#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3l8r n ASN 2 N 0.00 1.98 0.13 6.12 5.15 -1.26 -4.23 115.26 123.15 3l8r n ASN 2 Ca 0.00 -0.14 0.03 0.00 -0.60 0.00 0.00 54.58 53.87 3l8r n ASN 2 Cb 0.00 -0.41 0.40 0.00 -0.53 0.00 0.00 39.78 39.24 3l8r n ASN 2 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3l8r h THR 3 N -0.01 1.17 -0.01 -0.44 1.03 -1.99 -0.58 112.91 112.09 3l8r h THR 3 Ca -0.58 -0.76 -0.19 0.00 -0.01 0.00 0.00 66.41 64.87 3l8r h THR 3 Cb 1.90 1.22 0.01 0.00 -1.07 0.00 0.00 68.15 70.21 3l8r h THR 3 CO -0.09 0.24 -0.74 -0.33 -0.01 0.00 0.00 175.52 174.59 3l8r h GLU 4 N 0.21 0.52 -0.92 0.00 4.39 -2.00 -2.52 114.58 114.27 3l8r h GLU 4 Ca 0.04 -0.55 0.04 0.00 0.34 0.00 0.00 59.36 59.23 3l8r h GLU 4 Cb 0.36 0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 29.11 3l8r h GLU 4 CO 0.02 1.18 0.59 1.49 -1.16 0.00 0.00 179.01 181.13 3l8r h GLU 5 N 0.08 1.12 -0.00 2.33 4.81 -1.67 -0.03 114.58 121.22 3l8r h GLU 5 Ca -0.09 -0.07 -0.17 0.00 -0.13 0.00 0.00 59.36 58.91 3l8r h GLU 5 Cb 1.43 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 3l8r h GLU 5 CO 0.15 0.74 -0.79 -0.07 -0.73 0.00 0.00 179.01 178.31 3l8r h LEU 6 N 1.15 0.01 -0.68 1.64 3.38 -1.15 -0.14 115.31 119.52 3l8r h LEU 6 Ca 0.37 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.23 3l8r h LEU 6 Cb 0.01 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3l8r h LEU 6 CO -0.12 0.79 -0.11 1.56 0.09 0.00 0.00 178.44 180.66 3l8r h GLN 7 N 0.00 0.92 -0.16 1.13 4.20 -1.08 0.50 115.11 120.62 3l8r h GLN 7 Ca -0.01 -0.32 -0.05 0.00 0.06 0.00 0.00 58.65 58.33 3l8r h GLN 7 Cb 1.40 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 29.10 3l8r h GLN 7 CO 0.10 0.97 -0.09 0.28 -0.67 0.00 0.00 178.83 179.42 3l8r h VAL 8 N 0.82 1.32 0.45 -0.54 2.07 -0.52 -0.94 116.25 118.91 3l8r h VAL 8 Ca 0.13 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 3l8r h VAL 8 Cb 0.63 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 3l8r h VAL 8 CO 0.04 0.34 -0.48 0.00 0.02 0.00 0.00 177.57 177.50 3l8r h ALA 9 N 0.66 -1.06 -0.83 1.67 0.00 -1.00 0.16 119.26 118.87 3l8r h ALA 9 Ca 0.03 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.85 3l8r h ALA 9 Cb 0.58 0.70 -0.11 0.00 0.00 0.00 0.00 17.79 18.95 3l8r h ALA 9 CO 0.03 -1.13 -0.57 0.00 0.00 0.00 0.00 179.25 177.57 3l8r h ALA 10 N -0.73 -0.60 -0.95 0.00 0.00 -0.87 -1.10 119.26 115.01 3l8r h ALA 10 Ca -0.05 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3l8r h ALA 10 Cb 0.83 1.29 -0.06 0.00 0.00 0.00 0.00 17.79 19.86 3l8r h ALA 10 CO -0.08 -0.98 0.62 0.74 0.00 0.00 0.00 179.25 179.55 3l8r h PHE 11 N -0.12 1.14 -0.24 0.00 -1.00 -0.79 -1.05 116.94 114.88 3l8r h PHE 11 Ca 0.14 0.03 0.06 0.00 2.81 0.00 0.00 57.97 61.00 3l8r h PHE 11 Cb 0.47 -0.38 -0.06 0.00 3.61 0.00 0.00 35.95 39.60 3l8r h PHE 11 CO -0.94 0.63 -0.12 1.49 -1.61 0.00 0.00 178.31 177.76 3l8r h GLU 12 N 1.15 -0.09 0.02 1.51 4.81 0.32 0.26 114.58 122.57 3l8r h GLU 12 Ca 0.39 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.64 3l8r h GLU 12 Cb 0.08 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 3l8r h GLU 12 CO -0.13 -0.06 -0.10 0.82 -0.73 0.00 0.00 179.01 178.81 3l8r h ILE 13 N -0.09 0.76 0.28 2.32 2.04 -0.56 -2.00 117.51 120.25 3l8r h ILE 13 Ca 0.13 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 3l8r h ILE 13 Cb 0.29 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3l8r h ILE 13 CO -0.30 0.00 -0.14 0.40 0.00 0.00 0.00 178.15 178.11 3l8r h ILE 14 N -0.18 0.74 -0.42 -0.67 2.04 -0.98 0.39 117.51 118.43 3l8r h ILE 14 Ca 0.03 -0.13 