#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hua s ASN 2 N 0.00 0.33 0.38 7.83 2.20 -1.26 -5.03 114.94 119.39 3hua s ASN 2 Ca 0.00 -1.20 0.07 0.00 -0.94 0.00 0.00 52.86 50.79 3hua s ASN 2 Cb 0.00 0.71 0.78 0.00 -2.00 0.00 0.00 41.25 40.75 3hua s ASN 2 CO 0.00 -1.39 1.99 -0.29 -2.94 0.00 0.00 177.10 174.47 3hua h ILE 3 N 2.10 1.05 -0.18 0.54 6.09 -1.97 -0.71 117.51 124.42 3hua h ILE 3 Ca -0.28 -0.24 -0.04 0.00 -1.37 0.00 0.00 64.86 62.93 3hua h ILE 3 Cb 1.25 0.30 -0.01 0.00 0.47 0.00 0.00 36.82 38.83 3hua h ILE 3 CO 0.37 0.13 -0.05 -0.26 -3.07 0.00 0.00 178.15 175.27 3hua h PHE 4 N 0.69 0.40 -0.84 2.19 -1.00 -1.99 -1.31 116.94 115.08 3hua h PHE 4 Ca 0.26 -0.09 -0.04 0.00 2.81 0.00 0.00 57.97 60.92 3hua h PHE 4 Cb 0.17 -0.10 -0.04 0.00 3.61 0.00 0.00 35.95 39.60 3hua h PHE 4 CO -0.00 0.63 0.39 0.93 -1.61 0.00 0.00 178.31 178.64 3hua h GLU 5 N 0.06 1.22 0.20 1.51 5.08 -1.87 -0.05 114.58 120.73 3hua h GLU 5 Ca 0.04 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 3hua h GLU 5 Cb 0.50 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3hua h GLU 5 CO 0.02 0.95 -0.10 1.98 -1.00 0.00 0.00 179.01 180.86 3hua h MET 6 N 1.20 -0.26 -0.13 2.33 4.05 -1.08 -2.23 114.93 118.82 3hua h MET 6 Ca 0.29 0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.65 3hua h MET 6 Cb 0.14 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 3hua h MET 6 CO -0.03 0.01 -0.27 -0.07 0.23 0.00 0.00 176.91 176.78 3hua h LEU 7 N -0.50 0.23 -0.91 3.39 3.38 -1.20 -1.85 115.31 117.84 3hua h LEU 7 Ca -0.03 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.89 3hua h LEU 7 Cb 0.38 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 3hua h LEU 7 CO 0.04 0.50 0.60 -0.09 0.09 0.00 0.00 178.44 179.59 3hua h ARG 8 N 0.21 1.19 -0.15 1.13 9.65 -0.90 0.14 114.38 125.65 3hua h ARG 8 Ca 0.03 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 3hua h ARG 8 Cb 0.59 -0.27 -0.01 0.00 -1.39 0.00 0.00 29.97 28.90 3hua h ARG 8 CO 0.04 0.79 0.05 0.82 2.80 0.00 0.00 179.97 184.47 3hua h ILE 9 N 1.23 1.16 -0.00 1.20 2.04 -1.04 -1.48 117.51 120.62 3hua h ILE 9 Ca 0.34 -0.50 -0.13 0.00 1.00 0.00 0.00 64.86 65.56 3hua h ILE 9 Cb -0.12 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 3hua h ILE 9 CO -0.08 0.15 -0.63 0.44 0.00 0.00 0.00 178.15 178.03 3hua h ASP 10 N 0.07 0.02 0.00 1.72 3.32 -0.96 -3.31 116.42 117.28 3hua h ASP 10 Ca 0.05 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 3hua h ASP 10 Cb 0.19 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3hua h ASP 10 CO -0.00 0.64 -2.01 -0.62 -1.72 0.00 0.00 179.24 175.53 3hua n GLU 11 N -3.79 0.67 -0.19 3.56 -0.58 0.46 -5.08 120.64 115.68 3hua n GLU 11 Ca -0.01 -0.16 0.03 0.00 -0.42 0.00 0.00 57.16 56.60 3hua n GLU 11 Cb 0.63 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 30.00 3hua n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hua n GLY 12 N 1.41 -1.92 2.73 0.62 0.00 -0.56 -4.30 105.19 103.17 3hua n GLY 12 Ca -0.09 -1.35 -0.20 0.00 0.00 0.00 0.00 46.02 44.38 3hua n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hua s LEU 13 N 0.00 0.07 -0.03 0.99 2.96 -1.26 -4.22 118.68 117.19 3hua s LEU 13 Ca 0.00 0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 3hua s LEU 13 Cb 0.00 0.05 0.01 0.00 0.50 0.00 0.00 46.19 46.75 3hua s LEU 13 CO 0.00 -0.28 -0.07 -0.13 -1.32 0.00 0.00 176.35 174.56 3hua s ARG 14 N 2.23 0.90 0.00 1.98 0.52 -0.64 -5.01 118.95 118.93 3hua s ARG 14 Ca 0.04 -0.21 0.24 0.00 -0.52 0.00 0.00 55.73 55.28 3hua s ARG 14 Cb -0.13 -0.86 0.35 0.00 0.52 0.00 0.00 34.95 34.83 3hua s ARG 14 CO -0.06 0.02 1.31 1.28 0.02 0.00 0.00 175.30 177.87 3hua n LEU 15 N 3.63 1.16 -4.53 2.53 4.77 -1.26 -0.01 117.00 123.29 3hua n LEU 15 Ca -0.21 -0.37 -0.30 0.00 -0.03 0.00 0.00 56.01 55.10 3hua n LEU 15 Cb 0.53 -0.10 -0.11 0.00 -2.33 0.00 0.00 43.42 41.41 3hua n LEU 15 CO 0.24 0.23 -0.46 -0.54 -1.33 0.00 0.00 177.39 175.54 3hua s LYS 16 N -2.68 1.98 0.11 3.23 1.02 -1.26 -1.07 119.74 121.06 3hua s LYS 16 Ca 0.17 -1.08 -0.36 0.00 0.02 0.00 0.00 55.97 54.73 3hua s LYS 16 Cb 0.18 -2.22 -0.15 0.00 -0.52 0.00 0.00 37.83 35.12 3hua s LYS 16 CO 0.63 0.50 1.46 -0.89 -0.92 0.00 0.00 175.35 176.13 3hua n ILE 17 N 0.83 0.02 -4.25 2.17 5.41 -0.74 -4.72 119.36 118.08 3hua n ILE 17 Ca -0.15 -0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.46 3hua n ILE 17 Cb 0.52 -1.15 -0.10 0.00 -0.71 0.00 0.00 39.64 38.20 3hua n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 3hua s TYR 18 N 0.81 1.29 -0.14 1.39 -0.85 -0.30 -4.96 117.35 114.60 3hua s TYR 18 Ca 0.83 -1.24 -0.11 0.00 -0.52 0.00 0.00 57.07 56.02 3hua s TYR 18 Cb -0.84 -0.71 -0.05 0.00 0.38 0.00 0.00 41.96 40.75 3hua s TYR 18 CO 0.44 -0.45 0.23 0.15 -1.52 0.00 0.00 175.55 174.40 3hua s LYS 19 N -4.07 3.98 0.24 -3.49 1.02 -1.26 -0.23 119.74 115.93 3hua s LYS 19 Ca 0.35 0.01 -0.04 0.00 0.02 0.00 0.00 55.97 56.31 3hua s LYS 19 Cb 0.07 -3.33 0.06 0.00 -0.52 0.00 0.00 37.83 34.10 3hua s LYS 19 CO 0.11 0.45 0.26 -0.40 -0.92 0.00 0.00 175.35 174.85 3hua n ASP 20 N 2.90 -0.59 0.28 2.83 5.68 0.06 -4.80 116.55 122.92 3hua n ASP 20 Ca -0.15 -0.88 0.16 0.00 -0.50 0.00 0.00 54.79 53.42 3hua n ASP 20 Cb 0.53 -0.22 0.84 0.00 -1.14 0.00 0.00 41.12 41.13 3hua n ASP 20 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3hua h THR 21 N -1.46 0.37 -0.19 2.12 1.35 -1.99 -0.89 112.91 112.22 3hua h THR 21 Ca -0.09 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 3hua h THR 21 Cb 0.26 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 3hua h THR 21 CO 0.06 0.06 0.00 -0.62 -0.25 0.00 0.00 175.52 174.78 3hua