#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t39 s LYS 8 N 0.00 1.90 0.25 2.12 1.02 -1.22 -4.98 119.74 118.83 1t39 s LYS 8 Ca 0.00 -2.07 0.11 0.00 0.02 0.00 0.00 55.97 54.02 1t39 s LYS 8 Cb 0.00 -1.48 -0.05 0.00 -0.52 0.00 0.00 37.83 35.78 1t39 s LYS 8 CO 0.00 -0.08 -0.19 1.03 -0.92 0.00 0.00 175.35 175.19 1t39 s ARG 9 N -3.75 1.57 -0.15 1.68 0.52 -1.26 -2.06 118.95 115.50 1t39 s ARG 9 Ca 0.35 -1.70 -0.09 0.00 -0.52 0.00 0.00 55.73 53.76 1t39 s ARG 9 Cb 0.10 -1.60 0.05 0.00 0.52 0.00 0.00 34.95 34.02 1t39 s ARG 9 CO 0.17 0.30 0.37 -0.08 0.02 0.00 0.00 175.30 176.08 1t39 s THR 10 N -2.57 -0.02 0.34 0.02 -1.32 -1.24 -4.99 115.64 105.85 1t39 s THR 10 Ca 0.27 0.09 0.07 0.00 -1.21 0.00 0.00 61.69 60.91 1t39 s THR 10 Cb -0.04 -0.54 -0.02 0.00 -1.51 0.00 0.00 72.50 70.39 1t39 s THR 10 CO 0.12 0.03 0.39 0.28 -2.21 0.00 0.00 174.62 173.24 1t39 s THR 11 N 1.13 3.80 0.05 5.08 -1.32 -1.26 -1.69 115.64 121.41 1t39 s THR 11 Ca -0.08 -1.16 -0.25 0.00 -1.21 0.00 0.00 61.69 58.99 1t39 s THR 11 Cb -0.08 -3.30 0.06 0.00 -1.51 0.00 0.00 72.50 67.68 1t39 s THR 11 CO -0.09 -0.16 0.59 -0.22 -2.21 0.00 0.00 174.62 172.53 1t39 s LEU 12 N -4.10 -0.38 -0.20 9.08 2.96 -1.24 -4.97 118.68 119.84 1t39 s LEU 12 Ca 0.43 0.30 -0.09 0.00 -0.22 0.00 0.00 54.13 54.55 1t39 s LEU 12 Cb -0.08 2.37 -0.05 0.00 0.50 0.00 0.00 46.19 48.94 1t39 s LEU 12 CO 0.29 -0.75 0.11 -0.62 -1.32 0.00 0.00 176.35 174.06 1t39 s ASP 13 N -1.92 5.98 0.16 3.68 -1.08 -1.26 -1.06 116.67 121.17 1t39 s ASP 13 Ca -0.06 0.16 0.03 0.00 -0.52 0.00 0.00 52.55 52.16 1t39 s ASP 13 Cb -0.01 -2.04 -0.05 0.00 -1.46 0.00 0.00 42.92 39.36 1t39 s ASP 13 CO -0.01 0.16 -0.04 -0.94 0.52 0.00 0.00 175.17 174.87 1t39 s SER 14 N 0.44 1.40 0.00 -0.34 1.04 0.16 -4.98 113.70 111.42 1t39 s SER 14 Ca 0.06 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.38 1t39 s SER 14 Cb -0.12 0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.08 1t39 s SER 14 CO -0.01 -0.49 0.66 -2.65 0.98 0.00 0.00 173.24 171.73 1t39 n PRO 15 N -0.21 0.00 -0.17 4.02 -0.02 -1.26 0.94 135.00 138.31 1t39 n PRO 15 Ca -0.08 0.15 0.09 0.00 -2.02 0.00 0.00 63.50 61.63 1t39 n PRO 15 Cb 0.62 -1.50 0.17 0.00 -0.02 0.00 0.00 33.50 32.78 1t39 n PRO 15 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1t39 n LEU 16 N -1.15 3.06 0.00 2.45 4.32 -1.26 -5.08 117.00 119.33 1t39 n LEU 16 Ca 0.00 -1.60 0.00 0.00 -0.02 0.00 0.00 56.01 54.39 1t39 n LEU 16 Cb 0.00 -0.22 0.00 0.00 -1.62 0.00 0.00 43.42 41.58 1t39 n LEU 16 CO 0.00 0.69 0.00 0.61 -1.22 0.00 0.00 177.39 177.47 1t39 n GLY 17 N 1.05 -1.76 3.81 -0.72 0.00 0.27 -4.96 105.19 102.87 1t39 n GLY 17 Ca 0.15 -2.04 -0.33 0.00 0.00 0.00 0.00 46.02 43.80 1t39 n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t39 s LYS 18 N 0.00 3.74 -0.26 1.61 -0.14 -1.26 -0.66 119.74 122.76 1t39 s LYS 18 Ca 0.00 1.25 -0.01 0.00 -1.36 0.00 0.00 55.97 55.84 1t39 s LYS 18 Cb 0.00 -2.09 0.13 0.00 -1.68 0.00 0.00 37.83 34.19 1t39 s LYS 18 CO 0.00 -0.47 0.32 -0.48 -0.76 0.00 0.00 175.35 173.96 1t39 s LEU 19 N -3.79 -0.39 -0.29 3.17 2.34 -0.22 -3.07 118.68 116.42 1t39 s LEU 19 Ca 0.65 -0.35 -0.29 0.00 0.06 0.00 0.00 54.13 54.20 1t39 s LEU 19 Cb -0.15 0.72 -0.01 0.00 -0.56 0.00 0.00 46.19 46.19 1t39 s LEU 19 CO 0.25 -0.35 1.60 -0.70 -1.06 0.00 0.00 176.35 176.09 1t39 s GLU 20 N 2.43 3.64 -0.49 1.48 2.12 -0.58 -3.60 118.70 123.70 1t39 s GLU 20 Ca 0.10 1.42 -0.03 0.00 0.36 0.00 0.00 54.97 56.82 1t39 s GLU 20 Cb -0.14 -4.06 0.13 0.00 0.26 0.00 0.00 34.13 30.31 1t39 s GLU 20 CO -0.24 -1.48 0.29 -0.48 -0.54 0.00 0.00 175.26 172.81 1t39 s LEU 21 N 5.62 5.23 0.56 2.70 2.34 -0.68 -0.54 118.68 133.91 1t39 s LEU 21 Ca 0.70 -2.36 -0.06 0.00 0.06 0.00 0.00 54.13 52.47 1t39 s LEU 21 Cb -0.21 -1.84 -0.01 0.00 -0.56 0.00 0.00 46.19 43.57 1t39 s LEU 21 CO 0.31 -0.47 0.88 -0.94 -1.06 0.00 0.00 176.35 175.07 1t39 s SER 22 N 1.36 5.90 0.00 1.48 1.04 -1.11 -3.67 113.70 118.69 1t39 s SER 22 Ca 0.12 0.89 0.00 0.00 0.48 0.00 0.00 55.95 57.44 1t39 s SER 22 Cb -0.22 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 63.90 1t39 s SER 22 CO -0.04 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.91 1t39 n GLY 23 N -2.51 3.05 3.21 7.32 0.00 -0.87 -1.16 105.19 114.22 1t39 n GLY 23 Ca 0.03 -0.90 -0.18 0.00 0.00 0.00 0.00 46.02 44.97 1t39 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t39 n GLU 25 N -2.37 0.45 0.07 0.00 2.13 -1.26 -2.17 120.64 117.49 1t39 n GLU 25 Ca 0.14 0.05 0.05 0.00 0.66 0.00 0.00 57.16 58.06 1t39 n GLU 25 Cb 0.49 -1.50 -0.04 0.00 0.27 0.00 0.00 31.44 30.66 1t39 n GLU 25 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 1t39 h GLN 26 N 0.00 0.00 0.00 5.31 -0.00 -1.96 -3.44 115.11 115.02 1t39 h GLN 26 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1t39 h GLN 26 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.63 1t39 h GLN 26 CO 0.00 0.16 0.00 0.41 0.00 0.00 0.00 178.83 179.40 1t39 n GLY 27 N 1.29 -0.60 3.65 