#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nux s GLU 2 N 0.00 4.44 -0.39 2.12 2.56 -0.55 -4.93 118.70 121.95 2nux s GLU 2 Ca 0.00 0.88 -0.08 0.00 0.00 0.00 0.00 54.97 55.77 2nux s GLU 2 Cb 0.00 -3.45 0.07 0.00 2.00 0.00 0.00 34.13 32.75 2nux s GLU 2 CO 0.00 0.07 0.20 0.42 -0.56 0.00 0.00 175.26 175.38 2nux s ILE 3 N 0.79 3.98 -0.10 -3.70 1.01 -1.26 -1.28 121.20 120.64 2nux s ILE 3 Ca 0.37 -1.36 -0.03 0.00 0.00 0.00 0.00 60.65 59.64 2nux s ILE 3 Cb -0.18 -3.40 -0.03 0.00 0.01 0.00 0.00 42.46 38.86 2nux s ILE 3 CO 0.18 -0.40 0.01 -0.63 0.00 0.00 0.00 174.94 174.09 2nux s ILE 4 N 1.39 4.34 -0.25 2.92 1.01 0.01 -0.71 121.20 129.91 2nux s ILE 4 Ca 0.02 -0.23 -0.05 0.00 0.00 0.00 0.00 60.65 60.39 2nux s ILE 4 Cb -0.22 -2.84 -0.01 0.00 0.01 0.00 0.00 42.46 39.40 2nux s ILE 4 CO 0.02 0.58 0.01 -0.55 0.00 0.00 0.00 174.94 175.00 2nux s SER 5 N -0.67 4.70 -1.06 3.58 0.15 -0.62 -2.69 113.70 117.10 2nux s SER 5 Ca 0.11 -0.44 -0.23 0.00 0.70 0.00 0.00 55.95 56.09 2nux s SER 5 Cb -0.12 -1.81 0.00 0.00 -1.71 0.00 0.00 66.02 62.38 2nux s SER 5 CO 0.02 -0.07 1.72 -2.16 1.20 0.00 0.00 173.24 173.95 2nux s PRO 6 N 1.51 3.19 0.33 5.44 0.04 -1.26 -0.89 135.00 143.36 2nux s PRO 6 Ca 0.05 -1.03 -0.29 0.00 0.04 0.00 0.00 61.00 59.77 2nux s PRO 6 Cb -0.15 -5.29 -0.11 0.00 0.04 0.00 0.00 34.50 28.99 2nux s PRO 6 CO -0.00 -2.82 1.55 1.51 0.04 0.00 0.00 177.00 177.28 2nux n ILE 7 N 7.23 1.44 -1.66 0.56 3.06 -1.09 -4.42 119.36 124.48 2nux n ILE 7 Ca 0.40 -0.36 -0.32 0.00 -2.50 0.00 0.00 62.75 59.97 2nux n ILE 7 Cb 0.48 -1.98 0.05 0.00 0.54 0.00 0.00 39.64 38.74 2nux n ILE 7 CO 0.00 0.00 0.00 0.27 -2.50 0.00 0.00 176.55 174.32 2nux s ILE 8 N -0.48 3.57 -0.35 9.51 -4.36 -1.26 -3.22 121.20 124.61 2nux s ILE 8 Ca 0.59 0.63 -0.10 0.00 -0.26 0.00 0.00 60.65 61.51 2nux s ILE 8 Cb -0.48 -3.19 0.02 0.00 1.25 0.00 0.00 42.46 40.06 2nux s ILE 8 CO 0.55 -0.56 0.18 -0.89 0.24 0.00 0.00 174.94 174.47 2nux s THR 9 N -2.67 4.52 0.17 8.37 2.01 -1.26 -4.88 115.64 121.91 2nux s THR 9 Ca 0.63 -0.75 -0.30 0.00 0.31 0.00 0.00 61.69 61.57 2nux s THR 9 Cb -0.17 -3.47 -0.08 0.00 0.01 0.00 0.00 72.50 68.79 2nux s THR 9 CO 0.47 -0.14 1.34 -2.84 -0.69 0.00 0.00 174.62 172.75 2nux s PRO 10 N 1.56 4.36 0.14 4.92 0.02 -1.26 -4.83 135.00 139.91 2nux s PRO 10 Ca 0.03 2.06 0.11 0.00 0.02 0.00 0.00 61.00 63.22 2nux s PRO 10 Cb -0.19 -3.21 -0.04 0.00 0.02 0.00 0.00 34.50 31.08 2nux s PRO 10 CO 0.06 -0.32 -0.26 -0.06 -0.33 0.00 0.00 177.00 176.09 2nux s PHE 11 N 0.44 2.32 0.80 6.54 0.08 -0.90 -0.62 117.98 126.64 2nux s PHE 11 Ca 0.59 -0.37 -0.04 0.00 0.12 0.00 0.00 56.93 57.23 2nux s PHE 11 Cb -0.37 -1.23 0.17 0.00 -0.57 0.00 0.00 43.02 41.02 2nux s PHE 11 CO 0.36 0.37 1.10 -0.40 -0.10 0.00 0.00 175.22 176.54 2nux n ASP 12 N 0.80 1.13 0.28 1.36 5.68 0.12 -1.38 116.55 124.54 2nux n ASP 12 Ca -0.17 -2.03 0.17 0.00 -0.50 0.00 0.00 54.79 52.26 2nux n ASP 12 Cb 0.53 -0.74 0.94 0.00 -1.14 0.00 0.00 41.12 40.71 2nux n ASP 12 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 2nux h LYS 13 N 0.00 0.00 -0.26 0.11 1.63 -1.95 -0.11 116.57 115.99 2nux h LYS 13 Ca -0.36 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.44 2nux h LYS 13 Cb 1.25 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 2nux h LYS 13 CO 0.35 0.00 0.00 1.04 -3.45 0.00 0.00 179.45 177.39 2nux n GLN 14 N -3.67 1.94 -1.40 1.90 3.00 -1.26 -4.94 117.38 112.96 2nux n GLN 14 Ca -0.02 -1.43 -0.03 0.00 -0.01 0.00 0.00 57.00 55.52 2nux n GLN 14 Cb 0.16 -1.41 -0.01 0.00 0.00 0.00 0.00 30.24 28.99 2nux n GLN 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2nux n GLY 15 N 1.22 0.48 3.83 1.08 0.00 -0.05 -5.04 105.19 106.72 2nux n GLY 15 Ca 0.16 -0.90 -0.37 0.00 0.00 0.00 0.00 46.02 44.92 2nux n GLY 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2nux s LYS 16 N -2.85 3.69 0.26 1.61 2.20 -1.26 -4.82 119.74 118.57 2nux s LYS 16 Ca 0.00 -0.10 -0.30 0.00 -0.36 0.00 0.00 55.97 55.21 2nux s LYS 16 Cb 0.00 -3.26 -0.10 0.00 -1.51 0.00 0.00 37.83 32.96 2nux s LYS 16 CO 0.00 0.63 1.41 0.08 -0.36 0.00 0.00 175.35 177.11 2nux s VAL 17 N -0.63 2.70 -0.64 4.02 1.01 -1.26 -0.70 120.40 124.90 2nux s VAL 17 Ca 0.14 0.60 -0.12 0.00 0.00 0.00 0.00 61.98 62.60 2nux s VAL 17 Cb -0.12 -3.38 0.16 0.00 0.00 0.00 0.00 36.38 33.04 2nux s VAL 17 CO 0.03 0.10 0.55 0.21 0.00 0.00 0.00 175.10 175.99 2nux s ASN 18 N 0.22 6.14 0.51 3.32 3.84 0.21 -4.86 114.94 124.32 2nux s ASN 18 Ca 0.57 -2.29 0.26 0.00 0.21 0.00 0.00 52.86 51.62 2nux s ASN 18 Cb -0.41 -2.11 1.37 0.00 -0.55 0.00 0.00 41.25 39.55 2nux s ASN 18 CO 0.45 -0.65 2.05 -0.37 -2.79 0.00 0.00 177.10 175.78 2nux h VAL 19 N 5.47 0.62 -0.34 -5.21 -1.51 -1.93 -2.39 116.25 110.95 2nux h VAL 19 Ca -0.09 -0.59 -0.15 0.00 -1.23 0.00 0.00 66.70 64.63 2nux h VAL 19 Cb 1.05 1.38 -0.00 0.00 -2.13 0.00 0.00 31.29 31.59 2nux h VAL 19 CO 0.85 0.13 -0.37 0.44 -1.23 0.00 0.00 177.57 177.39 2nux h ASP 20 N 0.00 0.92 0.01 4.19 3.32 -1.97 -1.36 116.42 121.53 2nux h ASP 20 Ca -0.00 -0.48 -0.12 0.00 0.02 0.00 0.00 57.03 56.45 2nux h ASP 20 Cb 0.37 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2nux h ASP 20 CO 0.02 1.21 -0.39 0.00 -1.72 0.00 0.00 179.24 178.36 2nux h ALA 21 N 0.74 0.93 -0.50 3.45 0.00 -1.86 -1.29 119.26 120.73 2nux h ALA 21 Ca 0.05 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2nux h ALA 21 Cb 0.96 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2nux h ALA 21 CO 0.09 0.63 0.29 1.25 0.00 0.00 0.00 179.25 181.51 2nux h LEU 22 N 0.41 0.60 -0.31 0.00 5.85 -1.29 0.18 115.31 120.76 2nux h LEU 22 Ca 0.04 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 2nux h LEU 22 Cb 0.86 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 2nux h LEU 22 CO 0.07 0.50 -0.12 0.11 -0.34 0.00 0.00 178.44 178.66 2nux h LYS 23 N 0.66 0.62 -0.05 1.25 1.57 -1.04 -0.56 116.57 119.02 2nux h LYS 23 Ca 0.18 -0.26 0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2nux h LYS 23 Cb 0.01 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 2nux h LYS 23 CO -0.03 0.83 -0.07 1.15 -0.57 0.00 0.00 179.45 180.75 2nux h THR 24 N 0.38 0.80 -0.34 -0.16 2.02 -1.04 -1.72 112.91 112.85 2nux h THR 24 Ca 0.07 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.28 2nux h THR 24 Cb 0.63 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 2nux h THR 24 CO 0.04 0.00 0.16 -0.74 0.37 0.00 0.00 175.52 175.35 2nux h HIS 25 N -0.10 0.29 -0.24 3.16 -0.00 -0.91 -2.65 115.15 114.70 2nux h HIS 25 Ca 0.05 0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.45 2nux h HIS 25 Cb 0.17 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 27.47 2nux h HIS 25 CO -0.16 0.15 0.10 0.00 -0.00 0.00 0.00 177.93 178.02 2nux h ALA 26 N 1.18 0.28 -0.50 5.26 0.00 -0.83 -2.21 119.26 122.44 2nux h ALA 26 Ca 0.14 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.16 2nux h ALA 26 Cb 0.07 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 2nux h ALA 26 CO -0.11 -0.31 0.10 0.87 0.00 0.00 0.00 179.25 179.80 2nux h LYS 27 N 0.22 0.23 -0.83 0.00 1.57 -1.13 -1.37 116.57 115.25 2nux h LYS 27 Ca 0.10 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2nux h LYS 27 Cb 0.06 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 2nux h LYS 27 CO -0.09 0.15 0.55 -0.97 -0.57 0.00 0.00 179.45 178.51 2nux h ASN 28 N 0.24 0.94 -0.31 0.86 -1.24 -1.18 0.63 115.58 115.52 2nux h ASN 28 Ca 0.25 -0.02 -0.05 0.00 0.71 0.00 0.00 56.30 57.19 2nux h ASN 28 Cb 0.34 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.15 2nux h ASN 28 CO -0.33 0.68 -0.01 -0.07 -1.29 0.00 0.00 177.43 176.41 2nux h LEU 29 N 1.11 0.54 -0.19 0.34 3.38 -0.81 -0.96 115.31 118.73 2nux h LEU 29 Ca 0.30 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2nux h LEU 29 Cb -0.12 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 2nux h LEU 29 CO -0.07 0.73 0.12 -0.07 0.09 0.00 0.00 178.44 179.24 2nux h LEU 30 N 0.34 0.22 -1.71 1.67 3.38 -1.04 -1.29 115.31 116.89 2nux h LEU 30 Ca 0.09 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.08 2nux h LEU 30 Cb 0.46 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2nux h LEU 30 CO 0.02 0.19 0.30 -0.08 0.09 0.00 0.00 178.44 178.96 2nux h GLU 31 N 0.23 0.35 -0.29 1.13 4.81 -0.74 -1.60 114.58 118.48 2nux h GLU 31 Ca 0.07 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2nux h GLU 31 Cb 0.00 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.31 2nux h GLU 31 CO -0.01 0.23 0.00 1.63 -0.73 0.00 0.00 179.01 180.13 2nux n LYS 32 N -4.47 1.81 0.00 1.92 5.02 -0.38 -4.91 118.16 117.14 2nux n LYS 32 Ca 0.06 -1.24 0.00 0.00 -2.02 0.00 0.00 58.31 55.11 2nux n LYS 32 Cb 0.25 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 2nux n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2nux n GLY 33 N 1.11 0.78 3.70 0.72 0.00 -0.60 -4.34 105.19 106.55 2nux n GLY 33 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2nux n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nux s ILE 34 N -2.00 3.73 0.05 -0.61 -1.09 -0.54 -4.86 121.20 115.88 2nux s ILE 34 Ca 0.00 1.19 0.09 0.00 -2.23 0.00 0.00 60.65 59.71 2nux s ILE 34 Cb 0.00 -3.77 -0.18 0.00 -1.58 0.00 0.00 42.46 36.94 2nux s ILE 34 CO 0.00 0.05 1.18 0.44 -1.23 0.00 0.00 174.94 175.39 2nux h ASP 35 N 7.19 0.00 -5.03 3.58 3.32 -1.25 -3.39 116.42 120.83 2nux h ASP 35 Ca -0.40 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 2nux h ASP 35 Cb 1.20 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.64 2nux h ASP 35 CO 0.86 0.93 0.14 0.00 -1.72 0.00 0.00 179.24 179.44 2nux s ALA 36 N -2.73 -1.28 -0.14 3.45 0.00 -1.21 -4.92 121.76 114.93 2nux s ALA 36 Ca 0.00 0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.09 2nux s ALA 36 Cb 0.09 0.85 0.01 0.00 0.00 0.00 0.00 23.12 24.08 2nux s ALA 36 CO 0.81 -0.82 -0.21 0.42 0.00 0.00 0.00 175.76 175.96 2nux s ILE 37 N -3.82 2.00 -0.35 0.00 1.01 -0.29 -1.58 121.20 118.17 2nux s ILE 37 Ca 0.05 -0.94 -0.20 0.00 0.00 0.00 0.00 60.65 59.56 2nux s ILE 37 Cb -0.02 -1.77 0.00 0.00 0.01 0.00 0.00 42.46 40.68 2nux s ILE 37 CO -0.07 0.54 0.61 0.12 0.00 0.00 0.00 174.94 176.14 2nux s PHE 38 N 0.84 3.16 -0.13 3.97 2.19 -0.07 -1.18 117.98 126.76 2nux s