#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ge8 h THR 3 N 0.00 0.94 -0.13 2.46 2.02 -2.04 -0.46 112.91 115.69 3ge8 h THR 3 Ca 0.00 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.07 3ge8 h THR 3 Cb 0.00 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 3ge8 h THR 3 CO 0.00 0.07 -0.02 0.25 0.37 0.00 0.00 175.52 176.19 3ge8 h LEU 4 N 0.39 -0.09 -0.39 2.58 5.85 -2.05 -0.14 115.31 121.45 3ge8 h LEU 4 Ca 0.19 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 3ge8 h LEU 4 Cb 0.12 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3ge8 h LEU 4 CO -0.15 -0.03 0.19 0.00 -0.34 0.00 0.00 178.44 178.11 3ge8 h ALA 5 N 1.12 0.51 -0.59 1.25 0.00 -1.95 0.12 119.26 119.72 3ge8 h ALA 5 Ca 0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3ge8 h ALA 5 Cb 0.09 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3ge8 h ALA 5 CO -0.12 0.07 0.28 -0.44 0.00 0.00 0.00 179.25 179.04 3ge8 h ASP 6 N 0.50 0.78 -0.47 0.00 3.32 -0.87 0.12 116.42 119.79 3ge8 h ASP 6 Ca 0.14 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3ge8 h ASP 6 Cb 0.11 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3ge8 h ASP 6 CO -0.02 0.70 0.23 1.56 -1.72 0.00 0.00 179.24 179.99 3ge8 h GLN 7 N 0.81 0.67 -0.49 3.56 4.20 -0.72 -0.13 115.11 123.00 3ge8 h GLN 7 Ca 0.20 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 3ge8 h GLN 7 Cb 0.13 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 3ge8 h GLN 7 CO -0.02 0.56 0.27 0.00 -0.67 0.00 0.00 178.83 178.97 3ge8 h ALA 8 N 1.08 1.55 0.23 3.87 0.00 -0.04 -3.05 119.26 122.90 3ge8 h ALA 8 Ca 0.16 -0.08 -0.33 0.00 0.00 0.00 0.00 54.91 54.66 3ge8 h ALA 8 Cb 0.11 -0.20 0.03 0.00 0.00 0.00 0.00 17.79 17.72 3ge8 h ALA 8 CO -0.02 0.38 -1.48 1.25 0.00 0.00 0.00 179.25 179.38 3ge8 h LEU 9 N 0.68 0.76 -5.99 0.00 5.85 -0.23 -3.35 115.31 113.04 3ge8 h LEU 9 Ca 0.18 -0.84 -0.72 0.00 0.84 0.00 0.00 57.88 57.34 3ge8 h LEU 9 Cb 0.02 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 40.73 3ge8 h LEU 9 CO -0.03 1.66 2.89 1.41 -0.34 0.00 0.00 178.44 184.04 3ge8 n HIS 10 N -3.67 3.20 -4.45 1.25 8.25 -0.11 -4.86 115.22 114.83 3ge8 n HIS 10 Ca -0.16 -2.93 -0.23 0.00 -0.26 0.00 0.00 57.72 54.14 3ge8 n HIS 10 Cb 1.09 -2.35 -0.10 0.00 1.12 0.00 0.00 29.99 29.75 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 2.32 3.27 -0.22 0.41 2.20 -1.26 -4.92 114.94 116.75 3ge8 s ASN 11 Ca 0.48 -1.08 0.12 0.00 -0.94 0.00 0.00 52.86 51.44 3ge8 s ASN 11 Cb 0.14 -0.25 0.44 0.00 -2.00 0.00 0.00 41.25 39.57 3ge8 s ASN 11 CO -0.06 -0.10 1.20 0.59 -2.94 0.00 0.00 177.10 175.79 3ge8 n ASN 12 N -0.59 2.66 -4.69 3.54 3.02 -1.26 -4.62 115.26 113.32 3ge8 n ASN 12 Ca -0.06 -3.53 -0.42 0.00 -0.03 0.00 0.00 54.58 50.54 3ge8 n ASN 12 Cb 0.61 -0.44 -0.03 0.00 -0.61 0.00 0.00 39.78 39.31 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 -3.26 7.14 0.11 6.41 0.01 -1.26 -0.06 114.94 124.02 3ge8 s ASN 13 Ca 0.41 1.70 0.06 0.00 -0.71 0.00 0.00 52.86 54.32 3ge8 s ASN 13 Cb 0.38 -2.56 -0.04 0.00 0.41 0.00 0.00 41.25 39.45 3ge8 s ASN 13 CO -0.04 -0.52 -0.15 0.68 -1.51 0.00 0.00 177.10 175.56 3ge8 s VAL 14 N 2.07 1.32 0.00 1.60 -7.23 0.19 -4.42 120.40 113.93 3ge8 s VAL 14 Ca 0.53 -1.61 0.00 0.00 -1.81 0.00 0.00 61.98 59.09 3ge8 s VAL 14 Cb -0.22 -1.43 0.00 0.00 0.56 0.00 0.00 36.38 35.29 3ge8 s VAL 14 CO 0.21 -0.34 0.00 0.61 -0.31 0.00 0.00 175.10 175.27 3ge8 n