#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c8r s ASN 2 N 0.00 0.67 0.34 6.12 2.20 -1.26 -5.03 114.94 117.98 3c8r s ASN 2 Ca 0.00 -1.39 0.06 0.00 -0.94 0.00 0.00 52.86 50.60 3c8r s ASN 2 Cb 0.00 0.60 0.72 0.00 -2.00 0.00 0.00 41.25 40.57 3c8r s ASN 2 CO 0.00 -1.19 1.89 -0.29 -2.94 0.00 0.00 177.10 174.57 3c8r h ILE 3 N 2.21 0.92 -0.22 0.54 6.09 -1.97 0.21 117.51 125.28 3c8r h ILE 3 Ca -0.29 -0.27 -0.05 0.00 -1.37 0.00 0.00 64.86 62.88 3c8r h ILE 3 Cb 1.24 0.05 -0.01 0.00 0.47 0.00 0.00 36.82 38.58 3c8r h ILE 3 CO 0.40 0.15 -0.04 -0.26 -3.07 0.00 0.00 178.15 175.32 3c8r h PHE 4 N 0.80 0.47 -0.63 2.19 -1.00 -1.99 -1.19 116.94 115.59 3c8r h PHE 4 Ca 0.42 -0.10 -0.06 0.00 2.81 0.00 0.00 57.97 61.04 3c8r h PHE 4 Cb 0.51 -0.12 -0.03 0.00 3.61 0.00 0.00 35.95 39.93 3c8r h PHE 4 CO -0.00 0.65 0.15 0.93 -1.61 0.00 0.00 178.31 178.43 3c8r h GLU 5 N 0.16 1.00 0.17 1.51 5.08 -1.84 -1.25 114.58 119.42 3c8r h GLU 5 Ca 0.06 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3c8r h GLU 5 Cb 0.49 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 3c8r h GLU 5 CO 0.02 0.91 -0.11 1.98 -1.00 0.00 0.00 179.01 180.81 3c8r h MET 6 N 0.92 -0.26 0.00 2.33 4.05 -0.84 -1.92 114.93 119.21 3c8r h MET 6 Ca 0.20 0.02 -0.07 0.00 -0.28 0.00 0.00 59.70 59.56 3c8r h MET 6 Cb 0.36 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.20 3c8r h MET 6 CO 0.00 -0.17 -0.36 -0.07 0.23 0.00 0.00 176.91 176.54 3c8r h LEU 7 N -0.27 0.00 -1.05 3.39 3.38 -1.14 -1.79 115.31 117.82 3c8r h LEU 7 Ca -0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 3c8r h LEU 7 Cb 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3c8r h LEU 7 CO 0.01 0.36 0.00 -0.09 0.09 0.00 0.00 178.44 178.81 3c8r h ARG 8 N 0.00 0.67 -0.15 1.13 9.65 -0.88 0.67 114.38 125.48 3c8r h ARG 8 Ca -0.00 -0.16 -0.07 0.00 -1.10 0.00 0.00 59.98 58.64 3c8r h ARG 8 Cb 0.64 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 29.13 3c8r h ARG 8 CO 0.05 0.69 -0.17 0.82 2.80 0.00 0.00 179.97 184.15 3c8r h ILE 9 N 0.64 1.35 -0.14 1.20 2.04 -0.75 -0.99 117.51 120.85 3c8r h ILE 9 Ca 0.13 -1.36 -0.10 0.00 1.00 0.00 0.00 64.86 64.52 3c8r h ILE 9 Cb 0.40 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 3c8r h ILE 9 CO 0.01 0.40 -0.37 0.44 0.00 0.00 0.00 178.15 178.64 3c8r h ASP 10 N 0.00 0.32 0.00 1.72 3.32 -0.98 -3.32 116.42 117.48 3c8r h ASP 10 Ca 0.02 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.94 3c8r h ASP 10 Cb 0.72 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.18 3c8r h ASP 10 CO 0.04 0.67 -1.91 -0.62 -1.72 0.00 0.00 179.24 175.70 3c8r n GLU 11 N -4.05 0.61 -0.15 3.56 -0.58 0.20 -5.07 120.64 115.15 3c8r n GLU 11 Ca -0.01 -0.18 0.02 0.00 -0.42 0.00 0.00 57.16 56.57 3c8r n GLU 11 Cb 0.46 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 29.84 3c8r n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3c8r n GLY 12 N 1.34 -1.69 2.73 0.62 0.00 -0.38 -4.44 105.19 103.38 3c8r n GLY 12 Ca -0.04 -1.26 -0.19 0.00 0.00 0.00 0.00 46.02 44.54 3c8r n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3c8r s LEU 13 N 0.00 0.06 -0.06 0.99 2.96 -1.26 -4.35 118.68 117.01 3c8r s LEU 13 Ca 0.00 0.16 0.02 0.00 -0.22 0.00 0.00 54.13 54.08 3c8r s LEU 13 Cb 0.00 0.03 0.02 0.00 0.50 0.00 0.00 46.19 46.73 3c8r s LEU 13 CO 0.00 -0.25 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.55 3c8r s ARG 14 N 2.22 1.43 0.00 1.98 0.52 -0.72 -5.01 118.95 119.37 3c8r s ARG 14 Ca 0.04 -0.31 0.28 0.00 -0.52 0.00 0.00 55.73 55.22 3c8r s ARG 14 Cb -0.12 -1.25 0.97 0.00 0.52 0.00 0.00 34.95 35.06 3c8r s ARG 14 CO -0.04 -0.03 1.70 1.28 0.02 0.00 0.00 175.30 178.22 3c8r n LEU 15 N 3.98 1.46 -4.34 2.53 4.77 -1.26 0.16 117.00 124.29 3c8r n LEU 15 Ca -0.23 -0.47 -0.28 0.00 -0.03 0.00 0.00 56.01 55.00 3c8r n LEU 15 Cb 0.51 -0.02 -0.14 0.00 -2.33 0.00 0.00 43.42 41.44 3c8r n LEU 15 CO 0.24 0.25 -0.56 -0.54 -1.33 0.00 0.00 177.39 175.45 3c8r s LYS 16 N -2.09 1.53 0.18 3.23 1.02 -1.26 -1.48 119.74 120.87 3c8r s LYS 16 Ca 0.35 -1.16 -0.33 0.00 0.02 0.00 0.00 55.97 54.85 3c8r s LYS 16 Cb 0.21 -1.80 -0.14 0.00 -0.52 0.00 0.00 37.83 35.57 3c8r s LYS 16 CO 0.37 0.45 1.43 -0.89 -0.92 0.00 0.00 175.35 175.79 3c8r n ILE 17 N 1.45 0.47 -4.27 2.17 5.41 -0.89 -4.74 119.36 118.95 3c8r n ILE 17 Ca -0.18 -0.12 -0.16 0.00 1.00 0.00 0.00 62.75 63.30 3c8r n ILE 17 Cb 0.53 -1.34 -0.09 0.00 -0.71 0.00 0.00 39.64 38.02 3c8r n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 3c8r s TYR 18 N 0.35 1.47 -0.11 1.39 -0.85 0.23 -4.96 117.35 114.87 3c8r s TYR 18 Ca 0.75 -1.43 -0.04 0.00 -0.52 0.00 0.00 57.07 55.83 3c8r s TYR 18 Cb -0.72 -0.72 -0.04 0.00 0.38 0.00 0.00 41.96 40.86 3c8r s TYR 18 CO 0.45 -0.63 0.05 0.15 -1.52 0.00 0.00 175.55 174.05 3c8r s LYS 19 N -3.88 3.26 0.47 -3.49 1.02 -1.26 0.44 119.74 116.31 3c8r s LYS 19 Ca 0.38 -0.31 -0.07 0.00 0.02 0.00 0.00 55.97 55.99 3c8r s LYS 19 Cb 0.05 -2.97 0.11 0.00 -0.52 0.00 0.00 37.83 34.50 3c8r s LYS 19 CO 0.17 0.67 0.65 -0.40 -0.92 0.00 0.00 175.35 175.52 3c8r n ASP 20 N 2.28 0.13 0.27 2.83 3.85 0.88 -4.82 116.55 121.97 3c8r n ASP 20 Ca -0.19 -1.28 0.17 0.00 -0.71 0.00 0.00 54.79 52.78 3c8r n ASP 20 Cb 0.54 -0.49 0.92 0.00 -1.35 0.00 0.00 41.12 40.74 3c8r n ASP 20 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 3c8r h THR 21 N -1.27 0.41 -0.02 2.12 1.35 -1.99 -0.24 112.91 113.27 3c8r h THR 21 Ca -0.21 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 3c8r h THR 21 Cb 0.60 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 3c8r h THR 21 CO 0.16 0.00 -0.02 1.21 -0.25 0.00 0.00 175.52 176.61 3c8r n GLU 22 N -3.69 1.83 -0.55 4.72 4.07 -1.26 -4.94 120.64 120.81 3c8r n GLU 22 Ca -0.01 -1.25 0.00 0.00 -0.06 0.00 0.00 57.16 55.84 3c8r n GLU 22 Cb 0.19 -1.47 0.00 0.00 -0.06 0.00 0.00 31.44 30.10 3c8r n GLU 22 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3c8r n GLY 23 N 1.24 0.71 3.86 8.31 0.00 -0.10 -5.06 105.19 114.15 3c8r n GLY 23 Ca 0.17 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 3c8r n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3c8r s TYR 24 N -2.00 3.59 0.05 1.61 4.12 -1.26 -4.70 117.35 118.76 3c8r s TYR 24 Ca 0.00 0.83 -0.30 0.00 0.02 0.00 0.00 57.07 57.62 3c8r s TYR 24 Cb 0.00 -2.19 -0.08 0.00 -1.52 0.00 0.00 41.96 38.17 3c8r s TYR 24 CO 0.00 0.51 1.69 0.71 0.02 0.00 0.00 175.55 178.48 3c8r s TYR 25 N -1.39 2.24 0.09 2.71 1.51 -1.19 -0.09 117.35 121.23 3c8r s TYR 25 Ca 0.33 0.22 -0.01 0.00 -1.01 0.00 0.00 57.07 56.60 3c8r s TYR 25 Cb -0.14 -3.99 -0.04 0.00 -0.11 0.00 0.00 41.96 37.68 3c8r s TYR 25 CO 0.18 -4.05 0.03 0.99 -1.11 0.00 0.00 175.55 171.59 3c8r s THR 26 N 3.03 0.16 0.19 -0.71 2.01 0.17 -0.49 115.64 120.00 3c8r s THR 26 Ca 0.75 -1.83 -0.14 0.00 0.31 0.00 0.00 61.69 60.78 3c8r s THR 26 Cb -0.39 -1.78 0.01 0.00 0.01 0.00 0.00 72.50 70.34 3c8r s THR 26 CO 0.33 -0.70 0.43 -0.51 -0.69 0.00 0.00 174.62 173.47 3c8r s ILE 27 N -3.98 0.04 0.00 1.82 2.07 -0.58 -0.60 121.20 119.96 3c8r s ILE 27 Ca 0.16 -1.06 0.00 0.00 -1.41 0.00 0.00 60.65 58.33 3c8r s ILE 27 Cb 0.08 -1.72 0.00 0.00 0.13 0.00 0.00 42.46 40.94 3c8r s ILE 27 CO -0.04 -0.18 0.00 0.61 -1.91 0.00 0.00 174.94 173.42 3c8r n GLY 28 N -0.29 3.16 3.00 1.50 0.00 0.12 -1.17 105.19 111.51 3c8r n GLY 28 Ca -0.08 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 3c8r n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3c8r n ILE 29 N 0.00 4.64 -2.08 -0.61 5.41 -1.26 -1.76 119.36 123.70 3c8r n ILE 29 Ca 0.00 -5.68 -0.13 0.00 1.00 0.00 0.00 62.75 57.94 3c8r n ILE 29 Cb 0.00 -2.20 -0.01 0.00 -0.71 0.00 0.00 39.64 36.72 3c8r n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3c8r n GLY 30 N 1.59 0.12 3.49 7.39 0.00 -1.24 -4.91 105.19 111.64 3c8r n GLY 30 Ca 0.26 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 3c8r n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3c8r s HIS 31 N -2.60 2.67 0.18 1.61 5.04 -0.32 -4.91 115.29 116.97 3c8r s HIS 31 Ca 0.00 -0.27 -0.31 0.00 -1.54 0.00 0.00 55.06 52.94 3c8r s HIS 31 Cb 0.00 -4.25 -0.10 0.00 0.04 0.00 0.00 32.58 28.27 3c8r s HIS 31 CO 0.00 -1.58 1.53 -1.17 -2.34 0.00 0.00 174.74 171.18 3c8r s LEU 32 N 4.23 4.37 -0.23 8.88 1.98 -1.26 -1.53 118.68 135.12 3c8r s LEU 32 Ca 0.27 2.62 -0.09 0.00 -2.89 0.00 0.00 54.13 54.04 3c8r s LEU 32 Cb -0.14 -3.60 -0.18 0.00 0.66 0.00 0.00 46.19 42.93 3c8r s LEU 32 CO 0.14 -0.79 -0.06 0.18 -1.89 0.00 0.00 176.35 173.93 3c8r n LEU 33 N 3.59 2.41 -3.55 -0.68 4.77 0.36 -4.94 117.00 118.97 3c8r n LEU 33 Ca 0.12 0.17 -0.09 0.00 -0.03 0.00 0.00 56.01 56.19 3c8r n LEU 33 Cb 0.39 -0.94 -0.03 0.00 -2.33 0.00 0.00 43.42 40.51 3c8r n LEU 33 CO 0.61 0.70 0.77 0.28 -1.33 0.00 0.00 177.39 178.41 3c8r s THR 34 N -2.50 0.00 -2.62 -5.08 -1.32 -1.18 -4.92 115.64 98.03 3c8r s THR 34 Ca -0.32 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.41 3c8r s THR 34 Cb 0.10 -1.00 0.26 0.00 -1.51 0.00 0.00 72.50 70.34 3c8r s THR 34 CO 0.60 0.00 1.38 0.29 -2.21 0.00 0.00 174.62 174.68 3c8r n LYS 35 N 0.20 1.86 -2.62 7.08 5.02 -1.26 -3.19 118.16 125.25 3c8r n LYS 35 Ca -0.08 -1.42 -0.37 0.00 -2.02 0.00 0.00 58.31 54.41 3c8r n LYS 35 Cb 0.60 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 34.09 3c8r n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3c8r s SER 36 N -2.12 7.09 0.00 4.39 0.15 -1.26 -4.93 113.70 117.02 3c8r s SER 36 Ca 0.29 2.00 0.21 0.00 0.70 0.00 0.00 55.95 59.15 3c8r s SER 36 Cb 0.20 -2.59 1.17 0.00 -1.71 0.00 0.00 66.02 63.08 3c8r s SER 36 CO 0.37 -0.25 1.64 -0.81 1.20 0.00 0.00 173.24 175.38 3c8r n PRO 37 N 0.44 0.52 -2.82 5.44 -0.04 -1.26 -4.73 135.00 132.54 3c8r n PRO 37 Ca 0.03 0.04 -0.43 0.00 -0.04 0.00 0.00 63.50 63.10 3c8r n PRO 37 Cb 0.49 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.41 3c8r n PRO 37 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3c8r s SER 38 N -2.22 6.61 0.48 3.54 0.15 -1.26 -4.89 113.70 116.11 3c8r s SER 38 Ca 0.27 0.43 0.14 0.00 0.70 0.00 0.00 55.95 57.48 3c8r s SER 38 Cb 0.14 -2.46 1.12 0.00 -1.71 0.00 0.00 66.02 63.11 3c8r s SER 38 CO 0.27 -0.91 2.08 0.25 1.20 0.00 0.00 173.24 176.13 3c8r h LEU 39 N 10.20 0.07 -0.48 3.45 5.85 -2.00 -0.24 115.31 132.17 3c8r h LEU 39 Ca -0.24 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.42 3c8r h LEU 39 Cb 1.08 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 3c8r h LEU 39 CO 0.99 0.12 0.08 0.78 -0.34 0.00 0.00 178.44 180.07 3c8r h ASN 40 N 0.08 0.77 -0.53 1.25 4.21 -1.97 -0.11 115.58 119.27 3c8r h ASN 40 Ca 0.02 -0.26 0.01 0.00 1.21 0.00 0.00 56.30 57.28 3c8r h ASN 40 Cb 0.11 -0.20 -0.03 0.00 -1.12 0.00 0.00 38.32 37.08 3c8r h ASN 40 CO 0.00 0.83 0.35 0.00 -1.29 0.00 0.00 177.43 177.32 3c8r h ALA 41 N 0.96 0.67 -0.79 -0.83 0.00 -1.48 -0.65 119.26 117.15 3c8r h ALA 41 Ca 0.15 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3c8r h ALA 41 Cb 0.39 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3c8r h ALA 41 CO 0.01 0.10 0.52 0.00 0.00 0.00 0.00 179.25 179.88 3c8r h ALA 42 N 1.20 1.02 -0.59 0.00 0.00 -0.80 -0.19 119.26 119.90 3c8r h ALA 42 Ca 0.20 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3c8r h ALA 42 Cb -0.07 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 3c8r h ALA 42 CO -0.05 0.38 0.28 0.87 0.00 0.00 