#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ti8 h LEU 2 N 0.00 0.00 -1.46 0.99 3.38 -1.94 -1.09 115.31 115.18 1ti8 h LEU 2 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ti8 h LEU 2 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ti8 h LEU 2 CO 0.00 0.00 -0.04 0.49 0.09 0.00 0.00 178.44 178.98 1ti8 n PHE 3 N -3.24 0.00 -1.12 1.13 3.01 -1.26 -4.94 117.46 111.03 1ti8 n PHE 3 Ca 0.06 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.48 1ti8 n PHE 3 Cb 0.71 -0.01 -0.02 0.00 -0.01 0.00 0.00 39.48 40.16 1ti8 n PHE 3 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ti8 n GLY 4 N 1.29 0.41 0.00 1.37 0.00 -0.42 -4.87 105.19 102.97 1ti8 n GLY 4 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1ti8 n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ti8 n ALA 5 N 1.08 0.00 -1.87 4.61 0.00 -1.26 -1.72 120.51 121.34 1ti8 n ALA 5 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.99 1ti8 n ALA 5 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.94 1ti8 n ALA 5 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ti8 s ILE 6 N 0.00 2.61 -1.48 0.00 1.01 -1.26 -1.02 121.20 121.06 1ti8 s ILE 6 Ca 0.00 0.51 -0.05 0.00 0.00 0.00 0.00 60.65 61.11 1ti8 s ILE 6 Cb 0.00 -3.32 0.01 0.00 0.01 0.00 0.00 42.46 39.15 1ti8 s ILE 6 CO 0.00 0.08 0.65 0.00 0.00 0.00 0.00 174.94 175.67 1ti8 n ALA 7 N 2.44 -0.97 -2.31 9.38 0.00 -1.24 -4.50 120.51 123.32 1ti8 n ALA 7 Ca 0.07 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1ti8 n ALA 7 Cb 0.40 -3.95 0.00 0.00 0.00 0.00 0.00 19.45 15.90 1ti8 n ALA 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ti8 n GLY 8 N -1.55 4.35 0.05 0.00 0.00 -0.19 -4.82 105.19 103.04 1ti8 n GLY 8 Ca -0.10 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1ti8 n GLY 8 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1ti8 n PHE 9 N 0.00 0.00 -3.85 1.61 1.16 -0.70 -3.40 117.46 112.28 1ti8 n PHE 9 Ca 0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 57.45 55.28 1ti8 n PHE 9 Cb 0.00 -0.01 -0.15 0.00 -1.61 0.00 0.00 39.48 37.71 1ti8 n PHE 9 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 1ti8 s ILE 10 N -1.90 1.29 0.00 1.97 -1.09 -1.21 -3.88 121.20 116.38 1ti8 s ILE 10 Ca 0.00 -1.46 0.00 0.00 -2.23 0.00 0.00 60.65 56.96 1ti8 s ILE 10 Cb 0.00 -1.84 0.00 0.00 -1.58 0.00 0.00 42.46 39.04 1ti8 s ILE 10 CO 0.00 -0.46 0.66 -0.62 -1.23 0.00 0.00 174.94 173.28 1ti8 n GLU 11 N 4.70 0.00 -4.15 2.79 -0.58 -1.22 -3.62 120.64 118.57 1ti8 n GLU 11 Ca -0.04 0.50 -0.25 0.00 -0.42 0.00 0.00 57.16 56.94 1ti8 n GLU 11 Cb 0.43 -1.16 -0.06 0.00 -0.57 0.00 0.00 31.44 30.09 1ti8 n GLU 11 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1ti8 n ASN 12 N -1.42 2.56 -4.99 1.62 6.94 -1.26 -4.40 115.26 114.30 1ti8 n ASN 12 Ca 0.00 -2.83 -0.23 0.00 -0.02 0.00 0.00 54.58 51.51 1ti8 n ASN 12 Cb 0.00 0.47 0.04 0.00 -2.36 0.00 0.00 39.78 37.93 1ti8 n ASN 12 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1ti8 s GLY 13 N -3.24 1.96 -0.31 4.83 0.00 -1.26 -4.98 107.32 104.32 1ti8 s GLY 13 Ca 0.05 -1.82 -0.09 0.00 0.00 0.00 0.00 44.72 42.86 1ti8 s GLY 13 CO 0.04 -1.81 0.14 -0.98 0.00 0.00 0.00 173.10 170.49 1ti8 s TRP 14 N -2.75 3.17 -1.44 1.90 0.51 -1.26 -4.94 118.94 114.13 1ti8 s TRP 14 Ca 0.51 -0.61 0.20 0.00 -2.12 0.00 0.00 56.10 54.08 1ti8 s TRP 14 Cb -0.04 -2.34 1.00 0.00 -0.81 0.00 0.00 33.47 31.28 1ti8 s TRP 14 CO 0.33 -0.47 1.62 0.39 -0.51 0.00 0.00 176.95 178.31 1ti8 n GLU 15 N 4.97 0.29 0.00 4.98 1.02 -1.26 -2.41 120.64 128.22 1ti8 n GLU 15 Ca -0.14 0.10 0.10 0.00 -0.02 0.00 0.00 57.16 57.20 1ti8 n GLU 15 Cb 0.49 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.32 1ti8 n GLU 15 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ti8 n GLY 16 N 0.40 -0.76 2.25 0.62 0.00 -1.26 -4.59 105.19 101.85 1ti8 n GLY 16 Ca 0.09 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 1ti8 n GLY 16 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ti8 n LEU 17 N -1.17 7.50 -0.16 0.99 7.94 -1.01 -4.61 117.00 126.46 1ti8 n LEU 17 Ca 0.05 -4.07 0.00 0.00 -1.11 0.00 0.00 56.01 50.88 1ti8 n LEU 17 Cb 0.36 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 42.84 1ti8 n LEU 17 CO 0.39 1.94 0.42 2.30 -1.11 0.00 0.00 177.39 181.34 1ti8 n ILE 18 N 2.83 0.01 0.04 1.96 -0.00 -1.26 -3.58 119.36 119.35 1ti8 n ILE 18 Ca 0.64 -0.00 -0.22 0.00 -0.00 0.00 0.00 62.75 63.17 1ti8 n ILE 18 Cb 0.46 -0.16 -0.14 0.00 -0.00 0.00 0.00 39.64 39.79 1ti8 n ILE 18 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 1ti8 h ASP 19 N 0.01 0.50 -0.97 7.28 1.82 -1.96 -3.50 116.42 119.60 1ti8 h ASP 19 Ca 0.00 -0.91 0.00 0.00 -0.39 0.00 0.00 57.03 55.73 1ti8 h ASP 19 Cb 0.16 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1ti8 h ASP 19 CO 0.00 1.77 0.00 0.61 -1.61 0.00 0.00 179.24 180.01 1ti8 n GLY 20 N 1.86 3.44 0.12 -0.78 0.00 -1.24 -4.97 105.19 103.63 1ti8 n GLY 20 Ca -0.27 -1.26 -0.21 0.00 0.00 0.00 0.00 46.02 44.28 1ti8 n GLY 20 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1ti8 h TRP 21 N 0.64 0.37 -0.62 1.61 4.06 -1.85 -3.48 115.95 116.68 1ti8 h TRP 21 Ca 0.00 -0.27 -0.66 0.00 2.06 0.00 0.00 58.89 60.02 1ti8 h TRP 21 Cb 0.00 -0.01 -0.12 0.00 -1.00 0.00 0.00 29.16 28.02 1ti8 h TRP 21 CO 0.00 1.48 -0.51 0.71 -3.56 0.00 0.00 178.44 176.56 1ti8 s TYR 22 N -2.44 1.97 0.00 0.49 1.51 -1.26 -5.03 117.35 112.59 1ti8 s TYR 22 Ca -0.20 -0.89 0.00 0.00 -1.01 0.00 0.00 57.07 54.97 1ti8 s TYR 22 Cb 0.04 -1.68 0.00 0.00 -0.11 0.00 0.00 41.96 40.21 1ti8 s TYR 22 CO 0.75 0.20 0.00 0.41 -1.11 0.00 0.00 175.55 175.80 1ti8 n GLY 23 N -1.26 0.61 3.59 0.71 0.00 -1.26 -0.90 105.19 106.68 1ti8 n GLY 23 Ca -0.15 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.57 1ti8 n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ti8 s PHE 24 N -2.00 3.03 -0.25 1.61 0.40 0.13 -4.83 117.98 116.06 1ti8 s PHE 24 Ca 0.00 -0.00 0.00 0.00 -0.60 0.00 0.00 56.93 56.33 1ti8 s PHE 24 Cb 0.00 -1.79 0.07 0.00 0.51 0.00 0.00 43.02 41.81 1ti8 s PHE 24 CO 0.00 0.28 -0.00 0.50 0.70 0.00 0.00 175.22 176.70 1ti8 s ARG 25 N -0.54 1.30 0.37 0.44 3.52 -1.26 -1.16 118.95 121.61 1ti8 s ARG 25 Ca 0.09 -1.02 0.08 0.00 -0.13 0.00 0.00 55.73 54.75 1ti8 s ARG 25 Cb -0.12 -2.48 -0.03 0.00 -1.56 0.00 0.00 34.95 30.76 1ti8 s ARG 25 CO 0.02 -0.71 0.26 -3.38 -0.81 0.00 0.00 175.30 170.69 1ti8 s HIS 26 N 1.45 2.77 -0.42 5.12 -3.43 -0.89 -5.00 115.29 114.90 1ti8 s HIS 26 Ca -0.01 -0.40 0.06 0.00 -0.80 0.00 0.00 55.06 53.92 1ti8 s HIS 26 Cb -0.18 -1.87 0.22 0.00 -1.43 0.00 0.00 32.58 29.31 1ti8 s HIS 26 CO -0.10 0.14 0.52 0.94 -2.00 0.00 0.00 174.74 174.24 1ti8 n GLN 27 N -1.35 0.53 -2.06 -0.38 7.27 -1.26 -2.85 117.38 117.28 1ti8 n GLN 27 Ca -0.01 -2.95 -0.28 0.00 0.07 0.00 0.00 57.00 53.84 1ti8 n GLN 27 Cb 0.61 -1.41 0.12 0.00 2.41 0.00 0.00 30.24 31.97 1ti8 n GLN 27 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1ti8 s ASN 28 N -0.68 4.07 0.00 1.69 4.22 -1.24 -4.95 114.94 118.05 1ti8 s ASN 28 Ca 0.34 0.40 0.00 0.00 -2.14 0.00 0.00 52.86 51.46 1ti8 s ASN 28 Cb 0.12 -0.76 0.00 0.00 1.28 0.00 0.00 41.25 41.89 1ti8 s ASN 28 CO -0.15 -2.12 0.59 0.00 -2.04 0.00 0.00 177.10 173.38 1ti8 n ALA 29 N -3.33 0.00 -1.00 3.54 0.00 -1.26 -3.87 120.51 114.59 1ti8 n ALA 29 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1ti8 n ALA 29 Cb 0.60 0.30 0.00 0.00 0.00 0.00 0.00 19.45 20.35 1ti8 n ALA 29 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ti8 n GLN 30 N -2.45 0.00 -4.36 0.00 6.02 -1.26 -4.97 117.38 110.36 1ti8 n GLN 30 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.72 1ti8 n GLN 30 Cb 0.00 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.18 1ti8 n GLN 30 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1ti8 s GLY 31 N 0.00 2.48 0.00 1.08 0.00 -1.25 -5.14 107.32 104.49 1ti8 s GLY 31 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 44.72 42.81 1ti8 s GLY 31 CO 0.00 -2.01 0.00 1.18 0.00 0.00 0.00 173.10 172.27 1ti8 n GLU 32 N -1.19 3.11 0.00 2.90 1.02 -1.26 -3.68 120.64 121.55 1ti8 n GLU 32 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1ti8 n GLU 32 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.08 1ti8 n GLU 32 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ti8 n GLY 33 N 5.00 3.91 2.64 0.62 0.00 -1.13 -4.90 105.19 111.33 1ti8 n GLY 33 Ca 0.00 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 1ti8 n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ti8 s THR 34 N -1.68 0.29 -0.08 2.61 2.01 -1.26 -2.09 115.64 115.43 1ti8 s THR 34 Ca 0.00 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.22 1ti8 s THR 34 Cb 0.00 -1.12 -0.01 0.00 0.01 0.00 0.00 72.50 71.38 1ti8 s THR 34 CO 0.00 -0.56 -0.19 0.00 -0.69 0.00 0.00 174.62 173.18 1ti8 s ALA 35 N 1.93 2.39 0.57 7.40 0.00 -0.31 -4.97 121.76 128.77 1ti8 s ALA 35 Ca 0.06 -0.98 -0.18 0.00 0.00 0.00 0.00 51.96 50.87 1ti8 s ALA 35 Cb -0.17 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 1ti8 s ALA 35 CO -0.25 0.37 1.10 0.00 0.00 0.00 0.00 175.76 176.99 1ti8 s ALA 36 N -0.04 2.67 -0.44 0.00 0.00 -1.26 0.19 121.76 122.88 1ti8 s ALA 36 Ca -0.05 0.65 -0.12 0.00 0.00 0.00 0.00 51.96 52.43 1ti8 s ALA 36 Cb -0.14 -3.31 0.07 0.00 0.00 0.00 0.00 23.12 19.73 1ti8 s ALA 36 CO 0.05 -0.84 0.31 0.34 0.00 0.00 0.00 175.76 175.61 1ti8 s ASP 37 N -2.19 5.90 0.19 0.00 2.15 -0.08 -4.78 116.67 117.87 1ti8 s ASP 37 Ca 0.69 -1.32 -0.11 0.00 0.43 0.00 0.00 52.55 52.23 1ti8 s ASP 37 Cb -0.21 -2.09 0.20 0.00 -0.30 0.00 0.00 42.92 40.52 1ti8 s ASP 37 CO 0.31 -0.56 1.77 0.22 -0.17 0.00 0.00 175.17 176.75 1ti8 h TYR 38 N 8.57 0.46 0.00 -5.34 3.20 -1.95 -3.01 116.97 118.90 1ti8 h TYR 38 Ca -0.26 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.64 1ti8 h TYR 38 Cb 1.10 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.24 1ti8 h TYR 38 CO 0.61 0.19 0.00 1.17 -1.64 0.00 0.00 178.16 178.50 1ti8 n LYS 39 N -4.91 0.00 -0.05 1.82 3.00 -1.26 -1.45 118.16 115.30 1ti8 n LYS 39 Ca 0.06 0.75 -0.08 0.00 -0.00 0.00 0.00 58.31 59.05 1ti8 n LYS 39 Cb 0.19 -1.41 -0.01 0.00 0.00 0.00 0.00 35.03 33.79 1ti8 n LYS 39 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1ti8 h SER 40 N 0.00 -0.48 -0.37 3.14 4.64 -1.96 -2.46 113.55 116.06 1ti8 h SER 40 Ca 0.00 0.11 0.08 0.00 -0.47 0.00 0.00 61.79 61.50 1ti8 h SER 40 Cb 0.00 0.25 -0.09 0.00 -0.31 0.00 0.00 62.40 62.26 1ti8 h SER 40 CO 0.00 -0.18 -0.29 0.74 -0.87 0.00 0.00 176.83 176.22 1ti8 h THR 41 N -0.13 0.28 -0.68 2.95 2.02 -1.43 -0.77 112.91 115.15 1ti8 h THR 41 Ca 0.13 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.29 1ti8 h THR 41 Cb 0.33 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 1ti8 h THR 41 CO -0.32 0.00 0.35 -0.61 0.37 0.00 0.00 175.52 175.31 1ti8 h GLN 42 N -0.24 0.95 -0.29 6.66 5.75 -1.08 -0.94 115.11 125.93 1ti8 h GLN 42 Ca 0.17 -0.11 0.04 0.00 -0.15 0.00 0.00 58.65 58.60 1ti8 h GLN 42 Cb 0.52 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 28.84 1ti8 h GLN 42 CO -0.50 0.72 0.04 1.03 -2.65 0.00 0.00 178.83 177.47 1ti8 h SER 43 N 0.95 -0.02 0.33 -0.69 0.87 -0.69 -0.21 113.55 114.09 1ti8 h SER 43 Ca 0.24 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.83 1ti8 h SER 43 Cb 0.06 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1ti8 h SER 43 CO -0.04 0.02 -0.16 0.00 -0.53 0.00 0.00 176.83 176.13 1ti8 