PHE 38 Ca -0.07 0.31 -0.12 0.00 0.33 0.00 0.00 56.93 57.38 2nux s PHE 38 Cb -0.15 -3.09 -0.05 0.00 -1.31 0.00 0.00 43.02 38.42 2nux s PHE 38 CO -0.02 -0.61 0.27 0.08 1.83 0.00 0.00 175.22 176.77 2nux s VAL 39 N 2.64 5.31 -1.10 3.12 1.01 0.66 -2.66 120.40 129.38 2nux s VAL 39 Ca 0.23 0.50 -0.01 0.00 0.00 0.00 0.00 61.98 62.70 2nux s VAL 39 Cb -0.15 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2nux s VAL 39 CO 0.14 0.46 0.17 0.59 0.00 0.00 0.00 175.10 176.47 2nux n ASN 40 N 3.03 -4.36 -2.08 3.32 3.02 -1.26 -1.37 115.26 115.57 2nux n ASN 40 Ca -0.14 -0.09 -0.01 0.00 -0.03 0.00 0.00 54.58 54.31 2nux n ASN 40 Cb 0.52 -3.40 0.01 0.00 -0.61 0.00 0.00 39.78 36.30 2nux n ASN 40 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2nux n GLY 41 N -1.12 -0.85 0.22 7.41 0.00 -1.26 -3.75 105.19 105.84 2nux n GLY 41 Ca -0.12 -1.72 -0.04 0.00 0.00 0.00 0.00 46.02 44.14 2nux n GLY 41 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2nux h THR 42 N -0.93 1.02 0.00 2.61 2.02 -1.95 -0.34 112.91 115.34 2nux h THR 42 Ca -0.02 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 2nux h THR 42 Cb 0.05 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 66.80 2nux h THR 42 CO 0.01 0.11 -0.14 0.74 0.37 0.00 0.00 175.52 176.62 2nux h THR 43 N 0.62 0.86 -0.40 3.16 2.02 -1.88 -0.85 112.91 116.44 2nux h THR 43 Ca 0.23 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.89 2nux h THR 43 Cb 0.07 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 2nux h THR 43 CO -0.12 0.14 0.00 0.61 0.37 0.00 0.00 175.52 176.52 2nux n GLY 44 N -0.93 2.24 3.05 2.16 0.00 -0.74 -4.31 105.19 106.66 2nux n GLY 44 Ca -0.02 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.18 2nux n GLY 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2nux n LEU 45 N 0.52 -2.48 -0.16 0.99 4.32 -0.32 -4.23 117.00 115.63 2nux n LEU 45 Ca 0.18 -0.29 -0.04 0.00 -0.02 0.00 0.00 56.01 55.84 2nux n LEU 45 Cb 0.78 -2.84 -0.04 0.00 -1.62 0.00 0.00 43.42 39.70 2nux n LEU 45 CO 0.19 0.21 0.44 0.61 -1.22 0.00 0.00 177.39 177.62 2nux n GLY 46 N -1.45 -2.58 0.18 -0.72 0.00 -0.21 -0.59 105.19 99.82 2nux n GLY 46 Ca -0.10 0.74 0.13 0.00 0.00 0.00 0.00 46.02 46.79 2nux n GLY 46 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2nux h PRO 47 N 0.00 0.00 0.00 1.61 0.11 -1.84 -1.34 132.00 130.53 2nux h PRO 47 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2nux h PRO 47 Cb 0.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.26 2nux h PRO 47 CO -0.35 0.00 -0.63 0.00 -0.21 0.00 0.00 178.00 176.81 2nux h ALA 48 N 2.06 0.66 -2.67 -0.75 0.00 -1.23 -3.46 119.26 113.87 2nux h ALA 48 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 2nux h ALA 48 Cb 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2nux h ALA 48 CO 0.00 0.00 0.14 -0.51 0.00 0.00 0.00 179.25 178.88 2nux s LEU 49 N -5.33 4.44 0.99 0.00 1.43 -0.51 -5.07 118.68 114.63 2nux s LEU 49 Ca 0.03 1.40 -0.12 0.00 -1.03 0.00 0.00 54.13 54.41 2nux s LEU 49 Cb 0.09 -3.19 0.18 0.00 0.03 0.00 0.00 46.19 43.31 2nux s LEU 49 CO 0.74 0.02 1.09 -0.94 0.23 0.00 0.00 176.35 177.49 2nux s SER 50 N -0.02 2.72 0.31 2.29 1.04 -1.26 -4.76 113.70 114.02 2nux s SER 50 Ca 0.38 1.26 -0.00 0.00 0.48 0.00 0.00 55.95 58.06 2nux s SER 50 Cb -0.20 -1.93 0.49 0.00 0.10 0.00 0.00 66.02 64.48 2nux s SER 50 CO 0.22 -3.08 1.92 0.07 0.98 0.00 0.00 173.24 173.35 2nux h LYS 51 N -1.86 0.89 -0.50 4.02 2.10 -1.96 -1.45 116.57 117.81 2nux h LYS 51 Ca -0.54 -0.11 -0.08 0.00 -2.00 0.00 0.00 60.65 57.92 2nux h LYS 51 Cb 1.32 -0.17 -0.02 0.00 -0.90 0.00 0.00 32.23 32.46 2nux h LYS 51 CO 0.57 0.68 -0.03 -0.44 -2.00 0.00 0.00 179.45 178.23 2nux h ASP 52 N 0.89 0.84 -0.60 7.07 3.32 -1.99 -1.73 116.42 124.22 2nux h ASP 52 Ca 0.22 -0.22 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 2nux h ASP 52 Cb 0.07 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 2nux h ASP 52 CO -0.03 0.92 0.08 -0.33 -1.72 0.00 0.00 179.24 178.15 2nux h GLU 53 N 0.79 1.00 -0.46 3.56 5.08 -1.71 -0.05 114.58 122.81 2nux h GLU 53 Ca 0.15 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2nux h GLU 53 Cb 0.51 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2nux h GLU 53 CO 0.03 0.95 0.30 0.87 -1.00 0.00 0.00 179.01 180.16 2nux h LYS 54 N 0.91 0.60 -0.51 2.33 1.57 -1.01 -0.62 116.57 119.84 2nux h LYS 54 Ca 0.18 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 2nux h LYS 54 Cb 0.45 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 2nux h LYS 54 CO 0.02 0.40 0.22 -0.09 -0.57 0.00 0.00 179.45 179.43 2nux h ARG 55 N 0.62 0.75 -0.11 3.15 2.43 -1.11 -2.70 114.38 117.41 2nux h ARG 55 Ca 0.17 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 2nux h ARG 55 Cb -0.07 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 2nux h ARG 55 CO -0.04 0.65 -0.18 1.96 -1.51 0.00 0.00 179.97 180.85 2nux h GLN 56 N 0.68 0.18 -0.60 0.20 1.08 -0.59 -1.17 115.11 114.88 2nux h GLN 56 Ca 0.17 -0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 57.24 2nux h GLN 56 Cb 0.17 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 2nux h GLN 56 CO -0.02 0.36 0.03 -0.91 -0.95 0.00 0.00 178.83 177.34 2nux h ASN 57 N 0.17 1.01 -0.32 1.46 2.35 -0.88 -1.99 115.58 117.37 2nux h ASN 57 Ca 0.03 -0.29 -0.14 0.00 -0.55 0.00 0.00 56.30 55.35 2nux h ASN 57 Cb 0.42 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 2nux h ASN 57 CO 0.03 1.05 -0.35 0.25 -1.65 0.00 0.00 177.43 176.76 2nux h LEU 58 N 0.93 0.86 -0.47 1.61 5.85 -1.12 -1.97 115.31 121.01 2nux h LEU 58 Ca 0.17 -0.48 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 2nux h LEU 58 Cb 0.52 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2nux h LEU 58 CO 0.03 1.17 0.27 0.78 -0.34 0.00 0.00 178.44 180.34 2nux h ASN 59 N 0.58 0.57 -0.38 1.25 2.35 -1.16 0.06 115.58 118.84 2nux h ASN 59 Ca 0.05 -0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 2nux h ASN 59 Cb 0.94 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.15 2nux h ASN 59 CO 0.09 0.47 0.08 0.00 -1.65 0.00 0.00 177.43 176.42 2nux h ALA 60 N 1.12 0.50 -0.08 -0.83 0.00 -1.32 -2.92 119.26 115.73 2nux h ALA 60 Ca 0.17 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2nux h ALA 60 Cb 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2nux h ALA 60 CO -0.03 0.19 -0.40 -0.07 0.00 0.00 0.00 179.25 178.94 2nux h LEU 61 N 0.47 0.17 -2.59 0.00 3.38 -1.23 -2.89 115.31 112.61 2nux h LEU 61 Ca 0.12 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2nux h LEU 61 Cb 0.33 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2nux h LEU 61 CO 0.00 0.56 0.00 0.22 0.09 0.00 0.00 178.44 179.31 2nux h TYR 62 N 0.14 0.00 0.00 1.13 5.03 -0.78 0.13 116.97 122.62 2nux h TYR 62 Ca 0.01 0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.22 2nux h TYR 62 Cb 0.77 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.04 2nux h TYR 62 CO 0.01 0.00 -0.49 -0.44 -1.32 0.00 0.00 178.16 175.92 2nux h ASP 63 N 0.00 0.00 0.00 -2.11 3.32 -1.55 -3.38 116.42 112.70 2nux h ASP 63 Ca 0.00 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.84 2nux h ASP 63 Cb 0.01 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2nux h ASP 63 CO 0.00 0.49 -1.20 0.52 -1.72 0.00 0.00 179.24 177.33 2nux n VAL 64 N -3.34 1.52 -3.75 -1.35 0.31 0.35 -5.03 118.33 107.03 2nux n VAL 64 Ca 0.01 -0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.23 2nux n VAL 64 Cb 0.66 -2.08 -0.07 0.00 -0.91 0.00 0.00 33.84 31.45 2nux n VAL 64 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2nux s THR 65 N -2.35 0.09 -2.15 2.52 -1.32 -0.65 -5.02 115.64 106.77 2nux s THR 65 Ca -0.27 -0.77 0.24 0.00 -1.21 0.00 0.00 61.69 59.68 2nux s THR 65 Cb 0.06 -1.06 0.13 0.00 -1.51 0.00 0.00 72.50 70.12 2nux s THR 65 CO 0.55 -0.42 1.28 1.41 -2.21 0.00 0.00 174.62 175.23 2nux n HIS 66 N 0.30 0.00 -1.51 9.09 -0.00 -1.26 -4.05 115.22 117.79 2nux n HIS 66 Ca -0.17 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.14 2nux n HIS 66 Cb 0.61 -0.03 -0.02 0.00 -0.00 0.00 0.00 29.99 30.55 2nux n HIS 66 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2nux n LYS 67 N 0.05 3.24 -5.24 -0.41 4.76 -1.26 -3.13 118.16 116.16 2nux n LYS 67 Ca 0.11 -2.38 -0.31 0.00 -2.87 0.00 0.00 58.31 52.86 2nux n LYS 67 Cb 0.45 -3.04 -0.16 0.00 -1.84 0.00 0.00 35.03 30.44 2nux n LYS 67 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2nux s LEU 68 N 1.17 2.06 -0.26 -0.35 1.43 -1.26 -1.13 118.68 120.34 2nux s LEU 68 Ca 0.58 -0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 53.12 2nux s LEU 68 Cb 0.16 -1.36 -0.00 0.00 0.03 0.00 0.00 46.19 45.02 2nux s LEU 68 CO -0.07 0.23 0.04 -0.63 0.23 0.00 0.00 176.35 176.15 2nux s ILE 69 N -0.10 3.80 -0.47 -0.59 1.01 -0.33 -1.15 121.20 123.37 2nux s ILE 69 Ca -0.05 -0.56 -0.17 0.00 0.00 0.00 0.00 60.65 59.87 2nux s ILE 69 Cb -0.14 -2.86 0.05 0.00 0.01 0.00 0.00 42.46 39.52 2nux s ILE 69 CO 0.04 0.23 0.50 0.12 0.00 0.00 0.00 174.94 175.83 2nux s PHE 70 N 1.51 3.15 -0.15 3.97 5.99 -0.48 -0.25 117.98 131.72 2nux s PHE 70 Ca 0.04 -0.64 -0.24 0.00 0.00 0.00 0.00 56.93 56.09 2nux s PHE 70 Cb -0.16 -3.25 -0.02 0.00 0.00 0.00 0.00 43.02 39.59 2nux s PHE 70 CO 0.01 -0.87 0.77 -1.14 -0.00 0.00 0.00 175.22 173.99 2nux s GLN 71 N 2.16 4.32 -0.03 10.12 -0.44 -0.47 -0.49 119.66 134.83 2nux s GLN 71 Ca 0.10 0.92 0.05 0.00 -2.50 0.00 0.00 55.36 53.93 2nux s GLN 71 Cb -0.20 -3.55 0.07 0.00 -1.64 0.00 0.00 33.01 27.69 2nux s GLN 71 CO 0.10 -0.22 1.02 1.33 0.50 0.00 0.00 175.29 178.02 2nux n VAL 72 N 4.51 1.18 -1.84 1.34 0.24 -0.15 -4.70 118.33 118.90 2nux n VAL 72 Ca 0.02 -1.28 -0.41 0.00 -2.04 0.00 0.00 64.34 60.64 2nux n VAL 72 Cb 0.50 0.33 -0.00 0.00 -1.47 0.00 0.00 33.84 33.19 2nux n VAL 72 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2nux s GLY 73 N -1.44 2.95 0.19 7.63 0.00 -1.26 -4.53 107.32 110.85 2nux s GLY 73 Ca 0.08 1.52 -0.23 0.00 0.00 0.00 0.00 44.72 46.09 2nux s GLY 73 CO 0.01 2.19 0.77 -1.35 0.00 0.00 0.00 173.10 174.72 2nux s SER 74 N -0.24 -0.32 -0.15 1.64 1.04 -1.26 -4.72 113.70 109.69 2nux s SER 74 Ca 0.53 -0.36 0.03 0.00 0.48 0.00 0.00 55.95 56.63 2nux s SER 74 Cb -0.45 0.61 0.28 0.00 0.10 0.00 0.00 66.02 66.56 