2.39 0.00 -0.92 -4.53 105.19 106.47 1t39 n GLY 27 Ca -0.05 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 1t39 n GLY 27 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1t39 s LEU 28 N 0.00 4.10 -0.09 0.99 2.96 0.50 -1.74 118.68 125.40 1t39 s LEU 28 Ca 0.00 1.11 -0.04 0.00 -0.22 0.00 0.00 54.13 54.99 1t39 s LEU 28 Cb 0.00 -3.25 -0.26 0.00 0.50 0.00 0.00 46.19 43.18 1t39 s LEU 28 CO 0.00 -0.51 0.48 -0.74 -1.32 0.00 0.00 176.35 174.26 1t39 h HIS 29 N 7.57 0.42 -3.35 5.38 -0.00 -1.19 -2.57 115.15 121.41 1t39 h HIS 29 Ca -0.24 -0.31 -0.09 0.00 -0.00 0.00 0.00 60.37 59.73 1t39 h HIS 29 Cb 1.10 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 28.47 1t39 h HIS 29 CO 0.74 1.62 0.13 -2.00 -0.00 0.00 0.00 177.93 178.42 1t39 s GLU 30 N -2.57 2.12 -0.40 5.26 2.12 -0.31 -4.81 118.70 120.10 1t39 s GLU 30 Ca -0.18 -1.52 -0.02 0.00 0.36 0.00 0.00 54.97 53.61 1t39 s GLU 30 Cb 0.07 0.57 0.20 0.00 0.26 0.00 0.00 34.13 35.23 1t39 s GLU 30 CO 0.79 -0.96 0.97 -1.50 -0.54 0.00 0.00 175.26 174.02 1t39 s ILE 31 N -2.60 -0.47 -0.04 -3.70 2.07 -1.20 -2.77 121.20 112.49 1t39 s ILE 31 Ca 0.20 -0.44 -0.21 0.00 -1.41 0.00 0.00 60.65 58.79 1t39 s ILE 31 Cb -0.04 0.00 -0.05 0.00 0.13 0.00 0.00 42.46 42.51 1t39 s ILE 31 CO 0.14 0.00 0.62 -0.75 -1.91 0.00 0.00 174.94 173.04 1t39 s LYS 32 N 1.01 4.37 -1.27 3.50 2.20 0.30 -4.45 119.74 125.40 1t39 s LYS 32 Ca 0.25 0.76 -0.15 0.00 -0.36 0.00 0.00 55.97 56.47 1t39 s LYS 32 Cb 0.08 -3.39 0.13 0.00 -1.51 0.00 0.00 37.83 33.13 1t39 s LYS 32 CO -0.09 0.23 1.66 1.28 -0.36 0.00 0.00 175.35 178.07 1t39 n LEU 33 N 3.22 5.44 0.00 5.43 4.32 -1.26 -1.52 117.00 132.63 1t39 n LEU 33 Ca -0.05 -4.28 -0.10 0.00 -0.02 0.00 0.00 56.01 51.57 1t39 n LEU 33 Cb 0.51 -1.65 0.07 0.00 -1.62 0.00 0.00 43.42 40.73 1t39 n LEU 33 CO 0.45 0.65 0.26 0.00 -1.22 0.00 0.00 177.39 177.53 1t39 n LEU 34 N 6.38 0.00 0.00 2.23 -0.00 -1.17 -5.00 117.00 119.44 1t39 n LEU 34 Ca 0.43 -0.45 0.08 0.00 -0.00 0.00 0.00 56.01 56.06 1t39 n LEU 34 Cb 0.43 -0.33 0.46 0.00 -0.00 0.00 0.00 43.42 43.97 1t39 n LEU 34 CO 0.72 -0.97 0.67 0.61 -0.00 0.00 0.00 177.39 178.42 1t39 n GLY 35 N 1.60 -0.54 5.92 1.47 0.00 -1.26 -4.29 105.19 108.08 1t39 n GLY 35 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1t39 n GLY 35 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1t39 n PRO 56 N -0.95 0.00 0.33 1.61 -0.04 -1.26 -4.63 135.00 130.06 1t39 n PRO 56 Ca 0.12 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.41 1t39 n PRO 56 Cb 0.05 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.43 1t39 n PRO 56 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1t39 h GLU 57 N 0.00 -0.79 -0.12 0.54 4.81 -1.91 -3.21 114.58 113.90 1t39 h GLU 57 Ca 0.00 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 1t39 h GLU 57 Cb 0.00 0.18 -0.06 0.00 0.63 0.00 0.00 28.75 29.50 1t39 h GLU 57 CO 0.00 -0.50 -0.54 -1.35 -0.73 0.00 0.00 179.01 175.89 1t39 h PRO 58 N -0.90 -0.57 -0.13 0.92 0.11 -1.84 0.14 132.00 129.72 1t39 h PRO 58 Ca -0.08 0.04 0.04 0.00 0.11 0.00 0.00 66.00 66.11 1t39 h PRO 58 Cb 0.66 0.13 -0.05 0.00 0.11 0.00 0.00 31.00 31.85 1t39 h PRO 58 CO 0.14 -0.38 -0.17 -0.07 -0.21 0.00 0.00 178.00 177.31 1t39 h LEU 59 N -0.59 -0.53 -1.34 2.35 4.07 -1.84 0.48 115.31 117.91 1t39 h LEU 59 Ca 0.03 0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.08 1t39 h LEU 59 Cb 0.68 0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.67 1t39 h LEU 59 CO -0.43 -0.22 0.00 0.24 -1.08 0.00 0.00 178.44 176.96 1t39 h MET 60 N -0.21 0.00 0.11 1.13 2.86 -1.52 0.38 114.93 117.67 1t39 h MET 60 Ca 0.10 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.45 1t39 h MET 60 Cb 0.35 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1t39 h MET 60 CO -0.26 0.00 -1.42 0.37 1.06 0.00 0.00 176.91 176.66 1t39 h GLN 61 N 0.00 0.23 -0.08 1.72 4.15 0.64 -3.01 115.11 118.75 1t39 h GLN 61 Ca 0.00 -0.39 -0.22 0.00 0.77 0.00 0.00 58.65 58.81 1t39 h GLN 61 Cb 0.41 0.14 0.01 0.00 0.21 0.00 0.00 27.48 28.25 1t39 h GLN 61 CO 0.00 1.11 -0.84 0.00 -1.93 0.00 0.00 178.83 177.17 1t39 h THR 63 N 0.40 1.07 0.02 0.00 2.02 -0.34 -1.04 112.91 115.04 1t39 h THR 63 Ca -0.07 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.75 1t39 h THR 63 Cb 1.46 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1t39 h THR 63 CO 0.16 0.19 -0.01 0.00 0.37 0.00 0.00 175.52 176.23 1t39 h ALA 64 N 1.41 -0.03 -0.47 6.16 0.00 -1.50 -2.33 119.26 122.51 1t39 h ALA 64 Ca 0.39 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.29 1t39 h ALA 64 Cb 0.14 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 1t39 h ALA 64 CO -0.16 -0.44 0.15 2.35 0.00 0.00 0.00 179.25 181.14 1t39 h TRP 65 N -0.18 0.25 0.05 0.00 7.01 -1.34 0.09 115.95 121.83 1t39 h TRP 65 Ca -0.00 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.04 1t39 h TRP 65 Cb 0.17 -0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.16 1t39 h TRP 65 CO -0.02 0.07 -0.18 -0.07 -2.79 0.00 0.00 178.44 175.45 1t39 h LEU 66 N 0.31 -0.51 -2.10 0.65 3.38 -1.07 0.63 115.31 116.59 1t39 h LEU 66 Ca 0.23 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 1t39 h LEU 66 Cb 0.25 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1t39 h LEU 66 CO -0.25 -0.25 -0.08 0.78 0.09 0.00 0.00 178.44 178.73 1t39 h ASN 67 N -0.32 0.00 0.05 -0.43 -0.26 -1.07 -0.24 115.58 113.31 1t39 h ASN 67 Ca 0.04 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.78 1t39 h ASN 67 Cb 0.36 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.62 1t39 h ASN 67 CO -0.13 0.08 -0.02 0.00 -1.06 0.00 0.00 177.43 176.29 1t39 h ALA 68 N 1.92 -0.07 -0.58 -0.83 0.00 0.54 0.18 119.26 120.42 1t39 h ALA 68 Ca -0.00 -0.31 0.09 0.00 0.00 0.00 0.00 54.91 54.69 1t39 h ALA 68 Cb 0.19 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1t39 h ALA 68 CO 0.01 -0.19 0.20 -0.92 0.00 0.00 0.00 179.25 178.35 1t39 h TYR 69 N -0.77 0.35 0.00 0.00 5.03 0.64 0.45 116.97 122.66 1t39 h TYR 69 Ca -0.01 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.33 1t39 h TYR 69 Cb 0.64 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 38.85 1t39 h TYR 69 CO 0.14 0.08 0.00 1.19 -1.32 0.00 0.00 178.16 178.25 1t39 n PHE 70 N -5.02 0.00 0.78 -3.82 3.01 -0.14 -3.38 117.46 108.89 1t39 n PHE 70 Ca 0.08 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.57 1t39 n PHE 70 Cb 0.27 -0.17 0.12 0.00 -0.01 0.00 0.00 39.48 39.69 1t39 n PHE 70 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1t39 n HIS 71 N -1.01 0.51 -2.65 1.38 8.25 0.62 -4.21 115.22 118.11 1t39 n HIS 71 Ca 0.00 -0.20 -0.03 0.00 -0.26 0.00 0.00 57.72 57.23 1t39 n HIS 71 Cb 0.00 -0.13 0.10 0.00 1.12 0.00 0.00 29.99 31.08 1t39 n HIS 71 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1t39 n GLN 72 N 0.20 1.04 0.11 -0.41 -0.06 0.14 -4.95 117.38 113.44 1t39 n GLN 72 Ca 0.08 -1.11 0.08 0.00 -2.00 0.00 0.00 57.00 54.05 1t39 n GLN 72 Cb 0.39 0.24 0.41 0.00 -4.06 0.00 0.00 30.24 27.22 1t39 n GLN 72 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 1t39 n PRO 73 N -1.05 0.10 0.13 3.69 -0.04 -0.15 -2.51 135.00 135.18 1t39 n PRO 73 Ca -0.13 0.56 0.06 0.00 -0.04 0.00 0.00 63.50 63.95 1t39 n PRO 73 Cb 0.80 -1.81 0.31 0.00 -0.04 0.00 0.00 33.50 32.77 1t39 n PRO 73 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1t39 n GLU 74 N -2.02 0.08 -2.72 0.54 4.71 -1.26 -2.89 120.64 117.08 1t39 n GLU 74 Ca -0.00 0.53 -0.07 0.00 -0.01 0.00 0.00 57.16 57.60 1t39 n GLU 74 Cb 0.05 -2.01 0.08 0.00 -1.01 0.00 0.00 31.44 28.55 1t39 n GLU 74 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1t39 n ALA 75 N -1.54 -1.57 0.18 0.62 0.00 -1.04 -5.00 120.51 112.16 1t39 n ALA 75 Ca -0.01 -1.19 0.05 0.00 0.00 0.00 0.00 53.44 52.29 1t39 n ALA 75 Cb 0.27 -1.67 0.26 0.00 0.00 0.00 0.00 19.45 18.30 1t39 n ALA 75 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1t39 h ILE 76 N 2.50 0.86 0.00 0.00 6.09 -1.67 -2.73 117.51 122.55 1t39 h ILE 76 Ca -0.16 -1.71 0.00 0.00 -1.37 0.00 0.00 64.86 61.62 1t39 h ILE 76 Cb 1.10 2.07 0.00 0.00 0.47 0.00 0.00 36.82 40.46 1t39 h ILE 76 CO 0.15 0.40 0.00 -0.62 -3.07 0.00 0.00 178.15 175.00 1t39 n GLU 77 N -3.43 0.13 0.00 2.19 1.02 -1.26 -2.39 120.64 116.90 1t39 n GLU 77 Ca 0.00 0.16 0.11 0.00 -0.02 0.00 0.00 57.16 57.41 1t39 n GLU 77 Cb 0.57 -1.67 0.60 0.00 -0.02 0.00 0.00 31.44 30.93 1t39 n GLU 77 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1t39 n GLU 78 N -1.90 0.57 -4.94 3.49 1.02 -1.03 -4.63 120.64 113.21 1t39 n GLU 78 Ca 0.06 0.03 -0.32 0.00 -0.02 0.00 0.00 57.16 56.90 1t39 n GLU 78 Cb 0.35 -1.50 -0.16 0.00 -0.02 0.00 0.00 31.44 30.11 1t39 n GLU 78 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1t39 s PHE 79 N -2.16 2.64 0.24 -0.32 0.40 -1.01 -5.11 117.98 112.66 1t39 s PHE 79 Ca 0.29 -1.11 -0.30 0.00 -0.60 0.00 0.00 56.93 55.21 1t39 s PHE 79 Cb 0.14 -1.77 -0.10 0.00 0.51 0.00 0.00 43.02 41.81 1t39 s PHE 79 CO 0.27 -0.47 1.37 -1.25 0.70 0.00 0.00 175.22 175.84 1t39 s PRO 80 N 0.54 4.33 0.24 0.24 0.04 -1.26 -5.00 135.00 134.12 1t39 s PRO 80 Ca -0.13 2.19 -0.30 0.00 0.04 0.00 0.00 61.00 62.80 1t39 s PRO 80 Cb -0.17 -3.14 -0.09 0.00 0.04 0.00 0.00 34.50 31.14 1t39 s PRO 80 CO 0.04 -0.33 0.94 0.08 0.04 0.00 0.00 177.00 177.78 1t39 s VAL 81 N -0.07 4.07 0.99 -0.36 1.01 -1.26 -4.83 120.40 119.95 1t39 s VAL 81 Ca 0.57 2.08 -0.15 0.00 0.00 0.00 0.00 61.98 64.49 1t39 s VAL 81 Cb -0.39 -4.33 0.19 0.00 0.00 0.00 0.00 36.38 31.85 1t39 s VAL 81 CO 0.42 0.50 1.18 -2.16 0.00 0.00 0.00 175.10 175.03 1t39 s PRO 82 N -1.16 0.47 0.18 2.72 0.04 -1.26 -5.02 135.00 130.96 1t39 s PRO 82 Ca 0.41 0.03 -0.30 0.00 0.04 0.00 0.00 61.00 61.18 1t39 s PRO 82 Cb -0.26 -1.79 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 1t39 s PRO 82 CO 0.32 -2.60 1.03 0.00 0.04 0.00 0.00 177.00 175.79 1t39 s ALA 83 N -3.37 3.33 -1.06 8.56 0.00 -1.26 -4.91 121.76 123.04 1t39 s ALA 83 Ca 0.68 0.71 -0.11 0.00 0.00 0.00 0.00 51.96 