#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bf2 h THR 2 N 0.00 0.97 -0.28 2.46 2.02 -2.05 -0.12 112.91 115.91 2bf2 h THR 2 Ca 0.00 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 67.02 2bf2 h THR 2 Cb 0.00 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 2bf2 h THR 2 CO 0.00 0.05 -0.12 -0.07 0.37 0.00 0.00 175.52 175.75 2bf2 h LEU 3 N 0.26 0.45 -0.23 2.58 3.38 -2.05 -1.76 115.31 117.94 2bf2 h LEU 3 Ca 0.12 -0.11 -0.20 0.00 0.09 0.00 0.00 57.88 57.78 2bf2 h LEU 3 Cb 0.05 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2bf2 h LEU 3 CO -0.10 0.61 -0.91 0.00 0.09 0.00 0.00 178.44 178.13 2bf2 h ALA 4 N 1.44 0.49 0.00 1.53 0.00 -1.96 -2.20 119.26 118.57 2bf2 h ALA 4 Ca 0.08 -0.77 -0.10 0.00 0.00 0.00 0.00 54.91 54.12 2bf2 h ALA 4 Cb 0.47 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2bf2 h ALA 4 CO 0.03 1.00 -0.47 0.22 0.00 0.00 0.00 179.25 180.03 2bf2 h ASP 5 N 0.06 0.00 -0.25 0.00 3.58 -0.71 -1.22 116.42 117.87 2bf2 h ASP 5 Ca -0.04 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.24 2bf2 h ASP 5 Cb 1.57 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.62 2bf2 h ASP 5 CO 0.13 0.47 -0.53 1.56 -2.88 0.00 0.00 179.24 177.99 2bf2 h GLN 6 N 0.00 0.80 -0.71 0.28 1.08 -1.06 -2.60 115.11 112.90 2bf2 h GLN 6 Ca -0.00 -0.53 0.01 0.00 -1.45 0.00 0.00 58.65 56.67 2bf2 h GLN 6 Cb 0.84 0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 28.30 2bf2 h GLN 6 CO 0.06 1.16 0.47 0.00 -0.95 0.00 0.00 178.83 179.57 2bf2 h ALA 7 N 0.64 0.90 -0.57 3.87 0.00 -1.15 -1.94 119.26 121.01 2bf2 h ALA 7 Ca 0.00 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.97 2bf2 h ALA 7 Cb 1.15 -0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.57 2bf2 h ALA 7 CO 0.12 0.31 0.11 1.25 0.00 0.00 0.00 179.25 181.04 2bf2 h LEU 8 N 0.96 -0.02 -1.69 0.00 5.85 -1.06 -0.70 115.31 118.64 2bf2 h LEU 8 Ca 0.26 0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.09 2bf2 h LEU 8 Cb -0.10 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.08 2bf2 h LEU 8 CO -0.06 0.01 0.00 1.41 -0.34 0.00 0.00 178.44 179.45 2bf2 n HIS 9 N -5.14 0.53 -2.08 1.25 8.25 -0.99 -3.85 115.22 113.19 2bf2 n HIS 9 Ca 0.08 -0.26 -0.42 0.00 -0.26 0.00 0.00 57.72 56.86 2bf2 n HIS 9 Cb 0.30 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.38 2bf2 n HIS 9 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2bf2 s ASN 10 N -1.19 6.74 0.46 0.41 3.84 -0.77 -4.88 114.94 119.54 2bf2 s ASN 10 Ca 0.33 2.49 0.21 0.00 0.21 0.00 0.00 52.86 56.10 2bf2 s ASN 10 Cb 0.18 -2.60 1.19 0.00 -0.55 0.00 0.00 41.25 39.47 2bf2 s ASN 10 CO 0.24 -0.69 1.90 0.78 -2.79 0.00 0.00 177.10 