h ALA 44 N 1.22 -0.83 -0.69 6.23 0.00 -0.95 -2.96 119.26 121.29 1ti8 h ALA 44 Ca 0.13 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1ti8 h ALA 44 Cb 0.15 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 1ti8 h ALA 44 CO -0.19 -0.80 -0.41 -0.89 0.00 0.00 0.00 179.25 176.97 1ti8 n ILE 45 N -3.57 -0.47 -0.27 0.00 5.41 -0.39 -0.69 119.36 119.38 1ti8 n ILE 45 Ca -0.06 1.84 -0.09 0.00 1.00 0.00 0.00 62.75 65.45 1ti8 n ILE 45 Cb 0.18 -2.30 -0.05 0.00 -0.71 0.00 0.00 39.64 36.76 1ti8 n ILE 45 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1ti8 h ASP 46 N 0.00 -1.69 -0.35 4.38 3.45 -1.11 0.63 116.42 121.72 1ti8 h ASP 46 Ca 0.11 0.27 0.05 0.00 0.43 0.00 0.00 57.03 57.89 1ti8 h ASP 46 Cb 0.28 0.77 -0.04 0.00 -0.56 0.00 0.00 39.33 39.77 1ti8 h ASP 46 CO -0.65 -0.31 0.09 1.56 -1.57 0.00 0.00 179.24 178.36 1ti8 h GLN 47 N -0.16 0.21 -0.60 3.56 4.20 -0.72 0.46 115.11 122.04 1ti8 h GLN 47 Ca 0.19 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.82 1ti8 h GLN 47 Cb 0.54 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 1ti8 h GLN 47 CO -0.78 0.14 0.11 0.82 -0.67 0.00 0.00 178.83 178.44 1ti8 h ILE 48 N 0.21 1.25 0.00 2.54 2.04 0.22 0.36 117.51 124.14 1ti8 h ILE 48 Ca 0.17 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 1ti8 h ILE 48 Cb 0.18 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1ti8 h ILE 48 CO -0.20 0.35 -0.04 0.74 0.00 0.00 0.00 178.15 179.00 1ti8 h THR 49 N 0.91 0.69 0.79 -0.27 2.02 0.95 -2.45 112.91 115.56 1ti8 h THR 49 Ca 0.19 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 67.18 1ti8 h THR 49 Cb 0.39 1.09 0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1ti8 h THR 49 CO 0.01 0.04 -0.39 1.23 0.37 0.00 0.00 175.52 176.77 1ti8 h GLY 50 N 0.19 -1.15 -0.12 2.16 0.00 0.19 -1.68 103.07 102.67 1ti8 h GLY 50 Ca -0.00 0.43 0.03 0.00 0.00 0.00 0.00 47.33 47.79 1ti8 h GLY 50 CO 0.01 -0.41 -0.54 0.50 0.00 0.00 0.00 176.54 176.09 1ti8 h LYS 51 N -1.08 -0.57 -1.02 4.80 1.57 -1.00 0.11 116.57 119.39 1ti8 h LYS 51 Ca -0.11 0.04 0.36 0.00 -1.87 0.00 0.00 60.65 59.07 1ti8 h LYS 51 Cb 0.83 0.13 -0.16 0.00 0.08 0.00 0.00 32.23 33.11 1ti8 h LYS 51 CO 0.17 -0.38 0.58 1.25 -0.57 0.00 0.00 179.45 180.49 1ti8 h LEU 52 N -0.60 0.44 0.03 2.94 5.85 -1.47 0.91 115.31 123.41 1ti8 h LEU 52 Ca 0.03 0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 1ti8 h LEU 52 Cb 0.68 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.89 1ti8 h LEU 52 CO -0.42 -0.24 -0.01 0.78 -0.34 0.00 0.00 178.44 178.21 1ti8 h ASN 53 N 0.21 -0.03 -0.95 1.25 -0.26 0.01 -2.15 115.58 113.65 1ti8 h ASN 53 Ca 0.78 -0.43 0.22 0.00 -0.56 0.00 0.00 56.30 56.32 1ti8 h ASN 53 Cb 1.91 0.01 -0.07 0.00 -1.06 0.00 0.00 38.32 39.11 1ti8 h ASN 53 CO -0.65 0.42 0.63 -0.09 -1.06 0.00 0.00 177.43 176.67 1ti8 h ARG 54 N -0.48 0.38 0.00 0.81 2.43 0.31 -1.22 114.38 116.60 1ti8 h ARG 54 Ca -0.00 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 1ti8 h ARG 54 Cb 0.45 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1ti8 h ARG 54 CO 0.01 0.25 -0.49 -0.07 -1.51 0.00 0.00 179.97 178.16 1ti8 h LEU 55 N 0.39 0.00 -6.76 3.80 3.38 -0.44 -3.38 115.31 112.30 1ti8 h LEU 55 Ca 0.51 0.00 -0.79 0.00 0.09 0.00 0.00 57.88 57.68 1ti8 h LEU 55 Cb 1.30 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.81 1ti8 h LEU 55 CO -0.20 0.31 1.21 -0.38 0.09 0.00 0.00 178.44 179.47 1ti8 n ILE 56 N -3.10 5.01 -4.15 1.22 5.41 -0.46 -5.00 119.36 118.29 1ti8 n ILE 56 Ca 0.01 -5.41 -0.24 0.00 1.00 0.00 0.00 62.75 58.11 1ti8 n ILE 56 Cb 0.67 -2.17 -0.07 0.00 -0.71 0.00 0.00 39.64 37.35 1ti8 n ILE 56 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1ti8 s GLU 57 N -1.71 2.29 -0.39 0.38 2.02 -1.26 -4.97 118.70 115.07 1ti8 s GLU 57 Ca 0.34 -1.62 -0.19 0.00 0.02 0.00 0.00 54.97 53.52 1ti8 s GLU 57 Cb 0.06 -2.10 0.01 0.00 0.10 0.00 0.00 34.13 32.20 1ti8 s GLU 57 CO 0.07 0.09 0.55 0.15 0.02 0.00 0.00 175.26 176.14 1ti8 s LYS 58 N -3.83 3.45 -1.32 1.61 1.02 -1.26 -4.98 119.74 114.44 1ti8 s LYS 58 Ca 0.37 -0.28 -0.17 0.00 0.02 0.00 0.00 55.97 55.91 1ti8 s LYS 58 Cb -0.01 -3.87 0.08 0.00 -0.52 0.00 0.00 37.83 33.50 1ti8 s LYS 58 CO 0.22 -0.79 1.80 2.41 -0.92 0.00 0.00 175.35 178.07 1ti8 n THR 59 N 5.57 3.90 0.00 2.17 -1.04 -1.26 -4.71 114.28 118.91 1ti8 n THR 59 Ca -0.04 -3.98 0.00 0.00 -2.04 0.00 0.00 64.05 57.99 1ti8 n THR 59 Cb 0.48 -2.40 0.00 0.00 -1.82 0.00 0.00 70.33 66.59 1ti8 n THR 59 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1ti8 n ASN 60 N 7.70 0.00 -4.60 8.00 2.85 -1.26 -4.50 115.26 123.45 1ti8 n ASN 60 Ca 0.48 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.53 1ti8 n ASN 60 Cb 0.44 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.41 1ti8 n ASN 60 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1ti8 s GLN 61 N -1.74 3.85 -0.19 1.20 -1.52 -1.26 -5.02 119.66 114.98 1ti8 s GLN 61 Ca 0.00 0.43 -0.09 0.00 -1.95 0.00 0.00 55.36 53.75 1ti8 s GLN 61 Cb 0.00 -3.77 -0.05 0.00 -0.22 0.00 0.00 33.01 28.97 1ti8 s GLN 61 CO 0.00 -0.77 0.12 -1.14 -0.25 0.00 0.00 175.29 173.26 1ti8 s GLN 62 N 3.02 4.11 -0.12 2.91 0.74 -1.26 -5.08 119.66 123.98 1ti8 s GLN 62 Ca 0.32 -0.23 0.00 0.00 0.05 0.00 0.00 55.36 55.50 1ti8 s GLN 62 Cb -0.14 -3.38 -0.02 0.00 1.10 0.00 0.00 33.01 30.58 1ti8 s GLN 62 CO 0.15 0.33 -0.12 -0.06 -0.55 0.00 0.00 175.29 175.03 1ti8 s PHE 63 N 0.27 2.82 0.58 1.67 0.40 -1.26 -5.10 117.98 117.35 1ti8 s PHE 63 Ca 0.08 -0.54 -0.08 0.00 -0.60 0.00 0.00 56.93 55.79 1ti8 s PHE 63 Cb -0.11 -1.82 -0.02 0.00 0.51 0.00 0.00 43.02 41.57 1ti8 s PHE 63 CO -0.01 -0.14 0.93 -1.21 0.70 0.00 0.00 175.22 175.49 1ti8 s GLU 64 N 0.19 3.34 0.23 