0.00 179.25 180.73 3c8r h LYS 43 N 1.04 0.86 -0.25 0.00 1.57 -0.39 0.40 116.57 119.80 3c8r h LYS 43 Ca 0.30 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 3c8r h LYS 43 Cb -0.07 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 3c8r h LYS 43 CO -0.08 0.70 0.08 1.03 -0.57 0.00 0.00 179.45 180.61 3c8r h SER 44 N 0.81 0.35 -0.58 0.86 0.87 -0.66 -1.29 113.55 113.91 3c8r h SER 44 Ca 0.20 -0.19 0.06 0.00 -1.23 0.00 0.00 61.79 60.63 3c8r h SER 44 Cb 0.13 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 61.95 3c8r h SER 44 CO -0.02 0.45 0.29 -0.33 -0.53 0.00 0.00 176.83 176.69 3c8r h GLU 45 N 0.24 0.53 -0.01 2.24 4.39 -0.69 -1.03 114.58 120.24 3c8r h GLU 45 Ca 0.08 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.77 3c8r h GLU 45 Cb 0.22 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 3c8r h GLU 45 CO -0.00 0.35 -0.11 1.25 -1.16 0.00 0.00 179.01 179.33 3c8r h LEU 46 N 0.54 -0.33 -1.08 1.33 5.85 -0.48 -0.10 115.31 121.04 3c8r h LEU 46 Ca 0.27 0.05 0.06 0.00 0.84 0.00 0.00 57.88 59.10 3c8r h LEU 46 Cb 0.20 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 3c8r h LEU 46 CO -0.20 -0.16 0.62 0.44 -0.34 0.00 0.00 178.44 178.80 3c8r h ASP 47 N -0.19 0.97 -0.60 1.25 3.32 -0.73 -0.74 116.42 119.70 3c8r h ASP 47 Ca 0.05 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 3c8r h ASP 47 Cb 0.25 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3c8r h ASP 47 CO -0.12 0.62 0.03 0.50 -1.72 0.00 0.00 179.24 178.56 3c8r h LYS 48 N 1.10 1.05 -0.41 3.56 3.64 -0.74 0.26 116.57 125.03 3c8r h LYS 48 Ca 0.41 -0.31 -0.12 0.00 -1.27 0.00 0.00 60.65 59.36 3c8r h LYS 48 Cb 0.18 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3c8r h LYS 48 CO -0.16 1.00 -0.21 0.00 -2.27 0.00 0.00 179.45 177.81 3c8r h ALA 49 N 1.06 0.57 0.03 5.00 0.00 0.10 -3.30 119.26 122.73 3c8r h ALA 49 Ca 0.18 -0.38 -0.28 0.00 0.00 0.00 0.00 54.91 54.43 3c8r h ALA 49 Cb 0.51 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3c8r h ALA 49 CO 0.02 0.55 -1.49 0.82 0.00 0.00 0.00 179.25 179.15 3c8r h ILE 50 N 0.68 1.14 0.00 0.00 1.08 -1.16 -3.49 117.51 115.76 3c8r h ILE 50 Ca 0.09 -2.90 0.00 0.00 -0.39 0.00 0.00 64.86 61.66 3c8r h ILE 50 Cb 0.78 2.61 0.00 0.00 -3.07 0.00 0.00 36.82 37.14 3c8r h ILE 50 CO 0.06 0.71 0.00 0.61 -0.69 0.00 0.00 178.15 178.85 3c8r n GLY 51 N 1.55 1.02 3.72 5.37 0.00 0.89 -5.07 105.19 112.68 3c8r n GLY 51 Ca -0.13 -0.45 -0.06 0.00 0.00 0.00 0.00 46.02 45.38 3c8r n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3c8r s ARG 52 N -1.77 1.35 -0.43 1.61 1.70 -1.09 -5.06 118.95 115.27 3c8r s ARG 52 Ca 0.00 -0.70 -0.26 0.00 -0.47 0.00 0.00 55.73 54.29 3c8r s ARG 52 Cb 0.00 0.49 0.02 0.00 -0.57 0.00 0.00 34.95 34.89 3c8r s ARG 52 CO 0.00 -0.62 0.97 -0.80 -1.08 0.00 0.00 175.30 173.78 3c8r s ASN 53 N -2.86 6.60 0.07 -2.89 -0.87 -1.26 -4.34 114.94 109.38 3c8r s ASN 53 Ca 0.10 0.37 0.22 0.00 -1.57 0.00 0.00 52.86 51.98 3c8r s ASN 53 Cb -0.03 -2.48 -0.14 0.00 -0.02 0.00 0.00 41.25 38.58 3c8r s ASN 53 CO 0.01 -1.02 0.80 0.00 -2.57 0.00 0.00 177.10 174.32 3c8r n ASN 55 N -2.31 -6.17 0.00 0.00 5.15 -1.26 -2.02 115.26 108.65 3c8r n ASN 55 Ca -0.01 -0.38 0.00 0.00 -0.60 0.00 0.00 54.58 53.58 3c8r n ASN 55 Cb 0.53 -4.94 0.00 0.00 -0.53 0.00 0.00 39.78 34.84 3c8r n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3c8r n GLY 56 N -1.69 0.34 3.02 8.20 0.00 -1.26 -5.00 105.19 108.80 3c8r n GLY 56 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 3c8r n GLY 56 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3c8r s VAL 57 N -1.81 0.54 0.27 1.61 -7.23 -0.86 -2.08 120.40 110.84 3c8r s VAL 57 Ca 0.00 -0.68 0.02 0.00 -1.81 0.00 0.00 61.98 59.51 3c8r s VAL 57 Cb 0.00 -0.53 -0.05 0.00 0.56 0.00 0.00 36.38 36.36 3c8r s VAL 57 CO 0.00 -0.12 0.06 0.27 -0.31 0.00 0.00 175.10 175.00 3c8r s ILE 58 N -0.76 0.83 0.51 -0.62 -4.36 -0.55 -4.73 121.20 111.52 3c8r s ILE 58 Ca -0.03 -2.01 -0.02 0.00 -0.26 0.00 0.00 60.65 58.33 3c8r s ILE 58 Cb -0.06 -2.59 0.00 0.00 1.25 0.00 0.00 42.46 41.06 3c8r s ILE 58 CO 0.00 -0.09 0.76 0.42 0.24 0.00 0.00 174.94 176.27 3c8r s THR 59 N -3.56 3.74 0.33 8.37 -4.23 -1.26 -4.79 115.64 114.25 3c8r s THR 59 Ca 0.35 -0.34 0.02 0.00 -1.18 0.00 0.00 61.69 60.54 3c8r s THR 59 Cb 0.08 -3.42 0.21 0.00 1.34 0.00 0.00 72.50 70.70 3c8r s THR 59 CO 0.13 -0.34 1.93 0.50 -0.54 0.00 0.00 174.62 176.29 3c8r h LYS 60 N 0.17 0.71 -0.62 3.99 3.64 -1.99 -0.73 116.57 121.75 3c8r h LYS 60 Ca -0.45 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 58.76 3c8r h LYS 60 Cb 1.26 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 3c8r h LYS 60 CO 0.58 0.58 0.13 -0.44 -2.27 0.00 0.00 179.45 178.03 3c8r h ASP 61 N 0.71 0.96 -0.52 4.20 3.45 -1.98 0.21 116.42 123.44 3c8r h ASP 61 Ca 0.17 -0.25 -0.06 0.00 0.43 0.00 0.00 57.03 57.32 3c8r h ASP 61 Cb 0.13 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.62 3c8r h ASP 61 CO -0.02 0.96 0.08 -0.33 -1.57 0.00 0.00 179.24 178.36 3c8r h GLU 62 N 0.92 0.86 -0.89 3.56 5.08 -1.74 -0.23 114.58 122.13 3c8r h GLU 62 Ca 0.19 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3c8r h GLU 62 Cb 0.39 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 3c8r h GLU 62 CO 0.01 0.85 0.52 0.00 -1.00 0.00 0.00 179.01 179.38 3c8r h ALA 63 N 0.98 1.14 -0.23 3.43 0.00 -0.83 -1.45 119.26 122.31 3c8r h ALA 63 Ca 0.16 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3c8r h ALA 63 Cb 0.41 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3c8r h ALA 63 CO 0.01 0.62 -0.28 0.93 0.00 0.00 0.00 179.25 180.54 3c8r h GLU 64 N 1.24 0.44 -0.26 0.00 5.08 -0.58 -0.76 