#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ge8 h LEU 4 N 0.00 1.01 -0.80 1.09 5.85 -2.05 -2.73 115.31 117.67 3ge8 h LEU 4 Ca 0.00 -0.22 -0.09 0.00 0.84 0.00 0.00 57.88 58.41 3ge8 h LEU 4 Cb 0.00 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 3ge8 h LEU 4 CO 0.00 0.96 -0.42 0.00 -0.34 0.00 0.00 178.44 178.63 3ge8 h ALA 5 N 1.09 0.94 0.12 1.25 0.00 -2.05 0.19 119.26 120.80 3ge8 h ALA 5 Ca 0.22 -0.39 -0.30 0.00 0.00 0.00 0.00 54.91 54.44 3ge8 h ALA 5 Cb 0.32 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.07 3ge8 h ALA 5 CO -0.00 0.53 -1.24 -0.44 0.00 0.00 0.00 179.25 178.10 3ge8 h ASP 6 N 0.00 0.87 0.33 0.00 3.32 -1.98 -1.18 116.42 117.78 3ge8 h ASP 6 Ca -0.00 -0.80 -0.20 0.00 0.02 0.00 0.00 57.03 56.05 3ge8 h ASP 6 Cb 0.99 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.26 3ge8 h ASP 6 CO 0.06 1.61 -0.80 1.56 -1.72 0.00 0.00 179.24 179.94 3ge8 h GLN 7 N 0.28 0.37 -0.69 3.56 4.20 -1.31 0.16 115.11 121.68 3ge8 h GLN 7 Ca -0.19 -0.34 -0.07 0.00 0.06 0.00 0.00 58.65 58.12 3ge8 h GLN 7 Cb 1.91 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 29.74 3ge8 h GLN 7 CO 0.24 1.00 0.17 0.00 -0.67 0.00 0.00 178.83 179.57 3ge8 h ALA 8 N 0.90 1.00 0.09 3.87 0.00 -0.87 -3.17 119.26 121.07 3ge8 h ALA 8 Ca -0.04 -0.24 -0.26 0.00 0.00 0.00 0.00 54.91 54.36 3ge8 h ALA 8 Cb 1.40 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.93 3ge8 h ALA 8 CO 0.14 0.65 -1.15 1.25 0.00 0.00 0.00 179.25 180.14 3ge8 h LEU 9 N 1.04 0.49 -6.52 0.00 5.85 -1.02 -3.36 115.31 111.79 3ge8 h LEU 9 Ca 0.22 -0.48 -0.73 0.00 0.84 0.00 0.00 57.88 57.73 3ge8 h LEU 9 Cb 0.35 -0.16 -0.11 0.00 0.37 0.00 0.00 40.66 41.12 3ge8 h LEU 9 CO 0.00 1.33 2.35 1.41 -0.34 0.00 0.00 178.44 183.20 3ge8 n HIS 10 N -3.62 3.46 -4.28 1.25 8.25 0.54 -4.88 115.22 115.94 3ge8 n HIS 10 Ca -0.08 -2.91 -0.16 0.00 -0.26 0.00 0.00 57.72 54.30 3ge8 n HIS 10 Cb 0.96 -2.23 -0.10 0.00 1.12 0.00 0.00 29.99 29.74 3ge8 n HIS 10 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3ge8 s ASN 11 N 2.09 2.07 -0.27 0.41 2.20 -1.26 -4.85 114.94 115.33 3ge8 s ASN 11 Ca 0.43 -0.98 0.08 0.00 -0.94 0.00 0.00 52.86 51.46 3ge8 s ASN 11 Cb 0.10 -0.06 0.45 0.00 -2.00 0.00 0.00 41.25 39.74 3ge8 s ASN 11 CO -0.02 -0.25 1.20 0.59 -2.94 0.00 0.00 177.10 175.68 3ge8 n ASN 12 N -0.12 4.06 -4.72 3.54 3.02 -1.26 -4.59 115.26 115.19 3ge8 n ASN 12 Ca -0.10 -3.77 -0.40 0.00 -0.03 0.00 0.00 54.58 50.27 3ge8 n ASN 12 Cb 0.60 -0.39 -0.04 0.00 -0.61 0.00 0.00 39.78 39.34 3ge8 n ASN 12 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3ge8 s ASN 13 N -3.50 7.14 0.10 6.41 0.02 -1.26 -0.70 114.94 123.15 3ge8 s ASN 13 Ca 0.47 1.38 0.04 0.00 -1.02 0.00 0.00 52.86 53.73 3ge8 s ASN 13 Cb 0.40 -2.47 -0.04 0.00 0.02 0.00 0.00 41.25 39.16 3ge8 s ASN 13 CO 0.01 -0.15 -0.10 0.68 0.02 0.00 0.00 177.10 177.56 3ge8 s VAL 14 N 0.76 0.98 0.00 1.60 -7.23 -0.26 -4.37 120.40 111.87 3ge8 s VAL 14 Ca 0.42 -1.69 0.00 0.00 -1.81 0.00 0.00 61.98 58.90 3ge8 s VAL 14 Cb -0.19 -1.43 0.00 0.00 0.56 0.00 0.00 36.38 35.32 3ge8 s VAL 14 CO 0.22 -0.58 0.00 0.61 -0.31 0.00 0.00 175.10 175.04 3ge8 n GLY 15 N 0.46 1.81 3.82 2.32 0.00 0.09 -1.14 105.19 112.55 3ge8 n GLY 15 Ca -0.15 -1.83 -0.33 0.00 0.00 0.00 0.00 46.02 43.70 3ge8 n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ge8 s PRO 16 N -1.42 4.20 -0.37 1.61 0.04 -1.10 -1.39 135.00 136.58 3ge8 s PRO 16 Ca 0.00 0.99 -0.08 0.00 0.04 0.00 0.00 61.00 