n GLU 22 N -3.47 2.10 -0.72 4.72 -0.58 -1.26 -4.95 120.64 116.48 3hua n GLU 22 Ca -0.02 -1.64 0.00 0.00 -0.42 0.00 0.00 57.16 55.08 3hua n GLU 22 Cb 0.20 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 3hua n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hua n GLY 23 N 1.31 0.60 3.85 0.62 0.00 -0.34 -5.06 105.19 106.16 3hua n GLY 23 Ca 0.17 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 3hua n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hua s TYR 24 N -2.00 3.55 0.21 1.61 4.12 -1.26 -4.70 117.35 118.87 3hua s TYR 24 Ca 0.00 0.48 -0.32 0.00 0.02 0.00 0.00 57.07 57.25 3hua s TYR 24 Cb 0.00 -1.95 -0.12 0.00 -1.52 0.00 0.00 41.96 38.37 3hua s TYR 24 CO 0.00 0.67 1.72 0.71 0.02 0.00 0.00 175.55 178.67 3hua s TYR 25 N -0.86 2.89 0.09 2.71 1.51 -1.22 -0.76 117.35 121.71 3hua s TYR 25 Ca 0.14 0.34 -0.09 0.00 -1.01 0.00 0.00 57.07 56.45 3hua s TYR 25 Cb -0.12 -4.14 -0.00 0.00 -0.11 0.00 0.00 41.96 37.59 3hua s TYR 25 CO 0.03 -4.33 0.19 0.99 -1.11 0.00 0.00 175.55 171.32 3hua s THR 26 N 1.21 0.14 0.16 -0.71 2.01 0.68 -0.82 115.64 118.30 3hua s THR 26 Ca 0.75 -1.19 -0.11 0.00 0.31 0.00 0.00 61.69 61.45 3hua s THR 26 Cb -0.50 -1.35 0.00 0.00 0.01 0.00 0.00 72.50 70.67 3hua s THR 26 CO 0.32 -0.65 0.31 -0.51 -0.69 0.00 0.00 174.62 173.40 3hua s ILE 27 N -3.86 0.07 0.00 1.82 2.07 -0.32 -1.15 121.20 119.84 3hua s ILE 27 Ca 0.05 -1.22 0.00 0.00 -1.41 0.00 0.00 60.65 58.07 3hua s ILE 27 Cb 0.05 -1.69 0.00 0.00 0.13 0.00 0.00 42.46 40.95 3hua s ILE 27 CO -0.11 -0.32 0.00 0.61 -1.91 0.00 0.00 174.94 173.21 3hua n GLY 28 N -0.21 2.08 2.94 1.50 0.00 0.99 -1.18 105.19 111.31 3hua n GLY 28 Ca -0.09 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 3hua n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hua n ILE 29 N 0.00 4.00 -2.47 -0.61 5.41 -1.26 -1.62 119.36 122.82 3hua n ILE 29 Ca 0.00 -5.50 -0.17 0.00 1.00 0.00 0.00 62.75 58.07 3hua n ILE 29 Cb 0.00 -2.22 0.00 0.00 -0.71 0.00 0.00 39.64 36.71 3hua n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hua n GLY 30 N 1.63 -0.33 3.54 7.39 0.00 -1.24 -4.87 105.19 111.30 3hua n GLY 30 Ca 0.26 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3hua n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3hua s HIS 31 N -2.91 2.55 0.12 1.61 5.04 -0.32 -4.93 115.29 116.46 3hua s HIS 31 Ca 0.06 0.01 -0.31 0.00 -1.54 0.00 0.00 55.06 53.28 3hua s HIS 31 Cb -0.03 -4.42 -0.09 0.00 0.04 0.00 0.00 32.58 28.08 3hua s HIS 31 CO 0.08 -1.71 1.53 -1.17 -2.34 0.00 0.00 174.74 171.13 3hua s LEU 32 N 4.84 4.37 -0.21 8.88 2.96 -1.26 -1.17 118.68 137.08 3hua s LEU 32 Ca 0.34 2.49 -0.15 0.00 -0.22 0.00 0.00 54.13 56.59 3hua s LEU 32 Cb -0.10 -3.58 -0.19 0.00 0.50 0.00 0.00 46.19 42.82 3hua s LEU 32 CO 0.18 -0.79 0.07 0.18 -1.32 0.00 0.00 176.35 174.67 3hua n LEU 33 N 4.36 2.11 -3.52 -0.68 4.77 -0.01 -4.94 117.00 119.09 3hua n LEU 33 Ca 0.14 0.32 -0.09 0.00 -0.03 0.00 0.00 56.01 56.34 3hua n LEU 33 Cb 0.40 -0.96 -0.03 0.00 -2.33 0.00 0.00 43.42 40.51 3hua n LEU 33 CO 0.61 0.51 0.70 0.28 -1.33 0.00 0.00 177.39 178.16 3hua s THR 34 N -2.45 0.00 -2.15 -5.08 -1.32 -1.18 -4.89 115.64 98.58 3hua s THR 34 Ca -0.31 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.43 3hua s THR 34 Cb 0.08 -1.00 0.29 0.00 -1.51 0.00 0.00 72.50 70.36 3hua s THR 34 CO 0.60 0.00 1.50 0.29 -2.21 0.00 0.00 174.62 174.80 3hua n LYS 35 N 0.06 1.30 -1.98 7.08 5.02 -1.26 -3.37 118.16 125.01 3hua n LYS 35 Ca -0.09 -0.88 -0.41 0.00 -2.02 0.00 0.00 58.31 54.91 3hua n LYS 35 Cb 0.60 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 34.12 3hua n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3hua s SER 36 N -2.30 6.59 0.00 4.39 0.15 -1.26 -4.92 113.70 116.35 3hua s SER 36 Ca 0.27 2.83 0.25 0.00 0.70 0.00 0.00 55.95 60.00 3hua s SER 36 Cb 0.20 -2.65 1.37 0.00 -1.71 0.00 0.00 66.02 63.22 3hua s SER 36 CO 0.45 -0.69 1.85 -0.81 1.20 0.00 0.00 173.24 175.24 3hua n PRO 37 N 0.89 0.55 -2.91 5.44 -0.04 -1.26 -4.71 135.00 132.96 3hua n PRO 37 Ca 0.01 0.03 -0.43 0.00 -0.04 0.00 0.00 63.50 63.08 3hua n PRO 37 Cb 0.41 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.32 3hua n PRO 37 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3hua s ASP 38 N -2.32 6.50 0.45 3.54 -1.08 -1.26 -4.92 116.67 117.58 3hua s ASP 38 Ca 0.30 0.16 0.13 0.00 -0.52 0.00 0.00 52.55 52.61 3hua s ASP 38 Cb 0.17 -2.41 1.05 0.00 -1.46 0.00 0.00 42.92 40.27 3hua s ASP 38 CO 0.34 -0.88 2.04 0.25 0.52 0.00 0.00 175.17 177.44 3hua h LEU 39 N 10.11 0.30 -0.92 -1.34 5.85 -2.00 -1.51 115.31 125.80 3hua h LEU 39 Ca -0.24 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.40 3hua h LEU 39 Cb 1.09 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 3hua h LEU 39 CO 0.96 0.20 0.01 0.78 -0.34 0.00 0.00 178.44 180.05 3hua h ASN 40 N 0.35 0.77 -0.63 1.25 2.35 -1.98 0.25 115.58 117.93 3hua h ASN 40 Ca 0.18 -0.18 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 3hua h ASN 40 Cb 0.27 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 3hua h ASN 40 CO -0.04 0.83 0.08 0.00 -1.65 0.00 0.00 177.43 176.64 3hua h ALA 41 N 1.26 0.92 -0.58 -0.83 0.00 -1.69 -1.31 119.26 117.04 3hua h ALA 41 Ca 0.15 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3hua h ALA 41 Cb 0.44 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3hua h ALA 41 CO 0.02 0.66 0.24 0.00 0.00 0.00 0.00 179.25 180.16 3hua h ALA 42 N 1.08 0.75 -0.60 0.00 0.00 -0.98 -1.54 119.26 117.97 3hua h ALA 42 Ca 0.19 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3hua h ALA 42 Cb 0.47 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3hua