#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nxj s SER 4 N 0.00 7.27 0.50 4.38 1.04 -1.26 -4.77 113.70 120.85 1nxj s SER 4 Ca 0.00 1.50 -0.22 0.00 0.48 0.00 0.00 55.95 57.71 1nxj s SER 4 Cb 0.00 -2.46 -0.06 0.00 0.10 0.00 0.00 66.02 63.60 1nxj s SER 4 CO 0.00 0.17 1.19 0.12 0.98 0.00 0.00 173.24 175.70 1nxj s PHE 5 N -0.84 2.72 -0.08 5.02 5.36 -1.26 -4.98 117.98 123.92 1nxj s PHE 5 Ca 0.35 1.51 -0.05 0.00 -0.96 0.00 0.00 56.93 57.78 1nxj s PHE 5 Cb -0.22 -3.43 0.03 0.00 -0.34 0.00 0.00 43.02 39.06 1nxj s PHE 5 CO 0.24 -1.77 0.19 1.03 -1.46 0.00 0.00 175.22 173.44 1nxj s ARG 6 N -2.88 0.17 0.28 10.12 0.52 -1.26 -5.10 118.95 120.80 1nxj s ARG 6 Ca 0.67 0.37 -0.28 0.00 -0.52 0.00 0.00 55.73 55.97 1nxj s ARG 6 Cb -0.30 -0.05 -0.14 0.00 0.52 0.00 0.00 34.95 34.98 1nxj s ARG 6 CO 0.35 -0.11 0.98 -2.30 0.02 0.00 0.00 175.30 174.24 1nxj n PRO 7 N 3.71 1.23 0.08 3.54 -0.02 -1.26 -4.79 135.00 137.50 1nxj n PRO 7 Ca -0.20 0.43 0.07 0.00 -2.02 0.00 0.00 63.50 61.78 1nxj n PRO 7 Cb 0.55 -1.78 0.52 0.00 -0.02 0.00 0.00 33.50 32.77 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 1.94 1.03 -0.63 3.45 1.35 -1.93 -1.59 112.91 116.53 1nxj h THR 8 Ca -0.39 -0.11 -0.09 0.00 -0.55 0.00 0.00 66.41 65.28 1nxj h THR 8 Cb 1.35 0.68 -0.02 0.00 -1.73 0.00 0.00 68.15 68.42 1nxj h THR 8 CO 0.61 0.06 0.05 0.00 -0.25 0.00 0.00 175.52 175.99 1nxj h ALA 9 N 1.83 0.84 -0.60 6.62 0.00 -1.99 -1.27 119.26 124.68 1nxj h ALA 9 Ca 0.12 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1nxj h ALA 9 Cb 0.08 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1nxj h ALA 9 CO -0.03 0.64 0.18 -0.44 0.00 0.00 0.00 179.25 179.61 1nxj h ASP 10 N 0.98 0.88 -0.50 0.00 3.32 -1.66 -1.21 116.42 118.24 1nxj h ASP 10 Ca 0.18 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1nxj h ASP 10 Cb 0.50 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1nxj h ASP 10 CO 0.02 0.86 0.27 -0.07 -1.72 0.00 0.00 179.24 178.60 1nxj h LEU 11 N 0.86 0.63 -0.94 1.55 3.38 -1.15 -1.63 115.31 118.01 1nxj h LEU 11 Ca 0.19 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1nxj h LEU 11 Cb 0.30 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 1nxj h LEU 11 CO -0.00 0.54 0.62 0.58 0.09 0.00 0.00 178.44 180.27 1nxj h VAL 12 N 0.66 1.22 -0.42 1.22 2.07 -0.95 0.27 116.25 120.33 1nxj h VAL 12 Ca 0.18 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.29 1nxj h VAL 12 Cb 0.06 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 29.66 1nxj h VAL 12 CO -0.03 0.23 0.23 0.44 0.02 0.00 0.00 177.57 178.46 1nxj h ASP 13 N 1.25 0.35 -0.04 0.57 3.32 -0.56 -1.28 116.42 120.03 1nxj h ASP 13 Ca 0.35 0.01 -0.19 0.00 0.02 0.00 0.00 57.03 57.22 1nxj h ASP 13 Cb -0.11 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.39 1nxj h ASP 13 CO -0.09 0.25 -0.72 0.44 -1.72 0.00 0.00 179.24 177.41 1nxj h ASP 14 N 0.46 0.70 -0.37 6.45 3.32 -0.69 -3.34 116.42 122.94 1nxj h ASP 14 Ca 0.17 -0.72 -0.09 0.00 0.02 0.00 0.00 57.03 56.42 1nxj h ASP 14 Cb 0.04 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1nxj h ASP 14 CO -0.10 1.31 -0.12 0.40 -1.72 0.00 0.00 179.24 179.01 1nxj h ILE 15 N 0.14 1.28 0.00 0.35 2.04 -0.45 -3.50 117.51 117.38 1nxj h ILE 15 Ca -0.08 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.57 1nxj h ILE 15 Cb 1.39 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 1nxj h ILE 15 CO 0.14 0.40 0.00 0.61 0.00 0.00 0.00 178.15 179.30 1nxj n GLY 16 N -0.13 -2.88 0.52 5.37 0.00 -0.49 -4.69 105.19 102.88 1nxj n GLY 16 Ca -0.02 -2.12 0.34 0.00 0.00 0.00 0.00 46.02 44.22 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 1.10 0.07 -0.75 1.61 0.11 -1.95 -1.48 132.00 130.71 1nxj h PRO 17 Ca 0.00 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 1nxj h PRO 17 Cb 0.00 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.07 1nxj h PRO 17 CO 0.00 0.05 0.06 -0.25 -0.21 0.00 0.00 178.00 177.64 1nxj n ASP 18 N -4.27 4.17 -4.76 -2.05 8.00 -1.26 -4.96 116.55 111.41 1nxj n ASP 18 Ca 0.27 -2.70 -0.39 0.00 0.71 0.00 0.00 54.79 52.68 1nxj n ASP 18 Cb 1.25 -0.64 0.03 0.00 -0.02 0.00 0.00 41.12 41.73 1nxj n ASP 18 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1nxj s VAL 19 N -2.22 2.03 -0.93 2.53 0.11 -0.56 -4.91 120.40 116.45 1nxj s VAL 19 Ca 0.38 0.03 -0.17 0.00 -2.93 0.00 0.00 61.98 59.28 1nxj s VAL 19 Cb 0.29 -3.02 0.15 0.00 -1.53 0.00 0.00 36.38 32.28 1nxj s VAL 19 CO 0.10 0.00 1.07 -0.13 -3.33 0.00 0.00 175.10 172.82 1nxj s ARG 20 N -2.60 3.64 -0.19 1.54 0.52 -1.26 -4.99 118.95 115.61 1nxj s ARG 20 Ca 0.64 -1.99 -0.05 0.00 -0.52 0.00 0.00 55.73 53.82 1nxj s ARG 20 Cb -0.43 -4.82 -0.02 0.00 0.52 0.00 0.00 34.95 30.19 1nxj s ARG 20 CO 0.54 -1.66 -0.01 0.45 0.02 0.00 0.00 175.30 174.64 1nxj s SER 21 N 3.23 4.83 -0.05 0.23 0.15 -1.26 -1.84 113.70 118.99 1nxj s SER 21 Ca 0.30 -0.18 -0.30 0.00 0.70 0.00 0.00 55.95 56.47 1nxj s SER 21 Cb -0.06 -1.82 -0.04 0.00 -1.71 0.00 0.00 66.02 62.40 1nxj s SER 21 CO -0.09 0.09 1.26 0.00 1.20 