61.95 3ge8 s PRO 16 Cb 0.00 -2.37 0.04 0.00 0.04 0.00 0.00 34.50 32.22 3ge8 s PRO 16 CO 0.00 0.09 0.17 0.42 0.04 0.00 0.00 177.00 177.71 3ge8 s ILE 17 N -2.02 4.11 -0.20 0.56 1.09 -0.09 -1.80 121.20 122.85 3ge8 s ILE 17 Ca 0.57 -1.11 -0.10 0.00 -1.10 0.00 0.00 60.65 58.91 3ge8 s ILE 17 Cb -0.11 -3.36 -0.05 0.00 -1.06 0.00 0.00 42.46 37.88 3ge8 s ILE 17 CO 0.16 -0.27 0.13 -0.63 -0.10 0.00 0.00 174.94 174.23 3ge8 s ILE 18 N 1.45 5.39 0.49 2.92 -1.09 0.07 -0.49 121.20 129.94 3ge8 s ILE 18 Ca 0.00 0.18 -0.17 0.00 -2.23 0.00 0.00 60.65 58.43 3ge8 s ILE 18 Cb -0.20 -3.46 -0.09 0.00 -1.58 0.00 0.00 42.46 37.14 3ge8 s ILE 18 CO 0.04 0.44 0.96 0.00 -1.23 0.00 0.00 174.94 175.15 3ge8 s ARG 19 N 0.35 4.00 -0.05 2.79 1.70 -0.40 -0.02 118.95 127.32 3ge8 s ARG 19 Ca 0.08 0.96 -0.40 0.00 -0.47 0.00 0.00 55.73 55.91 3ge8 s ARG 19 Cb -0.11 -2.16 -0.18 0.00 -0.57 0.00 0.00 34.95 31.92 3ge8 s ARG 19 CO -0.02 -0.20 1.31 0.00 -1.08 0.00 0.00 175.30 175.31 3ge8 n ALA 20 N -1.34 -2.02 0.00 7.88 0.00 -0.07 -4.65 120.51 120.32 3ge8 n ALA 20 Ca 0.06 0.53 0.00 0.00 0.00 0.00 0.00 53.44 54.04 3ge8 n ALA 20 Cb 0.54 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.04 3ge8 n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ge8 n GLY 21 N 2.46 -0.69 0.17 0.00 0.00 -1.26 -4.96 105.19 100.91 3ge8 n GLY 21 Ca 0.21 -1.17 0.14 0.00 0.00 0.00 0.00 46.02 45.20 3ge8 n GLY 21 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ge8 n ASP 22 N 0.80 0.51 -0.03 1.61 3.85 -1.26 -3.48 116.55 118.54 3ge8 n ASP 22 Ca 0.00 -1.27 0.11 0.00 -0.71 0.00 0.00 54.79 52.92 3ge8 n ASP 22 Cb 0.00 -0.01 0.10 0.00 -1.35 0.00 0.00 41.12 39.86 3ge8 n ASP 22 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3ge8 n LEU 23 N -0.55 0.78 0.39 -2.12 7.99 -1.26 -4.51 117.00 117.72 3ge8 n LEU 23 Ca 0.20 -0.24 -0.15 0.00 -0.01 0.00 0.00 56.01 55.81 3ge8 n LEU 23 Cb 0.18 -0.13 -0.07 0.00 -0.11 0.00 0.00 43.42 43.28 3ge8 n LEU 23 CO 0.16 0.19 0.51 0.58 -1.51 0.00 0.00 177.39 177.32 3ge8 h VAL 24 N 0.15 0.00 -0.57 4.08 2.07 -1.82 -0.72 116.25 119.44 3ge8 h VAL 24 Ca 0.00 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 3ge8 h VAL 24 Cb 0.51 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3ge8 h VAL 24 CO 0.00 0.00 0.13 -0.33 0.02 0.00 0.00 177.57 177.39 3ge8 h GLU 25 N -1.02 0.92 0.00 1.57 4.39 -1.85 -1.91 114.58 116.69 3ge8 h GLU 25 Ca -0.10 -0.23 -0.02 0.00 0.34 0.00 0.00 59.36 59.35 3ge8 h GLU 25 Cb 0.76 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.29 3ge8 h GLU 25 CO 0.17 0.86 -0.11 -1.35 -1.16 0.00 0.00 179.01 177.42 3ge8 h PRO 26 N 0.82 0.00 -0.03 2.33 0.11 -1.78 -0.55 132.00 132.91 3ge8 h PRO 26 Ca 0.18 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.15 3ge8 h PRO 26 Cb 0.36 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.48 3ge8 h PRO 26 CO 0.00 0.11 -0.52 0.28 -0.21 0.00 0.00 178.00 177.66 3ge8 h VAL 27 N 0.00 1.43 -0.30 3.15 2.07 -0.50 -0.09 116.25 122.00 3ge8 h VAL 27 Ca -0.00 -1.98 0.07 0.00 0.82 0.00 0.00 66.70 65.61 3ge8 h VAL 27 Cb 0.21 2.51 -0.07 0.00 -1.52 0.00 0.00 31.29 32.42 3ge8 h VAL 27 CO 0.01 0.58 -0.19 0.40 0.02 0.00 0.00 177.57 178.39 3ge8 h ILE 28 N -0.10 0.46 -0.56 4.57 2.04 -1.25 0.32 117.51 122.99 3ge8 h ILE 28 Ca -0.06 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.74 3ge8 h ILE 28 Cb 1.22 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 3ge8 h ILE 28 CO 0.10 0.00 0.10 -0.33 0.00 0.00 0.00 178.15 178.03 3ge8 h GLU 29 N -0.16 0.89 -0.45 2.37 5.08 -1.11 -1.00 114.58 120.20 3ge8 h GLU 29 Ca 0.16 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 3ge8 h GLU 29 Cb 0.40 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3ge8 h GLU 29 CO -0.40 0.82 -0.18 1.15 -1.00 0.00 0.00 179.01 179.39 3ge8 h THR 30 N 0.84 1.27 -0.14 1.13 2.02 -0.57 -2.32 112.91 115.14 3ge8 h THR 30 Ca 0.18 -1.