h ALA 42 CO 0.02 0.36 0.18 0.87 0.00 0.00 0.00 179.25 180.67 3hua h LYS 43 N 0.80 0.90 -0.23 0.00 1.57 -0.75 -0.66 116.57 118.19 3hua h LYS 43 Ca 0.19 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3hua h LYS 43 Cb 0.19 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3hua h LYS 43 CO -0.02 0.79 0.09 0.77 -0.57 0.00 0.00 179.45 180.51 3hua h SER 44 N 0.88 0.32 -0.91 0.86 0.02 -1.02 -1.15 113.55 112.55 3hua h SER 44 Ca 0.20 -0.17 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 3hua h SER 44 Cb 0.27 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.67 3hua h SER 44 CO -0.01 0.40 0.59 -0.33 -1.14 0.00 0.00 176.83 176.35 3hua h GLU 45 N 0.22 1.11 0.11 3.45 4.39 -0.95 -1.09 114.58 121.82 3hua h GLU 45 Ca 0.08 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 3hua h GLU 45 Cb 0.18 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 3hua h GLU 45 CO -0.01 0.73 -0.05 1.25 -1.16 0.00 0.00 179.01 179.78 3hua h LEU 46 N 1.14 -0.12 -0.88 1.33 5.85 -0.90 -0.46 115.31 121.27 3hua h LEU 46 Ca 0.37 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 59.11 3hua h LEU 46 Cb 0.01 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 3hua h LEU 46 CO -0.12 -0.07 0.56 0.44 -0.34 0.00 0.00 178.44 178.91 3hua h ASP 47 N -0.17 0.92 -0.75 1.25 3.32 -0.90 -0.68 116.42 119.41 3hua h ASP 47 Ca -0.02 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 3hua h ASP 47 Cb 0.14 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 3hua h ASP 47 CO 0.02 0.62 0.37 0.50 -1.72 0.00 0.00 179.24 179.04 3hua h LYS 48 N 1.07 1.06 -0.41 3.56 3.64 -1.02 0.18 116.57 124.66 3hua h LYS 48 Ca 0.36 -0.15 -0.12 0.00 -1.27 0.00 0.00 60.65 59.47 3hua h LYS 48 Cb 0.06 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 3hua h LYS 48 CO -0.14 0.82 -0.23 0.00 -2.27 0.00 0.00 179.45 177.63 3hua h ALA 49 N 1.19 0.82 0.00 5.00 0.00 -0.16 -3.27 119.26 122.84 3hua h ALA 49 Ca 0.26 -0.38 -0.21 0.00 0.00 0.00 0.00 54.91 54.58 3hua h ALA 49 Cb 0.09 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3hua h ALA 49 CO -0.04 0.64 -1.68 -0.89 0.00 0.00 0.00 179.25 177.29 3hua n ILE 50 N -4.11 1.20 -0.74 0.00 2.08 -0.35 -4.99 119.36 112.45 3hua n ILE 50 Ca -0.00 -0.72 0.00 0.00 0.56 0.00 0.00 62.75 62.59 3hua n ILE 50 Cb 0.45 -0.68 0.00 0.00 -0.75 0.00 0.00 39.64 38.65 3hua n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3hua n GLY 51 N 1.47 0.54 3.52 7.39 0.00 0.64 -5.06 105.19 113.69 3hua n GLY 51 Ca -0.14 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.00 3hua n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hua s ARG 52 N -1.43 1.43 -0.60 1.61 1.70 -1.15 -5.05 118.95 115.46 3hua s ARG 52 Ca 0.00 -1.17 -0.28 0.00 -0.47 0.00 0.00 55.73 53.81 3hua s ARG 52 Cb 0.00 0.46 0.02 0.00 -0.57 0.00 0.00 34.95 34.86 3hua s ARG 52 CO 0.00 -0.58 1.32 1.21 -1.08 0.00 0.00 175.30 176.16 3hua s ASN 53 N -2.98 6.24 0.10 -2.89 3.84 -1.26 -4.35 114.94 113.64 3hua s ASN 53 Ca 0.19 0.09 0.22 0.00 0.21 0.00 0.00 52.86 53.58 3hua s ASN 53 Cb 0.00 -2.55 -0.11 0.00 -0.55 0.00 0.00 41.25 38.04 3hua s ASN 53 CO 0.05 -1.66 0.85 0.00 -2.79 0.00 0.00 177.10 173.55 3hua n ASN 55 N -2.45 -0.69 0.00 0.00 3.02 -1.26 -2.20 115.26 111.68 3hua n ASN 55 Ca -0.01 -1.22 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 3hua n ASN 55 Cb 0.54 -1.99 0.00 0.00 -0.61 0.00 0.00 39.78 37.73 3hua n ASN 55 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hua n GLY 56 N -2.32 0.39 2.96 7.41 0.00 -1.26 -5.01 105.19 107.37 3hua n GLY 56 Ca -0.27 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.58 3hua n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hua s VAL 57 N -1.87 0.52 0.33 1.61 1.01 -0.94 -1.80 120.40 119.27 3hua s VAL 57 Ca 0.00 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 61.77 3hua s VAL 57 Cb 0.00 -0.47 -0.06 0.00 0.00 0.00 0.00 36.38 35.85 3hua s VAL 57 CO 0.00 0.17 0.07 0.27 0.00 0.00 0.00 175.10 175.60 3hua s ILE 58 N 0.09 1.09 0.50 2.22 -4.36 -0.23 -4.76 121.20 115.75 3hua s ILE 58 Ca -0.01 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.38 3hua s ILE 58 Cb -0.05 -2.74 0.01 0.00 1.25 0.00 0.00 42.46 40.93 3hua s ILE 58 CO -0.00 0.00 0.73 0.42 0.24 0.00 0.00 174.94 176.33 3hua s THR 59 N -3.32 3.56 0.23 8.37 -4.23 -1.26 -4.79 115.64 114.19 3hua s THR 59 Ca 0.35 -0.49 -0.08 0.00 -1.18 0.00 0.00 61.69 60.29 3hua s THR 59 Cb 0.08 -3.33 0.19 0.00 1.34 0.00 0.00 72.50 70.78 3hua s THR 59 CO 0.15 -0.25 1.87 0.50 -0.54 0.00 0.00 174.62 176.35 3hua h LYS 60 N 0.23 0.97 -0.66 3.99 3.64 -1.99 -0.40 116.57 122.36 3hua h LYS 60 Ca -0.45 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 58.88 3hua h LYS 60 Cb 1.27 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.83 3hua h LYS 60 CO 0.56 0.64 0.44 -0.44 -2.27 0.00 0.00 179.45 178.38 3hua h ASP 61 N 1.00 0.76 -0.64 4.20 5.19 -1.99 -0.05 116.42 124.89 3hua h ASP 61 Ca 0.33 -0.02 -0.05 0.00 -0.62 0.00 0.00 57.03 56.67 3hua h ASP 61 Cb 0.03 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 39.32 3hua h ASP 61 CO -0.12 0.55 0.20 -0.33 -3.12 0.00 0.00 179.24 176.42 3hua h GLU 62 N 0.89 0.99 -0.77 3.56 5.08 -1.81 -0.84 114.58 121.69 3hua h GLU 62 Ca 0.24 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3hua h GLU 62 Cb -0.10 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 28.97 3hua h GLU 62 CO -0.05 0.87 0.46 0.00 -1.00 0.00 0.00 179.01 179.29 3hua h ALA 63 N 1.07 0.98 -0.05 3.43 0.00 -0.60 -1.89 119.26 122.21 3hua h ALA 63 Ca 0.21 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3hua h ALA 63 Cb 0.29 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3hua