0.00 0.00 173.24 175.70 1nxj h ASP 23 N 7.64 0.00 -2.80 0.00 5.19 -1.44 -3.40 116.42 121.61 1nxj h ASP 23 Ca -0.34 -0.01 -0.52 0.00 -0.62 0.00 0.00 57.03 55.53 1nxj h ASP 23 Cb 1.16 0.00 0.04 0.00 0.18 0.00 0.00 39.33 40.71 1nxj h ASP 23 CO 0.89 0.01 0.90 -0.22 -3.12 0.00 0.00 179.24 177.70 1nxj s LEU 24 N -5.56 4.37 -0.38 1.55 2.96 -1.26 -4.96 118.68 115.40 1nxj s LEU 24 Ca 0.07 2.62 -0.25 0.00 -0.22 0.00 0.00 54.13 56.34 1nxj s LEU 24 Cb 0.08 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 43.19 1nxj s LEU 24 CO 0.67 -0.84 0.90 -1.10 -1.32 0.00 0.00 176.35 174.66 1nxj s GLN 25 N 1.32 3.78 0.20 1.98 -1.52 -1.26 -4.96 119.66 119.20 1nxj s GLN 25 Ca 0.71 0.47 0.06 0.00 -1.95 0.00 0.00 55.36 54.66 1nxj s GLN 25 Cb -0.44 -3.82 -0.04 0.00 -0.22 0.00 0.00 33.01 28.50 1nxj s GLN 25 CO 0.31 -0.97 0.12 -0.06 -0.25 0.00 0.00 175.29 174.45 1nxj s PHE 26 N 3.44 3.06 0.03 0.91 0.40 -1.26 -4.89 117.98 119.66 1nxj s PHE 26 Ca 0.37 -0.08 -0.01 0.00 -0.60 0.00 0.00 56.93 56.60 1nxj s PHE 26 Cb -0.12 -1.43 -0.04 0.00 0.51 0.00 0.00 43.02 41.94 1nxj s PHE 26 CO 0.19 0.53 0.19 1.03 0.70 0.00 0.00 175.22 177.86 1nxj s ARG 27 N -3.37 3.41 -0.01 0.44 0.52 0.00 -4.91 118.95 115.03 1nxj s ARG 27 Ca 0.31 -0.40 -0.16 0.00 -0.52 0.00 0.00 55.73 54.97 1nxj s ARG 27 Cb -0.09 -3.05 -0.06 0.00 0.52 0.00 0.00 34.95 32.28 1nxj s ARG 27 CO 0.23 0.64 0.43 -0.65 0.02 0.00 0.00 175.30 175.97 1nxj s GLN 28 N -2.22 4.02 0.00 3.54 -1.52 -1.26 -1.87 119.66 120.35 1nxj s GLN 28 Ca 0.31 0.44 0.00 0.00 -1.95 0.00 0.00 55.36 54.16 1nxj s GLN 28 Cb -0.13 -3.26 0.00 0.00 -0.22 0.00 0.00 33.01 29.40 1nxj s GLN 28 CO 0.23 0.59 0.00 1.19 -0.25 0.00 0.00 175.29 177.05 1nxj n PHE 29 N 2.15 0.00 -2.01 0.91 3.72 0.62 -4.99 117.46 117.86 1nxj n PHE 29 Ca -0.12 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 56.99 1nxj n PHE 29 Cb 0.52 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 39.20 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 -1.38 1.72 0.51 1.37 0.00 -1.20 -2.10 107.32 106.24 1nxj s GLY 30 Ca 0.00 -1.08 0.30 0.00 0.00 0.00 0.00 44.72 43.94 1nxj s GLY 30 CO 0.00 -0.44 1.88 -1.33 0.00 0.00 0.00 173.10 173.22 1nxj h GLY 31 N -1.29 0.00 -5.84 0.20 0.00 -0.40 -3.43 103.07 92.31 1nxj h GLY 31 Ca -0.44 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.25 1nxj h GLY 31 CO 0.48 0.00 -0.64 0.50 0.00 0.00 0.00 176.54 176.88 1nxj s ARG 32 N -3.58 3.67 0.08 4.80 0.52 -1.08 -4.86 118.95 118.50 1nxj s ARG 32 Ca 0.02 -0.47 0.23 0.00 -0.52 0.00 0.00 55.73 54.99 1nxj s ARG 32 Cb 0.08 -2.96 0.01 0.00 0.52 0.00 0.00 34.95 32.60 1nxj s ARG 32 CO 0.59 0.30 0.98 -1.13 0.02 0.00 0.00 175.30 176.06 1nxj n SER 33 N 3.38 0.60 -4.10 0.23 3.41 -1.26 -4.24 113.62 111.64 1nxj n SER 33 Ca -0.17 -0.04 -0.26 0.00 -0.26 0.00 0.00 58.87 58.14 1nxj n SER 33 Cb 0.52 0.82 -0.16 0.00 -0.26 0.00 0.00 64.21 65.13 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 -3.27 1.88 0.14 4.33 -0.21 -1.26 -3.98 119.66 117.28 1nxj s GLN 34 Ca 0.01 -0.55 -0.22 0.00 0.02 0.00 0.00 55.36 54.62 1nxj s GLN 34 Cb 0.13 -1.56 0.06 0.00 1.00 0.00 0.00 33.01 32.64 1nxj s GLN 34 CO 0.81 0.14 0.56 -0.59 -2.12 0.00 0.00 175.29 174.09 1nxj s PHE 35 N 0.33 -0.47 -0.24 0.91 -0.12 -0.59 -4.90 117.98 112.90 1nxj s PHE 35 Ca -0.10 0.29 -0.24 0.00 -0.05 0.00 0.00 56.93 56.83 1nxj s PHE 35 Cb -0.14 0.48 0.07 0.00 -0.63 0.00 0.00 43.02 42.79 1nxj s PHE 35 CO 0.04 -0.79 0.67 0.00 -0.05 0.00 0.00 175.22 175.08 1nxj s ALA 36 N -3.55 -1.66 0.00 1.99 0.00 -1.26 -0.41 121.76 116.88 1nxj s ALA 36 Ca 0.00 1.86 0.00 0.00 0.00 0.00 0.00 51.96 53.82 1nxj s ALA 36 Cb -0.00 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 22.07 1nxj s ALA 36 CO -0.11 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.74 1nxj n GLY 37 N 2.64 0.28 3.75 0.00 0.00 -0.53 -4.82 105.19 106.50 1nxj n GLY 37 Ca -0.14 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 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 4.20 0.12 1.61 0.04 -1.26 -1.51 135.00 136.20 1nxj s PRO 38 Ca 0.00 2.43 -0.27 0.00 0.04 0.00 0.00 61.00 63.20 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 -0.50 0.86 0.42 0.04 0.00 0.00 177.00 177.82 1nxj s ILE 39 N -0.20 4.49 0.08 0.56 1.01 0.46 -0.63 121.20 126.97 1nxj s ILE 39 Ca 0.59 1.85 0.06 0.00 0.00 0.00 0.00 60.65 63.15 1nxj s ILE 39 Cb -0.44 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 37.78 1nxj s ILE 39 CO 0.48 0.40 -0.16 -0.44 0.00 0.00 0.00 174.94 175.22 1nxj s SER 40 N -0.43 1.87 0.13 3.58 0.01 -0.14 -1.37 113.70 117.35 1nxj s SER 40 Ca 0.41 -0.64 0.04 0.00 1.31 0.00 0.00 55.95 57.07 1nxj s SER 40 Cb -0.23 -0.07 -0.04 0.00 0.21 0.00 0.00 66.02 65.89 1nxj s SER 40 CO 0.27 -0.05 -0.10 0.42 0.41 0.00 0.00 173.24 174.19 1nxj s THR 41 N -1.27 1.09 -0.15 1.44 -4.23 -1.26 -0.84 115.64 110.41 1nxj s THR 41 Ca 0.00 -1.88 -0.08 0.00 -1.18 0.00 0.00 61.69 58.55 1nxj s THR 41 Cb -0.10 -1.64 0.06 0.00 1.34 0.00 0.00 72.50 72.15 1nxj s THR 41 CO 