53.24 1t39 s ALA 83 Cb -0.11 -3.30 0.24 0.00 0.00 0.00 0.00 23.12 19.95 1t39 s ALA 83 CO 0.54 -0.07 1.10 -0.51 0.00 0.00 0.00 175.76 176.82 1t39 s LEU 84 N -0.51 6.14 -0.79 0.00 1.43 -1.26 0.19 118.68 123.88 1t39 s LEU 84 Ca 0.47 -3.23 -0.23 0.00 -1.03 0.00 0.00 54.13 50.11 1t39 s LEU 84 Cb -0.27 -2.25 0.07 0.00 0.03 0.00 0.00 46.19 43.76 1t39 s LEU 84 CO 0.33 -0.46 1.15 -2.28 0.23 0.00 0.00 176.35 175.32 1t39 s HIS 85 N -0.28 2.63 -0.27 0.29 5.65 -0.97 -4.73 115.29 117.61 1t39 s HIS 85 Ca 0.30 -0.63 -0.25 0.00 0.25 0.00 0.00 55.06 54.73 1t39 s HIS 85 Cb -0.09 -4.44 0.09 0.00 -1.18 0.00 0.00 32.58 26.96 1t39 s HIS 85 CO -0.07 -1.77 0.83 -1.58 -0.65 0.00 0.00 174.74 171.50 1t39 s HIS 86 N 4.37 -0.68 0.58 3.88 5.04 -1.26 -3.18 115.29 124.04 1t39 s HIS 86 Ca 0.31 1.65 0.35 0.00 -1.54 0.00 0.00 55.06 55.83 1t39 s HIS 86 Cb -0.10 0.30 1.39 0.00 0.04 0.00 0.00 32.58 34.21 1t39 s HIS 86 CO 0.05 -0.33 1.64 -1.35 -2.34 0.00 0.00 174.74 172.40 1t39 h PRO 87 N 4.69 0.00 0.00 2.88 0.11 -1.94 -0.06 132.00 137.67 1t39 h PRO 87 Ca -0.29 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.68 1t39 h PRO 87 Cb 1.17 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1t39 h PRO 87 CO 0.07 0.00 -0.68 -0.24 -0.21 0.00 0.00 178.00 176.95 1t39 h VAL 88 N 0.00 1.44 0.00 3.15 3.04 -1.95 -3.25 116.25 118.68 1t39 h VAL 88 Ca 0.53 -2.36 -0.02 0.00 -1.01 0.00 0.00 66.70 63.84 1t39 h VAL 88 Cb 2.49 2.29 -0.00 0.00 -2.01 0.00 0.00 31.29 34.06 1t39 h VAL 88 CO -0.01 0.66 -1.46 0.49 -1.01 0.00 0.00 177.57 176.25 1t39 n PHE 89 N -3.66 0.57 -0.15 3.17 3.01 -0.07 -4.36 117.46 115.97 1t39 n PHE 89 Ca -0.01 0.17 -0.11 0.00 1.01 0.00 0.00 57.45 58.51 1t39 n PHE 89 Cb 0.68 -0.80 0.00 0.00 -0.01 0.00 0.00 39.48 39.36 1t39 n PHE 89 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1t39 h GLN 90 N 0.00 0.99 -6.90 -1.08 4.20 -1.49 -3.46 115.11 107.37 1t39 h GLN 90 Ca -0.03 -0.43 -0.48 0.00 0.06 0.00 0.00 58.65 57.77 1t39 h GLN 90 Cb 1.08 -0.03 0.06 0.00 0.30 0.00 0.00 27.48 28.89 1t39 h GLN 90 CO 0.00 1.11 0.02 -1.14 -0.67 0.00 0.00 178.83 178.15 1t39 s GLN 91 N -4.64 1.90 -0.27 1.46 0.74 -1.24 -5.09 119.66 112.52 1t39 s GLN 91 Ca -0.11 -1.45 -0.04 0.00 0.05 0.00 0.00 55.36 53.81 1t39 s GLN 91 Cb 0.12 -2.48 0.02 0.00 1.10 0.00 0.00 33.01 31.77 1t39 s GLN 91 CO 0.87 -1.23 0.01 -2.00 -0.55 0.00 0.00 175.29 172.38 1t39 s GLU 92 N -4.94 2.98 0.21 1.67 2.56 -1.26 -4.93 118.70 115.00 1t39 s GLU 92 Ca 0.65 -0.90 0.02 0.00 0.00 0.00 0.00 54.97 54.74 1t39 s GLU 92 Cb -0.05 -3.16 -0.01 0.00 2.00 0.00 0.00 34.13 32.91 1t39 s GLU 92 CO 0.42 -0.41 0.24 0.45 -0.56 0.00 0.00 175.26 175.41 1t39 n SER 93 N 4.77 -0.65 -0.03 -1.70 2.88 -1.26 -4.99 113.62 112.63 1t39 n SER 93 Ca -0.16 -2.28 -0.13 0.00 -1.33 0.00 0.00 58.87 54.98 1t39 n SER 93 Cb 0.48 1.32 -0.11 0.00 -0.75 0.00 0.00 64.21 65.16 1t39 n SER 93 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1t39 h PHE 94 N 1.65 -0.03 -1.04 0.66 3.57 -1.98 -2.96 116.94 116.82 1t39 h PHE 94 Ca -0.16 -0.00 0.28 0.00 3.53 0.00 0.00 57.97 61.62 1t39 h PHE 94 Cb 0.75 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.43 1t39 h PHE 94 CO 0.00 0.63 0.71 1.15 -2.23 0.00 0.00 178.31 178.57 1t39 h THR 95 N -0.76 0.51 0.00 4.41 2.02 -1.95 -0.46 112.91 116.68 1t39 h THR 95 Ca -0.00 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1t39 h THR 95 Cb 0.68 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1t39 h THR 95 CO 0.01 0.04 0.00 -1.14 0.37 0.00 0.00 175.52 174.80 1t39 n ARG 96 N -4.44 0.00 -0.12 6.66 3.00 -1.13 -1.77 116.66 118.87 1t39 n ARG 96 Ca 0.24 0.45 -0.07 0.00 -0.00 0.00 0.00 57.85 58.47 1t39 n ARG 96 Cb 0.97 -1.39 -0.01 0.00 0.00 0.00 0.00 32.46 32.03 1t39 n ARG 96 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 1t39 h GLN 97 N 0.00 -0.22 -0.88 -0.14 1.08 -1.21 0.10 115.11 113.84 1t39 h GLN 97 Ca 0.00 0.01 0.24 0.00 -1.45 0.00 0.00 58.65 57.45 1t39 h GLN 97 Cb 0.00 0.05 -0.14 0.00 -0.05 0.00 0.00 27.48 27.34 1t39 h GLN 97 CO 0.00 -0.14 0.24 0.28 -0.95 0.00 0.00 178.83 178.26 1t39 h VAL 98 N -0.22 0.30 -0.01 -0.54 2.07 -1.14 1.92 116.25 118.63 1t39 h VAL 98 Ca 0.18 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 1t39 h VAL 98 Cb 0.52 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1t39 h VAL 98 CO -0.53 0.04 -0.06 -0.07 0.02 0.00 0.00 177.57 176.97 1t39 h LEU 99 N 0.20 0.06 -0.67 2.57 3.38 -0.35 -1.78 115.31 118.72 1t39 h LEU 99 Ca 0.56 -0.70 0.04 0.00 0.09 0.00 0.00 57.88 57.88 1t39 h LEU 99 Cb 1.13 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.82 1t39 h LEU 99 CO -0.66 0.75 0.40 -0.25 0.09 0.00 0.00 178.44 178.77 1t39 h TRP 100 N -0.62 0.74 0.00 1.13 2.91 0.13 -1.33 115.95 118.91 1t39 h TRP 100 Ca -0.00 0.02 -0.08 0.00 1.13 0.00 0.00 58.89 59.96 1t39 h TRP 100 Cb 0.75 -0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 29.15 1t39 h TRP 100 CO 0.17 0.39 -0.37 -0.22 -1.03 0.00 0.00 178.44 177.38 1t39 h