h ALA 63 CO -0.01 0.45 -0.45 0.93 0.00 0.00 0.00 179.25 180.17 3hua h GLU 64 N 1.05 0.11 -0.14 0.00 5.08 -0.74 -1.42 114.58 118.52 3hua h GLU 64 Ca 0.27 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 3hua h GLU 64 Cb -0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3hua h GLU 64 CO -0.05 0.55 0.01 -0.22 -1.00 0.00 0.00 179.01 178.30 3hua h LYS 65 N 0.09 0.24 -0.97 2.33 3.64 -0.75 -0.72 116.57 120.43 3hua h LYS 65 Ca 0.00 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.35 3hua h LYS 65 Cb 0.84 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.58 3hua h LYS 65 CO 0.06 0.45 0.64 -0.07 -2.27 0.00 0.00 179.45 178.26 3hua h LEU 66 N 0.01 1.06 -0.38 5.20 3.38 -1.23 -1.74 115.31 121.61 3hua h LEU 66 Ca 0.04 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3hua h LEU 66 Cb 0.33 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3hua h LEU 66 CO 0.00 0.73 0.20 0.15 0.09 0.00 0.00 178.44 179.62 3hua h PHE 67 N 1.23 0.52 -0.59 1.13 3.57 -1.03 0.19 116.94 121.96 3hua h PHE 67 Ca 0.39 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.88 3hua h PHE 67 Cb -0.00 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 3hua h PHE 67 CO -0.01 0.41 0.38 -0.97 -2.23 0.00 0.00 178.31 175.90 3hua h ASN 68 N 0.48 0.69 -0.50 0.41 -0.73 -0.77 -0.25 115.58 114.90 3hua h ASN 68 Ca 0.13 -0.03 -0.01 0.00 1.87 0.00 0.00 56.30 58.26 3hua h ASN 68 Cb 0.07 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.46 3hua h ASN 68 CO -0.02 0.51 0.26 1.56 -0.37 0.00 0.00 177.43 179.37 3hua h GLN 69 N 0.80 0.71 -0.49 6.67 4.20 -0.94 -1.97 115.11 124.10 3hua h GLN 69 Ca 0.22 -0.09 -0.12 0.00 0.06 0.00 0.00 58.65 58.71 3hua h GLN 69 Cb -0.07 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 3hua h GLN 69 CO -0.04 0.57 -0.17 -0.44 -0.67 0.00 0.00 178.83 178.08 3hua h ASP 70 N 0.67 0.98 -0.19 1.46 3.32 -0.20 -0.41 116.42 122.05 3hua h ASP 70 Ca 0.18 -0.35 -0.03 0.00 0.02 0.00 0.00 57.03 56.85 3hua h ASP 70 Cb 0.08 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3hua h ASP 70 CO -0.03 1.13 0.02 0.58 -1.72 0.00 0.00 179.24 179.22 3hua h VAL 71 N 0.85 1.24 -0.10 -1.35 2.07 -1.01 -0.83 116.25 117.12 3hua h VAL 71 Ca 0.12 -0.80 0.04 0.00 0.82 0.00 0.00 66.70 66.88 3hua h VAL 71 Cb 0.73 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.86 3hua h VAL 71 CO 0.06 0.24 -0.17 -0.78 0.02 0.00 0.00 177.57 176.94 3hua h ASP 72 N 0.09 -0.53 -0.38 0.57 1.82 -1.24 -1.50 116.42 115.26 3hua h ASP 72 Ca 0.06 0.09 -0.04 0.00 -0.39 0.00 0.00 57.03 56.75 3hua h ASP 72 Cb 0.35 0.24 -0.02 0.00 0.68 0.00 0.00 39.33 40.58 3hua h ASP 72 CO 0.01 -0.22 0.11 0.00 -1.61 0.00 0.00 179.24 177.53 3hua h ALA 73 N 0.78 1.36 -0.09 -0.78 0.00 -1.01 -0.66 119.26 118.86 3hua h ALA 73 Ca 0.09 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hua h ALA 73 Cb 0.35 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3hua h ALA 73 CO -0.24 0.46 0.05 0.00 0.00 0.00 0.00 179.25 179.52 3hua h ALA 74 N 1.48 0.12 -0.38 0.00 0.00 -0.55 0.09 119.26 120.02 3hua h ALA 74 Ca 0.15 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 3hua h ALA 74 Cb 0.24 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3hua h ALA 74 CO -0.00 -0.33 -0.39 -0.24 0.00 0.00 0.00 179.25 178.28 3hua h VAL 75 N 0.04 1.27 -0.88 0.00 3.04 -1.07 -2.07 116.25 116.58 3hua h VAL 75 Ca 0.03 -1.57 -0.01 0.00 -1.01 0.00 0.00 66.70 64.14 3hua h VAL 75 Cb 0.10 1.39 -0.04 0.00 -2.01 0.00 0.00 31.29 30.73 3hua h VAL 75 CO -0.00 0.52 0.50 0.03 -1.01 0.00 0.00 177.57 177.61 3hua h ARG 76 N 0.75 1.21 -0.65 4.17 2.47 -1.07 -1.86 114.38 119.41 3hua h ARG 76 Ca 0.06 -0.13 0.02 0.00 -1.26 0.00 0.00 59.98 58.67 3hua h ARG 76 Cb 0.98 -0.25 -0.04 0.00 -1.65 0.00 0.00 29.97 29.02 3hua h ARG 76 CO 0.10 0.87 0.41 0.78 0.56 0.00 0.00 179.97 182.69 3hua h GLY 77 N 1.24 0.92 0.55 0.04 0.00 -0.78 -1.54 103.07 103.51 3hua h GLY 77 Ca 0.31 -0.32 0.05 0.00 0.00 0.00 0.00 47.33 47.37 3hua h GLY 77 CO -0.05 0.29 0.01 -2.22 0.00 0.00 0.00 176.54 174.56 3hua h ILE 78 N 0.83 0.80 0.00 2.60 2.04 -0.68 -1.89 117.51 121.20 3hua h ILE 78 Ca 0.25 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 66.05 3hua h ILE 78 Cb -0.03 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3hua h ILE 78 CO -0.08 0.02 -0.15 -0.07 0.00 0.00 0.00 178.15 177.87 3hua h LEU 79 N 0.10 0.00 -0.53 1.44 3.38 -0.94 -1.76 115.31 117.00 3hua h LEU 79 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3hua h LEU 79 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3hua h LEU 79 CO -0.23 0.15 -0.17 0.54 0.09 0.00 0.00 178.44 178.82 3hua n ARG 80 N -3.86 0.99 -3.47 1.13 1.74 -0.62 -4.78 116.66 107.79 3hua n ARG 80 Ca -0.02 -0.53 -0.39 0.00 -0.77 0.00 0.00 57.85 56.14 3hua n ARG 80 Cb 0.25 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.10 3hua n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3hua s ASN 81 N -2.38 6.17 0.45 0.55 3.84 -0.67 -4.98 114.94 117.93 3hua s ASN 81 Ca 0.29 0.19 0.18 0.00 0.21 0.00 0.00 52.86 53.72 3hua s ASN 81 Cb 0.20 -2.18 1.04 0.00 -0.55 0.00 0.00 41.25 39.77 3hua s ASN 81 CO 0.47 -0.13 1.96 0.00 -2.79 0.00 0.00 177.10 176.61 3hua h ALA 82 N 8.20 1.48 0.07 1.71 0.00 -1.88 0.23 119.26 129.07 3hua h ALA 82 Ca -0.33 -0.20 -0.25 0.00 0.00 0.00 0.00 54.91 54.13 3hua h ALA 82 Cb 1.17 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3hua h ALA 82 CO 0.61 0.27 -1.16 0.87 0.00 0.00 0.00 179.25 179.84 3hua h LYS 83 N 0.00 0.15 0.09 0.00 1.79 -1.93 -3.39 116.57 113.27 3hua h LYS 83 Ca -0.00 -0.25 -0.36 0.00 -2.18 0.00 0.00 60.65 57.86 3hua h LYS 83 Cb 0.43 