0.03 -0.66 0.35 -0.69 -0.54 0.00 0.00 174.62 173.11 1nxj s VAL 42 N -2.92 -0.05 -0.13 2.29 1.01 -0.65 0.00 120.40 119.95 1nxj s VAL 42 Ca 0.12 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.21 1nxj s VAL 42 Cb 0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 1nxj s VAL 42 CO 0.00 0.05 -0.11 -0.60 0.00 0.00 0.00 175.10 174.44 1nxj s ARG 43 N 1.39 3.44 0.28 2.72 3.52 0.11 -0.74 118.95 129.67 1nxj s ARG 43 Ca -0.09 -0.64 -0.09 0.00 -0.13 0.00 0.00 55.73 54.78 1nxj s ARG 43 Cb -0.09 -2.70 0.04 0.00 -1.56 0.00 0.00 34.95 30.64 1nxj s ARG 43 CO -0.11 0.24 0.53 0.00 -0.81 0.00 0.00 175.30 175.14 1nxj s PHE 45 N -4.03 -0.61 -1.40 0.00 5.36 -1.26 -4.02 117.98 112.02 1nxj s PHE 45 Ca 0.13 0.38 -0.10 0.00 -0.96 0.00 0.00 56.93 56.37 1nxj s PHE 45 Cb -0.03 -0.22 0.07 0.00 -0.34 0.00 0.00 43.02 42.51 1nxj s PHE 45 CO 0.10 -0.76 0.62 1.04 -1.46 0.00 0.00 175.22 174.76 1nxj n GLN 46 N 5.34 -3.97 -3.72 10.12 6.02 -1.26 -4.93 117.38 124.97 1nxj n GLN 46 Ca -0.03 0.54 -0.12 0.00 -0.01 0.00 0.00 57.00 57.38 1nxj n GLN 46 Cb 0.49 -5.31 -0.12 0.00 1.02 0.00 0.00 30.24 26.32 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 -2.87 -0.37 -0.09 1.08 2.15 -1.26 -1.34 116.67 113.97 1nxj s ASP 47 Ca 0.47 0.68 0.13 0.00 0.43 0.00 0.00 52.55 54.26 1nxj s ASP 47 Cb -0.24 0.58 0.20 0.00 -0.30 0.00 0.00 42.92 43.16 1nxj s ASP 47 CO 0.57 -0.17 1.09 -0.46 -0.17 0.00 0.00 175.17 176.04 1nxj n ASN 48 N 4.09 2.12 -0.08 -0.34 0.23 -0.81 -4.75 115.26 115.73 1nxj n ASN 48 Ca -0.23 -2.72 -0.11 0.00 -0.53 0.00 0.00 54.58 50.99 1nxj n ASN 48 Cb 0.54 -0.30 -0.04 0.00 -2.08 0.00 0.00 39.78 37.90 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 0.32 -0.12 -2.53 0.00 -1.87 -1.45 119.26 113.61 1nxj h ALA 49 Ca 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1nxj h ALA 49 Cb 0.88 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1nxj h ALA 49 CO 0.00 0.00 0.06 1.25 0.00 0.00 0.00 179.25 180.56 1nxj h LEU 50 N 0.21 0.16 -1.45 0.00 5.85 -1.84 -1.96 115.31 116.28 1nxj h LEU 50 Ca 0.07 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 1nxj h LEU 50 Cb 0.33 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1nxj h LEU 50 CO 0.00 0.24 -0.24 0.17 -0.34 0.00 0.00 178.44 178.28 1nxj h LEU 51 N 0.07 0.06 -0.58 2.25 8.10 -1.87 -2.08 115.31 121.26 1nxj h LEU 51 Ca 0.04 -0.01 -0.13 0.00 0.11 0.00 0.00 57.88 57.89 1nxj h LEU 51 Cb 0.12 -0.02 -0.01 0.00 -0.44 0.00 0.00 40.66 40.31 1nxj h LEU 51 CO -0.01 0.30 -0.26 0.50 -4.11 0.00 0.00 178.44 174.86 1nxj h LYS 52 N 0.06 0.85 -0.37 0.17 3.64 -0.94 -0.94 116.57 119.04 1nxj h LYS 52 Ca 0.01 -0.38 -0.09 0.00 -1.27 0.00 0.00 60.65 58.92 1nxj h LYS 52 Cb 0.45 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1nxj h LYS 52 CO 0.03 1.01 -0.15 0.66 -2.27 0.00 0.00 179.45 178.74 1nxj h SER 53 N 0.73 0.66 -0.25 4.20 4.64 -0.79 -1.14 113.55 121.61 1nxj h SER 53 Ca 0.09 -0.20 -0.06 0.00 -0.47 0.00 0.00 61.79 61.15 1nxj h SER 53 Cb 0.81 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 1nxj h SER 53 CO 0.07 0.83 -0.07 0.58 -0.87 0.00 0.00 176.83 177.37 1nxj h VAL 54 N 0.61 1.28 0.00 0.95 2.07 -1.18 -2.85 116.25 117.13 1nxj h VAL 54 Ca 0.10 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1nxj h VAL 54 Cb 0.60 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1nxj h VAL 54 CO 0.04 0.34 0.00 0.18 0.02 0.00 0.00 177.57 178.15 1nxj n LEU 55 N -4.54 0.21 -0.00 2.57 4.77 -0.38 -2.04 117.00 117.59 1nxj n LEU 55 Ca -0.04 0.55 0.14 0.00 -0.03 0.00 0.00 56.01 56.63 1nxj n LEU 55 Cb 0.30 -0.51 0.58 0.00 -2.33 0.00 0.00 43.42 41.46 1nxj n LEU 55 CO 0.39 -0.30 0.91 -1.20 -1.33 0.00 0.00 177.39 175.85 1nxj n SER 56 N -1.72 0.06 -4.87 -1.43 7.64 -0.45 -4.31 113.62 108.53 1nxj n SER 56 Ca 0.04 0.41 -0.33 0.00 1.01 0.00 0.00 58.87 59.99 1nxj n SER 56 Cb 0.21 -0.42 -0.05 0.00 -1.01 0.00 0.00 64.21 62.94 1nxj n SER 56 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1nxj s GLN 57 N -3.00 3.82 0.43 1.43 -1.52 -0.86 -4.99 119.66 114.97 1nxj s GLN 57 Ca 0.14 0.26 -0.25 0.00 -1.95 0.00 0.00 55.36 53.56 1nxj s GLN 57 Cb 0.19 -2.83 -0.09 0.00 -0.22 0.00 0.00 33.01 30.05 1nxj s GLN 57 CO 0.55 0.44 1.23 -2.30 -0.25 0.00 0.00 175.29 174.96 1nxj n PRO 58 N 0.39 1.81 -3.82 2.91 -0.02 -1.26 -4.85 135.00 130.16 1nxj n PRO 58 Ca -0.03 0.65 -0.13 0.00 -2.02 0.00 0.00 63.50 61.97 1nxj n PRO 58 Cb 0.52 -2.34 -0.13 0.00 -0.02 0.00 0.00 33.50 31.53 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 -0.60 -0.10 -1.33 2.55 0.15 0.14 -5.02 113.70 109.50 1nxj s SER 59 Ca 0.62 0.22 -0.10 0.00 0.70 0.00 0.00 55.95 57.39 1nxj s SER 59 Cb -0.51 0.19 0.13 0.00 -1.71 0.00 0.00 66.02 64.13 1nxj s SER 59 CO 0.57 -0.06 2.03 0.00 1.20 0.00 0.00 173.24 176.98 1nxj n ALA 60 N 3.28 5.64 -3.22 5.45 0.00 -1.26 -4.20 120.51 126.20 1nxj n ALA 60 Ca -0.15 -4.20 -0.19 0.00 0.00 0.00 0.00 53.44 48.89 1nxj n ALA 60 Cb 0.58 -3.06 0.05 0.00 0.00 0.00 0.00 19.45 17.02 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 