#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nxj s ILE 3 N 0.00 5.11 -0.18 0.00 -1.09 -1.26 -5.05 121.20 118.72 1nxj s ILE 3 Ca 0.00 1.03 -0.17 0.00 -2.23 0.00 0.00 60.65 59.29 1nxj s ILE 3 Cb 0.00 -3.87 -0.04 0.00 -1.58 0.00 0.00 42.46 36.97 1nxj s ILE 3 CO 0.00 0.21 0.43 -0.55 -1.23 0.00 0.00 174.94 173.79 1nxj s SER 4 N 1.00 6.51 0.63 3.58 0.15 -1.26 -4.85 113.70 119.46 1nxj s SER 4 Ca 0.26 0.61 -0.18 0.00 0.70 0.00 0.00 55.95 57.34 1nxj s SER 4 Cb -0.16 -2.25 -0.02 0.00 -1.71 0.00 0.00 66.02 61.88 1nxj s SER 4 CO 0.10 -0.06 1.23 0.33 1.20 0.00 0.00 173.24 176.05 1nxj n PHE 5 N 4.28 1.75 -3.80 3.44 7.35 -1.26 -5.01 117.46 124.20 1nxj n PHE 5 Ca -0.08 0.42 -0.13 0.00 -0.76 0.00 0.00 57.45 56.91 1nxj n PHE 5 Cb 0.51 -2.25 -0.12 0.00 0.35 0.00 0.00 39.48 37.97 1nxj n PHE 5 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1nxj s ARG 6 N -3.19 0.26 0.36 -4.13 0.52 -1.26 -5.09 118.95 106.41 1nxj s ARG 6 Ca 0.80 0.27 -0.28 0.00 -0.52 0.00 0.00 55.73 56.00 1nxj s ARG 6 Cb -0.39 0.12 -0.12 0.00 0.52 0.00 0.00 34.95 35.08 1nxj s ARG 6 CO 0.43 -0.03 1.34 -2.30 0.02 0.00 0.00 175.30 174.75 1nxj n PRO 7 N 2.91 2.26 0.02 3.54 -0.02 -1.26 -4.84 135.00 137.61 1nxj n PRO 7 Ca -0.13 0.79 0.06 0.00 -2.02 0.00 0.00 63.50 62.21 1nxj n PRO 7 Cb 0.58 -2.42 0.47 0.00 -0.02 0.00 0.00 33.50 32.11 1nxj n PRO 7 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1nxj h THR 8 N 2.62 1.05 -0.64 3.45 1.35 -1.92 -1.74 112.91 117.07 1nxj h THR 8 Ca -0.47 -0.15 -0.06 0.00 -0.55 0.00 0.00 66.41 65.18 1nxj h THR 8 Cb 1.27 0.57 -0.03 0.00 -1.73 0.00 0.00 68.15 68.23 1nxj h THR 8 CO 0.63 0.08 0.17 0.00 -0.25 0.00 0.00 175.52 176.15 1nxj h ALA 9 N 1.77 1.09 -0.35 6.62 0.00 -1.99 -0.79 119.26 125.61 1nxj h ALA 9 Ca 0.15 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 1nxj h ALA 9 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1nxj h ALA 9 CO -0.04 0.61 -0.38 -0.44 0.00 0.00 0.00 179.25 179.00 1nxj h ASP 10 N 0.96 0.89 -0.60 0.00 3.32 -1.70 -1.60 116.42 117.68 1nxj h ASP 10 Ca 0.21 -0.40 -0.03 0.00 0.02 0.00 0.00 57.03 56.83 1nxj h ASP 10 Cb 0.31 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 1nxj h ASP 10 CO -0.00 1.17 0.27 -0.07 -1.72 0.00 0.00 179.24 178.89 1nxj h LEU 11 N 0.69 0.80 -0.47 1.55 3.38 -1.07 -1.16 115.31 119.04 1nxj h LEU 11 Ca 0.06 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1nxj h LEU 11 Cb 0.95 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 1nxj h LEU 11 CO 0.09 0.73 0.30 0.58 0.09 0.00 0.00 178.44 180.23 1nxj h VAL 12 N 0.82 1.10 -0.90 1.22 2.07 -0.97 0.22 116.25 119.82 1nxj h VAL 12 Ca 0.20 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1nxj h VAL 12 Cb 0.15 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 1nxj h VAL 12 CO -0.02 0.11 0.59 0.44 0.02 0.00 0.00 177.57 178.71 1nxj h ASP 13 N 0.62 0.94 -0.16 0.57 3.32 -0.86 -0.47 116.42 120.38 1nxj h ASP 13 Ca 0.18 -0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.11 1nxj h ASP 13 Cb -0.05 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.29 1nxj h ASP 13 CO -0.05 0.63 -0.35 0.44 -1.72 0.00 0.00 179.24 178.19 1nxj h ASP 14 N 1.08 0.58 0.24 6.45 3.32 -0.30 -3.35 116.42 124.43 1nxj h ASP 14 Ca 0.37 -0.57 -0.26 0.00 0.02 0.00 0.00 57.03 56.59 1nxj h ASP 14 Cb 0.09 -0.17 0.02 0.00 0.22 0.00 0.00 39.33 39.49 1nxj h ASP 14 CO -0.12 1.04 -1.10 0.40 -1.72 0.00 0.00 179.24 177.73 1nxj h ILE 15 N 0.14 1.35 0.00 0.35 2.04 -0.35 -3.51 117.51 117.54 1nxj h ILE 15 Ca 0.00 -2.49 0.00 0.00 1.00 0.00 0.00 64.86 63.37 1nxj h ILE 15 Cb 0.95 2.57 0.00 0.00 -0.74 0.00 0.00 36.82 39.60 1nxj h ILE 15 CO 0.08 0.75 0.00 0.61 0.00 0.00 0.00 178.15 179.59 1nxj n GLY 16 N 1.19 -2.10 0.45 5.37 0.00 -0.21 -4.62 105.19 105.27 1nxj n GLY 16 Ca -0.10 -2.01 0.27 0.00 0.00 0.00 0.00 46.02 44.18 1nxj n GLY 16 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1nxj h PRO 17 N 0.00 0.00 -0.61 1.61 0.11 -1.96 -2.10 132.00 129.04 1nxj h PRO 17 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1nxj h PRO 17 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1nxj h PRO 17 CO 0.00 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.54 1nxj n ASP 18 N -4.19 3.56 -4.68 -2.05 8.00 -1.26 -4.97 116.55 110.96 1nxj n ASP 18 Ca 0.17 -2.33 -0.41 0.00 0.71 0.00 0.00 54.79 52.93 1nxj n ASP 18 Cb 0.91 -0.49 0.01 0.00 -0.02 0.00 0.00 41.12 41.53 1nxj n ASP 18 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1nxj n VAL 19 N 0.73 2.56 -2.96 2.53 3.14 -0.79 -4.89 118.33 118.65 1nxj n VAL 19 Ca 0.18 -0.50 -0.44 0.00 -2.96 0.00 0.00 64.34 60.62 1nxj n VAL 19 Cb 0.68 -1.46 -0.02 0.00 -1.06 0.00 0.00 33.84 31.97 1nxj n VAL 19 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1nxj s ARG 20 N -2.17 3.65 -0.18 1.45 0.52 -1.26 -4.99 118.95 115.97 1nxj s ARG 20 Ca 0.62 -1.91 -0.04 0.00 -0.52 0.00 0.00 55.73 53.88 1nxj s ARG 20 Cb -0.52 -4.89 -0.02 0.00 0.52 0.00 0.00 34.95 30.04 1nxj s ARG 20 CO 0.57 -1.73 -0.04 0.45 0.02 0.00 0.00 175.30 174.57 1nxj s SER 21 N 3.42 4.59 -0.07 0.23 0.15 -1.26 -2.00 113.70 118.76 1nxj s SER 21 Ca 0.33 -0.24 -0.30 0.00 0.70 0.00 0.00 55.95 56.44 1nxj s SER 21 Cb -0.05 -1.76 -0.03 0.00 -1.71 0.00 