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.04 3ge8 h THR 30 Cb 0.35 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 3ge8 h THR 30 CO 0.01 0.45 0.08 0.00 0.37 0.00 0.00 175.52 176.42 3ge8 h ALA 31 N 1.01 0.18 -0.45 6.16 0.00 0.78 -1.18 119.26 125.75 3ge8 h ALA 31 Ca 0.11 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.06 3ge8 h ALA 31 Cb 0.72 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.38 3ge8 h ALA 31 CO 0.06 -0.30 -0.04 0.93 0.00 0.00 0.00 179.25 179.90 3ge8 h GLU 32 N 0.14 0.07 -0.20 0.00 5.08 -1.15 -2.75 114.58 115.77 3ge8 h GLU 32 Ca 0.05 -0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.23 3ge8 h GLU 32 Cb 0.06 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3ge8 h GLU 32 CO -0.01 0.05 -0.56 0.82 -1.00 0.00 0.00 179.01 178.31 3ge8 h ILE 33 N 0.07 1.30 -0.00 3.13 2.04 -1.20 -3.26 117.51 119.60 3ge8 h ILE 33 Ca 0.23 -1.78 0.00 0.00 1.00 0.00 0.00 64.86 64.31 3ge8 h ILE 33 Cb 0.34 1.87 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 3ge8 h ILE 33 CO -0.41 0.56 -0.11 0.47 0.00 0.00 0.00 178.15 178.66 3ge8 n ASP 34 N -4.09 0.39 -3.09 1.72 8.00 -0.47 -4.09 116.55 114.93 3ge8 n ASP 34 Ca -0.06 -0.44 -0.23 0.00 0.71 0.00 0.00 54.79 54.77 3ge8 n ASP 34 Cb 0.63 -0.11 -0.04 0.00 -0.02 0.00 0.00 41.12 41.58 3ge8 n ASP 34 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ge8 n ASN 35 N -1.06 2.77 -4.76 -2.24 3.02 -1.04 -4.74 115.26 107.21 3ge8 n ASN 35 Ca 0.13 -3.35 -0.38 0.00 -0.03 0.00 0.00 54.58 50.95 3ge8 n ASN 35 Cb 0.28 -0.60 0.01 0.00 -0.61 0.00 0.00 39.78 38.86 3ge8 n ASN 35 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3ge8 s PRO 36 N -2.87 3.63 -1.33 3.52 0.04 -1.25 -1.42 135.00 135.32 3ge8 s PRO 36 Ca 0.44 2.08 -0.00 0.00 0.04 0.00 0.00 61.00 63.56 3ge8 s PRO 36 Cb 0.29 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 32.34 3ge8 s PRO 36 CO -0.11 -0.74 0.01 0.41 0.04 0.00 0.00 177.00 176.61 3ge8 n GLY 37 N 0.61 -0.27 3.12 0.56 0.00 -1.26 -5.02 105.19 102.93 3ge8 n GLY 37 Ca 0.07 -0.23 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 3ge8 n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ge8 s LYS 38 N -4.80 0.97 -0.10 1.61 -0.14 -0.51 -5.11 119.74 111.66 3ge8 s LYS 38 Ca 0.01 -0.62 -0.30 0.00 -1.36 0.00 0.00 55.97 53.69 3ge8 s LYS 38 Cb -0.00 -0.96 -0.02 0.00 -1.68 0.00 0.00 37.83 35.17 3ge8 s LYS 38 CO 0.01 0.25 1.16 -1.21 -0.76 0.00 0.00 175.35 174.79 3ge8 s GLU 39 N -0.77 4.34 -0.31 1.68 2.02 -1.26 -5.00 118.70 119.39 3ge8 s GLU 39 Ca 0.03 1.58 -0.16 0.00 0.02 0.00 0.00 54.97 56.44 3ge8 s GLU 39 Cb -0.07 -3.60 -0.02 0.00 0.10 0.00 0.00 34.13 30.55 3ge8 s GLU 39 CO 0.00 -0.49 0.43 0.42 0.02 0.00 0.00 175.26 175.65 3ge8 s ILE 40 N 2.51 5.11 0.33 -1.63 -1.09 -1.26 -4.50 121.20 120.66 3ge8 s ILE 40 Ca 0.53 0.38 -0.05 0.00 -2.23 0.00 0.00 60.65 59.29 3ge8 s ILE 40 Cb -0.22 -3.83 -0.05 0.00 -1.58 0.00 0.00 42.46 36.78 3ge8 s ILE 40 CO 0.18 -0.04 0.59 0.42 -1.23 0.00 0.00 174.94 174.86 3ge8 s THR 41 N 2.19 5.01 -0.04 2.92 -4.23 -0.10 -4.93 