#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1njd h LEU 2 N 0.00 0.80 -0.12 4.03 5.85 -1.95 -3.11 115.31 120.81 1njd h LEU 2 Ca 0.00 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1njd h LEU 2 Cb 0.00 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.81 1njd h LEU 2 CO 0.00 1.10 0.00 -1.84 -0.34 0.00 0.00 178.44 177.36 1njd n GLU 3 N -4.23 1.08 -0.27 1.25 0.28 -1.26 -4.11 120.64 113.37 1njd n GLU 3 Ca -0.03 -0.12 0.06 0.00 -0.16 0.00 0.00 57.16 56.90 1njd n GLU 3 Cb 0.48 -1.28 0.20 0.00 1.43 0.00 0.00 31.44 32.26 1njd n GLU 3 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 1njd h GLN 4 N 0.23 0.54 -0.99 3.44 5.75 -1.98 -1.17 115.11 120.94 1njd h GLN 4 Ca 0.00 -0.03 0.20 0.00 -0.15 0.00 0.00 58.65 58.66 1njd h GLN 4 Cb 0.05 -0.12 -0.10 0.00 1.07 0.00 0.00 27.48 28.38 1njd h GLN 4 CO 0.00 0.36 0.62 -1.35 -2.65 0.00 0.00 178.83 175.80 1njd h PRO 5 N 0.55 0.65 0.17 -2.39 0.11 -1.84 0.23 132.00 129.48 1njd h PRO 5 Ca 0.43 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.49 1njd h PRO 5 Cb 0.60 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.57 1njd h PRO 5 CO -0.36 0.43 -0.08 -0.92 -0.21 0.00 0.00 178.00 176.86 1njd h TYR 6 N 0.67 -0.21 -0.70 0.65 3.20 -1.52 0.59 116.97 119.65 1njd h TYR 6 Ca 0.56 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.42 1njd h TYR 6 Cb 0.99 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.30 1njd h TYR 6 CO -0.00 -0.02 0.42 -0.07 -1.64 0.00 0.00 178.16 176.84 1njd h LEU 7 N -0.36 0.84 -0.12 2.82 3.38 -1.03 -0.08 115.31 120.77 1njd h LEU 7 Ca -0.02 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1njd h LEU 7 Cb 0.28 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1njd h LEU 7 CO 0.04 0.65 0.08 0.44 0.09 0.00 0.00 178.44 179.73 1njd h ASP 8 N 0.97 0.14 -0.55 -0.43 3.32 -0.32 -1.44 116.42 118.11 1njd h ASP 8 Ca 0.25 -0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.37 1njd h ASP 8 Cb -0.03 -0.03 -0.07 0.00 0.22 0.00 0.00 39.33 39.42 1njd h ASP 8 CO -0.05 0.11 0.19 0.25 -1.72 0.00 0.00 179.24 178.02 1njd h LEU 9 N 0.15 0.18 -0.37 1.55 6.46 0.24 -0.96 115.31 122.56 1njd h LEU 9 Ca 0.04 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 1njd h LEU 9 Cb -0.01 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 39.96 1njd h LEU 9 CO -0.01 0.12 0.25 0.00 -0.62 0.00 0.00 178.44 178.18 1njd h ALA 10 N 1.38 0.47 0.04 1.25 0.00 -0.51 -1.92 119.26 119.97 1njd h ALA 10 Ca 0.27 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1njd h ALA 10 Cb 0.32 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1njd h ALA 10 CO -0.28 -0.07 -0.02 0.87 0.00 0.00 0.00 179.25 179.75 1njd h LYS 11 N 0.51 -0.05 -0.74 0.00 1.57 -0.78 -2.33 116.57 114.76 1njd h LYS 11 Ca 0.14 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 59.07 1njd h LYS 11 Cb -0.06 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 32.16 1njd h LYS 11 CO -0.03 0.17 0.24 -0.22 -0.57 0.00 0.00 179.45 179.05 1njd h LYS 12 N -0.26 0.35 -0.26 3.15 3.64 -1.05 0.23 116.57 122.37 1njd h LYS 12 Ca -0.00 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 1njd h LYS 12 Cb 0.24 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1njd h LYS 12 CO 0.01 0.23 -0.06 0.28 -2.27 0.00 0.00 179.45 177.64 1njd h VAL 13 N 0.36 1.19 0.00 2.00 2.07 -1.23 0.29 116.25 120.93 1njd h VAL 13 Ca 0.41 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1njd h VAL 13 Cb 0.66 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1njd h VAL 13 CO -0.45 0.26 0.00 -0.07 0.02 0.00 0.00 177.57 177.33 1njd h LEU 14 N 0.38 0.00 0.00 2.57 3.38 -0.01 -2.05 115.31 119.58 1njd h LEU 14 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1njd h LEU 14 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1njd h LEU 14 CO 0.02 0.00 -0.07 0.47 0.09 0.00 0.00 178.44 178.95 1njd n ASP 15 N -2.78 0.16 0.00 -0.43 8.00 -0.33 -4.69 116.55 116.48 1njd n ASP 15 Ca 0.02 0.03 0.11 0.00 0.71 0.00 0.00 54.79 55.66 1njd n ASP 15 Cb 0.31 -0.38 0.55 0.00 -0.02 0.00 0.00 41.12 41.58 1njd n ASP 15 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1njd n GLU 16 N -2.66 0.15 -1.93 -1.24 4.71 0.87 -4.85 120.64 115.69 1njd n GLU 16 Ca -0.01 0.08 -0.41 0.00 -0.01 0.00 0.00 57.16 56.81 1njd n GLU 16 Cb 0.03 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 28.95 1njd n GLU 16 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1njd s GLY 17 N -2.81 2.45 -0.07 0.62 0.00 -0.77 -4.95 107.32 101.78 1njd s GLY 17 Ca 0.16 1.42 0.02 0.00 0.00 0.00 0.00 44.72 46.32 1njd s GLY 17 CO 0.40 2.30 -0.10 0.30 0.00 0.00 0.00 173.10 176.00 1njd s HIS 18 N -0.32 2.84 0.07 1.90 3.76 -0.90 -4.82 115.29 117.82 1njd s HIS 18 Ca 0.58 -0.15 -0.31 0.00 -0.15 0.00 0.00 55.06 55.04 1njd s HIS 18 Cb -0.44 -1.71 -0.09 0.00 1.11 0.00 0.00 32.58 31.45 1njd s HIS 18 CO 0.49 0.19 1.76 0.12 -0.85 0.00 0.00 174.74 176.44 1njd s PHE 19 N -0.57 2.14 -0.01 1.40 2.19 -1.26 -1.32 117.98 120.55 1njd s PHE 19 Ca 0.08 0.09 0.02 0.00 0.33 0.00 0.00 56.93 57.45 1njd s PHE 19 Cb -0.12 -4.07 -0.00 0.00 -1.31 0.00 0.00 43.02 37.52 1njd s PHE 19 CO 0.02 -4.44 -0.06 0.21 1.83 0.00 0.00 175.22 172.78 1njd s LYS 20 N 3.01 0.57 0.63 10.12 2.20 0.07 -4.93 119.74 131.42 1njd s LYS 20 Ca 0.78 -0.21 -0.09 0.00 -0.36 0.00 0.00 55.97 56.09 1njd s LYS 20 Cb -0.42 -0.56 0.00 0.00 -1.51 0.00 0.00 37.83 35.34 1njd s LYS 20 CO 0.35 0.11 0.99 -2.14 -0.36 0.00 0.00 175.35 174.29 1njd s PRO 21 N 0.01 3.04 0.36 4.03 0.02 -1.26 -1.87 135.00 139.32 1njd s PRO 21 Ca 0.00 0.31 -0.02 0.00 0.02 0.00 0.00 61.00 61.31 1njd s PRO 21 Cb -0.04 -2.15 0.01 0.00 0.02 0.00 0.00 34.50 32.33 1njd s PRO 21 CO -0.00 -0.78 0.49 0.16 -0.33 0.00 0.00 177.00 176.54 1njd s ASP 22 N -4.29 0.99 0.32 2.53 -4.77 -1.26 -4.92 116.67 105.27 1njd s ASP 22 Ca 0.55 -1.52 0.07 0.00 -3.30 0.00 0.00 52.55 48.35 1njd s ASP 22 Cb -0.11 0.68 0.56 0.00 -1.09 0.00 0.00 42.92 42.97 1njd s ASP 22 CO 0.49 -1.33 1.78 0.08 0.70 0.00 0.00 175.17 176.89 1njd h ARG 23 N 2.08 0.30 -2.02 2.11 0.11 -1.99 -3.31 114.38 111.66 1njd h ARG 23 Ca -0.28 -0.10 -0.02 0.00 0.10 0.00 0.00 59.98 59.67 1njd h ARG 23 Cb 1.24 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.29 1njd h ARG 23 CO 0.38 0.55 -0.04 0.25 0.10 0.00 0.00 179.97 181.21 1njd n THR 24 N -4.14 1.89 0.00 0.08 -2.24 -1.26 -4.83 114.28 103.79 1njd n THR 24 Ca -0.01 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1njd n THR 24 Cb 0.38 -1.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.10 1njd n THR 24 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1njd n HIS 25 N 1.69 0.00 -4.98 4.78 1.44 -1.25 -4.17 115.22 112.74 1njd n HIS 25 Ca 0.05 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.44 1njd n HIS 25 Cb 0.49 -0.45 -0.15 0.00 0.12 0.00 0.00 29.99 30.00 1njd n HIS 25 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 1njd s THR 26 N 0.00 2.74 0.66 0.61 2.01 -1.26 -5.05 115.64 115.34 1njd s THR 26 Ca 0.00 -0.82 -0.17 0.00 0.31 0.00 0.00 61.69 61.01 1njd s THR 26 Cb 0.00 -2.07 -0.00 0.00 0.01 0.00 0.00 72.50 70.43 1njd s THR 26 CO 0.00 0.57 1.23 -0.83 -0.69 0.00 0.00 174.62 174.89 1njd s GLY 27 N -0.24 2.62 0.14 4.40 0.00 -1.26 -4.40 107.32 108.58 1njd s GLY 27 Ca 0.00 1.01 0.03 0.00 0.00 0.00 0.00 44.72 45.76 1njd s GLY 27 CO 0.03 1.41 -0.06 -0.51 0.00 0.00 0.00 173.10 173.97 1njd s THR 28 N -1.70 0.88 -0.30 0.90 -4.23 -0.78 -1.17 115.64 109.24 1njd s THR 28 Ca 0.77 -1.99 0.01 0.00 -1.18 0.00 0.00 61.69 59.30 1njd s THR 28 Cb -0.32 -1.86 0.06 0.00 1.34 0.00 0.00 72.50 71.73 1njd s THR 28 CO 0.39 -0.72 -0.03 -0.31 -0.54 0.00 0.00 174.62 173.42 1njd s TYR 29 N -3.51 3.35 0.40 3.99 2.02 -0.04 -0.75 117.35 122.80 1njd s TYR 29 Ca 0.17 -2.24 0.08 0.00 -0.37 0.00 0.00 57.07 54.70 1njd s TYR 29 Cb 0.04 -2.21 -0.03 0.00 -0.40 0.00 0.00 41.96 39.37 1njd s TYR 29 CO -0.00 -0.87 0.33 -1.54 -1.57 0.00 0.00 175.55 171.90 1njd s SER 30 N 1.19 4.97 -0.08 2.29 1.04 -0.44 -1.47 113.70 121.20 1njd s SER 30 Ca -0.04 -0.77 -0.11 0.00 0.48 0.00 0.00 55.95 55.52 1njd s SER 30 Cb -0.20 -0.61 0.02 0.00 0.10 0.00 0.00 66.02 65.33 1njd s SER 30 CO -0.04 -0.58 0.28 -0.51 0.98 0.00 0.00 173.24 173.37 1njd s ILE 31 N -2.47 0.02 -0.13 -1.02 1.10 -0.60 -2.13 121.20 115.97 1njd s ILE 31 Ca 0.46 -0.18 0.02 0.00 -0.51 0.00 0.00 60.65 60.43 1njd s ILE 31 Cb -0.02 -0.46 -0.00 0.00 0.15 0.00 0.00 42.46 42.12 1njd s ILE 31 CO 0.27 -0.10 -0.19 0.12 -2.11 0.00 0.00 174.94 172.93 1njd s PHE 32 N -0.35 2.70 -0.00 3.50 5.36 -1.26 -1.22 117.98 126.72 1njd s PHE 32 Ca -0.05 -1.04 -0.00 0.00 -0.96 0.00 0.00 56.93 54.88 1njd s PHE 32 Cb -0.03 -1.82 0.00 0.00 -0.34 0.00 0.00 43.02 40.83 1njd s PHE 32 CO 0.01 -0.44 0.00 0.41 -1.46 0.00 0.00 175.22 173.75 1njd n GLY 33 N 3.82 -2.95 3.43 13.12 0.00 -0.39 -5.02 105.19 117.20 1njd n GLY 33 Ca -0.19 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.25 1njd n GLY 33 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1njd s HIS 34 N -0.02 -0.56 -0.01 1.61 2.46 -1.15 -4.96 115.29 112.65 1njd s HIS 34 Ca -0.00 1.28 0.01 0.00 0.47 0.00 0.00 55.06 56.81 1njd s HIS 34 Cb 0.00 0.22 0.01 0.00 -0.13 0.00 0.00 32.58 32.68 1njd s HIS 34 CO 0.01 -0.35 -0.03 -1.14 -2.47 0.00 0.00 174.74 170.76 1njd s GLN 35 N -0.11 0.36 0.02 2.88 0.74 -1.26 0.01 119.66 122.29 1njd s GLN 35 Ca -0.03 -0.09 -0.05 0.00 0.05 0.00 0.00 55.36 55.23 1njd s GLN 35 Cb -0.03 -0.39 -0.01 0.00 1.10 0.00 0.00 33.01 33.68 1njd s GLN 35 CO 0.02 0.03 0.09 0.00 -0.55 0.00 0.00 175.29 174.88 1njd s MET 36 N 0.22 0.49 0.10 1.67 0.23 -0.68 -5.01 119.30 116.33 1njd s MET 36 Ca -0.02 -0.58 0.04 0.00 -1.03 0.00 0.00 55.69 54.10 1njd s MET 36 Cb -0.05 0.19 -0.03 0.00 -1.53 0.00 0.00 34.83 33.41 1njd s MET 36 CO -0.00 -0.11 -0.11 -0.98 -2.03 0.00 0.00 175.02 171.78 1njd s ARG 37 N -1.87 0.86 -0.07 3.16 1.70 -1.26 -0.10 118.95 121.36 1njd s ARG 37 Ca -0.11 -1.13 0.02 0.00 -0.47 0.00 0.00 55.73 54.03 1njd s ARG 37 Cb -0.06 -0.62 0.02 0.00 -0.57 0.00 0.00 34.95 33.72 1njd s ARG 37 CO -0.01 0.11 -0.11 -0.06 -1.08 0.00 0.00 175.30 174.15 1njd s PHE 38 N -2.21 1.41 -0.48 5.89 0.08 0.54 -4.94 117.98 118.27 1njd s PHE 38 Ca 0.04 -0.56 -0.27 0.00 0.12 0.00 0.00 56.93 56.27 1njd s PHE 38 Cb -0.04 -1.07 0.03 0.00 -0.57 0.00 0.00 43.02 41.36 1njd s PHE 38 CO 0.01 -0.32 1.02 0.34 -0.10 0.00 0.00 175.22 176.17 1njd s ASP 39 N 0.89 6.53 0.54 1.36 -1.08 -1.26 -0.89 116.67 122.76 1njd s ASP 39 Ca -0.10 0.21 0.32 0.00 -0.52 0.00 0.00 52.55 52.46 1njd s ASP 39 Cb -0.15 -2.49 1.41 0.00 -1.46 0.00 0.00 42.92 40.22 1njd s ASP 39 CO 0.01 -1.16 2.01 -0.07 0.52 0.00 0.00 175.17 176.47 1njd h LEU 40 N 10.91 0.00 0.00 -1.34 3.38 -1.35 -2.57 115.31 124.35 1njd h LEU 40 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1njd h LEU 40 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1njd h LEU 40 CO 1.08 0.06 0.00 -1.54 0.09 0.00 0.00 178.44 178.12 1njd n SER 41 N -3.21 0.00 -0.00 -0.43 3.41 -1.26 -2.18 113.62 109.95 1njd n SER 41 Ca -0.00 -1.26 0.07 0.00 -0.26 0.00 0.00 58.87 57.42 1njd n SER 41 Cb 0.30 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.15 1njd n SER 41 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1njd n LYS 42 N -0.76 1.16 0.00 4.33 4.76 -0.97 -5.09 118.16 121.59 1njd n LYS 42 Ca 0.11 -0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1njd n LYS 42 Cb 0.05 -1.27 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 1njd n LYS 42 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1njd n GLY 43 N 1.57 1.92 3.64 0.72 0.00 -0.93 -4.84 105.19 107.26 1njd n GLY 43 Ca -0.01 -1.36 -0.39 0.00 0.00 0.00 0.00 46.02 44.27 1njd n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1njd s PHE 44 N -1.93 3.32 -0.17 1.61 5.36 -0.97 -4.51 117.98 120.69 1njd s PHE 44 Ca 0.00 0.56 -0.03 0.00 -0.96 0.00 0.00 56.93 56.50 1njd s PHE 44 Cb 0.00 -2.57 -0.10 0.00 -0.34 0.00 0.00 43.02 40.01 1njd s PHE 44 CO 0.00 -0.13 1.83 -0.35 -1.46 0.00 0.00 175.22 175.11 1njd n PRO 45 N 4.93 1.03 -3.37 10.12 -0.04 -1.26 -4.09 135.00 142.31 1njd n PRO 45 Ca -0.08 -0.62 -0.38 0.00 -0.04 0.00 0.00 63.50 62.38 1njd n PRO 45 Cb 0.51 -1.87 -0.08 0.00 -0.04 0.00 0.00 33.50 32.03 1njd n PRO 45 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1njd s LEU 46 N 0.02 4.14 0.06 1.53 2.96 -1.26 -4.55 118.68 121.58 1njd s LEU 46 Ca 0.29 0.51 -0.35 0.00 -0.22 0.00 0.00 54.13 54.36 1njd s LEU 46 Cb 0.12 -2.53 -0.14 0.00 0.50 0.00 0.00 46.19 44.14 1njd s LEU 46 CO -0.01 -0.11 1.62 0.18 -1.32 0.00 0.00 176.35 176.72 1njd n LEU 47 N 4.63 2.88 0.03 -0.68 4.77 -1.26 -4.78 117.00 122.59 1njd n LEU 47 Ca -0.08 1.06 0.11 0.00 -0.03 0.00 0.00 56.01 57.08 1njd n LEU 47 Cb 0.51 -1.35 -0.03 0.00 -2.33 0.00 0.00 43.42 40.22 1njd n LEU 47 CO 0.40 -0.37 -0.15 0.35 -1.33 0.00 0.00 177.39 176.29 1njd n THR 48 N 3.75 0.20 1.29 -5.08 -2.24 -1.26 -4.16 114.28 106.78 1njd n THR 48 Ca 0.19 -0.33 0.12 0.00 -2.27 0.00 0.00 64.05 61.77 1njd n THR 48 Cb 0.26 0.13 0.66 0.00 -2.10 0.00 0.00 70.33 69.28 1njd n THR 48 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1njd n THR 49 N -2.10 0.16 -3.64 4.28 -2.24 -1.26 -0.82 114.28 108.65 1njd n THR 49 Ca 0.01 0.04 -0.08 0.00 -2.27 0.00 0.00 64.05 61.75 1njd n THR 49 Cb 0.47 -0.64 -0.07 0.00 -2.10 0.00 0.00 70.33 67.99 1njd n THR 49 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1njd s LYS 50 N -2.38 0.57 -0.06 -0.78 -2.85 -1.26 -4.69 119.74 108.28 1njd s LYS 50 Ca 0.28 0.82 -0.29 0.00 -1.00 0.00 0.00 55.97 55.77 1njd s LYS 50 Cb 0.17 0.20 -0.07 0.00 -2.06 0.00 0.00 37.83 36.07 1njd s LYS 50 CO 0.34 -0.09 2.02 0.21 0.10 0.00 0.00 175.35 177.93 1njd s LYS 51 N 0.88 3.80 -0.27 1.78 2.20 -1.08 -4.71 119.74 122.34 1njd s LYS 51 Ca -0.04 2.37 -0.04 0.00 -0.36 0.00 0.00 55.97 57.90 1njd s LYS 51 Cb -0.05 -4.22 0.02 0.00 -1.51 0.00 0.00 37.83 32.08 1njd s LYS 51 CO -0.10 -1.34 0.00 0.08 -0.36 0.00 0.00 175.35 173.63 1njd s VAL 52 N 5.71 3.33 -0.78 4.02 1.01 -1.26 -4.75 120.40 127.69 1njd s VAL 52 Ca 0.91 -0.93 -0.23 0.00 0.00 0.00 0.00 61.98 61.73 1njd s VAL 52 Cb -0.38 -2.73 -0.16 0.00 0.00 0.00 0.00 36.38 33.10 1njd s VAL 52 CO 0.39 0.12 2.39 -0.81 0.00 0.00 0.00 175.10 177.18 1njd n PRO 53 N 4.75 0.53 0.29 2.72 -0.04 -1.26 -4.78 135.00 137.20 1njd n PRO 53 Ca -0.15 -0.48 0.14 0.00 -0.04 0.00 0.00 63.50 62.97 1njd n PRO 53 Cb 0.47 -3.05 0.85 0.00 -0.04 0.00 0.00 33.50 31.73 1njd n PRO 53 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1njd h PHE 54 N 13.85 0.00 -0.10 0.54 3.57 -2.00 -2.66 116.94 130.13 1njd h PHE 54 Ca -0.05 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1njd h PHE 54 Cb 1.10 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 1njd h PHE 54 CO 1.15 0.04 0.07 0.78 -2.23 0.00 0.00 178.31 178.12 1njd h GLY 55 N 0.25 0.14 1.56 2.40 0.00 -2.00 0.03 103.07 105.45 1njd h GLY 55 Ca -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 1njd h GLY 55 CO 0.01 0.05 0.22 1.41 0.00 0.00 0.00 176.54 178.22 1njd h LEU 56 N 0.13 0.52 0.28 3.11 3.38 -1.86 -1.99 115.31 118.88 1njd h LEU 56 Ca 0.04 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1njd h LEU 56 Cb -0.01 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1njd h LEU 56 CO -0.01 0.43 -0.14 0.40 0.09 0.00 0.00 178.44 179.22 1njd h ILE 57 N 0.59 0.69 -0.34 1.22 2.04 -1.41 -2.49 117.51 117.81 1njd h ILE 57 Ca 0.15 -0.73 0.07 0.00 1.00 0.00 0.00 64.86 65.35 1njd h ILE 57 Cb 0.04 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.10 1njd h ILE 57 CO -0.02 0.13 -0.08 0.50 0.00 0.00 0.00 178.15 178.69 1njd h LYS 58 N -0.81 0.01 -0.18 2.37 3.64 -0.75 -0.65 116.57 120.21 1njd h LYS 58 Ca -0.04 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.24 1njd h LYS 58 Cb 0.51 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1njd h LYS 58 CO 0.06 0.01 -0.33 0.66 -2.27 0.00 0.00 179.45 177.58 1njd h SER 59 N 0.01 0.37 -0.10 4.20 4.64 -1.46 -1.92 113.55 119.29 1njd h SER 59 Ca 0.17 -0.14 -0.21 0.00 -0.47 0.00 0.00 61.79 61.14 1njd h SER 59 Cb 0.25 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1njd h SER 59 CO -0.35 0.69 -0.73 -0.08 -0.87 0.00 0.00 176.83 175.49 1njd h GLU 60 N 0.31 0.74 -0.50 4.77 4.81 -0.94 -1.84 114.58 121.93 1njd h GLU 60 Ca 0.04 -0.58 -0.06 0.00 -0.13 0.00 0.00 59.36 58.63 1njd h GLU 60 Cb 0.74 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 1njd h GLU 60 CO 0.06 1.19 0.06 1.25 -0.73 0.00 0.00 179.01 180.84 1njd h LEU 61 N 0.52 0.81 -0.97 1.64 5.85 -1.02 -2.47 115.31 119.67 1njd h LEU 61 Ca -0.04 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 1njd h LEU 61 Cb 1.34 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.12 1njd h LEU 61 CO 0.15 0.88 0.36 -0.07 -0.34 0.00 0.00 178.44 179.41 1njd h LEU 62 N 0.71 0.99 -0.50 2.25 4.07 -1.32 -0.33 115.31 121.18 1njd h LEU 62 Ca 0.15 -0.12 0.09 0.00 0.08 0.00 0.00 57.88 58.08 1njd h LEU 62 Cb 0.43 -0.25 -0.07 0.00 1.08 0.00 0.00 40.66 41.84 1njd h LEU 62 CO 0.01 0.84 0.08 -0.25 -1.08 0.00 0.00 178.44 178.04 1njd h TRP 63 N 1.08 0.12 0.50 1.13 7.01 -0.97 -1.23 115.95 123.59 1njd h TRP 63 Ca 0.26 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.27 1njd h TRP 63 Cb 0.12 0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.21 1njd h TRP 63 CO 0.01 -0.03 -0.24 0.74 -2.79 0.00 0.00 178.44 176.13 1njd h PHE 64 N 0.21 -0.62 -0.68 2.65 0.04 -0.93 -2.73 116.94 114.87 1njd h PHE 64 Ca 0.25 -0.01 0.20 0.00 2.80 0.00 0.00 57.97 61.21 1njd h PHE 64 Cb 0.35 0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.68 1njd h PHE 64 CO -0.25 -0.32 0.63 -0.07 -0.60 0.00 0.00 178.31 177.70 1njd h LEU 65 N -0.83 0.00 0.00 1.54 3.38 -0.64 0.31 115.31 119.07 1njd h LEU 65 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1njd h LEU 65 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1njd h LEU 65 CO 0.11 0.00 -0.44 0.45 0.09 0.00 0.00 178.44 178.65 1njd h HIS 66 N 0.00 0.00 0.00 1.13 3.86 -1.10 -3.44 115.15 115.60 1njd h HIS 66 Ca 0.33 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 1njd h HIS 66 Cb 1.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.05 1njd h HIS 66 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 1njd n GLY 67 N 1.21 0.46 3.76 2.45 0.00 0.11 -5.02 105.19 108.15 1njd n GLY 67 Ca 0.03 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 1njd n GLY 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1njd s ASP 68 N -2.85 7.54 0.00 1.61 -1.08 -1.04 -4.35 116.67 116.50 1njd s ASP 68 Ca 0.00 1.82 0.00 0.00 -0.52 0.00 0.00 52.55 53.85 1njd s ASP 68 Cb 0.00 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.90 1njd s ASP 68 CO 0.00 0.17 0.57 0.35 0.52 0.00 0.00 175.17 176.79 1njd n THR 69 N 1.58 0.31 -3.65 1.71 -2.24 -1.26 -4.33 114.28 106.40 1njd n THR 69 Ca -0.03 -0.51 -0.36 0.00 -2.27 0.00 0.00 64.05 60.88 1njd n THR 69 Cb 0.48 1.01 -0.07 0.00 -2.10 0.00 0.00 70.33 69.64 1njd n THR 69 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1njd s ASN 70 N -0.31 6.39 0.51 3.42 3.84 -1.26 -0.95 114.94 126.57 1njd s ASN 70 Ca 0.00 0.46 0.20 0.00 0.21 0.00 0.00 52.86 53.73 1njd s ASN 70 Cb 0.00 -2.14 1.31 0.00 -0.55 0.00 0.00 41.25 39.87 1njd s ASN 70 CO 0.00 0.20 2.10 -0.29 -2.79 0.00 0.00 177.10 176.31 1njd h ILE 71 N 4.48 0.88 -0.77 -5.21 6.09 -0.84 -3.18 117.51 118.96 1njd h ILE 71 Ca -0.44 -0.33 0.18 0.00 -1.37 0.00 0.00 64.86 62.90 1njd h ILE 71 Cb 1.18 1.19 -0.13 0.00 0.47 0.00 0.00 36.82 39.52 1njd h ILE 71 CO 0.72 0.09 0.06 -0.09 -3.07 0.00 0.00 178.15 175.85 1njd h ARG 72 N 0.00 0.14 -0.21 2.19 2.43 -1.88 0.44 114.38 117.48 1njd h ARG 72 Ca -0.00 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1njd h ARG 72 Cb 0.18 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 1njd h ARG 72 CO 0.01 0.09 -0.07 0.35 -1.51 0.00 0.00 179.97 178.84 1njd h PHE 73 N 0.14 -0.17 -0.34 2.20 3.04 -1.96 -1.91 116.94 117.94 1njd h PHE 73 Ca 0.43 0.02 0.04 0.00 3.98 0.00 0.00 57.97 62.44 1njd h PHE 73 Cb 0.78 0.11 -0.04 0.00 2.56 0.00 0.00 35.95 39.36 1njd h PHE 73 CO -0.38 -0.12 0.12 -0.07 -2.02 0.00 0.00 178.31 175.84 1njd h LEU 74 N -0.03 0.13 -1.43 0.59 4.07 -1.15 -2.64 115.31 114.85 1njd h LEU 74 Ca 0.11 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 58.08 1njd h LEU 74 Cb 0.20 0.02 -0.02 0.00 1.08 0.00 0.00 40.66 41.94 1njd h LEU 74 CO -0.24 0.11 0.13 -0.07 -1.08 0.00 0.00 178.44 177.29 1njd h LEU 75 N 0.26 0.46 0.00 1.67 3.38 -0.95 -1.11 115.31 119.02 1njd h LEU 75 Ca 0.15 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1njd h LEU 75 Cb 0.13 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1njd h LEU 75 CO -0.16 0.44 0.00 0.00 0.09 0.00 0.00 178.44 178.81 1njd n GLN 76 N -4.38 0.85 -0.03 1.13 10.64 -0.75 -1.91 117.38 122.93 1njd n GLN 76 Ca 0.02 0.00 0.01 0.00 -1.83 0.00 0.00 57.00 55.20 1njd n GLN 76 Cb 0.15 -1.14 0.01 0.00 -0.86 0.00 0.00 30.24 28.41 1njd n GLN 76 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1njd n HIS 77 N -0.64 0.00 -3.40 2.61 8.25 -0.52 -4.99 115.22 116.52 1njd n HIS 77 Ca 0.06 -0.39 -0.19 0.00 -0.26 0.00 0.00 57.72 56.93 1njd n HIS 77 Cb 0.03 -0.05 0.07 0.00 1.12 0.00 0.00 29.99 31.16 1njd n HIS 77 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1njd n ARG 78 N -0.44 -6.64 -4.01 -0.41 1.74 -0.80 -4.99 116.66 101.12 1njd n ARG 78 Ca 0.02 0.71 -0.33 0.00 -0.77 0.00 0.00 57.85 57.48 1njd n ARG 78 Cb 0.38 -5.40 -0.14 0.00 -1.02 0.00 0.00 32.46 26.27 1njd n ARG 78 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1njd s ASN 79 N -3.44 4.63 0.00 0.55 3.84 -0.59 -4.97 114.94 114.96 1njd s ASN 79 Ca 0.41 -1.36 0.16 0.00 0.21 0.00 0.00 52.86 52.27 1njd s ASN 79 Cb -0.18 -1.61 0.45 0.00 -0.55 0.00 0.00 41.25 39.35 1njd s ASN 79 CO 0.62 -0.22 1.37 1.41 -2.79 0.00 0.00 177.10 177.49 1njd n HIS 80 N 4.50 0.67 -0.31 0.43 8.25 -1.26 -3.61 115.22 123.90 1njd n HIS 80 Ca -0.13 -0.49 0.15 0.00 -0.26 0.00 0.00 57.72 56.99 1njd n HIS 80 Cb 0.43 -0.02 0.33 0.00 1.12 0.00 0.00 29.99 31.85 1njd n HIS 80 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1njd