114.58 119.74 3c8r h GLU 64 Ca 0.32 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 3c8r h GLU 64 Cb -0.02 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3c8r h GLU 64 CO -0.06 0.69 0.03 -0.22 -1.00 0.00 0.00 179.01 178.45 3c8r h LYS 65 N 0.39 0.43 -0.92 2.33 3.64 -0.33 -1.39 116.57 120.73 3c8r h LYS 65 Ca 0.05 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3c8r h LYS 65 Cb 0.69 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.42 3c8r h LYS 65 CO 0.05 0.57 0.52 -0.07 -2.27 0.00 0.00 179.45 178.26 3c8r h LEU 66 N 0.23 1.13 -0.15 5.20 3.38 -1.07 -2.45 115.31 121.58 3c8r h LEU 66 Ca 0.08 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3c8r h LEU 66 Cb 0.36 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3c8r h LEU 66 CO 0.01 0.89 0.09 0.15 0.09 0.00 0.00 178.44 179.66 3c8r h PHE 67 N 1.28 0.17 -0.96 1.13 -0.00 -0.84 0.64 116.94 118.36 3c8r h PHE 67 Ca 0.33 0.01 0.01 0.00 -0.00 0.00 0.00 57.97 58.31 3c8r h PHE 67 Cb -0.01 -0.05 -0.05 0.00 -0.00 0.00 0.00 35.95 35.84 3c8r h PHE 67 CO 0.01 0.10 0.64 -0.91 -0.00 0.00 0.00 178.31 178.15 3c8r h ASN 68 N 0.18 1.11 -0.61 0.41 2.35 -1.01 -0.37 115.58 117.64 3c8r h ASN 68 Ca 0.06 -0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.69 3c8r h ASN 68 Cb -0.01 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.06 3c8r h ASN 68 CO -0.02 0.80 0.06 1.56 -1.65 0.00 0.00 177.43 178.18 3c8r h GLN 69 N 1.31 1.05 -0.39 0.81 4.20 -1.10 -0.45 115.11 120.54 3c8r h GLN 69 Ca 0.35 -0.29 -0.11 0.00 0.06 0.00 0.00 58.65 58.66 3c8r h GLN 69 Cb -0.15 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.50 3c8r h GLN 69 CO -0.08 0.99 -0.20 -0.44 -0.67 0.00 0.00 178.83 178.43 3c8r h ASP 70 N 0.97 0.76 -0.31 1.46 3.32 -0.04 -1.34 116.42 121.24 3c8r h ASP 70 Ca 0.19 -0.26 -0.14 0.00 0.02 0.00 0.00 57.03 56.83 3c8r h ASP 70 Cb 0.48 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 3c8r h ASP 70 CO 0.02 0.95 -0.37 0.58 -1.72 0.00 0.00 179.24 178.70 3c8r h VAL 71 N 0.66 1.29 -0.41 -1.35 2.07 -0.92 -1.70 116.25 115.89 3c8r h VAL 71 Ca 0.10 -1.54 0.05 0.00 0.82 0.00 0.00 66.70 66.12 3c8r h VAL 71 Cb 0.70 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 3c8r h VAL 71 CO 0.05 0.50 0.14 -0.78 0.02 0.00 0.00 177.57 177.50 3c8r h ASP 72 N 0.57 0.14 -0.84 0.57 1.82 -0.88 -0.92 116.42 116.87 3c8r h ASP 72 Ca 0.04 0.05 -0.03 0.00 -0.39 0.00 0.00 57.03 56.70 3c8r h ASP 72 Cb 0.95 0.04 -0.04 0.00 0.68 0.00 0.00 39.33 40.96 3c8r h ASP 72 CO 0.09 0.11 0.41 0.00 -1.61 0.00 0.00 179.24 178.24 3c8r h ALA 73 N 1.27 1.14 -0.26 -0.78 0.00 -1.11 0.17 119.26 119.69 3c8r h ALA 73 Ca 0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3c8r h ALA 73 Cb 0.18 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3c8r h ALA 73 CO -0.20 0.66 0.12 0.00 0.00 0.00 0.00 179.25 179.82 3c8r h ALA 74 N 1.25 0.34 -0.33 0.00 0.00 -0.67 -0.02 119.26 119.84 3c8r h ALA 74 Ca 0.29 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3c8r h ALA 74 Cb 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3c8r h ALA 74 CO -0.04 -0.08 0.13 0.28 0.00 0.00 0.00 179.25 179.54 3c8r h VAL 75 N 0.28 1.18 -0.34 0.00 2.07 -0.84 -1.78 116.25 116.83 3c8r h VAL 75 Ca 0.09 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 3c8r h VAL 75 Cb 0.15 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3c8r h VAL 75 CO -0.01 0.19 0.06 0.03 0.02 0.00 0.00 177.57 177.86 3c8r h ARG 76 N 0.38 0.49 -0.57 1.57 3.08 -0.87 -0.59 114.38 117.88 3c8r h ARG 76 Ca 0.11 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 3c8r h ARG 76 Cb 0.18 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 3c8r h ARG 76 CO -0.01 0.48 0.28 0.78 -1.07 0.00 0.00 179.97 180.43 3c8r h GLY 77 N 0.74 0.87 0.87 0.04 0.00 -0.49 -1.07 103.07 104.04 3c8r h GLY 77 Ca 0.11 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 3c8r h GLY 77 CO -0.00 0.41 0.00 -2.22 0.00 0.00 0.00 176.54 174.73 3c8r h ILE 78 N 0.77 1.11 0.00 2.60 2.04 -0.63 -1.81 117.51 121.58 3c8r h ILE 78 Ca 0.20 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 3c8r h ILE 78 Cb 0.11 1.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3c8r h ILE 78 CO -0.03 0.08 -0.07 -0.07 0.00 0.00 0.00 178.15 178.07 3c8r h LEU 79 N -0.12 0.00 0.00 1.44 3.38 -0.80 -2.46 115.31 116.75 3c8r h LEU 79 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3c8r h LEU 79 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3c8r h LEU 79 CO -0.00 0.07 -1.02 0.03 0.09 0.00 0.00 178.44 177.61 3c8r h ARG 80 N 0.00 0.00 -6.29 1.13 3.08 -1.06 -3.45 114.38 107.79 3c8r h ARG 80 Ca -0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 3c8r h ARG 80 Cb 0.14 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 3c8r h ARG 80 CO 0.01 0.15 0.61 1.21 -1.07 0.00 0.00 179.97 180.89 3c8r s ASN 81 N -5.70 7.17 0.55 7.04 3.84 -0.69 -4.93 114.94 122.22 3c8r s ASN 81 Ca -0.00 1.66 0.29 0.00 0.21 0.00 0.00 52.86 55.02 3c8r s ASN 81 Cb 0.09 -2.56 1.63 0.00 -0.55 0.00 0.00 41.25 39.86 3c8r s ASN 81 CO 0.78 -0.49 2.15 0.00 -2.79 0.00 0.00 177.10 176.75 3c8r h ALA 82 N 7.22 1.36 0.01 1.71 0.00 -1.90 -0.95 119.26 126.72 3c8r h ALA 82 Ca -0.33 -0.06 -0.32 0.00 0.00 0.00 0.00 54.91 54.20 3c8r h ALA 82 Cb 1.16 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 3c8r h ALA 82 CO 0.86 0.09 -1.88 1.63 0.00 0.00 0.00 179.25 179.94 3c8r n LYS 83 N -3.69 0.65 0.04 0.00 4.01 -1.26 -4.50 118.16 113.41 3c8r n LYS 83 Ca -0.02 0.23 -0.20 0.00 -0.51 0.00 0.00 58.31 57.81 3c8r n LYS 83 Cb 0.17 -1.73 -0.14 0.00 -0.51 0.00 0.00 35.03 32.82 3c8r n LYS 83 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 