2.90 -0.30 3.79 0.00 0.00 0.05 -4.80 105.19 106.82 1nxj n GLY 61 Ca 0.46 0.06 -0.29 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.08 1.60 -0.13 -0.02 0.00 -1.25 -4.10 107.32 100.34 1nxj s GLY 62 Ca 0.40 -0.35 0.02 0.00 0.00 0.00 0.00 44.72 44.80 1nxj s GLY 62 CO 0.50 0.14 -0.19 0.14 0.00 0.00 0.00 173.10 173.69 1nxj s VAL 63 N -3.20 1.86 -0.24 1.40 1.01 0.20 -0.51 120.40 120.92 1nxj s VAL 63 Ca 0.62 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.66 1nxj s VAL 63 Cb -0.15 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1nxj s VAL 63 CO 0.54 0.51 0.12 -0.22 0.00 0.00 0.00 175.10 176.05 1nxj s LEU 64 N 0.94 3.78 -0.30 3.92 2.96 -0.77 -0.96 118.68 128.26 1nxj s LEU 64 Ca -0.05 -0.04 -0.11 0.00 -0.22 0.00 0.00 54.13 53.70 1nxj s LEU 64 Cb -0.15 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 1nxj s LEU 64 CO -0.03 0.02 0.18 -0.69 -1.32 0.00 0.00 176.35 174.51 1nxj s VAL 65 N 1.32 5.10 -0.30 1.68 1.01 -0.02 -1.41 120.40 127.78 1nxj s VAL 65 Ca 0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.94 1nxj s VAL 65 Cb -0.15 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.76 1nxj s VAL 65 CO 0.05 0.17 0.06 -0.63 0.00 0.00 0.00 175.10 174.75 1nxj s ILE 66 N 1.71 3.69 -0.60 2.22 1.01 0.07 -1.64 121.20 127.67 1nxj s ILE 66 Ca 0.06 -0.87 -0.18 0.00 0.00 0.00 0.00 60.65 59.66 1nxj s ILE 66 Cb -0.16 -2.94 0.11 0.00 0.01 0.00 0.00 42.46 39.47 1nxj s ILE 66 CO 0.09 0.04 0.70 -0.62 0.00 0.00 0.00 174.94 175.15 1nxj s ASP 67 N 1.44 6.21 -0.37 3.58 2.15 0.08 -0.50 116.67 129.26 1nxj s ASP 67 Ca 0.01 -1.52 0.07 0.00 0.43 0.00 0.00 52.55 51.54 1nxj s ASP 67 Cb -0.18 -2.29 0.67 0.00 -0.30 0.00 0.00 42.92 40.82 1nxj s ASP 67 CO 0.01 -1.08 1.79 0.61 -0.17 0.00 0.00 175.17 176.34 1nxj n GLY 68 N 5.25 4.26 2.67 2.66 0.00 -0.55 -1.70 105.19 117.78 1nxj n GLY 68 Ca -0.09 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.78 -0.20 -1.10 4.61 0.00 -1.22 -2.27 120.51 119.55 1nxj n ALA 69 Ca 0.48 0.21 -0.04 0.00 0.00 0.00 0.00 53.44 54.09 1nxj n ALA 69 Cb 1.45 -1.75 -0.02 0.00 0.00 0.00 0.00 19.45 19.13 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 -0.20 0.55 3.77 0.00 0.00 0.07 -4.96 105.19 104.42 1nxj n GLY 70 Ca -0.13 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.28 6.34 -0.11 1.61 0.15 -0.96 -4.65 113.70 113.81 1nxj s SER 71 Ca 0.00 3.01 0.14 0.00 0.70 0.00 0.00 55.95 59.81 1nxj s SER 71 Cb 0.00 -2.65 0.44 0.00 -1.71 0.00 0.00 66.02 62.10 1nxj s SER 71 CO 0.00 -0.90 1.36 0.18 1.20 0.00 0.00 173.24 175.07 1nxj n LEU 72 N 1.29 3.51 0.10 3.45 4.77 -1.26 -2.63 117.00 126.23 1nxj n LEU 72 Ca 0.04 -2.60 -0.17 0.00 -0.03 0.00 0.00 56.01 53.26 1nxj n LEU 72 Cb 0.38 -0.42 -0.14 0.00 -2.33 0.00 0.00 43.42 40.91 1nxj n LEU 72 CO 0.64 0.70 -0.11 -0.74 -1.33 0.00 0.00 177.39 176.54 1nxj h HIS 73 N 1.91 0.55 -3.96 -1.77 2.76 -1.93 -3.43 115.15 109.28 1nxj h HIS 73 Ca 0.00 -0.40 -0.20 0.00 -2.20 0.00 0.00 60.37 57.57 1nxj h HIS 73 Cb 1.16 -0.02 -0.16 0.00 1.55 0.00 0.00 27.41 29.93 1nxj h HIS 73 CO 0.39 1.33 -0.70 0.95 -1.30 0.00 0.00 177.93 178.60 1nxj s THR 74 N -2.64 0.51 -0.25 6.26 -4.23 -1.26 -4.60 115.64 109.43 1nxj s THR 74 Ca -0.05 -1.69 -0.23 0.00 -1.18 0.00 0.00 61.69 58.54 1nxj s THR 74 Cb 0.07 -1.36 -0.01 0.00 1.34 0.00 0.00 72.50 72.54 1nxj s THR 74 CO 0.89 -0.80 0.76 0.00 -0.54 0.00 0.00 174.62 174.93 1nxj s ALA 75 N -3.17 3.64 0.02 3.99 0.00 0.31 -3.93 121.76 122.61 1nxj s ALA 75 Ca 0.05 -0.23 0.10 0.00 0.00 0.00 0.00 51.96 51.88 1nxj s ALA 75 Cb 0.02 -3.20 -0.14 0.00 0.00 0.00 0.00 23.12 19.80 1nxj s ALA 75 CO -0.05 -0.89 1.23 -0.07 0.00 0.00 0.00 175.76 175.98 1nxj h LEU 76 N 9.10 0.00 -7.75 0.00 3.38 -0.97 -3.26 115.31 115.80 1nxj h LEU 76 Ca -0.24 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.39 1nxj h LEU 76 Cb 1.10 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.54 1nxj h LEU 76 CO 0.84 0.86 -0.75 -0.69 0.09 0.00 0.00 178.44 178.79 1nxj s VAL 77 N -2.77 0.32 0.00 1.22 1.01 -1.24 -4.76 120.40 114.18 1nxj s VAL 77 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1nxj s VAL 77 Cb 0.09 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 36.13 1nxj s VAL 77 CO 0.80 0.14 0.00 0.61 0.00 0.00 0.00 175.10 176.65 1nxj n GLY 78 N 3.61 5.12 0.25 4.51 0.00 -1.26 -1.38 105.19 116.04 1nxj n GLY 78 Ca -0.21 -1.94 0.11 0.00 0.00 0.00 0.00 46.02 43.99 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 0.34 1.61 2.03 -1.85 -1.61 116.42 116.95 1nxj h ASP 79 Ca 0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.28 1nxj h ASP 79 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1nxj h ASP 79 CO 0.00 0.17 -0.17 0.58 -1.03 0.00 0.00 179.24 178.80 1nxj h VAL 80 N 0.00 0.60 -0.37 4.15 2.07 -1.96 -1.97 116.25 118.78 1nxj h VAL 80 Ca -0.00 -0.61 -0.09 0.00 0.82 0.00 0.00 66.70 66.82 1nxj h VAL 80 Cb 0.46 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1nxj h VAL 80 CO 0.02 0.11 -0.14 0.40 0.02 0.00 0.00 177.57 177.97 1nxj