2nux s SER 74 CO 0.61 -1.08 1.23 0.18 0.98 0.00 0.00 173.24 175.16 2nux n LEU 75 N -0.42 3.90 -3.54 2.42 4.77 -1.26 -4.55 117.00 118.33 2nux n LEU 75 Ca -0.08 -2.02 -0.26 0.00 -0.03 0.00 0.00 56.01 53.63 2nux n LEU 75 Cb 0.61 -0.61 -0.15 0.00 -2.33 0.00 0.00 43.42 40.94 2nux n LEU 75 CO 0.14 0.60 -0.30 0.21 -1.33 0.00 0.00 177.39 176.71 2nux s ASN 76 N -0.04 2.82 0.62 -1.43 3.84 -1.26 -5.03 114.94 114.46 2nux s ASN 76 Ca 0.22 -0.96 0.33 0.00 0.21 0.00 0.00 52.86 52.66 2nux s ASN 76 Cb 0.18 -0.15 1.88 0.00 -0.55 0.00 0.00 41.25 42.61 2nux s ASN 76 CO 0.05 -0.40 2.18 0.25 -2.79 0.00 0.00 177.10 176.38 2nux h LEU 77 N 8.39 0.00 -0.15 3.21 5.85 -2.00 -1.16 115.31 129.46 2nux h LEU 77 Ca -0.18 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 2nux h LEU 77 Cb 1.07 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 2nux h LEU 77 CO 0.38 0.00 0.05 0.78 -0.34 0.00 0.00 178.44 179.30 2nux h ASN 78 N 0.00 0.21 -0.36 1.25 2.35 -1.96 -0.21 115.58 116.86 2nux h ASN 78 Ca 0.04 -0.19 -0.05 0.00 -0.55 0.00 0.00 56.30 55.54 2nux h ASN 78 Cb 0.30 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 2nux h ASN 78 CO -0.00 0.34 0.06 0.44 -1.65 0.00 0.00 177.43 176.62 2nux h ASP 79 N 0.06 0.64 -0.19 5.81 3.32 -1.65 -0.91 116.42 123.50 2nux h ASP 79 Ca 0.05 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 2nux h ASP 79 Cb 0.21 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2nux h ASP 79 CO -0.00 0.68 0.08 0.58 -1.72 0.00 0.00 179.24 178.86 2nux h VAL 80 N 0.66 1.15 -0.88 -1.35 2.07 -1.22 -2.42 116.25 114.26 2nux h VAL 80 Ca 0.14 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.22 2nux h VAL 80 Cb 0.33 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 2nux h VAL 80 CO 0.01 0.15 0.58 0.24 0.02 0.00 0.00 177.57 178.56 2nux h MET 81 N 0.16 1.14 0.02 1.57 2.86 -0.61 -1.86 114.93 118.20 2nux h MET 81 Ca 0.06 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2nux h MET 81 Cb 0.16 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 31.56 2nux h MET 81 CO -0.01 0.75 -0.01 1.49 1.06 0.00 0.00 176.91 180.20 2nux h GLU 82 N 1.17 -0.02 -0.91 1.72 4.81 -0.98 -0.48 114.58 119.89 2nux h GLU 82 Ca 0.33 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.55 2nux h GLU 82 Cb -0.11 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.23 2nux h GLU 82 CO -0.08 0.01 0.52 -0.07 -0.73 0.00 0.00 179.01 178.66 2nux h LEU 83 N -0.04 1.12 -0.19 1.64 3.38 -1.10 -1.61 115.31 118.50 2nux h LEU 83 Ca -0.00 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2nux h LEU 83 Cb 0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2nux h LEU 83 CO 0.00 0.88 0.11 0.58 0.09 0.00 0.00 178.44 180.10 2nux h VAL 84 N 1.27 1.10 -0.66 1.22 2.07 -1.01 0.86 116.25 121.09 2nux h VAL 84 Ca 0.32 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.62 2nux h VAL 84 Cb -0.01 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 2nux h VAL 84 CO -0.06 0.09 0.41 0.11 0.02 0.00 0.00 177.57 178.14 2nux h LYS 85 N 0.21 0.77 -0.58 1.57 1.57 -0.80 -0.85 116.57 118.45 2nux h LYS 85 Ca 0.07 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 2nux h LYS 85 Cb 0.05 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.15 2nux h LYS 85 CO -0.01 0.51 0.34 0.35 -0.57 0.00 0.00 179.45 180.07 2nux h PHE 86 N 0.79 0.63 0.00 -1.35 3.04 -0.95 -2.71 116.94 116.40 2nux h PHE 86 Ca 0.27 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 62.16 2nux h PHE 86 Cb 0.04 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.33 2nux h PHE 86 CO -0.05 0.35 -0.37 0.66 -2.02 0.00 0.00 178.31 176.88 2nux h SER 87 N 0.66 0.00 0.17 0.41 4.64 -0.13 -2.52 113.55 116.78 2nux h SER 87 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2nux h SER 87 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2nux h SER 87 CO -0.12 0.37 0.00 0.78 -0.87 0.00 0.00 176.83 176.99 2nux h ASN 88 N 0.00 0.00 0.34 4.97 2.35 -0.84 -0.37 115.58 122.04 2nux h ASN 88 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2nux h ASN 88 Cb 0.79 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.16 2nux h ASN 88 CO 0.05 0.00 -0.12 1.21 -1.65 0.00 0.00 177.43 176.92 2nux n GLU 89 N -2.64 0.72 -4.43 0.81 4.07 -0.95 -4.91 120.64 113.31 2nux n GLU 89 Ca -0.01 -0.27 -0.25 0.00 -0.06 0.00 0.00 57.16 56.57 2nux n GLU 89 Cb 0.09 -1.49 -0.10 0.00 -0.06 0.00 0.00 31.44 29.88 2nux n GLU 89 CO 0.00 0.00 0.00 -1.64 -0.06 0.00 0.00 177.13 175.43 2nux s MET 90 N -2.46 1.69 -1.21 5.31 -1.94 -0.15 -5.07 119.30 115.48 2nux s MET 90 Ca 0.29 -1.64 -0.12 0.00 -1.71 0.00 0.00 55.69 52.51 2nux s MET 90 Cb 0.20 -1.84 0.19 0.00 2.01 0.00 0.00 34.83 35.38 2nux s MET 90 CO 0.47 0.36 1.46 -3.47 -0.01 0.00 0.00 175.02 173.84 2nux n ASP 91 N -0.31 5.27 -4.71 3.03 2.03 -1.26 -4.99 116.55 115.61 2nux n ASP 91 Ca -0.08 -3.02 -0.30 0.00 0.52 0.00 0.00 54.79 51.92 2nux n ASP 91 Cb 0.58 -1.53 -0.09 0.00 -0.72 0.00 0.00 41.12 39.37 2nux n ASP 91 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2nux s ILE 92 N 0.94 1.64 0.19 5.18 -4.36 -1.26 -4.75 121.20 118.77 2nux s ILE 92 Ca 0.41 -1.94 -0.06 0.00 -0.26 0.00 0.00 60.65 58.80 2nux s ILE 92 Cb -0.02 -2.58 -0.01 0.00 1.25 0.00 0.00 42.46 41.10 2nux s ILE 92 CO -0.00 0.00 1.55 0.25 0.24 0.00 0.00 174.94 176.98 2nux h LEU 93 N 1.49 0.79 0.00 0.37 5.85 -1.08 -3.48 115.31 119.26 2nux h LEU 93 Ca -0.43 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 57.94 2nux h LEU 93 Cb 1.28 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.09 2nux h LEU 93 CO 0.76 1.07 0.00 0.61 -0.34 0.00 0.00 178.44 180.54 2nux n GLY 94 N 0.00 -1.92 3.38 3.75 0.00 -1.12 -4.46 105.19 104.82 2nux n GLY 94 Ca -0.02 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.56 2nux n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nux s VAL 95 N -2.26 2.22 0.08 1.61 0.11 -0.93 -1.38 120.40 119.85 2nux s VAL 95 Ca 0.00 -1.68 -0.05 0.00 -2.93 0.00 0.00 61.98 57.32 2nux s VAL 95 Cb 0.00 -1.95 -0.02 0.00 -1.53 0.00 0.00 36.38 32.88 2nux s VAL 95 CO 0.00 0.14 0.10 -0.55 -3.33 0.00 0.00 175.10 171.46 2nux s SER 96 N -1.88 0.28 -0.14 3.54 0.15 0.36 -0.84 113.70 115.17 2nux s SER 96 Ca 0.13 -0.84 -0.24 0.00 0.70 0.00 0.00 55.95 55.70 2nux s SER 96 Cb -0.10 0.29 0.06 0.00 -1.71 0.00 0.00 66.02 64.56 2nux s SER 96 CO 0.05 -0.69 0.61 -0.55 1.20 0.00 0.00 173.24 173.86 2nux s SER 97 N -2.90 -0.60 0.80 5.45 0.15 -1.16 -0.98 113.70 114.46 2nux s SER 97 Ca 0.08 0.91 -0.11 0.00 0.70 0.00 0.00 55.95 57.53 2nux s SER 97 Cb 0.06 0.88 0.09 0.00 -1.71 0.00 0.00 66.02 65.34 2nux s SER 97 CO -0.09 -0.40 1.15 -1.38 1.20 0.00 0.00 173.24 173.72 2nux s HIS 98 N -0.46 2.69 0.82 3.44 -3.43 -1.25 -1.81 115.29 115.30 2nux s HIS 98 Ca -0.06 0.56 -0.11 0.00 -0.80 0.00 0.00 55.06 54.65 2nux s HIS 98 Cb -0.03 -3.49 0.08 0.00 -1.43 0.00 0.00 32.58 27.72 2nux s HIS 98 CO 0.05 -1.80 1.10 -1.54 -2.00 0.00 0.00 174.74 170.54 2nux s SER 99 N -4.61 4.26 0.61 7.38 1.04 -1.25 -4.87 113.70 116.25 2nux s SER 99 Ca 0.63 1.36 -0.18 0.00 0.48 0.00 0.00 55.95 58.25 2nux s SER 99 Cb -0.10 -2.08 -0.07 0.00 0.10 0.00 0.00 66.02 63.87 2nux s SER 99 CO 0.48 -2.13 0.59 -2.65 0.98 0.00 0.00 173.24 170.52 2nux n PRO 100 N -3.54 0.52 -4.27 4.02 -0.02 -1.26 -4.96 135.00 125.49 2nux n PRO 100 Ca 0.07 0.21 -0.18 0.00 -2.02 0.00 0.00 63.50 61.58 2nux n PRO 100 Cb 0.56 -1.81 -0.08 0.00 -0.02 0.00 0.00 33.50 32.15 2nux n PRO 100 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 2nux s TYR 101 N -1.73 1.65 0.00 6.00 1.13 -1.26 -4.81 117.35 118.32 2nux s TYR 101 Ca 0.69 -1.61 0.00 0.00 -1.41 0.00 0.00 57.07 54.74 2nux s TYR 101 Cb -0.42 -0.68 0.00 0.00 -1.10 0.00 0.00 41.96 39.76 2nux s TYR 101 CO 0.54 -0.83 0.00 0.98 -2.51 0.00 0.00 175.55 173.72 2nux n TYR 102 N -0.56 0.00 -1.95 -3.49 4.19 -1.25 -4.89 117.16 109.20 2nux n TYR 102 Ca 0.06 0.00 -0.42 0.00 3.31 0.00 0.00 57.90 60.85 2nux n TYR 102 Cb 0.63 0.00 -0.03 0.00 0.49 0.00 0.00 39.34 40.43 2nux n TYR 102 CO 0.00 0.00 0.00 -0.06 0.91 0.00 0.00 176.86 177.71 2nux s PHE 103 N 0.00 1.86 0.46 2.98 0.08 -1.26 -4.97 117.98 117.12 2nux s PHE 103 Ca 0.00 0.10 -0.04 0.00 0.12 0.00 0.00 56.93 57.11 2nux s PHE 103 Cb 0.00 -3.97 -0.03 0.00 -0.57 0.00 0.00 43.02 38.45 2nux s PHE 103 CO 0.00 -4.11 0.73 -1.25 -0.10 0.00 0.00 175.22 170.49 2nux s PRO 104 N 4.13 3.47 -1.53 0.24 0.04 -1.26 -4.39 135.00 135.70 2nux s PRO 104 Ca 0.76 0.03 -0.03 0.00 0.04 0.00 0.00 61.00 61.80 2nux s PRO 104 Cb -0.35 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 31.75 2nux s PRO 104 CO 0.31 -0.16 0.41 0.54 0.04 0.00 0.00 177.00 178.14 2nux n ARG 105 N -2.16 -3.72 -2.80 4.56 1.74 -1.26 -4.99 116.66 108.02 2nux n ARG 105 Ca -0.00 0.89 -0.40 0.00 -0.77 0.00 0.00 57.85 57.56 2nux n ARG 105 Cb 0.56 -5.58 -0.05 0.00 -1.02 0.00 0.00 32.46 26.36 2nux n ARG 105 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2nux s LEU 106 N -6.10 4.58 0.81 0.55 1.43 -1.26 -5.02 118.68 113.67 2nux s LEU 106 Ca 0.20 1.81 -0.14 0.00 -1.03 0.00 0.00 54.13 54.97 2nux s LEU 106 Cb -0.09 -3.52 0.04 0.00 0.03 0.00 0.00 46.19 42.65 2nux s LEU 106 CO 0.25 0.09 0.83 -2.65 0.23 0.00 0.00 176.35 175.10 2nux n PRO 107 N 2.02 0.12 0.01 1.29 -0.02 -1.26 -4.90 135.00 132.26 2nux n PRO 107 Ca -0.01 0.10 -0.03 0.00 -2.02 0.00 0.00 63.50 61.53 2nux n PRO 107 Cb 0.48 -2.13 0.20 0.00 -0.02 0.00 0.00 33.50 32.03 2nux n PRO 107 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2nux h GLU 108 N -0.88 0.49 0.00 -0.52 4.81 -2.01 -2.35 114.58 114.11 2nux h GLU 108 Ca -0.45 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 58.59 2nux h GLU 108 Cb 1.31 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 2nux h GLU 108 CO 0.42 0.70 -0.03 1.57 -0.73 0.00 0.00 179.01 180.94 2nux h LYS 109 N 0.43 0.00 -0.54 1.92 2.10 -1.99 -0.93 116.57 117.56 2nux h LYS 109 Ca 0.06 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.64 2nux h LYS 109 Cb 0.66 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.97 2nux h LYS 109 CO 0.05 0.03 0.07 0.74 -2.00 0.00 0.00 179.45 178.33 2nux h PHE 110 N 0.00 0.98 -0.46 0.07 -1.00 -1.77 -0.23 116.94 114.53 2nux h PHE 110 Ca -0.00 -0.14 -0.08 0.00 2.81 0.00 0.00 57.97 60.56 