h ILE 81 N 3.00 0.33 -0.63 1.59 2.04 -1.96 -1.41 117.51 120.47 1njd h ILE 81 Ca 0.00 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1njd h ILE 81 Cb 0.84 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1njd h ILE 81 CO 0.00 0.05 0.00 0.79 0.00 0.00 0.00 178.15 178.99 1njd n TRP 82 N -5.17 0.94 0.19 1.37 7.02 -1.26 -4.59 117.44 115.94 1njd n TRP 82 Ca 0.24 -0.45 -0.15 0.00 -1.02 0.00 0.00 57.50 56.12 1njd n TRP 82 Cb 0.74 -0.04 -0.08 0.00 -2.42 0.00 0.00 31.31 29.52 1njd n TRP 82 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1njd h ASP 83 N 3.72 -0.44 -0.90 -0.99 5.19 -1.58 -3.26 116.42 118.15 1njd h ASP 83 Ca 0.00 0.03 0.15 0.00 -0.62 0.00 0.00 57.03 56.59 1njd h ASP 83 Cb 0.94 0.13 -0.15 0.00 0.18 0.00 0.00 39.33 40.42 1njd h ASP 83 CO 0.04 -0.29 -0.31 1.21 -3.12 0.00 0.00 179.24 176.77 1njd n GLU 84 N -5.30 -0.17 -0.25 3.56 2.13 -1.26 -1.04 120.64 118.30 1njd n GLU 84 Ca -0.10 1.40 -0.07 0.00 0.66 0.00 0.00 57.16 59.05 1njd n GLU 84 Cb 0.22 -2.08 0.05 0.00 0.27 0.00 0.00 31.44 29.89 1njd n GLU 84 CO 0.00 0.00 0.00 -1.49 -0.41 0.00 0.00 177.13 175.23 1njd h TRP 85 N 0.00 1.08 -0.10 4.31 4.06 -1.91 -1.84 115.95 121.54 1njd h TRP 85 Ca 0.36 -0.09 -0.17 0.00 2.06 0.00 0.00 58.89 61.05 1njd h TRP 85 Cb 0.58 -0.32 -0.01 0.00 -1.00 0.00 0.00 29.16 28.42 1njd h TRP 85 CO -0.76 0.84 -0.65 0.00 -3.56 0.00 0.00 178.44 174.32 1njd h ALA 86 N 1.12 0.69 -0.67 1.49 0.00 -1.27 -3.10 119.26 117.52 1njd h ALA 86 Ca 0.23 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1njd h ALA 86 Cb 0.24 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1njd h ALA 86 CO -0.02 0.73 0.15 0.35 0.00 0.00 0.00 179.25 180.47 1njd h PHE 87 N 0.29 1.11 -0.10 0.00 3.57 -0.84 -2.71 116.94 118.26 1njd h PHE 87 Ca -0.01 -0.13 0.04 0.00 3.53 0.00 0.00 57.97 61.40 1njd h PHE 87 Cb 1.20 -0.31 -0.05 0.00 2.79 0.00 0.00 35.95 39.58 1njd h PHE 87 CO 0.04 0.91 -0.18 0.93 -2.23 0.00 0.00 178.31 177.78 1njd h GLU 88 N 1.01 -0.23 -0.99 1.11 5.08 -1.26 -0.21 114.58 119.07 1njd h GLU 88 Ca 0.21 0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.76 1njd h GLU 88 Cb 0.36 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.57 1njd h GLU 88 CO 0.00 -0.16 0.62 -0.22 -1.00 0.00 0.00 179.01 178.25 1njd h LYS 89 N -0.24 0.76 0.36 2.33 1.63 -1.51 -0.64 116.57 119.25 1njd h LYS 89 Ca 0.09 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.82 1njd h LYS 89 Cb 0.37 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 1njd h LYS 89 CO -0.24 0.50 -0.17 2.35 -3.45 0.00 0.00 179.45 178.44 1njd h TRP 90 N 0.78 -0.45 0.00 1.91 -0.00 -0.91 -3.05 115.95 114.23 1njd h TRP 90 Ca 0.55 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.89 59.40 1njd h TRP 90 Cb 0.83 0.15 -0.00 0.00 -0.00 0.00 0.00 29.16 30.14 1njd h TRP 90 CO -0.00 -0.11 -0.13 -0.39 -0.00 0.00 0.00 178.44 177.80 1njd h VAL 91 N -0.85 0.86 -0.03 2.65 -1.51 -0.56 -1.70 116.25 115.11 1njd h VAL 91 Ca -0.05 -0.49 0.00 0.00 -1.23 0.00 0.00 66.70 64.93 1njd h VAL 91 Cb 0.53 1.28 0.00 0.00 -2.13 0.00 0.00 31.29 30.98 1njd h VAL 91 CO 0.08 0.13 0.00 0.29 -1.23 0.00 0.00 177.57 176.84 1njd n LYS 92 N -4.04 1.44 -2.64 5.19 4.76 -0.29 -4.89 118.16 117.68 1njd n LYS 92 Ca -0.02 -0.64 -0.31 0.00 -2.87 0.00 0.00 58.31 54.46 1njd n LYS 92 Cb 0.22 -1.47 -0.03 0.00 -1.84 0.00 0.00 35.03 31.90 1njd n LYS 92 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1njd s SER 93 N -1.93 6.58 0.33 4.39 0.15 -0.64 -4.98 113.70 117.61 1njd s SER 93 Ca 0.40 1.36 0.17 0.00 0.70 0.00 0.00 55.95 58.58 1njd s SER 93 Cb 0.20 -2.42 0.44 0.00 -1.71 0.00 0.00 66.02 62.54 1njd s SER 93 CO 0.33 -0.48 1.62 -2.24 1.20 0.00 0.00 173.24 173.66 1njd h ASP 94 N 1.13 0.00 0.84 5.45 2.03 -1.90 -2.62 116.42 121.35 1njd h ASP 94 Ca -0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 1njd h ASP 94 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 1njd h ASP 94 CO 0.63 0.44 0.00 -0.62 -1.03 0.00 0.00 179.24 178.65 1njd n GLU 95 N -3.40 0.10 -2.76 4.15 1.02 -1.26 -4.74 120.64 113.75 1njd n GLU 95 Ca 0.01 0.25 -0.41 0.00 -0.02 0.00 0.00 57.16 56.98 1njd n GLU 95 Cb 0.60 -1.66 -0.04 0.00 -0.02 0.00 0.00 31.44 30.32 1njd n GLU 95 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1njd s TYR 96 N -3.11 3.71 -0.24 -0.32 5.04 -0.99 -5.02 117.35 116.41 1njd s TYR 96 Ca 0.08 1.68 -0.04 0.00 -2.44 0.00 0.00 57.07 56.35 1njd s TYR 96 Cb 0.12 -3.06 0.08 0.00 0.35 0.00 0.00 41.96 39.46 1njd s TYR 96 CO 0.41 0.09 0.11 -1.01 -1.34 0.00 0.00 175.55 173.81 1njd s HIS 97 N 0.59 0.32 -1.06 4.97 3.76 -1.26 -4.95 115.29 117.66 1njd s HIS 97 Ca 0.48 -0.67 0.00 0.00 -0.15 0.00 0.00 55.06 54.72 1njd s HIS 97 Cb -0.21 -0.84 0.00 0.00 1.11 0.00 0.00 32.58 32.63 1njd s HIS 97 CO 0.28 -0.70 0.00 0.41 -0.85 0.00 0.00 174.74 173.88 1njd n GLY 98 N 5.25 -1.43 3.59 -2.22 0.00 -1.26 -5.15 105.19 103.96 1njd n GLY 98 Ca -0.06 -1.03 -0.45 0.00 0.00 0.00 0.00 46.02 44.48 1njd n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1njd n PRO 99 N -0.16 1.33 -1.57 1.61 -0.04 -1.26 -4.81 135.00 130.10 1njd n PRO 99 Ca 0.00 0.47 -0.29 0.00 -0.04 0.00 0.00 63.50 63.63 1njd n PRO 99 Cb 0.00 -1.83 -0.04 0.00 -0.04 0.00 0.00 33.50 31.58 1njd n PRO 99 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1njd s ASP 100 N -0.55 4.28 -0.76 3.54 2.15 -1.26 -4.84 116.67 119.23 1njd s ASP 100 Ca 0.59 0.76 -0.04 0.00 0.43 0.00 0.00 52.55 54.29 1njd s ASP 100 Cb -0.71 -2.52 0.08 0.00 -0.30 0.00 0.00 42.92 39.47 1njd s ASP 100 CO 0.60 -3.18 2.65 0.23 -0.17 0.00 0.00 175.17 175.30 1njd n MET 101 N 8.96 3.19 -3.24 4.34 2.81 -1.26 -4.96 117.12 126.95 1njd n MET 101 Ca 0.40 -2.72 -0.38 0.00 -1.81 0.00 0.00 57.70 53.19 1njd n MET 101 Cb 0.51 -2.32 -0.06 0.00 -0.71 0.00 0.00 33.22 30.65 1njd n MET 101 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1njd s THR 102 N -1.79 4.71 -1.29 2.03 2.01 -1.26 -4.07 115.64 115.98 1njd s THR 102 Ca 0.57 1.19 0.00 0.00 0.31 0.00 0.00 61.69 63.76 1njd s THR 102 Cb 0.31 -3.88 0.00 0.00 0.01 0.00 0.00 72.50 68.94 1njd s THR 102 CO -0.17 0.44 0.00 -0.67 -0.69 0.00 0.00 174.62 173.53 1njd n ASP 103 N 1.38 -3.86 -4.57 3.53 -0.08 -1.26 -4.80 116.55 106.89 1njd n ASP 103 Ca -0.08 0.25 -0.31 0.00 -1.51 0.00 0.00 54.79 53.14 1njd n ASP 103 Cb 0.51 -3.42 0.16 0.00 2.34 0.00 0.00 41.12 40.71 1njd n ASP 103 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1njd n PHE 104 N -2.70 -0.02 0.00 -0.67 -1.74 -1.26 -0.63 117.46 110.44 1njd n PHE 104 Ca -0.15 0.31 0.00 0.00 -0.56 0.00 0.00 57.45 57.05 1njd n PHE 104 Cb 0.53 -1.90 0.00 0.00 1.52 0.00 0.00 39.48 39.63 1njd n PHE 104 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1njd n GLY 105 N 0.73 2.32 0.07 4.97 0.00 -1.26 -4.32 105.19 107.69 1njd n GLY 105 Ca 0.10 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 1njd n GLY 105 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1njd h HIS 106 N 0.00 -0.02 0.00 1.61 3.86 -1.80 -3.02 115.15 115.79 1njd h HIS 106 Ca 0.00 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1njd h HIS 106 Cb 0.00 0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.48 1njd h HIS 106 CO 0.00 0.69 -0.01 -0.09 0.86 0.00 0.00 177.93 179.38 1njd h ARG 107 N -0.76 0.00 -0.04 2.45 9.65 -1.06 -2.49 114.38 122.13 1njd h ARG 107 Ca -0.00 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.83 1njd h ARG 107 Cb 0.72 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.30 1njd h ARG 107 CO 0.00 0.01 -0.16 0.77 2.80 0.00 0.00 179.97 183.39 1njd h SER 108 N 0.00 0.21 -0.99 -3.80 0.02 -1.80 -2.20 113.55 104.99 1njd h SER 108 Ca -0.00 -0.65 0.15 0.00 -0.84 0.00 0.00 61.79 60.45 1njd h SER 108 Cb 0.03 -0.06 -0.09 0.00 0.14 0.00 0.00 62.40 62.42 1njd h SER 108 CO 0.00 0.82 0.62 1.56 -1.14 0.00 0.00 176.83 178.69 1njd h GLN 109 N -0.39 0.83 -0.32 3.45 7.50 -1.32 -1.79 115.11 123.07 1njd h GLN 109 Ca -0.01 -0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.09 1njd h GLN 109 Cb 0.82 -0.19 0.00 0.00 0.05 0.00 0.00 27.48 28.16 1njd h GLN 109 CO 0.03 0.55 0.00 0.36 -1.50 0.00 0.00 178.83 178.27 1njd n LYS 110 N -4.66 2.18 -3.25 1.46 2.85 -1.15 -4.75 118.16 110.83 1njd n LYS 110 Ca 0.20 -1.78 -0.14 0.00 -1.05 0.00 0.00 58.31 55.55 1njd n LYS 110 Cb 0.46 -1.45 -0.06 0.00 -0.65 0.00 0.00 35.03 33.33 1njd n LYS 110 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1njd s ASP 111 N -1.46 0.41 0.25 -5.58 -1.08 -0.67 -5.03 116.67 103.51 1njd s ASP 111 Ca 0.36 -1.71 -0.03 0.00 -0.52 0.00 0.00 52.55 50.65 1njd s ASP 111 Cb 0.20 0.83 0.52 0.00 -1.46 0.00 0.00 42.92 43.00 1njd s ASP 111 CO 0.29 -0.20 1.71 -0.65 0.52 0.00 0.00 175.17 176.84 1njd h PRO 112 N 6.53 0.39 -0.19 4.34 0.11 -1.86 0.24 132.00 141.56 1njd h PRO 112 Ca 0.08 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.10 1njd h PRO 112 Cb 1.06 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 1njd h PRO 112 CO 0.18 0.26 -0.15 1.49 -0.21 0.00 0.00 178.00 179.57 1njd h GLU 113 N 0.40 0.44 -0.74 1.05 4.81 -1.96 -2.88 114.58 115.71 1njd h GLU 113 Ca 0.45 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1njd h GLU 113 Cb 0.73 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.08 1njd h GLU 113 CO -0.45 0.77 0.43 0.35 -0.73 0.00 0.00 179.01 179.38 1njd h PHE 114 N 0.11 0.97 -0.65 0.92 3.04 -1.76 -2.37 116.94 117.19 1njd h PHE 114 Ca 0.04 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.06 1njd h PHE 114 Cb 0.67 -0.32 -0.06 0.00 2.56 0.00 0.00 35.95 38.80 1njd h PHE 114 CO 0.07 0.65 0.33 0.00 -2.02 0.00 0.00 178.31 177.34 1njd h ALA 115 N 1.47 0.87 -0.12 2.41 0.00 -0.38 0.35 119.26 123.87 1njd h ALA 115 Ca 0.26 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 1njd h ALA 115 Cb -0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1njd h ALA 115 CO -0.05 -0.04 -0.28 0.00 0.00 0.00 0.00 179.25 178.89 1njd h ALA 116 N 1.37 1.32 0.10 0.00 0.00 -1.23 0.22 119.26 121.05 1njd h ALA 116 Ca 0.31 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1njd h ALA 116 Cb 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1njd h ALA 116 CO -0.23 0.47 -0.05 0.28 0.00 0.00 0.00 179.25 179.72 1njd h VAL 117 N 0.19 1.11 -0.23 0.00 2.07 -0.87 -2.09 116.25 116.43 1njd h VAL 117 Ca 0.03 -0.91 0.04 0.00 0.82 0.00 0.00 66.70 66.68 1njd h VAL 117 Cb 0.59 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 1njd h VAL 117 CO 0.04 0.22 0.01 0.22 0.02 0.00 0.00 177.57 178.08 1njd h TYR 118 N -0.56 0.01 0.00 1.57 3.20 -0.11 -0.57 116.97 120.51 1njd h TYR 118 Ca -0.01 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1njd h TYR 118 Cb 0.46 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.75 1njd h TYR 118 CO 0.06 -0.02 -0.06 0.45 -1.64 0.00 0.00 178.16 176.95 1njd h HIS 119 N 0.09 0.00 0.04 -3.82 3.86 -0.59 -1.37 115.15 113.36 1njd h HIS 119 Ca 0.11 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 59.07 1njd h HIS 119 Cb 0.13 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.62 1njd h HIS 