h ILE 81 N -0.84 1.25 -0.36 4.57 2.04 -1.95 -0.34 117.51 121.89 1nxj h ILE 81 Ca -0.05 -1.16 -0.02 0.00 1.00 0.00 0.00 64.86 64.63 1nxj h ILE 81 Cb 0.53 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1nxj h ILE 81 CO 0.08 0.39 0.15 0.00 0.00 0.00 0.00 178.15 178.77 1nxj h ALA 82 N 1.24 0.47 -0.25 1.87 0.00 -1.33 0.55 119.26 121.82 1nxj h ALA 82 Ca 0.10 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1nxj h ALA 82 Cb 0.59 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1nxj h ALA 82 CO 0.04 0.06 -0.36 1.49 0.00 0.00 0.00 179.25 180.49 1nxj h GLU 83 N 0.44 0.54 0.31 0.00 4.57 -1.24 -1.87 114.58 117.34 1nxj h GLU 83 Ca 0.12 -0.25 -0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1nxj h GLU 83 Cb 0.17 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1nxj h GLU 83 CO -0.01 0.82 -0.26 1.25 -1.18 0.00 0.00 179.01 179.63 1nxj h LEU 84 N 0.46 -0.67 -0.83 1.64 5.85 -0.62 0.28 115.31 121.41 1nxj h LEU 84 Ca 0.05 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.86 1nxj h LEU 84 Cb 0.83 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 1nxj h LEU 84 CO 0.07 -0.38 0.53 0.00 -0.34 0.00 0.00 178.44 178.31 1nxj h ALA 85 N 0.03 1.11 -0.25 1.25 0.00 -0.80 -1.97 119.26 118.63 1nxj h ALA 85 Ca -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1nxj h ALA 85 Cb 0.51 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1nxj h ALA 85 CO -0.02 0.33 0.15 -0.09 0.00 0.00 0.00 179.25 179.61 1nxj h ARG 86 N 1.00 0.34 -0.01 0.00 2.43 -0.97 -1.58 114.38 115.59 1nxj h ARG 86 Ca 0.34 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.46 1nxj h ARG 86 Cb 0.06 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1nxj h ARG 86 CO -0.13 0.28 -0.08 0.66 -1.51 0.00 0.00 179.97 179.19 1nxj h SER 87 N 0.30 0.01 -0.06 -3.80 4.64 -0.37 -2.25 113.55 112.03 1nxj h SER 87 Ca 0.09 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1nxj h SER 87 Cb 0.03 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1nxj h SER 87 CO -0.02 0.09 0.00 0.35 -0.87 0.00 0.00 176.83 176.39 1nxj n THR 88 N -4.44 0.06 0.00 2.95 -2.24 -0.79 -4.95 114.28 104.86 1nxj n THR 88 Ca -0.03 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1nxj n THR 88 Cb 0.16 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 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 1.18 0.56 3.77 3.38 0.00 -0.85 -0.68 105.19 112.54 1nxj n GLY 89 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 3.15 -0.10 1.61 0.52 -0.62 -0.77 118.94 120.72 1nxj s TRP 90 Ca 0.00 1.56 0.22 0.00 0.02 0.00 0.00 56.10 57.90 1nxj s TRP 90 Cb 0.00 -3.41 -0.33 0.00 -1.15 0.00 0.00 33.47 28.58 1nxj s TRP 90 CO 0.00 -1.25 0.51 -2.37 0.02 0.00 0.00 176.95 173.86 1nxj n THR 91 N 0.33 0.00 -3.50 2.01 5.66 0.33 -4.42 114.28 114.70 1nxj n THR 91 Ca 0.03 -0.47 -0.13 0.00 -3.05 0.00 0.00 64.05 60.44 1nxj n THR 91 Cb 0.46 0.07 -0.04 0.00 -1.55 0.00 0.00 70.33 69.27 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 -4.41 -0.50 -0.07 1.09 0.00 -1.17 -1.52 107.32 100.73 1nxj s GLY 92 Ca -0.07 1.16 0.02 0.00 0.00 0.00 0.00 44.72 45.83 1nxj s GLY 92 CO 0.91 0.61 -0.10 1.08 0.00 0.00 0.00 173.10 175.60 1nxj s LEU 93 N -1.90 1.53 -0.34 0.66 1.43 0.36 -1.84 118.68 118.58 1nxj s LEU 93 Ca -0.02 -0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 52.79 1nxj s LEU 93 Cb -0.01 -0.75 0.07 0.00 0.03 0.00 0.00 46.19 45.53 1nxj s LEU 93 CO -0.02 -0.00 0.07 -0.63 0.23 0.00 0.00 176.35 175.99 1nxj s ILE 94 N 0.83 3.07 -0.41 -0.59 1.01 -0.50 -0.99 121.20 123.62 1nxj s ILE 94 Ca -0.12 -1.63 -0.13 0.00 0.00 0.00 0.00 60.65 58.78 1nxj s ILE 94 Cb -0.15 -2.90 0.04 0.00 0.01 0.00 0.00 42.46 39.47 1nxj s ILE 94 CO 0.02 -0.31 0.28 -0.69 0.00 0.00 0.00 174.94 174.23 1nxj s VAL 95 N 1.21 4.83 -1.38 2.92 1.01 0.22 -0.75 120.40 128.45 1nxj s VAL 95 Ca -0.00 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 60.91 1nxj s VAL 95 Cb -0.21 -3.78 0.10 0.00 0.00 0.00 0.00 36.38 32.49 1nxj s VAL 95 CO -0.02 -0.38 2.07 1.57 0.00 0.00 0.00 175.10 178.34 1nxj n HIS 96 N 5.07 3.23 -0.63 5.22 -0.00 0.35 -3.49 115.22 124.97 1nxj n HIS 96 Ca -0.11 -2.89 0.00 0.00 0.46 0.00 0.00 57.72 55.18 1nxj n HIS 96 Cb 0.45 -2.26 0.00 0.00 -0.12 0.00 0.00 29.99 28.06 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 3.46 -0.70 3.67 1.57 0.00 -1.26 -0.75 105.19 111.18 1nxj n GLY 97 Ca 0.46 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 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 3.30 0.33 4.61 0.00 -1.08 -1.40 121.76 126.53 1nxj s ALA 98 Ca 0.00 -1.89 0.03 0.00 0.00 0.00 0.00 51.96 50.11 1nxj s ALA 98 Cb 0.00 -0.54 -0.05 0.00 0.00 0.00 0.00 23.12 22.53 1nxj s ALA 98 CO 0.00 0.07 0.09 0.14 0.00 0.00 0.00 175.76 176.06 1nxj s VAL 99 N -2.47 0.89 0.27 0.00 -7.23 -0.62 -0.27 120.40 110.97 1nxj s VAL 99 Ca 0.35 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.55 1nxj s VAL 99 Cb -0.01 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 1nxj s VAL 99 CO 0.21 0.00 0.16 