LYS 101 N 0.76 0.00 -0.06 2.65 1.63 0.28 -2.87 116.57 118.97 1t39 h LYS 101 Ca 0.29 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 60.01 1t39 h LYS 101 Cb 0.10 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 1t39 h LYS 101 CO -0.14 0.37 -0.30 1.25 -3.45 0.00 0.00 179.45 177.18 1t39 h LEU 102 N 0.00 0.11 -1.21 5.20 6.46 -0.31 -2.37 115.31 123.19 1t39 h LEU 102 Ca -0.00 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 1t39 h LEU 102 Cb 0.98 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.88 1t39 h LEU 102 CO 0.05 0.42 -0.20 0.00 -0.62 0.00 0.00 178.44 178.08 1t39 n LEU 103 N -4.15 1.98 -0.01 2.25 -0.00 -1.12 -3.57 117.00 112.38 1t39 n LEU 103 Ca -0.02 -0.86 0.08 0.00 -0.00 0.00 0.00 56.01 55.22 1t39 n LEU 103 Cb 0.37 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.67 1t39 n LEU 103 CO 0.39 0.36 -0.59 0.29 -0.00 0.00 0.00 177.39 177.84 1t39 n LYS 104 N 0.33 0.68 0.00 1.47 4.76 -1.09 -4.64 118.16 119.68 1t39 n LYS 104 Ca 0.08 -0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 1t39 n LYS 104 Cb 0.38 -1.39 0.00 0.00 -1.84 0.00 0.00 35.03 32.18 1t39 n LYS 104 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1t39 n VAL 105 N -1.98 0.00 -3.49 -0.18 0.31 -0.90 -4.89 118.33 107.20 1t39 n VAL 105 Ca -0.02 -0.06 -0.42 0.00 -0.01 0.00 0.00 64.34 63.83 1t39 n VAL 105 Cb 0.42 0.53 -0.06 0.00 -0.91 0.00 0.00 33.84 33.82 1t39 n VAL 105 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1t39 s VAL 106 N -1.72 4.75 0.90 2.52 1.01 -1.23 -5.06 120.40 121.55 1t39 s VAL 106 Ca 0.00 -2.53 -0.14 0.00 0.00 0.00 0.00 61.98 59.32 1t39 s VAL 106 Cb 0.00 -4.01 0.14 0.00 0.00 0.00 0.00 36.38 32.51 1t39 s VAL 106 CO 0.00 -0.94 1.22 -0.54 0.00 0.00 0.00 175.10 174.84 1t39 s LYS 107 N 0.28 1.23 0.10 2.72 1.02 -1.26 -4.66 119.74 119.18 1t39 s LYS 107 Ca 0.15 -0.04 -0.35 0.00 0.02 0.00 0.00 55.97 55.76 1t39 s LYS 107 Cb -0.17 -1.88 -0.14 0.00 -0.52 0.00 0.00 37.83 35.12 1t39 s LYS 107 CO -0.05 -2.07 1.56 0.34 -0.92 0.00 0.00 175.35 174.21 1t39 n PHE 108 N -3.61 2.11 0.00 3.18 7.35 -1.26 -1.98 117.46 123.25 1t39 n PHE 108 Ca 0.10 0.33 0.00 0.00 -0.76 0.00 0.00 57.45 57.12 1t39 n PHE 108 Cb 0.60 -2.51 0.00 0.00 0.35 0.00 0.00 39.48 37.92 1t39 n PHE 108 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1t39 n GLY 109 N 3.35 2.57 3.49 7.13 0.00 -1.26 -5.03 105.19 115.44 1t39 n GLY 109 Ca 0.18 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 1t39 n GLY 109 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1t39 n GLU 110 N 0.00 0.17 -4.13 1.61 1.02 -0.84 -4.97 120.64 113.50 1t39 n GLU 110 Ca 0.00 0.11 -0.15 0.00 -0.02 0.00 0.00 57.16 57.09 1t39 n GLU 110 Cb 0.00 -1.93 -0.12 0.00 -0.02 0.00 0.00 31.44 29.37 1t39 n GLU 110 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1t39 s VAL 111 N -2.04 0.75 -0.05 2.62 1.01 -1.26 -4.74 120.40 116.68 1t39 s VAL 111 Ca 0.65 -1.06 -0.10 0.00 0.00 0.00 0.00 61.98 61.46 1t39 s VAL 111 Cb -0.31 -0.76 0.02 0.00 0.00 0.00 0.00 36.38 35.33 1t39 s VAL 111 CO 0.59 -0.26 0.25 -0.51 0.00 0.00 0.00 175.10 175.17 1t39 s ILE 112 N -1.19 0.03 0.44 2.22 2.07 -0.32 -5.01 121.20 119.45 1t39 s ILE 112 Ca -0.06 -0.29 -0.22 0.00 -1.41 0.00 0.00 60.65 58.68 1t39 s ILE 112 Cb -0.09 -0.46 -0.09 0.00 0.13 0.00 0.00 42.46 41.95 1t39 s ILE 112 CO 0.01 -0.16 1.02 -0.55 -1.91 0.00 0.00 174.94 173.35 1t39 s SER 113 N -0.62 6.66 0.20 4.50 0.15 -1.26 -0.70 113.70 122.63 1t39 s SER 113 Ca -0.07 1.90 -0.15 0.00 0.70 0.00 0.00 55.95 58.33 1t39 s SER 113 Cb -0.04 -2.56 0.20 0.00 -1.71 0.00 0.00 66.02 61.90 1t39 s SER 113 CO 0.02 -0.56 1.63 1.88 1.20 0.00 0.00 173.24 177.40 1t39 h TYR 114 N 2.01 -0.41 0.51 3.44 0.05 -1.82 -0.75 116.97 120.00 1t39 h TYR 114 Ca -0.49 0.06 -0.02 0.00 0.05 0.00 0.00 58.73 58.32 1t39 h TYR 114 Cb 1.21 0.27 0.00 0.00 1.01 0.00 0.00 36.73 39.22 1t39 h TYR 114 CO 0.58 -0.28 -0.24 0.37 -1.05 0.00 0.00 178.16 177.54 1t39 h GLN 115 N -0.04 -0.65 -1.21 4.88 -0.00 -1.87 -2.25 115.11 113.97 1t39 h GLN 115 Ca 0.27 0.04 0.35 0.00 -0.00 0.00 0.00 58.65 59.31 1t39 h GLN 115 Cb 0.46 0.15 -0.07 0.00 0.00 0.00 0.00 27.48 28.02 1t39 h GLN 115 CO -0.61 -0.40 0.84 1.96 0.00 0.00 0.00 178.83 180.62 1t39 h GLN 116 N -0.75 0.11 -0.02 1.69 4.20 -1.62 0.45 115.11 119.16 1t39 h GLN 116 Ca -0.07 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 1t39 h GLN 116 Cb 0.56 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1t39 h GLN 116 CO 0.11 0.07 -0.27 1.25 -0.67 0.00 0.00 178.83 179.32 1t39 h LEU 117 N 0.11 0.28 -1.98 1.46 5.85 -0.87 -2.95 115.31 117.22 1t39 h LEU 117 Ca 0.62 -0.72 0.26 0.00 0.84 0.00 0.00 57.88 58.88 1t39 h LEU 117 Cb 2.19 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 43.10 1t39 h LEU 117 CO -0.12 0.96 0.64 0.00 -0.34 0.00 0.00 178.44 179.59 1t39 h ALA 118 N 0.33 2.82 0.27 1.25 0.00 0.42 0.58 119.26 124.93 1t39 h ALA 118 Ca -0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1t39 h ALA 