119 CO -0.18 0.06 -1.01 1.49 0.86 0.00 0.00 177.93 179.15 1njd h GLU 120 N 0.00 0.61 -0.78 2.45 4.57 -0.51 -2.24 114.58 118.69 1njd h GLU 120 Ca -0.00 -0.71 0.03 0.00 -1.18 0.00 0.00 59.36 57.49 1njd h GLU 120 Cb 0.12 0.21 -0.05 0.00 -0.16 0.00 0.00 28.75 28.88 1njd h GLU 120 CO 0.01 1.30 0.50 0.93 -1.18 0.00 0.00 179.01 180.57 1njd h GLU 121 N 0.23 0.96 -0.31 1.92 4.39 -0.41 -2.11 114.58 119.24 1njd h GLU 121 Ca -0.14 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 1njd h GLU 121 Cb 1.68 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 30.10 1njd h GLU 121 CO 0.20 0.64 0.17 1.98 -1.16 0.00 0.00 179.01 180.83 1njd h MET 122 N 0.99 0.44 -0.95 2.33 4.05 -1.28 -2.24 114.93 118.28 1njd h MET 122 Ca 0.30 -0.05 0.18 0.00 -0.28 0.00 0.00 59.70 59.85 1njd h MET 122 Cb -0.02 -0.08 -0.08 0.00 -0.80 0.00 0.00 31.60 30.61 1njd h MET 122 CO -0.10 0.38 0.60 0.00 0.23 0.00 0.00 176.91 178.03 1njd h ALA 123 N 1.04 1.85 0.33 0.39 0.00 -0.76 -0.35 119.26 121.76 1njd h ALA 123 Ca 0.11 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1njd h ALA 123 Cb 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1njd h ALA 123 CO -0.02 -0.15 -0.16 0.87 0.00 0.00 0.00 179.25 179.79 1njd h LYS 124 N 0.67 -0.43 -0.21 0.00 1.57 -0.95 -2.78 116.57 114.44 1njd h LYS 124 Ca 0.51 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.37 1njd h LYS 124 Cb 0.89 0.10 -0.07 0.00 0.08 0.00 0.00 32.23 33.23 1njd h LYS 124 CO -0.27 -0.14 -0.37 0.35 -0.57 0.00 0.00 179.45 178.45 1njd h PHE 125 N -0.70 -1.04 -0.76 -1.35 3.57 -0.57 -1.07 116.94 115.03 1njd h PHE 125 Ca -0.05 0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.61 1njd h PHE 125 Cb 0.49 0.49 -0.08 0.00 2.79 0.00 0.00 35.95 39.64 1njd h PHE 125 CO 0.01 -0.43 0.39 -0.44 -2.23 0.00 0.00 178.31 175.61 1njd h ASP 126 N -0.39 0.51 -0.11 0.41 3.32 -1.19 -1.33 116.42 117.64 1njd h ASP 126 Ca 0.11 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.23 1njd h ASP 126 Cb 0.58 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1njd h ASP 126 CO -0.43 0.28 0.04 -0.78 -1.72 0.00 0.00 179.24 176.63 1njd h ASP 127 N 0.64 0.05 -0.35 6.45 3.58 -1.04 -1.78 116.42 123.97 1njd h ASP 127 Ca 0.38 0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.76 1njd h ASP 127 Cb 0.42 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 1njd h ASP 127 CO -0.28 0.05 -0.06 0.03 -2.88 0.00 0.00 179.24 176.10 1njd h ARG 128 N 0.10 0.75 -0.32 0.28 3.08 -0.66 -1.85 114.38 115.76 1njd h ARG 128 Ca 0.04 -0.22 -0.08 0.00 0.07 0.00 0.00 59.98 59.79 1njd h ARG 128 Cb 0.02 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1njd h ARG 128 CO -0.04 0.80 -0.13 0.28 -1.07 0.00 0.00 179.97 179.81 1njd h VAL 129 N 0.69 1.24 0.00 2.04 2.07 -1.05 0.88 116.25 122.12 1njd h VAL 129 Ca 0.13 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.57 1njd h VAL 129 Cb 0.51 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1njd h VAL 129 CO 0.03 0.36 0.00 -0.07 0.02 0.00 0.00 177.57 177.90 1njd h LEU 130 N 0.51 0.00 0.00 2.57 3.38 -0.88 -3.39 115.31 117.50 1njd h LEU 130 Ca 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1njd h LEU 130 Cb 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1njd h LEU 130 CO 0.03 0.00 -1.09 1.41 0.09 0.00 0.00 178.44 178.88 1njd n HIS 131 N -3.08 0.00 -2.69 1.13 8.25 -0.74 -4.95 115.22 113.15 1njd n HIS 131 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 1njd n HIS 131 Cb 0.37 -0.06 -0.03 0.00 1.12 0.00 0.00 29.99 31.39 1njd n HIS 131 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1njd s ASP 132 N -4.64 6.34 0.37 0.41 -1.08 0.30 -4.90 116.67 113.48 1njd s ASP 132 Ca -0.02 -1.14 0.13 0.00 -0.52 0.00 0.00 52.55 51.00 1njd s ASP 132 Cb 0.01 -2.50 0.95 0.00 -1.46 0.00 0.00 42.92 39.92 1njd s ASP 132 CO 0.03 -1.52 1.82 0.44 0.52 0.00 0.00 175.17 176.47 1njd h ASP 133 N 9.65 0.55 -0.13 -0.34 5.19 -1.85 0.18 116.42 129.67 1njd h ASP 133 Ca -0.07 0.06 -0.06 0.00 -0.62 0.00 0.00 57.03 56.34 1njd h ASP 133 Cb 1.04 -0.04 -0.00 0.00 0.18 0.00 0.00 39.33 40.51 1njd h ASP 133 CO 1.27 0.21 -0.16 0.00 -3.12 0.00 0.00 179.24 177.44 1njd h ALA 134 N 1.62 0.20 -0.93 3.45 0.00 -1.94 -1.67 119.26 119.99 1njd h ALA 134 Ca 0.51 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1njd h ALA 134 Cb 1.08 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1njd h ALA 134 CO -0.25 0.10 0.62 0.35 0.00 0.00 0.00 179.25 180.07 1njd h PHE 135 N -0.04 1.16 -0.20 0.00 3.57 -1.39 0.19 116.94 120.23 1njd h PHE 135 Ca 0.02 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1njd h PHE 135 Cb 0.71 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1njd h PHE 135 CO 0.09 0.72 0.05 0.00 -2.23 0.00 0.00 178.31 176.94 1njd h ALA 136 N 1.43 0.27 -0.12 2.41 0.00 -0.70 0.89 119.26 123.44 1njd h ALA 136 Ca 0.35 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1njd h ALA 136 Cb -0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1njd h ALA 136 CO -0.08 -0.08 -0.10 0.00 0.00 0.00 0.00 179.25 178.99 1njd h ALA 137 N 0.86 1.62 0.00 0.00 0.00 -0.53 0.62 119.26 121.83 1njd h ALA 137 Ca 0.06 -0.16 -0.22 0.00 0.00 0.00 0.00 54.91 54.59 1njd h ALA 137 Cb 0.28 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1njd h ALA 137 CO 0.00 0.28 -1.59 1.17 0.00 0.00 0.00 179.25 179.10 1njd n LYS 138 N -4.33 0.63 0.00 0.00 0.00 0.61 -4.47 118.16 110.59 1njd n LYS 138 Ca -0.01 0.23 0.00 0.00 0.00 0.00 0.00 58.31 58.53 1njd n LYS 138 Cb 0.23 -1.78 0.00 0.00 0.00 0.00 0.00 35.03 33.48 1njd n LYS 138 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1njd n TYR 139 N -2.92 0.00 0.37 5.64 4.01 0.31 -4.77 117.16 119.79 1njd n TYR 139 Ca -0.14 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.72 1njd n TYR 139 Cb 0.93 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.97 1njd n TYR 139 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1njd n GLY 140 N 0.29 -1.28 3.58 2.72 0.00 0.21 -4.78 105.19 105.93 1njd n GLY 140 Ca 0.00 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 1njd n GLY 140 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1njd s ASP 141 N -4.44 6.54 0.31 1.61 2.15 -1.05 -0.06 116.67 121.73 1njd s ASP 141 Ca 0.01 0.26 0.11 0.00 0.43 0.00 0.00 52.55 53.36 1njd s ASP 141 Cb 0.13 -2.43 0.50 0.00 -0.30 0.00 0.00 42.92 40.82 1njd s ASP 141 CO 0.80 -0.88 1.70 -0.07 -0.17 0.00 0.00 175.17 176.55 1njd h LEU 142 N 10.12 0.03 0.00 -1.34 3.38 -1.37 -3.48 115.31 122.64 1njd h LEU 142 Ca -0.24 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1njd h LEU 142 Cb 1.08 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1njd h LEU 142 CO 0.97 0.53 0.00 0.61 0.09 0.00 0.00 178.44 180.64 1njd n GLY 143 N -0.06 2.19 3.52 0.83 0.00 -1.25 -4.75 105.19 105.68 1njd n GLY 143 Ca -0.02 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 1njd n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1njd s LEU 144 N 0.00 4.39 0.18 0.99 1.43 -1.26 -4.65 118.68 119.76 1njd s LEU 144 Ca 0.00 -0.27 -0.24 0.00 -1.03 0.00 0.00 54.13 52.59 1njd s LEU 144 Cb 0.00 -2.83 0.05 0.00 0.03 0.00 0.00 46.19 43.45 1njd s LEU 144 CO 0.00 -0.88 0.79 0.54 0.23 0.00 0.00 176.35 177.03 1njd s VAL 145 N 3.10 0.00 0.36 -1.59 0.11 -1.26 -5.06 120.40 116.06 1njd s VAL 145 Ca 0.26 -0.58 0.18 0.00 -2.93 0.00 0.00 61.98 58.90 1njd s VAL 145 Cb -0.13 -1.68 0.35 0.00 -1.53 0.00 0.00 36.38 33.38 1njd s VAL 145 CO 0.20 0.00 1.61 1.88 -3.33 0.00 0.00 175.10 175.46 1njd h TYR 146 N 2.00 0.81 -0.34 1.54 0.05 -1.93 -1.23 116.97 117.88 1njd h TYR 146 Ca -0.24 0.04 -0.05 0.00 0.05 0.00 0.00 58.73 58.54 1njd h TYR 146 Cb 1.25 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 38.79 1njd h TYR 146 CO 0.36 -0.38 0.02 0.78 -1.05 0.00 0.00 178.16 177.89 1njd h GLY 147 N 0.11 0.63 2.00 3.88 0.00 -1.79 0.36 103.07 108.26 1njd h GLY 147 Ca 0.80 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 47.60 1njd h GLY 147 CO -0.72 0.41 -0.37 1.48 0.00 0.00 0.00 176.54 177.34 1njd h SER 148 N 0.40 0.00 0.13 0.19 4.64 -1.49 -0.58 113.55 116.85 1njd h SER 148 Ca 0.10 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.19 1njd h SER 148 Cb 0.41 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.53 1njd h SER 148 CO 0.01 0.37 -0.97 1.56 -0.87 0.00 0.00 176.83 176.94 1njd h GLN 149 N 0.00 0.42 -0.43 4.77 4.20 -1.03 0.17 115.11 123.20 1njd h GLN 149 Ca -0.00 -0.63 -0.15 0.00 0.06 0.00 0.00 58.65 57.93 1njd h GLN 149 Cb 0.97 0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 1njd h GLN 149 CO 0.05 1.28 -0.30 -1.49 -0.67 0.00 0.00 178.83 177.69 1njd h TRP 150 N -0.12 1.13 0.00 2.96 4.06 -0.28 -3.37 115.95 120.34 1njd h TRP 150 Ca -0.16 -0.31 0.00 0.00 2.06 0.00 0.00 58.89 60.48 1njd h TRP 150 Cb 1.73 -0.25 0.00 0.00 -1.00 0.00 0.00 29.16 29.63 1njd h TRP 150 CO 0.16 1.14 0.00 0.54 -3.56 0.00 0.00 178.44 176.72 1njd n ARG 151 N -4.08 4.49 -2.72 0.49 1.74 -0.23 -1.59 116.66 114.76 1njd n ARG 151 Ca -0.01 -0.11 -0.06 0.00 -0.77 0.00 0.00 57.85 56.90 1njd n ARG 151 Cb 0.50 -0.57 0.04 0.00 -1.02 0.00 0.00 32.46 31.42 1njd n ARG 151 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1njd n ALA 152 N -0.67 3.12 -1.66 7.54 0.00 -0.03 -3.65 120.51 125.15 1njd n ALA 152 Ca 0.00 -3.01 -0.43 0.00 0.00 0.00 0.00 53.44 50.00 1njd n ALA 152 Cb 0.01 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 1njd n ALA 152 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1njd s TRP 153 N -3.48 1.25 -0.08 0.00 -0.11 -0.22 -4.55 118.94 111.75 1njd s TRP 153 Ca 0.28 0.57 -0.30 0.00 1.22 0.00 0.00 56.10 57.88 1njd s TRP 153 Cb 0.39 -3.95 -0.05 0.00 -1.50 0.00 0.00 33.47 28.36 1njd s TRP 153 CO -0.01 -3.90 1.62 -1.01 -4.62 0.00 0.00 176.95 169.03 1njd s HIS 154 N 8.18 2.06 0.68 5.86 3.76 -1.26 0.39 115.29 134.96 1njd s HIS 154 Ca 0.98 0.30 -0.11 0.00 -0.15 0.00 0.00 55.06 56.08 1njd s HIS 154 Cb -0.31 -3.88 -0.00 0.00 1.11 0.00 0.00 32.58 29.49 1njd s HIS 154 CO 0.35 -3.57 1.06 0.99 -0.85 0.00 0.00 174.74 172.72 1njd s THR 155 N 4.14 4.07 -1.37 1.30 2.01 -0.65 -4.93 115.64 120.21 1njd s THR 155 Ca 0.72 0.67 -0.08 0.00 0.31 0.00 0.00 61.69 63.30 1njd s THR 155 Cb -0.31 -3.56 -0.06 0.00 0.01 0.00 0.00 72.50 68.58 1njd s THR 155 CO 0.28 -0.88 2.90 -1.20 -0.69 0.00 0.00 174.62 175.03 1njd n SER 156 N -3.00 8.22 0.00 3.53 7.64 -1.26 -3.33 113.62 125.42 1njd n SER 156 Ca 0.07 -2.71 0.00 0.00 1.01 0.00 0.00 58.87 57.24 1njd n SER 156 Cb 0.55 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 1njd n SER 156 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1njd n LYS 157 N 2.98 0.00 0.00 1.43 5.02 -1.26 -5.00 118.16 121.32 1njd n LYS 157 Ca 0.71 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 57.00 1njd n LYS 157 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.32 1njd n LYS 157 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1njd n GLY 158 N 0.00 0.89 2.72 0.72 0.00 -1.21 -4.95 105.19 103.35 1njd n GLY 158 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1njd n