0.00 -0.31 0.00 0.00 175.10 175.15 1nxj s ARG 100 N -3.87 1.49 -1.34 4.82 1.70 -0.48 -1.79 118.95 119.49 1nxj s ARG 100 Ca 0.33 -1.83 -0.09 0.00 -0.47 0.00 0.00 55.73 53.68 1nxj s ARG 100 Cb 0.07 0.02 0.01 0.00 -0.57 0.00 0.00 34.95 34.47 1nxj s ARG 100 CO 0.15 -0.43 1.17 -0.25 -1.08 0.00 0.00 175.30 174.85 1nxj n ASP 101 N -0.77 -6.27 -0.21 -2.89 8.00 -1.26 -4.14 116.55 109.01 1nxj n ASP 101 Ca 0.02 -0.53 0.02 0.00 0.71 0.00 0.00 54.79 55.01 1nxj n ASP 101 Cb 0.65 -4.97 0.13 0.00 -0.02 0.00 0.00 41.12 36.91 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 1.00 0.77 -0.88 2.24 0.00 -1.96 0.17 119.26 120.60 1nxj h ALA 102 Ca -0.56 0.15 0.10 0.00 0.00 0.00 0.00 54.91 54.60 1nxj h ALA 102 Cb 1.36 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 19.31 1nxj h ALA 102 CO 0.55 -0.33 0.57 0.00 0.00 0.00 0.00 179.25 180.04 1nxj h ALA 103 N 1.53 1.66 0.14 0.00 0.00 -1.95 -2.33 119.26 118.31 1nxj h ALA 103 Ca 0.35 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.97 1nxj h ALA 103 Cb 0.55 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1nxj h ALA 103 CO -0.45 0.16 -1.28 0.00 0.00 0.00 0.00 179.25 177.67 1nxj h ALA 104 N 1.56 0.07 -0.83 0.00 0.00 -1.51 -3.32 119.26 115.24 1nxj h ALA 104 Ca 0.41 -0.89 0.10 0.00 0.00 0.00 0.00 54.91 54.52 1nxj h ALA 104 Cb 0.43 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 1nxj h ALA 104 CO -0.17 0.95 0.54 -0.07 0.00 0.00 0.00 179.25 180.50 1nxj h LEU 105 N 0.08 0.72 -2.57 0.00 3.38 -0.48 -0.89 115.31 115.54 1nxj h LEU 105 Ca -0.15 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1nxj h LEU 105 Cb 2.00 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.61 1nxj h LEU 105 CO 0.21 0.43 0.09 0.03 0.09 0.00 0.00 178.44 179.28 1nxj h ARG 106 N 0.80 0.00 -0.31 1.13 3.08 -1.23 -1.24 114.38 116.61 1nxj h ARG 106 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.43 1nxj h ARG 106 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1nxj h ARG 106 CO -0.15 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.16 1nxj n GLY 107 N -1.23 1.43 3.70 0.04 0.00 -0.34 -3.45 105.19 105.34 1nxj n GLY 107 Ca -0.02 -0.69 -0.37 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 -1.60 5.30 -0.80 -0.61 1.01 -0.47 -4.90 121.20 119.13 1nxj s ILE 108 Ca 0.37 0.49 -0.16 0.00 0.00 0.00 0.00 60.65 61.35 1nxj s ILE 108 Cb 0.22 -3.62 -0.12 0.00 0.01 0.00 0.00 42.46 38.95 1nxj s ILE 108 CO 0.31 0.36 1.97 -0.67 0.00 0.00 0.00 174.94 176.90 1nxj n ASP 109 N 3.89 3.29 -3.53 3.58 2.03 -1.26 -0.80 116.55 123.75 1nxj n ASP 109 Ca -0.12 -2.54 -0.14 0.00 0.52 0.00 0.00 54.79 52.51 1nxj n ASP 109 Cb 0.52 -1.09 -0.05 0.00 -0.72 0.00 0.00 41.12 39.78 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 4.45 0.02 0.12 5.18 2.07 -1.26 -4.89 121.20 126.89 1nxj s ILE 110 Ca 0.50 -0.15 -0.23 0.00 -1.41 0.00 0.00 60.65 59.35 1nxj s ILE 110 Cb 0.13 -0.99 -0.07 0.00 0.13 0.00 0.00 42.46 41.66 1nxj s ILE 110 CO 0.06 -0.08 0.71 -0.83 -1.91 0.00 0.00 174.94 172.89 1nxj s GLY 111 N -1.98 2.83 -0.11 1.50 0.00 -0.57 -2.09 107.32 106.90 1nxj s GLY 111 Ca -0.05 0.25 -0.04 0.00 0.00 0.00 0.00 44.72 44.88 1nxj s GLY 111 CO -0.02 0.78 0.22 -0.42 0.00 0.00 0.00 173.10 173.66 1nxj s ILE 112 N -0.98 -0.28 -0.05 0.90 1.01 -1.26 -0.49 121.20 120.05 1nxj s ILE 112 Ca 0.34 0.27 0.05 0.00 0.00 0.00 0.00 60.65 61.32 1nxj s ILE 112 Cb -0.22 -0.37 -0.01 0.00 0.01 0.00 0.00 42.46 41.87 1nxj s ILE 112 CO 0.24 0.11 -0.21 -0.54 0.00 0.00 0.00 174.94 174.54 1nxj s LYS 113 N 2.09 2.11 0.26 2.79 1.02 -0.16 -0.27 119.74 127.58 1nxj s LYS 113 Ca -0.01 -0.75 -0.13 0.00 0.02 0.00 0.00 55.97 55.10 1nxj s LYS 113 Cb -0.12 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.37 1nxj s LYS 113 CO -0.07 0.32 0.52 0.00 -0.92 0.00 0.00 175.35 175.19 1nxj s ALA 114 N -0.10 -0.33 -0.28 5.17 0.00 -0.78 0.68 121.76 126.13 1nxj s ALA 114 Ca -0.03 -0.83 0.21 0.00 0.00 0.00 0.00 51.96 51.31 1nxj s ALA 114 Cb -0.12 1.04 0.09 0.00 0.00 0.00 0.00 23.12 24.13 1nxj s ALA 114 CO 0.03 -0.88 1.22 -0.07 0.00 0.00 0.00 175.76 176.06 1nxj h LEU 115 N 2.21 0.00 0.00 0.00 3.38 -1.27 0.05 115.31 119.68 1nxj h LEU 115 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 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 0.34 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.58 1nxj n GLY 116 N 1.18 -0.91 3.27 0.83 0.00 -1.23 -4.83 105.19 103.50 1nxj n GLY 116 Ca 0.00 -0.80 -0.15 0.00 0.00 0.00 0.00 46.02 45.07 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 1.14 -0.30 2.61 -4.23 -1.26 -1.60 115.64 109.01 1nxj s THR 117 Ca 0.00 -2.06 -0.15 0.00 -1.18 0.00 0.00 61.69 58.30 1nxj s THR 117 Cb 0.00 -1.97 0.16 0.00 1.34 0.00 0.00 72.50 72.03 1nxj s THR 117 CO 0.00 -0.64 0.99 0.21 -0.54 0.00 0.00 174.62 174.64 1nxj s ASN 118 N -3.20 -0.54 0.21 3.99 3.84 -0.74 -4.86 114.94 113.64 1nxj s ASN 118 Ca 0.20 0.78 0.22 0.00 0.21 0.00 0.00 52.86 54.27 1nxj s ASN 118 Cb 0.03 1.47 0.91 0.00 -0.55 0.00 0.00 41.25 43.11 1nxj