115.64 116.44 3ge8 s THR 41 Ca 0.16 0.03 -0.02 0.00 -1.18 0.00 0.00 61.69 60.69 3ge8 s THR 41 Cb -0.16 -3.77 0.03 0.00 1.34 0.00 0.00 72.50 69.95 3ge8 s THR 41 CO 0.11 -0.43 0.07 -0.69 -0.54 0.00 0.00 174.62 173.15 3ge8 s VAL 42 N -2.21 -0.11 -0.20 2.29 1.01 -1.26 -1.86 120.40 118.06 3ge8 s VAL 42 Ca 0.44 0.37 -0.00 0.00 0.00 0.00 0.00 61.98 62.79 3ge8 s VAL 42 Cb -0.10 -0.15 0.01 0.00 0.00 0.00 0.00 36.38 36.13 3ge8 s VAL 42 CO 0.32 0.15 -0.15 -1.61 0.00 0.00 0.00 175.10 173.82 3ge8 s GLU 43 N 1.91 3.08 -0.27 2.72 2.02 0.71 -4.96 118.70 123.92 3ge8 s GLU 43 Ca 0.01 -0.79 -0.10 0.00 0.02 0.00 0.00 54.97 54.11 3ge8 s GLU 43 Cb -0.12 -2.71 -0.05 0.00 0.10 0.00 0.00 34.13 31.35 3ge8 s GLU 43 CO -0.03 -0.22 0.16 0.34 0.02 0.00 0.00 175.26 175.53 3ge8 s ASP 44 N 1.34 5.84 -0.23 -0.19 3.68 -1.26 -1.19 116.67 124.66 3ge8 s ASP 44 Ca 0.05 -0.04 0.12 0.00 2.13 0.00 0.00 52.55 54.81 3ge8 s ASP 44 Cb -0.14 -2.08 0.45 0.00 -1.45 0.00 0.00 42.92 39.71 3ge8 s ASP 44 CO -0.10 -0.04 1.34 0.54 0.13 0.00 0.00 175.17 177.05 3ge8 n ARG 45 N 4.98 1.86 0.00 4.34 5.12 0.29 -4.98 116.66 128.26 3ge8 n ARG 45 Ca -0.15 -3.06 0.00 0.00 -1.93 0.00 0.00 57.85 52.71 3ge8 n ARG 45 Cb 0.52 -1.72 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 3ge8 n ARG 45 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3ge8 n ARG 46 N -1.08 0.00 0.27 5.56 0.63 -1.26 -3.94 116.66 116.84 3ge8 n ARG 46 Ca 0.25 0.00 0.16 0.00 -0.92 0.00 0.00 57.85 57.34 3ge8 n ARG 46 Cb 0.86 0.00 0.67 0.00 0.45 0.00 0.00 32.46 34.44 3ge8 n ARG 46 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3ge8 h ALA 47 N 0.00 1.02 -2.99 5.13 0.00 -1.96 -3.41 119.26 117.05 3ge8 h ALA 47 Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3ge8 h ALA 47 Cb 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.70 3ge8 h ALA 47 CO 0.00 0.06 0.21 1.52 0.00 0.00 0.00 179.25 181.04 3ge8 s TYR 48 N -3.71 -0.32 -0.05 0.00 -0.85 -1.25 -0.89 117.35 110.28 3ge8 s TYR 48 Ca 0.01 -0.03 0.02 0.00 -0.52 0.00 0.00 57.07 56.54 3ge8 s TYR 48 Cb 0.10 0.63 0.02 0.00 0.38 0.00 0.00 41.96 43.08 3ge8 s TYR 48 CO 0.56 -1.07 -0.07 0.08 -1.52 0.00 0.00 175.55 173.53 3ge8 s VAL 49 N -3.85 0.73 -0.35 -3.49 1.01 0.97 -0.55 120.40 114.88 3ge8 s VAL 49 Ca 0.07 -0.26 -0.14 0.00 0.00 0.00 0.00 61.98 61.66 3ge8 s VAL 49 Cb -0.04 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 3ge8 s VAL 49 CO -0.01 0.26 0.27 -0.60 0.00 0.00 0.00 175.10 175.02 3ge8 s ARG 50 N 0.72 3.44 -0.15 2.72 3.52 -0.33 -0.75 118.95 128.12 3ge8 s ARG 50 Ca -0.11 -0.66 0.01 0.00 -0.13 0.00 0.00 55.73 54.84 3ge8 s ARG 50 Cb -0.14 -3.83 0.00 0.00 -1.56 0.00 0.00 34.95 29.42 3ge8 s ARG 50 CO 0.01 -0.50 -0.18 0.42 -0.81 0.00 0.00 175.30 174.25 3ge8 s ILE 51 N 1.77 2.44 0.06 4.11 1.01 -0.74 -0.20 121.20 129.65 3ge8 s ILE 51 Ca 0.07 -0.85 -0.09 0.00 0.00 0.00 0.00 60.65 59.78 3ge8 s ILE 51 Cb -0.17 -2.01 0.00 0.00 0.01 0.00 0.00 42.46 40.29 3ge8 s ILE 51 CO 0.11 0.53 0.20 0.00 0.00 0.00 0.00 174.94 175.77 3ge8 s ALA 52 N 0.78 -0.31 0.26 9.38 0.00 -0.78 -2.70 121.76 128.40 3ge8 s ALA 52 Ca -0.07 -0.44 0.02 0.00 0.00 0.00 0.00 51.96 51.47 3ge8 s ALA 52 Cb -0.16 0.39 -0.05 0.00 0.00 0.00 0.00 23.12 23.30 3ge8 s ALA 52 CO -0.00 -0.44 0.08 0.00 0.00 0.00 0.00 175.76 175.40 3ge8 s ALA 53 N -3.23 1.78 -0.18 0.00 0.00 -0.29 -0.93 121.76 118.91 3ge8 s ALA 53 Ca 0.00 -1.87 -0.26 0.00 0.00 0.00 0.00 51.96 49.83 3ge8 s ALA 53 Cb 0.02 0.95 -0.01 