118 Cb 0.98 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1t39 h ALA 118 CO 0.06 -1.08 -0.13 0.00 0.00 0.00 0.00 179.25 178.09 1t39 h ALA 119 N 1.55 -0.36 -0.98 0.00 0.00 -1.11 -2.80 119.26 115.56 1t39 h ALA 119 Ca 0.43 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 55.30 1t39 h ALA 119 Cb 1.69 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 19.53 1t39 h ALA 119 CO -0.01 -0.51 0.62 -0.07 0.00 0.00 0.00 179.25 179.27 1t39 h LEU 120 N -0.74 0.82 -0.77 0.00 3.38 0.15 0.17 115.31 118.32 1t39 h LEU 120 Ca -0.04 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1t39 h LEU 120 Cb 0.49 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1t39 h LEU 120 CO 0.06 0.38 0.00 0.00 0.09 0.00 0.00 178.44 178.97 1t39 n ALA 121 N -2.36 2.57 0.00 1.53 0.00 0.67 -4.96 120.51 117.95 1t39 n ALA 121 Ca 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1t39 n ALA 121 Cb 0.46 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.91 1t39 n ALA 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t39 n GLY 122 N 0.35 1.02 3.49 0.00 0.00 0.60 -4.87 105.19 105.79 1t39 n GLY 122 Ca 0.03 -0.73 -0.44 0.00 0.00 0.00 0.00 46.02 44.87 1t39 n GLY 122 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1t39 n ASN 123 N 0.69 1.93 0.10 1.61 5.15 -1.21 -4.31 115.26 119.23 1t39 n ASN 123 Ca 0.00 0.09 0.12 0.00 -0.60 0.00 0.00 54.58 54.20 1t39 n ASN 123 Cb 0.00 -1.31 0.28 0.00 -0.53 0.00 0.00 39.78 38.21 1t39 n ASN 123 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1t39 h PRO 124 N 14.56 0.00 -0.24 1.20 0.13 -1.84 -3.21 132.00 142.61 1t39 h PRO 124 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1t39 h PRO 124 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1t39 h PRO 124 CO 1.12 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.52 1t39 n LYS 125 N -2.33 1.56 -3.43 0.86 5.02 -1.26 -4.39 118.16 114.19 1t39 n LYS 125 Ca 0.04 -0.87 -0.27 0.00 -2.02 0.00 0.00 58.31 55.20 1t39 n LYS 125 Cb 0.45 -1.20 -0.08 0.00 -0.02 0.00 0.00 35.03 34.17 1t39 n LYS 125 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1t39 n ALA 126 N 0.20 3.69 0.04 7.82 0.00 -1.21 -4.83 120.51 126.21 1t39 n ALA 126 Ca 0.09 -4.47 -0.22 0.00 0.00 0.00 0.00 53.44 48.84 1t39 n ALA 126 Cb 0.21 -0.89 -0.14 0.00 0.00 0.00 0.00 19.45 18.62 1t39 n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t39 h ALA 127 N 4.32 0.21 -0.80 0.00 0.00 -1.85 -3.25 119.26 117.90 1t39 h ALA 127 Ca 0.17 -1.17 0.20 0.00 0.00 0.00 0.00 54.91 54.12 1t39 h ALA 127 Cb 0.72 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1t39 h ALA 127 CO 0.75 1.00 0.55 -0.09 0.00 0.00 0.00 179.25 181.46 1t39 h ARG 128 N -0.06 0.17 -0.00 0.00 2.43 -1.93 0.78 114.38 115.77 1t39 h ARG 128 Ca -0.35 -0.01 -0.22 0.00 -0.81 0.00 0.00 59.98 58.60 1t39 h ARG 128 Cb 1.96 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 31.47 1t39 h ARG 128 CO 0.11 0.12 -0.92 0.00 -1.51 0.00 0.00 179.97 177.77 1t39 h ALA 129 N 1.62 0.41 0.00 2.80 0.00 -1.95 -2.35 119.26 119.80 1t39 h ALA 129 Ca 0.39 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1t39 h ALA 129 Cb 1.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1t39 h ALA 129 CO -0.07 0.84 0.00 0.28 0.00 0.00 0.00 179.25 180.30 1t39 h VAL 130 N 0.20 0.00 0.11 0.00 2.07 0.53 0.11 116.25 119.26 1t39 h VAL 130 Ca -0.07 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1t39 h VAL 130 Cb 1.55 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1t39 h VAL 130 CO 0.15 0.00 -0.05 1.23 0.02 0.00 0.00 177.57 178.92 1t39 h GLY 131 N 0.34 -0.15 1.20 2.17 0.00 -0.85 -0.68 103.07 105.10 1t39 h GLY 131 Ca 0.00 0.06 0.06 0.00 0.00 0.00 0.00 47.33 47.44 1t39 h GLY 131 CO 0.00 -0.05 0.35 -1.33 0.00 0.00 0.00 176.54 175.50 1t39 h GLY 132 N -0.61 0.00 0.79 4.60 0.00 -1.39 0.77 103.07 107.23 1t39 h GLY 132 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.22 1t39 h GLY 132 CO 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 176.54 176.30 1t39 h ALA 133 N 1.48 0.23 -0.51 3.60 0.00 -0.78 -2.54 119.26 120.74 1t39 h ALA 133 Ca 0.09 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1t39 h ALA 133 Cb 0.79 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1t39 h ALA 133 CO -0.00 0.23 0.10 0.52 0.00 0.00 0.00 179.25 180.09 1t39 h MET 134 N 0.06 0.84 -0.12 0.00 2.86 0.21 -2.34 114.93 116.44 1t39 h MET 134 Ca 0.01 -0.22 -0.07 0.00 -2.06 0.00 0.00 59.70 57.36 1t39 h MET 134 Cb 0.85 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 1t39 h MET 134 CO 0.06 0.82 -0.25 0.07 1.06 0.00 0.00 176.91 178.67 1t39 h ARG 135 N 0.72 0.21 0.00 1.72 0.11 -1.24 -0.50 114.38 115.40 1t39 h ARG 135 Ca 0.16 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 60.17 1t39 h ARG 135 Cb 0.38 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.44 1t39 h ARG 135 CO 0.01 0.46 0.00 0.41 0.10 0.00 0.00 179.97 180.94 1t39 n GLY 136 N -0.59 -0.71 3.61 0.08 0.00 -0.90 -4.70 105.19 101.98 1t39 n GLY 136 Ca -0.01 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 1t39 n GLY 136 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1t39 s ASN 137 N -2.61 5.99 0.05 1.61 2.47 -0.20 -4.88 114.94 117.37 1t39 s ASN 137 Ca 0.11 1.62 -0.03 0.00 0.42 0.00 0.00 52.86 54.98 1t39 s ASN 137 Cb 0.08 -2.52 -0.28 0.00 -1.45 0.00 0.00 41.25 37.08 1t39 s ASN 137 CO 0.19 -1.57 1.03 1.55 -3.72 0.00 0.00 177.10 174.58 1t39 h PRO 138 N 12.50 0.24 -2.97 0.43 0.13 -1.88 -3.40 132.00 137.06 1t39 h PRO 138 Ca -0.36 -0.42 -0.75 0.00 -0.87 0.00 0.00 66.00 63.60 1t39 h PRO 138 Cb 1.18 0.16 -0.32 0.00 0.13 0.00 0.00 31.00 32.15 1t39 h PRO 138 CO 1.00 1.15 0.29 1.33 -0.23 0.00 0.00 178.00 181.55 1t39 n VAL 139 N -3.48 4.18 -1.22 1.56 0.24 -1.26 -3.22 118.33 115.12 1t39 n VAL 139 Ca -0.11 -5.55 -0.30 0.00 -2.04 0.00 0.00 64.34 56.35 1t39 n VAL 139 Cb 1.03 -2.23 0.14 0.00 -1.47 0.00 0.00 33.84 31.31 1t39 n VAL 139 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1t39 s PRO 140 N -2.20 1.28 0.00 7.34 0.04 -1.26 -0.73 135.00 139.47 1t39 s PRO 140 Ca 0.32 0.80 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1t39 s PRO 140 Cb 0.02 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.75 1t39 s PRO 140 CO 0.01 -2.22 0.00 -0.89 0.04 0.00 0.00 177.00 173.93 1t39 n ILE 141 N -3.87 0.00 -0.06 0.56 5.41 -1.26 -4.26 119.36 115.88 1t39 n ILE 141 Ca 0.07 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.68 1t39 n ILE 141 Cb 0.55 0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 39.36 1t39 n ILE 141 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1t39 h LEU 142 N 0.00 0.00 -7.87 1.39 5.85 -1.98 -3.36 115.31 109.34 1t39 h LEU 142 Ca 0.00 -0.92 -0.72 0.00 0.84 0.00 0.00 57.88 57.08 1t39 h LEU 142 Cb 0.00 -0.00 -0.30 0.00 0.37 0.00 0.00 40.66 40.72 1t39 h LEU 142 CO 0.00 0.92 -0.36 -0.63 -0.34 0.00 0.00 178.44 178.03 1t39 s ILE 143 N -2.54 4.18 0.00 4.05 1.01 0.10 -4.90 121.20 123.10 1t39 s ILE 143 Ca -0.18 -2.05 -0.28 0.00 0.00 0.00 0.00 60.65 58.14 1t39 s ILE 143 Cb -0.02 -3.74 -0.34 0.00 0.01 0.00 0.00 42.46 38.36 1t39 s ILE 143 CO 0.69 -0.81 1.48 -0.81 0.00 0.00 0.00 174.94 175.49 1t39 n PRO 144 N 4.59 0.00 0.00 2.79 -0.04 -1.26 -4.27 135.00 136.81 1t39 n PRO 144 Ca -0.03 -0.90 0.02 0.00 -0.04 0.00 0.00 63.50 62.54 1t39 n PRO 144 Cb 0.41 -2.36 0.10 0.00 -0.04 0.00 0.00 33.50 31.62 1t39 n PRO 144 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1t39 n HIS 146 N -0.60 0.99 0.30 0.00 1.44 -1.26 -3.78 115.22 112.32 1t39 n HIS 146 Ca 0.03 0.36 0.18 0.00 -2.01 0.00 0.00 57.72 56.27 1t39 n HIS 146 Cb 0.01 -1.18 0.80 0.00 0.12 0.00 0.00 29.99 29.74 1t39 n HIS 146 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1t39 h ARG 147 N 0.00 0.00 -6.72 -1.40 2.47 -1.73 -3.43 114.38 103.57 1t39 h ARG 147 Ca -0.29 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 57.91 1t39 h ARG 147 Cb 2.02 0.00 0.05 0.00 -1.65 0.00 0.00 29.97 30.38 1t39 h ARG 147 CO 0.08 0.00 0.70 0.08 0.56 0.00 0.00 179.97 181.39 1t39 s VAL 148 N -3.75 2.92 -0.07 2.04 1.01 -1.25 -1.17 120.40 120.14 1t39 s VAL 148 Ca -0.00 0.77 -0.13 0.00 0.00 0.00 0.00 61.98 62.62 1t39 s VAL 148 Cb 0.10 -3.49 0.03 0.00 0.00 0.00 0.00 36.38 33.01 1t39 s VAL 148 CO 0.47 0.12 0.31 0.68 0.00 0.00 0.00 175.10 176.68 1t39 s VAL 149 N 0.01 0.03 0.53 2.92 -7.23 0.12 -4.91 120.40 111.88 1t39 s VAL 149 Ca 0.58 -0.24 -0.20 0.00 -1.81 0.00 0.00 61.98 60.31 1t39 s VAL 149 Cb -0.39 -0.52 -0.08 0.00 0.56 0.00 0.00 36.38 35.94 1t39 s VAL 149 CO 0.41 -0.13 0.78 0.00 -0.31 0.00 0.00 175.10 175.85 1t39 h SER 151 N 0.68 0.00 -0.75 0.00 0.02 -1.96 -2.76 113.55 108.79 1t39 h SER 151 Ca -0.46 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 60.56 1t39 h SER 151 Cb 1.37 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.85 1t39 h SER 151 CO 0.51 0.03 0.43 0.28 -1.14 0.00 0.00 176.83 176.93 1t39 h SER 152 N 0.00 0.63 0.00 3.07 0.02 -2.05 -3.46 113.55 111.76 1t39 h SER 152 Ca -0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1t39 h SER 152 Cb 0.37 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1t39 h SER 152 CO 0.00 0.39 0.00 0.61 -1.14 0.00 0.00 176.83 176.69 1t39 n GLY 153 N -1.30 0.67 3.97 -3.77 0.00 -1.04 -5.13 105.19 98.58 1t39 n GLY 153 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 1t39 n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t39 s ALA 154 N -1.59 3.88 0.37 4.61 0.00 -1.26 -5.00 121.76 122.77 1t39 s ALA 154 Ca 0.00 -1.21 0.11 0.00 0.00 0.00 0.00 51.96 50.86 1t39 s ALA 154 Cb 0.00 -2.06 0.73 0.00 0.00 0.00 0.00 23.12 21.80 1t39 s ALA 154 CO 0.00 -0.47 1.86 0.28 0.00 0.00 0.00 175.76 177.42 1t39 h VAL 155 N 0.34 1.22 0.00 0.00 2.07 -1.95 -3.24 116.25 114.69 1t39 h VAL 155 Ca -0.44 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.02 1t39 h VAL 155 Cb 1.27 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 1t39 h VAL 155 CO 0.55 0.31 0.00 0.61 0.02 0.00 0.00 177.57 179.06 1t39 n GLY 156 