0.06 0.00 1.00 0.00 0.00 64.86 65.82 3l8r h ILE 14 Cb 0.21 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 3l8r h ILE 14 CO -0.08 0.03 0.11 -0.07 0.00 0.00 0.00 178.15 178.13 3l8r h LEU 15 N -0.45 0.06 -0.30 1.44 -0.00 -0.52 -0.06 115.31 115.48 3l8r h LEU 15 Ca -0.04 0.07 -0.20 0.00 -0.00 0.00 0.00 57.88 57.71 3l8r h LEU 15 Cb 0.34 0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 3l8r h LEU 15 CO 0.06 0.07 -0.73 0.78 -0.00 0.00 0.00 178.44 178.62 3l8r h ASN 16 N 0.25 0.72 -0.50 -0.43 2.35 -1.13 -2.08 115.58 114.75 3l8r h ASN 16 Ca 0.20 -0.46 -0.06 0.00 -0.55 0.00 0.00 56.30 55.43 3l8r h ASN 16 Cb 0.24 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 3l8r h ASN 16 CO -0.25 1.23 0.10 -1.28 -1.65 0.00 0.00 177.43 175.58 3l8r h SER 17 N 0.42 0.82 -0.28 5.81 0.87 0.07 -1.25 113.55 120.00 3l8r h SER 17 Ca -0.04 -0.16 -0.09 0.00 -1.23 0.00 0.00 61.79 60.27 3l8r h SER 17 Cb 1.33 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 3l8r h SER 17 CO 0.14 0.82 -0.12 1.23 -0.53 0.00 0.00 176.83 178.37 3l8r h GLY 18 N 0.99 0.76 0.91 5.77 0.00 -0.89 0.31 103.07 110.92 3l8r h GLY 18 Ca 0.18 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 3l8r h GLY 18 CO 0.00 0.52 0.11 -0.57 0.00 0.00 0.00 176.54 176.60 3l8r h ASN 19 N 0.64 0.40 -0.70 0.19 -1.24 -0.92 -2.69 115.58 111.26 3l8r h ASN 19 Ca 0.11 -0.17 0.02 0.00 0.71 0.00 0.00 56.30 56.97 3l8r h ASN 19 Cb 0.57 -0.10 -0.04 0.00 0.73 0.00 0.00 38.32 39.47 3l8r h ASN 19 CO 0.04 0.47 0.45 0.00 -1.29 0.00 0.00 177.43 177.09 3l8r h ALA 20 N 0.95 0.90 -0.42 1.57 0.00 -0.18 -2.20 119.26 119.89 3l8r h ALA 20 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3l8r h ALA 20 Cb 0.19 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3l8r h ALA 20 CO -0.01 0.25 0.24 -0.09 0.00 0.00 0.00 179.25 179.64 3l8r h ARG 21 N 0.90 0.59 0.00 0.00 2.43 -0.19 0.19 114.38 118.29 3l8r h ARG 21 Ca 0.27 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 3l8r h ARG 21 Cb -0.04 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 3l8r h ARG 21 CO -0.09 0.47 0.00 0.66 -1.51 0.00 0.00 179.97 179.50 3l8r h SER 22 N 0.55 0.00 -0.14 -3.80 4.64 -1.32 -0.29 113.55 113.20 3l8r h SER 22 Ca 0.15 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.39 3l8r h SER 22 Cb 0.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3l8r h SER 22 CO -0.02 0.00 -0.22 0.40 -0.87 0.00 0.00 176.83 176.12 3l8r h ILE 23 N 0.00 1.36 -0.68 0.95 2.04 -0.70 0.86 117.51 121.35 3l8r h ILE 23 Ca 0.00 -1.46 0.13 0.00 1.00 0.00 0.00 64.86 64.53 3l8r h ILE 23 Cb 0.78 1.98 -0.04 0.00 -0.74 0.00 0.00 36.82 38.81 3l8r h ILE 23 CO 0.00 0.43 0.45 0.58 0.00 0.00 0.00 178.15 179.61 3l8r h VAL 24 N -0.01 0.83 -0.19 1.67 2.07 -0.26 -0.29 116.25 120.09 3l8r h VAL 24 Ca 0.01 -0.13 -0.20 0.00 0.82 0.00 0.00 66.70 67.19 3l8r h VAL 24 Cb 0.79 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3l8r h VAL 24 CO 0.05 0.07 -0.69 0.45 0.02 0.00 0.00 177.57 177.47 3l8r h HIS 25 N 0.39 1.00 -0.57 1.57 3.86 -0.76 -0.99 115.15 119.64 3l8r h HIS 25 Ca 0.32 -0.41 0.12 0.00 -1.16 0.00 0.00 60.37 59.24 3l8r h HIS 25 Cb 0.73 -0.17 -0.10 0.00 1.06 0.00 0.00 27.41 28.94 3l8r h HIS 25 CO -0.00 1.23 0.01 0.93 0.86 0.00 0.00 177.93 180.96 3l8r h GLU 26 N 0.54 0.12 -0.07 2.45 5.08 -0.15 0.14 114.58 122.70 3l8r h GLU 26 Ca -0.03 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3l8r h GLU 26 Cb 1.31 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 3l8r h GLU 26 CO 0.14 0.08 0.04 0.00 -1.00 0.00 0.00 179.01 178.27 3l8r h ALA 27 N 1.51 0.08 -0.71 3.43 0.00 -0.83 0.28 119.26 123.03 3l8r h ALA 27 Ca 0.30 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.33 3l8r h ALA 27 Cb 0.47 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.15 3l8r h ALA 27 CO -0.48 -0.43 0.27 0.74 0.00 0.00 0.00 179.25 179.35 3l8r h PHE 28 N 0.08 0.47 -0.88 0.00 0.05 -0.57 -0.80 116.94 115.29 3l8r h PHE 28 Ca 0.03 0.03 0.08 0.00 3.82 0.00 0.00 57.97 61.93 3l8r h PHE 28 Cb -0.00 -0.10 -0.06 0.00 2.00 0.00 0.00 35.95 37.79 3l8r h PHE 28 CO -0.08 0.08 0.57 -0.44 -0.18 0.00 0.00 178.31 178.25 3l8r h ASP 29 N 0.43 0.83 0.23 2.17 3.32 0.03 -0.65 116.42 122.78 3l8r h ASP 29 Ca 0.38 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.43 3l8r h ASP 29 Cb 0.54 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3l8r h ASP 29 CO -0.37 0.51 -0.11 0.00 -1.72 0.00 0.00 179.24 177.54 3l8r h ALA 30 N 1.54 -0.30 -0.82 3.45 0.00 0.45 -2.39 119.26 121.19 3l8r h ALA 30 Ca 0.40 -0.21 0.15 0.00 0.00 0.00 0.00 54.91 55.25 3l8r h ALA 30 Cb 0.32 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 3l8r h ALA 30 CO -0.16 -0.41 0.54 0.00 0.00 0.00 0.00 179.25 179.22 3l8r h MET 31 N -0.83 0.49 -0.69 0.00 -0.00 -1.25 0.70 114.93 113.33 3l8r h MET 31 Ca -0.03 -0.03 0.12 0.00 -0.00 0.00 0.00 59.70 59.76 3l8r h MET 31 Cb 0.51 -0.11 -0.09 0.00 -0.00 0.00 0.00 31.60 31.92 3l8r h MET 31 CO 0.05 0.32 0.26 0.00 -0.00 0.00 0.00 176.91 177.54 3l8r h ARG 32 N 0.50 0.40 -0.94 -0.10 3.08 -0.91 -1.71 114.38 114.70 3l8r h ARG 32 Ca 0.41 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.37 3l8r h ARG 32 Cb 0.85 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.78 3l8r h ARG 32 CO -0.15 0.27 0.08 0.39 -1.07 0.00 0.00 179.97 179.48 3l8r n GLU 33 N -5.01 1.66 -0.62 0.04 -0.58 0.24 -4.88 120.64 111.49 3l8r n GLU 33 Ca 0.12 -0.76 0.00 0.00 -0.42 0.00 0.00 57.16 56.10 3l8r n GLU 33 Cb 0.36 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 3l8r n GLU 33 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3l8r n LYS 34 N 0.13 -0.62 -2.85 3.49 5.02 -0.64 -4.88 118.16 117.80 3l8r n LYS 34 Ca 0.11 0.15 -0.44 0.00 -2.02 0.00 0.00 58.31 56.11 3l8r n LYS 34 Cb 0.63 -4.50 -0.00 0.00 -0.02 0.00 0.00 35.03 31.13 3l8r n LYS 34 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3l8r s ASN 35 N -1.91 6.97 0.32 4.39 3.04 -1.09 -4.80 114.94 121.87 3l8r s ASN 35 Ca 0.00 -2.76 0.13 0.00 0.04 0.00 0.00 52.86 50.27 3l8r s ASN 35 Cb 0.00 -2.45 0.53 0.00 -1.54 0.00 0.00 41.25 37.79 3l8r s ASN 35 CO 0.00 -0.89 1.69 1.88 -3.04 0.00 0.00 177.10 176.75 3l8r h TYR 36 N 7.45 0.00 -0.07 0.43 0.05 -1.90 -2.77 116.97 120.16 3l8r h TYR 36 Ca 0.33 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.11 3l8r h TYR 36 Cb 0.89 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.62 3l8r h TYR 36 CO 1.19 0.50 0.04 0.82 -1.05 0.00 0.00 178.16 179.66 3l8r h ILE 37 N 0.00 1.06 -0.63 -2.88 2.04 -1.98 -0.59 117.51 114.52 3l8r h ILE 37 Ca -0.01 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.69 3l8r h ILE 37 Cb 0.94 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 3l8r h ILE 37 CO 0.07 0.05 0.40 0.25 0.00 0.00 0.00 178.15 178.91 3l8r h LEU 38 N 0.04 0.75 -0.68 1.44 6.46 -1.93 -1.19 115.31 120.21 3l8r h LEU 38 Ca 0.02 -0.05 0.01 0.00 -0.12 0.00 0.00 57.88 57.75 3l8r h LEU 38 Cb 0.05 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 39.76 3l8r h LEU 38 CO -0.00 0.57 0.45 0.00 -0.62 0.00 0.00 178.44 178.84 3l8r h ALA 39 N 1.21 0.86 -0.01 1.25 0.00 -1.38 -0.25 119.26 120.94 3l8r h ALA 39 Ca 0.23 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3l8r h ALA 39 Cb -0.05 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 3l8r h ALA 39 CO -0.05 0.27 -0.00 1.49 0.00 0.00 0.00 179.25 180.97 3l8r h GLU 40 N 0.91 0.01 -0.37 0.00 4.81 -0.71 -0.75 114.58 118.47 3l8r h GLU 40 Ca 0.25 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.46 3l8r h GLU 40 Cb -0.09 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 3l8r h GLU 40 CO -0.06 0.39 0.15 -0.56 -0.73 0.00 0.00 179.01 178.21 3l8r h GLN 41 N -0.37 0.55 -0.98 1.92 3.07 -1.01 -1.17 115.11 117.12 3l8r h GLN 41 Ca 0.00 -0.10 0.20 0.00 0.09 0.00 0.00 58.65 58.84 3l8r h GLN 41 Cb 0.39 -0.09 -0.11 0.00 0.08 0.00 0.00 27.48 27.75 3l8r h GLN 41 CO 0.00 0.52 0.58 0.87 0.09 0.00 0.00 178.83 180.89 3l8r h LYS 42 N 0.45 0.67 -0.51 0.06 6.56 -1.11 0.14 116.57 122.83 3l8r h LYS 42 Ca 0.12 -0.04 0.07 0.00 -1.06 0.00 0.00 60.65 59.74 3l8r h LYS 42 Cb 0.17 -0.15 -0.03 0.00 -0.57 0.00 0.00 32.23 31.65 3l8r h LYS 42 CO -0.01 0.44 0.34 -0.07 -2.06 0.00 0.00 179.45 178.10 3l8r h LEU 43 N 0.69 0.37 0.00 2.94 3.38 0.06 0.31 115.31 123.06 3l8r h LEU 43 Ca 0.58 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.32 3l8r h LEU 43 Cb 0.95 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 3l8r h LEU 43 CO -0.41 0.24 -1.21 -0.61 0.09 0.00 0.00 178.44 176.54 3l8r h GLN 44 N 0.42 0.00 -0.68 1.13 5.75 -0.08 -3.14 115.11 118.51 3l8r h GLN 44 Ca 0.23 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.68 3l8r h GLN 44 Cb 0.35 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.87 3l8r h GLN 44 CO -0.06 0.83 0.25 0.93 -2.65 0.00 0.00 178.83 178.13 3l8r h GLU 45 N 0.00 1.04 -0.21 1.69 5.08 -0.16 -1.88 114.58 120.13 3l8r h GLU 45 Ca -0.09 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 3l8r h GLU 45 Cb 1.84 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.92 3l8r h GLU 45 CO 0.11 0.88 0.00 0.00 -1.00 0.00 0.00 179.01 179.01 3l8r h ALA 46 N 1.11 1.61 -0.13 3.43 0.00 -1.04 -2.44 119.26 121.80 3l8r h ALA 46 Ca 0.22 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3l8r h ALA 46 Cb 0.25 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3l8r h ALA 46 CO -0.01 0.29 0.07 -0.91 0.00 0.00 0.00 179.25 178.69 3l8r h ASN 47 N 0.31 0.11 -0.50 0.00 2.35 -1.32 0.30 115.58 116.83 3l8r h ASN 47 Ca 0.07 0.00 0.10 0.00 -0.55 0.00 0.00 56.30 55.92 3l8r h ASN 47 Cb 0.21 -0.02 -0.10 0.00 0.05 0.00 0.00 38.32 38.45 3l8r h ASN 47 CO 0.00 0.08 -0.30 0.44 -1.65 0.00 0.00 177.43 176.01 3l8r h ASP 48 N 0.15 -1.01 -0.06 5.81 3.32 -0.96 -0.41 116.42 123.26 3l8r h ASP 48 Ca 0.05 0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 3l8r h ASP 48 Cb -0.00 0.51 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 3l8r h ASP 48 CO -0.03 -0.29 0.01 -0.33 -1.72 0.00 0.00 179.24 176.88 3l8r h GLU 49 N -0.18 0.10 -0.83 3.56 4.39 -1.28 -3.25 114.58 117.09 3l8r h GLU 49 Ca 0.21 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.90 3l8r h GLU 49 Cb 0.53 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.12 3l8r h GLU 49 CO -0.60 0.32 0.55 1.25 -1.16 0.00 0.00 179.01 179.37 3l8r h LEU 50 N -0.14 0.94 -1.41 1.33 7.12 0.85 0.08 115.31 124.09 3l8r h LEU 50 Ca 0.02 -0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 3l8r h LEU 50 Cb 0.26 -0.23 -0.00 0.00 -0.53 0.00 0.00 40.66 40.16 3l8r h LEU 50 CO 0.00 0.68 -0.03 0.17 -0.13 0.00 0.00 178.44 179.12 3l8r h LEU 51 N 1.11 0.00 -0.22 2.25 -0.00 -1.16 0.27 115.31 117.56 3l8r h LEU 51 Ca 0.31 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 58.20 3l8r h LEU 51 Cb -0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.54 3l8r h LEU 