0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 31.15 3hua h LYS 83 CO 0.03 1.10 -2.01 1.28 -1.08 0.00 0.00 179.45 178.78 3hua n LEU 84 N -3.44 2.35 -0.05 2.94 4.77 -0.93 -4.40 117.00 118.24 3hua n LEU 84 Ca -0.05 0.21 -0.08 0.00 -0.03 0.00 0.00 56.01 56.06 3hua n LEU 84 Cb 0.99 -0.87 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 3hua n LEU 84 CO 0.51 0.78 0.77 0.50 -1.33 0.00 0.00 177.39 178.62 3hua h LYS 85 N 0.05 -0.12 -0.35 3.23 3.64 -0.93 0.49 116.57 122.59 3hua h LYS 85 Ca -0.42 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 58.93 3hua h LYS 85 Cb 2.02 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.85 3hua h LYS 85 CO 0.07 -0.08 0.06 -1.00 -2.27 0.00 0.00 179.45 176.23 3hua h PRO 86 N -0.12 0.53 -0.12 1.90 0.13 -1.79 0.85 132.00 133.37 3hua h PRO 86 Ca 0.13 -0.09 -0.03 0.00 -0.87 0.00 0.00 66.00 65.13 3hua h PRO 86 Cb 0.32 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.36 3hua h PRO 86 CO -0.31 0.51 -0.05 0.28 -0.23 0.00 0.00 178.00 178.20 3hua h VAL 87 N 0.52 1.31 -0.22 1.56 2.07 -1.61 -2.29 116.25 117.59 3hua h VAL 87 Ca 0.12 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.61 3hua h VAL 87 Cb 0.25 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 3hua h VAL 87 CO 0.00 0.31 0.04 0.22 0.02 0.00 0.00 177.57 178.15 3hua h TYR 88 N -0.09 0.06 0.00 1.57 3.20 -0.55 -1.92 116.97 119.25 3hua h TYR 88 Ca 0.03 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3hua h TYR 88 Cb 0.50 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.78 3hua h TYR 88 CO 0.06 0.01 -0.05 -0.44 -1.64 0.00 0.00 178.16 176.11 3hua h ASP 89 N 0.12 0.00 1.45 -2.11 3.32 -0.84 -1.88 116.42 116.49 3hua h ASP 89 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3hua h ASP 89 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3hua h ASP 89 CO -0.14 0.05 0.00 0.77 -1.72 0.00 0.00 179.24 178.20 3hua h SER 90 N 0.00 0.00 -3.72 6.45 4.64 -0.74 -3.46 113.55 116.72 3hua h SER 90 Ca -0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 3hua h SER 90 Cb 0.32 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3hua h SER 90 CO 0.01 0.00 0.12 -0.76 -0.87 0.00 0.00 176.83 175.32 3hua s LEU 91 N -5.78 3.90 0.99 5.97 1.43 -0.71 -5.07 118.68 119.42 3hua s LEU 91 Ca 0.05 1.19 -0.12 0.00 -1.03 0.00 0.00 54.13 54.22 3hua s LEU 91 Cb 0.08 -4.05 0.18 0.00 0.03 0.00 0.00 46.19 42.43 3hua s LEU 91 CO 0.59 -0.34 1.10 1.51 0.23 0.00 0.00 176.35 179.43 3hua s ASP 92 N -2.88 2.71 0.28 2.29 1.47 -1.26 -4.80 116.67 114.49 3hua s ASP 92 Ca 0.52 1.15 -0.03 0.00 1.18 0.00 0.00 52.55 55.38 3hua s ASP 92 Cb -0.10 -1.81 0.39 0.00 -0.34 0.00 0.00 42.92 41.06 3hua s ASP 92 CO 0.27 -3.07 1.91 0.00 0.68 0.00 0.00 175.17 174.96 3hua h ALA 93 N -1.85 1.31 -0.13 2.11 0.00 -1.97 -0.79 119.26 117.94 3hua h ALA 93 Ca -0.54 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.20 3hua h ALA 93 Cb 1.33 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3hua h ALA 93 CO 0.58 0.57 -0.15 0.28 0.00 0.00 0.00 179.25 180.53 3hua h VAL 94 N 1.07 1.36 -0.05 0.00 2.07 -1.94 -2.88 116.25 115.88 3hua h VAL 94 Ca 0.27 -1.35 -0.06 0.00 0.82 0.00 0.00 66.70 66.38 3hua h VAL 94 Cb 0.01 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 3hua h VAL 94 CO -0.05 0.39 -0.25 0.03 0.02 0.00 0.00 177.57 177.71 3hua h ARG 95 N -0.07 0.08 -0.80 1.57 3.08 -1.77 -1.24 114.38 115.23 3hua h ARG 95 Ca 0.02 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.10 3hua h ARG 95 Cb 0.70 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.69 3hua h ARG 95 CO 0.04 0.33 0.52 0.00 -1.07 0.00 0.00 179.97 179.79 3hua h ARG 96 N 0.08 0.86 -0.61 0.04 3.08 -1.05 -1.72 114.38 115.06 3hua h ARG 96 Ca 0.01 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 3hua h ARG 96 Cb 0.49 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 3hua h ARG 96 CO 0.03 0.57 0.15 0.00 -1.07 0.00 0.00 179.97 179.66 3hua h ALA 98 N 1.25 1.04 -0.48 0.00 0.00 -1.13 -0.77 119.26 119.17 3hua h ALA 98 Ca 0.20 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3hua h ALA 98 Cb 0.32 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3hua h ALA 98 CO -0.00 0.57 0.19 0.00 0.00 0.00 0.00 179.25 180.02 3hua h ALA 99 N 1.22 0.62 -0.70 0.00 0.00 -0.88 -1.50 119.26 118.02 3hua h ALA 99 Ca 0.28 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3hua h ALA 99 Cb 0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3hua h ALA 99 CO -0.04 0.22 0.34 0.82 0.00 0.00 0.00 179.25 180.59 3hua h ILE 100 N 0.63 1.23 -0.14 0.00 2.04 -0.92 -1.74 117.51 118.61 3hua h ILE 100 Ca 0.16 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.40 3hua h ILE 100 Cb 0.19 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 3hua h ILE 100 CO -0.01 0.27 0.04 -1.13 0.00 0.00 0.00 178.15 177.31 3hua h ASN 101 N 0.97 0.03 -0.52 1.72 -0.73 -0.88 0.14 115.58 116.31 3hua h ASN 101 Ca 0.24 0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.42 3hua h ASN 101 Cb 0.11 0.02 -0.02 0.00 0.27 0.00 0.00 38.32 38.69 3hua h ASN 101 CO -0.03 0.04 0.29 -0.61 -0.37 0.00 0.00 177.43 176.75 3hua h GLN 102 N 0.10 0.73 -0.70 6.67 4.15 -1.08 -1.44 115.11 123.53 3hua h GLN 102 Ca 0.06 -0.08 -0.06 0.00 0.77 0.00 0.00 58.65 59.33 3hua h GLN 102 Cb 0.04 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.56 3hua h GLN 102 CO -0.07 0.56 0.19 0.28 -1.93 0.00 0.00 178.83 177.86 3hua h VAL 103 N 0.70 1.26 -0.64 2.39 2.07 -1.04 -0.25 116.25 120.74 3hua h VAL 103 Ca 0.19 -0.93 0.04 0.00 0.82 0.00 0.00 66.70 66.81 3hua h VAL 103 Cb 0.04 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 3hua h VAL 103 