#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ixx n PRO 3 N 7.55 -0.32 -1.94 0.00 -0.02 -1.26 -4.89 135.00 134.13 1ixx n PRO 3 Ca 0.17 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.23 1ixx n PRO 3 Cb 0.46 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.92 1ixx n PRO 3 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1ixx s SER 4 N -1.18 6.58 0.00 2.55 0.01 -1.26 -2.73 113.70 117.67 1ixx s SER 4 Ca 0.00 2.69 0.00 0.00 1.31 0.00 0.00 55.95 59.95 1ixx s SER 4 Cb 0.00 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1ixx s SER 4 CO 0.00 -0.79 0.00 0.47 0.41 0.00 0.00 173.24 173.33 1ixx n ASP 5 N 3.11 0.00 -4.74 2.44 8.00 -1.26 -5.03 116.55 119.07 1ixx n ASP 5 Ca 0.10 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.20 1ixx n ASP 5 Cb 0.39 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.44 1ixx n ASP 5 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1ixx s TRP 6 N -1.35 3.82 -0.15 1.24 0.52 -1.11 -4.83 118.94 117.08 1ixx s TRP 6 Ca 0.00 1.74 -0.07 0.00 0.02 0.00 0.00 56.10 57.79 1ixx s TRP 6 Cb 0.00 -2.99 -0.04 0.00 -1.15 0.00 0.00 33.47 29.29 1ixx s TRP 6 CO 0.00 0.27 0.10 -1.12 0.02 0.00 0.00 176.95 176.22 1ixx s SER 7 N -0.21 6.04 0.04 2.95 0.01 0.18 -4.61 113.70 118.10 1ixx s SER 7 Ca 0.44 0.28 -0.16 0.00 1.31 0.00 0.00 55.95 57.82 1ixx s SER 7 Cb -0.23 -1.98 -0.06 0.00 0.21 0.00 0.00 66.02 63.95 1ixx s SER 7 CO 0.29 0.29 0.47 -0.94 0.41 0.00 0.00 173.24 173.75 1ixx s SER 8 N -0.31 6.87 -0.25 2.44 1.04 -1.26 -0.97 113.70 121.26 1ixx s SER 8 Ca 0.10 1.05 -0.04 0.00 0.48 0.00 0.00 55.95 57.53 1ixx s SER 8 Cb -0.12 -2.28 0.14 0.00 0.10 0.00 0.00 66.02 63.86 1ixx s SER 8 CO 0.01 0.28 0.48 -0.47 0.98 0.00 0.00 173.24 174.53 1ixx s TYR 9 N -1.14 -1.08 -1.33 5.02 5.04 -0.33 -4.96 117.35 118.57 1ixx s TYR 9 Ca 0.27 1.45 -0.03 0.00 -2.44 0.00 0.00 57.07 56.32 1ixx s TYR 9 Cb -0.17 0.34 -0.00 0.00 0.35 0.00 0.00 41.96 42.48 1ixx s TYR 9 CO 0.16 -0.69 0.58 0.39 -1.34 0.00 0.00 175.55 174.65 1ixx n GLU 10 N 5.40 -3.56 -2.67 4.97 -0.58 -1.26 -1.88 120.64 121.07 1ixx n GLU 10 Ca -0.05 0.49 -0.18 0.00 -0.42 0.00 0.00 57.16 57.00 1ixx n GLU 10 Cb 0.50 -4.72 0.02 0.00 -0.57 0.00 0.00 31.44 26.67 1ixx n GLU 10 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ixx n GLY 11 N -1.78 -0.33 2.98 0.62 0.00 -1.26 -4.97 105.19 100.45 1ixx n GLY 11 Ca -0.27 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 1ixx n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ixx s HIS 12 N -2.99 0.14 -0.10 1.61 3.76 -0.79 -1.10 115.29 115.82 1ixx s HIS 12 Ca 0.15 -0.29 -0.02 0.00 -0.15 0.00 0.00 55.06 54.76 1ixx s HIS 12 Cb -0.07 -0.11 -0.03 0.00 1.11 0.00 0.00 32.58 33.48 1ixx s HIS 12 CO 0.19 -0.16 -0.03 0.00 -0.85 0.00 0.00 174.74 173.89 1ixx s TYR 14 N -0.45 0.96 -0.22 0.00 1.51 -0.14 -1.19 117.35 117.81 1ixx s TYR 14 Ca 0.07 -0.30 -0.09 0.00 -1.01 0.00 0.00 57.07 55.74 1ixx s TYR 14 Cb -0.12 -0.58 0.09 0.00 -0.11 0.00 0.00 41.96 41.24 1ixx s TYR 14 CO 0.02 -0.00 0.49 0.21 -1.11 0.00 0.00 175.55 175.16 1ixx s LYS 15 N -0.88 0.42 0.16 -0.62 2.20 -1.01 -0.64 119.74 119.37 1ixx s LYS 15 Ca 0.00 1.09 -0.26 0.00 -0.36 0.00 0.00 55.97 56.43 1ixx s LYS 15 Cb -0.07 0.34 -0.08 0.00 -1.51 0.00 0.00 37.83 36.52 1ixx s LYS 15 CO 0.01 -0.21 0.82 -2.14 -0.36 0.00 0.00 175.35 173.46 1ixx s PRO 16 N 2.32 4.62 0.08 4.03 0.02 -1.26 -1.45 135.00 143.36 1ixx s PRO 16 Ca -0.05 1.23 0.08 0.00 0.02 0.00 0.00 61.00 62.28 1ixx s PRO 16 Cb -0.11 -3.29 -0.04 0.00 0.02 0.00 0.00 34.50 31.09 1ixx s PRO 16 CO -0.15 0.49 -0.17 -0.06 -0.33 0.00 0.00 177.00 176.78 1ixx s PHE 17 N -0.90 2.57 -2.13 6.54 0.40 0.19 -4.98 117.98 119.66 1ixx s PHE 17 Ca 0.38 -0.25 0.18 0.00 -0.60 0.00 0.00 56.93 56.64 1ixx s PHE 17 Cb -0.23 -1.41 0.20 0.00 0.51 0.00 0.00 43.02 42.09 1ixx s PHE 17 CO 0.27 0.33 1.13 -1.13 0.70 0.00 0.00 175.22 176.52 1ixx n SER 18 N 1.15 2.67 -4.59 1.36 3.41 -1.26 -3.16 113.62 113.21 1ixx n SER 18 Ca -0.16 -1.79 -0.43 0.00 -0.26 0.00 0.00 58.87 56.23 1ixx n SER 18 Cb 0.52 -0.06 -0.04 0.00 -0.26 0.00 0.00 64.21 64.37 1ixx n SER 18 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1ixx s GLU 19 N -1.42 3.73 0.14 4.33 -1.05 -1.26 -4.96 118.70 118.22 1ixx s GLU 19 Ca 0.24 0.44 -0.31 0.00 -0.15 0.00 0.00 54.97 55.19 1ixx s GLU 19 Cb 0.16 -3.85 -0.09 0.00 -0.44 0.00 0.00 34.13 29.90 1ixx s GLU 19 CO 0.23 -1.07 1.54 -2.14 0.95 0.00 0.00 175.26 174.78 1ixx s PRO 20 N 3.63 4.23 0.08 -4.83 0.02 -1.26 -4.77 135.00 132.10 1ixx s PRO 20 Ca 0.38 2.30 -0.00 0.00 0.02 0.00 0.00 61.00 63.70 1ixx s PRO 20 Cb -0.11 -3.23 -0.04 0.00 0.02 0.00 0.00 34.50 31.14 1ixx s PRO 20 CO 0.22 -0.59 -0.03 0.15 -0.33 0.00 0.00 177.00 176.42 1ixx s LYS 21 N 1.33 0.73 0.91 5.54 1.02 -0.61 -4.82 119.74 123.84 1ixx s LYS 21 Ca 0.69 -1.29 -0.14 0.00 0.02 0.00 0.00 55.97 55.25 1ixx s LYS 21 Cb -0.42 0.08 0.17 0.00 -0.52 0.00 0.00 37.83 37.14 1ixx s LYS 21 CO 0.31 -0.10 1.27 0.54 -0.92 0.00 0.00 175.35 176.45 1ixx s ASN 22 N -2.98 3.50 0.11 2.83 4.22 -1.26 -2.23 114.94 119.13 1ixx s ASN 22 Ca 0.11 0.33 -0.24 0.00 -2.14 0.00 0.00 52.86 50.92 1ixx s ASN 22 Cb 0.07 -0.49 -0.09 0.00 1.28 0.00 0.00 41.25 42.02 1ixx s ASN 22 CO -0.07 -2.50 1.69 -0.25 -2.04 0.00 0.00 177.10 173.94 1ixx h TRP 23 N -1.44 -0.26 -0.38 1.54 7.01 -1.22 -0.88 115.95 120.33 1ixx h TRP 23 Ca -0.44 0.01 0.06 0.00 2.11 0.00 0.00 58.89 60.63 1ixx h TRP 23 Cb 1.26 0.12 -0.06 0.00 -2.10 0.00 0.00 29.16 28.38 1ixx h TRP 23 CO -0.78 -0.16 0.05 0.00 -2.79 0.00 0.00 178.44 174.76 1ixx h ALA 24 N 0.78 0.39 -0.34 2.65 0.00 -1.94 -1.44 119.26 119.36 1ixx h ALA 24 Ca 0.04 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1ixx h ALA 24 Cb 0.23 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1ixx h ALA 24 CO -0.10 -0.35 -0.26 -0.44 0.00 0.00 0.00 179.25 178.09 1ixx h ASP 25 N 0.16 0.70 -0.21 0.00 5.19 -1.91 -2.49 116.42 117.85 1ixx h ASP 25 Ca 0.18 -0.26 -0.01 0.00 -0.62 0.00 0.00 57.03 56.32 1ixx h ASP 25 Cb 0.24 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 1ixx h ASP 25 CO -0.27 0.93 0.08 0.00 -3.12 0.00 0.00 179.24 176.87 1ixx h ALA 26 N 1.12 0.27 -0.45 3.45 0.00 -0.69 -0.61 119.26 122.35 1ixx h ALA 26 Ca 0.08 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1ixx h ALA 26 Cb 0.75 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1ixx h ALA 26 CO 0.06 -0.14 0.27 1.49 0.00 0.00 0.00 179.25 180.93 1ixx h GLU 27 N 0.18 0.52 -0.66 0.00 4.57 -1.23 -1.02 114.58 116.94 1ixx h GLU 27 Ca 0.07 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.13 1ixx h GLU 27 Cb 0.18 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 1ixx h GLU 27 CO -0.01 0.35 0.08 -0.97 -1.18 0.00 0.00 179.01 177.28 1ixx h ASN 28 N 0.54 1.07 -0.81 1.04 -1.24 -1.33 -1.62 115.58 113.22 1ixx h ASN 28 Ca 0.18 -0.27 -0.02 0.00 0.71 0.00 0.00 56.30 56.90 1ixx h ASN 28 Cb 0.00 -0.28 -0.04 0.00 0.73 0.00 0.00 38.32 38.73 1ixx h ASN 28 CO -0.08 1.07 0.43 0.15 -1.29 0.00 0.00 177.43 177.71 1ixx h PHE 29 N 1.03 1.14 -0.62 0.67 3.04 -0.74 -2.39 116.94 119.06 1ixx h PHE 29 Ca 0.20 -0.03 -0.07 0.00 3.98 0.00 0.00 57.97 62.04 1ixx h PHE 29 Cb 0.47 -0.36 -0.02 0.00 2.56 0.00 0.00 35.95 38.60 1ixx h PHE 29 CO 0.03 0.80 0.12 0.00 -2.02 0.00 0.00 178.31 177.25 1ixx h THR 31 N 0.92 1.08 -0.67 0.00 1.35 -0.81 -2.65 112.91 112.14 1ixx h THR 31 Ca 0.19 -0.51 -0.36 0.00 -0.55 0.00 0.00 66.41 65.18 1ixx h THR 31 Cb 0.40 1.28 -0.21 0.00 -1.73 0.00 0.00 68.15 67.89 1ixx h THR 31 CO 0.01 0.14 0.26 0.00 -0.25 0.00 0.00 175.52 175.68 1ixx n GLN 32 N -4.33 2.10 0.00 4.72 10.64 -1.03 -4.13 117.38 125.34 1ixx n GLN 32 Ca -0.03 -3.15 0.03 0.00 -1.83 0.00 0.00 57.00 52.02 1ixx n GLN 32 Cb 0.22 -2.01 -0.02 0.00 -0.86 0.00 0.00 30.24 27.57 1ixx n GLN 32 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 1ixx n GLN 33 N -1.12 4.37 0.00 2.61 -0.06 -1.00 -5.03 117.38 117.16 1ixx n GLN 33 Ca 0.47 -0.13 0.00 0.00 -2.00 0.00 0.00 