51 CO -0.07 0.03 0.12 0.11 -0.00 0.00 0.00 178.44 178.63 3l8r h LYS 52 N 0.00 0.24 0.52 0.17 1.57 -1.05 0.21 116.57 118.22 3l8r h LYS 52 Ca -0.00 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3l8r h LYS 52 Cb 0.54 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.81 3l8r h LYS 52 CO 0.00 0.16 -0.25 0.00 -0.57 0.00 0.00 179.45 178.79 3l8r h ALA 53 N 1.11 -0.69 -0.83 3.86 0.00 -1.29 -1.89 119.26 119.52 3l8r h ALA 53 Ca 0.09 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.93 3l8r h ALA 53 Cb 0.01 0.27 -0.12 0.00 0.00 0.00 0.00 17.79 17.95 3l8r h ALA 53 CO -0.05 -0.86 -0.51 1.25 0.00 0.00 0.00 179.25 179.07 3l8r h HIS 54 N -0.75 -1.58 -0.98 0.00 6.17 -0.80 0.21 115.15 117.43 3l8r h HIS 54 Ca -0.07 0.11 0.15 0.00 0.71 0.00 0.00 60.37 61.26 3l8r h HIS 54 Cb 0.56 0.80 -0.09 0.00 2.52 0.00 0.00 27.41 31.20 3l8r h HIS 54 CO -0.03 -0.41 0.62 0.37 0.71 0.00 0.00 177.93 179.19 3l8r h GLN 55 N -0.10 0.83 -0.24 5.26 5.75 -0.59 0.25 115.11 126.27 3l8r h GLN 55 Ca 0.19 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.66 3l8r h GLN 55 Cb 0.51 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.85 3l8r h GLN 55 CO -0.85 0.55 0.08 0.00 -2.65 0.00 0.00 178.83 175.96 3l8r h ALA 56 N 1.58 0.26 -0.15 3.38 0.00 0.23 0.33 119.26 124.89 3l8r h ALA 56 Ca 0.51 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.45 3l8r h ALA 56 Cb 0.67 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3l8r h ALA 56 CO -0.28 -0.33 0.10 0.37 0.00 0.00 0.00 179.25 179.11 3l8r h GLN 57 N 0.19 0.20 -0.54 0.00 4.15 0.05 -2.25 115.11 116.90 3l8r h GLN 57 Ca 0.10 -0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.58 3l8r h GLN 57 Cb 0.07 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.65 3l8r h GLN 57 CO -0.10 0.13 0.23 1.15 -1.93 0.00 0.00 178.83 178.31 3l8r h THR 58 N 0.20 0.85 -0.65 2.39 2.02 -0.14 0.25 112.91 117.84 3l8r h THR 58 Ca 0.05 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 3l8r h THR 58 Cb -0.02 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 3l8r h THR 58 CO -0.01 0.08 0.35 0.44 0.37 0.00 0.00 175.52 176.74 3l8r h ASP 59 N 0.43 0.80 -0.42 4.18 3.32 -0.65 0.50 116.42 124.58 3l8r h ASP 59 Ca 0.26 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.18 3l8r h ASP 59 Cb 0.26 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3l8r h ASP 59 CO -0.24 0.65 -0.01 0.25 -1.72 0.00 0.00 179.24 178.17 3l8r h LEU 60 N 0.90 0.73 -0.54 1.55 5.85 -0.76 -1.25 115.31 121.80 3l8r h LEU 60 Ca 0.23 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 3l8r h LEU 60 Cb 0.03 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 3l8r h LEU 60 CO -0.04 0.87 0.09 -0.07 -0.34 0.00 0.00 178.44 178.96 3l8r h LEU 61 N 0.58 0.86 -0.64 2.25 3.38 0.76 -2.82 115.31 119.68 3l8r h LEU 61 Ca 0.12 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 57.88 3l8r h LEU 61 Cb 0.50 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 3l8r h LEU 61 CO 0.02 0.89 0.36 1.56 0.09 0.00 0.00 178.44 181.37 3l8r h GLN 62 N 0.78 0.67 -0.81 1.13 4.20 0.04 -0.76 115.11 120.36 3l8r h GLN 62 Ca 0.17 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3l8r h GLN 62 Cb 0.40 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.99 3l8r h GLN 62 CO 0.01 0.44 0.51 0.93 -0.67 0.00 0.00 178.83 180.05 3l8r h GLU 63 N 0.69 1.08 0.34 1.46 4.39 -1.12 -3.06 114.58 118.37 3l8r h GLU 63 Ca 0.28 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 3l8r h GLU 63 Cb 0.13 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 3l8r h GLU 63 CO -0.16 0.75 -0.17 -0.92 -1.16 0.00 