CO -0.03 0.36 0.38 0.15 0.02 0.00 0.00 177.57 178.45 3hua h PHE 104 N 1.05 0.71 -0.05 1.57 3.57 -0.30 0.33 116.94 123.82 3hua h PHE 104 Ca 0.22 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.57 3hua h PHE 104 Cb 0.34 -0.23 0.01 0.00 2.79 0.00 0.00 35.95 38.86 3hua h PHE 104 CO 0.03 0.39 -0.67 0.37 -2.23 0.00 0.00 178.31 176.20 3hua h GLN 105 N 0.74 0.53 -0.00 1.11 4.15 -0.91 -3.39 115.11 117.35 3hua h GLN 105 Ca 0.27 -0.51 0.00 0.00 0.77 0.00 0.00 58.65 59.17 3hua h GLN 105 Cb 0.07 0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.89 3hua h GLN 105 CO -0.13 1.14 -0.20 0.00 -1.93 0.00 0.00 178.83 177.72 3hua n MET 106 N -4.13 3.30 -0.51 1.69 0.00 -0.14 -5.11 117.12 112.23 3hua n MET 106 Ca -0.09 -0.30 0.07 0.00 0.00 0.00 0.00 57.70 57.37 3hua n MET 106 Cb 0.70 -0.91 -0.02 0.00 0.00 0.00 0.00 33.22 32.99 3hua n MET 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3hua n GLY 107 N 0.90 -2.07 0.18 3.17 0.00 0.11 -2.60 105.19 104.89 3hua n GLY 107 Ca 0.02 -1.37 0.12 0.00 0.00 0.00 0.00 46.02 44.79 3hua n GLY 107 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hua h GLU 108 N 0.00 0.00 -0.37 1.61 5.08 -1.95 -2.28 114.58 116.67 3hua h GLU 108 Ca 0.01 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 3hua h GLU 108 Cb 0.46 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3hua h GLU 108 CO 0.00 0.00 -0.23 1.79 -1.00 0.00 0.00 179.01 179.57 3hua h THR 109 N 0.00 1.28 -0.14 1.13 1.35 -1.98 -2.29 112.91 112.27 3hua h THR 109 Ca 0.00 -1.37 -0.01 0.00 -0.55 0.00 0.00 66.41 64.47 3hua h THR 109 Cb 0.97 1.37 -0.01 0.00 -1.73 0.00 0.00 68.15 68.75 3hua h THR 109 CO 0.00 0.45 0.05 1.23 -0.25 0.00 0.00 175.52 177.00 3hua h GLY 110 N 0.60 0.23 2.00 5.82 0.00 -1.36 -2.87 103.07 107.49 3hua h GLY 110 Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3hua h GLY 110 CO 0.06 0.13 0.00 -2.08 0.00 0.00 0.00 176.54 174.65 3hua h VAL 111 N 0.05 0.00 -0.47 4.60 2.07 -1.48 -2.65 116.25 118.37 3hua h VAL 111 Ca 0.05 -0.44 0.14 0.00 0.82 0.00 0.00 66.70 67.26 3hua h VAL 111 Cb 0.21 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3hua h VAL 111 CO -0.00 0.00 0.42 0.00 0.02 0.00 0.00 177.57 178.01 3hua h ALA 112 N 2.18 2.26 0.00 1.67 0.00 -1.17 -1.83 119.26 122.37 3hua h ALA 112 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hua h ALA 112 Cb 0.53 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3hua h ALA 112 CO 0.00 -0.66 0.00 0.41 0.00 0.00 0.00 179.25 179.00 3hua n GLY 113 N -1.54 -0.08 1.07 0.00 0.00 -1.00 -4.20 105.19 99.44 3hua n GLY 113 Ca 0.08 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.12 3hua n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hua n PHE 114 N -0.27 0.38 -0.23 1.61 3.01 -0.69 -4.84 117.46 116.43 3hua n PHE 114 Ca 0.00 -1.38 0.03 0.00 1.01 0.00 0.00 57.45 57.11 3hua n PHE 114 Cb 0.07 -0.24 0.15 0.00 -0.01 0.00 0.00 39.48 39.44 3hua n PHE 114 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 3hua h THR 115 N 2.72 0.61 -0.18 4.37 2.02 -1.82 0.30 112.91 120.93 3hua h THR 115 Ca -0.02 -0.11 -0.17 0.00 0.77 0.00 0.00 66.41 66.89 3hua h THR 115 Cb 1.28 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 67.97 3hua h THR 115 CO 0.12 0.06 -0.59 0.78 0.37 0.00 0.00 175.52 176.25 3hua h ASN 116 N 0.31 0.66 -0.28 4.18 2.35 -1.97 -2.17 115.58 118.66 3hua h ASN 116 Ca 0.36 -0.37 -0.05 0.00 -0.55 0.00 0.00 56.30 55.69 3hua h ASN 116 Cb 0.56 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 3hua h ASN 116 CO -0.43 1.10 -0.02 0.28 -1.65 0.00 0.00 177.43 176.71 3hua h SER 117 N 0.44 0.51 -0.59 5.81 0.02 -1.61 -2.16 113.55 115.96 3hua h SER 117 Ca -0.00 -0.33 -0.05 0.00 -0.84 0.00 0.00 61.79 60.57 3hua h SER 117 Cb 1.15 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.53 3hua h SER 117 CO 0.11 0.71 0.19 -0.07 -1.14 0.00 0.00 176.83 176.63 3hua h LEU 118 N 0.29 0.89 -0.35 5.07 4.07 -1.03 -0.40 115.31 123.86 3hua h LEU 118 Ca 0.08 -0.16 -0.01 0.00 0.08 0.00 0.00 57.88 57.87 3hua h LEU 118 Cb 0.46 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 3hua h LEU 118 CO 0.02 0.85 0.19 -0.09 -1.08 0.00 0.00 178.44 178.32 3hua h ARG 119 N 0.93 0.49 -0.80 1.13 2.43 -1.33 -0.31 114.38 116.92 3hua h ARG 119 Ca 0.21 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 3hua h ARG 119 Cb 0.28 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 3hua h ARG 119 CO -0.01 0.41 0.40 0.52 -1.51 0.00 0.00 179.97 179.78 3hua h MET 120 N 0.44 1.14 -0.42 0.20 2.86 -0.98 -0.78 114.93 117.40 3hua h MET 120 Ca 0.12 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 3hua h MET 120 Cb 0.07 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 3hua h MET 120 CO -0.02 0.87 0.17 -0.07 1.06 0.00 0.00 176.91 178.92 3hua h LEU 121 N 1.14 0.57 -1.52 1.22 3.38 -0.84 -1.21 115.31 118.05 3hua h LEU 121 Ca 0.28 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3hua h LEU 121 Cb 0.09 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3hua h LEU 121 CO -0.04 0.58 0.04 -0.61 0.09 0.00 0.00 178.44 178.50 3hua h GLN 122 N 0.53 0.35 0.00 1.13 4.15 -0.64 -0.68 115.11 119.96 3hua h GLN 122 Ca 0.14 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.51 3hua h GLN 122 Cb 0.18 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.81 3hua h GLN 122 CO -0.01 0.35 0.00 1.04 -1.93 0.00 0.00 178.83 178.28 3hua n GLN 123 N -4.38 0.18 -2.98 1.69 6.02 -0.34 -4.91 117.38 112.66 3hua n GLN 123 Ca 0.01 0.04 -0.21 0.00 -0.01 0.00 0.00 57.00 56.83 3hua n GLN 123 Cb 0.17 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 29.97 3hua n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3hua