57.00 55.33 1ixx n GLN 33 Cb 1.29 -0.82 0.00 0.00 -4.06 0.00 0.00 30.24 26.65 1ixx n GLN 33 CO 0.00 0.00 0.00 1.58 -0.20 0.00 0.00 177.06 178.44 1ixx n HIS 34 N -0.91 0.00 -1.91 3.69 -0.00 -1.25 -5.02 115.22 109.81 1ixx n HIS 34 Ca 0.01 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.78 1ixx n HIS 34 Cb 0.10 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 29.95 1ixx n HIS 34 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ixx s ALA 35 N -1.78 3.66 0.00 1.57 0.00 -1.26 -1.05 121.76 122.90 1ixx s ALA 35 Ca 0.00 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1ixx s ALA 35 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1ixx s ALA 35 CO 0.00 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.32 1ixx n GLY 36 N 1.95 0.52 3.74 0.00 0.00 -1.26 -4.83 105.19 105.31 1ixx n GLY 36 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1ixx n GLY 36 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ixx s GLY 37 N -2.00 2.80 0.15 -0.02 0.00 -0.22 -4.37 107.32 103.66 1ixx s GLY 37 Ca 0.00 0.92 -0.02 0.00 0.00 0.00 0.00 44.72 45.63 1ixx s GLY 37 CO 0.00 1.75 0.23 1.42 0.00 0.00 0.00 173.10 176.49 1ixx n HIS 38 N 2.16 -0.99 -2.99 1.90 8.25 -0.27 -3.15 115.22 120.12 1ixx n HIS 38 Ca 0.03 -0.93 -0.38 0.00 -0.26 0.00 0.00 57.72 56.18 1ixx n HIS 38 Cb 0.45 0.26 -0.06 0.00 1.12 0.00 0.00 29.99 31.76 1ixx n HIS 38 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1ixx s LEU 39 N 0.00 4.44 0.16 2.41 2.96 -1.26 -0.61 118.68 126.78 1ixx s LEU 39 Ca 0.11 1.59 -0.34 0.00 -0.22 0.00 0.00 54.13 55.27 1ixx s LEU 39 Cb -0.01 -3.56 -0.15 0.00 0.50 0.00 0.00 46.19 42.97 1ixx s LEU 39 CO 0.08 0.08 1.37 0.55 -1.32 0.00 0.00 176.35 177.11 1ixx n VAL 40 N 1.02 0.42 -4.48 1.68 3.14 -0.04 -4.16 118.33 115.91 1ixx n VAL 40 Ca -0.03 -0.11 -0.33 0.00 -2.96 0.00 0.00 64.34 60.92 1ixx n VAL 40 Cb 0.50 -1.14 -0.16 0.00 -1.06 0.00 0.00 33.84 31.98 1ixx n VAL 40 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1ixx s SER 41 N 0.42 3.42 -0.18 6.55 1.04 -1.26 -0.63 113.70 123.06 1ixx s SER 41 Ca 0.77 -0.54 -0.19 0.00 0.48 0.00 0.00 55.95 56.47 1ixx s SER 41 Cb -0.80 -1.52 -0.03 0.00 0.10 0.00 0.00 66.02 63.77 1ixx s SER 41 CO 0.47 0.06 0.54 -0.36 0.98 0.00 0.00 173.24 174.93 1ixx s PHE 42 N 0.92 3.40 -0.05 5.02 0.08 -1.26 -4.93 117.98 121.17 1ixx s PHE 42 Ca -0.04 0.84 0.07 0.00 0.12 0.00 0.00 56.93 57.92 1ixx s PHE 42 Cb -0.15 -2.68 0.11 0.00 -0.57 0.00 0.00 43.02 39.74 1ixx s PHE 42 CO -0.03 -0.06 0.99 1.04 -0.10 0.00 0.00 175.22 177.07 1ixx n GLN 43 N 4.60 1.55 -3.61 0.44 3.00 -1.26 -5.05 117.38 117.05 1ixx n GLN 43 Ca -0.04 -1.72 -0.03 0.00 -0.01 0.00 0.00 57.00 55.19 1ixx n GLN 43 Cb 0.51 -1.06 -0.02 0.00 0.00 0.00 0.00 30.24 29.67 1ixx n GLN 43 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1ixx s SER 44 N -1.59 -0.11 0.18 1.08 1.04 -1.26 -5.03 113.70 108.01 1ixx s SER 44 Ca 0.12 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1ixx s SER 44 Cb 0.11 0.12 0.07 0.00 0.10 0.00 0.00 66.02 66.42 1ixx s SER 44 CO 0.01 -0.19 1.44 0.77 0.98 0.00 0.00 173.24 176.25 1ixx h SER 45 N 2.00 0.40 -0.07 7.02 4.64 -1.99 -2.80 113.55 122.75 1ixx h SER 45 Ca -0.09 -0.27 -0.12 0.00 -0.47 0.00 0.00 61.79 60.84 1ixx h SER 45 Cb 1.16 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 1ixx h SER 45 CO 0.22 1.01 -0.33 -0.08 -0.87 0.00 0.00 176.83 176.79 1ixx h GLU 46 N 0.22 0.55 -0.56 4.77 4.22 -1.98 0.12 114.58 121.93 1ixx h GLU 46 Ca -0.03 -0.25 -0.04 0.00 0.08 0.00 0.00 59.36 59.12 1ixx h GLU 46 Cb 1.33 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 1ixx h GLU 46 CO 0.12 0.81 0.19 1.49 -2.18 0.00 0.00 179.01 179.45 1ixx h GLU 47 N 0.47 0.85 -0.41 1.92 4.81 -1.95 -0.64 114.58 119.63 1ixx h GLU 47 Ca 0.05 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.08 1ixx h GLU 47 Cb 0.80 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 1ixx h GLU 47 CO 0.06 0.76 0.11 0.00 -0.73 0.00 0.00 179.01 179.22 1ixx h