0.00 179.01 177.35 3l8r h TYR 64 N 1.10 -0.43 -1.55 4.33 3.20 -1.27 -2.88 116.97 119.47 3l8r h TYR 64 Ca 0.29 -0.01 -0.44 0.00 3.14 0.00 0.00 58.73 61.71 3l8r h TYR 64 Cb -0.08 0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.29 3l8r h TYR 64 CO -0.01 -0.17 1.13 0.00 -1.64 0.00 0.00 178.16 177.47 3l8r s ALA 65 N -5.50 2.07 0.00 1.82 0.00 -0.31 -1.81 121.76 118.03 3l8r s ALA 65 Ca -0.15 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.74 3l8r s ALA 65 Cb 0.03 -4.40 0.00 0.00 0.00 0.00 0.00 23.12 18.76 3l8r s ALA 65 CO 0.60 -4.14 0.00 -1.13 0.00 0.00 0.00 175.76 171.09 3l8r n SER 66 N 12.72 0.00 0.00 0.00 3.41 -1.24 -4.69 113.62 123.81 3l8r n SER 66 Ca 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 3l8r n SER 66 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3l8r n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3l8r n GLY 67 N 0.00 1.55 3.68 5.00 0.00 -0.75 -5.09 105.19 109.58 3l8r n GLY 67 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3l8r n GLY 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3l8r s THR 68 N -1.65 3.29 0.13 2.61 -4.23 -1.11 -4.93 115.64 109.74 3l8r s THR 68 Ca 0.00 0.64 -0.30 0.00 -1.18 0.00 0.00 61.69 60.85 3l8r s THR 68 Cb 0.00 -3.41 -0.07 0.00 1.34 0.00 0.00 72.50 70.36 3l8r s THR 68 CO 0.00 -0.01 1.08 -1.61 -0.54 0.00 0.00 174.62 173.54 3l8r s GLU 69 N 2.92 4.58 -0.24 3.99 2.02 -1.26 -4.22 118.70 126.49 3l8r s GLU 69 Ca 0.72 1.65 0.02 0.00 0.02 0.00 0.00 54.97 57.39 3l8r s GLU 69 Cb -0.37 -3.32 0.05 0.00 0.10 0.00 0.00 34.13 30.59 3l8r s GLU 69 CO 0.31 0.03 -0.12 0.42 0.02 0.00 0.00 175.26 175.92 3l8r s ILE 70 N 0.14 2.01 -0.26 -1.63 1.01 -1.26 -5.08 121.20 116.14 3l8r s ILE 70 Ca 0.51 -1.39 -0.16 0.00 0.00 0.00 0.00 60.65 59.61 3l8r s ILE 70 Cb -0.28 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 3l8r s ILE 70 CO 0.32 0.08 0.41 -0.75 0.00 0.00 0.00 174.94 175.01 3l8r s LYS 71 N 1.20 4.05 0.00 2.79 2.36 -1.26 -5.02 119.74 123.86 3l8r s LYS 71 Ca -0.05 0.13 0.00 0.00 -2.55 0.00 0.00 55.97 53.50 3l8r s LYS 71 Cb -0.18 -3.64 0.00 0.00 -1.05 0.00 0.00 37.83 32.96 3l8r s LYS 71 CO -0.07 -0.27 0.00 -0.89 1.55 0.00 0.00 175.35 175.67 3l8r n ILE 72 N 5.04 0.00 0.00 5.43 2.08 -1.26 -5.04 119.36 125.61 3l8r n ILE 72 Ca -0.07 0.33 0.00 0.00 0.56 0.00 0.00 62.75 63.57 3l8r n ILE 72 Cb 0.50 -1.18 0.00 0.00 -0.75 0.00 0.00 39.64 38.21 3l8r n ILE 72 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 3l8r n GLU 73 N 0.00 0.00 0.20 0.38 4.07 -1.26 -4.56 120.64 119.47 3l8r n GLU 73 Ca 0.00 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.22 3l8r n GLU 73 Cb 0.00 0.00 0.69 0.00 -0.06 0.00 0.00 31.44 32.07 3l8r n GLU 73 CO 0.00 0.00 0.00 0.97 -0.06 0.00 0.00 177.13 178.04 3l8r h ILE 74 N 0.00 0.86 -0.13 6.31 2.10 -2.00 -1.57 117.51 123.08 3l8r h ILE 74 Ca 0.00 0.00 -0.17 0.00 1.08 0.00 0.00 64.86 65.77 3l8r h ILE 74 Cb 0.00 0.93 -0.01 0.00 -1.09 0.00 0.00 36.82 36.66 3l8r h ILE 74 CO 0.00 0.00 -0.62 0.16 -1.08 0.00 0.00 178.15 176.61 3l8r h ILE 75 N 0.00 1.35 0.34 2.19 3.07 -1.99 -0.61 117.51 121.87 3l8r h ILE 75 Ca 0.06 -1.93 -0.01 0.00 1.55 0.00 0.00 64.86 64.53 3l8r h ILE 75 Cb 0.25 1.91 -0.01 0.00 -0.27 0.00 0.00 36.82 38.70 3l8r h ILE 75 CO -0.00 0.59 -0.24 -0.03 -1.05 0.00 0.00 178.15 177.41 3l8r h MET 76 N 0.35 -0.56 -0.57 0.16 4.05 -1.53 0.73 114.93 117.57 3l8r h MET 76 Ca -0.01 0.04 0.11 0.00 -0.28 0.00 0.00 59.70 59.56 3l8r h MET 76 Cb 1.17 0.13 -0.11 0.00 -0.80 0.00 0.00 31.60 31.98 3l8r h MET 76 CO 0.11 -0.37 -0.22 0.28 0.23 0.00 0.00 176.91 176.94 3l8r h VAL 77 