n LYS 124 N -1.40 -4.71 -2.98 -1.09 5.02 -0.26 -4.92 118.16 107.82 3hua n LYS 124 Ca 0.09 0.87 -0.44 0.00 -2.02 0.00 0.00 58.31 56.81 3hua n LYS 124 Cb 0.26 -5.64 0.00 0.00 -0.02 0.00 0.00 35.03 29.64 3hua n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3hua n ARG 125 N -3.88 3.63 -0.15 1.97 1.74 -0.54 -4.89 116.66 114.54 3hua n ARG 125 Ca -0.11 -4.09 -0.10 0.00 -0.77 0.00 0.00 57.85 52.78 3hua n ARG 125 Cb 0.62 -2.79 -0.01 0.00 -1.02 0.00 0.00 32.46 29.26 3hua n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 3hua h TRP 126 N 6.50 0.80 -0.44 -1.55 -0.00 -1.89 0.44 115.95 119.81 3hua h TRP 126 Ca 0.27 -0.13 -0.13 0.00 -0.00 0.00 0.00 58.89 58.90 3hua h TRP 126 Cb 0.79 -0.21 -0.01 0.00 -0.00 0.00 0.00 29.16 29.73 3hua h TRP 126 CO 1.00 0.78 -0.25 -0.44 -0.00 0.00 0.00 178.44 179.54 3hua h ASP 127 N 0.59 0.97 -0.53 -3.49 5.19 -1.90 -1.51 116.42 115.74 3hua h ASP 127 Ca 0.13 -0.41 -0.04 0.00 -0.62 0.00 0.00 57.03 56.08 3hua h ASP 127 Cb 0.44 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.66 3hua h ASP 127 CO 0.02 1.18 0.17 -0.33 -3.12 0.00 0.00 179.24 177.15 3hua h GLU 128 N 0.77 0.82 -0.64 3.56 5.08 -1.93 -1.54 114.58 120.70 3hua h GLU 128 Ca 0.09 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3hua h GLU 128 Cb 0.82 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 3hua h GLU 128 CO 0.07 0.75 0.43 0.00 -1.00 0.00 0.00 179.01 179.26 3hua h ALA 129 N 1.03 0.82 -0.67 3.43 0.00 -0.81 -1.30 119.26 121.75 3hua h ALA 129 Ca 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3hua h ALA 129 Cb 0.27 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3hua h ALA 129 CO -0.01 0.24 0.35 0.00 0.00 0.00 0.00 179.25 179.84 3hua h ALA 130 N 1.24 0.87 -0.54 0.00 0.00 -0.98 0.60 119.26 120.43 3hua h ALA 130 Ca 0.24 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3hua h ALA 130 Cb -0.10 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 3hua h ALA 130 CO -0.05 0.40 0.30 0.28 0.00 0.00 0.00 179.25 180.17 3hua h VAL 131 N 0.93 1.18 -0.42 0.00 2.07 -1.00 -2.92 116.25 116.08 3hua h VAL 131 Ca 0.24 -0.46 -0.11 0.00 0.82 0.00 0.00 66.70 67.18 3hua h VAL 131 Cb 0.07 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 3hua h VAL 131 CO -0.04 0.20 -0.19 -1.13 0.02 0.00 0.00 177.57 176.43 3hua h ASN 132 N 0.73 0.82 -0.15 0.57 -0.73 -0.75 -2.97 115.58 113.10 3hua h ASN 132 Ca 0.19 -0.29 -0.02 0.00 1.87 0.00 0.00 56.30 58.05 3hua h ASN 132 Cb 0.05 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.40 3hua h ASN 132 CO -0.03 1.00 0.03 -0.07 -0.37 0.00 0.00 177.43 177.99 3hua h LEU 133 N 0.72 0.29 -0.19 0.34 3.38 -0.76 -2.28 115.31 116.82 3hua h LEU 133 Ca 0.10 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3hua h LEU 133 Cb 0.70 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3hua h LEU 133 CO 0.05 0.33 0.00 0.00 0.09 0.00 0.00 178.44 178.91 3hua n ALA 134 N -2.49 2.12 -2.03 1.53 0.00 -1.12 -4.13 120.51 114.39 3hua n ALA 134 Ca 0.00 0.01 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 3hua n ALA 134 Cb 0.17 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3hua n ALA 134 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hua n LYS 135 N -2.27 3.34 -3.60 0.00 5.02 -0.86 -4.67 118.16 115.13 3hua n LYS 135 Ca 0.05 -3.09 -0.15 0.00 -2.02 0.00 0.00 58.31 53.09 3hua n LYS 135 Cb 0.38 -3.06 -0.06 0.00 -0.02 0.00 0.00 35.03 32.27 3hua n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3hua s SER 136 N 1.85 -0.46 0.23 4.39 1.04 -1.26 -5.02 113.70 114.47 3hua s SER 136 Ca 0.44 0.34 -0.07 0.00 0.48 0.00 0.00 55.95 57.14 3hua s SER 136 Cb 0.12 0.47 0.31 0.00 0.10 0.00 0.00 66.02 67.02 3hua s SER 136 CO -0.04 -0.62 1.82 -0.09 0.98 0.00 0.00 173.24 175.28 3hua h ARG 137 N 3.09 0.76 -0.47 4.02 2.43 -1.93 -2.27 114.38 120.01 3hua h ARG 137 Ca -0.29 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 58.92 3hua h ARG 137 Cb 1.18 -0.17 -0.10 0.00 -0.42 0.00 0.00 29.97 30.46 3hua h ARG 137 CO 0.40 0.51 -0.37 2.35 -1.51 0.00 0.00 179.97 181.35 3hua h TRP 138 N 0.79 -1.04 -0.38 2.20 7.01 -1.95 0.45 115.95 123.04 3hua h TRP 138 Ca 0.35 0.07 -0.02 0.00 2.11 0.00 0.00 58.89 61.39 3hua h TRP 138 Cb 0.24 0.52 -0.02 0.00 -2.10 0.00 0.00 29.16 27.80 3hua h TRP 138 CO -0.06 -0.40 0.14 -0.92 -2.79 0.00 0.00 178.44 174.41 3hua h TYR 139 N -0.24 0.59 -0.39 2.65 3.20 -1.76 -1.33 116.97 119.68 3hua h TYR 139 Ca 0.18 -0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.95 3hua h TYR 139 Cb 0.56 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 3hua h TYR 139 CO -0.60 0.54 0.04 -0.91 -1.64 0.00 0.00 178.16 175.58 3hua h ASN 140 N 0.46 0.56 0.49 -2.11 4.21 -0.81 -1.20 115.58 117.19 3hua h ASN 140 Ca 0.12 -0.10 -0.30 0.00 1.21 0.00 0.00 56.30 57.23 3hua h ASN 140 Cb 0.21 -0.15 -0.00 0.00 -1.12 0.00 0.00 38.32 37.26 3hua h ASN 140 CO -0.01 0.61 -1.46 1.56 -1.29 0.00 0.00 177.43 176.84 3hua h GLN 141 N 0.58 0.26 -2.11 0.81 1.08 -0.83 -3.39 115.11 111.51 3hua h GLN 141 Ca 0.13 -0.45 -0.58 0.00 -1.45 0.00 0.00 58.65 56.30 3hua h GLN 141 Cb 0.31 0.17 -0.41 0.00 -0.05 0.00 0.00 27.48 27.50 3hua h GLN 141 CO 0.01 1.15 -0.82 0.25 -0.95 0.00 0.00 178.83 178.46 3hua n THR 142 N -3.48 1.12 -0.12 -0.54 -2.24 -0.51 -4.98 114.28 103.53 3hua n THR 142 Ca -0.14 -4.75 -0.08 0.00 -2.27 0.00 0.00 64.05 56.80 3hua n THR 142 Cb 1.04 -1.91 0.07 0.00 -2.10 0.00 0.00 70.33 67.43 3hua n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3hua h PRO 143 N 3.97 0.85 0.30 -0.78 0.13 -1.42 -0.02 132.00 135.04 3hua h PRO 143 Ca 0.14 -0.33 -0.01 0.00 -0.87 0.00 0.00 66.00 64.93 3hua h