2nux h PHE 110 Cb 0.08 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 39.36 2nux h PHE 110 CO 0.00 0.88 -0.02 -0.07 -1.61 0.00 0.00 178.31 177.48 2nux h LEU 111 N 0.80 0.81 -0.52 1.54 4.07 -1.25 -1.94 115.31 118.82 2nux h LEU 111 Ca 0.16 -0.32 -0.05 0.00 0.08 0.00 0.00 57.88 57.75 2nux h LEU 111 Cb 0.44 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.94 2nux h LEU 111 CO 0.01 0.94 0.13 0.00 -1.08 0.00 0.00 178.44 178.44 2nux h ALA 112 N 0.90 0.68 -0.55 1.53 0.00 -1.23 -3.01 119.26 117.58 2nux h ALA 112 Ca 0.13 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2nux h ALA 112 Cb 0.53 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2nux h ALA 112 CO 0.03 0.37 -0.03 0.87 0.00 0.00 0.00 179.25 180.49 2nux h LYS 113 N 0.72 0.98 0.02 0.00 1.57 -0.96 -1.68 116.57 117.22 2nux h LYS 113 Ca 0.16 -0.33 0.03 0.00 -1.87 0.00 0.00 60.65 58.64 2nux h LYS 113 Cb 0.32 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.50 2nux h LYS 113 CO 0.00 1.00 -0.43 -0.92 -0.57 0.00 0.00 179.45 178.53 2nux h TYR 114 N 0.86 -1.21 -0.29 -1.35 3.20 -1.30 -1.50 116.97 115.38 2nux h TYR 114 Ca 0.15 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.99 2nux h TYR 114 Cb 0.57 0.53 -0.02 0.00 1.54 0.00 0.00 36.73 39.36 2nux h TYR 114 CO 0.04 -0.51 -0.12 1.88 -1.64 0.00 0.00 178.16 177.82 2nux h TYR 115 N -0.59 0.52 -0.09 -3.82 0.05 -1.51 -2.67 116.97 108.85 2nux h TYR 115 Ca 0.04 -0.08 -0.03 0.00 0.05 0.00 0.00 58.73 58.71 2nux h TYR 115 Cb 0.66 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.25 2nux h TYR 115 CO -0.42 0.60 -0.10 1.49 -1.05 0.00 0.00 178.16 178.68 2nux h GLU 116 N 0.45 0.14 0.10 4.88 4.81 -0.92 -0.58 114.58 123.46 2nux h GLU 116 Ca 0.08 -0.02 -0.26 0.00 -0.13 0.00 0.00 59.36 59.03 2nux h GLU 116 Cb 0.48 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.85 2nux h GLU 116 CO 0.03 0.24 -1.17 1.49 -0.73 0.00 0.00 179.01 178.87 2nux h GLU 117 N 0.13 0.33 -0.35 1.92 4.57 -0.96 -1.91 114.58 118.30 2nux h GLU 117 Ca 0.03 -0.49 -0.00 0.00 -1.18 0.00 0.00 59.36 57.72 2nux h GLU 117 Cb 0.26 0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 2nux h GLU 117 CO 0.01 1.20 0.22 0.82 -1.18 0.00 0.00 179.01 180.08 2nux h ILE 118 N 0.12 1.11 -0.37 2.32 2.04 -1.09 -2.83 117.51 118.81 2nux h ILE 118 Ca -0.13 -0.25 -0.08 0.00 1.00 0.00 0.00 64.86 65.41 2nux h ILE 118 Cb 1.87 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.58 2nux h ILE 118 CO 0.20 0.11 -0.08 0.00 0.00 0.00 0.00 178.15 178.38 2nux h ALA 119 N 1.10 1.16 -0.73 1.87 0.00 -1.12 -0.06 119.26 121.48 2nux h ALA 119 Ca 0.13 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2nux h ALA 119 Cb -0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2nux h ALA 119 CO -0.02 0.54 0.30 -0.09 0.00 0.00 0.00 179.25 179.97 2nux h ARG 120 N 0.59 1.08 0.02 0.00 2.43 -1.17 -3.27 114.38 114.06 2nux h ARG 120 Ca 0.11 -0.19 -0.29 0.00 -0.81 0.00 0.00 59.98 58.79 2nux h ARG 120 Cb 0.50 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.83 2nux h ARG 120 CO 0.03 0.89 -1.68 0.82 -1.51 0.00 0.00 179.97 178.51 2nux h ILE 121 N 1.04 0.89 -3.82 1.20 1.08 -1.39 -3.48 117.51 113.04 2nux h ILE 121 Ca 0.24 -2.72 -0.49 0.00 -0.39 0.00 0.00 64.86 61.51 2nux h ILE 121 Cb 0.20 2.47 -0.01 0.00 -3.07 0.00 0.00 36.82 36.41 2nux h ILE 121 CO -0.02 0.57 0.38 -0.55 -0.69 0.00 0.00 178.15 177.84 2nux s SER 122 N -6.26 7.39 0.00 1.72 0.15 -0.05 -4.86 113.70 111.80 2nux s SER 122 Ca -0.06 2.00 0.18 0.00 0.70 0.00 0.00 55.95 58.76 2nux s SER 122 Cb 0.08 -2.60 0.27 0.00 -1.71 0.00 0.00 66.02 62.06 2nux s SER 122 CO 0.82 -0.03 1.19 -1.54 1.20 0.00 0.00 173.24 174.88 2nux n SER 123 N 1.02 2.86 -4.98 5.45 3.41 -1.26 -4.88 113.62 115.23 2nux n SER 123 Ca -0.00 -1.84 -0.20 0.00 -0.26 0.00 0.00 58.87 56.57 2nux n SER 123 Cb 0.48 -0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 64.28 2nux n SER 123 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2nux s HIS 124 N -1.31 3.36 0.37 7.33 3.76 -1.26 -5.07 115.29 122.46 2nux s HIS 124 Ca 0.27 -0.07 -0.28 0.00 -0.15 0.00 0.00 55.06 54.83 2nux s HIS 124 Cb 0.17 -1.70 -0.11 0.00 1.11 0.00 0.00 32.58 32.04 2nux s HIS 124 CO 0.23 0.30 1.51 0.43 -0.85 0.00 0.00 174.74 176.37 2nux n SER 125 N -1.49 3.86 -4.70 1.40 7.64 -1.26 -4.78 113.62 114.28 2nux n SER 125 Ca -0.06 1.22 -0.38 0.00 1.01 0.00 0.00 58.87 60.65 2nux n SER 125 Cb 0.57 -1.62 -0.06 0.00 -1.01 0.00 0.00 64.21 62.09 2nux n SER 125 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2nux s LEU 126 N -1.89 4.24 -0.19 -3.43 2.96 -1.23 -2.18 118.68 116.95 2nux s LEU 126 Ca 0.54 0.78 -0.02 0.00 -0.22 0.00 0.00 54.13 55.22 2nux s LEU 126 Cb -0.47 -2.71 -0.00 0.00 0.50 0.00 0.00 46.19 43.50 2nux s LEU 126 CO 0.62 -0.06 -0.09 -0.31 -1.32 0.00 0.00 176.35 175.19 2nux s TYR 127 N 0.94 2.90 -0.20 5.38 2.02 -0.02 -0.27 117.35 128.10 2nux s TYR 127 Ca 0.26 -1.00 -0.17 0.00 -0.37 0.00 0.00 57.07 55.79 2nux s TYR 127 Cb -0.15 -2.02 -0.04 0.00 -0.40 0.00 0.00 41.96 39.36 2nux s TYR 127 CO 0.10 -0.52 0.46 0.42 -1.57 0.00 0.00 175.55 174.44 2nux s ILE 128 N 1.20 5.15 -0.47 2.71 -1.09 -0.12 -2.99 121.20 125.59 2nux s ILE 128 Ca 0.02 0.82 -0.14 0.00 -2.23 0.00 0.00 60.65 59.12 2nux s ILE 128 Cb -0.14 -3.78 0.09 0.00 -1.58 0.00 0.00 42.46 37.04 2nux s ILE 128 CO -0.03 0.21 0.38 -0.47 -1.23 0.00 0.00 174.94 173.79 2nux s TYR 129 N 1.52 3.28 -0.41 3.97 5.04 -0.75 -0.33 117.35 129.66 2nux s TYR 129 Ca 0.21 -1.18 -0.12 0.00 -2.44 0.00 0.00 57.07 53.54 2nux s TYR 129 Cb -0.15 -3.24 0.04 0.00 0.35 0.00 0.00 41.96 38.97 2nux s TYR 129 CO 0.09 -0.85 0.27 1.21 -1.34 0.00 0.00 175.55 174.92 2nux s ASN 130 N 2.65 5.87 -0.46 4.32 2.47 0.12 -3.87 114.94 126.03 2nux s ASN 130 Ca 0.04 -1.13 0.06 0.00 0.42 0.00 0.00 52.86 52.24 2nux s ASN 130 Cb -0.25 -2.07 0.20 0.00 -1.45 0.00 0.00 41.25 37.68 2nux s ASN 130 CO 0.05 -0.47 0.45 0.00 -3.72 0.00 0.00 177.10 173.40 2nux n TYR 131 N 5.05 0.15 -0.25 0.43 4.19 -1.26 -1.55 117.16 123.91 2nux n TYR 131 Ca -0.11 -3.58 0.07 0.00 3.31 0.00 0.00 57.90 57.58 2nux n TYR 131 Cb 0.45 -0.11 0.31 0.00 0.49 0.00 0.00 39.34 40.49 2nux n TYR 131 CO 0.00 0.00 0.00 -1.35 0.91 0.00 0.00 176.86 176.42 2nux h PRO 132 N 4.96 0.82 0.00 2.98 0.11 -1.76 -0.81 132.00 138.30 2nux h PRO 132 Ca 0.19 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 2nux h PRO 132 Cb 0.86 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.78 2nux h PRO 132 CO 0.48 0.55 -0.01 0.00 -0.21 0.00 0.00 178.00 178.80 2nux h ALA 133 N 1.57 1.07 0.00 -0.75 0.00 -1.89 0.63 119.26 119.89 2nux h ALA 133 Ca 0.38 -0.01 -0.41 0.00 0.00 0.00 0.00 54.91 54.87 2nux h ALA 133 Cb 0.36 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 2nux h ALA 133 CO -0.15 0.02 -2.42 0.00 0.00 0.00 0.00 179.25 176.69 2nux n ALA 134 N -2.12 1.39 0.04 0.00 0.00 -0.41 -4.67 120.51 114.74 2nux n ALA 134 Ca -0.02 -1.04 -0.02 0.00 0.00 0.00 0.00 53.44 52.37 2nux n ALA 134 Cb 0.14 0.06 -0.08 0.00 0.00 0.00 0.00 19.45 19.58 2nux n ALA 134 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2nux h THR 135 N -0.51 0.71 0.00 0.00 1.35 -1.30 -3.44 112.91 109.72 2nux h THR 135 Ca -0.61 -2.26 0.00 0.00 -0.55 0.00 0.00 66.41 62.99 2nux h THR 135 Cb 1.70 2.22 0.00 0.00 -1.73 0.00 0.00 68.15 70.34 2nux h THR 135 CO -0.26 0.40 0.00 0.61 -0.25 0.00 0.00 175.52 176.03 2nux n GLY 136 N 1.39 0.74 3.09 5.82 0.00 0.21 -3.94 105.19 112.50 2nux n GLY 136 Ca -0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 2nux n GLY 136 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nux s TYR 137 N -2.76 1.10 -0.17 1.61 2.02 -1.25 -5.03 117.35 112.87 2nux s TYR 137 Ca 0.00 -0.24 -0.04 0.00 -0.37 0.00 0.00 57.07 56.42 2nux s TYR 137 Cb 0.00 -0.70 -0.03 0.00 -0.40 0.00 0.00 41.96 40.84 2nux s TYR 137 CO 0.00 -0.01 -0.02 0.34 -1.57 0.00 0.00 175.55 174.29 2nux s ASP 138 N -0.46 4.86 -0.47 2.29 2.15 -1.26 -3.84 116.67 119.94 2nux s ASP 138 Ca 0.04 -0.14 -0.21 0.00 0.43 0.00 0.00 52.55 52.67 2nux s ASP 138 Cb -0.05 -1.81 0.03 0.00 -0.30 0.00 0.00 42.92 40.79 2nux s ASP 138 CO -0.00 0.13 0.71 -0.63 -0.17 0.00 0.00 175.17 175.21 2nux s ILE 139 N 0.58 4.74 0.56 4.11 1.01 -1.26 -5.05 121.20 125.89 2nux s ILE 139 Ca -0.02 0.05 -0.10 0.00 0.00 0.00 0.00 60.65 60.57 2nux s ILE 139 Cb -0.14 -4.30 -0.05 0.00 0.01 0.00 0.00 42.46 37.99 2nux s ILE 139 CO 0.02 -0.74 0.95 -2.16 0.00 0.00 0.00 174.94 173.01 2nux s PRO 140 N 3.02 3.64 0.52 2.79 0.04 -1.26 -4.95 135.00 138.81 2nux s PRO 140 Ca 0.23 0.63 0.26 0.00 0.04 0.00 0.00 61.00 62.17 2nux s PRO 140 Cb -0.15 -2.18 1.39 0.00 0.04 0.00 0.00 34.50 33.61 2nux s PRO 140 CO 0.18 -0.41 1.95 -1.35 0.04 0.00 0.00 177.00 177.41 2nux h PRO 141 N 0.07 0.04 -0.70 0.56 0.11 -1.96 -2.55 132.00 127.57 2nux h PRO 141 Ca -0.45 -0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.79 2nux h PRO 141 Cb 1.19 -0.01 -0.13 0.00 0.11 0.00 0.00 31.00 32.16 2nux h PRO 141 CO 0.62 0.03 -0.20 0.77 -0.21 0.00 0.00 178.00 179.00 2nux h SER 142 N 0.04 -0.74 -0.18 -2.05 0.02 -1.98 -0.30 113.55 108.36 2nux h SER 142 Ca 0.32 0.22 -0.17 0.00 -0.84 0.00 0.00 61.79 61.31 2nux h SER 142 Cb 1.22 0.47 -0.00 0.00 0.14 0.00 0.00 62.40 64.23 2nux h SER 142 CO -0.02 -0.25 -0.54 0.40 -1.14 0.00 0.00 176.83 175.29 2nux h ILE 143 N -0.02 1.29 0.00 3.27 2.04 -1.84 -3.28 117.51 118.96 2nux h ILE 143 Ca 0.33 -1.74 -0.06 0.00 1.00 0.00 0.00 64.86 64.39 2nux h ILE 143 Cb 0.53 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 2nux h ILE 143 CO -0.73 0.56 -0.28 -0.07 0.00 0.00 0.00 178.15 177.63 2nux h LEU 144 N 0.59 0.00 -2.09 1.44 3.38 -1.28 -3.29 115.31 114.06 2nux h LEU 144 Ca 0.02 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.08 2nux h LEU 144 Cb 1.