s ASN 118 CO 0.03 -0.11 1.67 -0.81 -2.79 0.00 0.00 177.10 175.08 1nxj n PRO 119 N 4.44 0.16 -1.97 0.43 -0.04 -1.26 -3.66 135.00 133.09 1nxj n PRO 119 Ca -0.13 0.38 -0.42 0.00 -0.04 0.00 0.00 63.50 63.30 1nxj n PRO 119 Cb 0.55 -1.80 -0.03 0.00 -0.04 0.00 0.00 33.50 32.18 1nxj n PRO 119 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1nxj s ARG 120 N -3.25 4.24 0.58 0.54 3.52 -1.26 -4.86 118.95 118.46 1nxj s ARG 120 Ca 0.05 2.33 -0.10 0.00 -0.13 0.00 0.00 55.73 57.87 1nxj s ARG 120 Cb 0.09 -3.14 -0.04 0.00 -1.56 0.00 0.00 34.95 30.30 1nxj s ARG 120 CO 0.37 -0.53 0.98 0.15 -0.81 0.00 0.00 175.30 175.46 1nxj s LYS 121 N 0.54 3.62 0.46 5.12 1.02 -1.26 -0.53 119.74 128.70 1nxj s LYS 121 Ca 0.65 0.66 -0.03 0.00 0.02 0.00 0.00 55.97 57.28 1nxj s LYS 121 Cb -0.43 -2.14 -0.02 0.00 -0.52 0.00 0.00 37.83 34.72 1nxj s LYS 121 CO 0.36 -0.47 0.72 -1.12 -0.92 0.00 0.00 175.35 173.92 1nxj s SER 122 N -4.06 6.04 0.86 2.83 0.01 -1.23 -4.65 113.70 113.49 1nxj s SER 122 Ca 0.54 0.61 -0.13 0.00 1.31 0.00 0.00 55.95 58.28 1nxj s SER 122 Cb -0.11 -1.91 0.12 0.00 0.21 0.00 0.00 66.02 64.33 1nxj s SER 122 CO 0.50 -0.63 1.23 0.42 0.41 0.00 0.00 173.24 175.17 1nxj s THR 123 N -2.64 2.01 -0.39 1.44 -4.23 -0.45 -4.77 115.64 106.61 1nxj s THR 123 Ca 0.47 -0.01 0.12 0.00 -1.18 0.00 0.00 61.69 61.09 1nxj s THR 123 Cb -0.10 -3.00 0.41 0.00 1.34 0.00 0.00 72.50 71.15 1nxj s THR 123 CO 0.41 0.00 0.93 0.29 -0.54 0.00 0.00 174.62 175.71 1nxj n LYS 124 N -3.47 1.85 0.08 3.99 4.01 -1.26 -1.93 118.16 121.43 1nxj n LYS 124 Ca 0.11 -3.75 -0.03 0.00 -0.51 0.00 0.00 58.31 54.12 1nxj n LYS 124 Cb 0.60 -1.69 -0.07 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 2.44 1.32 0.00 -0.18 1.35 -1.96 -3.45 112.91 112.43 1nxj h THR 125 Ca 0.06 -2.90 0.00 0.00 -0.55 0.00 0.00 66.41 63.02 1nxj h THR 125 Cb 0.99 2.64 0.00 0.00 -1.73 0.00 0.00 68.15 70.05 1nxj h THR 125 CO 0.61 0.75 0.00 0.61 -0.25 0.00 0.00 175.52 177.24 1nxj n GLY 126 N 1.32 0.54 3.72 5.82 0.00 -1.26 -4.99 105.19 110.34 1nxj n GLY 126 Ca -0.01 0.00 -0.38 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 n ALA 127 N -1.58 1.22 0.00 4.61 0.00 -1.26 -4.43 120.51 119.06 1nxj n ALA 127 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1nxj n ALA 127 Cb 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.13 1nxj n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nxj n GLY 128 N 0.90 0.94 3.08 0.00 0.00 -1.26 -4.71 105.19 104.12 1nxj n GLY 128 Ca 0.14 -2.09 -0.17 0.00 0.00 0.00 0.00 46.02 43.90 1nxj n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1nxj s GLU 129 N -1.04 0.68 0.17 1.61 -1.05 -0.18 -4.98 118.70 113.91 1nxj s GLU 129 Ca 0.00 -0.64 0.09 0.00 -0.15 0.00 0.00 54.97 54.26 1nxj s GLU 129 Cb 0.00 -0.60 -0.04 0.00 -0.44 0.00 0.00 34.13 33.05 1nxj s GLU 129 CO 0.00 0.14 -0.09 -0.98 0.95 0.00 0.00 175.26 175.28 1nxj s ARG 130 N -1.10 2.10 -1.43 -4.83 1.70 -1.26 0.08 118.95 114.20 1nxj s ARG 130 Ca -0.02 -1.23 -0.09 0.00 -0.47 0.00 0.00 55.73 53.92 1nxj s ARG 130 Cb -0.07 -2.19 0.05 0.00 -0.57 0.00 0.00 34.95 32.16 1nxj s ARG 130 CO 0.01 0.44 0.98 -0.25 -1.08 0.00 0.00 175.30 175.40 1nxj n ASP 131 N 0.11 -4.33 -4.88 -2.89 8.00 0.10 -4.94 116.55 107.72 1nxj n ASP 131 Ca -0.11 -0.72 -0.21 0.00 0.71 0.00 0.00 54.79 54.46 1nxj n ASP 131 Cb 0.55 -4.25 -0.03 0.00 -0.02 0.00 0.00 41.12 37.37 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 -3.38 3.93 0.09 2.53 -7.23 -1.26 -4.85 120.40 110.24 1nxj s VAL 132 Ca 0.49 -1.28 -0.28 0.00 -1.81 0.00 0.00 61.98 59.10 1nxj s VAL 132 Cb -0.23 -3.32 -0.06 0.00 0.56 0.00 0.00 36.38 33.33 1nxj s VAL 132 CO 0.80 -0.22 0.86 -1.61 -0.31 0.00 0.00 175.10 174.63 1nxj s GLU 133 N -4.00 4.61 -0.16 4.82 2.02 -1.26 -4.66 118.70 120.06 1nxj s GLU 133 Ca 0.40 1.27 0.01 0.00 0.02 0.00 0.00 54.97 56.66 1nxj s GLU 133 Cb -0.07 -3.36 0.01 0.00 0.10 0.00 0.00 34.13 30.81 1nxj s GLU 133 CO 0.27 0.28 -0.18 0.42 0.02 0.00 0.00 175.26 176.08 1nxj s ILE 134 N -0.17 2.34 -0.30 -1.63 1.01 -0.91 -4.95 121.20 116.59 1nxj s ILE 134 Ca 0.42 -0.87 -0.08 0.00 0.00 0.00 0.00 60.65 60.13 1nxj s ILE 134 Cb -0.22 -1.98 0.01 0.00 0.01 0.00 0.00 42.46 40.28 1nxj s ILE 134 CO 0.27 0.53 0.10 -0.89 0.00 0.00 0.00 174.94 174.95 1nxj s THR 135 N 1.04 4.12 -0.00 2.92 2.01 -1.26 0.11 115.64 124.56 1nxj s THR 135 Ca -0.01 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.34 1nxj s THR 135 Cb -0.14 -3.14 -0.00 0.00 0.01 0.00 0.00 72.50 69.22 1nxj s THR 135 CO -0.05 0.05 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.11 1nxj s LEU 136 N 1.52 2.01 -1.41 4.42 1.43 0.32 -4.86 118.68 122.11 1nxj s LEU 136 Ca 0.03 -0.10 -0.10 0.00 -1.03 0.00 0.00 54.13 52.93 1nxj s LEU 136 Cb -0.17 -0.28 0.07 0.00 0.03 0.00 0.00 46.19 45.83 1nxj s LEU 136 CO 0.03 0.07 0.64 0.61 0.23 0.00 0.00 176.35 177.93 1nxj n GLY 137 N 2.95 -0.49 2.41 -3.19 0.00 -1.26 -1.25 105.19 104.35 1nxj n GLY 137 Ca -0.13 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.36 