GLY 15 N 0.75 1.18 3.83 2.32 0.00 -0.57 -1.67 105.19 111.03 3ge8 n GLY 15 Ca -0.17 -1.69 -0.33 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.52 4.17 -0.34 1.61 0.04 -1.15 -1.38 135.00 136.43 3ge8 s PRO 16 Ca 0.00 1.01 -0.10 0.00 0.04 0.00 0.00 61.00 61.95 3ge8 s PRO 16 Cb 0.00 -2.24 0.02 0.00 0.04 0.00 0.00 34.50 32.31 3ge8 s PRO 16 CO 0.00 0.02 0.17 0.42 0.04 0.00 0.00 177.00 177.65 3ge8 s ILE 17 N -2.13 4.47 -0.22 0.56 1.09 0.47 -1.62 121.20 123.81 3ge8 s ILE 17 Ca 0.60 -0.73 -0.09 0.00 -1.10 0.00 0.00 60.65 59.33 3ge8 s ILE 17 Cb -0.09 -3.41 -0.04 0.00 -1.06 0.00 0.00 42.46 37.85 3ge8 s ILE 17 CO 0.14 -0.11 0.11 -0.63 -0.10 0.00 0.00 174.94 174.35 3ge8 s ILE 18 N 1.56 4.95 0.61 2.92 -1.09 0.07 -1.10 121.20 129.12 3ge8 s ILE 18 Ca 0.03 0.03 -0.15 0.00 -2.23 0.00 0.00 60.65 58.33 3ge8 s ILE 18 Cb -0.18 -3.28 -0.03 0.00 -1.58 0.00 0.00 42.46 37.39 3ge8 s ILE 18 CO 0.06 0.39 1.05 0.00 -1.23 0.00 0.00 174.94 175.21 3ge8 s ARG 19 N 0.87 3.28 0.13 2.79 1.70 -0.12 -0.65 118.95 126.95 3ge8 s ARG 19 Ca 0.05 1.13 -0.35 0.00 -0.47 0.00 0.00 55.73 56.09 3ge8 s ARG 19 Cb -0.13 -2.03 -0.15 0.00 -0.57 0.00 0.00 34.95 32.07 3ge8 s ARG 19 CO 0.03 -0.83 1.47 0.00 -1.08 0.00 0.00 175.30 174.88 3ge8 n ALA 20 N -2.24 0.33 0.00 7.88 0.00 -0.18 -4.62 120.51 121.68 3ge8 n ALA 20 Ca 0.08 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.00 3ge8 n ALA 20 Cb 0.53 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.75 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 3.00 -1.37 0.00 0.00 0.00 -1.26 -4.97 105.19 100.58 3ge8 n GLY 21 Ca 0.17 -1.26 0.10 0.00 0.00 0.00 0.00 46.02 45.04 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 3.00 0.00 -0.07 1.61 3.85 -1.26 -3.19 116.55 120.48 3ge8 n ASP 22 Ca 0.00 -1.25 0.11 0.00 -0.71 0.00 0.00 54.79 52.94 3ge8 n ASP 22 Cb 0.00 0.00 0.01 0.00 -1.35 0.00 0.00 41.12 39.78 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 -0.84 1.00 0.20 -2.12 7.99 -1.26 -4.53 117.00 117.44 3ge8 n LEU 23 Ca 0.15 -0.39 -0.15 0.00 -0.01 0.00 0.00 56.01 55.61 3ge8 n LEU 23 Cb 0.07 -0.07 -0.07 0.00 -0.11 0.00 0.00 43.42 43.24 3ge8 n LEU 23 CO 0.12 0.23 0.63 0.58 -1.51 0.00 0.00 177.39 177.44 3ge8 h VAL 24 N 0.36 0.28 -0.12 4.08 2.07 -1.80 -1.48 116.25 119.64 3ge8 h VAL 24 Ca 0.00 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.29 3ge8 h VAL 24 Cb 0.53 0.28 0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3ge8 h VAL 24 CO 0.00 0.00 -0.83 -0.33 0.02 0.00 0.00 177.57 176.43 3ge8 h GLU 25 N -0.69 0.75 0.00 1.57 4.39 -1.84 -1.95 114.58 116.81 3ge8 h GLU 25 Ca -0.01 -0.65 -0.06 0.00 0.34 0.00 0.00 59.36 58.99 3ge8 h GLU 25 Cb 0.64 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 3ge8 h GLU 25 CO -0.09 1.25 -0.27 -1.35 -1.16 0.00 0.00 179.01 177.39 3ge8 h PRO 26 N 0.49 0.00 -0.02 2.33 0.11 -1.79 0.04 132.00 133.16 3ge8 h PRO 26 Ca -0.07 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.90 3ge8 h PRO 26 Cb 1.46 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.58 3ge8 h PRO 26 CO 0.17 0.27 -0.53 0.28 -0.21 0.00 0.00 178.00 177.97 3ge8 h VAL 27 N 0.00 1.43 -0.41 3.15 2.07 -1.04 -0.29 116.25 121.15 3ge8 h VAL 27 Ca -0.00 -1.99 0.09 0.00 0.82 0.00 0.00 66.70 65.61 3ge8 h VAL 27 Cb 0.51 2.52 -0.09 0.00 -1.52 0.00 0.00 31.29 32.70 3ge8 h VAL 27 CO 0.03 0.58 -0.24 0.40 0.02 0.00 0.00 177.57 178.36 3ge8 h ILE 28 N -0.10 