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2nux h LEU 144 CO 0.11 0.28 0.32 0.11 0.09 0.00 0.00 178.44 179.36 2nux h LYS 145 N 0.00 0.00 0.00 1.13 1.57 -1.16 -2.52 116.57 115.59 2nux h LYS 145 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2nux h LYS 145 Cb 0.91 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.22 2nux h LYS 145 CO 0.04 0.00 -0.12 0.77 -0.57 0.00 0.00 179.45 179.57 2nux h SER 146 N 0.00 0.00 -4.22 0.86 0.02 -1.79 -3.48 113.55 104.94 2nux h SER 146 Ca 0.15 -0.88 -0.53 0.00 -0.84 0.00 0.00 61.79 59.69 2nux h SER 146 Cb 0.79 0.00 0.17 0.00 0.14 0.00 0.00 62.40 63.50 2nux h SER 146 CO -0.00 1.01 0.32 -0.76 -1.14 0.00 0.00 176.83 176.26 2nux s LEU 147 N -8.21 3.11 -1.23 5.07 1.43 -0.95 -4.93 118.68 112.97 2nux s LEU 147 Ca -0.19 2.27 -0.09 0.00 -1.03 0.00 0.00 54.13 55.10 2nux s LEU 147 Cb -0.02 -4.58 0.20 0.00 0.03 0.00 0.00 46.19 41.82 2nux s LEU 147 CO 0.63 -2.60 1.73 -0.81 0.23 0.00 0.00 176.35 175.53 2nux n PRO 148 N -3.38 3.77 -2.72 1.29 -0.04 -1.26 -5.00 135.00 127.66 2nux n PRO 148 Ca 0.13 -3.79 -0.41 0.00 -0.04 0.00 0.00 63.50 59.38 2nux n PRO 148 Cb 0.51 -2.84 -0.04 0.00 -0.04 0.00 0.00 33.50 31.09 2nux n PRO 148 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2nux s VAL 149 N -0.17 4.56 -0.26 0.52 1.01 -1.26 -3.55 120.40 121.24 2nux s VAL 149 Ca 0.38 2.05 -0.03 0.00 0.00 0.00 0.00 61.98 64.38 2nux s VAL 149 Cb 0.07 -4.31 -0.16 0.00 0.00 0.00 0.00 36.38 31.98 2nux s VAL 149 CO 0.02 0.28 -0.25 1.17 0.00 0.00 0.00 175.10 176.32 2nux n LYS 150 N 3.02 0.63 -3.99 2.72 4.81 0.63 -4.74 118.16 121.24 2nux n LYS 150 Ca 0.03 0.19 -0.08 0.00 -0.87 0.00 0.00 58.31 57.58 2nux n LYS 150 Cb 0.49 -1.52 -0.09 0.00 0.02 0.00 0.00 35.03 33.94 2nux n LYS 150 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2nux s GLY 151 N -6.20 0.31 -0.06 3.14 0.00 -1.13 -0.90 107.32 102.48 2nux s GLY 151 Ca -0.36 -0.96 0.01 0.00 0.00 0.00 0.00 44.72 43.42 2nux s GLY 151 CO 0.57 -1.09 -0.07 -0.42 0.00 0.00 0.00 173.10 172.09 2nux s ILE 152 N -3.90 0.78 -0.35 0.90 1.01 0.60 -0.95 121.20 119.29 2nux s ILE 152 Ca 0.06 -0.23 -0.12 0.00 0.00 0.00 0.00 60.65 60.36 2nux s ILE 152 Cb 0.07 -0.78 0.00 0.00 0.01 0.00 0.00 42.46 41.76 2nux s ILE 152 CO -0.10 0.29 0.22 -0.75 0.00 0.00 0.00 174.94 174.60 2nux s LYS 153 N 1.04 3.22 -0.43 2.79 2.20 0.55 -1.27 119.74 127.84 2nux s LYS 153 Ca -0.08 -0.82 -0.05 0.00 -0.36 0.00 0.00 55.97 54.66 2nux s LYS 153 Cb -0.14 -3.76 0.11 0.00 -1.51 0.00 0.00 37.83 32.53 2nux s LYS 153 CO -0.00 -0.54 0.25 0.34 -0.36 0.00 0.00 175.35 175.04 2nux s ASP 154 N 1.65 5.40 -0.52 1.43 2.15 0.04 -0.70 116.67 126.12 2nux s ASP 154 Ca 0.05 -2.00 -0.23 0.00 0.43 0.00 0.00 52.55 50.80 2nux s ASP 154 Cb -0.18 -1.89 0.04 0.00 -0.30 0.00 0.00 42.92 40.59 2nux s ASP 154 CO 0.08 -0.59 0.82 -0.89 -0.17 0.00 0.00 175.17 174.42 2nux s THR 155 N 1.21 4.58 -0.28 1.71 2.01 -0.59 -1.20 115.64 123.06 2nux s THR 155 Ca 0.07 0.11 -0.24 0.00 0.31 0.00 0.00 61.69 61.94 2nux s THR 155 Cb -0.24 -4.42 0.13 0.00 0.01 0.00 0.00 72.50 67.97 2nux s THR 155 CO -0.03 -0.94 1.03 0.21 -0.69 0.00 0.00 174.62 174.20 2nux s ASN 156 N 2.63 -0.45 0.16 3.53 3.84 -1.26 -4.36 114.94 119.03 2nux s ASN 156 Ca 0.26 0.86 0.27 0.00 0.21 0.00 0.00 52.86 54.45 2nux s ASN 156 Cb -0.14 0.91 0.88 0.00 -0.55 0.00 0.00 41.25 42.35 2nux s ASN 156 CO 0.18 -0.15 1.79 0.00 -2.79 0.00 0.00 177.10 176.14 2nux n GLN 157 N 2.39 0.20 -2.94 0.43 1.13 -1.26 -4.64 117.38 112.69 2nux n GLN 157 Ca -0.13 0.16 -0.43 0.00 -1.94 0.00 0.00 57.00 54.66 2nux n GLN 157 Cb 0.56 -1.73 -0.04 0.00 0.11 0.00 0.00 30.24 29.13 2nux n GLN 157 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2nux s ASP 158 N -4.18 6.22 0.42 1.08 -1.08 -1.26 -4.91 116.67 112.96 2nux s ASP 158 Ca 0.11 -0.91 0.09 0.00 -0.52 0.00 0.00 52.55 51.32 2nux s ASP 158 Cb 0.14 -2.39 0.90 0.00 -1.46 0.00 0.00 42.92 40.11 2nux s ASP 158 CO 0.59 -1.27 2.03 -0.07 0.52 0.00 0.00 175.17 176.97 2nux h LEU 159 N 10.82 0.34 -1.77 -1.34 3.38 -2.01 -1.29 115.31 123.44 2nux h LEU 159 Ca -0.28 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 2nux h LEU 159 Cb 1.08 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 2nux h LEU 159 CO 1.12 0.31 -0.13 0.00 0.09 0.00 0.00 178.44 179.82 2nux h ALA 160 N 1.75 1.73 -0.48 1.53 0.00 -1.98 -0.58 119.26 121.23 2nux h ALA 160 Ca 0.10 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2nux h ALA 160 Cb 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2nux h ALA 160 CO -0.01 0.16 0.09 1.25 0.00 0.00 0.00 179.25 180.74 2nux h HIS 161 N 0.00 0.83 -0.35 0.00 -0.00 -1.65 0.91 115.15 114.90 2nux h HIS 161 Ca -0.00 -0.11 -0.08 0.00 -0.00 0.00 0.00 60.37 60.18 2nux h HIS 161 Cb 0.24 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 2nux h HIS 161 CO 0.00 0.77 -0.08 0.77 -0.00 0.00 0.00 177.93 179.39 2nux h SER 162 N 0.66 0.67 0.30 3.26 0.02 -1.33 -2.83 113.55 114.31 2nux h SER 162 Ca 0.15 -0.36 -0.04 0.00 -0.84 0.00 0.00 61.79 60.70 2nux h SER 162 Cb 0.37 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2nux h SER 162 CO 0.01 0.88 -0.18 0.25 -1.14 0.00 0.00 176.83 176.64 2nux h LEU 163 N 0.46 0.00 -1.30 5.07 5.85 -0.94 -1.62 115.31 122.83 2nux h LEU 163 Ca 0.09 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 2nux h LEU 163 Cb 0.58 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 2nux h LEU 163 CO 0.03 0.18 -0.35 -0.08 -0.34 0.00 0.00 178.44 177.89 2nux h GLU 164 N 0.00 0.01 0.13 1.25 4.81 -0.56 -1.58 114.58 118.64 2nux h GLU 164 Ca -0.00 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2nux h GLU 164 Cb 0.38 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2nux h GLU 164 CO 0.02 0.35 -0.06 1.88 -0.73 0.00 0.00 179.01 180.47 2nux h TYR 165 N 0.01 -0.16 -0.58 0.92 0.05 -1.27 -0.90 116.97 115.02 2nux h TYR 165 Ca -0.00 -0.00 0.11 0.00 0.05 0.00 0.00 58.73 58.89 2nux h TYR 165 Cb 0.62 0.05 -0.11 0.00 1.01 0.00 0.00 36.73 38.30 2nux h TYR 165 CO 0.00 0.10 -0.24 0.87 -1.05 0.00 0.00 178.16 177.84 2nux h LYS 166 N -0.42 -0.09 0.49 4.88 1.79 -1.41 0.77 116.57 122.57 2nux h LYS 166 Ca -0.02 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 2nux h LYS 166 Cb 0.34 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 2nux h LYS 166 CO 0.03 -0.06 -0.26 -0.07 -1.08 0.00 0.00 179.45 178.01 2nux h LEU 167 N -0.09 -0.64 -0.28 2.94 4.07 -1.21 -3.29 115.31 116.80 2nux h LEU 167 Ca 0.26 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.25 2nux h LEU 167 Cb 0.51 0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.43 2nux h LEU 167 CO -0.65 -0.43 0.00 0.78 -1.08 0.00 0.00 178.44 177.06 2nux h ASN 168 N -0.70 0.00 -2.28 -0.43 2.35 -0.79 -3.37 115.58 110.36 2nux h ASN 168 Ca -0.06 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 55.09 2nux h ASN 168 Cb 0.55 0.00 -0.42 0.00 0.05 0.00 0.00 38.32 38.50 2nux h ASN 168 CO 0.09 0.00 -0.61 0.18 -1.65 0.00 0.00 177.43 175.44 2nux n LEU 169 N -2.94 3.56 -4.43 1.61 4.77 0.23 -5.03 117.00 114.77 2nux n LEU 169 Ca 0.04 -5.39 -0.47 0.00 -0.03 0.00 0.00 56.01 50.15 2nux n LEU 169 Cb 0.46 -0.63 -0.02 0.00 -2.33 0.00 0.00 43.42 40.90 2nux n LEU 169 CO 0.32 2.03 0.07 -2.65 -1.33 0.00 0.00 177.39 175.82 2nux n PRO 170 N 0.99 0.26 0.00 3.23 -0.02 -1.26 -1.70 135.00 136.50 2nux n PRO 170 Ca 0.29 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 2nux n PRO 170 Cb 0.41 -1.17 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 2nux n PRO 170 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nux n GLY 171 N 1.87 2.94 3.76 -1.23 0.00 -1.26 -5.01 105.19 106.26 2nux n GLY 171 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 2nux n GLY 171 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nux s VAL 172 N -0.98 3.76 -0.03 1.61 1.01 -0.69 -4.99 120.40 120.09 2nux s VAL 172 Ca 0.00 1.68 -0.23 0.00 0.00 0.00 0.00 61.98 63.43 2nux s VAL 172 Cb 0.00 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 2nux s VAL 172 CO 0.00 0.33 0.67 -0.54 0.00 0.00 0.00 175.10 175.56 2nux s LYS 173 N -1.57 4.41 -0.07 2.72 -0.14 -0.08 -4.84 119.74 120.17 2nux s LYS 173 Ca 0.46 0.85 0.05 0.00 -1.36 0.00 0.00 55.97 55.98 2nux s LYS 173 Cb -0.27 -3.40 -0.01 0.00 -1.68 0.00 0.00 37.83 32.46 2nux s LYS 173 CO 0.35 0.19 -0.24 0.08 -0.76 0.00 0.00 175.35 174.96 2nux s VAL 174 N 0.38 2.00 -0.05 3.17 1.01 -1.26 -0.29 120.40 125.37 2nux s VAL 174 Ca 0.35 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.33 2nux s VAL 174 Cb -0.18 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.50 2nux s VAL 174 CO 0.18 0.55 -0.09 -0.31 0.00 0.00 0.00 175.10 175.43 2nux s TYR 175 N 0.00 1.13 0.06 5.22 2.02 -0.40 -0.83 117.35 124.56 2nux s TYR 175 Ca -0.08 -0.36 -0.19 0.00 -0.37 0.00 0.00 57.07 56.07 2nux s TYR 175 Cb -0.15 -0.85 -0.06 0.00 -0.40 0.00 0.00 41.96 40.49 2nux s TYR 175 CO 0.05 -0.20 0.56 1.21 -1.57 0.00 0.00 175.55 175.60 2nux s ASN 176 N 0.57 7.03 -0.01 2.29 3.84 -1.08 -0.78 114.94 126.80 2nux s ASN 176 Ca -0.10 1.23 0.18 0.00 0.21 0.00 0.00 52.86 54.37 2nux s ASN 176 Cb -0.13 -2.35 0.54 0.00 -0.55 0.00 0.00 41.25 38.75 2nux s ASN 176 CO 0.02 0.26 1.45 0.61 -2.79 0.00 0.00 177.10 176.65 2nux n GLY 177 N 1.80 1.86 3.74 1.21 0.00 -0.34 -2.32 105.19 111.13 2nux n GLY 177 Ca -0.10 -0.66 -0.38 0.00 0.00 0.00 0.00 46.02 44.88 2nux n GLY 177 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2nux s SER 178 N -0.98 6.65 0.31 1.61 0.15 -1.26 -4.56 113.70 115.62 2nux s SER 178 Ca 0.40 0.78 0.04 0.00 0.70 0.00 0.00 55.95 57.87 2nux s SER 178 Cb 0.22 -2.26 0.52 0.00 -1.71 0.00 0.00 66.02 62.78 2nux s SER 178 CO 0.27 0.06 1.80 0.78 1.20 0.00 0.00 173.24 177.34 2nux h ASN 179 N 6.47 0.45 -0.01 5.45 2.35 -1.92 -2.97 115.58 125.40 2nux h ASN 179 Ca -0.42 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.21 2nux h ASN 179 Cb 1.18 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.43 2nux h ASN 179 CO 0.74 0.63 0.00 0.35 -1.65 0.00 0.00 177.43 177.50 2nux n THR 180 N -4.19 0.02 -0.60 2.81 -2.24 -1.26 -3.43 114.28 105.38 2nux n THR 180 Ca 0.00 -0.04 0.01 0.00 -2.27 0.00 0.00 64.05 61.76 2nux n THR 180 Cb 0.33 -0.27 0.02 0.00 -2.10 0.00 0.00 70.33 68.32 2nux n THR 180 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2nux n LEU 181 N -0.72 1.33 -0.10 3.22 4.77 -1.12 -4.87 117.00 119.50 2nux n LEU 181 Ca 0.18 -1.52 -0.07 0.00 -0.03 0.00 0.00 56.01 54.57 2nux n LEU 181 Cb 0.11 -0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2nux n LEU 181 CO 0.13 0.37 0.69 0.40 -1.33 0.00 0.00 177.39 177.66 2nux h ILE 182 N 1.41 0.35 -0.47 -0.08 2.04 -1.57 -0.34 117.51 118.85 2nux h ILE 182 