0.00 66.02 62.47 1nxj s SER 21 CO -0.08 0.09 1.24 0.00 1.20 0.00 0.00 173.24 175.69 1nxj n ASP 23 N 5.47 0.70 -4.71 0.00 8.00 -0.50 -4.47 116.55 121.05 1nxj n ASP 23 Ca 0.12 0.38 -0.42 0.00 0.71 0.00 0.00 54.79 55.58 1nxj n ASP 23 Cb 0.46 -0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 41.12 1nxj n ASP 23 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1nxj s LEU 24 N -4.24 4.36 -0.38 0.64 2.96 -1.26 -4.96 118.68 115.79 1nxj s LEU 24 Ca 0.09 2.41 -0.26 0.00 -0.22 0.00 0.00 54.13 56.16 1nxj s LEU 24 Cb 0.13 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 43.26 1nxj s LEU 24 CO 0.64 -0.76 0.92 -1.10 -1.32 0.00 0.00 176.35 174.73 1nxj s GLN 25 N 1.61 3.79 0.24 1.98 -1.52 -1.26 -4.97 119.66 119.53 1nxj s GLN 25 Ca 0.68 0.51 0.07 0.00 -1.95 0.00 0.00 55.36 54.66 1nxj s GLN 25 Cb -0.39 -3.82 -0.04 0.00 -0.22 0.00 0.00 33.01 28.55 1nxj s GLN 25 CO 0.30 -0.99 0.19 -0.06 -0.25 0.00 0.00 175.29 174.49 1nxj s PHE 26 N 3.51 3.12 0.06 0.91 0.40 -1.26 -4.89 117.98 119.82 1nxj s PHE 26 Ca 0.38 -0.10 0.00 0.00 -0.60 0.00 0.00 56.93 56.61 1nxj s PHE 26 Cb -0.12 -1.42 -0.04 0.00 0.51 0.00 0.00 43.02 41.96 1nxj s PHE 26 CO 0.20 0.52 0.18 1.03 0.70 0.00 0.00 175.22 177.85 1nxj s ARG 27 N -3.76 3.32 -0.05 0.44 0.52 -0.08 -4.92 118.95 114.41 1nxj s ARG 27 Ca 0.33 -0.48 -0.13 0.00 -0.52 0.00 0.00 55.73 54.92 1nxj s ARG 27 Cb -0.08 -2.98 -0.05 0.00 0.52 0.00 0.00 34.95 32.36 1nxj s ARG 27 CO 0.25 0.61 0.35 -0.65 0.02 0.00 0.00 175.30 175.87 1nxj s GLN 28 N -2.41 3.90 0.00 3.54 -1.52 -1.26 -2.10 119.66 119.82 1nxj s GLN 28 Ca 0.33 0.27 0.00 0.00 -1.95 0.00 0.00 55.36 54.01 1nxj s GLN 28 Cb -0.13 -3.26 0.00 0.00 -0.22 0.00 0.00 33.01 29.41 1nxj s GLN 28 CO 0.25 0.62 0.00 1.19 -0.25 0.00 0.00 175.29 177.10 1nxj n PHE 29 N 2.19 0.00 -2.10 0.91 3.72 0.67 -4.99 117.46 117.86 1nxj n PHE 29 Ca -0.14 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 56.98 1nxj n PHE 29 Cb 0.53 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 39.18 1nxj n PHE 29 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1nxj s GLY 30 N -1.24 1.70 0.30 1.37 0.00 -1.20 -1.93 107.32 106.32 1nxj s GLY 30 Ca 0.00 -1.05 0.25 0.00 0.00 0.00 0.00 44.72 43.92 1nxj s GLY 30 CO 0.00 -0.49 1.76 -1.33 0.00 0.00 0.00 173.10 173.03 1nxj h GLY 31 N -1.02 0.00 -5.67 0.20 0.00 -0.27 -3.42 103.07 92.90 1nxj h GLY 31 Ca -0.44 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.23 1nxj h GLY 31 CO 0.52 0.00 -0.81 0.50 0.00 0.00 0.00 176.54 176.75 1nxj s ARG 32 N -3.35 3.23 0.09 4.80 0.52 -1.10 -4.82 118.95 118.31 1nxj s ARG 32 Ca 0.04 -0.76 0.24 0.00 -0.52 0.00 0.00 55.73 54.74 1nxj s ARG 32 Cb 0.09 -2.54 0.40 0.00 0.52 0.00 0.00 34.95 33.41 1nxj s ARG 32 CO 0.43 0.13 1.35 -1.13 0.02 0.00 0.00 175.30 176.10 1nxj n SER 33 N 3.74 0.64 -4.11 0.23 3.41 -1.26 -4.18 113.62 112.09 1nxj n SER 33 Ca -0.19 0.06 -0.23 0.00 -0.26 0.00 0.00 58.87 58.25 1nxj n SER 33 Cb 0.52 0.17 -0.15 0.00 -0.26 0.00 0.00 64.21 64.49 1nxj n SER 33 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1nxj s GLN 34 N -3.13 1.20 0.07 4.33 -0.21 -1.26 -4.05 119.66 116.61 1nxj s GLN 34 Ca 0.07 -0.50 -0.26 0.00 0.02 0.00 0.00 55.36 54.69 1nxj s GLN 34 Cb 0.14 -1.14 0.08 0.00 1.00 0.00 0.00 33.01 33.09 1nxj s GLN 34 CO 0.71 0.29 0.71 -0.59 -2.12 0.00 0.00 175.29 174.29 1nxj s PHE 35 N -0.26 -0.49 -0.15 0.91 -0.12 -0.55 -4.85 117.98 112.47 1nxj s PHE 35 Ca 0.04 0.41 -0.21 0.00 -0.05 0.00 0.00 56.93 57.11 1nxj s PHE 35 Cb -0.06 0.53 0.05 0.00 -0.63 0.00 0.00 43.02 42.91 1nxj s PHE 35 CO -0.00 -0.70 0.55 0.00 -0.05 0.00 0.00 175.22 175.02 1nxj s ALA 36 N -3.12 -1.39 0.00 1.99 0.00 -1.26 -0.35 121.76 117.62 1nxj s ALA 36 Ca 0.01 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.33 1nxj s ALA 36 Cb -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.52 1nxj s ALA 36 CO -0.08 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 175.80 1nxj n GLY 37 N 2.17 0.79 3.76 0.00 0.00 -0.61 -4.84 105.19 106.46 1nxj n GLY 37 Ca -0.16 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 1nxj n GLY 37 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nxj s PRO 38 N -2.00 4.25 0.13 1.61 0.04 -1.26 -1.58 135.00 136.19 1nxj s PRO 38 Ca 0.00 2.36 -0.28 0.00 0.04 0.00 0.00 61.00 63.12 1nxj s PRO 38 Cb 0.00 -3.06 -0.07 0.00 0.04 0.00 0.00 34.50 31.41 1nxj s PRO 38 CO 0.00 -0.39 0.88 0.42 0.04 0.00 0.00 177.00 177.95 1nxj s ILE 39 N -0.59 4.44 0.12 0.56 1.01 0.56 -0.64 121.20 126.66 1nxj s ILE 39 Ca 0.55 1.91 0.06 0.00 0.00 0.00 0.00 60.65 63.17 1nxj s ILE 39 Cb -0.43 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 37.76 1nxj s ILE 39 CO 0.51 0.40 -0.13 -0.44 0.00 0.00 0.00 174.94 175.28 1nxj s SER 40 N -0.45 1.92 0.05 3.58 0.01 -0.31 -0.97 113.70 117.52 1nxj s SER 40 Ca 0.42 -0.82 0.01 0.00 1.31 0.00 0.00 55.95 56.87 1nxj s SER 40 Cb -0.23 -0.06 -0.03 0.00 0.21 0.00 0.00 66.02 65.91 1nxj s SER 40 CO 0.28 -0.17 -0.05 0.42 0.41 0.00 0.00 173.24 174.14 1nxj s THR 41 N -2.21 0.35 -0.15 1.44 -4.23 -1.26 -1.30 115.64 108.27 1nxj s THR 41 Ca 0.09 -1.42 -0.09 0.00 -1.18 0.00 0.00 61.69 59.09 1nxj s THR 41 Cb -0.04 -0.99 0.05 0.00 1.34 0.00 0.00 72.50 72.86 1nxj s THR 41 CO 