0.34 -0.61 4.57 2.04 -1.17 0.36 117.51 122.94 3ge8 h ILE 28 Ca -0.06 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.72 3ge8 h ILE 28 Cb 1.23 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 3ge8 h ILE 28 CO 0.11 0.00 0.06 -0.33 0.00 0.00 0.00 178.15 177.99 3ge8 h GLU 29 N -0.17 1.02 -0.52 2.37 5.08 -0.98 -1.84 114.58 119.55 3ge8 h GLU 29 Ca 0.20 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 3ge8 h GLU 29 Cb 0.47 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3ge8 h GLU 29 CO -0.51 0.96 0.11 1.15 -1.00 0.00 0.00 179.01 179.72 3ge8 h THR 30 N 0.95 1.25 -0.61 1.13 2.02 -0.48 -1.63 112.91 115.54 3ge8 h THR 30 Ca 0.18 -0.89 0.09 0.00 0.77 0.00 0.00 66.41 66.56 3ge8 h THR 30 Cb 0.46 0.83 -0.07 0.00 -1.74 0.00 0.00 68.15 67.64 3ge8 h THR 30 CO 0.02 0.32 0.26 0.00 0.37 0.00 0.00 175.52 176.49 3ge8 h ALA 31 N 0.99 0.80 -0.62 6.16 0.00 0.36 -0.25 119.26 126.70 3ge8 h ALA 31 Ca 0.16 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 3ge8 h ALA 31 Cb 0.36 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3ge8 h ALA 31 CO 0.01 -0.15 0.03 0.93 0.00 0.00 0.00 179.25 180.07 3ge8 h GLU 32 N 0.46 1.08 -0.17 0.00 5.08 -1.06 -2.73 114.58 117.24 3ge8 h GLU 32 Ca 0.30 -0.33 -0.19 0.00 -1.00 0.00 0.00 59.36 58.14 3ge8 h GLU 32 Cb 0.34 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.49 3ge8 h GLU 32 CO -0.28 1.04 -0.65 0.82 -1.00 0.00 0.00 179.01 178.94 3ge8 h ILE 33 N 0.99 1.30 -0.01 3.13 2.04 -0.86 -3.25 117.51 120.84 3ge8 h ILE 33 Ca 0.18 -1.88 0.00 0.00 1.00 0.00 0.00 64.86 64.17 3ge8 h ILE 33 Cb 0.53 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 3ge8 h ILE 33 CO 0.03 0.59 -0.03 0.47 0.00 0.00 0.00 178.15 179.20 3ge8 n ASP 34 N -4.04 1.10 -2.88 1.72 8.00 -0.14 -3.98 116.55 116.33 3ge8 n ASP 34 Ca -0.07 -1.28 -0.21 0.00 0.71 0.00 0.00 54.79 53.94 3ge8 n ASP 34 Cb 0.68 0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.77 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 -0.21 2.76 -4.72 -2.24 3.02 -1.03 -4.69 115.26 108.14 3ge8 n ASN 35 Ca 0.19 -3.28 -0.43 0.00 -0.03 0.00 0.00 54.58 51.03 3ge8 n ASN 35 Cb 0.30 -0.55 -0.01 0.00 -0.61 0.00 0.00 39.78 38.91 3ge8 n ASN 35 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3ge8 n PRO 36 N -0.09 2.39 0.00 3.52 -0.04 -1.25 -1.47 135.00 138.06 3ge8 n PRO 36 Ca 0.26 0.84 0.00 0.00 -0.04 0.00 0.00 63.50 64.57 3ge8 n PRO 36 Cb 0.61 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 3ge8 n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ge8 n GLY 37 N 1.47 2.92 3.80 0.55 0.00 -1.26 -4.99 105.19 107.67 3ge8 n GLY 37 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.18 4.41 -0.01 1.61 -0.14 -0.54 -5.06 119.74 119.83 3ge8 s LYS 38 Ca 0.00 1.05 -0.30 0.00 -1.36 0.00 0.00 55.97 55.36 3ge8 s LYS 38 Cb 0.00 -2.96 -0.04 0.00 -1.68 0.00 0.00 37.83 33.15 3ge8 s LYS 38 CO 0.00 0.42 1.16 -2.00 -0.76 0.00 0.00 175.35 174.17 3ge8 s GLU 39 N -1.77 4.41 -0.19 1.68 2.12 -1.26 -4.98 118.70 118.72 3ge8 s GLU 39 Ca 0.43 1.66 -0.08 0.00 0.36 0.00 0.00 54.97 57.34 3ge8 s GLU 39 Cb -0.19 -3.47 -0.04 0.00 0.26 0.00 0.00 34.13 30.69 3ge8 s GLU 39 CO 0.23 -0.32 0.09 0.42 -0.54 0.00 0.00 175.26 175.13 3ge8 s ILE 40 N 1.64 5.01 0.10 -3.70 -1.09 -1.26 -4.51 121.20 117.38 3ge8 s ILE 40 Ca 0.56 0.05 0.06 0.00 -2.23 0.00 0.00 60.65 59.08 3ge8 s ILE 40 Cb -0.26 -3.26 -0.04 0.00 -1.58 0.00 0.00 