176.54 2bf2 h ASN 11 N 6.16 0.27 -3.65 -4.21 -0.26 -1.92 -3.40 115.58 108.58 2bf2 h ASN 11 Ca -0.44 0.02 -0.68 0.00 -0.56 0.00 0.00 56.30 54.65 2bf2 h ASN 11 Cb 1.21 -0.03 -0.23 0.00 -1.06 0.00 0.00 38.32 38.22 2bf2 h ASN 11 CO 0.84 0.12 -0.54 0.20 -1.06 0.00 0.00 177.43 176.99 2bf2 s ASN 12 N -5.81 5.63 0.21 5.81 0.01 -1.26 -2.95 114.94 116.58 2bf2 s ASN 12 Ca -0.07 -0.60 0.09 0.00 -0.71 0.00 0.00 52.86 51.57 2bf2 s ASN 12 Cb 0.22 -2.02 -0.04 0.00 0.41 0.00 0.00 41.25 39.82 2bf2 s ASN 12 CO 0.77 -0.23 -0.07 0.68 -1.51 0.00 0.00 177.10 176.74 2bf2 s VAL 13 N 1.61 3.25 0.00 1.60 -7.23 0.10 -4.68 120.40 115.06 2bf2 s VAL 13 Ca 0.04 -1.76 0.00 0.00 -1.81 0.00 0.00 61.98 58.45 2bf2 s VAL 13 Cb -0.17 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 34.11 2bf2 s VAL 13 CO 0.07 -0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.26 2bf2 n GLY 14 N -0.27 1.21 3.84 2.32 0.00 -0.69 -1.47 105.19 110.12 2bf2 n GLY 14 Ca -0.09 -1.72 -0.32 0.00 0.00 0.00 0.00 46.02 43.88 2bf2 n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bf2 s PRO 15 N -1.47 4.04 -0.19 1.61 0.04 -1.13 -1.18 135.00 136.72 2bf2 s PRO 15 Ca 0.00 0.96 -0.01 0.00 0.04 0.00 0.00 61.00 61.99 2bf2 s PRO 15 Cb 0.00 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.36 2bf2 s PRO 15 CO 0.00 -0.15 -0.13 0.42 0.04 0.00 0.00 177.00 177.18 2bf2 s ILE 16 N -2.43 2.71 -0.13 0.56 1.01 -0.15 -1.80 121.20 120.98 2bf2 s ILE 16 Ca 0.59 -0.72 -0.03 0.00 0.00 0.00 0.00 60.65 60.49 2bf2 s ILE 16 Cb -0.10 -2.19 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 2bf2 s ILE 16 CO 0.24 0.49 -0.03 -0.63 0.00 0.00 0.00 174.94 175.01 2bf2 s ILE 17 N 1.27 3.96 0.45 2.92 -1.09 -0.02 -0.75 121.20 127.94 2bf2 s ILE 17 Ca 0.03 -0.35 -0.23 0.00 -2.23 0.00 0.00 60.65 57.87 2bf2 s ILE 17 Cb -0.14 -2.71 -0.10 0.00 -1.58 0.00 0.00 42.46 37.93 2bf2 s ILE 17 CO -0.07 0.53 0.94 0.54 -1.23 0.00 0.00 174.94 175.65 2bf2 n ARG 18 N 3.08 1.18 -1.76 2.79 1.74 -1.12 -0.63 116.66 121.95 2bf2 n ARG 18 Ca -0.18 0.43 -0.41 0.00 -0.77 0.00 0.00 57.85 56.92 2bf2 n ARG 18 Cb 0.53 -1.99 -0.01 0.00 -1.02 0.00 0.00 32.46 29.97 2bf2 n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bf2 n ALA 19 N -0.72 2.55 0.00 7.54 0.00 -0.46 -4.62 120.51 124.79 2bf2 n ALA 19 Ca 0.10 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2bf2 n ALA 19 Cb 0.40 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.40 2bf2 n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bf2 n GLY 20 N 1.42 0.22 0.00 0.00 0.00 -1.26 -4.95 105.19 100.62 2bf2 n GLY 20 Ca 0.05 -1.62 0.06 0.00 0.00 0.00 0.00 46.02 44.51 2bf2 n GLY 20 