0.00 0.00 0.00 0.00 23.12 24.08 3ge8 s ALA 53 CO -0.08 -0.42 0.87 -2.00 0.00 0.00 0.00 175.76 174.13 3ge8 s GLU 54 N -4.00 4.29 0.00 0.00 2.12 -1.26 -1.11 118.70 118.74 3ge8 s GLU 54 Ca 0.36 1.07 0.00 0.00 0.36 0.00 0.00 54.97 56.77 3ge8 s GLU 54 Cb 0.08 -3.58 0.00 0.00 0.26 0.00 0.00 34.13 30.88 3ge8 s GLU 54 CO 0.13 -0.37 0.00 0.41 -0.54 0.00 0.00 175.26 174.89 3ge8 n GLY 55 N 3.44 1.58 3.24 -1.50 0.00 0.12 -4.83 105.19 107.25 3ge8 n GLY 55 Ca 0.06 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 3ge8 n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ge8 s GLU 56 N 0.00 0.40 -0.06 1.61 2.12 -1.26 -2.13 118.70 119.38 3ge8 s GLU 56 Ca 0.00 0.61 -0.02 0.00 0.36 0.00 0.00 54.97 55.91 3ge8 s GLU 56 Cb 0.00 0.10 0.04 0.00 0.26 0.00 0.00 34.13 34.52 3ge8 s GLU 56 CO 0.00 -0.10 0.07 -1.17 -0.54 0.00 0.00 175.26 173.53 3ge8 s LEU 57 N 0.71 0.14 -0.11 2.70 0.20 0.35 -4.75 118.68 117.92 3ge8 s LEU 57 Ca -0.04 0.03 -0.03 0.00 0.69 0.00 0.00 54.13 54.78 3ge8 s LEU 57 Cb -0.05 -0.10 -0.03 0.00 -0.43 0.00 0.00 46.19 45.57 3ge8 s LEU 57 CO -0.05 -0.26 0.01 -0.63 -0.29 0.00 0.00 176.35 175.13 3ge8 s ILE 58 N 2.18 4.32 -0.20 6.68 -1.09 -1.26 -1.08 121.20 130.75 3ge8 s ILE 58 Ca 0.05 -0.23 0.01 0.00 -2.23 0.00 0.00 60.65 58.24 3ge8 s ILE 58 Cb -0.12 -2.85 0.04 0.00 -1.58 0.00 0.00 42.46 37.95 3ge8 s ILE 58 CO -0.04 0.57 -0.11 -0.76 -1.23 0.00 0.00 174.94 173.37 3ge8 s LEU 59 N -0.51 2.32 0.26 2.97 1.43 -0.17 -4.62 118.68 120.36 3ge8 s LEU 59 Ca 0.09 -0.89 -0.04 0.00 -1.03 0.00 0.00 54.13 52.26 3ge8 s LEU 59 Cb -0.12 -1.27 -0.05 0.00 0.03 0.00 0.00 46.19 44.78 3ge8 s LEU 59 CO 0.02 -0.13 0.51 0.42 0.23 0.00 0.00 176.35 177.40 3ge8 s THR 60 N 1.37 5.07 0.13 5.49 -4.23 -1.26 -1.11 115.64 121.10 3ge8 s THR 60 Ca -0.01 -0.02 -0.16 0.00 -1.18 0.00 0.00 61.69 60.33 3ge8 s THR 60 Cb -0.16 -3.72 -0.00 0.00 1.34 0.00 0.00 72.50 69.96 3ge8 s THR 60 CO -0.08 -0.26 1.67 -0.09 -0.54 0.00 0.00 174.62 175.32 3ge8 h ARG 61 N 1.86 0.62 -0.06 3.99 2.43 -0.91 -1.69 114.38 120.61 3ge8 h ARG 61 Ca -0.48 -0.12 0.02 0.00 -0.81 0.00 0.00 59.98 58.60 3ge8 h ARG 61 Cb 1.19 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.62 3ge8 h ARG 61 CO 0.67 0.59 -0.08 -0.22 -1.51 0.00 0.00 179.97 179.42 3ge8 h LYS 62 N 0.51 -0.10 -0.54 0.20 3.64 -1.93 0.11 116.57 118.46 3ge8 h LYS 62 Ca 0.13 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.48 3ge8 h LYS 62 Cb 0.21 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 3ge8 h LYS 62 CO -0.01 -0.07 0.17 1.15 -2.27 0.00 0.00 179.45 178.42 3ge8 h THR 63 N -0.11 1.23 -0.62 1.00 2.02 -1.93 -1.71 112.91 112.80 3ge8 h THR 63 Ca 0.05 -0.79 0.01 0.00 0.77 0.00 0.00 66.41 66.46 3ge8 h THR 63 Cb 0.18 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 3ge8 h THR 63 CO -0.13 0.29 0.41 0.25 0.37 0.00 0.00 175.52 176.71 3ge8 h LEU 64 N 0.74 0.69 -1.04 2.58 5.85 -1.06 -0.04 115.31 123.03 3ge8 h LEU 64 Ca 0.17 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 3ge8 h LEU 64 Cb 0.28 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3ge8 h LEU 64 CO -0.01 0.50 0.21 -0.08 -0.34 0.00 0.00 178.44 178.72 3ge8 h GLU 65 N 0.82 0.90 -0.49 1.25 4.81 -0.61 0.16 114.58 121.42 3ge8 h GLU 65 Ca 0.23 -0.16 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 3ge8 h GLU 65 Cb -0.07 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 3ge8 h GLU 65 CO -0.06 0.76 -0.06 1.49 -0.73 0.00 0.00 179.01 180.40 3ge8 h