0.44 0.41 -1.26 -5.04 118.70 117.01 1ti8 s GLU 64 Ca -0.07 0.37 -0.06 0.00 -0.41 0.00 0.00 54.97 54.80 1ti8 s GLU 64 Cb -0.15 -2.21 -0.06 0.00 -1.78 0.00 0.00 34.13 29.93 1ti8 s GLU 64 CO 0.05 -0.54 0.50 -0.48 -0.49 0.00 0.00 175.26 174.30 1ti8 s LEU 65 N -5.02 4.16 0.00 1.80 2.34 -1.26 -4.98 118.68 115.71 1ti8 s LEU 65 Ca 0.53 0.74 0.03 0.00 0.06 0.00 0.00 54.13 55.49 1ti8 s LEU 65 Cb -0.11 -3.51 -0.01 0.00 -0.56 0.00 0.00 46.19 42.00 1ti8 s LEU 65 CO 0.49 -0.09 0.30 2.30 -1.06 0.00 0.00 176.35 178.29 1ti8 n ILE 66 N -0.39 0.00 -1.97 1.48 -5.35 -1.26 -5.05 119.36 106.82 1ti8 n ILE 66 Ca -0.01 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.01 1ti8 n ILE 66 Cb 0.53 1.03 0.00 0.00 -1.74 0.00 0.00 39.64 39.45 1ti8 n ILE 66 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1ti8 n ASP 67 N -0.63 0.00 -3.56 7.28 8.00 -1.26 -5.04 116.55 121.34 1ti8 n ASP 67 Ca 0.01 -0.49 -0.04 0.00 0.71 0.00 0.00 54.79 54.99 1ti8 n ASP 67 Cb 0.06 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.10 1ti8 n ASP 67 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1ti8 s ASN 68 N -1.00 -0.76 0.21 -2.24 3.04 -1.26 -5.01 114.94 107.91 1ti8 s ASN 68 Ca 0.00 1.17 0.11 0.00 0.04 0.00 0.00 52.86 54.19 1ti8 s ASN 68 Cb 0.00 1.86 0.01 0.00 -1.54 0.00 0.00 41.25 41.58 1ti8 s ASN 68 CO 0.00 -0.24 1.40 -0.33 -3.04 0.00 0.00 177.10 174.90 1ti8 h GLU 69 N 8.07 0.00 -6.22 0.43 5.08 -2.00 -3.38 114.58 116.56 1ti8 h GLU 69 Ca -0.18 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.51 1ti8 h GLU 69 Cb 1.12 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.22 1ti8 h GLU 69 CO 0.14 0.74 -0.66 -0.06 -1.00 0.00 0.00 179.01 178.17 1ti8 s PHE 70 N -2.94 3.01 -0.17 4.33 2.99 -1.26 -4.81 117.98 119.13 1ti8 s PHE 70 Ca 0.02 0.03 -0.02 0.00 0.00 0.00 0.00 56.93 56.96 1ti8 s PHE 70 Cb 0.09 -1.63 0.01 0.00 0.00 0.00 0.00 43.02 41.49 1ti8 s PHE 70 CO 0.78 0.44 0.04 2.41 -0.00 0.00 0.00 175.22 178.89 1ti8 n THR 71 N 1.30 -8.18 -2.43 0.64 -1.04 -1.26 -4.91 114.28 98.40 1ti8 n THR 71 Ca -0.14 1.43 -0.38 0.00 -2.04 0.00 0.00 64.05 62.92 1ti8 n THR 71 Cb 0.53 -5.29 -0.03 0.00 -1.82 0.00 0.00 70.33 63.71 1ti8 n THR 71 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1ti8 s GLU 72 N -1.14 4.19 0.94 -2.82 2.12 -1.26 -4.65 118.70 116.09 1ti8 s GLU 72 Ca -0.05 1.69 -0.12 0.00 0.36 0.00 0.00 54.97 56.85 1ti8 s GLU 72 Cb 0.00 -2.70 0.16 0.00 0.26 0.00 0.00 34.13 31.85 1ti8 s GLU 72 CO 0.48 -0.16 1.13 0.14 -0.54 0.00 0.00 175.26 176.31 1ti8 s VAL 73 N -1.48 2.00 0.72 3.70 -7.23 -1.26 -4.97 120.40 111.88 1ti8 s VAL 73 Ca 0.55 0.00 -0.16 0.00 -1.81 0.00 0.00 61.98 60.56 1ti8 s VAL 73 Cb -0.27 -2.67 -0.03 0.00 0.56 0.00 0.00 36.38 33.96 1ti8 s VAL 73 CO 0.34 0.00 0.58 -0.62 -0.31 0.00 0.00 175.10 175.10 1ti8 n GLU 74 N -3.91 0.32 -0.08 4.82 -0.58 -1.26 -4.74 120.64 115.22 1ti8 n GLU 74 Ca 0.06 0.15 -0.12 0.00 -0.42 0.00 0.00 57.16 56.83 1ti8 n GLU 74 Cb 0.59 -1.87 -0.05 0.00 -0.57 0.00 0.00 31.44 29.53 1ti8 n GLU 74 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1ti8 h LYS 75 N -0.35 0.44 0.61 3.49 1.63 -1.98 -0.65 116.57 119.76 1ti8 h LYS 75 Ca -0.46 -0.18 -0.02 0.00 -0.85 0.00 0.00 60.65 59.14 1ti8 h LYS 75 Cb 1.35 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.95 1ti8 h LYS 75 CO 0.43 0.69 -0.39 0.37 -3.45 0.00 0.00 179.45 177.10 1ti8 h GLN 76 N 0.16 -0.91 -0.47 1.90 4.15 -2.01 -0.81 115.11 117.12 1ti8 h GLN 76 Ca 0.05 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.54 1ti8 h GLN 76 Cb 0.54 0.21 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 1ti8 h GLN 76 CO 0.03 -0.61 0.30 0.97 -1.93 0.00 0.00 178.83 177.59 1ti8 h ILE 77 N -0.95 1.12 0.10 2.39 6.09 -1.95 -2.57 117.51 121.75 1ti8 h ILE 77 Ca -0.07 -0.24 -0.00 0.00 -1.37 0.00 0.00 64.86 63.18 1ti8 h ILE 77 Cb 0.78 0.44 0.00 0.00 0.47 0.00 0.00 36.82 38.51 1ti8 h ILE 77 CO 0.06 0.12 -0.05 1.23 -3.07 0.00 0.00 178.15 176.44 1ti8 h GLY 78 N 0.65 -0.15 1.14 8.18 0.00 -0.61 -1.10 103.07 111.17 1ti8 h GLY 78 Ca 0.17 0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.52 1ti8 h GLY 78 CO -0.04 -0.06 0.29 3.43 0.00 0.00 0.00 176.54 180.17 1ti8 h ASN 79 N -0.14 1.01 -0.48 0.19 2.35 -0.91 -2.12 115.58 115.48 1ti8 h ASN 79 Ca -0.01 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 1ti8 h ASN 79 Cb 0.11 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1ti8 h ASN 79 CO 0.02 0.90 0.30 0.58 -1.65 0.00 0.00 177.43 177.58 1ti8 h VAL 80 N 1.07 1.14 -0.41 2.81 2.07 -1.27 0.27 116.25 121.93 1ti8 h VAL 80 Ca 0.25 -0.28 0.04 0.00 0.82 0.00 0.00 66.70 67.53 1ti8 h VAL 80 Cb 0.20 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1ti8 h VAL 80 CO -0.02 0.14 0.17 0.40 0.02 0.00 0.00 177.57 178.27 1ti8 h ILE 81 N 0.64 0.91 -0.01 4.57 2.04 -0.84 -1.00 117.51 123.83 1ti8 h ILE 81 Ca 0.17 -0.12 -0.20 0.00 1.00 0.00 0.00 64.86 65.71 1ti8 h ILE 81 Cb -0.04 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1ti8 h ILE 81 CO -0.04 0.06 -0.87 0.78 0.00 0.00 0.00 178.15 178.09 1ti8 h ASN 82 N 0.35 0.39 -0.76 1.72 4.21 -1.02 0.12 115.58 120.59 1ti8 h ASN 82 Ca 0.19 -0.30 0.07 0.00 1.21 0.00 0.00 56.30 57.46 1ti8 h ASN 82 Cb 0.14 -0.12 -0.06 0.00 -1.12 0.00 0.00 38.32 37.16 1ti8 h ASN 82 CO -0.17 1.09 0.44 -0.25 -1.29 0.00 0.00 177.43 177.25 1ti8 h TRP 83 N 0.18 0.82 0.36 1.19 7.01 -0.24 0.17 115.95 125.44 1ti8 h TRP 83 Ca -0.05 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.96 1ti8 h TRP 83 Cb 1.49 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 28.29 1ti8 h TRP 83 CO 0.04 0.39 -0.17 1.15 -2.79 0.00 0.00 178.44 177.06 1ti8 h THR 84 N 0.80 0.61 -0.76 2.65 2.02 -0.84 -2.12 