ALA 48 N 1.05 0.54 -0.35 2.92 0.00 -1.21 -1.71 119.26 120.51 1ixx h ALA 48 Ca 0.18 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1ixx h ALA 48 Cb 0.25 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1ixx h ALA 48 CO -0.01 0.20 0.03 -0.44 0.00 0.00 0.00 179.25 179.03 1ixx h ASP 49 N 0.52 -0.08 0.40 0.00 3.32 -0.37 0.18 116.42 120.39 1ixx h ASP 49 Ca 0.13 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 1ixx h ASP 49 Cb 0.29 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1ixx h ASP 49 CO -0.00 -0.00 -0.43 0.15 -1.72 0.00 0.00 179.24 177.24 1ixx h PHE 50 N 0.13 -1.17 -0.71 4.55 3.57 -0.91 0.05 116.94 122.45 1ixx h PHE 50 Ca 0.17 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.73 1ixx h PHE 50 Cb 0.22 0.46 -0.05 0.00 2.79 0.00 0.00 35.95 39.36 1ixx h PHE 50 CO -0.22 -0.58 0.42 0.28 -2.23 0.00 0.00 178.31 175.98 1ixx h VAL 51 N -0.85 1.02 -0.29 1.41 2.07 -1.05 0.23 116.25 118.79 1ixx h VAL 51 Ca -0.04 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1ixx h VAL 51 Cb 0.76 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1ixx h VAL 51 CO -0.08 0.14 0.14 0.58 0.02 0.00 0.00 177.57 178.38 1ixx h VAL 52 N 0.78 1.15 -0.63 2.57 2.07 -0.44 0.17 116.25 121.92 1ixx h VAL 52 Ca 0.30 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1ixx h VAL 52 Cb 0.13 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1ixx h VAL 52 CO -0.16 0.15 0.40 0.50 0.02 0.00 0.00 177.57 178.49 1ixx h LYS 53 N 0.34 0.83 -0.19 1.57 3.64 -0.37 0.34 116.57 122.75 1ixx h LYS 53 Ca 0.10 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1ixx h LYS 53 Cb 0.11 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1ixx h LYS 53 CO -0.01 0.57 0.09 1.25 -2.27 0.00 0.00 179.45 179.08 1ixx h LEU 54 N 0.85 0.14 -0.86 5.20 5.85 -0.12 0.24 115.31 126.62 1ixx h LEU 54 Ca 0.23 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 1ixx h LEU 54 Cb -0.07 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 1ixx h LEU 54 CO -0.05 0.11 0.52 0.00 -0.34 0.00 0.00 178.44 178.68 1ixx h ALA 55 N 1.09 1.09 -0.11 1.25 0.00 -0.09 0.43 119.26 122.92 1ixx h ALA 55 Ca 0.07 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 1ixx h ALA 55 Cb 0.01 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.47 1ixx h ALA 55 CO -0.05 0.55 -0.58 0.35 0.00 0.00 0.00 179.25 179.52 1ixx h PHE 56 N 1.18 0.80 -0.86 0.00 3.04 -0.55 -0.33 116.94 120.21 1ixx h PHE 56 Ca 0.31 -0.36 0.00 0.00 3.98 0.00 0.00 57.97 61.90 1ixx h PHE 56 Cb -0.05 -0.12 -0.04 0.00 2.56 0.00 0.00 35.95 38.29 1ixx h PHE 56 CO -0.00 1.15 0.55 1.96 -2.02 0.00 0.00 178.31 179.94 1ixx h GLN 57 N 0.22 1.15 0.01 1.11 4.20 -0.24 0.34 115.11 121.90 1ixx h GLN 57 Ca -0.04 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 1ixx h GLN 57 Cb 1.23 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.75 1ixx h GLN 57 CO 0.12 0.79 -0.01 1.15 -0.67 0.00 0.00 178.83 180.21 1ixx h THR 58 N 1.18 1.35 -0.12 -0.54 2.02 -0.94 -3.41 112.91 112.44 1ixx h THR 58 Ca 0.31 -1.92 0.00 0.00 0.77 0.00 0.00 66.41 65.58 1ixx h THR 58 Cb -0.09 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.82 1ixx h THR 58 CO -0.06 0.44 0.00 0.49 0.37 0.00 0.00 175.52 176.76 1ixx n PHE 59 N -4.68 0.15 -4.47 3.16 3.72 -0.14 -5.09 117.46 110.11 1ixx n PHE 59 Ca -0.08 -0.43 0.00 0.00 -0.05 0.00 0.00 57.45 56.89 1ixx n PHE 59 Cb 0.36 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 1ixx n PHE 59 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ixx n GLY 60 N -0.06 0.75 3.56 1.37 0.00 0.12 -4.61 105.19 106.31 1ixx n GLY 60 Ca 0.04 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 1ixx n GLY 60 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ixx s HIS 61 N 0.00 2.45 0.06 1.61 5.65 -1.26 -4.28 115.29 119.51 1ixx s HIS 61 Ca 0.00 -0.57 -0.00 0.00 0.25 0.00 0.00 55.06 54.74 1ixx s HIS 61 Cb 0.00 -4.68 0.00 0.00 -1.18 0.00 0.00 32.58 26.73 1ixx s HIS 61 CO 0.00 -1.99 0.08 0.45 -0.65 0.00 0.00 174.74 172.63 