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.95 2nux h ILE 182 Cb 0.79 0.35 -0.10 0.00 -0.74 0.00 0.00 36.82 37.12 2nux h ILE 182 CO 0.00 0.00 -0.25 0.22 0.00 0.00 0.00 178.15 178.12 2nux h TYR 183 N -0.19 -0.65 -0.58 1.37 5.03 -1.89 -0.47 116.97 119.59 2nux h TYR 183 Ca 0.18 0.05 -0.05 0.00 2.58 0.00 0.00 58.73 61.50 2nux h TYR 183 Cb 0.47 0.36 -0.02 0.00 1.55 0.00 0.00 36.73 39.09 2nux h TYR 183 CO -0.46 -0.33 0.17 1.88 -1.32 0.00 0.00 178.16 178.10 2nux h TYR 184 N -0.15 0.94 -0.78 -3.82 0.05 -1.72 -2.67 116.97 108.83 2nux h TYR 184 Ca 0.21 -0.10 -0.00 0.00 0.05 0.00 0.00 58.73 58.89 2nux h TYR 184 Cb 0.49 -0.27 -0.04 0.00 1.01 0.00 0.00 36.73 37.92 2nux h TYR 184 CO -0.51 0.79 0.47 0.77 -1.05 0.00 0.00 178.16 178.64 2nux h SER 185 N 0.82 0.92 0.69 3.88 0.02 -0.27 -1.35 113.55 118.26 2nux h SER 185 Ca 0.19 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2nux h SER 185 Cb 0.30 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.61 2nux h SER 185 CO -0.00 0.70 0.00 0.18 -1.14 0.00 0.00 176.83 176.57 2nux n LEU 186 N -4.39 0.17 -0.76 5.07 4.77 -0.26 -0.59 117.00 121.01 2nux n LEU 186 Ca 0.08 0.53 0.07 0.00 -0.03 0.00 0.00 56.01 56.67 2nux n LEU 186 Cb 0.06 -0.50 0.16 0.00 -2.33 0.00 0.00 43.42 40.80 2nux n LEU 186 CO 0.37 -0.26 0.61 0.18 -1.33 0.00 0.00 177.39 176.96 2nux n LEU 187 N -1.68 2.89 0.00 2.23 4.77 -0.54 -4.79 117.00 119.88 2nux n LEU 187 Ca 0.04 -1.67 0.00 0.00 -0.03 0.00 0.00 56.01 54.35 2nux n LEU 187 Cb 0.23 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2nux n LEU 187 CO 0.18 0.67 0.00 -1.54 -1.33 0.00 0.00 177.39 175.37 2nux n SER 188 N 0.83 0.00 -2.46 -1.43 3.41 -1.04 -5.08 113.62 107.85 2nux n SER 188 Ca 0.13 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.71 2nux n SER 188 Cb 0.44 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.40 2nux n SER 188 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2nux n LEU 189 N -0.64 0.00 -0.47 1.04 4.77 0.24 -5.03 117.00 116.91 2nux n LEU 189 Ca 0.00 -0.41 0.14 0.00 -0.03 0.00 0.00 56.01 55.71 2nux n LEU 189 Cb 0.00 -0.05 0.45 0.00 -2.33 0.00 0.00 43.42 41.49 2nux n LEU 189 CO 0.00 -0.47 0.80 0.47 -1.33 0.00 0.00 177.39 176.85 2nux n ASP 190 N -2.66 1.54 0.00 -1.43 8.00 -0.01 -4.82 116.55 117.17 2nux n ASP 190 Ca 0.02 -1.42 0.00 0.00 0.71 0.00 0.00 54.79 54.10 2nux n ASP 190 Cb 0.10 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 2nux n ASP 190 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nux n GLY 191 N 1.23 -0.13 3.14 0.44 0.00 -1.23 -1.49 105.19 107.15 2nux n GLY 191 Ca 0.17 -1.45 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 2nux n GLY 191 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2nux s VAL 192 N -2.85 0.70 -0.49 1.61 -7.23 -0.40 -2.65 120.40 109.10 2nux s VAL 192 Ca 0.00 -1.61 0.03 0.00 -1.81 0.00 0.00 61.98 58.60 2nux s VAL 192 Cb 0.00 -1.28 0.16 0.00 0.56 0.00 0.00 36.38 35.81 2nux s VAL 192 CO 0.00 -0.65 0.34 -0.69 -0.31 0.00 0.00 175.10 173.78 2nux s VAL 193 N -2.67 1.35 -0.13 1.32 1.01 -0.98 -0.81 120.40 119.49 2nux s VAL 193 Ca 0.04 -2.97 0.00 0.00 0.00 0.00 0.00 61.98 59.05 2nux s VAL 193 Cb -0.01 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 2nux s VAL 193 CO -0.02 -1.04 -0.14 0.00 0.00 0.00 0.00 175.10 173.90 2nux s ALA 194 N -0.16 2.58 0.50 5.51 0.00 -1.09 -4.16 121.76 124.94 2nux s ALA 194 Ca 0.24 -0.92 0.17 0.00 0.00 0.00 0.00 51.96 51.45 2nux s ALA 194 Cb -0.10 -1.20 1.22 0.00 0.00 0.00 0.00 23.12 23.04 2nux s ALA 194 CO -0.11 0.21 2.09 0.66 0.00 0.00 0.00 175.76 178.61 2nux h SER 195 N 6.80 0.10 0.33 0.00 4.64 -1.87 -1.75 113.55 121.79 2nux h SER 195 Ca -0.26 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2nux h SER 195 Cb 1.21 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2nux h SER 195 CO 0.55 0.07 0.00 0.49 -0.87 0.00 0.00 176.83 177.07 2nux n PHE 196 N -4.49 0.59 0.29 4.77 3.01 -1.26 -1.90 117.46 118.47 2nux n PHE 196 Ca 0.02 0.27 0.15 0.00 1.01 0.00 0.00 57.45 58.90 2nux n PHE 196 Cb 0.22 -0.93 0.72 0.00 -0.01 0.00 0.00 39.48 39.49 2nux n PHE 196 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 2nux h THR 197 N 0.00 0.00 -0.38 4.37 1.35 -1.60 -1.28 112.91 115.37 2nux h THR 197 Ca 0.00 -0.17 -0.08 0.00 -0.55 0.00 0.00 66.41 65.61 2nux h THR 197 Cb 0.17 0.95 -0.02 0.00 -1.73 0.00 0.00 68.15 67.51 2nux h THR 197 CO 0.00 0.00 -0.10 0.78 -0.25 0.00 0.00 175.52 175.95 2nux h ASN 198 N 0.00 0.64 0.00 5.36 2.35 -1.61 -3.16 115.58 119.17 2nux h ASN 198 Ca 0.00 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 2nux h ASN 198 Cb 0.21 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 2nux h ASN 198 CO 0.00 0.78 -1.19 2.22 -1.65 0.00 0.00 177.43 177.59 2nux n PHE 199 N -4.18 0.00 -2.76 1.19 1.16 -1.02 -4.77 117.46 107.08 2nux n PHE 199 Ca 0.01 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.38 2nux n PHE 199 Cb 0.34 -0.11 -0.01 0.00 -1.61 0.00 0.00 39.48 38.10 2nux n PHE 199 CO 0.00 0.00 0.00 0.44 -1.87 0.00 0.00 176.76 175.33 2nux n ILE 200 N -1.72 1.81 -0.10 1.97 -5.35 -0.52 -4.57 119.36 110.88 2nux n ILE 200 Ca -0.02 -4.61 -0.08 0.00 -0.27 0.00 0.00 62.75 57.77 2nux n ILE 200 Cb 0.19 -0.68 -0.01 0.00 -1.74 0.00 0.00 39.64 37.40 2nux n ILE 200 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 2nux h PRO 201 N 2.85 0.42 -0.34 6.28 0.13 -1.72 -2.20 132.00 137.42 2nux h PRO 201 Ca 0.13 -0.03 0.10 0.00 -0.87 0.00 0.00 66.00 65.33 2nux h PRO 201 Cb 0.88 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 2nux h PRO 201 CO 0.70 0.28 0.26 1.05 -0.23 0.00 0.00 178.00 180.07 2nux h GLU 202 N 0.44 0.00 -0.15 0.86 9.09 -1.90 -0.22 114.58 122.69 2nux h GLU 202 Ca 0.13 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.43 2nux h GLU 202 Cb -0.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.07 2nux h GLU 202 CO -0.04 0.00 -0.32 0.28 0.05 0.00 0.00 179.01 178.97 2nux h VAL 203 N 0.00 1.36 -0.32 -1.06 2.07 -1.78 0.43 116.25 116.95 2nux h VAL 203 Ca 0.16 -1.58 -0.18 0.00 0.82 0.00 0.00 66.70 65.92 2nux h VAL 203 Cb 0.69 1.99 -0.00 0.00 -1.52 0.00 0.00 31.29 32.44 2nux h VAL 203 CO -0.00 0.48 -0.49 0.40 0.02 0.00 0.00 177.57 177.98 2nux h ILE 204 N 0.11 1.27 -0.77 4.57 2.04 -1.27 -1.31 117.51 122.16 2nux h ILE 204 Ca 0.00 -1.67 -0.01 0.00 1.00 0.00 0.00 64.86 64.18 2nux h ILE 204 Cb 0.92 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 38.51 2nux h ILE 204 CO 0.07 0.55 0.44 0.58 0.00 0.00 0.00 178.15 179.79 2nux h VAL 205 N 0.69 1.23 -0.87 1.67 2.07 -1.08 -2.09 116.25 117.88 2nux h VAL 205 Ca 0.03 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 2nux h VAL 205 Cb 1.09 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 2nux h VAL 205 CO 0.11 0.24 0.44 0.50 0.02 0.00 0.00 177.57 178.89 2nux h LYS 206 N 1.06 1.23 -0.28 1.57 1.63 -0.65 -1.74 116.57 119.38 2nux h LYS 206 Ca 0.27 -0.16 0.04 0.00 -0.85 0.00 0.00 60.65 59.95 2nux h LYS 206 Cb 0.01 -0.23 -0.04 0.00 -0.60 0.00 0.00 32.23 31.37 2nux h LYS 206 CO -0.05 0.92 0.07 1.96 -3.45 0.00 0.00 179.45 178.90 2nux h GLN 207 N 1.22 0.17 -0.54 1.90 4.20 -0.59 0.22 115.11 121.70 2nux h GLN 207 Ca 0.30 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 59.02 2nux h GLN 207 Cb 0.08 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 2nux h GLN 207 CO -0.04 0.11 0.34 -0.09 -0.67 0.00 0.00 178.83 178.48 2nux h ARG 208 N 0.18 0.65 -0.60 1.46 2.43 -1.02 -1.07 114.38 116.41 2nux h ARG 208 Ca 0.13 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.18 2nux h ARG 208 Cb 0.13 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 2nux h ARG 208 CO -0.16 0.43 0.07 -0.44 -1.51 0.00 0.00 179.97 178.36 2nux h ASP 209 N 0.67 0.98 -0.25 -3.80 3.32 -0.93 -0.34 116.42 116.08 2nux h ASP 209 Ca 0.21 -0.27 -0.07 0.00 0.02 0.00 0.00 57.03 56.92 2nux h ASP 209 Cb -0.01 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 2nux h ASP 209 CO -0.08 1.01 -0.05 -0.07 -1.72 0.00 0.00 179.24 178.32 2nux h LEU 210 N 0.92 0.57 -0.44 1.55 3.38 -0.69 -1.97 115.31 118.64 2nux h LEU 210 Ca 0.18 -0.13 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 2nux h LEU 210 Cb 0.46 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2nux h LEU 210 CO 0.02 0.68 -0.57 0.40 0.09 0.00 0.00 178.44 179.06 2nux h ILE 211 N 0.56 1.31 -0.05 1.22 2.04 -0.80 0.27 117.51 122.06 2nux h ILE 211 Ca 0.11 -1.81 -0.05 0.00 1.00 0.00 0.00 64.86 64.11 2nux h ILE 211 Cb 0.44 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 2nux h ILE 211 CO 0.02 0.57 -0.21 0.11 0.00 0.00 0.00 178.15 178.64 2nux h LYS 212 N 0.48 0.08 0.00 2.37 1.57 -0.75 -1.69 116.57 118.64 2nux h LYS 212 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2nux h LYS 212 Cb 1.14 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.44 2nux h LYS 212 CO 0.11 0.30 -0.19 1.04 -0.57 0.00 0.00 179.45 180.14 2nux n GLN 213 N -4.25 0.13 -0.45 3.15 6.02 -0.77 -4.94 117.38 116.27 2nux n GLN 213 Ca -0.02 0.08 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 2nux n GLN 213 Cb 0.29 -1.62 0.00 0.00 1.02 0.00 0.00 30.24 29.93 2nux n GLN 213 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2nux n GLY 214 N 1.42 0.76 2.97 1.08 0.00 -0.64 -4.99 105.19 105.79 2nux n GLY 214 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 2nux n GLY 214 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2nux n LYS 215 N -2.33 3.55 -0.08 1.61 5.02 0.88 -4.79 118.16 122.01 2nux n LYS 215 Ca 0.00 -3.54 -0.11 0.00 -2.02 0.00 0.00 58.31 52.64 2nux n LYS 215 Cb 0.00 -2.96 -0.04 0.00 -0.02 0.00 0.00 35.03 32.00 2nux n LYS 215 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2nux h LEU 216 N 8.30 0.39 -1.30 -0.35 4.07 -1.90 -2.76 115.31 121.76 2nux h LEU 216 Ca 0.39 -0.27 0.19 0.00 0.08 0.00 0.00 57.88 58.26 2nux h LEU 216 Cb 0.67 -0.10 -0.08 0.00 1.08 0.00 0.00 40.66 42.23 2nux h LEU 216 CO 1.57 0.56 0.60 0.44 -1.08 0.00 0.00 178.44 180.54 2nux h ASP 217 N 0.20 0.59 -0.17 -0.43 3.32 -1.96 0.49 116.42 118.46 2nux h ASP 217 Ca 0.07 0.06 -0.16 0.00 0.02 0.00 0.00 57.03 57.02 2nux h ASP 217 Cb 0.35 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 2nux h ASP 217 CO 0.01 0.24 -0.46 0.44 -1.72 0.00 0.00 179.24 177.75 2nux h ASP 218 N 0.59 0.79 -0.37 6.45 5.19 -1.92 -0.56 116.42 126.59 2nux h ASP 218 Ca 0.50 -0.39 -0.07 0.00 -0.62 0.00 0.00 57.03 56.46 2nux h ASP 218 Cb 0.98 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 40.25 2nux h ASP 218 CO -0.25 1.13 -0.03 0.00 -3.12 0.00 0.00 179.24 176.97 2nux h ALA 219 N 0.90 0.50 -0.60 3.45 0.00 -0.52 -2.67 119.26 120.33 2nux h ALA 219 Ca 0.03 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2nux h ALA 219 Cb 1.