0.03 -0.70 0.37 -0.69 -0.54 0.00 0.00 174.62 173.09 1nxj s VAL 42 N -2.60 -0.03 -0.12 2.29 1.01 -0.86 -1.35 120.40 118.75 1nxj s VAL 42 Ca -0.02 0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.05 1nxj s VAL 42 Cb -0.02 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 1nxj s VAL 42 CO -0.04 0.04 -0.11 -0.60 0.00 0.00 0.00 175.10 174.39 1nxj s ARG 43 N 1.29 3.25 0.35 2.72 3.52 0.16 -1.07 118.95 129.17 1nxj s ARG 43 Ca -0.09 -0.64 -0.11 0.00 -0.13 0.00 0.00 55.73 54.76 1nxj s ARG 43 Cb -0.08 -2.65 0.04 0.00 -1.56 0.00 0.00 34.95 30.70 1nxj s ARG 43 CO -0.11 0.33 0.66 0.00 -0.81 0.00 0.00 175.30 175.37 1nxj s PHE 45 N -2.92 -0.39 -1.12 0.00 5.36 -1.26 -3.92 117.98 113.73 1nxj s PHE 45 Ca 0.17 0.18 -0.04 0.00 -0.96 0.00 0.00 56.93 56.27 1nxj s PHE 45 Cb -0.04 -0.35 0.03 0.00 -0.34 0.00 0.00 43.02 42.33 1nxj s PHE 45 CO 0.12 -0.71 0.23 1.04 -1.46 0.00 0.00 175.22 174.45 1nxj n GLN 46 N 5.32 -2.88 -3.77 10.12 6.02 -1.26 -4.93 117.38 126.01 1nxj n GLN 46 Ca -0.04 0.53 -0.13 0.00 -0.01 0.00 0.00 57.00 57.34 1nxj n GLN 46 Cb 0.49 -5.18 -0.14 0.00 1.02 0.00 0.00 30.24 26.42 1nxj n GLN 46 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1nxj s ASP 47 N -2.35 -0.13 -0.08 1.08 2.15 -1.26 -0.84 116.67 115.25 1nxj s ASP 47 Ca 0.18 0.30 0.12 0.00 0.43 0.00 0.00 52.55 53.58 1nxj s ASP 47 Cb -0.09 0.22 0.19 0.00 -0.30 0.00 0.00 42.92 42.93 1nxj s ASP 47 CO 0.22 -0.12 1.08 -0.46 -0.17 0.00 0.00 175.17 175.72 1nxj n ASN 48 N 3.88 1.67 -0.14 -0.34 0.23 -0.57 -4.76 115.26 115.23 1nxj n ASN 48 Ca -0.23 -2.67 -0.12 0.00 -0.53 0.00 0.00 54.58 51.04 1nxj n ASN 48 Cb 0.54 -0.32 -0.00 0.00 -2.08 0.00 0.00 39.78 37.91 1nxj n ASN 48 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1nxj h ALA 49 N 0.00 0.65 -0.06 -2.53 0.00 -1.86 -2.19 119.26 113.26 1nxj h ALA 49 Ca 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1nxj h ALA 49 Cb 1.06 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1nxj h ALA 49 CO 0.00 0.68 -0.00 1.25 0.00 0.00 0.00 179.25 181.18 1nxj h LEU 50 N 0.82 0.11 -1.55 0.00 5.85 -1.84 -2.20 115.31 116.50 1nxj h LEU 50 Ca 0.09 -0.31 -0.05 0.00 0.84 0.00 0.00 57.88 58.45 1nxj h LEU 50 Cb 0.87 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 1nxj h LEU 50 CO 0.08 0.40 -0.23 0.17 -0.34 0.00 0.00 178.44 178.51 1nxj h LEU 51 N -0.18 0.00 -0.48 2.25 8.10 -1.88 -1.87 115.31 121.26 1nxj h LEU 51 Ca 0.02 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.85 1nxj h LEU 51 Cb 0.34 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.55 1nxj h LEU 51 CO 0.00 0.23 -0.44 0.50 -4.11 0.00 0.00 178.44 174.63 1nxj h LYS 52 N 0.00 0.77 -0.44 0.17 3.64 -1.26 -1.14 116.57 118.30 1nxj h LYS 52 Ca -0.00 -0.42 -0.10 0.00 -1.27 0.00 0.00 60.65 58.86 1nxj h LYS 52 Cb 0.43 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1nxj h LYS 52 CO 0.03 1.05 -0.11 0.66 -2.27 0.00 0.00 179.45 178.81 1nxj h SER 53 N 0.62 0.79 -0.47 4.20 4.64 -0.83 -1.13 113.55 121.36 1nxj h SER 53 Ca 0.04 -0.24 -0.05 0.00 -0.47 0.00 0.00 61.79 61.08 1nxj h SER 53 Cb 1.00 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.86 1nxj h SER 53 CO 0.10 0.92 0.11 0.58 -0.87 0.00 0.00 176.83 177.67 1nxj h VAL 54 N 0.72 1.24 0.00 0.95 2.07 -1.17 -2.35 116.25 117.71 1nxj h VAL 54 Ca 0.12 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1nxj h VAL 54 Cb 0.60 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1nxj h VAL 54 CO 0.04 0.30 0.00 0.18 0.02 0.00 0.00 177.57 178.11 1nxj n LEU 55 N -4.49 0.00 0.21 2.57 4.77 -0.45 -2.49 117.00 117.12 1nxj n LEU 55 Ca 0.01 0.36 0.12 0.00 -0.03 0.00 0.00 56.01 56.46 1nxj n LEU 55 Cb 0.22 -0.36 0.18 0.00 -2.33 0.00 0.00 43.42 41.13 1nxj n LEU 55 CO 0.39 -0.08 0.79 0.28 -1.33 0.00 0.00 177.39 177.44 1nxj h SER 56 N 0.00 0.00 -3.70 -1.43 0.02 -0.64 -3.39 113.55 104.41 1nxj h SER 56 Ca 0.00 -0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.45 1nxj h SER 56 Cb 0.27 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 1nxj h SER 56 CO 0.00 0.00 0.18 -1.10 -1.14 0.00 0.00 176.83 174.77 1nxj s GLN 57 N -3.21 4.29 0.46 3.45 -0.21 -1.04 -4.98 119.66 118.41 1nxj s GLN 57 Ca 0.07 0.96 -0.25 0.00 0.02 0.00 0.00 55.36 56.16 1nxj s GLN 57 Cb 0.06 -2.74 -0.08 0.00 1.00 0.00 0.00 33.01 31.25 1nxj s GLN 57 CO 0.67 0.30 1.34 -2.30 -2.12 0.00 0.00 175.29 173.18 1nxj n PRO 58 N 0.41 1.99 -3.93 2.91 -0.02 -1.26 -4.86 135.00 130.24 1nxj n PRO 58 Ca 0.00 0.71 -0.13 0.00 -2.02 0.00 0.00 63.50 62.07 1nxj n PRO 58 Cb 0.51 -2.50 -0.14 0.00 -0.02 0.00 0.00 33.50 31.35 1nxj n PRO 58 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1nxj s SER 59 N -0.58 0.14 -1.37 2.55 0.15 0.21 -5.02 113.70 109.79 1nxj s SER 59 Ca 0.63 -0.02 -0.08 0.00 0.70 0.00 0.00 55.95 57.18 1nxj s SER 59 Cb -0.47 -0.02 0.10 0.00 -1.71 0.00 0.00 66.02 63.92 1nxj s SER 59 CO 0.56 0.01 2.31 0.00 1.20 0.00 0.00 173.24 177.32 1nxj n ALA 60 N 3.13 6.43 -2.78 5.45 0.00 -1.26 -4.23 120.51 127.25 1nxj n ALA 60 Ca -0.13 -4.06 -0.13 0.00 0.00 0.00 0.00 53.44 49.13 1nxj n ALA 60 Cb 0.59 -2.97 0.03 0.00 0.00 0.00 0.00 19.45 17.09 1nxj n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nxj n GLY 61 N 2.47 0.04 3.80 0.00 0.00 -0.58 -4.79 