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bf2 n ASP 21 N 1.71 0.00 -0.00 1.61 8.00 -1.26 -2.33 116.55 124.27 2bf2 n ASP 21 Ca 0.00 0.07 0.04 0.00 0.71 0.00 0.00 54.79 55.60 2bf2 n ASP 21 Cb 0.00 -0.25 -0.12 0.00 -0.02 0.00 0.00 41.12 40.73 2bf2 n ASP 21 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2bf2 n LEU 22 N -1.25 0.36 0.02 0.64 7.94 -1.26 -4.44 117.00 119.02 2bf2 n LEU 22 Ca 0.06 0.15 -0.12 0.00 -1.11 0.00 0.00 56.01 54.99 2bf2 n LEU 22 Cb 0.09 0.12 -0.05 0.00 0.53 0.00 0.00 43.42 44.10 2bf2 n LEU 22 CO 0.08 0.12 0.63 0.58 -1.11 0.00 0.00 177.39 177.69 2bf2 h VAL 23 N 0.00 0.24 0.01 1.96 2.07 -1.72 -1.56 116.25 117.26 2bf2 h VAL 23 Ca -0.16 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 2bf2 h VAL 23 Cb 1.43 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2bf2 h VAL 23 CO 0.02 0.00 -0.01 -0.33 0.02 0.00 0.00 177.57 177.27 2bf2 h GLU 24 N -0.46 -0.01 -0.98 1.57 5.08 -1.80 -0.22 114.58 117.76 2bf2 h GLU 24 Ca 0.08 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.62 2bf2 h GLU 24 Cb 0.58 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.74 2bf2 h GLU 24 CO -0.33 0.24 0.61 -1.35 -1.00 0.00 0.00 179.01 177.17 2bf2 h PRO 25 N -0.27 0.70 -0.05 2.33 0.11 -1.76 -1.26 132.00 131.81 2bf2 h PRO 25 Ca -0.00 -0.04 -0.23 0.00 0.11 0.00 0.00 66.00 65.84 2bf2 h PRO 25 Cb 0.26 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.22 2bf2 h PRO 25 CO 0.00 0.47 -0.88 0.28 -0.21 0.00 0.00 178.00 177.65 2bf2 h VAL 26 N 0.73 1.33 0.08 3.15 2.07 -0.40 -1.32 116.25 121.89 2bf2 h VAL 26 Ca 0.54 -2.22 0.02 0.00 0.82 0.00 0.00 66.70 65.86 2bf2 h VAL 26 Cb 0.89 2.24 -0.03 0.00 -1.52 0.00 0.00 31.29 32.87 2bf2 h VAL 26 CO -0.31 0.68 -0.18 0.40 0.02 0.00 0.00 177.57 178.18 2bf2 h ILE 27 N 0.36 0.58 -0.47 4.57 2.04 -0.66 0.17 117.51 124.10 2bf2 h ILE 27 Ca -0.08 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.88 2bf2 h ILE 27 Cb 1.51 0.58 -0.09 0.00 -0.74 0.00 0.00 36.82 38.09 2bf2 h ILE 27 CO 0.17 0.00 -0.09 -0.33 0.00 0.00 0.00 178.15 177.90 2bf2 h GLU 28 N -0.34 0.03 -0.64 2.37 5.08 -1.22 -1.79 114.58 118.07 2bf2 h GLU 28 Ca 0.03 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 2bf2 h GLU 28 Cb 0.37 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 2bf2 h GLU 28 CO -0.11 0.02 0.13 1.15 -1.00 0.00 0.00 179.01 179.20 2bf2 h THR 29 N 0.03 1.25 -0.86 1.13 2.02 -1.11 0.10 112.91 115.49 2bf2 h THR 29 Ca 0.23 -0.96 0.05 0.00 0.77 0.00 0.00 66.41 66.51 2bf2 h THR 29 Cb 0.35 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 67.33 2bf2 h THR 29 CO -0.46 0.36 0.56 0.00 0.37 0.00 0.00 175.52 176.35 2bf2 h ALA 30 N 1.17 