112.91 115.27 1ti8 h THR 84 Ca 0.34 -0.50 0.13 0.00 0.77 0.00 0.00 66.41 67.16 1ti8 h THR 84 Cb 0.21 0.84 -0.09 0.00 -1.74 0.00 0.00 68.15 67.37 1ti8 h THR 84 CO -0.19 0.09 0.33 -0.09 0.37 0.00 0.00 175.52 176.03 1ti8 h ARG 85 N -0.79 0.48 -0.58 6.66 2.43 -0.21 -0.72 114.38 121.65 1ti8 h ARG 85 Ca -0.05 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.02 1ti8 h ARG 85 Cb 0.52 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1ti8 h ARG 85 CO 0.08 0.32 0.08 -0.44 -1.51 0.00 0.00 179.97 178.50 1ti8 h ASP 86 N 0.49 0.92 -0.79 -3.80 3.32 -0.66 0.21 116.42 116.11 1ti8 h ASP 86 Ca 0.41 -0.27 0.07 0.00 0.02 0.00 0.00 57.03 57.26 1ti8 h ASP 86 Cb 0.59 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.83 1ti8 h ASP 86 CO -0.37 0.96 0.47 0.28 -1.72 0.00 0.00 179.24 178.85 1ti8 h SER 87 N 0.86 0.72 -0.55 6.45 0.02 -0.61 0.85 113.55 121.28 1ti8 h SER 87 Ca 0.17 0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 61.07 1ti8 h SER 87 Cb 0.43 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 1ti8 h SER 87 CO 0.01 0.45 0.04 0.24 -1.14 0.00 0.00 176.83 176.43 1ti8 h MET 88 N 0.85 0.99 -0.53 3.45 2.86 -0.40 -1.36 114.93 120.79 1ti8 h MET 88 Ca 0.36 -0.28 -0.08 0.00 -2.06 0.00 0.00 59.70 57.64 1ti8 h MET 88 Cb 0.22 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 1ti8 h MET 88 CO -0.19 0.95 -0.00 1.15 1.06 0.00 0.00 176.91 179.87 1ti8 h THR 89 N 0.92 1.25 -0.59 2.22 2.02 0.20 -1.33 112.91 117.60 1ti8 h THR 89 Ca 0.17 -1.07 -0.03 0.00 0.77 0.00 0.00 66.41 66.25 1ti8 h THR 89 Cb 0.48 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 1ti8 h THR 89 CO 0.02 0.38 0.24 -0.08 0.37 0.00 0.00 175.52 176.45 1ti8 h GLU 90 N 0.83 0.88 0.87 6.66 4.81 0.11 -1.99 114.58 126.74 1ti8 h GLU 90 Ca 0.16 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1ti8 h GLU 90 Cb 0.50 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.74 1ti8 h GLU 90 CO 0.02 0.75 -0.42 0.28 -0.73 0.00 0.00 179.01 178.91 1ti8 h VAL 91 N 0.81 0.00 -0.74 0.32 2.07 -0.90 -2.05 116.25 115.77 1ti8 h VAL 91 Ca 0.20 -0.06 0.10 0.00 0.82 0.00 0.00 66.70 67.76 1ti8 h VAL 91 Cb 0.19 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.91 1ti8 h VAL 91 CO -0.02 0.00 0.49 -0.50 0.02 0.00 0.00 177.57 177.56 1ti8 h TRP 92 N -1.23 0.66 -0.37 1.57 4.06 -1.28 0.19 115.95 119.56 1ti8 h TRP 92 Ca -0.12 0.02 -0.04 0.00 2.06 0.00 0.00 58.89 60.81 1ti8 h TRP 92 Cb 0.90 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.83 1ti8 h TRP 92 CO 0.02 0.31 0.08 0.77 -3.56 0.00 0.00 178.44 176.05 1ti8 h SER 93 N 0.61 0.57 0.32 -3.49 0.02 -1.34 0.47 113.55 110.71 1ti8 h SER 93 Ca 0.34 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1ti8 h SER 93 Cb 0.51 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1ti8 h SER 93 CO -0.12 0.66 -0.15 0.22 -1.14 0.00 0.00 176.83 176.30 1ti8 h TYR 94 N 0.44 -0.40 0.04 3.45 3.20 -0.32 -1.39 116.97 121.99 1ti8 h TYR 94 Ca 0.11 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.00 1ti8 h TYR 94 Cb 0.33 0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.68 1ti8 h TYR 94 CO 0.02 -0.23 -0.32 -0.91 -1.64 0.00 0.00 178.16 175.08 1ti8 h ASN 95 N -0.46 -0.96 -1.03 -2.11 2.35 -0.50 -0.89 115.58 111.97 1ti8 h ASN 95 Ca -0.04 0.12 0.26 0.00 -0.55 0.00 0.00 56.30 56.09 1ti8 h ASN 95 Cb 0.35 0.38 -0.11 0.00 0.05 0.00 0.00 38.32 38.99 1ti8 h ASN 95 CO 0.07 -0.39 0.63 0.00 -1.65 0.00 0.00 177.43 176.09 1ti8 h ALA 96 N 0.20 1.98 0.02 -0.83 0.00 0.12 0.63 119.26 121.38 1ti8 h ALA 96 Ca 0.05 0.10 -0.23 0.00 0.00 0.00 0.00 54.91 54.83 1ti8 h ALA 96 Cb 0.57 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1ti8 h ALA 96 CO -0.24 -0.44 -1.14 1.49 0.00 0.00 0.00 179.25 178.91 1ti8 h GLU 97 N 0.49 0.05 -0.13 0.00 4.81 -0.50 -3.10 114.58 116.20 1ti8 h GLU 97 Ca 0.64 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.69 1ti8 h GLU 97 Cb 1.38 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.79 1ti8 h GLU 97 CO -0.41 0.98 -0.28 1.25 -0.73 0.00 0.00 179.01 179.81 1ti8 h LEU 98 N 0.01 0.47 0.27 1.64 5.85 0.38 -1.54 115.31 122.39 1ti8 h LEU 98 Ca -0.07 -0.57 0.01 0.00 0.84 0.00 0.00 57.88 58.09 1ti8 h LEU 98 Cb 1.84 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.70 1ti8 h LEU 98 CO 0.14 0.95 -0.45 0.25 -0.34 0.00 0.00 178.44 178.98 1ti8 h LEU 99 N 0.00 -1.29 -0.44 2.25 5.85 -1.09 0.99 115.31 121.58 1ti8 h LEU 99 Ca 0.00 0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.87 1ti8 h LEU 99 Cb 0.88 0.46 -0.03 0.00 0.37 0.00 0.00 40.66 42.34 1ti8 h LEU 99 CO 0.06 -0.55 0.26 0.58 -0.34 0.00 0.00 178.44 178.45 1ti8 h VAL 100 N -0.79 1.04 -0.67 1.05 2.07 -1.61 1.00 116.25 118.35 1ti8 h VAL 100 Ca -0.01 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 1ti8 h VAL 100 Cb 0.75 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1ti8 h VAL 100 CO -0.17 0.10 0.19 0.00 0.02 0.00 0.00 177.57 177.71 1ti8 h ALA 101 N 1.19 0.88 0.14 1.67 0.00 -0.96 -0.97 119.26 121.22 1ti8 h ALA 101 Ca 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ti8 h ALA 101 Cb 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1ti8 h ALA 101 CO -0.08 0.57 -0.07 1.98 0.00 0.00 0.00 179.25 181.66 1ti8 h MET 102 N 0.99 -0.18 -0.41 0.00 1.85 0.15 -2.86 114.93 114.47 1ti8 h MET 102 Ca 0.21 0.01 0.06 0.00 -0.61 0.00 0.00 59.70 59.38 1ti8 h MET 102 Cb 0.32 0.04 -0.09 0.00 0.43 0.00 0.00 31.60 32.31 1ti8 h MET 102 CO -0.00 0.26 -0.47 0.93 -0.40 0.00 0.00 176.91 177.23 1ti8 h GLU 103 N -0.73 -0.34 -0.44 0.39 4.39 0.11 -1.81 114.58 116.15 1ti8 h GLU 103 Ca -0.02 0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.79 1ti8 h GLU 103 Cb 0.53 