 175.76 174.91 1njb n PRO 280 N -1.71 1.13 -3.66 0.00 -0.04 -1.26 -4.73 135.00 124.73 1njb n PRO 280 Ca 0.11 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.49 1njb n PRO 280 Cb 0.51 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.88 1njb n PRO 280 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1njb s THR 281 N 0.00 -0.54 0.08 0.52 2.01 0.75 -3.60 115.64 114.86 1njb s THR 281 Ca 0.00 0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.82 1njb s THR 281 Cb 0.00 -0.71 -0.05 0.00 0.01 0.00 0.00 72.50 71.74 1njb s THR 281 CO 0.00 0.05 1.02 -0.22 -0.69 0.00 0.00 174.62 174.78 1njb s LEU 282 N 2.37 4.44 -0.08 4.42 2.96 -1.26 -0.88 118.68 130.64 1njb s LEU 282 Ca -0.04 1.83 0.03 0.00 -0.22 0.00 0.00 54.13 55.73 1njb s LEU 282 Cb -0.11 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 43.00 1njb s LEU 282 CO -0.14 -0.21 -0.18 -1.58 -1.32 0.00 0.00 176.35 172.92 1njb s GLN 283 N 0.42 2.37 0.16 1.98 0.74 0.72 -4.96 119.66 121.09 1njb s GLN 283 Ca 0.51 -0.64 0.09 0.00 0.05 0.00 0.00 55.36 55.36 1njb s GLN 283 Cb -0.24 -1.86 -0.04 0.00 1.10 0.00 0.00 33.01 31.97 1njb s GLN 283 CO 0.30 0.09 -0.11 -0.51 -0.55 0.00 0.00 175.29 174.51 1njb s LEU 284 N 0.54 2.94 -0.18 3.68 1.43 -1.26 -0.31 118.68 125.53 1njb s LEU 284 Ca -0.16 -0.55 -0.28 0.00 -1.03 0.00 0.00 54.13 52.10 1njb s LEU 284 Cb -0.17 -1.66 -0.06 0.00 0.03 0.00 0.00 46.19 44.33 1njb s LEU 284 CO 0.06 0.12 2.19 -3.20 0.23 0.00 0.00 176.35 175.75 1njb n ASN 285 N 0.22 3.40 0.09 2.29 2.85 -0.16 -4.83 115.26 119.12 1njb n ASN 285 Ca -0.12 0.31 0.11 0.00 -0.11 0.00 0.00 54.58 54.78 1njb n ASN 285 Cb 0.55 -1.55 0.45 0.00 1.24 0.00 0.00 39.78 40.47 1njb n ASN 285 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1njb n PRO 286 N 8.57 0.16 -0.07 1.20 -0.02 -1.26 -3.51 135.00 140.08 1njb n PRO 286 Ca 0.28 0.32 -0.12 0.00 -2.02 0.00 0.00 63.50 61.96 1njb n PRO 286 Cb 0.44 -1.77 -0.11 0.00 -0.02 0.00 0.00 33.50 32.04 1njb n PRO 286 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1njb h ASP 287 N 0.00 0.00 -3.96 2.55 3.32 -2.01 -3.45 116.42 112.87 1njb h ASP 287 Ca 0.00 -0.82 -0.47 0.00 0.02 0.00 0.00 57.03 55.76 1njb h ASP 287 Cb 0.43 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 1njb h ASP 287 CO 0.00 0.94 0.37 -0.75 -1.72 0.00 0.00 179.24 178.08 1njb s LYS 288 N -2.12 4.31 0.00 3.56 2.20 -1.23 -4.94 119.74 121.52 1njb s LYS 288 Ca -0.16 1.36 0.00 0.00 -0.36 0.00 0.00 55.97 56.81 1njb s LYS 288 Cb -0.02 -2.55 0.00 0.00 -1.51 0.00 0.00 37.83 33.75 1njb s LYS 288 CO 0.58 0.02 0.00 0.72 -0.36 0.00 0.00 175.35 176.31 1njb n HIS 289 N 0.01 0.00 -2.02 4.03 8.25 -1.26 -4.81 115.22 119.41 1njb n HIS 289 Ca 0.04 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.17 1njb n HIS 289 Cb 0.51 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.57 1njb n HIS 289 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1njb n ASP 290 N -0.71 3.36 -0.45 0.41 -0.08 -1.26 -4.26 116.55 113.56 1njb n ASP 290 Ca 0.00 -2.74 0.37 0.00 -1.51 0.00 0.00 54.79 50.91 1njb n ASP 290 Cb 0.08 -1.65 0.66 0.00 2.34 0.00 0.00 41.12 42.55 1njb n ASP 290 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 1njb h ILE 291 N 5.75 0.19 0.00 5.18 3.07 -1.92 0.37 117.51 130.16 1njb h ILE 291 Ca 0.30 -0.04 -0.00 0.00 1.55 0.00 0.00 64.86 66.67 1njb h ILE 291 Cb 0.88 0.07 -0.00 0.00 -0.27 0.00 0.00 36.82 37.50 1njb h ILE 291 CO 1.39 0.02 -0.01 -0.26 -1.05 0.00 0.00 178.15 178.24 1njb h PHE 292 N 0.11 0.00 -0.56 0.16 0.04 -1.90 -1.37 116.94 113.41 1njb h PHE 292 Ca 0.78 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 61.20 1njb h PHE 292 Cb 2.56 0.00 -0.22 0.00 2.20 0.00 0.00 35.95 40.50 1njb h PHE 292 CO -0.00 0.01 -0.11 -0.25 -0.60 0.00 0.00 178.31 177.35 1njb n ASP 293 N -3.28 3.86 -4.92 2.17 8.00 0.13 -4.66 116.55 117.85 1njb n ASP 293 Ca -0.03 -3.78 -0.27 0.00 0.71 0.00 0.00 54.79 51.42 1njb n ASP 293 Cb 0.10 -0.62 0.03 0.00 -0.02 0.00 0.00 41.12 40.61 1njb n ASP 293 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1njb s PHE 294 N -3.43 3.24 0.03 1.24 0.40 -0.52 -4.96 117.98 113.98 1njb s PHE 294 Ca 0.50 0.65 -0.04 0.00 -0.60 0.00 0.00 56.93 57.44 1njb s PHE 294 Cb 0.43 -2.79 -0.01 0.00 0.51 0.00 0.00 43.02 41.16 1njb s PHE 294 CO 0.01 -0.88 0.07 0.34 0.70 0.00 0.00 175.22 175.46 1njb s ASP 295 N -4.32 0.20 0.11 1.36 2.15 -1.26 -5.05 116.67 109.86 1njb s ASP 295 Ca 0.55 -0.55 -0.12 0.00 0.43 0.00 0.00 52.55 52.85 1njb s ASP 295 Cb -0.11 0.21 0.06 0.00 -0.30 0.00 0.00 42.92 42.78 1njb s ASP 295 CO 0.45 -0.48 0.81 0.23 -0.17 0.00 0.00 175.17 176.02 1njb n MET 296 N 0.87 -0.17 -0.38 4.34 2.81 -1.26 0.69 117.12 124.02 1njb n MET 296 Ca -0.19 0.80 0.36 0.00 -1.81 0.00 0.00 57.70 56.86 1njb n MET 296 Cb 0.58 -1.19 0.73 0.00 -0.71 0.00 0.00 33.22 32.63 1njb n MET 296 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1njb h LYS 297 N 0.00 0.05 0.00 0.03 3.64 -2.04 -1.03 116.57 117.23 1njb h LYS 297 Ca 0.14 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1njb h LYS 297 Cb 0.27 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1njb h LYS 297 CO -0.51 0.03 0.00 -0.25 -2.27 0.00 0.00 179.45 176.45 1njb n ASP 298 N -4.23 0.00 -4.36 4.20 8.00 0.22 -4.76 116.55 115.62 1njb n ASP 298 Ca 0.29 -0.48 -0.29 0.00 0.71 0.00 0.00 54.79 55.01 1njb n ASP 298 Cb 1.32 -0.11 -0.14 0.00 -0.02 0.00 0.00 41.12 42.17 1njb n ASP 298 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1njb s ILE 299 N -2.21 2.18 -0.07 0.53 -1.09 -0.39 -0.99 121.20 119.15 1njb s ILE 299 Ca 0.30 -1.55 -0.04 0.00 -2.23 0.00 0.00 60.65 57.13 1njb s ILE 299 Cb 0.16 -1.89 0.04 0.00 -1.58 0.00 0.00 42.46 39.18 1njb s ILE 299 CO 0.30 0.24 0.17 -0.54 -1.23 0.00 0.00 174.94 173.88 1njb s LYS 300 N -1.61 0.13 -0.52 2.79 1.02 0.58 -4.99 119.74 117.14 1njb s LYS 300 Ca 0.13 0.39 -0.11 0.00 0.02 0.00 0.00 55.97 56.39 1njb s LYS 300 Cb -0.10 -0.13 0.13 0.00 -0.52 0.00 0.00 37.83 37.21 1njb s LYS 300 CO 0.04 -0.15 0.42 -1.17 -0.92 0.00 0.00 175.35 173.57 1njb s LEU 301 N 1.05 5.90 0.37 3.17 2.96 -1.26 -0.20 118.68 130.68 1njb s LEU 301 Ca -0.08 -1.96 -0.16 0.00 -0.22 0.00 0.00 54.13 51.71 1njb s LEU 301 Cb -0.10 -2.08 -0.09 0.00 0.50 0.00 0.00 46.19 44.42 1njb s LEU 301 CO -0.06 -0.73 0.81 -0.76 -1.32 0.00 0.00 176.35 174.29 1njb s LEU 302 N 1.31 3.96 -1.15 -0.68 2.01 -0.06 -4.51 118.68 119.55 1njb s LEU 302 Ca 0.06 1.37 -0.02 0.00 0.01 0.00 0.00 54.13 55.55 1njb s LEU 302 Cb -0.26 -4.21 0.01 0.00 0.01 0.00 0.00 46.19 41.74 1njb s LEU 302 CO -0.00 -0.30 0.13 0.59 1.01 0.00 0.00 176.35 177.78 1njb n ASN 303 N -0.67 -4.08 -4.69 2.29 3.02 -1.26 -0.18 115.26 109.70 1njb n ASN 303 Ca 0.04 0.04 -0.42 0.00 -0.03 0.00 0.00 54.58 54.21 1njb n ASN 303 Cb 0.54 -3.43 -0.03 0.00 -0.61 0.00 0.00 39.78 36.25 1njb n ASN 303 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1njb s TYR 304 N -2.73 3.22 -0.43 3.10 5.04 -1.26 -4.16 117.35 120.13 1njb s TYR 304 Ca 0.10 1.26 0.05 0.00 -2.44 0.00 0.00 57.07 56.04 1njb s TYR 304 Cb -0.05 -3.39 0.20 0.00 0.35 0.00 0.00 41.96 39.07 1njb s TYR 304 CO 0.12 -1.17 0.42 -3.47 -1.34 0.00 0.00 175.55 170.11 1njb n ASP 305 N 5.27 0.05 -4.84 4.32 2.03 -1.26 -5.04 116.55 117.08 1njb n ASP 305 Ca 0.11 -2.55 -0.32 0.00 0.52 0.00 0.00 54.79 52.54 1njb n ASP 305 Cb 0.46 -0.59 -0.04 0.00 -0.72 0.00 0.00 41.12 40.23 1njb n ASP 305 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1njb s PRO 306 N -0.49 4.00 0.59 -0.67 0.04 -1.26 -4.88 135.00 132.33 1njb s PRO 306 Ca 0.33 0.94 -0.14 0.00 0.04 0.00 0.00 61.00 62.18 1njb s PRO 306 Cb 0.08 -2.18 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 1njb s PRO 306 CO -0.16 -0.18 1.02 0.71 0.04 0.00 0.00 177.00 178.43 