GLY 158 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1njd n ASP 159 N 1.18 -3.18 -3.78 1.61 8.00 -1.26 -4.70 116.55 114.42 1njd n ASP 159 Ca 0.00 -0.50 -0.13 0.00 0.71 0.00 0.00 54.79 54.88 1njd n ASP 159 Cb 0.00 -0.73 -0.12 0.00 -0.02 0.00 0.00 41.12 40.25 1njd n ASP 159 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1njd s THR 160 N -1.92 -0.00 -0.13 -3.53 2.01 -1.26 -1.63 115.64 109.18 1njd s THR 160 Ca 0.38 0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.40 1njd s THR 160 Cb -0.07 -0.36 -0.01 0.00 0.01 0.00 0.00 72.50 72.07 1njd s THR 160 CO 0.32 0.00 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.47 1njd s ILE 161 N 0.22 2.86 -1.17 1.82 1.01 0.16 -4.86 121.20 121.26 1njd s ILE 161 Ca -0.01 -0.73 -0.12 0.00 0.00 0.00 0.00 60.65 59.79 1njd s ILE 161 Cb -0.02 -2.19 0.21 0.00 0.01 0.00 0.00 42.46 40.46 1njd s ILE 161 CO -0.00 0.53 1.31 -0.62 0.00 0.00 0.00 174.94 176.16 1njd s ASP 162 N 0.39 7.15 0.08 3.58 -1.08 -1.24 -1.05 116.67 124.49 1njd s ASP 162 Ca -0.12 -3.18 -0.22 0.00 -0.52 0.00 0.00 52.55 48.51 1njd s ASP 162 Cb -0.16 -2.33 -0.08 0.00 -1.46 0.00 0.00 42.92 38.88 1njd s ASP 162 CO 0.06 -0.59 1.37 1.56 0.52 0.00 0.00 175.17 178.08 1njd h GLN 163 N 7.03 -0.33 -0.76 4.34 4.20 -1.55 -1.71 115.11 126.34 1njd h GLN 163 Ca 0.26 0.02 0.14 0.00 0.06 0.00 0.00 58.65 59.13 1njd h GLN 163 Cb 0.88 0.07 -0.09 0.00 0.30 0.00 0.00 27.48 28.64 1njd h GLN 163 CO 1.16 -0.22 0.32 1.25 -0.67 0.00 0.00 178.83 180.67 1njd h LEU 164 N -0.34 0.33 -0.51 1.46 6.46 -1.64 -1.39 115.31 119.67 1njd h LEU 164 Ca 0.03 0.10 0.06 0.00 -0.12 0.00 0.00 57.88 57.95 1njd h LEU 164 Cb 0.43 0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.37 1njd h LEU 164 CO -0.33 0.14 0.22 1.23 -0.62 0.00 0.00 178.44 179.08 1njd h GLY 165 N 0.48 0.71 0.98 3.75 0.00 -1.60 -1.09 103.07 106.30 1njd h GLY 165 Ca 0.41 -0.14 -0.15 0.00 0.00 0.00 0.00 47.33 47.45 1njd h GLY 165 CO -0.38 0.06 -0.45 -0.55 0.00 0.00 0.00 176.54 175.22 1njd h ASP 166 N 0.43 0.75 -0.15 0.19 3.32 -0.68 -2.73 116.42 117.55 1njd h ASP 166 Ca 0.24 -0.55 0.04 0.00 0.02 0.00 0.00 57.03 56.77 1njd h ASP 166 Cb 0.21 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 1njd h ASP 166 CO -0.20 1.17 -0.09 0.58 -1.72 0.00 0.00 179.24 178.98 1njd h VAL 167 N 0.37 0.72 -0.91 -1.35 2.07 -0.94 0.34 116.25 116.56 1njd h VAL 167 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 1njd h VAL 167 Cb 1.05 0.72 -0.07 0.00 -1.52 0.00 0.00 31.29 31.48 1njd h VAL 167 CO 0.10 0.00 0.58 0.40 0.02 0.00 0.00 177.57 178.67 1njd h ILE 168 N -0.08 0.98 -0.43 4.57 2.04 -1.22 0.22 117.51 123.58 1njd h ILE 168 Ca 0.09 -0.31 -0.09 0.00 1.00 0.00 0.00 64.86 65.55 1njd h ILE 168 Cb 0.21 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 1njd h ILE 168 CO -0.21 0.17 -0.09 -0.08 0.00 0.00 0.00 178.15 177.95 1njd h GLU 169 N 0.91 0.81 -0.31 2.37 4.22 -0.84 -2.80 114.58 118.95 1njd h GLU 169 Ca 0.42 -0.30 -0.03 0.00 0.08 0.00 0.00 59.36 59.53 1njd h GLU 169 Cb 0.39 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1njd h GLU 169 CO -0.18 0.92 0.07 1.96 -2.18 0.00 0.00 179.01 179.60 1njd h GLN 170 N 0.64 0.45 -0.27 1.92 1.08 0.17 -0.92 115.11 118.18 1njd h GLN 170 Ca 0.11 -0.07 -0.07 0.00 -1.45 0.00 0.00 58.65 57.17 1njd h GLN 170 Cb 0.61 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.95 1njd h GLN 170 CO 0.04 0.43 -0.15 0.82 -0.95 0.00 0.00 178.83 179.02 1njd h ILE 171 N 0.44 1.23 0.22 2.54 2.04 -0.42 0.71 117.51 124.27 1njd h ILE 171 Ca 0.11 -1.04 -0.29 0.00 1.00 0.00 0.00 64.86 64.64 1njd h ILE 171 Cb 0.19 1.20 0.03 0.00 -0.74 0.00 0.00 36.82 37.50 1njd h ILE 171 CO -0.00 0.34 -1.25 0.11 0.00 0.00 0.00 178.15 177.34 1njd h LYS 172 N 0.42 0.46 0.00 2.37 1.57 -1.09 -2.85 116.57 117.45 1njd h LYS 172 Ca 0.08 -0.79 0.00 0.00 -1.87 0.00 0.00 60.65 58.07 1njd h LYS 172 Cb 0.51 0.29 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1njd h LYS 172 CO 0.03 1.38 -0.74 1.79 -0.57 0.00 0.00 179.45 181.34 1njd h THR 173 N -0.03 0.00 -0.49 -0.16 1.35 -1.16 -3.41 112.91 109.00 1njd h THR 173 Ca -0.22 -0.52 -0.30 0.00 -0.55 0.00 0.00 66.41 64.82 1njd h THR 173 Cb 1.99 1.04 -0.20 0.00 -1.73 0.00 0.00 68.15 69.24 1njd h THR 173 CO 0.23 0.00 -0.64 1.41 -0.25 0.00 0.00 175.52 176.28 1njd n HIS 174 N -2.12 -2.55 -0.23 4.73 8.25 0.25 -5.02 115.22 118.53 1njd n HIS 174 Ca 0.03 -2.25 0.14 0.00 -0.26 0.00 0.00 57.72 55.38 1njd n HIS 174 Cb 0.45 1.11 0.45 0.00 1.12 0.00 0.00 29.99 33.11 1njd n HIS 174 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1njd h PRO 175 N 3.84 0.53 -0.82 -0.41 0.13 -1.55 -1.90 132.00 131.82 1njd h PRO 175 Ca -0.09 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1njd h PRO 175 Cb 1.01 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1njd h PRO 175 CO 0.34 0.35 0.00 0.66 -0.23 0.00 0.00 178.00 179.12 1njd n TYR 176 N -4.52 0.50 -2.37 1.56 4.01 -1.26 -3.69 117.16 111.37 1njd n TYR 176 Ca 0.17 -0.18 -0.42 0.00 -0.16 0.00 0.00 57.90 57.31 1njd n TYR 176 Cb 0.53 -0.18 -0.03 0.00 -0.31 0.00 0.00 39.34 39.35 1njd n TYR 176 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1njd s SER 177 N -0.29 6.97 0.00 7.72 0.15 -0.72 -4.88 113.70 122.65 1njd s SER 177 Ca 0.14 1.89 0.14 0.00 0.70 0.00 0.00 55.95 58.82 1njd s SER 177 Cb 0.10 -2.55 0.68 0.00 -1.71 0.00 0.00 66.02 62.54 1njd s SER 177 CO 0.05 -0.66 1.46 0.54 1.20 0.00 0.00 173.24 175.83 1njd n ARG 178 N 5.54 1.29 -0.61 5.44 1.74 -1.26 -3.60 116.66 125.20 1njd n ARG 178 Ca 0.12 -0.45 0.02 0.00 -0.77 0.00 0.00 57.85 56.78 1njd n ARG 178 Cb 0.45 -1.25 0.23 0.00 -1.02 0.00 0.00 32.46 30.87 1njd n ARG 178 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1njd n ARG 179 N -0.27 2.47 -1.40 5.56 3.00 -1.26 -4.84 116.66 119.91 1njd n ARG 179 Ca 0.11 -2.98 -0.36 0.00 -0.01 0.00 0.00 57.85 54.62 1njd n ARG 179 Cb 0.15 -1.85 -0.04 0.00 0.00 0.00 0.00 32.46 30.72 1njd n ARG 179 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1njd n LEU 180 N -0.78 8.26 -4.71 0.55 4.77 -1.24 -4.91 117.00 118.93 1njd n LEU 180 Ca 0.27 -4.33 -0.33 0.00 -0.03 0.00 0.00 56.01 51.60 1njd n LEU 180 Cb 0.98 -1.51 -0.08 0.00 -2.33 0.00 0.00 43.42 40.48 1njd n LEU 180 CO 0.19 2.03 -0.30 -0.63 -1.33 0.00 0.00 177.39 177.35 1njd s ILE 181 N 1.39 4.32 -0.09 -0.08 1.09 -1.26 -1.64 121.20 124.94 1njd s ILE 181 Ca 0.67 -0.54 0.03 0.00 -1.10 0.00 0.00 60.65 59.71 1njd s ILE 181 Cb 0.20 -2.94 0.01 0.00 -1.06 0.00 0.00 42.46 38.67 1njd s ILE 181 CO -0.06 0.38 -0.17 -0.69 -0.10 0.00 0.00 174.94 174.30 1njd s VAL 182 N -1.11 1.53 -0.07 2.92 1.01 -0.86 -4.98 120.40 118.84 1njd s VAL 182 Ca 0.20 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.52 1njd s VAL 182 Cb -0.12 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 1njd s VAL 182 CO 0.11 0.44 -0.16 -0.55 0.00 0.00 0.00 175.10 174.95 1njd s SER 183 N 0.69 3.86 -0.00 3.32 0.15 -1.26 -2.13 113.70 118.33 1njd s SER 183 Ca -0.13 -0.29 0.21 0.00 0.70 0.00 0.00 55.95 56.44 1njd s SER 183 Cb -0.16 -1.06 -0.23 0.00 -1.71 0.00 0.00 66.02 62.86 1njd s SER 183 CO 0.03 0.28 0.88 0.00 1.20 0.00 0.00 173.24 175.63 1njd n ALA 184 N 2.76 4.63 -2.57 5.45 0.00 -0.46 -4.79 120.51 125.54 1njd n ALA 184 Ca -0.17 -0.59 -0.42 0.00 0.00 0.00 0.00 53.44 52.25 1njd n ALA 184 Cb 0.52 -0.77 -0.06 0.00 0.00 0.00 0.00 19.45 19.14 1njd n ALA 184 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1njd s TRP 185 N -3.04 3.13 -0.22 0.00 -0.11 -1.21 -4.76 118.94 112.74 1njd s TRP 185 Ca 0.07 0.35 0.02 0.00 1.22 0.00 0.00 56.10 57.76 1njd s TRP 185 Cb 0.16 -3.21 0.04 0.00 -1.50 0.00 0.00 33.47 28.96 1njd s TRP 185 CO 0.87 -0.67 -0.15 1.21 -4.62 0.00 0.00 176.95 173.59 1njd s ASN 186 N 1.82 3.80 0.31 5.86 3.84 -1.26 -5.03 114.94 124.28 1njd s ASN 186 Ca 0.26 -1.04 0.08 0.00 0.21 0.00 0.00 52.86 52.37 1njd s ASN 186 Cb -0.14 -1.49 0.85 0.00 -0.55 0.00 0.00 41.25 39.92 1njd s ASN 186 CO 0.16 -0.11 1.74 -0.65 -2.79 0.00 0.00 177.10 175.45 1njd h PRO 187 N 7.86 0.59 -0.46 0.43 0.11 -2.00 -1.18 132.00 137.35 1njd h PRO 187 Ca -0.31 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.71 1njd h PRO 187 Cb 1.09 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 1njd h PRO 187 CO 0.53 0.39 0.08 0.93 -0.21 0.00 0.00 178.00 179.73 1njd h GLU 188 N 0.61 0.72 0.10 1.05 5.08 -2.02 -3.23 114.58 116.89 1njd h GLU 188 Ca 0.63 -0.15 -0.19 0.00 -1.00 0.00 0.00 59.36 58.65 1njd h GLU 188 Cb 1.15 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 30.30 1njd h GLU 188 CO -0.46 0.68 -0.89 -0.44 -1.00 0.00 0.00 179.01 176.90 1njd h ASP 189 N 0.69 0.34 -0.66 1.42 3.32 -1.59 -3.40 116.42 116.55 1njd h ASP 189 Ca 0.15 -0.90 0.23 0.00 0.02 0.00 0.00 57.03 56.52 1njd h ASP 189 Cb 0.31 -0.11 -0.12 0.00 0.22 0.00 0.00 39.33 39.63 1njd h ASP 189 CO 0.00 1.40 0.18 0.52 -1.72 0.00 0.00 179.24 179.62 1njd n VAL 190 N -4.16 -0.28 0.02 -1.35 0.31 -0.57 0.81 118.33 113.11 1njd n VAL 190 Ca -0.18 1.40 -0.19 0.00 -0.01 0.00 0.00 64.34 65.36 1njd n VAL 190 Cb 0.78 -2.15 -0.09 0.00 -0.91 0.00 0.00 33.84 31.48 1njd n VAL 190 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1njd h PRO 191 N 0.00 0.72 -2.97 5.55 0.11 -1.76 -3.33 132.00 130.32 1njd h PRO 191 Ca 0.48 -0.70 -0.78 0.00 0.11 0.00 0.00 66.00 65.10 1njd h PRO 191 Cb 1.14 0.18 -0.21 0.00 0.11 0.00 0.00 31.00 32.22 1njd h PRO 191 CO -0.57 1.29 1.51 2.41 -0.21 0.00 0.00 178.00 182.44 1njd n THR 192 N -3.91 5.10 -3.72 -1.15 -1.04 0.24 -4.92 114.28 104.89 1njd n THR 192 Ca -0.10 -5.16 -0.13 0.00 -2.04 0.00 0.00 64.05 56.62 1njd n THR 192 Cb 0.82 -2.10 -0.09 0.00 -1.82 0.00 0.00 70.33 67.14 1njd n THR 192 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1njd s MET 193 N -1.67 0.55 0.03 -2.82 -1.94 -1.15 -4.85 119.30 107.46 1njd s MET 193 Ca 0.39 0.49 -0.21 0.00 -1.71 0.00 0.00 55.69 54.65 1njd s MET 193 Cb 0.11 0.26 -0.15 0.00 2.01 0.00 0.00 34.83 37.06 1njd s MET 193 CO 0.01 -0.09 1.32 0.00 -0.01 0.00 0.00 175.02 176.25 1njd h ALA 194 N 5.15 0.20 -2.44 3.03 0.00 -1.91 -3.41 119.26 119.87 1njd h ALA 194 Ca -0.27 -0.33 -0.50 0.00 0.00 0.00 0.00 54.91 53.80 1njd h ALA 194 Cb 1.18 -0.04 -0.37 0.00 0.00 0.00 0.00 17.79 18.56 1njd h ALA 194 CO 0.26 0.09 -0.78 -1.17 0.00 0.00 0.00 179.25 177.65 1njd s LEU 195 N -9.06 0.53 0.32 0.00 0.20 -1.26 -5.13 118.68 104.29 1njd s LEU 195 Ca -0.14 -1.74 -0.29 0.00 0.69 0.00 0.00 54.13 52.66 1njd s LEU 195 Cb 0.05 -0.08 -0.12 0.00 -0.43 0.00 0.00 46.19 45.60 1njd s LEU 195 CO 0.75 -0.33 1.34 -0.81 -0.29 0.00 0.00 176.35 177.01 1njd n PRO 196 N 4.45 2.18 -1.58 0.98 -0.04 -1.26 -4.77 135.00 134.96 1njd n PRO 196 Ca 0.07 0.77 -0.64 0.00 -0.04 0.00 0.00 63.50 63.66 1njd n PRO 196 Cb 0.41 -2.39 -0.10 0.00 -0.04 0.00 0.00 33.50 31.38 1njd n PRO 196 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1njd n PRO 197 N 0.92 0.17 0.03 0.54 -0.04 -1.26 -4.84 135.00 130.52 1njd n PRO 197 Ca 0.06 0.06 -0.03 0.00 -0.04 0.00 0.00 63.50 63.55 1njd n PRO 197 Cb 0.35 -1.61 0.21 0.00 -0.04 0.00 0.00 33.50 32.42 1njd n PRO 197 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1njd n HIS 199 N -4.11 5.01 -0.20 0.00 8.25 -1.26 -2.82 115.22 120.09 1njd n HIS 199 Ca -0.01 -3.75 -0.01 0.00 -0.26 0.00 0.00 57.72 53.70 1njd n HIS 199 Cb 0.41 -1.73 0.10 0.00 1.12 0.00 0.00 29.99 29.89 1njd n HIS 199 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1njd h THR 200 N 3.73 0.81 -1.68 1.59 2.02 -1.58 -3.41 112.91 114.38 1njd h THR 200 Ca 0.20 -0.15 0.04 0.00 0.77 0.00 0.00 66.41 67.27 1njd h THR 200 Cb 0.85 0.33 -0.22 0.00 -1.74 0.00 0.00 68.15 67.36 1njd h THR 200 CO 1.07 0.08 0.44 -0.22 0.37 0.00 0.00 175.52 177.27 1njd s LEU 201 N -10.37 -0.46 0.03 2.58 0.20 -1.17 -1.35 118.68 108.15 1njd s LEU 201 Ca -0.13 0.52 -0.02 0.00 0.69 0.00 0.00 54.13 55.19 1njd s LEU 201 Cb 0.17 2.05 -0.02 0.00 -0.43 0.00 0.00 46.19 47.95 1njd s LEU 201 CO 0.74 -0.40 0.01 -0.72 -0.29 0.00 0.00 176.35 175.70 1njd s TYR 202 N -1.04 0.32 -0.02 5.38 1.13 -0.90 -0.17 117.35 122.04 1njd s TYR 202 Ca -0.04 -0.68 0.01 0.00 -1.41 0.00 0.00 57.07 54.96 1njd s TYR 202 Cb -0.01 -0.23 0.01 0.00 -1.10 0.00 0.00 41.96 40.63 1njd s TYR 202 CO 0.03 -0.30 -0.04 -1.14 -2.51 0.00 0.00 175.55 171.59 1njd s GLN 203 N -2.56 0.54 0.31 -3.49 0.74 0.73 -2.03 119.66 113.90 1njd s GLN 203 Ca -0.06 -0.12 0.02 0.00 0.05 0.00 0.00 55.36 55.25 1njd s GLN 203 Cb -0.02 -0.57 -0.03 0.00 1.10 0.00 0.00 33.01 33.49 1njd s GLN 203 CO -0.05 0.01 0.48 -0.06 -0.55 0.00 0.00 175.29 175.13 1njd s PHE 204 N 0.40 3.48 -0.16 1.67 0.08 -0.65 -0.56 117.98 122.24 1njd s PHE 204 Ca -0.05 0.22 -0.16 0.00 0.12 0.00 0.00 56.93 57.06 1njd s PHE 204 Cb -0.08 -1.78 0.04 0.00 -0.57 0.00 0.00 43.02 40.63 1njd s PHE 204 CO -0.00 0.23 0.46 -0.47 -0.10 0.00 0.00 175.22 175.34 1njd s TYR 205 N -2.20 -0.49 -0.10 0.36 5.04 -0.57 -4.57 117.35 114.82 1njd s TYR 205 Ca 0.38 1.17 0.02 0.00 -2.44 0.00 0.00 57.07 56.20 1njd s TYR 205 Cb -0.09 0.18 0.01 0.00 0.35 0.00 0.00 41.96 42.40 1njd s TYR 205 CO 0.34 -0.26 -0.15 0.08 -1.34 0.00 0.00 175.55 174.21 1njd s VAL 206 N 0.10 1.45 -0.24 3.14 1.01 -1.24 -1.35 120.40 123.27 1njd s VAL 206 Ca -0.01 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.21 1njd s VAL 206 Cb -0.03 -1.32 0.07 0.00 0.00 0.00 0.00 36.38 35.10 1njd s VAL 206 CO 0.01 0.43 0.57 0.21 0.00 0.00 0.00 175.10 176.32 1njd s ASN 207 N 0.86 -0.77 -1.46 3.32 3.84 -0.93 -4.64 114.94 115.16 1njd s ASN 207 Ca -0.10 1.26 0.00 0.00 0.21 0.00 0.00 52.86 54.24 1njd s ASN 207 Cb -0.15 1.17 0.00 0.00 -0.55 0.00 0.00 41.25 41.72 1njd s ASN 207 CO 0.01 -0.22 0.00 0.47 -2.79 0.00 0.00 177.10 174.57 1njd n ASP 208 N 4.36 -4.78 0.00 -4.21 8.00 -1.26 -1.99 116.55 116.66 1njd n ASP 208 Ca -0.21 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1njd n ASP 208 Cb 0.57 -3.83 0.00 0.00 -0.02 0.00 0.00 41.12 37.84 1njd n ASP 208 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1njd n GLY 209 N -1.02 0.69 3.63 0.44 0.00 -1.26 -4.99 105.19 102.68 1njd n GLY 209 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 1njd n GLY 209 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1njd s LYS 210 N -0.14 3.29 -0.25 1.61 1.02 -0.84 -0.20 119.74 124.23 1njd s LYS 210 Ca 0.00 -0.42 -0.09 0.00 0.02 0.00 0.00 55.97 55.48 1njd s LYS 210 Cb 0.00 -2.88 -0.04 0.00 -0.52 0.00 0.00 37.83 34.39 1njd s LYS 210 CO 0.00 0.54 0.12 -1.17 -0.92 0.00 0.00 175.35 173.92 1njd s LEU 211 N -0.42 3.77 0.29 3.17 2.96 0.37 -2.18 118.68 126.64 1njd s LEU 211 Ca 0.08 -0.06 0.08 0.00 -0.22 0.00 0.00 54.13 54.01 1njd s LEU 211 Cb -0.12 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 1njd s LEU 211 CO 0.02 -0.00 0.11 -0.44 -1.32 0.00 0.00 176.35 174.72 1njd s SER 212 N 1.44 4.85 -0.08 3.68 0.01 -0.46 0.56 113.70 123.70 1njd s SER 212 Ca 0.06 -0.59 -0.06 0.00 1.31 0.00 0.00 55.95 56.66 1njd s SER 212 Cb -0.15 -0.93 0.02 0.00 0.21 0.00 0.00 66.02 65.17 1njd s SER 212 CO 0.06 -0.13 0.20 -0.22 0.41 0.00 0.00 173.24 173.56 1njd s LEU 213 N -3.79 1.11 -0.05 2.44 0.20 -0.62 -1.51 118.68 116.45 1njd s LEU 213 Ca 0.34 0.40 0.06 0.00 0.69 0.00 0.00 54.13 55.63 1njd s LEU 213 Cb -0.05 0.66 -0.01 0.00 -0.43 0.00 0.00 46.19 46.36 1njd s LEU 213 CO 0.22 -0.09 -0.23 -1.58 -0.29 0.00 0.00 176.35 174.38 1njd s GLN 214 N 0.32 2.31 -0.10 1.98 0.74 0.27 -0.41 119.66 124.78 1njd s GLN 214 Ca -0.02 -0.84 0.03 0.00 0.05 0.00 0.00 55.36 54.58 1njd s GLN 214 Cb -0.03 -2.00 -0.01 0.00 1.10 0.00 0.00 33.01 32.07 1njd s GLN 214 CO -0.01 0.38 -0.21 -1.17 -0.55 0.00 0.00 175.29 173.72 1njd s LEU 215 N -0.19 2.27 -0.33 3.68 1.98 0.11 -0.19 118.68 126.00 1njd s LEU 215 Ca -0.02 -0.49 -0.12 0.00 -2.89 0.00 0.00 54.13 50.62 1njd s LEU 215 Cb -0.13 -1.46 -0.01 0.00 0.66 0.00 0.00 46.19 45.25 1njd s LEU 215 CO 0.03 0.17 0.21 -0.47 -1.89 0.00 0.00 176.35 174.40 1njd s TYR 216 N 0.29 3.21 -0.33 5.38 5.04 0.77 -0.58 117.35 131.14 1njd s TYR 216 Ca -0.15 -0.38 -0.03 0.00 -2.44 0.00 0.00 57.07 54.07 1njd s TYR 216 Cb -0.17 -2.44 0.05 0.00 0.35 0.00 0.00 41.96 39.76 1njd s TYR 216 CO 0.08 -0.41 0.06 -1.14 -1.34 0.00 0.00 175.55 172.80 1njd s GLN 217 N 1.68 2.44 0.53 4.97 0.74 0.17 -2.77 119.66 127.43 1njd s GLN 217 Ca 0.05 -1.31 0.23 0.00 0.05 0.00 0.00 55.36 54.39 1njd s GLN 217 Cb -0.17 -3.33 1.46 0.00 1.10 0.00 0.00 33.01 32.07 1njd s GLN 217 CO 0.09 -0.69 2.14 0.07 -0.55 0.00 0.00 175.29 176.35 1njd h ARG 218 N 8.08 0.00 -2.81 1.67 0.11 -1.82 0.31 114.38 119.91 1njd h ARG 218 Ca -0.21 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.74 1njd h ARG 218 Cb 1.07 0.00 -0.25 0.00 1.11 0.00 0.00 29.97 31.89 1njd h ARG 218 CO 0.58 0.06 -0.31 0.45 0.10 0.00 0.00 179.97 180.85 1njd s SER 219 N -6.53 -0.41 -0.12 0.08 0.15 -1.26 -1.16 113.70 104.45 1njd s SER 219 Ca -0.04 0.76 -0.11 0.00 0.70 0.00 0.00 55.95 57.25 1njd s SER 219 Cb 0.15 0.72 0.03 0.00 -1.71 0.00 0.00 66.02 65.22 1njd s SER 219 CO 0.61 -0.15 0.33 0.00 1.20 0.00 0.00 173.24 175.24 1njd s ALA 220 N 0.60 -0.82 -0.49 5.45 0.00 -1.03 -4.87 121.76 120.61 1njd s ALA 220 Ca -0.03 0.94 -0.18 0.00 0.00 0.00 0.00 51.96 52.69 1njd s ALA 220 Cb -0.05 -0.55 0.06 0.00 0.00 0.00 0.00 23.12 22.58 1njd s ALA 220 CO -0.04 -0.16 0.53 0.34 0.00 0.00 0.00 175.76 176.43 1njd s ASP 221 N 0.20 6.20 0.21 0.00 -1.08 -1.26 -0.14 116.67 120.80 1njd s ASP 221 Ca -0.00 -1.03 -0.12 0.00 -0.52 0.00 0.00 52.55 50.88 1njd s ASP 221 Cb -0.02 -2.25 0.27 0.00 -1.46 0.00 0.00 42.92 39.45 1njd s ASP 221 CO 0.00 -0.78 1.65 0.40 0.52 0.00 0.00 175.17 176.96 1njd h ILE 222 N 5.81 0.45 0.05 4.11 1.08 -1.56 -0.12 117.51 127.33 1njd h ILE 222 Ca -0.28 -0.02 -0.00 0.00 -0.39 0.00 0.00 64.86 64.17 1njd h ILE 222 Cb 1.10 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 35.23 1njd h ILE 222 CO 0.92 0.01 -0.02 0.15 -0.69 0.00 0.00 178.15 178.52 1njd h PHE 223 N 0.06 -0.06 0.02 1.37 3.57 -1.94 -3.32 116.94 116.65 1njd h PHE 223 Ca 0.31 -0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.60 1njd h PHE 223 Cb 0.49 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 1njd h PHE 223 CO -0.42 -0.04 -0.97 -0.07 -2.23 0.00 0.00 178.31 174.59 1njd h LEU 224 N -0.16 0.16 0.00 0.59 3.38 -1.97 -3.40 115.31 113.92 1njd h LEU 224 Ca -0.01 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1njd h LEU 224 Cb 0.05 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1njd h LEU 224 CO 0.01 1.03 -0.38 1.23 0.09 0.00 0.00 178.44 180.43 1njd h GLY 225 N 2.25 0.00 -0.14 0.83 0.00 -1.35 -3.41 103.07 101.26 1njd h GLY 225 Ca -0.04 0.00 0.21 0.00 0.00 0.00 0.00 47.33 47.50 1njd h GLY 225 CO 0.14 0.00 0.42 -2.08 0.00 0.00 0.00 176.54 175.02 1njd h VAL 226 N -1.00 0.52 -0.63 4.60 2.07 -1.19 -1.82 116.25 118.79 1njd h VAL 226 Ca -0.07 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.33 1njd h VAL 226 Cb 0.60 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1njd h VAL 226 CO -0.04 0.08 0.37 -0.65 0.02 0.00 0.00 177.57 177.36 1njd h PRO 227 N 0.45 0.70 -0.36 1.57 0.11 -1.78 0.92 132.00 133.62 1njd h PRO 227 Ca 0.56 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.49 1njd h PRO 227 Cb 1.02 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 1njd h PRO 227 CO -0.50 0.47 -0.30 0.74 -0.21 0.00 0.00 178.00 178.19 1njd h PHE 228 N 0.72 1.00 -0.74 0.65 -1.00 -1.65 -2.96 116.94 112.96 1njd h PHE 228 Ca 0.26 -0.29 -0.00 0.00 2.81 0.00 0.00 57.97 60.75 1njd h PHE 228 Cb 0.07 -0.22 -0.04 0.00 3.61 0.00 0.00 35.95 39.37 1njd h PHE 228 CO -0.06 1.07 0.46 -0.44 -1.61 0.00 0.00 178.31 177.73 1njd h ASP 229 N 0.64 0.88 -0.47 2.17 3.32 -0.58 0.45 116.42 122.83 1njd h ASP 229 Ca 0.06 -0.04 -0.12 0.00 0.02 0.00 0.00 57.03 56.95 1njd h ASP 229 Cb 0.88 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 1njd h ASP 229 CO 0.08 0.67 -0.19 0.40 -1.72 0.00 0.00 179.24 178.48 1njd h ILE 230 N 1.02 1.27 0.37 0.35 2.04 -0.84 -3.08 117.51 118.64 1njd h ILE 230 Ca 0.27 -1.35 -0.02 0.00 1.00 0.00 0.00 64.86 64.76 1njd h ILE 230 Cb -0.06 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1njd h ILE 230 CO -0.05 0.46 -0.18 0.00 0.00 0.00 0.00 178.15 178.38 1njd h ALA 231 N 0.86 -0.50 -0.97 1.87 0.00 -1.23 -0.50 119.26 118.79 1njd h ALA 231 Ca 0.11 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 55.01 1njd h ALA 231 Cb 0.76 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 1njd h ALA 231 CO 0.06 -0.69 0.59 0.77 0.00 0.00 0.00 179.25 179.98 1njd h SER 232 N -0.67 0.80 0.59 0.00 0.02 -0.99 -1.86 113.55 111.44 1njd h SER 232 Ca -0.05 0.07 -0.28 0.00 -0.84 0.00 0.00 61.79 60.69 1njd h SER 232 Cb 0.48 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 1njd h SER 232 CO 0.08 0.36 -1.47 1.88 -1.14 0.00 0.00 176.83 176.54 1njd h TYR 233 N 0.84 0.20 -0.02 3.45 -1.99 -1.49 -2.36 116.97 115.59 1njd h TYR 233 Ca 0.52 -0.15 -0.08 0.00 2.00 0.00 0.00 58.73 61.03 1njd h TYR 233 Cb 0.67 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.38 1njd h TYR 233 CO -0.02 1.19 -0.35 0.00 -0.00 0.00 0.00 178.16 178.98 1njd h ALA 234 N 0.76 1.38 -0.02 3.88 0.00 -0.87 -1.40 119.26 122.98 1njd h ALA 234 Ca -0.20 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1njd h ALA 234 Cb 1.95 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.68 1njd h ALA 234 CO 0.13 0.46 -0.03 1.25 0.00 0.00 0.00 179.25 181.05 1njd h LEU 235 N 0.04 0.06 -1.53 0.00 6.46 -1.40 -2.63 115.31 116.32 1njd h LEU 235 Ca 0.00 -0.53 0.07 0.00 -0.12 0.00 0.00 57.88 57.30 1njd h LEU 235 Cb 0.64 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.51 1njd h LEU 235 CO 0.05 0.59 0.41 0.25 -0.62 0.00 0.00 178.44 179.11 1njd h LEU 236 N -0.46 0.50 -0.46 2.25 6.46 -1.15 0.36 115.31 122.81 1njd h LEU 236 Ca 0.00 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.73 1njd h LEU 236 Cb 0.57 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.38 1njd h LEU 236 CO 0.01 0.32 0.13 0.74 -0.62 0.00 0.00 178.44 179.01 1njd h THR 237 N 0.56 1.23 0.11 1.05 2.02 -1.19 -1.25 112.91 115.45 1njd h THR 237 Ca 0.27 