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2nux h ALA 219 CO 0.10 0.31 0.25 1.25 0.00 0.00 0.00 179.25 181.15 2nux h LEU 220 N 0.49 0.82 -1.15 0.00 5.85 -0.04 -1.72 115.31 119.56 2nux h LEU 220 Ca 0.10 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.67 2nux h LEU 220 Cb 0.51 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 2nux h LEU 220 CO 0.03 0.75 0.57 -0.09 -0.34 0.00 0.00 178.44 179.36 2nux h ARG 221 N 0.83 1.14 -0.13 1.25 2.43 -1.04 -0.60 114.38 118.25 2nux h ARG 221 Ca 0.20 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.22 2nux h ARG 221 Cb 0.18 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 2nux h ARG 221 CO -0.02 0.75 -0.27 -0.07 -1.51 0.00 0.00 179.97 178.86 2nux h LEU 222 N 1.17 0.24 -0.82 3.80 3.38 -1.08 -2.66 115.31 119.34 2nux h LEU 222 Ca 0.32 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 58.11 2nux h LEU 222 Cb -0.14 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2nux h LEU 222 CO -0.07 0.51 -0.26 -0.61 0.09 0.00 0.00 178.44 178.10 2nux h GLN 223 N 0.22 0.60 -0.32 1.13 5.75 -0.25 -1.71 115.11 120.54 2nux h GLN 223 Ca 0.03 -0.24 0.05 0.00 -0.15 0.00 0.00 58.65 58.34 2nux h GLN 223 Cb 0.59 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.07 2nux h GLN 223 CO 0.04 0.80 0.06 0.93 -2.65 0.00 0.00 178.83 178.01 2nux h GLU 224 N 0.52 0.16 -0.35 1.69 4.39 -0.97 0.13 114.58 120.16 2nux h GLU 224 Ca 0.07 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 2nux h GLU 224 Cb 0.72 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 2nux h GLU 224 CO 0.06 0.11 0.14 -0.07 -1.16 0.00 0.00 179.01 178.08 2nux h LEU 225 N 0.17 0.49 -0.62 1.33 3.38 -1.43 -0.99 115.31 117.63 2nux h LEU 225 Ca 0.15 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.00 2nux h LEU 225 Cb 0.17 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 2nux h LEU 225 CO -0.20 0.53 0.35 0.40 0.09 0.00 0.00 178.44 179.60 2nux h ILE 226 N 0.42 0.99 -0.53 1.22 2.04 -0.77 -1.25 117.51 119.63 2nux h ILE 226 Ca 0.12 -0.23 -0.08 0.00 1.00 0.00 0.00 64.86 65.66 2nux h ILE 226 Cb 0.19 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 2nux h ILE 226 CO -0.01 0.12 -0.00 0.78 0.00 0.00 0.00 178.15 179.04 2nux h ASN 227 N 0.67 0.88 -0.79 1.72 4.21 -0.36 -0.92 115.58 120.98 2nux h ASN 227 Ca 0.27 -0.23 -0.03 0.00 1.21 0.00 0.00 56.30 57.52 2nux h ASN 227 Cb 0.13 -0.23 -0.04 0.00 -1.12 0.00 0.00 38.32 37.06 2nux h ASN 227 CO -0.16 0.94 0.37 0.03 -1.29 0.00 0.00 177.43 177.33 2nux h ARG 228 N 0.84 1.14 -0.08 0.81 3.08 -0.71 -2.26 114.38 117.20 2nux h ARG 228 Ca 0.16 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 60.05 2nux h ARG 228 Cb 0.50 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 2nux h ARG 228 CO 0.02 0.89 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.71 2nux h LEU 229 N 1.12 -0.10 -0.78 3.04 3.38 -0.81 -2.78 115.31 118.38 2nux h LEU 229 Ca 0.27 0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.45 2nux h LEU 229 Cb 0.13 0.06 -0.13 0.00 0.09 0.00 0.00 40.66 40.80 2nux h LEU 229 CO -0.03 -0.04 0.04 0.00 0.09 0.00 0.00 178.44 178.50 2nux h ALA 230 N 1.06 0.87 -0.91 1.53 0.00 -0.69 -0.46 119.26 120.65 2nux h ALA 230 Ca 0.04 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2nux h ALA 230 Cb 0.08 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2nux h ALA 230 CO -0.09 -0.43 0.52 -0.44 0.00 0.00 0.00 179.25 178.81 2nux h ASP 231 N 0.12 1.12 -0.20 0.00 3.32 -1.16 -2.50 116.42 117.11 2nux h ASP 231 Ca 0.44 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 57.32 2nux h ASP 231 Cb 0.79 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 2nux h ASP 231 CO -0.67 0.88 -0.18 0.40 -1.72 0.00 0.00 179.24 177.95 2nux h ILE 232 N 1.26 1.33 -0.52 0.35 2.04 -0.90 -3.27 117.51 117.80 2nux h ILE 232 Ca 0.32 -1.33 -0.05 0.00 1.00 0.00 0.00 64.86 64.81 2nux h ILE 232 Cb -0.00 1.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 2nux h ILE 232 CO -0.06 0.40 0.14 -0.07 0.00 0.00 0.00 178.15 178.57 2nux h LEU 233 N 0.15 0.73 -0.84 1.44 4.07 -1.06 -3.00 115.31 116.79 2nux h LEU 233 Ca 0.03 -0.12 0.21 0.00 0.08 0.00 0.00 57.88 58.08 2nux h LEU 233 Cb 0.72 -0.19 -0.13 0.00 1.08 0.00 0.00 40.66 42.14 2nux h LEU 233 CO 0.05 0.71 0.23 0.03 -1.08 0.00 0.00 178.44 178.38 2nux h ARG 234 N 0.76 0.24 -0.97 1.13 3.08 -1.49 -0.67 114.38 116.47 2nux h ARG 234 Ca 0.17 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.30 2nux h ARG 234 Cb 0.26 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.19 2nux h ARG 234 CO -0.00 0.16 0.62 0.87 -1.07 0.00 0.00 179.97 180.55 2nux h LYS 235 N 0.25 1.01 0.00 0.04 1.57 -1.68 -2.93 116.57 114.84 2nux h LYS 235 Ca 0.51 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 2nux h LYS 235 Cb 0.97 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2nux h LYS 235 CO -0.60 0.67 -0.90 0.66 -0.57 0.00 0.00 179.45 178.71 2nux n TYR 236 N -4.54 0.40 0.00 -1.35 4.01 -0.33 -5.02 117.16 110.33 2nux n TYR 236 Ca 0.16 0.12 0.00 0.00 -0.16 0.00 0.00 57.90 58.02 2nux n TYR 236 Cb 0.27 -0.54 0.00 0.00 -0.31 0.00 0.00 39.34 38.76 2nux n TYR 236 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2nux n GLY 237 N 1.35 0.50 0.38 2.72 0.00 -0.78 -4.69 105.19 104.67 2nux n GLY 237 Ca 0.02 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 45.06 2nux n GLY 237 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2nux h SER 238 N 0.00 -1.33 -0.50 1.61 0.02 -1.78 0.12 113.55 111.68 2nux h SER 238 Ca 0.00 0.21 0.02 0.00 -0.84 0.00 0.00 61.79 61.18 2nux h SER 238 Cb 0.00 0.58 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 2nux h SER 238 CO 0.00 -0.37 0.30 0.40 -1.14 0.00 0.00 176.83 176.03 2nux h ILE 239 N -0.33 1.06 -0.15 3.27 2.04 -1.94 -0.32 117.51 121.14 2nux h ILE 239 Ca 0.14 -0.21 -0.08 0.00 1.00 0.00 0.00 64.86 65.71 2nux h ILE 239 Cb 0.58 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 2nux h ILE 239 CO -0.54 0.11 -0.25 0.28 0.00 0.00 0.00 178.15 177.75 2nux h SER 240 N 0.61 0.26 -0.56 1.72 0.02 -1.76 -2.66 113.55 111.18 2nux h SER 240 Ca 0.20 -0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 60.96 2nux h SER 240 Cb 0.01 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 2nux h SER 240 CO -0.09 0.51 -0.10 0.00 -1.14 0.00 0.00 176.83 176.02 2nux h ALA 241 N 1.51 0.76 -0.84 3.77 0.00 0.23 -3.18 119.26 121.51 2nux h ALA 241 Ca 0.04 -0.35 0.09 0.00 0.00 0.00 0.00 54.91 54.68 2nux h ALA 241 Cb 0.57 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 2nux h ALA 241 CO 0.04 0.68 0.50 0.82 0.00 0.00 0.00 179.25 181.28 2nux h ILE 242 N 0.93 0.95 -0.84 0.00 2.04 -0.73 -1.02 117.51 118.85 2nux h ILE 242 Ca 0.14 -0.29 0.10 0.00 1.00 0.00 0.00 64.86 65.81 2nux h ILE 242 Cb 0.68 0.02 -0.07 0.00 -0.74 0.00 0.00 36.82 36.70 2nux h ILE 242 CO 0.05 0.16 0.48 1.88 0.00 0.00 0.00 178.15 180.72 2nux h TYR 243 N 0.85 0.87 -0.20 1.37 -1.99 -1.53 0.96 116.97 117.31 2nux h TYR 243 Ca 0.39 0.03 -0.06 0.00 2.00 0.00 0.00 58.73 61.10 2nux h TYR 243 Cb 0.31 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 38.77 2nux h TYR 243 CO -0.05 0.36 -0.09 0.28 -0.00 0.00 0.00 178.16 178.66 2nux h VAL 244 N 0.80 1.30 0.00 -2.88 2.07 -1.32 -3.22 116.25 113.01 2nux h VAL 244 Ca 0.40 -1.14 -0.06 0.00 0.82 0.00 0.00 66.70 66.72 2nux h VAL 244 Cb 0.37 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 2nux h VAL 244 CO -0.25 0.35 -0.30 -0.07 0.02 0.00 0.00 177.57 177.32 2nux h LEU 245 N 0.12 0.00 -0.93 2.57 3.38 -0.57 -2.44 115.31 117.44 2nux h LEU 245 Ca 0.05 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2nux h LEU 245 Cb 0.57 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 2nux h LEU 245 CO 0.03 0.30 0.17 0.58 0.09 0.00 0.00 178.44 179.61 2nux h VAL 246 N 0.00 1.24 0.05 1.22 2.07 -0.84 0.21 116.25 120.20 2nux h VAL 246 Ca -0.00 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 2nux h VAL 246 Cb 0.62 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2nux h VAL 246 CO 0.04 0.33 -0.03 -1.13 0.02 0.00 0.00 177.57 176.80 2nux h ASN 247 N 0.92 -0.06 0.03 0.57 -1.24 -1.50 0.66 115.58 114.97 2nux h ASN 247 Ca 0.20 -0.26 0.01 0.00 0.71 0.00 0.00 56.30 56.96 2nux h ASN 247 Cb 0.30 0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.34 2nux h ASN 247 CO -0.00 0.23 -0.11 -0.33 -1.29 0.00 0.00 177.43 175.93 2nux h GLU 248 N -0.36 -0.20 0.03 6.67 4.39 -1.16 -0.04 114.58 123.90 2nux h GLU 248 Ca -0.01 0.01 -0.25 0.00 0.34 0.00 0.00 59.36 59.46 2nux h GLU 248 Cb 0.32 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 2nux h GLU 248 CO 0.01 -0.13 -1.26 0.74 -1.16 0.00 0.00 179.01 177.20 2nux h PHE 249 N -0.21 0.10 -0.01 4.33 -1.00 -0.66 -3.38 116.94 116.11 2nux h PHE 249 Ca 0.03 -0.07 0.00 0.00 2.81 0.00 0.00 57.97 60.74 2nux h PHE 249 Cb 0.24 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.80 2nux h PHE 249 CO -0.16 1.07 -0.39 1.04 -1.61 0.00 0.00 178.31 178.27 2nux n GLN 250 N -3.30 2.06 -1.00 1.51 1.13 0.22 -5.02 117.38 112.97 2nux n GLN 250 Ca -0.07 -0.52 -0.00 0.00 -1.94 0.00 0.00 57.00 54.47 2nux n GLN 250 Cb 0.99 -1.18 -0.00 0.00 0.11 0.00 0.00 30.24 30.15 2nux n GLN 250 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2nux n GLY 251 N 1.13 0.45 3.14 1.08 0.00 -0.03 -4.99 105.19 105.97 2nux n GLY 251 Ca 0.05 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 2nux n GLY 251 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2nux s TYR 252 N -1.90 0.87 0.02 1.61 -0.85 -1.25 -5.04 117.35 110.81 2nux s TYR 252 Ca 0.00 -0.71 -0.26 0.00 -0.52 0.00 0.00 57.07 55.59 2nux s TYR 252 Cb 0.00 -0.50 -0.05 0.00 0.38 0.00 0.00 41.96 41.79 2nux s TYR 252 CO 0.00 -0.08 0.79 0.34 -1.52 0.00 0.00 175.55 