42.46 37.32 3ge8 s ILE 40 CO 0.25 0.46 -0.04 0.42 -1.23 0.00 0.00 174.94 174.80 3ge8 s THR 41 N 0.31 3.78 -0.05 2.92 -4.23 -0.29 -4.98 115.64 113.11 3ge8 s THR 41 Ca 0.05 -1.10 -0.02 0.00 -1.18 0.00 0.00 61.69 59.44 3ge8 s THR 41 Cb -0.12 -2.79 0.03 0.00 1.34 0.00 0.00 72.50 70.96 3ge8 s THR 41 CO -0.01 0.11 0.09 -0.69 -0.54 0.00 0.00 174.62 173.58 3ge8 s VAL 42 N -1.29 -0.12 -0.18 2.29 1.01 -1.26 -1.24 120.40 119.61 3ge8 s VAL 42 Ca 0.24 0.32 -0.01 0.00 0.00 0.00 0.00 61.98 62.53 3ge8 s VAL 42 Cb -0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 36.38 36.09 3ge8 s VAL 42 CO 0.17 0.13 -0.12 -1.61 0.00 0.00 0.00 175.10 173.67 3ge8 s GLU 43 N 1.76 3.25 -0.35 2.72 2.02 0.02 -4.97 118.70 123.15 3ge8 s GLU 43 Ca -0.01 -0.71 -0.13 0.00 0.02 0.00 0.00 54.97 54.14 3ge8 s GLU 43 Cb -0.12 -2.76 -0.01 0.00 0.10 0.00 0.00 34.13 31.33 3ge8 s GLU 43 CO -0.04 -0.09 0.24 0.34 0.02 0.00 0.00 175.26 175.74 3ge8 s ASP 44 N 1.10 6.06 -0.21 -0.19 3.68 -1.26 -0.71 116.67 125.14 3ge8 s ASP 44 Ca 0.00 -0.46 0.15 0.00 2.13 0.00 0.00 52.55 54.37 3ge8 s ASP 44 Cb -0.14 -2.14 0.49 0.00 -1.45 0.00 0.00 42.92 39.67 3ge8 s ASP 44 CO -0.03 -0.25 1.39 0.54 0.13 0.00 0.00 175.17 176.95 3ge8 n ARG 45 N 5.11 2.33 0.00 4.34 5.12 0.03 -4.99 116.66 128.60 3ge8 n ARG 45 Ca -0.12 -2.92 0.00 0.00 -1.93 0.00 0.00 57.85 52.88 3ge8 n ARG 45 Cb 0.49 -1.78 0.00 0.00 -1.16 0.00 0.00 32.46 30.01 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 -0.85 0.00 0.21 5.56 0.63 -1.26 -3.97 116.66 116.98 3ge8 n ARG 46 Ca 0.24 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.31 3ge8 n ARG 46 Cb 0.90 0.00 0.38 0.00 0.45 0.00 0.00 32.46 34.19 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 1.00 -2.98 5.13 0.00 -1.96 -3.41 119.26 117.04 3ge8 h ALA 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ge8 h ALA 47 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.69 3ge8 h ALA 47 CO 0.00 0.00 0.18 1.52 0.00 0.00 0.00 179.25 180.95 3ge8 s TYR 48 N -3.33 -0.40 -0.07 0.00 -0.85 -1.26 -1.01 117.35 110.43 3ge8 s TYR 48 Ca 0.06 0.11 0.02 0.00 -0.52 0.00 0.00 57.07 56.74 3ge8 s TYR 48 Cb 0.08 0.57 0.01 0.00 0.38 0.00 0.00 41.96 43.00 3ge8 s TYR 48 CO 0.60 -0.95 -0.12 0.08 -1.52 0.00 0.00 175.55 173.64 3ge8 s VAL 49 N -3.81 1.13 -0.33 -3.49 1.01 0.18 -0.79 120.40 114.30 3ge8 s VAL 49 Ca 0.04 -0.48 -0.17 0.00 0.00 0.00 0.00 61.98 61.38 3ge8 s VAL 49 Cb -0.02 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 3ge8 s VAL 49 CO -0.07 0.36 0.44 -0.60 0.00 0.00 0.00 175.10 175.23 3ge8 s ARG 50 N 0.68 3.69 -0.14 2.72 3.52 0.11 -0.75 118.95 128.77 3ge8 s ARG 50 Ca -0.14 -0.18 -0.00 0.00 -0.13 0.00 0.00 55.73 55.27 3ge8 s ARG 50 Cb -0.16 -3.77 -0.01 0.00 -1.56 0.00 0.00 34.95 29.45 3ge8 s ARG 50 CO 0.04 -0.53 -0.13 0.42 -0.81 0.00 0.00 175.30 174.28 3ge8 s ILE 51 N 2.22 2.94 0.04 4.11 1.01 -0.64 -0.80 121.20 130.08 3ge8 s ILE 51 Ca 0.16 -0.69 -0.05 0.00 0.00 0.00 0.00 60.65 60.07 3ge8 s ILE 51 Cb -0.16 -2.24 -0.01 0.00 0.01 0.00 0.00 42.46 40.06 3ge8 s ILE 51 CO 0.12 0.52 0.09 0.00 0.00 0.00 0.00 174.94 175.67 3ge8 s ALA 52 N 0.54 -0.05 0.23 9.38 0.00 -0.38 -2.91 121.76 128.56 3ge8 s ALA 52 Ca -0.09 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.31 3ge8 s ALA 52 Cb -0.16 0.25 -0.05 0.00 0.00 0.00 0.00 23.12 23.16 3ge8 s ALA 52 CO 0.04 -0.31 0.11 0.00 0.00 0.00 0.00 175.76 175.59 3ge8 s ALA 