0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 29.16 1ti8 h GLU 103 CO 0.03 -0.22 -0.31 -0.91 -1.16 0.00 0.00 179.01 176.43 1ti8 h ASN 104 N -0.35 -1.06 -0.71 1.42 2.35 -1.24 0.83 115.58 116.83 1ti8 h ASN 104 Ca 0.12 0.19 0.07 0.00 -0.55 0.00 0.00 56.30 56.13 1ti8 h ASN 104 Cb 0.59 0.51 -0.10 0.00 0.05 0.00 0.00 38.32 39.37 1ti8 h ASN 104 CO -0.58 -0.31 -0.52 -0.61 -1.65 0.00 0.00 177.43 173.75 1ti8 h GLN 105 N -0.22 -0.13 -0.34 0.81 5.75 -1.10 0.94 115.11 120.82 1ti8 h GLN 105 Ca 0.19 0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.77 1ti8 h GLN 105 Cb 0.53 0.03 -0.08 0.00 1.07 0.00 0.00 27.48 29.04 1ti8 h GLN 105 CO -0.56 -0.09 -0.16 1.25 -2.65 0.00 0.00 178.83 176.62 1ti8 h HIS 106 N -0.13 -0.40 -0.25 3.99 2.76 -0.84 -2.13 115.15 118.14 1ti8 h HIS 106 Ca 0.12 0.04 0.03 0.00 -2.20 0.00 0.00 60.37 58.35 1ti8 h HIS 106 Cb 0.43 0.23 -0.05 0.00 1.55 0.00 0.00 27.41 29.57 1ti8 h HIS 106 CO -0.91 -0.24 -0.35 1.15 -1.30 0.00 0.00 177.93 176.28 1ti8 h THR 107 N -0.11 0.00 -0.37 6.26 2.02 0.15 0.53 112.91 121.39 1ti8 h THR 107 Ca 0.17 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.42 1ti8 h THR 107 Cb 0.37 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.70 1ti8 h THR 107 CO -0.41 0.00 -0.39 0.40 0.37 0.00 0.00 175.52 175.49 1ti8 h ILE 108 N -0.26 0.16 -0.87 3.11 2.04 -0.90 0.32 117.51 121.11 1ti8 h ILE 108 Ca 0.04 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.06 1ti8 h ILE 108 Cb 0.38 0.16 -0.07 0.00 -0.74 0.00 0.00 36.82 36.55 1ti8 h ILE 108 CO -0.37 0.00 0.57 0.44 0.00 0.00 0.00 178.15 178.79 1ti8 h ASP 109 N -0.32 0.57 -0.66 1.72 5.19 -0.68 0.10 116.42 122.34 1ti8 h ASP 109 Ca 0.14 0.04 0.11 0.00 -0.62 0.00 0.00 57.03 56.70 1ti8 h ASP 109 Cb 0.57 -0.07 -0.04 0.00 0.18 0.00 0.00 39.33 39.97 1ti8 h ASP 109 CO -0.54 0.27 0.44 0.25 -3.12 0.00 0.00 179.24 176.55 1ti8 h LEU 110 N 0.60 0.40 0.04 1.55 5.85 0.40 -2.41 115.31 121.74 1ti8 h LEU 110 Ca 0.44 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.17 1ti8 h LEU 110 Cb 0.83 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.79 1ti8 h LEU 110 CO -0.19 0.23 -0.02 0.71 -0.34 0.00 0.00 178.44 178.83 1ti8 h THR 111 N 0.44 1.34 -0.88 1.05 1.35 -0.70 -2.78 112.91 112.72 1ti8 h THR 111 Ca 0.31 -1.58 0.08 0.00 -0.55 0.00 0.00 66.41 64.67 1ti8 h THR 111 Cb 0.62 2.33 -0.11 0.00 -1.73 0.00 0.00 68.15 69.27 1ti8 h THR 111 CO -0.09 0.38 -0.50 0.47 -0.25 0.00 0.00 175.52 175.52 1ti8 n ASP 112 N -4.78 -0.90 -0.13 5.36 9.92 -0.97 0.18 116.55 125.22 1ti8 n ASP 112 Ca -0.08 1.57 -0.06 0.00 -0.53 0.00 0.00 54.79 55.68 1ti8 n ASP 112 Cb 0.33 -0.22 -0.05 0.00 -0.64 0.00 0.00 41.12 40.54 1ti8 n ASP 112 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 1ti8 h SER 113 N 0.00 -0.98 -0.55 -2.24 0.87 -1.48 1.02 113.55 110.19 1ti8 h SER 113 Ca 0.16 0.14 0.11 0.00 -1.23 0.00 0.00 61.79 60.96 1ti8 h SER 113 Cb 0.38 0.42 -0.09 0.00 -0.44 0.00 0.00 62.40 62.66 1ti8 h SER 113 CO -0.83 -0.16 0.03 -0.33 -0.53 0.00 0.00 176.83 175.01 1ti8 h GLU 114 N -0.10 0.15 0.10 2.24 4.39 -0.48 1.76 114.58 122.63 1ti8 h GLU 114 Ca 0.05 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.76 1ti8 h GLU 114 Cb 0.25 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1ti8 h GLU 114 CO -0.37 0.10 -0.17 1.98 -1.16 0.00 0.00 179.01 179.38 1ti8 h MET 115 N 0.15 -0.33 -0.56 2.33 4.05 0.12 -0.96 114.93 119.73 1ti8 h MET 115 Ca 0.28 0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.75 1ti8 h MET 115 Cb 0.44 0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.28 1ti8 h MET 115 CO -0.44 -0.22 0.37 -0.97 0.23 0.00 0.00 176.91 175.88 1ti8 h ASN 116 N -0.34 0.60 -0.39 1.39 -1.24 0.26 -1.72 115.58 114.14 1ti8 h ASN 116 Ca 0.02 -0.01 0.04 0.00 0.71 0.00 0.00 56.30 57.07 1ti8 h ASN 116 Cb 0.36 -0.14 -0.04 0.00 0.73 0.00 0.00 38.32 39.22 1ti8 h ASN 116 CO -0.10 0.42 0.15 0.11 -1.29 0.00 0.00 177.43 176.72 1ti8 h LYS 117 N 0.70 0.30 0.86 6.67 1.57 0.38 -1.89 116.57 125.16 1ti8 h LYS 117 Ca 0.21 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 1ti8 h LYS 117 Cb 0.00 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.26 1ti8 h LYS 117 CO -0.05 0.20 -0.41 1.25 -0.57 0.00 0.00 179.45 179.86 1ti8 h LEU 118 N 0.31 -0.97 -0.78 2.94 5.85 -0.38 -2.31 115.31 119.97 1ti8 h LEU 118 Ca 0.18 0.03 0.14 0.00 0.84 0.00 0.00 57.88 59.07 1ti8 h LEU 118 Cb 0.14 0.25 -0.14 0.00 0.37 0.00 0.00 40.66 41.28 1ti8 h LEU 118 CO -0.17 -0.68 -0.28 0.22 -0.34 0.00 0.00 178.44 177.18 1ti8 h TYR 119 N -1.18 -0.72 0.00 1.25 3.20 -1.23 0.78 116.97 119.07 1ti8 h TYR 119 Ca -0.12 0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 1ti8 h TYR 119 Cb 0.89 0.44 -0.00 0.00 1.54 0.00 0.00 36.73 39.59 1ti8 h TYR 119 CO -0.01 -0.37 -0.06 0.93 -1.64 0.00 0.00 178.16 177.01 1ti8 h GLU 120 N -0.05 0.00 0.40 1.82 4.39 -1.27 -0.36 114.58 119.50 1ti8 h GLU 120 Ca 0.33 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.01 1ti8 h GLU 120 Cb 0.