GLU 66 N 0.87 0.91 0.00 1.92 4.57 -0.72 -1.64 114.58 120.48 3ge8 h GLU 66 Ca 0.20 -0.32 -0.18 0.00 -1.18 0.00 0.00 59.36 57.88 3ge8 h GLU 66 Cb 0.22 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 3ge8 h GLU 66 CO -0.01 0.97 -0.85 1.96 -1.18 0.00 0.00 179.01 179.89 3ge8 h GLN 67 N 0.76 0.00 -0.37 1.92 1.08 -0.59 -3.27 115.11 114.64 3ge8 h GLN 67 Ca 0.13 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.17 3ge8 h GLN 67 Cb 0.60 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.03 3ge8 h GLN 67 CO 0.04 0.85 -0.41 1.25 -0.95 0.00 0.00 178.83 179.61 3ge8 h LEU 68 N 0.00 1.00 0.00 1.46 5.85 -0.65 -3.43 115.31 119.54 3ge8 h LEU 68 Ca -0.01 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3ge8 h LEU 68 Cb 1.58 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.33 3ge8 h LEU 68 CO 0.11 1.27 0.00 0.61 -0.34 0.00 0.00 178.44 180.09 3ge8 n GLY 69 N 0.16 0.92 3.40 3.75 0.00 -0.62 -5.07 105.19 107.73 3ge8 n GLY 69 Ca -0.02 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 3ge8 n GLY 69 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ge8 s ARG 70 N -0.72 1.22 0.43 1.61 1.70 -1.22 -5.08 118.95 116.89 3ge8 s ARG 70 Ca 0.00 -0.48 -0.25 0.00 -0.47 0.00 0.00 55.73 54.53 3ge8 s ARG 70 Cb 0.00 0.56 -0.09 0.00 -0.57 0.00 0.00 34.95 34.85 3ge8 s ARG 70 CO 0.00 -0.52 1.33 -2.30 -1.08 0.00 0.00 175.30 172.73 3ge8 n PRO 71 N -0.27 2.05 -3.67 3.89 -0.02 -1.26 -4.78 135.00 130.94 3ge8 n PRO 71 Ca -0.17 0.73 -0.09 0.00 -2.02 0.00 0.00 63.50 61.95 3ge8 n PRO 71 Cb 0.64 -2.47 -0.09 0.00 -0.02 0.00 0.00 33.50 31.56 3ge8 n PRO 71 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3ge8 s PHE 72 N -1.19 -0.78 0.00 6.00 5.36 -1.26 -5.09 117.98 121.02 3ge8 s PHE 72 Ca 0.61 1.53 -0.02 0.00 -0.96 0.00 0.00 56.93 58.09 3ge8 s PHE 72 Cb -0.49 0.34 -0.04 0.00 -0.34 0.00 0.00 43.02 42.49 3ge8 s PHE 72 CO 0.58 -0.45 0.17 -0.80 -1.46 0.00 0.00 175.22 173.26 3ge8 s ASN 73 N 2.16 6.24 0.26 6.13 0.01 -1.26 -4.87 114.94 123.62 3ge8 s ASN 73 Ca -0.05 0.29 -0.03 0.00 -0.71 0.00 0.00 52.86 52.36 3ge8 s ASN 73 Cb -0.10 -1.93 0.38 0.00 0.41 0.00 0.00 41.25 40.01 3ge8 s ASN 73 CO -0.14 0.25 1.88 -0.03 -1.51 0.00 0.00 177.10 177.55 3ge8 h MET 74 N 3.73 1.12 -0.93 -0.60 4.05 -1.89 -2.05 114.93 118.35 3ge8 h MET 74 Ca -0.48 -0.07 0.25 0.00 -0.28 0.00 0.00 59.70 59.12 3ge8 h MET 74 Cb 1.18 -0.25 -0.05 0.00 -0.80 0.00 0.00 31.60 31.68 3ge8 h MET 74 CO 0.69 0.74 0.64 0.37 0.23 0.00 0.00 176.91 179.58 3ge8 h GLN 75 N 1.15 0.17 0.00 0.39 5.75 -1.91 -1.41 115.11 119.25 3ge8 h GLN 75 Ca 0.42 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.90 3ge8 h GLN 75 Cb 0.14 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.65 3ge8 h GLN 75 CO -0.16 0.11 -0.01 0.93 -2.65 0.00 0.00 178.83 177.05 3ge8 h GLU 76 N 0.18 0.00 -0.46 1.69 5.08 -1.79 -2.40 114.58 116.88 3ge8 h GLU 76 Ca 0.47 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.96 3ge8 h GLU 76 Cb 1.54 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.77 3ge8 h GLU 76 CO -0.10 0.01 0.37 1.25 -1.00 0.00 0.00 179.01 179.54 3ge8 h LEU 77 N 0.00 0.00 -0.64 1.33 5.85 -1.41 -2.04 115.31 118.40 3ge8 h LEU 77 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3ge8 h LEU 77 Cb 0.