53 N -2.60 1.45 -0.19 0.00 0.00 -0.67 -1.13 121.76 118.62 3ge8 s ALA 53 Ca -0.05 -1.78 -0.29 0.00 0.00 0.00 0.00 51.96 49.84 3ge8 s ALA 53 Cb -0.01 1.19 -0.01 0.00 0.00 0.00 0.00 23.12 24.29 3ge8 s ALA 53 CO -0.05 -0.52 1.30 -1.21 0.00 0.00 0.00 175.76 175.28 3ge8 s GLU 54 N -4.09 4.15 0.00 0.00 0.41 -1.26 -0.64 118.70 117.27 3ge8 s GLU 54 Ca 0.38 1.60 0.00 0.00 -0.41 0.00 0.00 54.97 56.54 3ge8 s GLU 54 Cb 0.07 -3.80 0.00 0.00 -1.78 0.00 0.00 34.13 28.62 3ge8 s GLU 54 CO 0.13 -0.81 0.00 0.41 -0.49 0.00 0.00 175.26 174.49 3ge8 n GLY 55 N 3.80 1.26 3.51 -1.39 0.00 0.91 -4.81 105.19 108.47 3ge8 n GLY 55 Ca 0.14 -0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 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 0.79 -0.14 1.61 2.12 -1.26 -2.14 118.70 119.68 3ge8 s GLU 56 Ca 0.00 0.69 -0.04 0.00 0.36 0.00 0.00 54.97 55.98 3ge8 s GLU 56 Cb 0.00 0.38 0.07 0.00 0.26 0.00 0.00 34.13 34.84 3ge8 s GLU 56 CO 0.00 -0.14 0.23 -1.17 -0.54 0.00 0.00 175.26 173.64 3ge8 s LEU 57 N -0.05 -0.20 -0.14 2.70 0.20 -0.19 -4.74 118.68 116.25 3ge8 s LEU 57 Ca -0.03 0.33 -0.07 0.00 0.69 0.00 0.00 54.13 55.05 3ge8 s LEU 57 Cb -0.04 0.52 -0.04 0.00 -0.43 0.00 0.00 46.19 46.20 3ge8 s LEU 57 CO 0.03 -0.26 0.09 -0.63 -0.29 0.00 0.00 176.35 175.29 3ge8 s ILE 58 N 2.37 5.11 -0.23 6.68 -1.09 -1.26 -0.86 121.20 131.92 3ge8 s ILE 58 Ca 0.03 0.07 0.02 0.00 -2.23 0.00 0.00 60.65 58.54 3ge8 s ILE 58 Cb -0.13 -3.25 0.05 0.00 -1.58 0.00 0.00 42.46 37.55 3ge8 s ILE 58 CO -0.09 0.55 -0.12 -0.76 -1.23 0.00 0.00 174.94 173.29 3ge8 s LEU 59 N -0.45 2.88 0.24 2.97 1.43 0.22 -4.62 118.68 121.34 3ge8 s LEU 59 Ca 0.11 -1.13 -0.10 0.00 -1.03 0.00 0.00 54.13 51.98 3ge8 s LEU 59 Cb -0.12 -1.44 -0.07 0.00 0.03 0.00 0.00 46.19 44.59 3ge8 s LEU 59 CO 0.02 -0.15 0.56 0.42 0.23 0.00 0.00 176.35 177.43 3ge8 s THR 60 N 1.22 4.92 0.25 5.49 -4.23 -1.26 -0.12 115.64 121.92 3ge8 s THR 60 Ca -0.04 0.48 -0.04 0.00 -1.18 0.00 0.00 61.69 60.90 3ge8 s THR 60 Cb -0.18 -3.62 0.18 0.00 1.34 0.00 0.00 72.50 70.22 3ge8 s THR 60 CO -0.07 -0.09 1.83 -0.09 -0.54 0.00 0.00 174.62 175.66 3ge8 h ARG 61 N 2.49 1.05 -0.25 3.99 2.43 -1.00 -1.35 114.38 121.75 3ge8 h ARG 61 Ca -0.47 -0.17 -0.04 0.00 -0.81 0.00 0.00 59.98 58.49 3ge8 h ARG 61 Cb 1.17 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 3ge8 h ARG 61 CO 0.69 0.84 -0.01 -0.22 -1.51 0.00 0.00 179.97 179.77 3ge8 h LYS 62 N 1.04 0.44 -0.35 0.20 3.64 -1.93 -0.30 116.57 119.31 3ge8 h LYS 62 Ca 0.24 -0.15 -0.12 0.00 -1.27 0.00 0.00 60.65 59.36 3ge8 h LYS 62 Cb 0.17 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3ge8 h LYS 62 CO -0.02 0.62 -0.26 1.15 -2.27 0.00 0.00 179.45 178.67 3ge8 h THR 63 N 0.22 1.27 -0.38 1.00 2.02 -1.91 -1.82 112.91 113.32 3ge8 h THR 63 Ca 0.07 -1.36 -0.05 0.00 0.77 0.00 0.00 66.41 65.84 3ge8 h THR 63 Cb 0.43 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 3ge8 h THR 63 CO 0.01 0.45 0.05 0.25 0.37 0.00 0.00 175.52 176.65 3ge8 h LEU 64 N 0.61 0.61 -0.32 2.58 5.85 -1.03 0.33 115.31 123.94 3ge8 h LEU 64 Ca 0.08 -0.27 0.07 0.00 0.84 0.00 0.00 57.88 58.59 3ge8 h LEU 64 Cb 0.75 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.55 3ge8 h LEU 64 CO 0.06 0.73 -0.11 -0.08 -0.34 0.00 0.00 178.44 178.70 3ge8 h GLU 65 N 0.47 -0.05 -0.54 1.25 4.81 -0.99 0.14 114.58 119.66 3ge8 h GLU 65 Ca 0.11 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.44 