N -0.58 0.32 -0.65 -5.77 2.07 -1.42 0.23 116.25 110.45 3l8r h VAL 77 Ca -0.03 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 3l8r h VAL 77 Cb 0.49 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3l8r h VAL 77 CO 0.01 0.00 0.19 -0.74 0.02 0.00 0.00 177.57 177.05 3l8r h HIS 78 N -0.08 1.03 0.19 1.57 6.17 -0.91 0.12 115.15 123.24 3l8r h HIS 78 Ca 0.26 -0.10 0.01 0.00 0.71 0.00 0.00 60.37 61.25 3l8r h HIS 78 Cb 0.49 -0.30 -0.02 0.00 2.52 0.00 0.00 27.41 30.10 3l8r h HIS 78 CO -0.53 0.83 -0.21 0.00 0.71 0.00 0.00 177.93 178.73 3l8r h ALA 79 N 1.24 -0.41 -0.90 5.26 0.00 0.42 -1.85 119.26 123.03 3l8r h ALA 79 Ca 0.21 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.10 3l8r h ALA 79 Cb 0.30 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 3l8r h ALA 79 CO -0.01 -0.76 0.59 1.96 0.00 0.00 0.00 179.25 181.04 3l8r h GLN 80 N -0.43 1.08 -0.36 0.00 4.20 0.18 0.25 115.11 120.03 3l8r h GLN 80 Ca 0.00 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 3l8r h GLN 80 Cb 0.42 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 3l8r h GLN 80 CO -0.06 0.72 0.14 -0.44 -0.67 0.00 0.00 178.83 178.51 3l8r h ASP 81 N 1.11 0.51 -0.53 1.46 3.32 -0.64 -1.70 116.42 119.95 3l8r h ASP 81 Ca 0.36 -0.17 0.01 0.00 0.02 0.00 0.00 57.03 57.24 3l8r h ASP 81 Cb 0.04 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 3l8r h ASP 81 CO -0.11 0.54 0.35 -0.74 -1.72 0.00 0.00 179.24 177.56 3l8r h HIS 82 N 0.44 0.67 0.50 4.55 2.76 -0.23 -0.35 115.15 123.49 3l8r h HIS 82 Ca 0.12 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.29 3l8r h HIS 82 Cb 0.20 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 3l8r h HIS 82 CO -0.00 0.42 -0.42 1.25 -1.30 0.00 0.00 177.93 177.88 3l8r h LEU 83 N 0.72 -1.11 -1.04 0.26 6.46 -0.01 -1.42 115.31 119.17 3l8r h LEU 83 Ca 0.20 0.08 -0.09 0.00 -0.12 0.00 0.00 57.88 57.95 3l8r h LEU 83 Cb -0.07 0.35 -0.01 0.00 -0.73 0.00 0.00 40.66 40.19 3l8r h LEU 83 CO -0.05 -0.58 -0.28 0.24 -0.62 0.00 0.00 178.44 177.15 3l8r h MET 84 N -0.89 0.34 0.03 1.25 2.86 -1.24 0.61 114.93 117.89 3l8r h MET 84 Ca -0.07 -0.13 -0.22 0.00 -2.06 0.00 0.00 59.70 57.22 3l8r h MET 84 Cb 0.75 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 3l8r h MET 84 CO -0.00 0.60 -0.99 1.15 1.06 0.00 0.00 176.91 178.73 3l8r h THR 85 N 0.30 1.49 -0.31 2.22 2.02 -1.13 0.90 112.91 118.40 3l8r h THR 85 Ca 0.04 -2.75 -0.16 0.00 0.77 0.00 0.00 66.41 64.31 3l8r h THR 85 Cb 0.66 2.60 -0.00 0.00 -1.74 0.00 0.00 68.15 69.66 3l8r h THR 85 CO 0.05 0.80 -0.45 0.74 0.37 0.00 0.00 175.52 177.03 3l8r h THR 86 N 0.12 1.28 0.27 3.16 2.02 0.03 0.45 112.91 120.24 3l8r h THR 86 Ca -0.07 -1.64 -0.01 0.00 0.77 0.00 0.00 66.41 65.46 3l8r h THR 86 Cb 1.65 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 69.59 3l8r h THR 86 CO 0.16 0.54 -0.13 -0.03 0.37 0.00 0.00 175.52 176.42 3l8r h MET 87 N 0.65 -0.35 -0.78 6.66 -1.53 0.28 -0.89 114.93 118.97 3l8r h MET 87 Ca 0.04 0.02 0.03 0.00 -3.44 0.00 0.00 59.70 56.35 3l8r h MET 87 Cb 1.03 0.08 -0.04 0.00 -0.55 0.00 0.00 31.60 32.12 3l8r h MET 87 CO 0.10 -0.22 0.52 0.00 0.14 0.00 0.00 176.91 177.45 3l8r h THR 88 N -0.38 1.14 -0.94 -0.77 1.03 -0.76 -0.57 112.91 111.66 3l8r h THR 88 Ca -0.04 -0.34 0.11 0.00 -0.01 0.00 0.00 66.41 66.14 3l8r h THR 88 Cb 0.29 0.07 -0.08 0.00 -1.07 0.00 0.00 68.15 67.37 3l8r h THR 88 CO 0.06 0.18 0.57 0.25 -0.01 0.00 0.00 175.52 176.57 3l8r h LEU 89 N 0.98 0.83 -0.16 0.00 5.85 -0.54 -0.10 115.31 122.16 3l8r h LEU 89 Ca 0.31 0.05 -0.19 0.00 0.84 0.00 0.00 57.88 58.88 3l8r h LEU 89 Cb 0.01 