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 1njd h THR 237 Cb 0.35 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1njd h THR 237 CO -0.08 0.28 -0.05 0.45 0.37 0.00 0.00 175.52 176.48 1njd h HIS 238 N 0.61 -0.14 -0.12 3.16 3.86 -0.45 -1.75 115.15 120.31 1njd h HIS 238 Ca 0.15 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.40 1njd h HIS 238 Cb 0.30 0.05 -0.06 0.00 1.06 0.00 0.00 27.41 28.75 1njd h HIS 238 CO 0.02 0.04 -0.27 -0.07 0.86 0.00 0.00 177.93 178.51 1njd h LEU 239 N -0.30 -0.82 -1.18 2.43 3.38 -0.26 0.32 115.31 118.88 1njd h LEU 239 Ca -0.02 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1njd h LEU 239 Cb 0.24 0.36 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1njd h LEU 239 CO 0.03 -0.32 0.23 0.58 0.09 0.00 0.00 178.44 179.05 1njd h VAL 240 N -0.34 1.20 -0.54 1.22 2.07 -1.22 -1.78 116.25 116.86 1njd h VAL 240 Ca 0.10 -0.61 -0.12 0.00 0.82 0.00 0.00 66.70 66.89 1njd h VAL 240 Cb 0.49 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1njd h VAL 240 CO -0.32 0.24 -0.12 0.00 0.02 0.00 0.00 177.57 177.40 1njd h ALA 241 N 1.46 0.77 -0.30 1.67 0.00 -0.38 -1.13 119.26 121.35 1njd h ALA 241 Ca 0.19 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1njd h ALA 241 Cb 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1njd h ALA 241 CO -0.02 0.67 0.19 1.25 0.00 0.00 0.00 179.25 181.34 1njd h HIS 242 N 0.91 0.36 0.50 0.00 6.17 0.36 0.78 115.15 124.22 1njd h HIS 242 Ca 0.14 0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.20 1njd h HIS 242 Cb 0.68 -0.12 0.00 0.00 2.52 0.00 0.00 27.41 30.50 1njd h HIS 242 CO 0.05 0.22 -0.24 1.49 0.71 0.00 0.00 177.93 180.15 1njd h GLU 243 N 0.39 -0.65 0.00 5.26 4.81 -1.20 -2.99 114.58 120.20 1njd h GLU 243 Ca 0.12 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1njd h GLU 243 Cb -0.02 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1njd h GLU 243 CO -0.04 -0.37 0.00 0.00 -0.73 0.00 0.00 179.01 177.87 1njd n GLY 245 N -0.03 -0.51 3.58 0.00 0.00 0.08 -5.00 105.19 103.32 1njd n GLY 245 Ca 0.11 0.22 -0.24 0.00 0.00 0.00 0.00 46.02 46.12 1njd n GLY 245 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1njd s LEU 246 N -7.12 2.92 0.76 0.99 1.43 -0.14 -5.04 118.68 112.48 1njd s LEU 246 Ca 0.47 -0.91 -0.11 0.00 -1.03 0.00 0.00 54.13 52.54 1njd s LEU 246 Cb -0.21 -1.37 0.05 0.00 0.03 0.00 0.00 46.19 44.69 1njd s LEU 246 CO 0.73 -0.08 1.13 -1.61 0.23 0.00 0.00 176.35 176.75 1njd s GLU 247 N -3.64 2.37 -0.02 1.70 2.02 0.73 -4.47 118.70 117.38 1njd s GLU 247 Ca 0.32 0.24 -0.12 0.00 0.02 0.00 0.00 54.97 55.43 1njd s GLU 247 Cb -0.03 -2.00 -0.05 0.00 0.10 0.00 0.00 34.13 32.15 1njd s GLU 247 CO 0.18 -1.33 0.33 0.54 0.02 0.00 0.00 175.26 175.01 1njd s VAL 248 N -3.46 5.17 0.00 2.63 0.11 -1.26 -0.48 120.40 123.11 1njd s VAL 248 Ca 0.60 0.61 0.00 0.00 -2.93 0.00 0.00 61.98 60.26 1njd s VAL 248 Cb -0.11 -3.62 0.00 0.00 -1.53 0.00 0.00 36.38 31.12 1njd s VAL 248 CO 0.50 0.55 0.00 0.61 -3.33 0.00 0.00 175.10 173.43 1njd n GLY 249 N 1.74 0.79 3.52 6.54 0.00 0.19 -4.56 105.19 113.42 1njd n GLY 249 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 1njd n GLY 249 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1njd s GLU 250 N 2.63 1.86 -0.23 1.61 2.02 -1.26 -1.12 118.70 124.22 1njd s GLU 250 Ca 0.00 -1.55 -0.02 0.00 0.02 0.00 0.00 54.97 53.42 1njd s GLU 250 Cb 0.00 -1.94 0.02 0.00 0.10 0.00 0.00 34.13 32.30 1njd s GLU 250 CO 0.00 0.37 -0.09 0.12 0.02 0.00 0.00 175.26 175.68 1njd s PHE 251 N -2.16 2.98 -0.25 1.61 5.36 -0.07 -1.59 117.98 123.86 1njd s PHE 251 Ca 0.28 -1.41 -0.07 0.00 -0.96 0.00 0.00 56.93 54.76 1njd s PHE 251 Cb -0.07 -2.04 -0.03 0.00 -0.34 0.00 0.00 43.02 40.54 1njd s PHE 251 CO 0.15 -0.70 0.07 0.42 -1.46 0.00 0.00 175.22 173.71 1njd s ILE 252 N 1.36 4.38 -0.38 3.12 1.09 0.46 -0.34 121.20 130.89 1njd s ILE 252 Ca 0.03 -0.15 -0.08 0.00 -1.10 0.00 0.00 60.65 59.35 1njd s ILE 252 Cb -0.15 -3.05 0.05 0.00 -1.06 0.00 0.00 42.46 38.26 1njd s ILE 252 CO -0.06 0.34 0.18 -2.28 -0.10 0.00 0.00 174.94 173.03 1njd s HIS 253 N 1.53 3.30 -0.17 3.97 2.46 0.85 -0.71 115.29 126.52 1njd s HIS 253 Ca 0.06 -1.42 -0.06 0.00 0.47 0.00 0.00 55.06 54.11 1njd s HIS 253 Cb -0.15 -2.59 -0.04 0.00 -0.13 0.00 0.00 32.58 29.67 1njd s HIS 253 CO 0.04 -0.77 0.04 0.99 -2.47 0.00 0.00 174.74 172.57 1njd s THR 254 N 1.43 4.58 0.17 0.89 2.01 0.26 -1.68 115.64 123.29 1njd s THR 254 Ca 0.01 -0.11 0.07 0.00 0.31 0.00 0.00 61.69 61.96 1njd s THR 254 Cb -0.21 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 1njd s THR 254 CO 0.03 0.48 0.04 -0.36 -0.69 0.00 0.00 174.62 174.12 1njd s PHE 255 N 0.27 2.94 0.00 4.92 0.08 0.10 -0.65 117.98 125.63 1njd s PHE 255 Ca 0.02 -0.10 0.00 0.00 0.12 0.00 0.00 56.93 56.97 1njd s PHE 255 Cb -0.13 -1.42 0.00 0.00 -0.57 0.00 0.00 43.02 40.90 1njd s PHE 255 CO 0.01 0.52 0.00 0.41 -0.10 0.00 0.00 175.22 176.06 1njd n GLY 256 N -0.15 -0.09 3.45 4.36 0.00 0.11 -2.94 105.19 109.93 1njd n GLY 256 Ca -0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.49 1njd n GLY 256 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1njd s ASP 257 N -0.95 6.94 -0.14 1.61 -1.08 -0.31 -1.26 116.67 121.48 1njd s ASP 257 Ca 0.00 -2.71 -0.29 0.00 -0.52 0.00 0.00 52.55 49.03 1njd s ASP 257 Cb 0.00 -2.39 -0.01 0.00 -1.46 0.00 0.00 42.92 39.05 1njd s ASP 257 CO 0.00 -0.83 1.18 0.00 0.52 0.00 0.00 175.17 176.04 1njd s ALA 258 N 1.82 3.59 0.01 3.66 0.00 -0.35 -2.48 121.76 128.02 1njd s ALA 258 Ca 0.39 0.44 0.01 0.00 0.00 0.00 0.00 51.96 52.79 1njd s ALA 258 Cb -0.04 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 1njd s ALA 258 CO -0.03 -0.98 -0.03 -3.38 0.00 0.00 0.00 175.76 171.34 1njd s HIS 259 N 2.93 0.29 -0.27 0.00 -3.43 0.80 -1.56 115.29 114.06 1njd s HIS 259 Ca 0.52 -0.29 -0.04 0.00 -0.80 0.00 0.00 55.06 54.46 1njd s HIS 259 Cb -0.21 -0.19 0.02 0.00 -1.43 0.00 0.00 32.58 30.77 1njd s HIS 259 CO 0.15 -0.08 0.00 -1.17 -2.00 0.00 0.00 174.74 171.64 1njd s LEU 260 N -0.81 3.44 0.38 5.38 2.96 -0.54 -1.27 118.68 128.23 1njd s LEU 260 Ca -0.07 -0.76 -0.27 0.00 -0.22 0.00 0.00 54.13 52.81 1njd s LEU 260 Cb -0.06 -1.76 -0.09 0.00 0.50 0.00 0.00 46.19 44.78 1njd s LEU 260 CO -0.00 -0.14 1.31 -0.31 -1.32 0.00 0.00 176.35 175.88 1njd s TYR 261 N 1.41 2.90 0.14 5.38 2.02 -1.26 -0.87 117.35 127.08 1njd s TYR 261 Ca 0.02 1.41 0.31 0.00 -0.37 0.00 0.00 57.07 58.43 1njd s TYR 261 Cb -0.17 -3.68 1.68 0.00 -0.40 0.00 0.00 41.96 39.39 1njd s TYR 261 CO -0.01 -2.02 1.95 -0.39 -1.57 0.00 0.00 175.55 173.50 1njd h VAL 262 N 2.69 0.00 -0.15 0.71 -1.51 -1.48 -2.05 116.25 114.46 1njd h VAL 262 Ca -0.49 -0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 1njd h VAL 262 Cb 1.24 0.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.09 1njd h VAL 262 CO 0.64 0.00 0.00 -0.46 -1.23 0.00 0.00 177.57 176.52 1njd n ASN 263 N -2.59 1.37 -0.19 4.19 6.94 -1.26 -3.58 115.26 120.15 1njd n ASN 263 Ca -0.02 -1.68 0.02 0.00 -0.02 0.00 0.00 54.58 52.88 1njd n ASN 263 Cb 0.05 -0.09 0.04 0.00 -2.36 0.00 0.00 39.78 37.42 1njd n ASN 263 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1njd n HIS 264 N 0.13 0.11 0.09 -2.53 8.25 -0.77 -4.68 115.22 115.82 1njd n HIS 264 Ca 0.15 -0.35 -0.12 0.00 -0.26 0.00 0.00 57.72 57.14 1njd n HIS 264 Cb 0.28 -0.03 -0.06 0.00 1.12 0.00 0.00 29.99 31.30 1njd n HIS 264 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1njd h LEU 265 N 0.67 -0.33 -0.49 2.41 3.38 -1.68 -0.54 115.31 118.72 1njd h LEU 265 Ca 0.00 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1njd h LEU 265 Cb 0.45 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1njd h LEU 265 CO 0.00 -0.18 0.29 0.44 0.09 0.00 0.00 178.44 179.08 1njd h ASP 266 N -0.25 0.47 -0.24 -0.43 3.32 -1.87 -1.08 116.42 116.34 1njd h ASP 266 Ca 0.02 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1njd h ASP 266 Cb 0.26 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1njd h ASP 266 CO -0.06 0.34 0.10 1.56 -1.72 0.00 0.00 179.24 179.45 1njd h GLN 267 N 0.58 0.36 -0.11 3.56 7.50 -1.85 -0.64 115.11 124.52 1njd h GLN 267 Ca 0.20 -0.07 -0.07 0.00 0.50 0.00 0.00 58.65 59.21 1njd h GLN 267 Cb 0.01 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 27.47 1njd h GLN 267 CO -0.09 0.41 -0.24 0.97 -1.50 0.00 0.00 178.83 178.38 1njd h ILE 268 N 0.24 1.22 -0.15 2.54 6.09 -0.96 -0.53 117.51 125.97 1njd h ILE 268 Ca 0.08 -1.03 -0.01 0.00 -1.37 0.00 0.00 64.86 62.53 1njd h ILE 268 Cb 0.18 1.40 -0.01 0.00 0.47 0.00 0.00 36.82 38.87 1njd h ILE 268 CO -0.01 0.31 0.04 0.11 -3.07 0.00 0.00 178.15 175.53 1njd h LYS 269 N 0.17 0.24 -0.13 2.19 1.57 -0.64 -1.43 116.57 118.54 1njd h LYS 269 Ca 0.03 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1njd h LYS 269 Cb 0.52 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1njd h LYS 269 CO 0.04 0.38 0.08 1.49 -0.57 0.00 0.00 179.45 180.87 1njd h GLU 270 N 0.05 0.17 -0.84 3.15 4.22 -0.63 -1.51 114.58 119.20 1njd h GLU 270 Ca 0.05 -0.02 0.11 0.00 0.08 0.00 0.00 59.36 59.59 1njd h GLU 270 Cb 0.25 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 1njd h GLU 270 CO -0.00 0.16 0.54 0.37 -2.18 0.00 0.00 179.01 177.91 1njd h GLN 271 N 0.14 0.70 0.00 1.92 4.15 -1.01 -0.80 115.11 120.20 1njd h GLN 271 Ca 0.05 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 1njd h GLN 271 Cb 0.03 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 27.56 1njd h GLN 271 CO -0.01 0.46 -0.10 -0.07 -1.93 0.00 0.00 178.83 177.18 1njd h LEU 272 N 0.72 0.00 -0.08 -2.39 4.07 -0.19 -1.42 115.31 116.03 1njd h LEU 272 Ca 0.40 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.36 1njd h LEU 272 Cb 0.55 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.29 1njd h LEU 272 CO -0.16 0.10 0.00 -1.54 -1.08 0.00 0.00 178.44 175.76 1njd n SER 273 N -3.84 0.40 -4.80 -0.43 3.41 -0.31 -4.81 113.62 103.23 1njd n SER 273 Ca -0.02 0.55 -0.35 0.00 -0.26 0.00 0.00 58.87 58.78 1njd n SER 273 Cb 0.20 -0.65 -0.07 0.00 -0.26 0.00 0.00 64.21 63.43 1njd n SER 273 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1njd s ARG 274 N -3.07 4.38 -0.22 4.33 0.52 -0.54 -5.06 118.95 119.28 1njd s ARG 274 Ca 0.11 1.14 -0.12 0.00 -0.52 0.00 0.00 55.73 56.34 1njd s ARG 274 Cb 0.14 -2.59 -0.05 0.00 0.52 0.00 0.00 34.95 32.98 1njd s ARG 274 CO 0.52 0.19 0.21 0.99 0.02 0.00 0.00 175.30 177.23 1njd s THR 275 N -1.81 5.33 1.02 0.02 2.01 -1.26 -5.05 115.64 115.90 1njd s THR 275 Ca 0.53 0.30 -0.13 0.00 0.31 0.00 0.00 61.69 62.70 1njd s THR 275 Cb -0.15 -3.55 0.14 0.00 0.01 0.00 0.00 72.50 68.95 1njd s THR 275 CO 0.19 0.34 0.69 -0.81 -0.69 0.00 0.00 174.62 174.35 1njd n PRO 276 N 4.20 -1.04 -4.45 4.92 -0.04 -1.26 -4.88 135.00 132.45 1njd n PRO 276 Ca -0.14 -0.26 -0.22 0.00 -0.04 0.00 0.00 63.50 62.85 1njd n PRO 276 Cb 0.52 -2.05 -0.10 0.00 -0.04 0.00 0.00 33.50 31.82 1njd n PRO 276 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1njd s ARG 277 N -4.07 1.59 0.32 0.54 0.52 -1.26 -5.05 118.95 111.55 1njd s ARG 277 Ca 