3ge8 h GLU 65 Cb 0.39 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.71 3ge8 h GLU 65 CO 0.01 -0.03 0.14 0.93 -0.73 0.00 0.00 179.01 179.33 3ge8 h GLU 66 N -0.05 0.28 0.00 1.92 4.39 -0.92 0.10 114.58 120.31 3ge8 h GLU 66 Ca 0.16 -0.02 -0.17 0.00 0.34 0.00 0.00 59.36 59.67 3ge8 h GLU 66 Cb 0.29 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 3ge8 h GLU 66 CO -0.35 0.19 -0.81 1.96 -1.16 0.00 0.00 179.01 178.83 3ge8 h GLN 67 N 0.29 0.00 -0.06 2.33 1.08 -0.62 -3.19 115.11 114.95 3ge8 h GLN 67 Ca 0.28 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.26 3ge8 h GLN 67 Cb 0.37 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 3ge8 h GLN 67 CO -0.33 0.81 -0.85 1.25 -0.95 0.00 0.00 178.83 178.76 3ge8 h LEU 68 N 0.00 0.64 0.00 1.46 5.85 -0.54 -3.43 115.31 119.29 3ge8 h LEU 68 Ca -0.01 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3ge8 h LEU 68 Cb 1.58 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.41 3ge8 h LEU 68 CO 0.11 1.24 0.00 0.61 -0.34 0.00 0.00 178.44 180.06 3ge8 n GLY 69 N 0.79 0.67 3.27 3.75 0.00 0.34 -5.05 105.19 108.96 3ge8 n GLY 69 Ca -0.07 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.62 1.00 0.44 1.61 1.70 -1.24 -5.07 118.95 116.77 3ge8 s ARG 70 Ca 0.00 -1.03 -0.24 0.00 -0.47 0.00 0.00 55.73 53.99 3ge8 s ARG 70 Cb 0.00 0.37 -0.09 0.00 -0.57 0.00 0.00 34.95 34.66 3ge8 s ARG 70 CO 0.00 -0.35 1.20 -2.30 -1.08 0.00 0.00 175.30 172.78 3ge8 n PRO 71 N -0.14 1.72 -3.72 3.89 -0.02 -1.26 -4.72 135.00 130.74 3ge8 n PRO 71 Ca -0.12 0.62 -0.12 0.00 -2.02 0.00 0.00 63.50 61.86 3ge8 n PRO 71 Cb 0.63 -2.31 -0.12 0.00 -0.02 0.00 0.00 33.50 31.67 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 -1.24 -0.42 -0.05 6.00 5.36 -1.26 -5.06 117.98 121.30 3ge8 s PHE 72 Ca 0.63 0.96 -0.03 0.00 -0.96 0.00 0.00 56.93 57.53 3ge8 s PHE 72 Cb -0.51 0.13 -0.04 0.00 -0.34 0.00 0.00 43.02 42.27 3ge8 s PHE 72 CO 0.56 -0.26 0.11 -0.80 -1.46 0.00 0.00 175.22 173.37 3ge8 s ASN 73 N 1.15 5.98 0.30 6.13 0.01 -1.26 -4.87 114.94 122.38 3ge8 s ASN 73 Ca -0.08 0.29 0.05 0.00 -0.71 0.00 0.00 52.86 52.41 3ge8 s ASN 73 Cb -0.09 -1.82 0.73 0.00 0.41 0.00 0.00 41.25 40.49 3ge8 s ASN 73 CO -0.09 0.33 1.75 0.24 -1.51 0.00 0.00 177.10 177.82 3ge8 h MET 74 N 4.46 0.60 -0.52 -0.60 2.86 -1.88 -2.26 114.93 117.59 3ge8 h MET 74 Ca -0.51 -0.04 0.11 0.00 -2.06 0.00 0.00 59.70 57.20 3ge8 h MET 74 Cb 1.20 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.70 3ge8 h MET 74 CO 0.61 0.40 0.35 0.37 1.06 0.00 0.00 176.91 179.70 3ge8 h GLN 75 N 0.62 0.22 0.00 1.72 5.75 -1.94 -0.81 115.11 120.68 3ge8 h GLN 75 Ca 0.57 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 59.06 3ge8 h GLN 75 Cb 0.97 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.47 3ge8 h GLN 75 CO -0.43 0.15 0.00 0.39 -2.65 0.00 0.00 178.83 176.29 3ge8 n GLU 76 N -4.45 0.19 -0.01 1.69 1.02 -0.85 -2.69 120.64 115.54 3ge8 n GLU 76 Ca 0.09 0.45 0.15 0.00 -0.02 0.00 0.00 57.16 57.82 3ge8 n GLU 76 Cb 0.42 -1.89 0.59 0.00 -0.02 0.00 0.00 31.44 30.55 3ge8 n GLU 76 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3ge8 h LEU 77 N 0.00 0.18 0.00 -4.62 5.85 -1.29 -1.32 115.31 114.11 3ge8 h LEU 77 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3ge8 h LEU 77 Cb 0.33 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.33 3ge8 h LEU 77 CO 0.00 0.11 0.00 -1.84 -0.34 0.00 0.00 