3c8r h LEU 84 N 0.01 0.44 -0.54 -0.35 3.38 -1.75 -3.37 115.31 113.11 3c8r h LEU 84 Ca -0.36 -0.94 0.11 0.00 0.09 0.00 0.00 57.88 56.78 3c8r h LEU 84 Cb 2.06 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 42.57 3c8r h LEU 84 CO 0.07 1.41 -0.04 0.50 0.09 0.00 0.00 178.44 180.47 3c8r h LYS 85 N -0.39 0.08 -0.48 1.13 3.64 -1.02 -0.42 116.57 119.11 3c8r h LYS 85 Ca -0.16 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.19 3c8r h LYS 85 Cb 1.63 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.41 3c8r h LYS 85 CO 0.13 0.05 0.20 -1.35 -2.27 0.00 0.00 179.45 176.22 3c8r h PRO 86 N 0.08 0.68 -0.04 1.90 0.11 -1.80 0.11 132.00 133.04 3c8r h PRO 86 Ca 0.27 -0.09 -0.03 0.00 0.11 0.00 0.00 66.00 66.27 3c8r h PRO 86 Cb 0.42 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.41 3c8r h PRO 86 CO -0.49 0.55 -0.08 0.28 -0.21 0.00 0.00 178.00 178.06 3c8r h VAL 87 N 0.68 1.43 -0.49 3.15 2.07 -1.52 -2.66 116.25 118.90 3c8r h VAL 87 Ca 0.17 -1.38 0.07 0.00 0.82 0.00 0.00 66.70 66.37 3c8r h VAL 87 Cb 0.12 2.25 -0.06 0.00 -1.52 0.00 0.00 31.29 32.08 3c8r h VAL 87 CO -0.02 0.38 0.17 0.22 0.02 0.00 0.00 177.57 178.34 3c8r h TYR 88 N -0.39 0.30 0.00 1.57 5.03 -0.75 -0.41 116.97 122.32 3c8r h TYR 88 Ca 0.00 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.32 3c8r h TYR 88 Cb 0.65 -0.06 -0.00 0.00 1.55 0.00 0.00 36.73 38.86 3c8r h TYR 88 CO 0.12 0.10 -0.07 -0.44 -1.32 0.00 0.00 178.16 176.55 3c8r h ASP 89 N 0.35 0.00 1.26 -2.11 3.45 -0.81 -2.63 116.42 115.93 3c8r h ASP 89 Ca 0.24 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.70 3c8r h ASP 89 Cb 0.25 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.02 3c8r h ASP 89 CO -0.24 0.07 -0.22 -1.54 -1.57 0.00 0.00 179.24 175.74 3c8r n SER 90 N -3.34 0.77 -4.89 6.45 3.41 -0.19 -4.91 113.62 110.92 3c8r n SER 90 Ca -0.01 0.41 -0.31 0.00 -0.26 0.00 0.00 58.87 58.71 3c8r n SER 90 Cb 0.23 -0.46 -0.04 0.00 -0.26 0.00 0.00 64.21 63.68 3c8r n SER 90 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3c8r s LEU 91 N -4.40 4.10 0.92 1.04 1.43 -0.99 -5.06 118.68 115.72 3c8r s LEU 91 Ca 0.09 0.86 -0.12 0.00 -1.03 0.00 0.00 54.13 53.93 3c8r s LEU 91 Cb 0.13 -3.65 0.14 0.00 0.03 0.00 0.00 46.19 42.84 3c8r s LEU 91 CO 0.64 -0.14 1.09 1.51 0.23 0.00 0.00 176.35 179.68 3c8r s ASP 92 N -2.70 3.32 0.27 2.29 1.47 -1.26 -4.74 116.67 115.32 3c8r s ASP 92 Ca 0.46 1.37 -0.01 0.00 1.18 0.00 0.00 52.55 55.55 3c8r s ASP 92 Cb -0.11 -2.05 0.46 0.00 -0.34 0.00 0.00 42.92 40.88 3c8r s ASP 92 CO 0.25 -2.72 1.85 0.00 0.68 0.00 0.00 175.17 175.23 3c8r h ALA 93 N -1.61 1.40 0.10 2.11 0.00 -1.98 -1.24 119.26 118.05 3c8r h ALA 93 Ca -0.51 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 3c8r h ALA 93 Cb 1.30 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3c8r h ALA 93 CO 0.56 0.28 -0.05 0.28 0.00 0.00 0.00 179.25 180.32 3c8r h VAL 94 N 1.02 1.07 -0.19 0.00 2.07 -1.92 -2.76 116.25 115.54 3c8r h VAL 94 Ca 0.45 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 3c8r h VAL 94 Cb 0.34 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 3c8r h VAL 94 CO -0.23 0.17 -0.00 0.03 0.02 0.00 0.00 177.57 177.56 3c8r h ARG 95 N -0.46 0.28 -0.66 1.57 3.08 -1.79 -1.16 114.38 115.24 3c8r h ARG 95 Ca -0.01 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.01 3c8r h ARG 95 Cb 0.38 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 3c8r h ARG 95 CO 0.02 0.31 0.43 0.78 -1.07 0.00 0.00 179.97 180.45 3c8r h GLY 96 N 0.56 0.91 1.57 0.04 0.00 -1.04 -0.40 103.07 104.71 3c8r h GLY 96 Ca 0.07 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 3c8r h GLY 96 CO 0.00 0.32 0.07 0.00 0.00 0.00 0.00 176.54 176.93 3c8r h ALA 98 N 1.55 1.09 -0.40 0.00 0.00 -0.99 0.32 119.26 120.83 3c8r h ALA 98 Ca 0.12 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 3c8r h ALA 98 Cb 0.24 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3c8r h ALA 98 CO -0.00 0.58 -0.31 1.25 0.00 0.00 0.00 179.25 180.77 3c8r h LEU 99 N 0.74 0.96 -0.75 0.00 5.85 -1.00 -2.19 115.31 118.92 3c8r h LEU 99 Ca 0.14 -0.44 -0.04 0.00 0.84 0.00 0.00 57.88 58.38 3c8r h LEU 99 Cb 0.47 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3c8r h LEU 99 CO 0.02 1.20 0.32 0.40 -0.34 0.00 0.00 178.44 180.04 3c8r h ILE 100 N 0.73 1.25 -0.26 4.05 2.04 -0.75 -2.06 117.51 122.51 3c8r h ILE 100 Ca 0.07 -0.76 0.05 0.00 1.00 0.00 0.00 64.86 65.22 3c8r h ILE 100 Cb 0.90 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 37.29 3c8r h ILE 100 CO 0.08 0.31 -0.07 -1.13 0.00 0.00 0.00 178.15 177.34 3c8r h ASN 101 N 1.07 -0.26 -0.49 1.72 -0.73 -0.72 -0.37 115.58 115.80 3c8r h ASN 101 Ca 0.25 0.08 0.03 0.00 1.87 0.00 0.00 56.30 58.53 3c8r h ASN 101 Cb 0.19 0.17 -0.04 0.00 0.27 0.00 0.00 38.32 38.91 3c8r h ASN 101 CO -0.02 -0.09 0.28 0.24 -0.37 0.00 0.00 177.43 177.47 3c8r h MET 102 N -0.01 0.55 -0.55 6.67 2.86 -1.06 -1.78 114.93 121.60 3c8r h MET 102 Ca 0.12 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 3c8r h MET 102 Cb 0.20 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 3c8r h MET 102 CO -0.27 0.36 0.18 0.28 1.06 0.00 0.00 176.91 178.52 3c8r h VAL 103 N 0.56 1.21 -0.50 -2.22 2.07 -0.73 0.30 116.25 116.94 3c8r h VAL 103 Ca 0.20 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 3c8r h VAL 103 Cb 0.05 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 3c8r h VAL 103 CO -0.11 0.28 0.21 0.15 0.02 0.00 0.00 177.57 178.12 3c8r h PHE 104 N 0.80 0.76 -0.01 1.57 3.04 -0.72 0.46 116.94 122.84 3c8r h PHE 104 Ca 0.19 -0.06 -0.01 0.00 3.98 0.00 0.00 57.97 62.07 3c8r h PHE 104 Cb 0.22 