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 40.94 3l8r h LEU 89 CO -0.09 0.45 -0.65 -0.09 -0.34 0.00 0.00 178.44 177.73 3l8r h ARG 90 N 0.92 0.72 -0.63 1.25 2.43 0.13 0.27 114.38 119.46 3l8r h ARG 90 Ca 0.46 -0.56 0.10 0.00 -0.81 0.00 0.00 59.98 59.17 3l8r h ARG 90 Cb 0.44 0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 30.02 3l8r h ARG 90 CO -0.26 1.18 0.24 0.93 -1.51 0.00 0.00 179.97 180.54 3l8r h GLU 91 N 0.42 0.40 -0.22 0.20 5.08 -0.78 0.35 114.58 120.04 3l8r h GLU 91 Ca -0.04 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3l8r h GLU 91 Cb 1.28 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 3l8r h GLU 91 CO 0.14 0.27 0.07 0.28 -1.00 0.00 0.00 179.01 178.76 3l8r h VAL 92 N 0.41 1.19 -0.62 3.13 2.07 -0.58 -2.83 116.25 119.03 3l8r h VAL 92 Ca 0.32 -0.60 0.10 0.00 0.82 0.00 0.00 66.70 67.33 3l8r h VAL 92 Cb 0.41 1.17 -0.07 0.00 -1.52 0.00 0.00 31.29 31.28 3l8r h VAL 92 CO -0.32 0.19 0.23 0.00 0.02 0.00 0.00 177.57 177.69 3l8r h ALA 93 N 0.89 0.80 0.01 1.67 0.00 0.93 -0.38 119.26 123.19 3l8r h ALA 93 Ca 0.07 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3l8r h ALA 93 Cb 0.23 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3l8r h ALA 93 CO -0.00 -0.19 -0.05 0.82 0.00 0.00 0.00 179.25 179.82 3l8r h ILE 94 N 0.41 0.00 -1.03 0.00 2.04 -0.92 -0.05 117.51 117.97 3l8r h ILE 94 Ca 0.31 0.00 0.35 0.00 1.00 0.00 0.00 64.86 66.52 3l8r h ILE 94 Cb 0.39 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.32 3l8r h ILE 94 CO -0.31 0.00 0.59 -0.33 0.00 0.00 0.00 178.15 178.10 3l8r h GLU 95 N -0.07 0.25 0.00 2.37 3.07 -1.16 0.61 114.58 119.64 3l8r h GLU 95 Ca 0.00 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.79 3l8r h GLU 95 Cb 0.07 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 3l8r h GLU 95 CO -0.03 0.16 -0.26 0.52 -1.40 0.00 0.00 179.01 178.01 3l8r h MET 96 N 0.26 0.00 -0.81 2.33 2.86 -0.41 -1.69 114.93 117.47 3l8r h MET 96 Ca 0.76 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 58.35 3l8r h MET 96 Cb 1.83 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.46 3l8r h MET 96 CO -0.61 0.26 0.34 1.25 1.06 0.00 0.00 176.91 179.21 3l8r h LEU 97 N 0.00 1.11 -0.65 1.22 6.46 0.21 -1.23 115.31 122.43 3l8r h LEU 97 Ca -0.00 -0.16 -0.10 0.00 -0.12 0.00 0.00 57.88 57.50 3l8r h LEU 97 Cb 0.77 -0.29 -0.02 0.00 -0.73 0.00 0.00 40.66 40.40 3l8r h LEU 97 CO 0.03 0.96 0.00 -0.08 -0.62 0.00 0.00 178.44 178.74 3l8r h GLU 98 N 1.18 1.05 0.65 1.25 4.57 -0.98 0.58 114.58 122.87 3l8r h GLU 98 Ca 0.27 -0.33 -0.03 0.00 -1.18 0.00 0.00 59.36 58.09 3l8r h GLU 98 Cb 0.19 -0.10 0.01 0.00 -0.16 0.00 0.00 28.75 28.69 3l8r h GLU 98 CO -0.03 1.02 -0.31 -0.07 -1.18 0.00 0.00 179.01 178.45 3l8r h LEU 99 N 0.96 -0.74 -0.79 1.64 3.38 -1.40 -3.18 115.31 115.18 3l8r h LEU 99 Ca 0.17 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.24 3l8r h LEU 99 Cb 0.55 0.19 -0.12 0.00 0.09 0.00 0.00 40.66 41.37 3l8r h LEU 99 CO 0.03 -0.43 -0.35 -1.22 0.09 0.00 0.00 178.44 176.55 3l8r n TYR 100 N -5.41 -0.08 0.00 1.13 4.01 -0.47 0.10 117.16 116.44 3l8r n TYR 100 Ca -0.13 0.98 0.00 0.00 -0.16 0.00 0.00 57.90 58.59 3l8r n TYR 100 Cb 0.37 -0.73 0.00 0.00 -0.31 0.00 0.00 39.34 38.67 3l8r n TYR 100 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3l8r n LYS 101 N -5.12 0.00 0.00 -0.72 5.02 0.15 -5.10 118.16 112.39 3l8r n LYS 101 Ca 0.06 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 3l8r n LYS 101 Cb 0.29 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 3l8r n LYS 101 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24