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3ge8 h LEU 77 CO 0.00 0.00 0.00 -1.84 -0.34 0.00 0.00 178.44 176.26 3ge8 n GLU 78 N -4.18 0.15 0.28 1.25 0.28 -0.90 -0.94 120.64 116.58 3ge8 n GLU 78 Ca 0.08 0.42 0.13 0.00 -0.16 0.00 0.00 57.16 57.63 3ge8 n GLU 78 Cb 0.57 -1.81 0.82 0.00 1.43 0.00 0.00 31.44 32.45 3ge8 n GLU 78 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 3ge8 h ILE 79 N 0.00 0.66 0.00 3.84 2.04 -1.61 -3.31 117.51 119.13 3ge8 h ILE 79 Ca 0.00 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3ge8 h ILE 79 Cb 0.30 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 3ge8 h ILE 79 CO 0.00 0.03 -0.17 0.59 0.00 0.00 0.00 178.15 178.60 3ge8 n ASN 80 N -3.98 0.86 -4.56 1.72 3.02 -0.33 -4.94 115.26 107.05 3ge8 n ASN 80 Ca -0.03 -0.28 -0.40 0.00 -0.03 0.00 0.00 54.58 53.83 3ge8 n ASN 80 Cb 0.11 0.74 -0.03 0.00 -0.61 0.00 0.00 39.78 39.99 3ge8 n ASN 80 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3ge8 s LEU 81 N -1.65 3.34 0.12 3.41 2.96 -0.12 -1.27 118.68 125.47 3ge8 s LEU 81 Ca 0.00 -0.94 0.09 0.00 -0.22 0.00 0.00 54.13 53.06 3ge8 s LEU 81 Cb 0.00 -2.56 -0.17 0.00 0.50 0.00 0.00 46.19 43.95 3ge8 s LEU 81 CO 0.00 -1.72 1.21 0.00 -1.32 0.00 0.00 176.35 174.51 3ge8 h ALA 82 N 10.12 0.46 -2.56 5.97 0.00 -1.11 -3.47 119.26 128.68 3ge8 h ALA 82 Ca -0.02 -0.92 0.03 0.00 0.00 0.00 0.00 54.91 53.99 3ge8 h ALA 82 Cb 1.03 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3ge8 h ALA 82 CO 1.35 1.20 0.27 0.45 0.00 0.00 0.00 179.25 182.53 3ge8 n SER 83 N -3.28 -1.50 -3.55 0.00 2.88 -1.08 -5.01 113.62 102.09 3ge8 n SER 83 Ca -0.02 -1.97 -0.14 0.00 -1.33 0.00 0.00 58.87 55.41 3ge8 n SER 83 Cb 0.92 2.48 -0.06 0.00 -0.75 0.00 0.00 64.21 66.81 3ge8 n SER 83 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3ge8 s PHE 84 N -3.83 -0.53 -0.08 0.66 -0.12 -1.26 -0.91 117.98 111.90 3ge8 s PHE 84 Ca 0.13 0.93 -0.11 0.00 -0.05 0.00 0.00 56.93 57.84 3ge8 s PHE 84 Cb -0.03 0.42 -0.05 0.00 -0.63 0.00 0.00 43.02 42.74 3ge8 s PHE 84 CO 0.07 -0.48 0.26 0.00 -0.05 0.00 0.00 175.22 175.02 3ge8 s ALA 85 N -1.08 3.77 0.00 1.99 0.00 -0.49 -4.96 121.76 121.00 3ge8 s ALA 85 Ca -0.06 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.43 3ge8 s ALA 85 Cb -0.00 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 20.94 3ge8 s ALA 85 CO 0.06 0.49 0.00 0.41 0.00 0.00 0.00 175.76 176.72 3ge8 n GLY 86 N 2.14 0.46 3.89 0.00 0.00 -1.26 -0.73 105.19 109.68 3ge8 n GLY 86 Ca -0.17 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 43.45 3ge8 n GLY 86 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ge8 s GLN 87 N -1.04 3.60 0.05 1.61 -0.21 0.13 -4.80 119.66 119.01 3ge8 s GLN 87 Ca 0.00 0.41 0.08 0.00 0.02 0.00 0.00 55.36 55.87 3ge8 s GLN 87 Cb 0.00 -2.29 -0.03 0.00 1.00 0.00 0.00 33.01 31.69 3ge8 s GLN 87 CO 0.00 -0.28 -0.24 -1.50 -2.12 0.00 0.00 175.29 171.15 3ge8 s ILE 88 N -2.81 1.93 -0.12 1.08 2.07 -1.26 -1.86 121.20 120.23 3ge8 s ILE 88 Ca 0.50 -1.34 -0.03 0.00 -1.41 0.00 0.00 60.65 58.38 3ge8 s ILE 88 Cb -0.10 -1.67 0.05 0.00 0.13 0.00 0.00 42.46 40.86 3ge8 s ILE 88 CO 0.45 0.27 0.05 -1.58 -1.91 0.00 0.00 174.94 172.22 3ge8 s GLN 89 N -1.28 0.24 -0.07 3.50 0.74 -0.48 -5.01 119.66 117.29 3ge8 s GLN 89 Ca 0.10 0.01 0.04 0.00 0.05 0.00 0.00 55.36 55.56 3ge8 s GLN 89 Cb -0.09 -1.38 0.00 0.00 1.10 0.00 0.00 33.01 32.64 3ge8 s GLN 89 CO 0.02 -0.51 -0.19 0.00 -0.55 0.00 0.00 175.29 174.06 3ge8 s ALA 90 N 2.06 1.78 0.00 1.58 0.00 -1.26 -1.08 121.76 124.84 3ge8 s ALA 90 Ca 0.03 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.22 3ge8 s ALA 90 Cb -0.14 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.31 