1ixx n SER 62 N 9.05 -0.22 -4.38 9.88 2.88 -1.26 -5.02 113.62 124.56 1ixx n SER 62 Ca 0.23 -1.30 -0.32 0.00 -1.33 0.00 0.00 58.87 56.14 1ixx n SER 62 Cb 0.50 0.40 -0.14 0.00 -0.75 0.00 0.00 64.21 64.22 1ixx n SER 62 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1ixx s ILE 63 N -2.49 2.76 -0.03 2.46 -4.36 -1.26 -1.87 121.20 116.41 1ixx s ILE 63 Ca 0.05 -0.81 0.02 0.00 -0.26 0.00 0.00 60.65 59.65 1ixx s ILE 63 Cb -0.00 -2.09 0.01 0.00 1.25 0.00 0.00 42.46 41.63 1ixx s ILE 63 CO 0.03 0.56 -0.08 -0.36 0.24 0.00 0.00 174.94 175.33 1ixx s PHE 64 N -0.23 0.92 0.69 1.37 0.40 0.38 -1.64 117.98 119.87 1ixx s PHE 64 Ca 0.00 -0.24 -0.15 0.00 -0.60 0.00 0.00 56.93 55.94 1ixx s PHE 64 Cb -0.13 -0.68 0.02 0.00 0.51 0.00 0.00 43.02 42.74 1ixx s PHE 64 CO 0.03 -0.12 1.16 -1.58 0.70 0.00 0.00 175.22 175.41 1ixx s TRP 65 N 0.30 2.34 0.20 0.36 0.23 0.26 -0.46 118.94 122.18 1ixx s TRP 65 Ca -0.05 1.58 0.08 0.00 -2.03 0.00 0.00 56.10 55.68 1ixx s TRP 65 Cb -0.09 -3.33 -0.05 0.00 0.03 0.00 0.00 33.47 30.03 1ixx s TRP 65 CO 0.01 -2.14 -0.15 -1.64 0.96 0.00 0.00 176.95 173.99 1ixx s MET 66 N -3.95 1.34 0.00 4.98 -1.94 -0.34 -4.19 119.30 115.20 1ixx s MET 66 Ca 0.71 -1.58 0.00 0.00 -1.71 0.00 0.00 55.69 53.11 1ixx s MET 66 Cb -0.25 -1.17 0.00 0.00 2.01 0.00 0.00 34.83 35.42 1ixx s MET 66 CO 0.42 0.20 0.77 0.41 -0.01 0.00 0.00 175.02 176.81 1ixx n GLY 67 N -0.33 1.30 3.02 -0.03 0.00 0.20 -4.61 105.19 104.75 1ixx n GLY 67 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 1ixx n GLY 67 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ixx s LEU 68 N 0.00 1.62 0.29 0.99 2.96 -1.26 -4.99 118.68 118.29 1ixx s LEU 68 Ca 0.00 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 53.54 1ixx s LEU 68 Cb 0.00 -1.03 -0.04 0.00 0.50 0.00 0.00 46.19 45.62 1ixx s LEU 68 CO 0.00 -0.02 0.17 -0.94 -1.32 0.00 0.00 176.35 174.24 1ixx s SER 69 N 1.14 1.38 -1.58 3.68 1.04 -1.26 -1.39 113.70 116.71 1ixx s SER 69 Ca -0.04 -1.55 -0.06 0.00 0.48 0.00 0.00 55.95 54.78 1ixx s SER 69 Cb -0.14 0.40 0.05 0.00 0.10 0.00 0.00 66.02 66.43 1ixx s SER 69 CO -0.03 -0.90 0.28 0.59 0.98 0.00 0.00 173.24 174.16 1ixx n ASN 70 N -0.91 -0.24 -0.31 7.02 4.13 -1.06 -4.82 115.26 119.07 1ixx n ASN 70 Ca 0.02 -1.18 0.15 0.00 1.68 0.00 0.00 54.58 55.25 1ixx n ASN 70 Cb 0.65 -2.09 0.33 0.00 -1.54 0.00 0.00 39.78 37.12 1ixx n ASN 70 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 1ixx h VAL 71 N -1.63 0.45 0.00 2.41 2.07 -1.73 -3.04 116.25 114.78 1ixx h VAL 71 Ca -0.64 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1ixx h VAL 71 Cb 1.39 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1ixx h VAL 71 CO 0.72 0.07 0.00 0.79 0.02 0.00 0.00 177.57 179.18 1ixx n TRP 72 N -5.05 0.00 -0.18 1.57 8.01 -1.26 -4.75 117.44 115.78 1ixx n TRP 72 Ca 0.23 -0.25 0.01 0.00 -1.31 0.00 0.00 57.50 56.18 1ixx n TRP 72 Cb 0.70 -0.03 0.28 0.00 -2.01 0.00 0.00 31.31 30.25 1ixx n TRP 72 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.69 175.77 1ixx h ASN 73 N 0.00 0.80 -0.41 -0.99 4.21 -1.89 -1.44 115.58 115.86 1ixx h ASN 73 Ca 0.00 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.49 1ixx h ASN 73 Cb 0.33 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 1ixx h ASN 73 CO 0.00 0.57 0.00 0.00 -1.29 0.00 0.00 177.43 176.71 1ixx n GLN 74 N -4.43 2.66 -1.68 0.81 0.00 -1.26 -4.95 117.38 108.53 1ixx n GLN 74 Ca 0.08 -1.78 -0.29 0.00 0.00 0.00 0.00 57.00 55.00 1ixx n GLN 74 Cb 0.04 -1.63 0.09 0.00 0.00 0.00 0.00 30.24 28.74 1ixx n GLN 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ixx s ASN 76 N -4.16 7.02 -0.27 0.00 3.04 -1.26 -5.00 114.94 114.31 1ixx s ASN 76 Ca 0.61 -2.92 -0.29 0.00 0.04 0.00 0.00 52.86 50.30 1ixx s ASN 76 Cb -0.13 -2.34 0.01 0.00 -1.54 0.00 0.00 41.25 37.24 1ixx s ASN 76 CO 0.52 -0.69 1.10 0.26 -3.04 0.00 0.00 177.10 175.26 1ixx s TRP 77 N 1.06 3.14 0.02 0.43 0.52 -1.26 -5.02 118.94 117.83 1ixx s TRP 77 Ca 0.36 1.24 0.05 0.00 0.02 0.00 