105.19 106.12 1nxj n GLY 61 Ca 0.58 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 46.05 1nxj n GLY 61 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nxj s GLY 62 N -2.92 1.60 -0.12 -0.02 0.00 -1.25 -4.09 107.32 100.52 1nxj s GLY 62 Ca 0.21 -0.38 0.02 0.00 0.00 0.00 0.00 44.72 44.57 1nxj s GLY 62 CO 0.25 0.11 -0.20 0.14 0.00 0.00 0.00 173.10 173.41 1nxj s VAL 63 N -3.23 1.82 -0.25 1.40 1.01 0.19 -0.61 120.40 120.73 1nxj s VAL 63 Ca 0.62 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.67 1nxj s VAL 63 Cb -0.14 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1nxj s VAL 63 CO 0.54 0.50 0.11 -0.22 0.00 0.00 0.00 175.10 176.03 1nxj s LEU 64 N 0.78 3.71 -0.28 3.92 2.96 -0.54 -1.17 118.68 128.07 1nxj s LEU 64 Ca -0.09 -0.08 -0.11 0.00 -0.22 0.00 0.00 54.13 53.63 1nxj s LEU 64 Cb -0.16 -2.00 -0.05 0.00 0.50 0.00 0.00 46.19 44.49 1nxj s LEU 64 CO 0.00 0.00 0.18 -0.69 -1.32 0.00 0.00 176.35 174.52 1nxj s VAL 65 N 1.42 5.19 -0.25 1.68 1.01 -0.42 -1.00 120.40 128.03 1nxj s VAL 65 Ca 0.06 0.13 -0.05 0.00 0.00 0.00 0.00 61.98 62.12 1nxj s VAL 65 Cb -0.15 -3.47 -0.00 0.00 0.00 0.00 0.00 36.38 32.76 1nxj s VAL 65 CO 0.05 0.26 0.00 -0.63 0.00 0.00 0.00 175.10 174.79 1nxj s ILE 66 N 1.74 3.60 -0.51 2.22 1.01 0.80 -2.02 121.20 128.04 1nxj s ILE 66 Ca 0.07 -0.58 -0.16 0.00 0.00 0.00 0.00 60.65 59.98 1nxj s ILE 66 Cb -0.16 -2.73 0.09 0.00 0.01 0.00 0.00 42.46 39.67 1nxj s ILE 66 CO 0.10 0.29 0.47 -0.62 0.00 0.00 0.00 174.94 175.17 1nxj s ASP 67 N 1.48 6.17 -0.35 3.58 2.15 -0.23 -0.15 116.67 129.33 1nxj s ASP 67 Ca 0.04 -1.47 0.07 0.00 0.43 0.00 0.00 52.55 51.63 1nxj s ASP 67 Cb -0.15 -2.21 0.59 0.00 -0.30 0.00 0.00 42.92 40.85 1nxj s ASP 67 CO -0.01 -0.76 1.66 0.61 -0.17 0.00 0.00 175.17 176.49 1nxj n GLY 68 N 5.22 4.62 2.71 2.66 0.00 -0.39 -1.15 105.19 118.87 1nxj n GLY 68 Ca -0.12 -1.15 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 1nxj n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nxj n ALA 69 N -1.03 -0.19 -1.13 4.61 0.00 -1.20 -2.16 120.51 119.42 1nxj n ALA 69 Ca 0.43 0.20 -0.05 0.00 0.00 0.00 0.00 53.44 54.03 1nxj n ALA 69 Cb 1.30 -1.77 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 1nxj n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nxj n GLY 70 N -0.05 0.68 3.76 0.00 0.00 0.60 -4.97 105.19 105.21 1nxj n GLY 70 Ca -0.12 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 1nxj n GLY 70 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nxj s SER 71 N -2.45 6.40 -0.14 1.61 0.15 -0.92 -4.63 113.70 113.73 1nxj s SER 71 Ca 0.00 2.96 0.15 0.00 0.70 0.00 0.00 55.95 59.76 1nxj s SER 71 Cb 0.00 -2.65 0.47 0.00 -1.71 0.00 0.00 66.02 62.13 1nxj s SER 71 CO 0.00 -0.86 1.38 0.18 1.20 0.00 0.00 173.24 175.13 1nxj n LEU 72 N 1.42 3.64 0.05 3.45 4.77 -1.26 -2.39 117.00 126.68 1nxj n LEU 72 Ca 0.05 -2.77 -0.15 0.00 -0.03 0.00 0.00 56.01 53.11 1nxj n LEU 72 Cb 0.39 -0.47 -0.14 0.00 -2.33 0.00 0.00 43.42 40.87 1nxj n LEU 72 CO 0.63 0.69 -0.32 -0.74 -1.33 0.00 0.00 177.39 176.32 1nxj h HIS 73 N 1.83 0.34 -3.78 -1.77 2.76 -1.93 -3.43 115.15 109.18 1nxj h HIS 73 Ca 0.00 -0.25 -0.24 0.00 -2.20 0.00 0.00 60.37 57.68 1nxj h HIS 73 Cb 1.27 -0.01 -0.15 0.00 1.55 0.00 0.00 27.41 30.06 1nxj h HIS 73 CO 0.43 1.30 -0.70 0.95 -1.30 0.00 0.00 177.93 178.61 1nxj s THR 74 N -2.62 0.74 -0.30 6.26 -4.23 -1.26 -4.58 115.64 109.64 1nxj s THR 74 Ca -0.08 -1.87 -0.21 0.00 -1.18 0.00 0.00 61.69 58.35 1nxj s THR 74 Cb 0.07 -1.61 -0.01 0.00 1.34 0.00 0.00 72.50 72.30 1nxj s THR 74 CO 0.84 -0.81 0.65 0.00 -0.54 0.00 0.00 174.62 174.77 1nxj s ALA 75 N -3.37 3.54 0.11 3.99 0.00 0.27 -3.98 121.76 122.31 1nxj s ALA 75 Ca 0.10 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.48 1nxj s ALA 75 Cb 0.04 -3.13 -0.20 0.00 0.00 0.00 0.00 23.12 19.83 1nxj s ALA 75 CO -0.04 -1.08 1.24 -0.07 0.00 0.00 0.00 175.76 175.82 1nxj h LEU 76 N 9.19 0.22 -7.94 0.00 3.38 -1.13 -3.29 115.31 115.75 1nxj h LEU 76 Ca -0.26 -0.23 -0.42 0.00 0.09 0.00 0.00 57.88 57.06 1nxj h LEU 76 Cb 1.11 -0.07 -0.31 0.00 0.09 0.00 0.00 40.66 41.48 1nxj h LEU 76 CO 0.81 1.15 -0.78 -0.69 0.09 0.00 0.00 178.44 179.01 1nxj s VAL 77 N -2.79 0.75 0.00 1.22 1.01 -1.24 -4.80 120.40 114.55 1nxj s VAL 77 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1nxj s VAL 77 Cb 0.09 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.79 1nxj s VAL 77 CO 0.85 0.24 0.00 0.61 0.00 0.00 0.00 175.10 176.80 1nxj n GLY 78 N 3.38 5.15 0.27 4.51 0.00 -1.26 -1.22 105.19 116.01 1nxj n GLY 78 Ca -0.19 -1.87 0.17 0.00 0.00 0.00 0.00 46.02 44.13 1nxj n GLY 78 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1nxj h ASP 79 N 0.00 0.00 0.10 1.61 3.04 -1.86 -1.95 116.42 117.36 1nxj h ASP 79 Ca 0.00 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1nxj h ASP 79 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1nxj h ASP 79 CO 0.00 0.00 -0.05 0.58 -2.04 0.00 0.00 179.24 177.73 1nxj h VAL 80 N 0.00 1.12 -0.28 4.15 2.07 -1.96 -2.22 116.25 119.13 1nxj h VAL 80 Ca 0.00 -1.23 -0.12 0.00 0.82 0.00 0.00 66.70 66.17 1nxj h VAL 80 Cb 0.51 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1nxj h VAL 80 CO 0.00 0.28 -0.34 0.40 0.02 0.00 0.00 