0.62 -1.82 -0.26 0.00 -0.52 0.00 0.00 55.73 53.75 1njd s ARG 277 Cb -0.21 -1.18 -0.14 0.00 0.52 0.00 0.00 34.95 33.95 1njd s ARG 277 CO 0.64 0.02 0.83 -2.30 0.02 0.00 0.00 175.30 174.51 1njd n PRO 278 N -0.62 0.98 -2.49 3.54 -0.02 -1.26 -4.87 135.00 130.25 1njd n PRO 278 Ca -0.05 0.35 -0.35 0.00 -2.02 0.00 0.00 63.50 61.42 1njd n PRO 278 Cb 0.64 -1.67 -0.03 0.00 -0.02 0.00 0.00 33.50 32.42 1njd n PRO 278 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1njd s ALA 279 N -1.17 2.95 1.16 3.55 0.00 -1.26 -4.83 121.76 122.17 1njd s ALA 279 Ca 0.61 0.70 -0.14 0.00 0.00 0.00 0.00 51.96 53.12 1njd s ALA 279 Cb -0.69 -3.28 0.21 0.00 0.00 0.00 0.00 23.12 19.35 1njd s ALA 279 CO 0.59 -0.34 0.76 -0.35 0.00 0.00 0.00 175.76 176.41 1njd n PRO 280 N -0.58 -2.40 -4.24 0.00 -0.04 -1.26 -4.77 135.00 121.70 1njd n PRO 280 Ca 0.08 -1.22 -0.17 0.00 -0.04 0.00 0.00 63.50 62.15 1njd n PRO 280 Cb 0.51 -1.12 -0.14 0.00 -0.04 0.00 0.00 33.50 32.71 1njd n PRO 280 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1njd s THR 281 N -2.40 0.66 0.06 0.52 2.01 0.19 -2.29 115.64 114.39 1njd s THR 281 Ca 0.49 -0.60 -0.06 0.00 0.31 0.00 0.00 61.69 61.83 1njd s THR 281 Cb -0.05 -0.60 -0.05 0.00 0.01 0.00 0.00 72.50 71.81 1njd s THR 281 CO 0.37 0.02 0.31 -0.22 -0.69 0.00 0.00 174.62 174.42 1njd s LEU 282 N -0.64 4.34 -0.10 4.42 2.96 -1.26 0.21 118.68 128.61 1njd s LEU 282 Ca -0.00 0.58 -0.02 0.00 -0.22 0.00 0.00 54.13 54.47 1njd s LEU 282 Cb -0.05 -2.90 0.04 0.00 0.50 0.00 0.00 46.19 43.78 1njd s LEU 282 CO 0.00 0.18 0.03 -1.58 -1.32 0.00 0.00 176.35 173.67 1njd s GLN 283 N -2.05 0.37 -0.13 1.98 2.00 0.19 -4.92 119.66 117.10 1njd s GLN 283 Ca 0.32 0.05 -0.02 0.00 -2.00 0.00 0.00 55.36 53.71 1njd s GLN 283 Cb -0.13 -1.20 -0.02 0.00 0.80 0.00 0.00 33.01 32.46 1njd s GLN 283 CO 0.19 -0.43 -0.07 -0.51 -0.50 0.00 0.00 175.29 173.98 1njd s LEU 284 N 2.02 3.08 -0.52 3.68 1.43 -1.26 -0.12 118.68 126.99 1njd s LEU 284 Ca 0.03 -0.16 -0.41 0.00 -1.03 0.00 0.00 54.13 52.57 1njd s LEU 284 Cb -0.14 -1.71 -0.18 0.00 0.03 0.00 0.00 46.19 44.19 1njd s LEU 284 CO -0.06 0.21 2.08 -3.20 0.23 0.00 0.00 176.35 175.61 1njd n ASN 285 N 3.22 0.67 0.26 2.29 2.85 -0.42 -4.82 115.26 119.31 1njd n ASN 285 Ca -0.18 0.60 0.11 0.00 -0.11 0.00 0.00 54.58 55.00 1njd n ASN 285 Cb 0.53 -0.86 0.70 0.00 1.24 0.00 0.00 39.78 41.39 1njd n ASN 285 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1njd h PRO 286 N 8.79 0.00 0.08 1.20 0.13 -1.96 -3.25 132.00 137.00 1njd h PRO 286 Ca -0.09 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1njd h PRO 286 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1njd h PRO 286 CO 1.06 0.11 -0.04 -0.44 -0.23 0.00 0.00 178.00 178.46 1njd h ASP 287 N 0.00 -0.10 -2.64 1.44 3.32 -2.02 -3.44 116.42 112.98 1njd h ASP 287 Ca -0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 1njd h ASP 287 Cb 0.24 0.02 0.03 0.00 0.22 0.00 0.00 39.33 39.85 1njd h ASP 287 CO 0.01 0.30 1.03 -0.75 -1.72 0.00 0.00 179.24 178.12 1njd s LYS 288 N -1.86 4.17 0.00 3.56 2.20 -1.23 -4.91 119.74 121.67 1njd s LYS 288 Ca -0.02 2.45 0.00 0.00 -0.36 0.00 0.00 55.97 58.05 1njd s LYS 288 Cb 0.00 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.80 1njd s LYS 288 CO 0.05 -0.76 0.00 0.72 -0.36 0.00 0.00 175.35 175.00 1njd n HIS 289 N 5.36 0.00 -2.86 4.03 8.25 -1.26 -4.80 115.22 123.93 1njd n HIS 289 Ca 0.16 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.19 1njd n HIS 289 Cb 0.39 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.47 1njd n HIS 289 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1njd s ASP 290 N -1.82 6.32 0.62 0.41 -4.77 -1.26 -4.11 116.67 112.06 1njd s ASP 290 Ca 0.00 -1.32 0.25 0.00 -3.30 0.00 0.00 52.55 48.18 1njd s ASP 290 Cb 0.00 -2.42 1.25 0.00 -1.09 0.00 0.00 42.92 40.66 1njd s ASP 290 CO 0.00 -1.34 1.70 0.16 0.70 0.00 0.00 175.17 176.39 1njd h ILE 291 N 5.98 0.15 0.00 2.11 3.07 -1.91 -0.80 117.51 126.11 1njd h ILE 291 Ca -0.13 0.00 -0.04 0.00 1.55 0.00 0.00 64.86 66.24 1njd h ILE 291 Cb 1.05 0.45 -0.01 0.00 -0.27 0.00 0.00 36.82 38.05 1njd h ILE 291 CO 1.18 0.00 -0.20 -0.26 -1.05 0.00 0.00 178.15 177.82 1njd h PHE 292 N 0.00 0.00 -0.30 0.16 0.04 -1.91 -2.75 116.94 112.19 1njd h PHE 292 Ca 0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.94 1njd h PHE 292 Cb 1.42 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.57 1njd h PHE 292 CO 0.00 0.20 0.00 -0.25 -0.60 0.00 0.00 178.31 177.66 1njd n ASP 293 N -3.35 3.04 -4.67 2.17 8.00 -0.31 -4.63 116.55 116.81 1njd n ASP 293 Ca 0.00 -1.94 -0.30 0.00 0.71 0.00 0.00 54.79 53.26 1njd n ASP 293 Cb 0.42 -0.19 0.16 0.00 -0.02 0.00 0.00 41.12 41.50 1njd n ASP 293 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1njd s PHE 294 N -1.62 1.81 0.09 1.24 0.40 -1.04 -5.06 117.98 113.79 1njd s PHE 294 Ca 0.36 1.61 -0.08 0.00 -0.60 0.00 0.00 56.93 58.23 1njd s PHE 294 Cb 0.21 -3.24 -0.01 0.00 0.51 0.00 0.00 43.02 40.50 1njd s PHE 294 CO 0.31 -2.75 0.17 0.34 0.70 0.00 0.00 175.22 173.99 1njd s ASP 295 N -2.85 0.15 0.24 1.36 2.15 -1.26 -5.05 116.67 111.42 1njd s ASP 295 Ca 0.66 -0.70 0.00 0.00 0.43 0.00 0.00 52.55 52.93 1njd s ASP 295 Cb -0.22 0.33 0.57 0.00 -0.30 0.00 0.00 42.92 43.30 1njd s ASP 295 CO 0.58 -0.73 1.24 0.23 -0.17 0.00 0.00 175.17 176.33 1njd n MET 296 N -0.06 -0.06 0.16 4.34 2.81 -1.26 0.48 117.12 123.52 1njd n MET 296 Ca -0.14 1.20 0.10 0.00 -1.81 0.00 0.00 57.70 57.05 1njd n MET 296 Cb 0.62 -1.88 0.56 0.00 -0.71 0.00 0.00 33.22 31.81 1njd n MET 296 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1njd n LYS 297 N -5.15 0.13 0.12 0.03 2.85 -1.26 -2.64 118.16 112.25 1njd n LYS 297 Ca 0.18 0.63 0.09 0.00 -1.05 0.00 0.00 58.31 58.16 1njd n LYS 297 Cb 0.57 -1.94 0.03 0.00 -0.65 0.00 0.00 35.03 33.05 1njd n LYS 297 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1njd h ASP 298 N 0.00 0.00 -3.55 -5.58 3.32 -0.37 -3.45 116.42 106.79 1njd h ASP 298 Ca 0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 1njd h ASP 298 Cb 0.00 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 39.27 1njd h ASP 298 CO 0.00 0.11 -0.68 -0.63 -1.72 0.00 0.00 179.24 176.32 1njd s ILE 299 N -3.24 3.46 -0.09 0.35 1.01 -1.08 -1.30 121.20 120.31 1njd s ILE 299 Ca 0.01 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 59.87 1njd s ILE 299 Cb 0.08 -2.75 -0.02 0.00 0.01 0.00 0.00 42.46 39.78 1njd s ILE 299 CO 0.76 0.17 -0.10 -0.54 0.00 0.00 0.00 174.94 175.23 1njd s LYS 300 N 1.43 3.00 -0.46 2.79 -0.14 0.82 -4.96 119.74 122.21 1njd s LYS 300 Ca 0.02 -0.61 -0.03 0.00 -1.36 0.00 0.00 55.97 53.99 1njd s LYS 300 Cb -0.17 -2.60 0.12 0.00 -1.68 0.00 0.00 37.83 33.51 1njd s LYS 300 CO -0.01 0.48 0.26 -1.17 -0.76 0.00 0.00 175.35 174.15 1njd s LEU 301 N -0.31 5.24 0.46 3.17 2.96 -1.26 0.53 118.68 129.47 1njd s LEU 301 Ca 0.04 -2.25 -0.14 0.00 -0.22 0.00 0.00 54.13 51.56 1njd s LEU 301 Cb -0.13 -1.83 -0.07 0.00 0.50 0.00 0.00 46.19 44.66 1njd s LEU 301 CO 0.02 -0.50 0.89 -0.76 -1.32 0.00 0.00 176.35 174.69 1njd s LEU 302 N 0.83 3.73 -1.18 -0.68 1.02 0.13 -4.39 118.68 118.14 1njd s LEU 302 Ca 0.10 1.40 -0.07 0.00 0.02 0.00 0.00 54.13 55.59 1njd s LEU 302 Cb -0.22 -4.31 0.05 0.00 0.02 0.00 0.00 46.19 41.73 1njd s LEU 302 CO -0.04 -0.49 0.35 0.59 0.02 0.00 0.00 176.35 176.78 1njd n ASN 303 N -1.40 -3.70 -4.52 2.29 4.13 -1.26 -0.64 115.26 110.16 1njd n ASN 303 Ca 0.05 -0.21 -0.43 0.00 1.68 0.00 0.00 54.58 55.67 1njd n ASN 303 Cb 0.54 -3.09 -0.04 0.00 -1.54 0.00 0.00 39.78 35.65 1njd n ASN 303 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1njd s TYR 304 N -2.82 2.79 -0.71 3.10 5.04 -1.26 -4.33 117.35 119.16 1njd s TYR 304 Ca 0.28 0.00 0.04 0.00 -2.44 0.00 0.00 57.07 54.96 1njd s TYR 304 Cb -0.15 -4.08 0.17 0.00 0.35 0.00 0.00 41.96 38.25 1njd s TYR 304 CO 0.35 -1.35 0.50 0.34 -1.34 0.00 0.00 175.55 174.05 1njd s ASP 305 N 2.84 4.90 0.96 4.32 2.15 -1.26 -5.08 116.67 125.50 1njd s ASP 305 Ca 0.31 -3.76 -0.15 0.00 0.43 0.00 0.00 52.55 49.38 1njd s ASP 305 Cb -0.12 -1.67 0.17 0.00 -0.30 0.00 0.00 42.92 41.00 1njd s ASP 305 CO 0.19 -0.11 1.20 -2.16 -0.17 0.00 0.00 175.17 174.13 1njd s PRO 306 N -1.33 0.72 0.83 4.34 0.04 -1.26 -4.95 135.00 133.38 1njd s PRO 306 Ca 0.24 -0.04 -0.07 0.00 0.04 0.00 0.00 61.00 61.17 1njd s PRO 306 Cb -0.07 -1.82 0.16 0.00 0.04 0.00 0.00 34.50 32.81 1njd s PRO 306 CO -0.15 -2.42 1.14 0.71 0.04 0.00 0.00 177.00 176.32 1njd s TYR 307 N -3.50 1.49 0.82 0.56 1.51 -0.00 -4.90 117.35 113.33 1njd s TYR 307 Ca 0.68 -0.07 -0.10 0.00 -1.01 0.00 0.00 57.07 56.56 1njd s TYR 307 Cb -0.09 -3.45 0.08 0.00 -0.11 0.00 0.00 41.96 38.39 1njd s TYR 307 CO 0.53 -2.14 1.10 -2.14 -1.11 0.00 0.00 175.55 171.80 1njd s PRO 308 N -5.46 1.87 0.78 -1.71 0.02 -1.26 -2.64 135.00 126.59 1njd s PRO 308 Ca 0.70 1.24 -0.11 0.00 0.02 0.00 0.00 61.00 62.85 1njd s PRO 308 Cb -0.04 -1.85 0.06 0.00 0.02 0.00 0.00 34.50 32.69 1njd s PRO 308 CO 0.48 -1.94 1.09 0.00 -0.33 0.00 0.00 177.00 176.30 1njd s ALA 309 N -2.84 2.31 -0.14 -1.55 0.00 -1.26 -3.44 121.76 114.84 1njd s ALA 309 Ca 0.63 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1njd s ALA 309 Cb -0.19 -3.15 0.02 0.00 0.00 0.00 0.00 23.12 19.81 1njd s ALA 309 CO 0.57 -1.65 -0.12 0.42 0.00 0.00 0.00 175.76 174.98 1njd s ILE 310 N -3.08 1.36 -0.03 0.00 1.01 -1.26 -4.91 121.20 114.29 1njd s ILE 310 Ca 0.60 -0.51 -0.24 0.00 0.00 0.00 0.00 60.65 60.50 1njd s ILE 310 Cb -0.15 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 1njd s ILE 310 CO 0.55 0.42 0.73 -0.75 0.00 0.00 0.00 174.94 175.89 1njd s LYS 311 N 1.57 4.45 -0.11 2.79 2.20 -1.26 -5.05 119.74 124.34 1njd s LYS 311 Ca 0.05 0.96 -0.09 0.00 -0.36 0.00 0.00 55.97 56.53 1njd s LYS 311 Cb -0.13 -3.42 0.03 0.00 -1.51 0.00 0.00 37.83 32.80 1njd s LYS 311 CO -0.10 0.13 0.27 0.00 -0.36 0.00 0.00 175.35 175.30 1njd s ALA 312 N 0.54 -0.67 0.05 3.13 0.00 -1.26 -4.98 121.76 118.57 1njd s ALA 312 Ca 0.38 0.85 -0.31 0.00 0.00 0.00 0.00 51.96 52.89 1njd s ALA 312 Cb -0.19 -0.50 -0.07 0.00 0.00 0.00 0.00 23.12 22.36 1njd s ALA 312 CO 0.20 -0.15 1.55 -1.25 0.00 0.00 0.00 175.76 176.11 1njd s PRO 313 N 0.42 4.23 0.48 0.00 0.04 -1.26 -4.98 135.00 133.92 1njd s PRO 313 Ca -0.02 2.19 -0.23 0.00 0.04 0.00 0.00 61.00 62.98 1njd s PRO 313 Cb -0.04 -3.56 -0.07 0.00 0.04 0.00 0.00 34.50 30.87 1njd s PRO 313 CO -0.02 -0.66 1.27 0.14 0.04 0.00 0.00 177.00 177.77 1njd s VAL 314 N 2.46 2.61 -0.19 -0.36 -7.23 -1.26 -4.91 120.40 111.51 1njd s VAL 314 Ca 0.70 0.48 -0.18 0.00 -1.81 0.00 0.00 61.98 61.17 1njd s VAL 314 Cb -0.37 -3.26 -0.03 0.00 0.56 0.00 0.00 36.38 33.28 1njd s VAL 314 CO 0.30 0.02 0.50 0.00 -0.31 0.00 0.00 175.10 175.60 1njd s ALA 315 N -1.39 3.54 0.00 1.32 0.00 -1.26 -5.11 121.76 118.86 1njd s ALA 315 Ca 0.65 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.20 1njd s ALA 315 Cb -0.35 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 19.99 1njd s ALA 315 CO 0.43 -0.39 0.00 1.55 0.00 0.00 0.00 175.76 177.35