3ge8 s ALA 90 CO -0.07 0.26 0.00 -0.40 0.00 0.00 0.00 175.76 175.55 3ge8 n ASP 91 N 3.45 0.04 0.26 0.00 3.85 -0.52 -5.02 116.55 118.60 3ge8 n ASP 91 Ca -0.20 -0.61 0.15 0.00 -0.71 0.00 0.00 54.79 53.42 3ge8 n ASP 91 Cb 0.52 0.00 0.61 0.00 -1.35 0.00 0.00 41.12 40.91 3ge8 n ASP 91 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 3ge8 h GLU 92 N 0.00 0.00 0.00 0.11 4.11 -1.99 -3.23 114.58 113.57 3ge8 h GLU 92 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 3ge8 h GLU 92 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3ge8 h GLU 92 CO 0.00 0.08 -1.80 -0.25 0.07 0.00 0.00 179.01 177.11 3ge8 n ASP 93 N -3.21 1.16 -3.61 3.06 8.00 -1.26 -4.38 116.55 116.32 3ge8 n ASP 93 Ca 0.00 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.44 3ge8 n ASP 93 Cb 0.34 1.67 -0.02 0.00 -0.02 0.00 0.00 41.12 43.10 3ge8 n ASP 93 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ge8 s GLN 94 N -3.08 0.93 -0.00 -1.24 -2.07 -1.22 -0.21 119.66 112.77 3ge8 s GLN 94 Ca -0.06 -0.43 0.08 0.00 -1.82 0.00 0.00 55.36 53.12 3ge8 s GLN 94 Cb 0.10 0.37 -0.02 0.00 -1.09 0.00 0.00 33.01 32.37 3ge8 s GLN 94 CO 0.69 -0.42 -0.24 -1.50 -1.32 0.00 0.00 175.29 172.51 3ge8 s ILE 95 N -3.13 1.89 -0.13 3.63 2.07 -0.26 -1.44 121.20 123.82 3ge8 s ILE 95 Ca 0.08 -1.08 0.01 0.00 -1.41 0.00 0.00 60.65 58.26 3ge8 s ILE 95 Cb -0.01 -1.58 0.02 0.00 0.13 0.00 0.00 42.46 41.02 3ge8 s ILE 95 CO -0.04 0.48 -0.15 -0.60 -1.91 0.00 0.00 174.94 172.72 3ge8 s ARG 96 N -0.70 2.29 -0.17 3.50 3.52 -0.24 -1.00 118.95 126.14 3ge8 s ARG 96 Ca 0.09 -0.57 -0.08 0.00 -0.13 0.00 0.00 55.73 55.05 3ge8 s ARG 96 Cb -0.09 -2.02 -0.04 0.00 -1.56 0.00 0.00 34.95 31.24 3ge8 s ARG 96 CO -0.00 -0.15 0.08 -0.06 -0.81 0.00 0.00 175.30 174.36 3ge8 s PHE 97 N 1.23 3.32 0.09 5.12 0.40 -0.24 -1.38 117.98 126.51 3ge8 s PHE 97 Ca -0.01 0.19 -0.25 0.00 -0.60 0.00 0.00 56.93 56.26 3ge8 s PHE 97 Cb -0.14 -2.06 0.07 0.00 0.51 0.00 0.00 43.02 41.40 3ge8 s PHE 97 CO -0.06 0.27 0.61 1.52 0.70 0.00 0.00 175.22 178.26 3ge8 s TYR 98 N 0.13 -0.56 0.03 0.36 -0.85 -0.78 -0.50 117.35 115.19 3ge8 s TYR 98 Ca 0.06 0.57 0.07 0.00 -0.52 0.00 0.00 57.07 57.25 3ge8 s TYR 98 Cb -0.12 0.49 -0.03 0.00 0.38 0.00 0.00 41.96 42.68 3ge8 s TYR 98 CO 0.00 -0.76 -0.19 -0.06 -1.52 0.00 0.00 175.55 173.02 3ge8 s PHE 99 N -2.90 2.54 0.08 -3.49 0.08 -0.90 0.20 117.98 113.59 3ge8 s PHE 99 Ca -0.03 -0.27 0.11 0.00 0.12 0.00 0.00 56.93 56.86 3ge8 s PHE 99 Cb -0.01 -1.47 0.03 0.00 -0.57 0.00 0.00 43.02 41.00 3ge8 s PHE 99 CO -0.05 0.22 1.41 -0.44 -0.10 0.00 0.00 175.22 176.26 3ge8 h ASP 100 N 4.67 0.00 -2.69 1.36 3.32 -2.00 -3.47 116.42 117.61 3ge8 h ASP 100 Ca -0.47 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.00 3ge8 h ASP 100 Cb 1.15 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.62 3ge8 h ASP 100 CO 0.47 0.76 -0.61 -0.54 -1.72 0.00 0.00 179.24 177.61 3ge8 s LYS 101 N -2.99 2.65 -0.23 3.56 1.02 -1.26 -5.10 119.74 117.39 3ge8 s LYS 101 Ca 0.01 -1.02 -0.05 0.00 0.02 0.00 0.00 55.97 54.92 3ge8 s LYS 101 Cb 0.10 -2.48 -0.02 0.00 -0.52 0.00 0.00 37.83 34.91 3ge8 s LYS 101 CO 0.78 0.46 0.01 0.99 -0.92 0.00 0.00 175.35 176.67 3ge8 s THR 102 N -1.82 3.86 -1.59 2.17 2.01 -1.26 -5.01 115.64 114.00 3ge8 s THR 102 Ca 0.30 -0.33 0.13 0.00 0.31 0.00 0.00 61.69 62.09 3ge8 s THR 102 Cb -0.09 -2.77 0.10 0.00 0.01 0.00 0.00 72.50 69.74 3ge8 s THR 102 CO 0.21 0.39 0.90 0.23 -0.69 0.00 0.00 174.62 175.67