177.57 177.93 1nxj h ILE 81 N -0.74 1.29 -0.28 4.57 2.04 -1.95 -1.57 117.51 120.86 1nxj h ILE 81 Ca -0.01 -1.47 -0.01 0.00 1.00 0.00 0.00 64.86 64.37 1nxj h ILE 81 Cb 0.56 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1nxj h ILE 81 CO 0.02 0.47 0.13 0.00 0.00 0.00 0.00 178.15 178.77 1nxj h ALA 82 N 1.11 0.37 -0.72 1.87 0.00 -1.43 0.84 119.26 121.30 1nxj h ALA 82 Ca 0.06 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1nxj h ALA 82 Cb 0.83 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1nxj h ALA 82 CO 0.07 -0.07 0.19 1.49 0.00 0.00 0.00 179.25 180.93 1nxj h GLU 83 N 0.32 1.13 -0.01 0.00 4.57 -1.32 -0.88 114.58 118.39 1nxj h GLU 83 Ca 0.10 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 1nxj h GLU 83 Cb 0.13 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1nxj h GLU 83 CO -0.01 0.98 -0.01 1.25 -1.18 0.00 0.00 179.01 180.05 1nxj h LEU 84 N 1.08 -0.02 -0.32 1.64 5.85 -0.95 0.11 115.31 122.69 1nxj h LEU 84 Ca 0.23 0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.00 1nxj h LEU 84 Cb 0.35 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 1nxj h LEU 84 CO -0.00 -0.01 0.04 0.00 -0.34 0.00 0.00 178.44 178.13 1nxj h ALA 85 N 1.00 0.32 -0.84 1.25 0.00 -0.53 -1.44 119.26 119.02 1nxj h ALA 85 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1nxj h ALA 85 Cb 0.02 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1nxj h ALA 85 CO -0.02 -0.36 0.54 -0.09 0.00 0.00 0.00 179.25 179.33 1nxj h ARG 86 N 0.15 1.12 0.00 0.00 2.43 -0.84 -1.66 114.38 115.58 1nxj h ARG 86 Ca 0.15 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1nxj h ARG 86 Cb 0.18 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1nxj h ARG 86 CO -0.22 0.75 -0.03 0.66 -1.51 0.00 0.00 179.97 179.62 1nxj h SER 87 N 1.14 0.00 -0.04 -3.80 4.64 0.02 -2.81 113.55 112.71 1nxj h SER 87 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1nxj h SER 87 Cb -0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1nxj h SER 87 CO -0.06 0.03 0.00 0.35 -0.87 0.00 0.00 176.83 176.28 1nxj n THR 88 N -3.16 0.01 0.00 2.95 -2.24 -0.62 -4.98 114.28 106.24 1nxj n THR 88 Ca -0.00 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1nxj n THR 88 Cb 0.28 1.49 0.00 0.00 -2.10 0.00 0.00 70.33 70.00 1nxj n THR 88 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nxj n GLY 89 N 1.35 0.75 3.77 3.38 0.00 -1.05 -0.62 105.19 112.77 1nxj n GLY 89 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1nxj n GLY 89 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1nxj s TRP 90 N -2.00 3.16 -0.11 1.61 0.52 -0.66 -1.53 118.94 119.92 1nxj s TRP 90 Ca 0.00 1.53 0.22 0.00 0.02 0.00 0.00 56.10 57.87 1nxj s TRP 90 Cb 0.00 -3.49 -0.33 0.00 -1.15 0.00 0.00 33.47 28.50 1nxj s TRP 90 CO 0.00 -1.40 0.52 -2.37 0.02 0.00 0.00 176.95 173.72 1nxj n THR 91 N 0.60 0.00 -3.53 2.01 5.66 0.22 -4.38 114.28 114.85 1nxj n THR 91 Ca 0.01 -0.46 -0.14 0.00 -3.05 0.00 0.00 64.05 60.42 1nxj n THR 91 Cb 0.44 0.08 -0.05 0.00 -1.55 0.00 0.00 70.33 69.25 1nxj n THR 91 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1nxj s GLY 92 N -4.39 -0.46 -0.08 1.09 0.00 -1.17 -1.34 107.32 100.97 1nxj s GLY 92 Ca -0.07 1.51 0.02 0.00 0.00 0.00 0.00 44.72 46.18 1nxj s GLY 92 CO 0.91 0.89 -0.14 1.08 0.00 0.00 0.00 173.10 175.84 1nxj s LEU 93 N -1.36 1.67 -0.32 0.66 1.43 0.24 -1.46 118.68 119.54 1nxj s LEU 93 Ca -0.06 -0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 52.68 1nxj s LEU 93 Cb -0.00 -0.92 0.06 0.00 0.03 0.00 0.00 46.19 45.35 1nxj s LEU 93 CO 0.04 0.03 0.03 -0.63 0.23 0.00 0.00 176.35 176.06 1nxj s ILE 94 N 0.74 3.03 -0.36 -0.59 1.01 -0.17 -1.31 121.20 123.55 1nxj s ILE 94 Ca -0.13 -1.50 -0.09 0.00 0.00 0.00 0.00 60.65 58.93 1nxj s ILE 94 Cb -0.16 -2.80 0.03 0.00 0.01 0.00 0.00 42.46 39.54 1nxj s ILE 94 CO 0.03 -0.20 0.17 -0.69 0.00 0.00 0.00 174.94 174.24 1nxj s VAL 95 N 1.23 4.27 -1.34 2.92 1.01 0.12 -0.14 120.40 128.47 1nxj s VAL 95 Ca -0.03 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 60.88 1nxj s VAL 95 Cb -0.20 -3.39 0.11 0.00 0.00 0.00 0.00 36.38 32.90 1nxj s VAL 95 CO -0.02 -0.21 1.96 1.57 0.00 0.00 0.00 175.10 178.40 1nxj n HIS 96 N 4.93 3.46 0.00 5.22 -0.00 0.79 -3.58 115.22 126.03 1nxj n HIS 96 Ca -0.12 -2.91 0.00 0.00 0.46 0.00 0.00 57.72 55.15 1nxj n HIS 96 Cb 0.46 -2.24 0.00 0.00 -0.12 0.00 0.00 29.99 28.09 1nxj n HIS 96 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1nxj n GLY 97 N 3.57 -0.76 3.61 1.57 0.00 -1.26 -0.29 105.19 111.63 1nxj n GLY 97 Ca 0.45 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1nxj n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nxj s ALA 98 N -1.00 3.15 0.29 4.61 0.00 -1.01 -1.43 121.76 126.38 1nxj s ALA 98 Ca 0.00 -2.02 0.02 0.00 0.00 0.00 0.00 51.96 49.96 1nxj s ALA 98 Cb 0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 23.12 22.80 1nxj s ALA 98 CO 0.00 0.05 0.08 0.14 0.00 0.00 0.00 175.76 176.03 1nxj s VAL 99 N -2.56 0.84 0.31 0.00 -7.23 -0.64 -0.49 120.40 110.63 1nxj s VAL 99 Ca 0.34 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.54 1nxj s VAL 99 Cb 0.01 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.20 1nxj s VAL 99 CO 0.19 0.00 0.12 0.00 -0.31 0.00 