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 38.51 3c8r h PHE 104 CO 0.01 0.63 -0.04 0.37 -2.02 0.00 0.00 178.31 177.26 3c8r h GLN 105 N 0.67 0.05 -0.01 1.11 4.15 -0.75 -3.39 115.11 116.95 3c8r h GLN 105 Ca 0.17 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.55 3c8r h GLN 105 Cb 0.19 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.88 3c8r h GLN 105 CO -0.01 0.68 -0.21 0.00 -1.93 0.00 0.00 178.83 177.35 3c8r n MET 106 N -4.73 1.73 0.00 1.69 0.00 0.10 -5.11 117.12 110.80 3c8r n MET 106 Ca -0.09 -0.79 0.00 0.00 0.00 0.00 0.00 57.70 56.83 3c8r n MET 106 Cb 0.35 -1.17 0.00 0.00 0.00 0.00 0.00 33.22 32.39 3c8r n MET 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3c8r n GLY 107 N 0.95 -0.65 0.14 3.17 0.00 0.16 -4.00 105.19 104.96 3c8r n GLY 107 Ca 0.06 -1.54 -0.06 0.00 0.00 0.00 0.00 46.02 44.47 3c8r n GLY 107 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3c8r h GLU 108 N 0.00 0.04 -0.63 1.61 4.81 -1.93 -1.73 114.58 116.75 3c8r h GLU 108 Ca 0.00 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3c8r h GLU 108 Cb 0.00 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 3c8r h GLU 108 CO 0.00 0.03 0.39 1.15 -0.73 0.00 0.00 179.01 179.85 3c8r h THR 109 N 0.04 1.18 0.18 0.32 2.02 -1.96 -0.88 112.91 113.80 3c8r h THR 109 Ca 0.15 -0.37 0.01 0.00 0.77 0.00 0.00 66.41 66.97 3c8r h THR 109 Cb 0.22 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 3c8r h THR 109 CO -0.29 0.18 -0.21 1.23 0.37 0.00 0.00 175.52 176.80 3c8r h GLY 110 N 0.86 -0.44 1.42 2.16 0.00 -1.54 -2.96 103.07 102.57 3c8r h GLY 110 Ca 0.23 0.25 -0.08 0.00 0.00 0.00 0.00 47.33 47.72 3c8r h GLY 110 CO -0.05 -0.20 -0.10 -2.08 0.00 0.00 0.00 176.54 174.12 3c8r h VAL 111 N -0.44 1.25 0.00 4.60 2.07 -1.18 -2.58 116.25 119.97 3c8r h VAL 111 Ca 0.01 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.43 3c8r h VAL 111 Cb 0.43 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3c8r h VAL 111 CO -0.08 0.37 -0.00 0.00 0.02 0.00 0.00 177.57 177.88 3c8r h ALA 112 N 1.26 1.49 0.00 1.67 0.00 -1.00 -0.49 119.26 122.18 3c8r h ALA 112 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3c8r h ALA 112 Cb 0.54 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3c8r h ALA 112 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 3c8r n GLY 113 N -1.29 -1.08 2.30 0.00 0.00 -0.97 -3.91 105.19 100.24 3c8r n GLY 113 Ca -0.03 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 3c8r n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3c8r n PHE 114 N -1.45 1.57 -0.25 1.61 3.72 -0.19 -4.78 117.46 117.68 3c8r n PHE 114 Ca 0.06 -2.31 -0.08 0.00 -0.05 0.00 0.00 57.45 55.07 3c8r n PHE 114 Cb 0.20 -1.83 -0.03 0.00 -0.94 0.00 0.00 39.48 36.88 3c8r n PHE 114 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 3c8r h THR 115 N 2.39 0.06 -0.66 4.37 2.02 -1.83 -0.88 112.91 118.38 3c8r h THR 115 Ca 0.53 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.64 3c8r h THR 115 Cb 0.74 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 3c8r h THR 115 CO 1.06 0.00 0.16 0.78 0.37 0.00 0.00 175.52 177.89 3c8r h ASN 116 N -0.17 0.99 -0.43 4.18 2.35 -1.95 -1.86 115.58 118.68 3c8r h ASN 116 Ca 0.20 -0.20 -0.09 0.00 -0.55 0.00 0.00 56.30 55.65 3c8r h ASN 116 Cb 0.55 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 3c8r h ASN 116 CO -0.76 0.96 -0.09 0.28 -1.65 0.00 0.00 177.43 176.16 3c8r h SER 117 N 1.00 0.83 -0.54 5.81 0.02 -1.83 -1.84 113.55 117.00 3c8r h SER 117 Ca 0.21 -0.36 0.02 0.00 -0.84 0.00 0.00 61.79 60.82 3c8r h SER 117 Cb 0.35 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 3c8r h SER 117 CO 0.00 0.99 0.33 -0.07 -1.14 0.00 0.00 176.83 176.94 3c8r h LEU 118 N 0.65 0.54 -0.60 5.07 3.38 -0.98 0.30 115.31 123.68 3c8r h LEU 118 Ca 0.11 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3c8r h LEU 118 Cb 0.63 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3c8r h LEU 118 CO 0.04 0.38 0.32 -0.09 0.09 0.00 0.00 178.44 179.18 3c8r h ARG 119 N 0.66 0.84 -0.59 1.13 2.43 -1.18 -1.14 114.38 116.52 3c8r h ARG 119 Ca 0.21 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 3c8r h ARG 119 Cb -0.00 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 3c8r h ARG 119 CO -0.08 0.65 0.16 0.52 -1.51 0.00 0.00 179.97 179.71 3c8r h MET 120 N 0.81 0.91 -0.42 0.20 2.86 -0.76 -0.99 114.93 117.54 3c8r h MET 120 Ca 0.21 -0.19 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 3c8r h MET 120 Cb 0.06 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 3c8r h MET 120 CO -0.03 0.80 0.03 -0.07 1.06 0.00 0.00 176.91 178.70 3c8r h LEU 121 N 0.88 0.70 -1.47 1.22 3.38 -0.50 -1.19 115.31 118.33 3c8r h LEU 121 Ca 0.19 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3c8r h LEU 121 Cb 0.29 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3c8r h LEU 121 CO -0.00 0.82 0.20 -0.61 0.09 0.00 0.00 178.44 178.93 3c8r h GLN 122 N 0.57 0.55 -0.00 1.13 4.15 -0.88 -0.46 115.11 120.16 3c8r h GLN 122 Ca 0.12 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.49 3c8r h GLN 122 Cb 0.44 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.02 3c8r h GLN 122 CO 0.02 0.43 -0.03 1.04 -1.93 0.00 0.00 178.83 178.35 3c8r n GLN 123 N -4.41 0.84 -2.26 1.69 6.02 -0.41 -4.91 117.38 113.94 3c8r n GLN 123 Ca 0.03 -0.16 -0.16 0.00 -0.01 0.00 0.00 57.00 56.70 3c8r n GLN 123 Cb 0.11 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.87 3c8r n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3c8r n LYS 124 N -0.94 -1.25 -2.77 -1.09 5.02 -0.18 -4.93 118.16 112.03 3c8r n LYS 124 Ca 0.18 0.77 -0.43 0.00 -2.02 0.00 0.00 58.31 56.82 3c8r n LYS 124 