0.00 56.10 57.77 1ixx s TRP 77 Cb -0.05 -3.55 -0.02 0.00 -1.15 0.00 0.00 33.47 28.70 1ixx s TRP 77 CO -0.04 -0.86 -0.15 -0.65 0.02 0.00 0.00 176.95 175.27 1ixx s GLN 78 N 3.53 1.06 0.45 4.98 -1.52 -1.26 -4.97 119.66 121.92 1ixx s GLN 78 Ca 0.47 -0.69 -0.22 0.00 -1.95 0.00 0.00 55.36 52.97 1ixx s GLN 78 Cb -0.15 -1.06 -0.09 0.00 -0.22 0.00 0.00 33.01 31.49 1ixx s GLN 78 CO 0.13 0.27 1.03 -1.58 -0.25 0.00 0.00 175.29 174.89 1ixx s TRP 79 N -0.66 3.13 0.13 0.91 0.52 -1.26 -4.95 118.94 116.75 1ixx s TRP 79 Ca 0.04 1.61 0.26 0.00 0.02 0.00 0.00 56.10 58.03 1ixx s TRP 79 Cb -0.07 -3.06 1.04 0.00 -1.15 0.00 0.00 33.47 30.23 1ixx s TRP 79 CO 0.01 -0.66 1.87 0.66 0.02 0.00 0.00 176.95 178.84 1ixx h SER 80 N 1.93 0.00 -0.56 2.95 4.64 -2.00 -2.55 113.55 117.96 1ixx h SER 80 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1ixx h SER 80 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1ixx h SER 80 CO 0.60 0.16 0.00 -0.46 -0.87 0.00 0.00 176.83 176.27 1ixx n ASN 81 N -3.32 3.14 -1.96 4.97 6.94 -1.26 -4.93 115.26 118.85 1ixx n ASN 81 Ca 0.00 -1.99 -0.18 0.00 -0.02 0.00 0.00 54.58 52.40 1ixx n ASN 81 Cb 0.39 -0.37 -0.02 0.00 -2.36 0.00 0.00 39.78 37.43 1ixx n ASN 81 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ixx n ALA 82 N 1.22 -0.50 -1.38 -2.53 0.00 -0.96 -4.99 120.51 111.38 1ixx n ALA 82 Ca 0.20 0.16 -0.32 0.00 0.00 0.00 0.00 53.44 53.48 1ixx n ALA 82 Cb 0.50 -1.94 0.07 0.00 0.00 0.00 0.00 19.45 18.09 1ixx n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ixx s ALA 83 N -2.86 2.38 -0.10 0.00 0.00 -1.26 -4.98 121.76 114.94 1ixx s ALA 83 Ca 0.00 0.33 -0.29 0.00 0.00 0.00 0.00 51.96 51.99 1ixx s ALA 83 Cb 0.00 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 1ixx s ALA 83 CO 0.00 -1.54 0.99 1.41 0.00 0.00 0.00 175.76 176.62 1ixx s MET 84 N -4.67 4.42 -0.52 0.00 1.75 -1.26 -4.50 119.30 114.51 1ixx s MET 84 Ca 0.62 1.36 -0.27 0.00 -1.25 0.00 0.00 55.69 56.15 1ixx s MET 84 Cb -0.18 -3.54 0.03 0.00 2.84 0.00 0.00 34.83 33.99 1ixx s MET 84 CO 0.51 -0.30 1.08 -1.17 -0.65 0.00 0.00 175.02 174.50 1ixx s LEU 85 N 1.95 3.72 0.05 4.11 0.20 -1.26 -4.68 118.68 122.77 1ixx s LEU 85 Ca 0.48 0.13 0.00 0.00 0.69 0.00 0.00 54.13 55.42 1ixx s LEU 85 Cb -0.18 -3.22 0.00 0.00 -0.43 0.00 0.00 46.19 42.36 1ixx s LEU 85 CO 0.18 -1.29 0.00 0.54 -0.29 0.00 0.00 176.35 175.49 1ixx n ARG 86 N 7.87 0.00 -2.87 1.98 3.00 -1.26 -5.04 116.66 120.34 1ixx n ARG 86 Ca 0.08 0.00 -0.40 0.00 -0.01 0.00 0.00 57.85 57.51 1ixx n ARG 86 Cb 0.49 -0.22 -0.05 0.00 0.00 0.00 0.00 32.46 32.68 1ixx n ARG 86 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 1ixx s TYR 87 N -2.00 3.79 -0.09 -1.55 5.04 -1.26 -5.05 117.35 116.22 1ixx s TYR 87 Ca 0.00 1.64 -0.05 0.00 -2.44 0.00 0.00 57.07 56.21 1ixx s TYR 87 Cb 0.00 -2.92 0.04 0.00 0.35 0.00 0.00 41.96 39.43 1ixx s TYR 87 CO 0.00 0.26 0.21 -1.59 -1.34 0.00 0.00 175.55 173.10 1ixx s LYS 88 N -0.13 0.19 -0.41 4.97 -2.85 -1.26 -5.07 119.74 115.18 1ixx s LYS 88 Ca 0.42 0.44 0.11 0.00 -1.00 0.00 0.00 55.97 55.94 1ixx s LYS 88 Cb -0.22 -0.08 0.40 0.00 -2.06 0.00 0.00 37.83 35.88 1ixx s LYS 88 CO 0.26 -0.13 0.95 0.00 0.10 0.00 0.00 175.35 176.53 1ixx n ALA 89 N 3.93 3.80 -1.84 0.59 0.00 -1.26 -5.09 120.51 120.63 1ixx n ALA 89 Ca -0.23 -3.80 -0.41 0.00 0.00 0.00 0.00 53.44 49.00 1ixx n ALA 89 Cb 0.54 -0.79 -0.02 0.00 0.00 0.00 0.00 19.45 19.18 1ixx n ALA 89 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1ixx s TRP 90 N -3.15 2.94 0.04 0.00 0.52 -1.26 -4.86 118.94 113.16 1ixx s TRP 90 Ca 0.39 0.92 0.21 0.00 0.02 0.00 0.00 56.10 57.65 1ixx s TRP 90 Cb 0.39 -3.91 0.64 0.00 -1.15 0.00 0.00 33.47 29.45 1ixx s TRP 90 CO -0.08 -3.01 1.71 0.00 0.02 0.00 0.00 176.95 175.59 1ixx h ALA 91 N 5.09 0.93 -3.43 0.98 0.00 -2.05 -3.43 119.26 117.35 1ixx h ALA 91 Ca -0.46 -0.28 -0.46 0.00 0.00 0.00 0.00 54.91 53.71 1ixx h ALA 91 Cb 1.22 -0.05 -0.34 0.00 0.00 0.00 0.00 17.79 18.62 1ixx h ALA 91 CO 0.79 0.38 -0.79 -2.00 0.00 0.00 0.00 179.25 177.63 1ixx s GLU 92 N -3.45 1.25 0.08 0.00 2.56 -1.26 -5.07 118.70 112.81 1ixx s GLU 92 Ca 0.02 -0.25 -0.29 0.00 0.00 0.00 0.00 54.97 54.45 1ixx s GLU 92 Cb 0.09 -1.12 -0.17 0.00 2.00 0.00 0.00 34.13 34.94 1ixx s GLU 92 CO 0.67 -0.04 1.67 1.49 -0.56 0.00 0.00 175.26 178.49 1ixx h GLU 93 N 7.12 -0.53 -3.71 4.30 4.81 -2.02 -3.47 114.58 121.08 1ixx h GLU 93 Ca -0.34 0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 58.85 1ixx h GLU 93 Cb 1.17 0.12 -0.12 0.00 0.63 0.00 0.00 28.75 30.55 1ixx h GLU 93 CO 0.47 -0.35 -0.22 -1.12 -0.73 0.00 0.00 179.01 177.05 1ixx s SER 94 N -4.71 -0.04 -0.05 1.04 0.01 -1.26 -4.93 113.70 103.76 1ixx s SER 94 Ca -0.16 -0.75 0.04 0.00 1.31 0.00 0.00 55.95 56.39 1ixx s SER 94 Cb 0.05 0.47 -0.00 0.00 0.21 0.00 0.00 66.02 66.75 1ixx s SER 94 CO 0.64 -0.93 -0.16 -0.31 0.41 0.00 0.00 173.24 172.88 1ixx s TYR 95 N -3.94 1.65 0.27 2.43 1.51 -1.26 -2.15 117.35 115.87 1ixx s TYR 95 Ca 0.14 -0.50 0.10 0.00 -1.01 0.00 0.00 57.07 55.81 1ixx s TYR 95 Cb 0.02 -1.13 -0.04 0.00 -0.11 0.00 0.00 41.96 40.70 1ixx s TYR 95 CO -0.01 -0.18 -0.05 0.00 -1.11 0.00 0.00 175.55 174.20 1ixx s VAL 97 N -2.36 5.01 0.08 0.00 1.01 -0.49 -0.96 120.40 122.70 1ixx s VAL 97 Ca 0.31 0.92 -0.04 0.00 0.00 0.00 0.00 61.98 63.17 1ixx s VAL 97 Cb -0.06 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1ixx s VAL 97 CO 0.19 0.52 0.08 -0.72 0.00 0.00 0.00 175.10 175.17 1ixx s TYR 98 N -0.74 0.44 0.22 5.22 1.13 0.53 -1.20 117.35 122.96 1ixx s TYR 98 Ca 0.25 -0.91 0.09 0.00 -1.41 0.00 0.00 57.07 55.09 1ixx s TYR 98 Cb -0.17 -0.27 -0.05 0.00 -1.10 0.00 0.00 41.96 40.37 1ixx s TYR 98 CO 0.14 -0.48 -0.17 -0.59 -2.51 0.00 0.00 175.55 171.94 1ixx s PHE 99 N -3.92 1.92 -0.16 -3.49 -0.12 0.39 -0.77 117.98 111.83 1ixx s PHE 99 Ca 0.09 -0.48 -0.03 0.00 -0.05 0.00 0.00 56.93 56.46 1ixx s PHE 99 Cb 0.07 -0.88 -0.03 0.00 -0.63 0.00 0.00 43.02 41.55 1ixx s PHE 99 CO -0.08 0.47 -0.04 0.21 -0.05 0.00 0.00 175.22 175.73 1ixx s LYS 100 N -3.48 3.63 0.00 1.99 2.20 -1.26 -0.47 119.74 122.35 1ixx s LYS 100 Ca 0.24 -0.54 0.00 0.00 -0.36 0.00 0.00 55.97 55.31 1ixx s LYS 100 Cb -0.03 -2.91 0.00 0.00 -1.51 0.00 0.00 37.83 33.39 1ixx s LYS 100 CO 0.09 0.20 0.27 -1.13 -0.36 0.00 0.00 175.35 174.43 1ixx n SER 101 N 3.64 0.00 0.04 1.43 3.41 -0.78 -1.62 113.62 119.73 1ixx n SER 101 Ca -0.17 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.34 1ixx n SER 101 Cb 0.52 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.34 1ixx n SER 101 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1ixx h THR 102 N 0.00 1.35 -3.02 6.66 2.02 -1.90 -3.42 112.91 114.61 1ixx h THR 102 Ca 0.00 -3.10 0.02 0.00 0.77 0.00 0.00 66.41 64.10 1ixx h THR 102 Cb 0.00 2.70 -0.02 0.00 -1.74 0.00 0.00 68.15 69.09 1ixx h THR 102 CO 0.00 0.79 0.25 0.54 0.37 0.00 0.00 175.52 177.47 1ixx s ASN 103 N -6.56 -0.11 -0.34 4.18 2.20 -0.64 -5.06 114.94 108.61 1ixx s ASN 103 Ca -0.02 -0.90 0.09 0.00 -0.94 0.00 0.00 52.86 51.09 1ixx s ASN 103 Cb 0.09 0.79 0.72 0.00 -2.00 0.00 0.00 41.25 40.85 1ixx s ASN 103 CO 0.83 -1.52 1.80 -0.46 -2.94 0.00 0.00 177.10 174.81 1ixx n ASN 104 N -0.95 4.65 -4.78 3.54 6.94 -1.26 -4.19 115.26 119.20 1ixx n ASN 104 Ca -0.06 -3.24 -0.37 0.00 -0.02 0.00 0.00 54.58 50.89 1ixx n ASN 104 Cb 0.60 -0.76 -0.06 0.00 -2.36 0.00 0.00 39.78 37.19 1ixx n ASN 104 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1ixx s LYS 105 N -2.96 4.56 0.19 -3.83 -0.14 -1.26 -5.03 119.74 111.27 1ixx s LYS 105 Ca 0.54 1.29 -0.22 0.00 -1.36 0.00 0.00 55.97 56.23 1ixx s LYS 105 Cb 0.43 -2.81 -0.08 0.00 -1.68 0.00 0.00 37.83 33.70 1ixx s LYS 105 CO 0.13 0.29 0.73 -1.58 -0.76 0.00 0.00 175.35 174.16 1ixx s TRP 106 N -1.61 3.76 0.07 3.18 0.52 -1.26 -4.32 118.94 119.28 1ixx s TRP 106 Ca 0.50 1.46 0.02 0.00 0.02 0.00 0.00 56.10 58.10 1ixx s TRP 106 Cb -0.18 -2.66 -0.03 0.00 -1.15 0.00 0.00 33.47 29.44 1ixx s TRP 106 CO 0.24 0.42 -0.07 1.03 0.02 0.00 