1njb s TYR 307 N -2.48 3.35 0.50 0.56 1.51 0.13 -4.87 117.35 116.05 1njb s TYR 307 Ca 0.59 1.42 -0.18 0.00 -1.01 0.00 0.00 57.07 57.89 1njb s TYR 307 Cb -0.10 -2.83 -0.14 0.00 -0.11 0.00 0.00 41.96 38.78 1njb s TYR 307 CO 0.27 -0.75 -0.05 -2.30 -1.11 0.00 0.00 175.55 171.61 1njb n PRO 308 N -2.24 0.05 -2.38 -1.71 -0.02 -1.26 -2.05 135.00 125.39 1njb n PRO 308 Ca 0.07 0.02 -0.35 0.00 -2.02 0.00 0.00 63.50 61.22 1njb n PRO 308 Cb 0.54 -1.07 -0.02 0.00 -0.02 0.00 0.00 33.50 32.93 1njb n PRO 308 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1njb s ALA 309 N -1.96 2.81 -0.22 3.55 0.00 -1.26 -3.46 121.76 121.23 1njb s ALA 309 Ca 0.58 0.75 -0.06 0.00 0.00 0.00 0.00 51.96 53.23 1njb s ALA 309 Cb -0.50 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.27 1njb s ALA 309 CO 0.65 -0.56 0.03 0.42 0.00 0.00 0.00 175.76 176.31 1njb s ILE 310 N -1.82 4.18 0.23 0.00 1.01 -1.26 -4.89 121.20 118.65 1njb s ILE 310 Ca 0.69 -0.23 -0.30 0.00 0.00 0.00 0.00 60.65 60.81 1njb s ILE 310 Cb -0.21 -2.92 -0.10 0.00 0.01 0.00 0.00 42.46 39.24 1njb s ILE 310 CO 0.25 0.40 1.43 -0.75 0.00 0.00 0.00 174.94 176.27 1njb s LYS 311 N 1.17 4.28 -0.24 2.79 2.47 -1.26 -5.02 119.74 123.92 1njb s LYS 311 Ca 0.04 2.27 -0.23 0.00 -1.56 0.00 0.00 55.97 56.48 1njb s LYS 311 Cb -0.14 -3.13 0.06 0.00 -1.46 0.00 0.00 37.83 33.16 1njb s LYS 311 CO 0.02 -0.42 0.66 0.00 0.16 0.00 0.00 175.35 175.78 1njb s ALA 312 N 0.15 -1.64 0.08 3.13 0.00 -1.26 -4.97 121.76 117.25 1njb s ALA 312 Ca 0.60 1.84 -0.23 0.00 0.00 0.00 0.00 51.96 54.17 1njb s ALA 312 Cb -0.41 -1.04 -0.06 0.00 0.00 0.00 0.00 23.12 21.61 1njb s ALA 312 CO 0.41 -0.32 0.71 -1.25 0.00 0.00 0.00 175.76 175.32 1njb s PRO 313 N 0.28 4.44 -0.10 0.00 0.04 -1.26 -5.04 135.00 133.36 1njb s PRO 313 Ca -0.01 0.99 -0.30 0.00 0.04 0.00 0.00 61.00 61.73 1njb s PRO 313 Cb -0.04 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 1njb s PRO 313 CO 0.01 0.45 1.44 0.08 0.04 0.00 0.00 177.00 179.02 1njb s VAL 314 N -0.61 3.94 -0.11 -0.36 1.01 -1.26 -4.95 120.40 118.06 1njb s VAL 314 Ca 0.35 1.16 -0.30 0.00 0.00 0.00 0.00 61.98 63.19 1njb s VAL 314 Cb -0.21 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 1njb s VAL 314 CO 0.22 -0.09 1.03 0.00 0.00 0.00 0.00 175.10 176.26 1njb s ALA 315 N 3.60 3.42 0.00 5.51 0.00 -1.26 -5.12 121.76 127.91 1njb s ALA 315 Ca 0.63 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1njb s ALA 315 Cb -0.27 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1njb s ALA 315 CO 0.22 -0.64 0.08 1.33 0.00 0.00 0.00 175.76 176.75