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1ti8 h GLU 120 CO -0.82 0.06 -0.19 -0.09 -1.16 0.00 0.00 179.01 176.81 1ti8 h ARG 121 N 0.00 -0.52 -0.60 2.33 2.43 0.11 -2.83 114.38 115.31 1ti8 h ARG 121 Ca -0.00 0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.30 1ti8 h ARG 121 Cb 0.18 0.12 -0.08 0.00 -0.42 0.00 0.00 29.97 29.77 1ti8 h ARG 121 CO 0.01 -0.23 0.19 0.28 -1.51 0.00 0.00 179.97 178.71 1ti8 h VAL 122 N -1.02 0.72 0.00 0.20 2.07 -0.59 -0.65 116.25 116.98 1ti8 h VAL 122 Ca -0.05 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1ti8 h VAL 122 Cb 0.53 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1ti8 h VAL 122 CO 0.09 0.06 0.00 1.17 0.02 0.00 0.00 177.57 178.91 1ti8 n LYS 123 N -5.05 0.00 -0.54 1.57 4.81 -0.20 -1.48 118.16 117.28 1ti8 n LYS 123 Ca 0.09 0.27 0.44 0.00 -0.87 0.00 0.00 58.31 58.23 1ti8 n LYS 123 Cb 0.29 -1.15 0.72 0.00 0.02 0.00 0.00 35.03 34.92 1ti8 n LYS 123 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ti8 h ARG 124 N 0.00 0.03 0.76 1.64 3.08 -1.47 0.22 114.38 118.64 1ti8 h ARG 124 Ca 0.00 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1ti8 h ARG 124 Cb 0.00 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.05 1ti8 h ARG 124 CO 0.00 0.02 -0.37 1.96 -1.07 0.00 0.00 179.97 180.51 1ti8 h GLN 125 N 0.03 -0.98 0.00 0.04 4.20 -0.77 -2.83 115.11 114.79 1ti8 h GLN 125 Ca 0.87 0.07 0.00 0.00 0.06 0.00 0.00 58.65 59.65 1ti8 h GLN 125 Cb 3.05 0.22 0.00 0.00 0.30 0.00 0.00 27.48 31.06 1ti8 h GLN 125 CO -0.28 -0.64 0.00 1.28 -0.67 0.00 0.00 178.83 178.52 1ti8 n LEU 126 N -5.50 0.00 0.00 1.46 4.77 0.75 -4.67 117.00 113.81 1ti8 n LEU 126 Ca -0.14 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1ti8 n LEU 126 Cb 0.42 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1ti8 n LEU 126 CO 0.36 -0.48 0.00 0.54 -1.33 0.00 0.00 177.39 176.48 1ti8 n ARG 127 N -1.49 0.00 -1.19 3.23 5.12 -1.04 -1.45 116.66 119.84 1ti8 n ARG 127 Ca 0.00 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.72 1ti8 n ARG 127 Cb 0.01 0.00 0.15 0.00 -1.16 0.00 0.00 32.46 31.46 1ti8 n ARG 127 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1ti8 n GLU 128 N 14.00 2.32 -0.00 5.56 0.00 -1.26 -4.44 120.64 136.82 1ti8 n GLU 128 Ca 0.00 -3.21 0.09 0.00 0.00 0.00 0.00 57.16 54.04 1ti8 n GLU 128 Cb 0.00 -2.10 -0.12 0.00 0.00 0.00 0.00 31.44 29.22 1ti8 n GLU 128 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1ti8 n ASN 129 N -1.06 0.83 -4.22 -1.84 4.13 -0.53 -4.99 115.26 107.58 1ti8 n ASN 129 Ca 0.52 -0.80 -0.13 0.00 1.68 0.00 0.00 54.58 55.85 1ti8 n ASN 129 Cb 1.23 1.16 -0.10 0.00 -1.54 0.00 0.00 39.78 40.53 1ti8 n ASN 129 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ti8 s ALA 130 N -2.96 1.24 0.24 5.41 0.00 -1.26 -1.92 121.76 122.51 1ti8 s ALA 130 Ca 0.05 -1.68 0.12 0.00 0.00 0.00 0.00 51.96 50.44 1ti8 s ALA 130 Cb 0.15 1.14 -0.05 0.00 0.00 0.00 0.00 23.12 24.36 1ti8 s ALA 130 CO 0.82 -0.52 -0.21 -2.00 0.00 0.00 0.00 175.76 173.85 1ti8 s GLU 131 N -4.09 1.63 -0.50 0.00 2.56 -1.14 -4.98 118.70 112.17 1ti8 s GLU 131 Ca 0.35 -1.64 -0.13 0.00 0.00 0.00 0.00 54.97 53.54 1ti8 s GLU 131 Cb 0.07 -1.82 0.12 0.00 2.00 0.00 0.00 34.13 34.50 1ti8 s GLU 131 CO 0.10 0.36 0.43 -2.00 -0.56 0.00 0.00 175.26 173.59 1ti8 s GLU 132 N -3.11 2.80 0.01 4.30 2.12 -1.26 -3.37 118.70 120.19 1ti8 s GLU 132 Ca 0.26 -1.67 -0.27 0.00 0.36 0.00 0.00 54.97 53.65 1ti8 s GLU 132 Cb -0.06 -4.13 -0.15 0.00 0.26 0.00 0.00 34.13 30.04 1ti8 s GLU 132 CO 0.13 -1.23 1.11 0.38 -0.54 0.00 0.00 175.26 175.10 1ti8 h ASP 133 N 8.71 -0.79 0.00 -1.70 2.03 -1.98 -3.49 116.42 119.20 1ti8 h ASP 133 Ca -0.27 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.05 1ti8 h ASP 133 Cb 1.09 0.20 0.00 0.00 -0.83 0.00 0.00 39.33 39.80 1ti8 h ASP 133 CO 0.95 -0.41 0.00 0.61 -1.03 0.00 0.00 179.24 179.36 1ti8 n GLY 134 N -0.63 0.75 0.45 7.15 0.00 -1.26 -4.96 105.19 106.69 1ti8 n GLY 134 Ca -0.12 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.04 1ti8 n GLY 134 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ti8 n THR 135 N 0.00 0.00 0.00 2.61 -2.24 -1.26 -4.69 114.28 108.70 1ti8 n THR 135 Ca 0.00 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1ti8 n THR 135 Cb 0.00 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 1ti8 n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ti8 n GLY 136 N 1.23 0.90 3.91 3.38 0.00 -1.25 -4.54 105.19 108.82 1ti8 n GLY 136 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1ti8 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ti8 s PHE 138 N -1.53 3.50 -0.59 0.00 0.40 -1.26 -3.60 117.98 114.90 1ti8 s PHE 138 Ca 0.34 -2.51 -0.28 0.00 -0.60 0.00 0.00 56.93 53.89 1ti8 s PHE 138 Cb -0.13 -2.54 0.02 0.00 0.51 0.00 0.00 43.02 40.89 1ti8 s PHE 138 CO 0.27 -0.91 1.30 -1.21 0.70 0.00 0.00 175.22 175.38 1ti8 s GLU 139 N 1.06 3.38 -0.09 0.44 2.02 -1.22 -4.91 118.70 119.39 1ti8 s GLU 139 Ca 0.02 0.29 -0.30 0.00 0.02 0.00 0.00 54.97 55.00 1ti8 s GLU 139 Cb -0.20 -4.08 -0.02 0.00 0.10 0.00 0.00 34.13 29.93 1ti8 s GLU 139 CO -0.05 -1.85 1.11 0.42 0.02 0.00 0.00 175.26 174.91 1ti8 s ILE 140 N 5.54 4.50 -1.42 -1.63 1.01 -1.26 -2.89 121.20 125.06 1ti8 s ILE 140 Ca 0.46 1.80 -0.09 0.00 0.00 0.00 0.00 60.65 62.82 1ti8 s ILE 140 Cb -0.09 -4.16 -0.07 0.00 0.01 0.00 0.00 42.46 38.15 1ti8 s ILE 140 CO 0.24 -0.02 2.94 0.49 0.00 0.00 0.00 174.94 178.59 1ti8 n PHE 141 N 5.27 2.22 0.00 3.97 3.01 -0.81 -4.74 117.46 126.38 1ti8 n PHE 141 Ca 0.10 -2.89 0.00 0.00 1.01 0.00 0.00 57.45 55.67 1ti8 n PHE 141 Cb 0.47 -2.30 0.00 0.00 -0.01 0.00 0.00 39.48 37.64 1ti8 n PHE 141 CO 0.00 0.00 0.00 -2.39 1.01 0.00 0.00 176.76 175.38 1ti8 n HIS 142 N 3.15 0.00 -1.44 1.38 1.44 -1.26 -4.09 115.22 114.40 1ti8 n HIS 142 Ca 0.73 0.00 -0.46 0.00 -2.01 0.00 0.00 57.72 55.97 1ti8 n HIS 142 Cb 0.30 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.31 1ti8 n HIS 142 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1ti8 n LYS 143 N -0.47 0.45 -3.54 -1.40 5.02 -1.26 -4.84 118.16 112.12 1ti8 n LYS 143 Ca 0.00 0.07 -0.41 0.00 -2.02 0.00 0.00 58.31 55.95 1ti8 n LYS 143 Cb 0.00 -2.08 -0.06 0.00 -0.02 0.00 0.00 35.03 32.87 1ti8 n LYS 143 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ti8 s ASP 145 N 1.19 1.58 0.27 0.00 -4.77 -1.26 -4.05 116.67 109.63 1ti8 s ASP 145 Ca 0.19 1.19 -0.03 0.00 -3.30 