175.08 2nux s ASP 253 N -2.40 7.21 -0.19 -0.18 2.15 -1.26 -3.49 116.67 118.51 2nux s ASP 253 Ca 0.03 1.45 0.15 0.00 0.43 0.00 0.00 52.55 54.61 2nux s ASP 253 Cb -0.02 -2.48 0.40 0.00 -0.30 0.00 0.00 42.92 40.53 2nux s ASP 253 CO -0.02 -0.05 1.27 1.33 -0.17 0.00 0.00 175.17 177.54 2nux n VAL 254 N 3.12 2.16 -4.66 1.11 0.24 -1.26 -4.91 118.33 114.12 2nux n VAL 254 Ca -0.01 -2.54 0.00 0.00 -2.04 0.00 0.00 64.34 59.75 2nux n VAL 254 Cb 0.50 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 2nux n VAL 254 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2nux n GLY 255 N -1.14 2.11 3.22 7.63 0.00 -1.26 -4.15 105.19 111.59 2nux n GLY 255 Ca 0.21 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 2nux n GLY 255 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nux s TYR 256 N 0.00 1.10 0.99 1.61 2.02 -0.48 -4.81 117.35 117.78 2nux s TYR 256 Ca 0.00 -0.86 -0.17 0.00 -0.37 0.00 0.00 57.07 55.67 2nux s TYR 256 Cb 0.00 -0.60 0.23 0.00 -0.40 0.00 0.00 41.96 41.19 2nux s TYR 256 CO 0.00 -0.06 1.14 -0.35 -1.57 0.00 0.00 175.55 174.71 2nux n PRO 257 N -0.14 -1.86 -4.92 -1.71 -0.04 -1.26 -2.12 135.00 122.95 2nux n PRO 257 Ca -0.10 -1.79 -0.33 0.00 -0.04 0.00 0.00 63.50 61.24 2nux n PRO 257 Cb 0.61 -1.35 -0.15 0.00 -0.04 0.00 0.00 33.50 32.57 2nux n PRO 257 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2nux s ARG 258 N -5.53 3.24 0.35 0.54 3.52 -1.18 -4.59 118.95 115.30 2nux s ARG 258 Ca 0.68 -0.77 -0.27 0.00 -0.13 0.00 0.00 55.73 55.24 2nux s ARG 258 Cb -0.04 -2.50 -0.12 0.00 -1.56 0.00 0.00 34.95 30.73 2nux s ARG 258 CO 0.49 0.18 1.08 -2.30 -0.81 0.00 0.00 175.30 173.94 2nux n PRO 259 N 3.59 1.54 0.00 5.12 -0.02 -1.26 -1.29 135.00 142.68 2nux n PRO 259 Ca -0.19 0.55 0.07 0.00 -2.02 0.00 0.00 63.50 61.90 2nux n PRO 259 Cb 0.53 -2.04 0.34 0.00 -0.02 0.00 0.00 33.50 32.32 2nux n PRO 259 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2nux n PRO 260 N 0.47 0.23 -2.80 0.52 -0.04 -1.26 -4.94 135.00 127.18 2nux n PRO 260 Ca 0.08 0.14 -0.43 0.00 -0.04 0.00 0.00 63.50 63.25 2nux n PRO 260 Cb 0.36 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.30 2nux n PRO 260 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2nux s ILE 261 N -2.48 4.56 0.31 0.52 -1.09 -0.41 -4.98 121.20 117.63 2nux s ILE 261 Ca 0.14 -1.86 -0.29 0.00 -2.23 0.00 0.00 60.65 56.40 2nux s ILE 261 Cb 0.09 -4.96 -0.10 0.00 -1.58 0.00 0.00 42.46 35.91 2nux s ILE 261 CO 0.19 -1.73 1.27 -0.36 -1.23 0.00 0.00 174.94 173.08 2nux s PHE 262 N 3.03 3.17 0.56 3.97 0.40 -1.26 -3.08 117.98 124.77 2nux s PHE 262 Ca 0.43 1.44 -0.19 0.00 -0.60 0.00 0.00 56.93 58.02 2nux s PHE 262 Cb -0.01 -3.60 -0.05 0.00 0.51 0.00 0.00 43.02 39.87 2nux s PHE 262 CO -0.03 -1.62 1.12 -2.14 0.70 0.00 0.00 175.22 173.26 2nux s PRO 263 N -1.53 3.29 0.37 0.24 0.02 -1.26 -4.75 135.00 131.38 2nux s PRO 263 Ca 0.49 1.57 -0.26 0.00 0.02 0.00 0.00 61.00 62.81 2nux s PRO 263 Cb -0.38 -2.00 -0.09 0.00 0.02 0.00 0.00 34.50 32.05 2nux s PRO 263 CO 0.49 -0.89 1.19 -0.51 -0.33 0.00 0.00 177.00 176.95 2nux s LEU 264 N -3.95 4.28 0.82 -5.54 1.02 -1.26 -5.02 118.68 109.03 2nux s LEU 264 Ca 0.72 2.42 -0.12 0.00 0.02 0.00 0.00 54.13 57.16 2nux s LEU 264 Cb -0.23 -3.90 0.08 0.00 0.02 0.00 0.00 46.19 42.16 2nux s LEU 264 CO 0.29 -0.60 1.14 0.42 0.02 0.00 0.00 176.35 177.63 2nux s THR 265 N -1.33 2.39 0.37 5.49 -4.23 -1.26 -4.74 115.64 112.33 2nux s THR 265 Ca 0.54 0.13 0.04 0.00 -1.18 0.00 0.00 61.69 61.22 2nux s THR 265 Cb -0.33 -3.02 0.26 0.00 1.34 0.00 0.00 72.50 70.75 2nux s THR 265 CO 0.42 -0.16 2.03 0.44 -0.54 0.00 0.00 174.62 176.80 2nux h ASP 266 N -1.13 0.61 -0.14 3.99 3.32 -1.99 0.18 116.42 121.27 2nux h ASP 266 Ca -0.47 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.44 2nux h ASP 266 Cb 1.31 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 2nux h ASP 266 CO 0.64 0.45 -0.31 -0.33 -1.72 0.00 0.00 179.24 177.97 2nux h GLU 267 N 0.72 0.63 -0.14 3.56 3.07 -1.99 -1.93 114.58 118.50 2nux h GLU 267 Ca 0.19 -0.28 -0.20 0.00 -0.50 0.00 0.00 59.36 58.58 2nux h GLU 267 Cb -0.07 -0.02 0.01 0.00 -0.84 0.00 0.00 28.75 27.84 2nux h GLU 267 CO -0.04 0.87 -0.68 0.93 -1.40 0.00 0.00 179.01 178.69 2nux h GLU 268 N 0.54 0.71 -0.37 2.33 5.08 -1.72 -2.07 114.58 119.08 2nux h GLU 268 Ca 0.06 -0.58 -0.01 0.00 -1.00 0.00 0.00 59.36 57.84 2nux h GLU 268 Cb 0.80 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 2nux h GLU 268 CO 0.07 1.19 0.20 0.00 -1.00 0.00 0.00 179.01 179.46 2nux h ALA 269 N 0.53 0.48 -0.39 3.43 0.00 -0.60 -0.22 119.26 122.49 2nux h ALA 269 Ca -0.04 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 2nux h ALA 269 Cb 1.31 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 2nux h ALA 269 CO 0.14 0.01 -0.10 -0.07 0.00 0.00 0.00 179.25 179.23 2nux h LEU 270 N 0.47 0.67 -1.12 0.00 4.07 -1.40 -1.59 115.31 116.41 2nux h LEU 270 Ca 0.13 -0.18 -0.07 0.00 0.08 0.00 0.00 57.88 57.84 2nux h LEU 270 Cb 0.07 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.62 2nux h LEU 270 CO -0.02 0.80 -0.13 -1.28 -1.08 0.00 0.00 178.44 176.73 2nux h SER 271 N 0.62 0.45 -0.14 -0.43 0.87 -0.93 -1.32 113.55 112.67 2nux h SER 271 Ca 0.11 -0.12 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 2nux h SER 271 Cb 0.54 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2nux h SER 271 CO 0.03 0.61 -0.22 0.25 -0.53 0.00 0.00 176.83 176.98 2nux h LEU 272 N 0.43 0.44 -0.73 2.23 5.85 -0.65 -2.40 115.31 120.48 2nux h LEU 272 Ca 0.08 -0.53 -0.02 0.00 0.84 0.00 0.00 57.88 58.25 2nux h LEU 272 Cb 0.49 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 2nux h LEU 272 CO 0.03 0.88 0.38 0.11 -0.34 0.00 0.00 178.44 179.50 2nux h LYS 273 N 0.01 1.03 -0.54 1.25 1.57 -1.10 -0.97 116.57 117.82 2nux h LYS 273 Ca 0.01 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 2nux h LYS 273 Cb 0.79 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 2nux h LYS 273 CO 0.05 0.79 0.27 -0.09 -0.57 0.00 0.00 179.45 179.89 2nux h ARG 274 N 1.01 0.77 -0.02 3.15 2.43 -1.28 -2.00 114.38 118.44 2nux h ARG 274 Ca 0.25 -0.11 -0.12 0.00 -0.81 0.00 0.00 59.98 59.19 2nux h ARG 274 Cb 0.07 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2nux h ARG 274 CO -0.04 0.63 -0.57 1.49 -1.51 0.00 0.00 179.97 179.97 2nux h GLU 275 N 0.73 0.05 -0.00 0.20 4.81 -0.95 -3.18 114.58 116.23 2nux h GLU 275 Ca 0.19 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2nux h GLU 275 Cb 0.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2nux h GLU 275 CO -0.02 0.61 -0.65 0.44 -0.73 0.00 0.00 179.01 178.65 2nux n ILE 276 N -3.87 0.00 -0.20 2.32 -5.35 -0.41 -4.53 119.36 107.33 2nux n ILE 276 Ca -0.01 -0.04 -0.03 0.00 -0.27 0.00 0.00 62.75 62.40 2nux n ILE 276 Cb 0.58 0.64 0.04 0.00 -1.74 0.00 0.00 39.64 39.15 2nux n ILE 276 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 2nux h GLU 277 N 0.38 -0.09 -0.87 6.28 4.57 -1.34 0.13 114.58 123.65 2nux h GLU 277 Ca 0.00 0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.27 2nux h GLU 277 Cb 0.53 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.07 2nux h GLU 277 CO 0.00 -0.06 0.56 -1.35 -1.18 0.00 0.00 179.01 176.99 2nux h PRO 278 N -0.09 0.85 -0.26 0.92 0.11 -1.80 -0.92 132.00 130.81 2nux h PRO 278 Ca 0.27 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 66.17 2nux h PRO 278 Cb 0.51 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 2nux h PRO 278 CO -0.65 0.56 -0.48 -0.07 -0.21 0.00 0.00 178.00 177.15 2nux h LEU 279 N 0.88 0.76 -0.53 2.35 3.38 -1.22 -2.83 115.31 118.10 2nux h LEU 279 Ca 0.39 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2nux h LEU 279 Cb 0.36 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2nux h LEU 279 CO -0.16 1.12 0.24 0.50 0.09 0.00 0.00 178.44 180.23 2nux h LYS 280 N 0.56 0.77 -0.05 1.13 3.64 0.11 -1.41 116.57 121.32 2nux h LYS 280 Ca 0.03 -0.12 0.04 0.00 -1.27 0.00 0.00 60.65 59.32 2nux h LYS 280 Cb 1.04 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.68 2nux h LYS 280 CO 0.10 0.65 -0.22 0.00 -2.27 0.00 0.00 179.45 177.71 2nux h ARG 281 N 0.71 -0.31 -0.80 1.90 3.08 -1.16 -1.32 114.38 116.48 2nux h ARG 281 Ca 0.18 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.28 2nux h ARG 281 Cb 0.14 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 2nux h ARG 281 CO -0.02 -0.21 0.51 0.87 -1.07 0.00 0.00 179.97 180.05 2nux h LYS 282 N -0.32 0.96 0.46 0.04 1.57 -1.29 -2.41 116.57 115.59 2nux h LYS 282 Ca 0.08 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2nux h LYS 282 Cb 0.43 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2nux h LYS 282 CO -0.23 0.64 -0.22 0.82 -0.57 0.00 0.00 179.45 179.88 2nux h ILE 283 N 0.99 0.54 0.00 1.86 2.04 -0.94 -2.54 117.51 119.46 2nux h ILE 283 Ca 0.32 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 66.04 2nux h ILE 283 Cb 0.02 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2nux h ILE 283 CO -0.12 0.03 0.00 0.00 0.00 0.00 0.00 178.15 178.06 2nux n GLN 284 N -5.33 0.07 0.03 2.37 6.02 -0.53 -0.72 117.38 119.30 2nux n GLN 284 Ca -0.11 0.25 -0.21 0.00 -0.01 0.00 0.00 57.00 56.92 2nux n GLN 284 Cb 0.28 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 29.90 2nux n GLN 284 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 2nux h GLU 285 N 0.00 0.30 0.00 -1.09 4.81 -1.22 -2.92 114.58 114.47 2nux h GLU 285 Ca 0.00 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2nux h GLU 285 Cb 0.15 0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.72 2nux h GLU 285 CO 0.00 1.21 -0.72 -0.07 -0.73 0.00 0.00 179.01 178.70 2nux h LEU 286 N 0.08 0.00 0.00 1.64 3.38 -0.89 -3.42 115.31 116.10 2nux h LEU 286 Ca -0.37 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.43 2nux h LEU 286 Cb 2.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.80 2nux h LEU 286 CO 0.13 0.07 -0.92 0.52 0.09 0.00 0.00 178.44 178.32 2nux n VAL 287 N -2.34 0.35 -0.35 1.22 0.31 0.10 -5.10 118.33 112.51 2nux n VAL 287 Ca 0.02 0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 2nux n VAL 287 Cb 0.48 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.85 2nux n VAL 287 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92