PRO 143 Cb 0.75 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 3hua h PRO 143 CO 0.68 0.97 -0.19 -0.44 -0.23 0.00 0.00 178.00 178.78 3hua h ASP 144 N 0.75 -0.48 -0.35 1.44 3.45 -1.94 0.14 116.42 119.44 3hua h ASP 144 Ca 0.11 0.03 -0.03 0.00 0.43 0.00 0.00 57.03 57.57 3hua h ASP 144 Cb 0.71 0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.61 3hua h ASP 144 CO 0.05 -0.30 0.10 -0.09 -1.57 0.00 0.00 179.24 177.43 3hua h ARG 145 N -0.48 0.55 -0.69 3.56 2.43 -1.95 -2.63 114.38 115.17 3hua h ARG 145 Ca -0.03 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 58.99 3hua h ARG 145 Cb 0.40 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 3hua h ARG 145 CO 0.03 0.58 0.32 0.00 -1.51 0.00 0.00 179.97 179.39 3hua h ALA 146 N 0.94 1.27 -0.79 2.80 0.00 -0.92 -1.39 119.26 121.17 3hua h ALA 146 Ca 0.11 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3hua h ALA 146 Cb 0.27 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3hua h ALA 146 CO -0.00 0.56 0.51 -0.22 0.00 0.00 0.00 179.25 180.09 3hua h LYS 147 N 0.97 0.96 -0.33 0.00 3.64 -0.76 0.25 116.57 121.30 3hua h LYS 147 Ca 0.24 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 3hua h LYS 147 Cb 0.11 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3hua h LYS 147 CO -0.03 0.64 0.13 0.00 -2.27 0.00 0.00 179.45 177.91 3hua h ARG 148 N 0.99 0.49 -0.46 1.90 3.08 -1.00 -0.32 114.38 119.05 3hua h ARG 148 Ca 0.31 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 60.22 3hua h ARG 148 Cb 0.00 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 3hua h ARG 148 CO -0.11 0.49 0.08 0.28 -1.07 0.00 0.00 179.97 179.64 3hua h VAL 149 N 0.38 1.25 -0.69 2.04 2.07 -0.91 -1.99 116.25 118.39 3hua h VAL 149 Ca 0.11 -0.90 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 3hua h VAL 149 Cb 0.19 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3hua h VAL 149 CO -0.01 0.32 0.29 0.40 0.02 0.00 0.00 177.57 178.59 3hua h ILE 150 N 0.62 1.24 -0.74 4.57 2.04 -0.44 -0.69 117.51 124.11 3hua h ILE 150 Ca 0.14 -0.74 0.01 0.00 1.00 0.00 0.00 64.86 65.27 3hua h ILE 150 Cb 0.38 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 3hua h ILE 150 CO 0.01 0.30 0.49 0.74 0.00 0.00 0.00 178.15 179.68 3hua h THR 151 N 0.98 1.17 -0.35 -0.27 2.02 -0.86 0.20 112.91 115.80 3hua h THR 151 Ca 0.23 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 67.04 3hua h THR 151 Cb 0.19 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 3hua h THR 151 CO -0.02 0.18 0.07 0.74 0.37 0.00 0.00 175.52 176.86 3hua h THR 152 N 0.98 1.23 -0.57 3.16 2.02 -0.71 -0.78 112.91 118.25 3hua h THR 152 Ca 0.27 -0.79 -0.03 0.00 0.77 0.00 0.00 66.41 66.63 3hua h THR 152 Cb -0.08 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 3hua h THR 152 CO -0.06 0.27 0.22 -0.26 0.37 0.00 0.00 175.52 176.06 3hua h PHE 153 N 0.41 0.82 -0.24 3.16 0.05 -0.55 -0.14 116.94 120.46 3hua h PHE 153 Ca 0.11 -0.04 -0.16 0.00 3.82 0.00 0.00 57.97 61.70 3hua h PHE 153 Cb 0.33 -0.25 0.00 0.00 2.00 0.00 0.00 35.95 38.02 3hua h PHE 153 CO 0.02 0.64 -0.47 -0.09 -0.18 0.00 0.00 178.31 178.23 3hua h ARG 154 N 0.81 0.74 0.00 1.51 2.43 -0.26 -3.38 114.38 116.23 3hua h ARG 154 Ca 0.19 -0.47 -0.05 0.00 -0.81 0.00 0.00 59.98 58.83 3hua h ARG 154 Cb 0.16 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3hua h ARG 154 CO -0.02 1.10 -1.76 0.25 -1.51 0.00 0.00 179.97 178.03 3hua n THR 155 N -4.14 0.20 -2.12 0.20 -2.24 -0.33 -4.76 114.28 101.09 3hua n THR 155 Ca -0.05 -0.41 -0.20 0.00 -2.27 0.00 0.00 64.05 61.12 3hua n THR 155 Cb 0.58 -0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.76 3hua n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hua n GLY 156 N 1.73 0.32 3.54 3.38 0.00 -0.07 -5.00 105.19 109.09 3hua n GLY 156 Ca -0.07 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 3hua n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hua s THR 157 N -2.92 1.52 -0.35 2.61 -4.23 -1.26 -4.79 115.64 106.22 3hua s THR 157 Ca 0.00 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.63 3hua s THR 157 Cb 0.00 -2.85 0.71 0.00 1.34 0.00 0.00 72.50 71.70 3hua s THR 157 CO 0.00 0.00 1.59 0.79 -0.54 0.00 0.00 174.62 176.46 3hua n TRP 158 N -0.83 1.86 -0.25 3.99 7.02 -1.26 -4.52 117.44 123.44 3hua n TRP 158 Ca -0.04 -0.68 0.15 0.00 -1.02 0.00 0.00 57.50 55.90 3hua n TRP 158 Cb 0.67 -0.48 0.44 0.00 -2.42 0.00 0.00 31.31 29.51 3hua n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3hua h ASP 159 N 3.33 0.54 0.77 -0.99 5.19 -1.96 0.74 116.42 124.04 3hua h ASP 159 Ca 0.03 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 3hua h ASP 159 Cb 1.83 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 41.28 3hua h ASP 159 CO 0.46 0.25 0.00 0.00 -3.12 0.00 0.00 179.24 176.83 3hua n ALA 160 N -2.47 2.07 0.00 3.45 0.00 -1.26 -4.02 120.51 118.29 3hua n ALA 160 Ca 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3hua n ALA 160 Cb 0.56 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3hua n ALA 160 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hua n TYR 161 N -1.48 0.00 0.24 0.00 4.02 -0.19 -4.81 117.16 114.94 3hua n TYR 161 Ca 0.06 0.00 0.17 0.00 -0.01 0.00 0.00 57.90 58.12 3hua n TYR 161 Cb 0.26 0.00 0.86 0.00 -0.02 0.00 0.00 39.34 40.45 3hua n TYR 161 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 3hua h LYS 162 N 0.00 0.00 0.00 -0.72 2.10 -1.07 -3.52 116.57 113.36 3hua h LYS 162 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3hua h LYS 162 Cb 0.92 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 3hua h LYS 162 CO 0.00 0.00 0.00 -1.71 -2.00 0.00 0.00 179.45 175.74