178.44 176.37 3ge8 n GLU 78 N -4.44 0.10 0.26 1.25 0.28 -1.09 -0.89 120.64 116.10 3ge8 n GLU 78 Ca 0.09 0.23 0.13 0.00 -0.16 0.00 0.00 57.16 57.44 3ge8 n GLU 78 Cb 0.44 -1.50 0.70 0.00 1.43 0.00 0.00 31.44 32.51 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 0.53 0.00 3.84 2.04 -1.48 -3.32 117.51 119.12 3ge8 h ILE 79 Ca 0.00 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.26 3ge8 h ILE 79 Cb 0.14 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 3ge8 h ILE 79 CO 0.00 0.13 0.00 0.59 0.00 0.00 0.00 178.15 178.87 3ge8 n ASN 80 N -3.57 0.22 -4.46 1.72 3.02 -0.07 -4.94 115.26 107.18 3ge8 n ASN 80 Ca -0.01 -0.55 -0.43 0.00 -0.03 0.00 0.00 54.58 53.55 3ge8 n ASN 80 Cb 0.26 0.44 -0.03 0.00 -0.61 0.00 0.00 39.78 39.84 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 -0.87 4.51 0.14 3.41 2.96 -0.40 -0.95 118.68 127.47 3ge8 s LEU 81 Ca 0.00 -1.38 0.09 0.00 -0.22 0.00 0.00 54.13 52.62 3ge8 s LEU 81 Cb 0.00 -2.43 -0.15 0.00 0.50 0.00 0.00 46.19 44.11 3ge8 s LEU 81 CO 0.00 -1.33 1.24 0.00 -1.32 0.00 0.00 176.35 174.95 3ge8 h ALA 82 N 9.35 0.46 -2.84 5.97 0.00 -1.44 -3.46 119.26 127.29 3ge8 h ALA 82 Ca -0.09 -0.87 -0.03 0.00 0.00 0.00 0.00 54.91 53.93 3ge8 h ALA 82 Cb 1.05 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.78 3ge8 h ALA 82 CO 1.18 1.14 0.23 0.45 0.00 0.00 0.00 179.25 182.26 3ge8 n SER 83 N -3.28 -1.95 -3.51 0.00 2.88 -1.10 -5.01 113.62 101.65 3ge8 n SER 83 Ca -0.01 -2.35 -0.17 0.00 -1.33 0.00 0.00 58.87 55.01 3ge8 n SER 83 Cb 0.91 3.24 -0.05 0.00 -0.75 0.00 0.00 64.21 67.55 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 -3.22 -0.62 -0.04 0.66 -0.12 -1.26 -0.40 117.98 112.98 3ge8 s PHE 84 Ca 0.13 0.99 -0.03 0.00 -0.05 0.00 0.00 56.93 57.97 3ge8 s PHE 84 Cb -0.04 0.43 -0.04 0.00 -0.63 0.00 0.00 43.02 42.74 3ge8 s PHE 84 CO 0.10 -0.62 0.15 0.00 -0.05 0.00 0.00 175.22 174.80 3ge8 s ALA 85 N -1.51 3.85 0.00 1.99 0.00 -0.48 -4.93 121.76 120.68 3ge8 s ALA 85 Ca -0.09 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.12 3ge8 s ALA 85 Cb -0.00 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.28 3ge8 s ALA 85 CO 0.06 0.70 0.00 0.41 0.00 0.00 0.00 175.76 176.93 3ge8 n GLY 86 N 1.30 1.19 3.90 0.00 0.00 -1.26 -1.51 105.19 108.80 3ge8 n GLY 86 Ca -0.14 -1.94 -0.29 0.00 0.00 0.00 0.00 46.02 43.65 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 -2.18 2.92 -0.02 1.61 -0.21 0.18 -4.76 119.66 117.21 3ge8 s GLN 87 Ca 0.00 0.31 0.06 0.00 0.02 0.00 0.00 55.36 55.75 3ge8 s GLN 87 Cb 0.00 -2.12 -0.01 0.00 1.00 0.00 0.00 33.01 31.88 3ge8 s GLN 87 CO 0.00 -0.88 -0.21 -1.50 -2.12 0.00 0.00 175.29 170.58 3ge8 s ILE 88 N -3.21 1.67 -0.22 1.08 2.07 -1.26 -1.48 121.20 119.85 3ge8 s ILE 88 Ca 0.56 -0.90 -0.02 0.00 -1.41 0.00 0.00 60.65 58.88 3ge8 s ILE 88 Cb -0.11 -1.39 0.07 0.00 0.13 0.00 0.00 42.46 41.16 3ge8 s ILE 88 CO 0.49 0.47 0.05 -1.58 -1.91 0.00 0.00 174.94 172.47 3ge8 s GLN 89 N -0.43 0.66 0.02 3.50 0.74 -0.35 -5.00 119.66 118.80 3ge8 s GLN 89 Ca 0.06 -0.54 0.07 0.00 0.05 0.00 0.00 55.36 55.00 3ge8 s GLN 89 Cb -0.09 -2.05 -0.03 0.00 1.10 0.00 0.00 33.01 31.94 3ge8 s GLN 89 CO -0.00 -0.72 -0.21 0.00 -0.55 0.00 0.00 175.29 173.81 3ge8 s ALA 90 N 1.82 2.45 0.00 1.58 0.00 -1.26 -1.19 121.76 125.16 3ge8 s ALA 90 Ca 0.01 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.80 3ge8 s ALA 90 Cb -0.17 