0.00 175.10 175.09 1nxj s ARG 100 N -3.97 1.59 -1.41 4.82 1.70 -0.36 -1.84 118.95 119.48 1nxj s ARG 100 Ca 0.37 -1.90 -0.05 0.00 -0.47 0.00 0.00 55.73 53.68 1nxj s ARG 100 Cb 0.08 -0.36 0.01 0.00 -0.57 0.00 0.00 34.95 34.11 1nxj s ARG 100 CO 0.15 -0.36 0.65 -0.25 -1.08 0.00 0.00 175.30 174.40 1nxj n ASP 101 N -0.79 -5.84 -0.26 -2.89 8.00 -1.26 -4.21 116.55 109.30 1nxj n ASP 101 Ca -0.01 -0.30 0.07 0.00 0.71 0.00 0.00 54.79 55.26 1nxj n ASP 101 Cb 0.66 -4.63 0.20 0.00 -0.02 0.00 0.00 41.12 37.33 1nxj n ASP 101 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nxj h ALA 102 N 0.93 0.99 -0.74 2.24 0.00 -1.96 0.19 119.26 120.91 1nxj h ALA 102 Ca -0.50 0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.66 1nxj h ALA 102 Cb 1.34 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 19.37 1nxj h ALA 102 CO 0.52 -0.38 0.48 0.00 0.00 0.00 0.00 179.25 179.87 1nxj h ALA 103 N 1.67 1.64 0.06 0.00 0.00 -1.95 -2.48 119.26 118.21 1nxj h ALA 103 Ca 0.45 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 55.08 1nxj h ALA 103 Cb 0.80 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1nxj h ALA 103 CO -0.58 0.26 -1.20 0.00 0.00 0.00 0.00 179.25 177.73 1nxj h ALA 104 N 1.59 0.26 -0.52 0.00 0.00 -1.12 -3.34 119.26 116.14 1nxj h ALA 104 Ca 0.31 -0.96 0.02 0.00 0.00 0.00 0.00 54.91 54.29 1nxj h ALA 104 Cb 0.17 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1nxj h ALA 104 CO -0.10 1.15 0.34 -0.07 0.00 0.00 0.00 179.25 180.57 1nxj h LEU 105 N 0.04 0.54 -0.73 0.00 3.38 -0.43 -0.30 115.31 117.80 1nxj h LEU 105 Ca -0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1nxj h LEU 105 Cb 1.89 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.51 1nxj h LEU 105 CO 0.16 0.38 0.00 -2.11 0.09 0.00 0.00 178.44 176.96 1nxj n ARG 106 N -4.47 0.13 -0.44 1.13 1.85 -0.81 -1.85 116.66 112.21 1nxj n ARG 106 Ca 0.05 0.47 0.09 0.00 -1.00 0.00 0.00 57.85 57.46 1nxj n ARG 106 Cb 0.11 -1.80 0.28 0.00 -1.05 0.00 0.00 32.46 30.00 1nxj n ARG 106 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1nxj n GLY 107 N -0.53 2.93 3.40 2.89 0.00 -0.12 -3.73 105.19 110.03 1nxj n GLY 107 Ca 0.01 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 1nxj n GLY 107 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nxj s ILE 108 N -1.66 3.49 -0.83 -0.61 1.01 -0.77 -4.94 121.20 116.89 1nxj s ILE 108 Ca 0.42 -0.49 -0.16 0.00 0.00 0.00 0.00 60.65 60.42 1nxj s ILE 108 Cb 0.26 -2.53 -0.12 0.00 0.01 0.00 0.00 42.46 40.09 1nxj s ILE 108 CO 0.21 0.48 1.99 -0.67 0.00 0.00 0.00 174.94 176.95 1nxj n ASP 109 N 3.92 3.35 -3.55 3.58 2.03 -1.26 -0.44 116.55 124.17 1nxj n ASP 109 Ca -0.18 -2.56 -0.14 0.00 0.52 0.00 0.00 54.79 52.43 1nxj n ASP 109 Cb 0.52 -1.12 -0.05 0.00 -0.72 0.00 0.00 41.12 39.75 1nxj n ASP 109 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1nxj s ILE 110 N 4.41 0.02 0.14 5.18 2.07 -1.26 -4.89 121.20 126.88 1nxj s ILE 110 Ca 0.51 -0.18 -0.25 0.00 -1.41 0.00 0.00 60.65 59.31 1nxj s ILE 110 Cb 0.13 -0.97 -0.08 0.00 0.13 0.00 0.00 42.46 41.67 1nxj s ILE 110 CO 0.06 -0.10 0.77 -0.83 -1.91 0.00 0.00 174.94 172.93 1nxj s GLY 111 N -1.90 2.89 -0.11 1.50 0.00 -0.45 -2.20 107.32 107.05 1nxj s GLY 111 Ca -0.06 0.34 -0.04 0.00 0.00 0.00 0.00 44.72 44.95 1nxj s GLY 111 CO -0.01 0.88 0.23 -0.42 0.00 0.00 0.00 173.10 173.79 1nxj s ILE 112 N -0.98 -0.30 -0.02 0.90 1.01 -1.26 -0.60 121.20 119.95 1nxj s ILE 112 Ca 0.36 0.27 0.06 0.00 0.00 0.00 0.00 60.65 61.34 1nxj s ILE 112 Cb -0.23 -0.39 -0.01 0.00 0.01 0.00 0.00 42.46 41.84 1nxj s ILE 112 CO 0.25 0.11 -0.21 -0.54 0.00 0.00 0.00 174.94 174.56 1nxj s LYS 113 N 2.14 1.77 0.27 2.79 1.02 -0.42 -0.24 119.74 127.07 1nxj s LYS 113 Ca -0.01 -0.74 -0.16 0.00 0.02 0.00 0.00 55.97 55.08 1nxj s LYS 113 Cb -0.12 -1.67 0.01 0.00 -0.52 0.00 0.00 37.83 35.53 1nxj s LYS 113 CO -0.08 0.42 0.59 0.00 -0.92 0.00 0.00 175.35 175.36 1nxj s ALA 114 N -0.40 -0.63 -0.33 5.17 0.00 -0.89 0.15 121.76 124.84 1nxj s ALA 114 Ca 0.06 -0.66 0.22 0.00 0.00 0.00 0.00 51.96 51.58 1nxj s ALA 114 Cb -0.09 0.97 0.17 0.00 0.00 0.00 0.00 23.12 24.17 1nxj s ALA 114 CO -0.00 -0.93 1.34 -0.07 0.00 0.00 0.00 175.76 176.10 1nxj h LEU 115 N 2.14 0.00 0.00 0.00 3.38 -1.30 -0.19 115.31 119.35 1nxj h LEU 115 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1nxj h LEU 115 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1nxj h LEU 115 CO 0.31 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.51 1nxj n GLY 116 N 1.15 -0.76 3.23 0.83 0.00 -1.23 -4.82 105.19 103.59 1nxj n GLY 116 Ca 0.02 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 1nxj n GLY 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nxj s THR 117 N -3.00 1.06 -0.30 2.61 -4.23 -1.26 -1.62 115.64 108.90 1nxj s THR 117 Ca 0.00 -2.02 -0.15 0.00 -1.18 0.00 0.00 61.69 58.34 1nxj s THR 117 Cb 0.00 -1.79 0.16 0.00 1.34 0.00 0.00 72.50 72.20 1nxj s THR 117 CO 0.00 -0.77 0.97 0.21 -0.54 0.00 0.00 174.62 174.50 1nxj s ASN 118 N -3.11 -0.56 0.38 3.99 3.84 -0.77 -4.87 114.94 113.84 1nxj s ASN 118 Ca 0.15 0.82 0.28 0.00 0.21 0.00 0.00 52.86 54.32 1nxj s ASN 118 Cb 0.03 1.49 1.16 0.00 -0.55 0.00 0.00 41.25 43.38 1nxj s ASN 118 CO -0.01 -0.12 1.83 1.55 -2.79 0.00 0.00 177.10 177.56 1nxj h PRO 119 N 6.92 0.00 -6.76 0.43 0.13 -1.91 -3.29 132.00 127.52 1nxj h PRO 119 Ca -0.21 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.40 1nxj h PRO 119 Cb 1.15 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.35 1nxj h PRO 119 CO 0.13 0.00 0.91 0.50 -0.23 0.00 0.00 178.00 179.31 1nxj s ARG 120 N -3.47 4.13 0.49 0.86 3.52 -1.26 -4.83 118.95 118.39 1nxj s ARG 120 Ca 0.03 2.57 -0.14 0.00 -0.13 0.00 0.00 55.73 58.06 1nxj s ARG 120 Cb 0.09 -3.04 -0.07 0.00 -1.56 0.00 0.00 34.95 30.37 1nxj s ARG 120 CO 0.44 -0.65 0.92 0.15 -0.81 0.00 0.00 175.30 175.35 1nxj s LYS 121 N -0.08 3.85 0.50 5.12 1.02 -1.26 -0.56 119.74 128.33 1nxj s LYS 121 Ca 0.66 0.77 -0.05 0.00 0.02 0.00 0.00 55.97 57.37 1nxj s LYS 121 Cb -0.48 -2.21 -0.02 0.00 -0.52 0.00 0.00 37.83 34.60 1nxj s LYS 121 CO 0.44 -0.23 0.80 -1.12 -0.92 0.00 0.00 175.35 174.31 1nxj s SER 122 N -3.25 6.09 0.81 2.83 0.01 -1.24 -4.67 113.70 114.29 1nxj s SER 122 Ca 0.56 0.83 -0.12 0.00 1.31 0.00 0.00 55.95 58.53 1nxj s SER 122 Cb -0.10 -2.08 0.09 0.00 0.21 0.00 0.00 66.02 64.14 1nxj s SER 122 CO 0.34 -0.68 1.17 0.42 0.41 0.00 0.00 173.24 174.90 1nxj s THR 123 N -2.77 2.04 -0.37 1.44 -4.23 -0.02 -4.75 115.64 106.98 1nxj s THR 123 Ca 0.49 -0.05 0.11 0.00 -1.18 0.00 0.00 61.69 61.06 1nxj s THR 123 Cb -0.10 -2.99 0.45 0.00 1.34 0.00 0.00 72.50 71.19 1nxj s THR 123 CO 0.44 0.00 1.06 0.29 -0.54 0.00 0.00 174.62 175.88 1nxj n LYS 124 N -3.32 2.51 0.14 3.99 4.01 -1.26 -1.52 118.16 122.71 1nxj n LYS 124 Ca 0.09 -3.95 0.02 0.00 -0.51 0.00 0.00 58.31 53.96 1nxj n LYS 124 Cb 0.61 -1.85 0.08 0.00 -0.51 0.00 0.00 35.03 33.36 1nxj n LYS 124 CO 0.00 0.00 0.00 1.79 -1.11 0.00 0.00 177.40 178.08 1nxj h THR 125 N 2.94 0.99 0.00 -0.18 1.35 -1.96 -3.45 112.91 112.61 1nxj h THR 125 Ca 0.13 -2.22 0.00 0.00 -0.55 0.00 0.00 66.41 63.77 1nxj h THR 125 Cb 1.11 2.36 0.00 0.00 -1.73 0.00 0.00 68.15 69.89 1nxj h THR 125 CO 0.66 0.53 0.00 0.61 -0.25 0.00 0.00 175.52 177.07 1nxj n GLY 126 N 0.99 0.67 3.75 5.82 0.00 -1.26 -4.99 105.19 110.17 1nxj n GLY 126 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1nxj n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nxj s ALA 127 N -2.54 2.90 0.00 4.61 0.00 -1.26 -4.44 121.76 121.03 1nxj s ALA 127 Ca 0.00 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.34 1nxj s ALA 127 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1nxj s ALA 127 CO 0.00 -1.36 0.00 0.41 0.00 0.00 0.00 175.76 174.81 1nxj n GLY 128 N 0.70 1.01 3.05 0.00 0.00 -1.26 -4.71 105.19 103.98 1nxj n GLY 128 Ca 0.09 -1.97 -0.20 0.00 0.00 0.00 0.00 46.02 43.94 1nxj n GLY 128 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nxj s GLU 129 N -1.07 0.85 0.19 1.61 8.01 -0.30 -4.98 118.70 123.01 1nxj s GLU 129 Ca 0.00 -0.38 0.05 0.00 0.01 0.00 0.00 54.97 54.65 1nxj s GLU 129 Cb 0.00 -0.82 -0.04 0.00 -4.31 0.00 0.00 34.13 28.96 1nxj s GLU 129 CO 0.00 0.23 0.20 1.03 0.01 0.00 0.00 175.26 176.72 1nxj s ARG 130 N -0.26 3.05 -1.66 1.61 0.52 -1.26 -0.67 118.95 120.28 1nxj s ARG 130 Ca 0.04 -0.85 0.00 0.00 -0.52 0.00 0.00 55.73 54.40 1nxj s ARG 130 Cb -0.04 -2.71 0.00 0.00 0.52 0.00 0.00 34.95 32.72 1nxj s ARG 130 CO -0.00 0.47 0.00 -0.25 0.02 0.00 0.00 175.30 175.53 1nxj n ASP 131 N -0.68 -5.39 -4.95 0.23 8.00 -0.46 -4.96 116.55 108.34 1nxj n ASP 131 Ca -0.08 0.09 -0.23 0.00 0.71 0.00 0.00 54.79 55.28 1nxj n ASP 131 Cb 0.56 -4.54 0.01 0.00 -0.02 0.00 0.00 41.12 37.13 1nxj n ASP 131 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1nxj s VAL 132 N -2.90 4.17 0.05 2.53 -7.23 -1.26 -4.84 120.40 110.91 1nxj s VAL 132 Ca 0.00 -0.50 -0.23 0.00 -1.81 0.00 0.00 61.98 59.44 1nxj s VAL 132 Cb 0.00 -3.53 -0.06 0.00 0.56 0.00 0.00 36.38 33.35 1nxj s VAL 132 CO 0.00 -0.37 0.69 -1.61 -0.31 0.00 0.00 175.10 173.50 1nxj s GLU 133 N -4.51 4.41 -0.18 4.82 2.02 -1.26 -4.65 118.70 119.36 1nxj s GLU 133 Ca 0.47 0.93 0.01 0.00 0.02 0.00 0.00 54.97 56.40 1nxj s GLU 133 Cb -0.10 -3.33 0.02 0.00 0.10 0.00 0.00 34.13 30.83 1nxj s GLU 133 CO 0.37 0.39 -0.18 0.42 0.02 0.00 0.00 175.26 176.29 1nxj s ILE 134 N -0.38 1.94 -0.31 -1.63 1.01 -0.83 -4.95 121.20 116.06 1nxj s ILE 134 Ca 0.34 -0.89 -0.10 0.00 0.00 0.00 0.00 60.65 60.01 1nxj s ILE 134 Cb -0.20 -1.78 -0.01 0.00 0.01 0.00 0.00 42.46 40.48 1nxj s ILE 134 CO 0.21 0.50 0.15 -0.89 0.00 0.00 0.00 174.94 174.91 1nxj s THR 135 N 1.33 4.59 -0.03 2.92 2.01 -1.26 0.10 115.64 125.31 1nxj s THR 135 Ca 0.04 -0.43 0.02 0.00 0.31 0.00 0.00 61.69 61.64 1nxj s THR 135 Cb -0.13 -3.34 0.01 0.00 0.01 0.00 0.00 72.50 69.04 1nxj s THR 135 CO -0.12 0.06 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.04 1nxj s LEU 136 N 1.61 1.73 -1.31 4.42 1.43 0.24 -4.84 118.68 121.95 1nxj s LEU 136 Ca 0.05 -0.16 -0.06 0.00 -1.03 0.00 0.00 54.13 52.92 1nxj s LEU 136 Cb -0.17 -0.47 0.04 0.00 0.03 0.00 0.00 46.19 45.62 1nxj s LEU 136 CO 0.06 0.04 0.42 0.61 0.23 0.00 0.00 176.35 177.71 1nxj n GLY 137 N 3.39 -0.50 1.95 -3.19 0.00 -1.26 -1.31 105.19 104.28 1nxj n GLY 137 Ca -0.19 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1nxj n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nxj n GLY 138 N -1.18 0.70 3.21 -0.02 0.00 -1.26 -1.41 105.19 105.22 1nxj n GLY 138 Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 1nxj n GLY 138 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nxj s VAL 139 N -2.57 1.65 -0.29 1.61 1.01 -0.43 -4.90 120.40 116.49 1nxj s VAL 139 Ca 0.00 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.00 1nxj s VAL 139 Cb 0.00 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 1nxj s VAL 139 CO 0.00 0.47 0.18 -0.89 0.00 0.00 0.00 175.10 174.86 1nxj s THR 140 N -0.29 5.17 -0.43 3.92 2.01 -1.26 -0.60 115.64 124.16 1nxj s THR 140 Ca 0.03 0.05 -0.24 0.00 0.31 0.00 0.00 61.69 61.84 1nxj s THR 140 Cb -0.10 -3.49 0.02 0.00 0.01 0.00 0.00 72.50 68.94 1nxj s THR 140 CO 0.01 0.21 0.83 -0.36 -0.69 0.00 0.00 174.62 174.62 1nxj s PHE 141 N 1.73 3.01 -0.15 4.92 0.40 0.28 -4.91 117.98 123.26 1nxj s PHE 141 Ca 0.07 0.34 -0.05 0.00 -0.60 0.00 0.00 56.93 56.68 1nxj s PHE 141 Cb -0.16 -3.68 -0.04 0.00 0.51 0.00 0.00 43.02 39.65 1nxj s PHE 141 CO 0.10 -0.95 0.03 0.08 0.70 0.00 0.00 175.22 175.18 1nxj s VAL 142 N 3.37 4.49 0.24 -0.44 1.01 -1.26 -1.97 120.40 125.84 1nxj s VAL 142 Ca 0.32 -0.15 -0.31 0.00 0.00 0.00 0.00 61.98 61.84 1nxj s VAL 142 Cb -0.12 -2.98 -0.13 0.00 0.00 0.00 0.00 36.38 33.15 1nxj s VAL 142 CO 0.22 0.50 1.42 -2.65 0.00 0.00 0.00 175.10 174.59 1nxj n PRO 143 N 3.21 2.07 0.00 2.72 -0.02 -1.26 -1.31 135.00 140.41 1nxj n PRO 143 Ca -0.17 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1nxj n PRO 143 Cb 0.53 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1nxj n PRO 143 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nxj n GLY 144 N 2.12 3.05 3.77 -1.23 0.00 -0.15 -4.96 105.19 107.80 1nxj n GLY 144 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1nxj n GLY 144 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nxj s ASP 145 N 0.59 3.91 -0.17 1.61 1.11 -0.43 -4.58 116.67 118.71 1nxj s ASP 145 Ca 0.00 1.28 -0.07 0.00 0.18 0.00 0.00 52.55 53.94 1nxj s ASP 145 Cb 0.00 -1.96 -0.04 0.00 1.07 0.00 0.00 42.92 41.99 1nxj s ASP 145 CO 0.00 -2.34 0.06 -0.63 1.18 0.00 0.00 175.17 173.45 1nxj s ILE 146 N -3.11 4.82 -0.11 0.77 -1.09 0.11 -0.32 121.20 122.27 1nxj s ILE 146 Ca 0.62 -0.03 -0.03 0.00 -2.23 0.00 0.00 60.65 58.99 1nxj s ILE 146 Cb -0.16 -3.15 -0.03 0.00 -1.58 0.00 0.00 42.46 37.54 1nxj s ILE 146 CO 0.55 0.49 0.00 0.00 -1.23 0.00 0.00 174.94 174.76 1nxj s ALA 147 N 0.10 3.27 -0.08 9.38 0.00 -0.61 -0.73 121.76 133.08 1nxj s ALA 147 Ca 0.05 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.25 1nxj s ALA 147 Cb -0.12 -1.54 0.01 0.00 0.00 0.00 0.00 23.12 21.46 1nxj s ALA 147 CO 0.01 0.49 -0.18 0.71 0.00 0.00 0.00 175.76 176.79 1nxj s TYR 148 N -0.58 2.02 -0.02 0.00 1.51 0.24 -1.57 117.35 118.95 1nxj s TYR 148 Ca 0.10 -0.81 0.02 0.00 -1.01 0.00 0.00 57.07 55.37 1nxj s TYR 148 Cb -0.12 -1.40 0.01 0.00 -0.11 0.00 0.00 41.96 40.34 1nxj s TYR 148 CO 0.02 -0.36 -0.06 0.45 -1.11 0.00 0.00 175.55 174.49 1nxj s SER 149 N 0.53 0.92 0.00 2.29 0.15 0.52 -0.87 113.70 117.23 1nxj s SER 149 Ca -0.16 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.35 1nxj s SER 149 Cb -0.17 -0.28 0.00 0.00 -1.71 0.00 0.00 66.02 63.87 1nxj s SER 149 CO 0.06 0.02 0.00 -0.90 1.20 0.00 0.00 173.24 173.62 1nxj n ASP 150 N 3.44 0.00 0.21 5.45 5.68 -0.82 -1.48 116.55 129.04 1nxj n ASP 150 Ca -0.19 -0.96 0.15 0.00 -0.50 0.00 0.00 54.79 53.29 1nxj n ASP 150 Cb 0.54 0.00 0.75 0.00 -1.14 0.00 0.00 41.12 41.27 1nxj n ASP 150 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1nxj h ASP 151 N 0.00 0.00 0.32 -1.12 3.32 -2.02 -2.91 116.42 114.01 1nxj h ASP 151 Ca 0.00 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.72 1nxj h ASP 151 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1nxj h ASP 151 CO 0.00 0.00 -1.83 0.44 -1.72 0.00 0.00 179.24 176.13 1nxj h ASP 152 N 0.00 0.22 0.00 6.45 3.32 -1.96 -3.51 116.42 120.94 1nxj h ASP 152 Ca 0.00 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1nxj h ASP 152 Cb 0.10 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1nxj h ASP 152 CO 0.00 1.44 0.00 0.61 -1.72 0.00 0.00 179.24 179.57 1nxj n GLY 153 N 1.77 -0.63 2.82 2.75 0.00 -1.10 -5.09 105.19 105.71 1nxj n GLY 153 Ca -0.24 -0.54 -0.16 0.00 0.00 0.00 0.00 46.02 45.08 1nxj n GLY 153 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nxj s ILE 154 N -4.00 0.11 -0.04 -0.61 1.01 -1.26 -1.94 121.20 114.47 1nxj s ILE 154 Ca 0.00 0.10 0.06 0.00 0.00 0.00 0.00 60.65 60.81 1nxj s ILE 154 Cb 0.00 -0.20 -0.02 0.00 0.01 0.00 0.00 42.46 42.25 1nxj s ILE 154 CO 0.00 0.12 -0.20 -0.63 0.00 0.00 0.00 174.94 174.23 1nxj s ILE 155 N 0.89 2.60 -0.12 2.92 -1.09 -0.05 -1.52 121.20 124.83 1nxj s ILE 155 Ca -0.08 -0.90 0.02 0.00 -2.23 0.00 0.00 60.65 57.46 1nxj s ILE 155 Cb -0.12 -1.97 -0.00 0.00 -1.58 0.00 0.00 42.46 38.79 1nxj s ILE 155 CO -0.02 0.59 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.38 1nxj s VAL 156 N -0.66 2.34 0.00 2.92 1.01 -0.85 -0.59 120.40 124.57 1nxj s VAL 156 Ca 0.10 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1nxj s VAL 156 Cb -0.10 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.35 1nxj s VAL 156 CO -0.00 0.55 0.48 0.52 0.00 0.00 0.00 175.10 176.65