0.00 0.00 52.55 50.60 1ti8 s ASP 145 Cb -0.15 -1.85 0.57 0.00 -1.09 0.00 0.00 42.92 40.41 1ti8 s ASP 145 CO -0.07 -3.78 1.61 0.44 0.70 0.00 0.00 175.17 174.07 1ti8 h ASP 146 N -2.34 -0.39 0.01 2.11 5.19 -1.97 1.40 116.42 120.44 1ti8 h ASP 146 Ca -0.56 0.23 -0.04 0.00 -0.62 0.00 0.00 57.03 56.04 1ti8 h ASP 146 Cb 1.33 0.40 -0.01 0.00 0.18 0.00 0.00 39.33 41.23 1ti8 h ASP 146 CO 0.52 -0.24 -0.08 0.44 -3.12 0.00 0.00 179.24 176.75 1ti8 h ASP 147 N 0.08 0.17 0.10 6.45 3.32 -1.98 -1.76 116.42 122.79 1ti8 h ASP 147 Ca 0.50 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.51 1ti8 h ASP 147 Cb 0.94 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.44 1ti8 h ASP 147 CO -0.77 0.28 -0.05 0.00 -1.72 0.00 0.00 179.24 176.98 1ti8 h MET 149 N -0.97 -0.13 -0.78 0.00 2.86 0.20 0.54 114.93 116.64 1ti8 h MET 149 Ca -0.01 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1ti8 h MET 149 Cb 0.43 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 1ti8 h MET 149 CO 0.02 -0.09 0.46 0.00 1.06 0.00 0.00 176.91 178.36 1ti8 h ALA 150 N 1.14 1.33 -1.06 6.32 0.00 -1.43 -1.23 119.26 124.33 1ti8 h ALA 150 Ca 0.24 -0.10 0.30 0.00 0.00 0.00 0.00 54.91 55.35 1ti8 h ALA 150 Cb 0.52 -0.32 -0.12 0.00 0.00 0.00 0.00 17.79 17.87 1ti8 h ALA 150 CO -0.62 0.57 0.65 1.03 0.00 0.00 0.00 179.25 180.87 1ti8 h SER 151 N 1.08 0.50 -0.12 0.00 0.87 0.18 0.27 113.55 116.34 1ti8 h SER 151 Ca 0.28 0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.92 1ti8 h SER 151 Cb -0.02 0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1ti8 h SER 151 CO -0.05 -0.00 -0.14 0.40 -0.53 0.00 0.00 176.83 176.51 1ti8 h ILE 152 N 0.39 1.36 0.00 2.23 2.04 -0.49 -1.70 117.51 121.34 1ti8 h ILE 152 Ca 0.68 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 65.21 1ti8 h ILE 152 Cb 1.62 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 39.67 1ti8 h ILE 152 CO -0.44 0.38 0.00 0.54 0.00 0.00 0.00 178.15 178.63 1ti8 n ARG 153 N -4.59 0.00 0.00 2.37 1.74 0.91 -1.35 116.66 115.74 1ti8 n ARG 153 Ca -0.07 0.73 0.00 0.00 -0.77 0.00 0.00 57.85 57.75 1ti8 n ARG 153 Cb 0.36 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 1ti8 n ARG 153 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1ti8 n ASN 154 N -2.37 0.18 -3.40 0.55 6.94 -0.90 -4.82 115.26 111.44 1ti8 n ASN 154 Ca 0.00 -0.43 -0.33 0.00 -0.02 0.00 0.00 54.58 53.80 1ti8 n ASN 154 Cb 0.00 -0.09 0.03 0.00 -2.36 0.00 0.00 39.78 37.36 1ti8 n ASN 154 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1ti8 n ASN 155 N 0.23 -5.92 0.00 0.53 2.85 -0.46 -4.91 115.26 107.58 1ti8 n ASN 155 Ca 0.00 -0.07 0.00 0.00 -0.11 0.00 0.00 54.58 54.40 1ti8 n ASN 155 Cb 0.04 -2.34 0.00 0.00 1.24 0.00 0.00 39.78 38.73 1ti8 n ASN 155 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1ti8 n THR 156 N -0.33 0.00 -1.64 -0.44 -2.24 -0.70 -5.05 114.28 103.88 1ti8 n THR 156 Ca -0.06 0.00 -0.48 0.00 -2.27 0.00 0.00 64.05 61.24 1ti8 n THR 156 Cb 0.65 0.47 -0.05 0.00 -2.10 0.00 0.00 70.33 69.30 1ti8 n THR 156 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ti8 n TYR 157 N 0.00 2.21 -3.30 4.78 9.36 -0.81 -4.90 117.16 124.50 1ti8 n TYR 157 Ca 0.00 -0.01 -0.41 0.00 3.32 0.00 0.00 57.90 60.79 1ti8 n TYR 157 Cb 0.00 -2.67 -0.02 0.00 -0.63 0.00 0.00 39.34 36.03 1ti8 n TYR 157 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1ti8 n ASP 158 N 7.72 5.42 -0.10 2.98 2.03 -1.26 -4.94 116.55 128.39 1ti8 n ASP 158 Ca 0.26 -3.20 0.02 0.00 0.52 0.00 0.00 54.79 52.38 1ti8 n ASP 158 Cb 0.31 -1.23 0.04 0.00 -0.72 0.00 0.00 41.12 39.52 1ti8 n ASP 158 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ti8 n HIS 159 N 2.05 0.09 -0.32 -0.67 1.44 -1.26 -0.76 115.22 115.80 1ti8 n HIS 159 Ca 0.25 0.35 -0.07 0.00 -2.01 0.00 0.00 57.72 56.23 1ti8 n HIS 159 Cb 0.37 -0.66 -0.04 0.00 0.12 0.00 0.00 29.99 29.78 1ti8 n HIS 159 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1ti8 h SER 160 N 0.00 -1.69 -1.45 4.39 4.64 -1.95 0.88 113.55 118.37 1ti8 h SER 160 Ca 0.13 0.29 0.43 0.00 -0.47 0.00 0.00 61.79 62.17 1ti8 h SER 160 Cb 0.21 0.79 -0.08 0.00 -0.31 0.00 0.00 62.40 63.01 1ti8 h SER 160 CO -0.29 -0.29 1.02 0.03 -0.87 0.00 0.00 176.83 176.42 1ti8 h ARG 161 N -0.10 0.05 -0.04 4.77 3.08 -1.39 0.54 114.38 121.29 1ti8 h ARG 161 Ca 0.22 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1ti8 h ARG 161 Cb 0.53 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1ti8 h ARG 161 CO -0.84 0.03 0.00 0.66 -1.07 0.00 0.00 179.97 178.75 1ti8 n TYR 162 N -4.24 0.07 0.03 3.04 4.01 0.11 -4.82 117.16 115.35 1ti8 n TYR 162 Ca 0.34 -0.56 -0.06 0.00 -0.16 0.00 0.00 57.90 57.46 1ti8 n TYR 162 Cb 1.49 -0.06 -0.03 0.00 -0.31 0.00 0.00 39.34 40.43 1ti8 n TYR 162 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1ti8 h ARG 163 N 0.26 -0.23 -0.35 -0.72 9.65 0.60 -2.71 114.38 120.87 1ti8 h ARG 163 Ca 0.00 0.02 0.03 0.00 -1.10 0.00 0.00 59.98 58.93 1ti8 h ARG 163 Cb 0.59 0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.19 1ti8 h ARG 163 CO 0.00 -0.16 0.15 1.49 2.80 0.00 0.00 179.97 184.25 1ti8 h GLU 164 N -0.24 0.30 -2.05 0.20 4.81 -1.87 -1.71 114.58 114.02 1ti8 h GLU 164 Ca 0.00 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1ti8 h GLU 164 Cb 0.26 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 1ti8 h GLU 164 CO -0.12 0.20 0.01 -1.91 -0.73 0.00 0.00 179.01 176.46 1ti8 n GLU 165 N -4.98 0.45 0.00 1.92 2.13 -1.04 -5.18 120.64 113.94 1ti8 n GLU 165 Ca 0.01 -0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.79 1ti8 n GLU 165 Cb 0.11 -1.32 0.00 0.00 0.27 0.00 0.00 31.44 30.49 1ti8 n GLU 165 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72