0.66 3.23 -0.02 0.00 -1.26 -1.25 105.19 105.20 1nxj n GLY 138 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.69 1.61 -0.26 1.61 1.01 -0.38 -4.92 120.40 116.38 1nxj s VAL 139 Ca 0.00 -1.09 -0.08 0.00 0.00 0.00 0.00 61.98 60.80 1nxj s VAL 139 Cb 0.00 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1nxj s VAL 139 CO 0.00 0.26 0.11 -0.89 0.00 0.00 0.00 175.10 174.57 1nxj s THR 140 N -0.71 4.54 -0.43 3.92 2.01 -1.26 -0.52 115.64 123.19 1nxj s THR 140 Ca 0.07 -0.14 -0.24 0.00 0.31 0.00 0.00 61.69 61.68 1nxj s THR 140 Cb -0.08 -3.16 0.02 0.00 0.01 0.00 0.00 72.50 69.28 1nxj s THR 140 CO 0.01 0.28 0.86 -0.36 -0.69 0.00 0.00 174.62 174.72 1nxj s PHE 141 N 1.64 3.00 -0.18 4.92 0.40 0.29 -4.91 117.98 123.14 1nxj s PHE 141 Ca 0.06 0.40 -0.07 0.00 -0.60 0.00 0.00 56.93 56.73 1nxj s PHE 141 Cb -0.16 -3.73 -0.04 0.00 0.51 0.00 0.00 43.02 39.61 1nxj s PHE 141 CO 0.05 -0.96 0.04 0.08 0.70 0.00 0.00 175.22 175.14 1nxj s VAL 142 N 3.45 4.58 0.22 -0.44 1.01 -1.26 -2.15 120.40 125.81 1nxj s VAL 142 Ca 0.34 -0.11 -0.32 0.00 0.00 0.00 0.00 61.98 61.89 1nxj s VAL 142 Cb -0.12 -3.05 -0.14 0.00 0.00 0.00 0.00 36.38 33.07 1nxj s VAL 142 CO 0.22 0.47 1.37 -2.65 0.00 0.00 0.00 175.10 174.51 1nxj n PRO 143 N 3.55 1.87 0.00 2.72 -0.02 -1.26 -0.95 135.00 140.91 1nxj n PRO 143 Ca -0.17 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1nxj n PRO 143 Cb 0.52 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 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 2.17 3.01 3.63 -1.23 0.00 -0.47 -4.97 105.19 107.32 1nxj n GLY 144 Ca 0.12 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 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 0.52 2.40 -0.13 1.61 1.11 -0.12 -4.51 116.67 117.55 1nxj s ASP 145 Ca 0.00 1.58 -0.04 0.00 0.18 0.00 0.00 52.55 54.26 1nxj s ASP 145 Cb 0.00 -2.24 -0.04 0.00 1.07 0.00 0.00 42.92 41.71 1nxj s ASP 145 CO 0.00 -3.33 0.03 -0.63 1.18 0.00 0.00 175.17 172.42 1nxj s ILE 146 N -2.73 4.54 -0.10 0.77 -1.09 -1.26 -0.40 121.20 120.92 1nxj s ILE 146 Ca 0.66 -0.14 0.01 0.00 -2.23 0.00 0.00 60.65 58.94 1nxj s ILE 146 Cb -0.21 -2.97 -0.02 0.00 -1.58 0.00 0.00 42.46 37.68 1nxj s ILE 146 CO 0.60 0.55 -0.12 0.00 -1.23 0.00 0.00 174.94 174.73 1nxj s ALA 147 N -0.32 2.70 -0.09 9.38 0.00 -0.57 0.14 121.76 133.00 1nxj s ALA 147 Ca 0.08 -0.91 0.05 0.00 0.00 0.00 0.00 51.96 51.17 1nxj s ALA 147 Cb -0.12 -1.17 -0.00 0.00 0.00 0.00 0.00 23.12 21.83 1nxj s ALA 147 CO 0.02 0.37 -0.24 0.71 0.00 0.00 0.00 175.76 176.62 1nxj s TYR 148 N -0.09 2.49 -0.01 0.00 1.51 0.15 -1.45 117.35 119.95 1nxj s TYR 148 Ca -0.01 -0.94 0.01 0.00 -1.01 0.00 0.00 57.07 55.11 1nxj s TYR 148 Cb -0.14 -1.66 0.01 0.00 -0.11 0.00 0.00 41.96 40.06 1nxj s TYR 148 CO 0.03 -0.36 -0.02 0.45 -1.11 0.00 0.00 175.55 174.55 1nxj s SER 149 N 0.20 0.35 0.00 2.29 0.15 0.46 -0.88 113.70 116.27 1nxj s SER 149 Ca -0.14 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.47 1nxj s SER 149 Cb -0.17 -0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.04 1nxj s SER 149 CO 0.07 -0.01 0.00 -0.90 1.20 0.00 0.00 173.24 173.60 1nxj n ASP 150 N 3.40 0.00 0.09 5.45 5.68 -0.83 -1.54 116.55 128.80 1nxj n ASP 150 Ca -0.18 -0.76 0.07 0.00 -0.50 0.00 0.00 54.79 53.42 1nxj n ASP 150 Cb 0.56 0.00 0.37 0.00 -1.14 0.00 0.00 41.12 40.91 1nxj n ASP 150 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1nxj n ASP 151 N -1.30 0.35 -0.03 -1.12 8.00 -1.26 -2.69 116.55 118.51 1nxj n ASP 151 Ca 0.00 0.64 -0.16 0.00 0.71 0.00 0.00 54.79 55.98 1nxj n ASP 151 Cb 0.00 -0.69 -0.14 0.00 -0.02 0.00 0.00 41.12 40.27 1nxj n ASP 151 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1nxj n ASP 152 N -1.95 1.59 0.00 -2.24 8.00 -1.26 -5.09 116.55 115.61 1nxj n ASP 152 Ca 0.00 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.71 1nxj n ASP 152 Cb 0.07 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 1nxj n ASP 152 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nxj n GLY 153 N 1.89 -0.63 2.82 0.44 0.00 -1.09 -5.09 105.19 103.52 1nxj n GLY 153 Ca -0.30 -0.52 -0.16 0.00 0.00 0.00 0.00 46.02 45.04 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 0.13 -0.04 -0.61 1.01 -1.26 -1.97 121.20 114.46 1nxj s ILE 154 Ca 0.00 0.09 0.05 0.00 0.00 0.00 0.00 60.65 60.79 1nxj s ILE 154 Cb 0.00 -0.22 -0.02 0.00 0.01 0.00 0.00 42.46 42.22 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 0.91 2.54 -0.19 2.92 -1.09 -0.06 -1.15 121.20 125.08 1nxj s ILE 155 Ca -0.09 -0.91 -0.01 0.00 -2.23 0.00 0.00 60.65 57.41 1nxj s ILE 155 Cb -0.12 -1.95 0.00 0.00 -1.58 0.00 0.00 42.46 38.81 1nxj s ILE 155 CO -0.02 0.58 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.46 1nxj s VAL 156 N -0.56 2.72 0.00 2.92 1.01 -0.77 -0.67 120.40 125.05 1nxj s VAL 156 Ca 0.08 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1nxj s VAL 156 Cb -0.11 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 34.08 1nxj s VAL 156 CO 0.01 0.49 0.00 0.52 0.00 0.00 0.00 175.10 176.12