Cb 0.21 -5.14 0.01 0.00 -0.02 0.00 0.00 35.03 30.09 3c8r n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3c8r n ARG 125 N -2.51 3.92 -0.13 1.97 1.74 -0.55 -4.89 116.66 116.20 3c8r n ARG 125 Ca -0.19 -4.06 -0.05 0.00 -0.77 0.00 0.00 57.85 52.78 3c8r n ARG 125 Cb 0.64 -2.74 0.01 0.00 -1.02 0.00 0.00 32.46 29.35 3c8r n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 3c8r h TRP 126 N 5.88 -0.55 -0.65 -1.55 -0.00 -1.90 -0.14 115.95 117.04 3c8r h TRP 126 Ca 0.29 0.05 -0.09 0.00 -0.00 0.00 0.00 58.89 59.14 3c8r h TRP 126 Cb 0.68 0.31 -0.02 0.00 -0.00 0.00 0.00 29.16 30.12 3c8r h TRP 126 CO 1.09 -0.30 0.07 -0.44 -0.00 0.00 0.00 178.44 178.86 3c8r h ASP 127 N -0.13 1.07 -0.51 -3.49 5.19 -1.90 -1.78 116.42 114.87 3c8r h ASP 127 Ca 0.21 -0.27 -0.11 0.00 -0.62 0.00 0.00 57.03 56.23 3c8r h ASP 127 Cb 0.45 -0.29 -0.02 0.00 0.18 0.00 0.00 39.33 39.66 3c8r h ASP 127 CO -0.52 1.08 -0.12 -0.33 -3.12 0.00 0.00 179.24 176.23 3c8r h GLU 128 N 1.03 0.98 -0.85 3.56 5.08 -1.89 -2.53 114.58 119.95 3c8r h GLU 128 Ca 0.19 -0.37 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 3c8r h GLU 128 Cb 0.49 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 3c8r h GLU 128 CO 0.02 1.05 0.41 0.00 -1.00 0.00 0.00 179.01 179.49 3c8r h ALA 129 N 0.90 1.13 -0.37 3.43 0.00 -0.87 -2.24 119.26 121.25 3c8r h ALA 129 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3c8r h ALA 129 Cb 0.68 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3c8r h ALA 129 CO 0.05 0.66 0.23 0.00 0.00 0.00 0.00 179.25 180.20 3c8r h ALA 130 N 1.24 0.47 -0.34 0.00 0.00 -1.13 0.16 119.26 119.66 3c8r h ALA 130 Ca 0.29 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3c8r h ALA 130 Cb 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3c8r h ALA 130 CO -0.04 -0.06 0.16 0.28 0.00 0.00 0.00 179.25 179.60 3c8r h VAL 131 N 0.49 1.16 -0.43 0.00 2.07 -1.24 -2.35 116.25 115.95 3c8r h VAL 131 Ca 0.13 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3c8r h VAL 131 Cb -0.03 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3c8r h VAL 131 CO -0.03 0.16 0.27 -1.13 0.02 0.00 0.00 177.57 176.87 3c8r h ASN 132 N 0.41 0.50 -0.54 0.57 -0.73 -1.08 -2.25 115.58 112.46 3c8r h ASN 132 Ca 0.12 -0.03 0.01 0.00 1.87 0.00 0.00 56.30 58.27 3c8r h ASN 132 Cb 0.11 -0.13 -0.03 0.00 0.27 0.00 0.00 38.32 38.55 3c8r h ASN 132 CO -0.01 0.38 0.36 -0.07 -0.37 0.00 0.00 177.43 177.72 3c8r h LEU 133 N 0.57 0.60 -0.84 0.34 3.38 -0.56 -1.74 115.31 117.06 3c8r h LEU 133 Ca 0.16 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3c8r h LEU 133 Cb -0.04 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3c8r h LEU 133 CO -0.03 0.43 0.00 0.00 0.09 0.00 0.00 178.44 178.92 3c8r h ALA 134 N 1.67 1.00 -0.92 1.53 0.00 -0.85 -3.33 119.26 118.35 3c8r h ALA 134 Ca 0.20 0.00 -0.76 0.00 0.00 0.00 0.00 54.91 54.36 3c8r h ALA 134 Cb -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.60 3c8r h ALA 134 CO -0.05 0.00 2.01 1.63 0.00 0.00 0.00 179.25 182.84 3c8r n LYS 135 N -2.50 3.78 -3.72 0.00 5.02 -0.65 -4.69 118.16 115.39 3c8r n LYS 135 Ca 0.02 -3.57 -0.10 0.00 -2.02 0.00 0.00 58.31 52.64 3c8r n LYS 135 Cb 0.28 -2.87 -0.06 0.00 -0.02 0.00 0.00 35.03 32.36 3c8r n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3c8r s SER 136 N 0.64 -0.12 0.24 4.39 1.04 -1.25 -5.01 113.70 113.63 3c8r s SER 136 Ca 0.41 -0.38 -0.06 0.00 0.48 0.00 0.00 55.95 56.40 3c8r s SER 136 Cb 0.10 0.41 0.23 0.00 0.10 0.00 0.00 66.02 66.86 3c8r s SER 136 CO -0.00 -0.77 1.85 -0.09 0.98 0.00 0.00 173.24 175.21 3c8r h ARG 137 N 2.65 1.22 -0.36 4.02 2.43 -1.92 -2.20 114.38 120.22 3c8r h ARG 137 Ca -0.33 -0.16 0.08 0.00 -0.81 0.00 0.00 59.98 58.76 3c8r h ARG 137 Cb 1.23 -0.23 -0.09 0.00 -0.42 0.00 0.00 29.97 30.46 3c8r h ARG 137 CO 0.49 0.91 -0.30 2.35 -1.51 0.00 0.00 179.97 181.91 3c8r h TRP 138 N 1.22 -0.83 -0.62 2.20 7.01 -1.95 0.18 115.95 123.17 3c8r h TRP 138 Ca 0.30 0.05 -0.03 0.00 2.11 0.00 0.00 58.89 61.33 3c8r h TRP 138 Cb 0.06 0.42 -0.03 0.00 -2.10 0.00 0.00 29.16 27.51 3c8r h TRP 138 CO 0.01 -0.37 0.29 -0.92 -2.79 0.00 0.00 178.44 174.66 3c8r h TYR 139 N -0.25 0.90 0.00 2.65 3.20 -1.76 -1.61 116.97 120.11 3c8r h TYR 139 Ca 0.17 -0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.91 3c8r h TYR 139 Cb 0.52 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3c8r h TYR 139 CO -0.50 0.69 -0.39 -0.91 -1.64 0.00 0.00 178.16 175.41 3c8r h ASN 140 N 0.85 0.00 0.31 -2.11 4.21 -0.63 -1.81 115.58 116.39 3c8r h ASN 140 Ca 0.21 0.00 -0.33 0.00 1.21 0.00 0.00 56.30 57.39 3c8r h ASN 140 Cb 0.13 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.31 3c8r h ASN 140 CO -0.03 0.39 -1.79 1.56 -1.29 0.00 0.00 177.43 176.28 3c8r h GLN 141 N 0.00 0.21 -2.08 0.81 1.08 -0.56 -3.40 115.11 111.16 3c8r h GLN 141 Ca -0.00 -0.35 -0.56 0.00 -1.45 0.00 0.00 58.65 56.28 3c8r h GLN 141 Cb 0.77 0.13 -0.40 0.00 -0.05 0.00 0.00 27.48 27.93 3c8r h GLN 141 CO 0.05 1.02 -0.93 0.25 -0.95 0.00 0.00 178.83 178.27 3c8r n THR 142 N -3.38 0.63 -0.26 -0.54 -2.24 -0.62 -4.99 114.28 102.89 3c8r n THR 142 Ca -0.24 -4.60 -0.01 0.00 -2.27 0.00 0.00 64.05 56.93 3c8r n THR 142 Cb 1.05 -1.69 0.11 0.00 -2.10 0.00 0.00 70.33 67.69 3c8r n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3c8r h PRO 143 N 3.81 0.81 -0.31 -0.78 0.13 -1.52 -0.66 132.00 133.47 3c8r h PRO 143 Ca 0.12 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.19 3c8r h PRO 143 Cb 0.79 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 3c8r h PRO 143 CO 0.61 0.53 0.14 -0.91 -0.23 0.00 0.00 178.00 178.15 3c8r h ASN 144 N 0.83 0.42 -0.08 1.44 4.21 -1.94 