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.28 3ge8 s ALA 90 CO -0.12 0.55 0.00 -0.40 0.00 0.00 0.00 175.76 175.79 3ge8 n ASP 91 N 1.84 0.00 0.25 0.00 3.85 -0.46 -5.02 116.55 117.01 3ge8 n ASP 91 Ca -0.16 -0.93 0.13 0.00 -0.71 0.00 0.00 54.79 53.12 3ge8 n ASP 91 Cb 0.52 0.00 0.54 0.00 -1.35 0.00 0.00 41.12 40.83 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 9.09 -2.01 -3.21 114.58 118.56 3ge8 h GLU 92 Ca 0.00 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.27 3ge8 h GLU 92 Cb 0.00 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.07 3ge8 h GLU 92 CO 0.00 0.11 -1.98 -0.25 0.05 0.00 0.00 179.01 176.95 3ge8 n ASP 93 N -3.24 0.18 -3.81 3.06 8.00 -1.26 -4.54 116.55 114.94 3ge8 n ASP 93 Ca 0.01 0.08 -0.06 0.00 0.71 0.00 0.00 54.79 55.53 3ge8 n ASP 93 Cb 0.38 1.32 -0.02 0.00 -0.02 0.00 0.00 41.12 42.78 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 -3.09 1.56 0.02 -1.24 -2.07 -1.21 -0.33 119.66 113.29 3ge8 s GLN 94 Ca -0.07 -0.87 0.06 0.00 -1.82 0.00 0.00 55.36 52.66 3ge8 s GLN 94 Cb 0.10 0.53 -0.02 0.00 -1.09 0.00 0.00 33.01 32.54 3ge8 s GLN 94 CO 0.86 -0.72 -0.17 -1.50 -1.32 0.00 0.00 175.29 172.44 3ge8 s ILE 95 N -3.65 1.37 -0.14 3.63 2.07 0.83 -1.35 121.20 123.96 3ge8 s ILE 95 Ca 0.12 -0.94 0.03 0.00 -1.41 0.00 0.00 60.65 58.44 3ge8 s ILE 95 Cb -0.04 -1.18 0.01 0.00 0.13 0.00 0.00 42.46 41.37 3ge8 s ILE 95 CO 0.05 0.22 -0.22 -0.60 -1.91 0.00 0.00 174.94 172.48 3ge8 s ARG 96 N -0.84 3.03 -0.15 3.50 3.52 -0.33 -0.61 118.95 127.06 3ge8 s ARG 96 Ca 0.05 -0.86 -0.08 0.00 -0.13 0.00 0.00 55.73 54.72 3ge8 s ARG 96 Cb -0.08 -2.43 -0.04 0.00 -1.56 0.00 0.00 34.95 30.84 3ge8 s ARG 96 CO 0.01 -0.00 0.13 -0.06 -0.81 0.00 0.00 175.30 174.57 3ge8 s PHE 97 N 0.78 3.51 0.08 5.12 0.40 -0.04 -1.21 117.98 126.62 3ge8 s PHE 97 Ca -0.08 0.44 -0.26 0.00 -0.60 0.00 0.00 56.93 56.43 3ge8 s PHE 97 Cb -0.16 -2.02 0.07 0.00 0.51 0.00 0.00 43.02 41.42 3ge8 s PHE 97 CO -0.01 0.55 0.66 1.52 0.70 0.00 0.00 175.22 178.63 3ge8 s TYR 98 N -0.46 -0.55 0.04 0.36 -0.85 -0.55 -1.02 117.35 114.33 3ge8 s TYR 98 Ca 0.12 0.53 0.07 0.00 -0.52 0.00 0.00 57.07 57.26 3ge8 s TYR 98 Cb -0.12 0.52 -0.03 0.00 0.38 0.00 0.00 41.96 42.71 3ge8 s TYR 98 CO 0.02 -0.75 -0.16 -0.06 -1.52 0.00 0.00 175.55 173.08 3ge8 s PHE 99 N -2.97 2.62 0.05 -3.49 0.08 -0.91 0.50 117.98 113.87 3ge8 s PHE 99 Ca -0.02 -0.22 0.04 0.00 0.12 0.00 0.00 56.93 56.85 3ge8 s PHE 99 Cb -0.01 -1.48 -0.24 0.00 -0.57 0.00 0.00 43.02 40.72 3ge8 s PHE 99 CO -0.06 0.29 1.04 -0.44 -0.10 0.00 0.00 175.22 175.94 3ge8 h ASP 100 N 4.44 0.16 -2.50 1.36 3.32 -2.00 -3.47 116.42 117.73 3ge8 h ASP 100 Ca -0.48 -0.21 -0.54 0.00 0.02 0.00 0.00 57.03 55.82 3ge8 h ASP 100 Cb 1.16 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 40.60 3ge8 h ASP 100 CO 0.49 1.17 -0.55 -0.54 -1.72 0.00 0.00 179.24 178.09 3ge8 s LYS 101 N -2.66 2.92 -0.20 3.56 1.02 -1.26 -5.10 119.74 118.02 3ge8 s LYS 101 Ca -0.03 -0.94 -0.04 0.00 0.02 0.00 0.00 55.97 54.98 3ge8 s LYS 101 Cb 0.08 -2.62 -0.01 0.00 -0.52 0.00 0.00 37.83 34.76 3ge8 s LYS 101 CO 0.84 0.45 -0.04 0.99 -0.92 0.00 0.00 175.35 176.66 3ge8 s THR 102 N -1.90 3.47 -2.41 2.17 2.01 -1.26 -5.03 115.64 112.68 3ge8 s THR 102 Ca 0.32 -0.47 0.19 0.00 0.31 0.00 0.00 61.69 62.04 3ge8 s THR 102 Cb -0.09 -2.56 0.15 0.00 0.01 0.00 0.00 72.50 70.01 3ge8 s THR 102 CO 0.24 0.44 1.11 0.23 -0.69 0.00 0.00 174.62 175.95