N -0.64 0.26 3.79 2.17 0.00 -1.26 -4.62 105.19 104.89 1t39 n GLY 156 Ca -0.01 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 1t39 n GLY 156 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1t39 s ASN 157 N -4.00 4.18 -0.19 1.61 0.02 -1.26 -5.01 114.94 110.29 1t39 s ASN 157 Ca 0.00 -1.68 -0.27 0.00 -1.02 0.00 0.00 52.86 49.89 1t39 s ASN 157 Cb 0.00 0.64 0.08 0.00 0.02 0.00 0.00 41.25 41.99 1t39 s ASN 157 CO 0.00 -0.91 0.76 -0.47 0.02 0.00 0.00 177.10 176.50 1t39 s TYR 158 N -2.90 -0.68 0.03 2.20 5.04 -1.26 -4.99 117.35 114.79 1t39 s TYR 158 Ca 0.03 1.49 -0.25 0.00 -2.44 0.00 0.00 57.07 55.90 1t39 s TYR 158 Cb 0.00 0.34 -0.18 0.00 0.35 0.00 0.00 41.96 42.48 1t39 s TYR 158 CO 0.02 -0.44 1.49 0.77 -1.34 0.00 0.00 175.55 176.05 1t39 h SER 159 N 4.07 -0.03 -0.25 4.32 0.02 -1.98 -3.25 113.55 116.46 1t39 h SER 159 Ca -0.27 -0.24 -0.22 0.00 -0.84 0.00 0.00 61.79 60.21 1t39 h SER 159 Cb 1.16 0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.62 1t39 h SER 159 CO 0.19 0.23 -0.08 0.61 -1.14 0.00 0.00 176.83 176.64 1t39 n GLY 160 N -0.43 3.26 0.42 -3.77 0.00 -1.26 -4.89 105.19 98.53 1t39 n GLY 160 Ca -0.08 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1t39 n GLY 160 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t39 n GLY 161 N 1.76 -3.71 0.37 -0.02 0.00 -1.23 -4.35 105.19 98.01 1t39 n GLY 161 Ca 0.34 -0.85 0.19 0.00 0.00 0.00 0.00 46.02 45.70 1t39 n GLY 161 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1t39 h LEU 162 N 0.67 0.00 -0.69 0.99 6.46 -1.90 -1.81 115.31 119.03 1t39 h LEU 162 Ca 0.00 0.00 0.12 0.00 -0.12 0.00 0.00 57.88 57.88 1t39 h LEU 162 Cb 0.00 0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 39.84 1t39 h LEU 162 CO 0.00 0.00 0.25 0.00 -0.62 0.00 0.00 178.44 178.07 1t39 h ALA 163 N 1.67 0.92 -0.73 1.25 0.00 -1.96 -1.31 119.26 119.11 1t39 h ALA 163 Ca 0.18 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1t39 h ALA 163 Cb 0.85 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1t39 h ALA 163 CO -0.00 -0.22 0.30 0.28 0.00 0.00 0.00 179.25 179.62 1t39 h VAL 164 N 0.41 1.24 -0.78 0.00 2.07 -1.52 -2.15 116.25 115.52 1t39 h VAL 164 Ca 0.37 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1t39 h VAL 164 Cb 0.52 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1t39 h VAL 164 CO -0.38 0.31 0.47 0.50 0.02 0.00 0.00 177.57 178.49 1t39 h LYS 165 N 1.05 1.06 0.55 1.57 3.64 -1.35 -1.05 116.57 122.04 1t39 h LYS 165 Ca 0.25 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 1t39 h LYS 165 Cb 0.18 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1t39 h LYS 165 CO -0.02 0.75 -0.27 0.93 -2.27 0.00 0.00 179.45 178.56 1t39 h GLU 166 N 1.08 -0.73 -0.60 1.90 4.39 -0.94 -0.75 114.58 118.93 1t39 h GLU 166 Ca 0.28 0.05 0.12 0.00 0.34 0.00 0.00 59.36 60.15 1t39 h GLU 166 Cb -0.04 0.17 -0.11 0.00 -0.10 0.00 0.00 28.75 28.66 1t39 h GLU 166 CO -0.05 -0.48 -0.12 2.35 -1.16 0.00 0.00 179.01 179.55 1t39 h TRP 167 N -0.75 -0.26 0.65 4.33 7.01 -1.30 0.40 115.95 126.02 1t39 h TRP 167 Ca -0.08 0.05 -0.02 0.00 2.11 0.00 0.00 58.89 60.95 1t39 h TRP 167 Cb 0.58 0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.84 1t39 h TRP 167 CO 0.09 -0.24 -0.48 -0.07 -2.79 0.00 0.00 178.44 174.95 1t39 h LEU 168 N 0.02 -1.25 -0.56 0.65 3.38 -1.13 1.03 115.31 117.45 1t39 h LEU 168 Ca 0.30 0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.46 1t39 h LEU 168 Cb 0.46 0.38 -0.09 0.00 0.09 0.00 0.00 40.66 41.50 1t39 h LEU 168 CO -0.60 -0.69 0.02 -0.07 0.09 0.00 0.00 178.44 177.19 1t39 h LEU 169 N -1.08 -0.20 0.27 1.67 3.38 -0.58 -0.18 115.31 118.58 1t39 h LEU 169 Ca -0.08 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1t39 h LEU 169 Cb 0.90 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 1t39 h LEU 169 CO 0.03 -0.08 -0.46 0.00 0.09 0.00 0.00 178.44 178.03 1t39 h ALA 170 N 1.50 -1.02 -0.77 1.53 0.00 0.36 -1.48 119.26 119.38 1t39 h ALA 170 Ca 0.29 -0.13 0.21 0.00 0.00 0.00 0.00 54.91 55.28 1t39 h ALA 170 Cb 0.45 0.77 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1t39 h ALA 170 CO -0.46 -1.10 0.54 1.25 0.00 0.00 0.00 179.25 179.48 1t39 h HIS 171 N -0.77 0.13 0.00 0.00 -0.00 0.19 0.97 115.15 115.67 1t39 h HIS 171 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 1t39 h HIS 171 Cb 0.72 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 28.09 1t39 h HIS 171 CO -0.34 0.04 0.00 0.39 -0.00 0.00 0.00 177.93 178.02 1t39 n GLU 172 N -4.36 0.04 0.00 5.26 1.02 -0.16 -4.95 120.64 117.49 1t39 n GLU 172 Ca 0.15 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 1t39 n GLU 172 Cb 0.77 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 1t39 n GLU 172 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1t39 n GLY 173 N 1.10 0.33 0.00 0.62 0.00 0.34 -4.64 105.19 102.93 1t39 n GLY 173 Ca 0.06 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1t39 n GLY 173 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74