0.26 115.58 120.72 3c8r h ASN 144 Ca 0.32 -0.14 -0.01 0.00 1.21 0.00 0.00 56.30 57.68 3c8r h ASN 144 Cb 0.13 -0.11 -0.00 0.00 -1.12 0.00 0.00 38.32 37.22 3c8r h ASN 144 CO -0.16 0.44 0.01 -0.09 -1.29 0.00 0.00 177.43 176.34 3c8r h ARG 145 N 0.37 0.14 -0.98 0.81 2.43 -1.94 -2.36 114.38 112.84 3c8r h ARG 145 Ca 0.11 -0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.32 3c8r h ARG 145 Cb 0.14 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.60 3c8r h ARG 145 CO -0.01 0.35 0.63 0.00 -1.51 0.00 0.00 179.97 179.43 3c8r h ALA 146 N 0.78 1.45 -0.67 2.80 0.00 -0.92 -0.95 119.26 121.74 3c8r h ALA 146 Ca 0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3c8r h ALA 146 Cb 0.28 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3c8r h ALA 146 CO 0.00 0.38 0.26 0.87 0.00 0.00 0.00 179.25 180.76 3c8r h LYS 147 N 1.11 1.00 -0.48 0.00 1.57 -0.26 0.05 116.57 119.56 3c8r h LYS 147 Ca 0.44 -0.17 -0.10 0.00 -1.87 0.00 0.00 60.65 58.94 3c8r h LYS 147 Cb 0.23 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3c8r h LYS 147 CO -0.18 0.83 -0.09 0.00 -0.57 0.00 0.00 179.45 179.43 3c8r h ARG 148 N 0.98 0.91 -0.22 3.15 3.08 -0.68 -0.66 114.38 120.94 3c8r h ARG 148 Ca 0.23 -0.34 -0.06 0.00 0.07 0.00 0.00 59.98 59.88 3c8r h ARG 148 Cb 0.21 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3c8r h ARG 148 CO -0.02 0.99 -0.10 0.28 -1.07 0.00 0.00 179.97 180.05 3c8r h VAL 149 N 0.76 1.30 -0.79 2.04 2.07 -0.97 -2.39 116.25 118.27 3c8r h VAL 149 Ca 0.12 -1.16 -0.03 0.00 0.82 0.00 0.00 66.70 66.46 3c8r h VAL 149 Cb 0.64 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 3c8r h VAL 149 CO 0.04 0.35 0.38 0.40 0.02 0.00 0.00 177.57 178.76 3c8r h ILE 150 N 0.16 1.25 -0.25 4.57 2.04 -0.96 -1.15 117.51 123.17 3c8r h ILE 150 Ca 0.05 -0.71 -0.04 0.00 1.00 0.00 0.00 64.86 65.16 3c8r h ILE 150 Cb 0.59 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3c8r h ILE 150 CO 0.03 0.30 -0.02 0.74 0.00 0.00 0.00 178.15 179.20 3c8r h THR 151 N 1.13 1.16 -0.30 -0.27 2.02 -1.07 0.16 112.91 115.74 3c8r h THR 151 Ca 0.27 -0.65 -0.08 0.00 0.77 0.00 0.00 66.41 66.72 3c8r h THR 151 Cb 0.13 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 3c8r h THR 151 CO -0.03 0.22 -0.12 0.74 0.37 0.00 0.00 175.52 176.70 3c8r h THR 152 N 0.36 1.29 -0.64 3.16 2.02 -0.79 -0.92 112.91 117.39 3c8r h THR 152 Ca 0.08 -1.20 -0.08 0.00 0.77 0.00 0.00 66.41 65.99 3c8r h THR 152 Cb 0.27 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 3c8r h THR 152 CO 0.01 0.38 0.10 -0.26 0.37 0.00 0.00 175.52 176.13 3c8r h PHE 153 N 0.37 1.11 -0.34 3.16 0.05 -0.73 0.42 116.94 120.98 3c8r h PHE 153 Ca 0.07 -0.15 -0.06 0.00 3.82 0.00 0.00 57.97 61.66 3c8r h PHE 153 Cb 0.63 -0.31 -0.01 0.00 2.00 0.00 0.00 35.95 38.26 3c8r h PHE 153 CO 0.06 0.94 -0.01 -0.09 -0.18 0.00 0.00 178.31 179.02 3c8r h ARG 154 N 0.99 0.60 0.00 1.51 2.43 -0.73 -3.36 114.38 115.82 3c8r h ARG 154 Ca 0.20 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3c8r h ARG 154 Cb 0.42 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3c8r h ARG 154 CO 0.01 0.73 -2.02 0.25 -1.51 0.00 0.00 179.97 177.43 3c8r n THR 155 N -4.51 0.08 -1.27 0.20 -2.24 -0.37 -4.83 114.28 101.33 3c8r n THR 155 Ca -0.02 -0.52 -0.09 0.00 -2.27 0.00 0.00 64.05 61.15 3c8r n THR 155 Cb 0.28 -0.03 -0.04 0.00 -2.10 0.00 0.00 70.33 68.44 3c8r n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3c8r n GLY 156 N 1.29 1.10 3.51 3.38 0.00 0.13 -5.00 105.19 109.60 3c8r n GLY 156 Ca -0.06 -0.52 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 3c8r n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3c8r s THR 157 N -2.31 1.24 -1.59 2.61 -4.23 -1.26 -4.77 115.64 105.32 3c8r s THR 157 Ca 0.00 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.68 3c8r s THR 157 Cb 0.00 -2.73 0.58 0.00 1.34 0.00 0.00 72.50 71.69 3c8r s THR 157 CO 0.00 0.00 1.47 0.79 -0.54 0.00 0.00 174.62 176.34 3c8r n TRP 158 N -0.80 1.05 -0.33 3.99 7.02 -1.26 -4.62 117.44 122.49 3c8r n TRP 158 Ca -0.04 -0.46 0.21 0.00 -1.02 0.00 0.00 57.50 56.19 3c8r n TRP 158 Cb 0.66 -0.11 0.43 0.00 -2.42 0.00 0.00 31.31 29.87 3c8r n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3c8r h ASP 159 N 3.52 0.39 0.61 -0.99 3.45 -1.95 0.15 116.42 121.59 3c8r h ASP 159 Ca 0.00 0.19 0.00 0.00 0.43 0.00 0.00 57.03 57.65 3c8r h ASP 159 Cb 1.05 0.17 0.00 0.00 -0.56 0.00 0.00 39.33 39.99 3c8r h ASP 159 CO 0.10 -0.14 0.00 0.00 -1.57 0.00 0.00 179.24 177.64 3c8r n ALA 160 N -2.40 1.55 0.70 3.45 0.00 -1.26 -1.75 120.51 120.79 3c8r n ALA 160 Ca 0.29 0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.92 3c8r n ALA 160 Cb 0.91 -1.38 0.04 0.00 0.00 0.00 0.00 19.45 19.02 3c8r n ALA 160 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3c8r n TYR 161 N -2.27 0.00 -2.78 0.00 4.01 0.48 -4.95 117.16 111.66 3c8r n TYR 161 Ca 0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.35 3c8r n TYR 161 Cb 0.20 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.18 3c8r n TYR 161 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 3c8r s LYS 162 N -1.57 4.69 -0.25 -0.72 2.36 -0.72 -3.85 119.74 119.69 3c8r s LYS 162 Ca 0.17 1.39 -0.01 0.00 -2.55 0.00 0.00 55.97 54.97 3c8r s LYS 162 Cb 0.13 -3.36 0.00 0.00 -1.05 0.00 0.00 37.83 33.56 3c8r s LYS 162 CO 0.28 0.28 0.22 0.09 1.55 0.00 0.00 175.35 177.76 3c8r n ASN 163 N 2.57 -2.48 0.00 1.43 4.13 -1.26 -5.03 115.26 114.62 3c8r n ASN 163 Ca 0.01 -0.11 0.00 0.00 1.68 0.00 0.00 54.58 56.16 3c8r n ASN 163 Cb 0.49 -1.39 0.00 0.00 -1.54 0.00 0.00 39.78 37.34 3c8r n ASN 163 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72