0.00 176.95 178.59 1ixx s ARG 107 N -1.60 0.67 0.12 4.98 0.52 0.05 -4.99 118.95 118.70 1ixx s ARG 107 Ca 0.39 -1.03 0.06 0.00 -0.52 0.00 0.00 55.73 54.63 1ixx s ARG 107 Cb -0.19 -0.24 -0.04 0.00 0.52 0.00 0.00 34.95 35.00 1ixx s ARG 107 CO 0.23 0.02 -0.00 -1.54 0.02 0.00 0.00 175.30 174.02 1ixx s SER 108 N -2.27 4.93 -0.13 0.23 1.04 -1.26 -0.34 113.70 115.91 1ixx s SER 108 Ca 0.00 -0.25 -0.29 0.00 0.48 0.00 0.00 55.95 55.89 1ixx s SER 108 Cb -0.03 -1.13 0.07 0.00 0.10 0.00 0.00 66.02 65.03 1ixx s SER 108 CO -0.02 0.14 0.69 -0.60 0.98 0.00 0.00 173.24 174.43 1ixx s ARG 109 N -2.53 0.97 -0.02 4.02 3.52 -0.13 -4.93 118.95 119.86 1ixx s ARG 109 Ca 0.26 0.51 -0.31 0.00 -0.13 0.00 0.00 55.73 56.06 1ixx s ARG 109 Cb -0.11 0.46 -0.10 0.00 -1.56 0.00 0.00 34.95 33.65 1ixx s ARG 109 CO 0.18 -0.25 1.96 0.00 -0.81 0.00 0.00 175.30 176.39 1ixx n ALA 110 N 1.54 1.36 -0.13 6.12 0.00 -1.26 0.70 120.51 128.84 1ixx n ALA 110 Ca -0.17 0.21 0.28 0.00 0.00 0.00 0.00 53.44 53.76 1ixx n ALA 110 Cb 0.56 -2.63 0.64 0.00 0.00 0.00 0.00 19.45 18.02 1ixx n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ixx n ARG 112 N -3.64 0.89 -2.19 0.00 1.85 -1.26 -0.93 116.66 111.37 1ixx n ARG 112 Ca 0.18 -0.16 -0.32 0.00 -1.00 0.00 0.00 57.85 56.55 1ixx n ARG 112 Cb 1.13 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 31.03 1ixx n ARG 112 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 1ixx s MET 113 N -2.23 3.81 0.42 2.89 -1.94 0.98 -4.77 119.30 118.45 1ixx s MET 113 Ca 0.38 0.88 -0.23 0.00 -1.71 0.00 0.00 55.69 55.02 1ixx s MET 113 Cb 0.21 -2.11 -0.09 0.00 2.01 0.00 0.00 34.83 34.84 1ixx s MET 113 CO 0.41 -0.39 1.02 -1.64 -0.01 0.00 0.00 175.02 174.41 1ixx s MET 114 N -4.49 4.13 -0.18 2.03 -1.94 -1.26 -3.98 119.30 113.62 1ixx s MET 114 Ca 0.57 1.39 -0.30 0.00 -1.71 0.00 0.00 55.69 55.64 1ixx s MET 114 Cb -0.10 -2.40 0.14 0.00 2.01 0.00 0.00 34.83 34.47 1ixx s MET 114 CO 0.40 -0.15 1.09 0.00 -0.01 0.00 0.00 175.02 176.35 1ixx s ALA 115 N -1.82 -1.98 0.93 3.03 0.00 -0.95 -4.94 121.76 116.04 1ixx s ALA 115 Ca 0.60 1.61 -0.12 0.00 0.00 0.00 0.00 51.96 54.05 1ixx s ALA 115 Cb -0.18 -0.74 0.21 0.00 0.00 0.00 0.00 23.12 22.40 1ixx s ALA 115 CO 0.23 -0.35 1.27 -0.65 0.00 0.00 0.00 175.76 176.25 1ixx s GLN 116 N -1.39 0.66 0.32 0.00 -0.21 -0.65 -1.58 119.66 116.81 1ixx s GLN 116 Ca 0.02 -0.74 -0.19 0.00 0.02 0.00 0.00 55.36 54.47 1ixx s GLN 116 Cb -0.01 -1.96 0.04 0.00 1.00 0.00 0.00 33.01 32.08 1ixx s GLN 116 CO -0.02 -2.32 0.76 -0.59 -2.12 0.00 0.00 175.29 170.99 1ixx s PHE 117 N -3.75 -0.06 -0.06 0.91 -0.71 -1.19 -0.58 117.98 112.55 1ixx s PHE 117 Ca 0.74 -0.49 0.00 0.00 -1.04 0.00 0.00 56.93 56.15 1ixx s PHE 117 Cb -0.03 0.76 0.02 0.00 -1.21 0.00 0.00 43.02 42.57 1ixx s PHE 117 CO 0.52 -1.37 -0.04 0.08 -1.34 0.00 0.00 175.22 173.07 1ixx s VAL 118 N -3.24 0.58 0.39 -2.49 1.01 -1.26 -0.64 120.40 114.76 1ixx s VAL 118 Ca 0.13 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.03 1ixx s VAL 118 Cb -0.06 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 1ixx s VAL 118 CO 0.09 0.26 0.59 0.00 0.00 0.00 0.00 175.10 176.04 1ixx s GLU 120 N -4.41 0.56 0.02 0.00 2.12 0.22 -2.40 118.70 114.82 1ixx s GLU 120 Ca 0.44 0.25 -0.11 0.00 0.36 0.00 0.00 54.97 55.91 1ixx s GLU 120 Cb -0.10 0.26 0.01 0.00 0.26 0.00 0.00 34.13 34.57 1ixx s GLU 120 CO 0.36 -0.12 0.22 -0.59 -0.54 0.00 0.00 175.26 174.60 1ixx s PHE 121 N -0.43 -0.02 0.25 5.30 -0.12 -0.33 -1.11 117.98 121.51 1ixx s PHE 121 Ca -0.06 -0.10 -0.07 0.00 -0.05 0.00 0.00 56.93 56.65 1ixx s PHE 121 Cb -0.04 0.01 -0.06 0.00 -0.63 0.00 0.00 43.02 42.30 1ixx s PHE 121 CO 0.02 -0.41 0.54 -1.14 -0.05 0.00 0.00 175.22 174.19 1ixx s GLN 122 N -2.07 3.72 0.00 1.99 0.74 -1.26 -0.21 119.66 122.56 1ixx s GLN 122 Ca -0.09 0.14 0.00 0.00 0.05 0.00 0.00 55.36 55.47 1ixx s GLN 122 Cb -0.03 -2.66 0.00 0.00 1.10 0.00 0.00 33.01 31.42 1ixx s GLN 122 CO -0.01 0.29 0.00 0.00 -0.55 0.00 0.00 175.29 175.02