1.53 0.05 6.16 0.00 -0.15 -1.03 119.26 126.98 2bf2 h ALA 30 Ca 0.20 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2bf2 h ALA 30 Cb 0.38 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2bf2 h ALA 30 CO 0.01 0.36 -0.02 0.93 0.00 0.00 0.00 179.25 180.52 2bf2 h GLU 31 N 1.00 -0.06 0.36 0.00 5.08 -0.47 -2.71 114.58 117.78 2bf2 h GLU 31 Ca 0.36 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.70 2bf2 h GLU 31 Cb 0.14 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2bf2 h GLU 31 CO -0.12 0.53 -0.17 0.82 -1.00 0.00 0.00 179.01 179.06 2bf2 h ILE 32 N -0.72 0.66 -0.00 3.13 2.04 -0.71 -3.06 117.51 118.85 2bf2 h ILE 32 Ca -0.01 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.69 2bf2 h ILE 32 Cb 0.62 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2bf2 h ILE 32 CO 0.01 0.03 -0.02 0.47 0.00 0.00 0.00 178.15 178.64 2bf2 n ASP 33 N -5.26 0.08 -3.13 1.72 8.00 -0.40 -3.63 116.55 113.91 2bf2 n ASP 33 Ca -0.10 -0.21 -0.26 0.00 0.71 0.00 0.00 54.79 54.93 2bf2 n ASP 33 Cb 0.23 -0.25 -0.05 0.00 -0.02 0.00 0.00 41.12 41.03 2bf2 n ASP 33 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2bf2 n ASN 34 N -1.24 3.53 -4.75 -2.24 4.13 -1.02 -4.77 115.26 108.91 2bf2 n ASN 34 Ca 0.14 -3.46 -0.41 0.00 1.68 0.00 0.00 54.58 52.52 2bf2 n ASN 34 Cb 0.25 -0.61 -0.02 0.00 -1.54 0.00 0.00 39.78 37.86 2bf2 n ASN 34 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2bf2 s PRO 35 N -2.89 4.21 0.00 3.52 0.04 -1.17 -2.64 135.00 136.06 2bf2 s PRO 35 Ca 0.44 2.41 0.00 0.00 0.04 0.00 0.00 61.00 63.89 2bf2 s PRO 35 Cb 0.24 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.70 2bf2 s PRO 35 CO -0.09 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 176.85 2bf2 n GLY 36 N 2.24 1.98 3.84 0.56 0.00 -1.26 -5.02 105.19 107.53 2bf2 n GLY 36 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 2bf2 n GLY 36 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bf2 s LYS 37 N -0.02 3.97 -0.04 1.61 2.47 -1.08 -5.04 119.74 121.60 2bf2 s LYS 37 Ca 0.00 0.47 -0.30 0.00 -1.56 0.00 0.00 55.97 54.58 2bf2 s LYS 37 Cb 0.00 -2.99 -0.05 0.00 -1.46 0.00 0.00 37.83 33.32 2bf2 s LYS 37 CO 0.00 0.52 1.50 -2.00 0.16 0.00 0.00 175.35 175.54 2bf2 s GLU 38 N -1.80 4.23 -0.01 4.03 2.12 -1.26 -5.02 118.70 120.98 2bf2 s GLU 38 Ca 0.35 2.04 0.05 0.00 0.36 0.00 0.00 54.97 57.77 2bf2 s GLU 38 Cb -0.15 -3.77 -0.03 0.00 0.26 0.00 0.00 34.13 30.44 2bf2 s GLU 38 CO 0.19 -0.72 -0.14 0.42 -0.54 0.00 0.00 175.26 174.47 2bf2 s ILE 39 N 3.23 3.07 -0.05 -3.70 1.01 -1.26 -4.34 121.20 119.16 2bf2 s ILE 39 Ca 0.67 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 60.51 2bf2 s ILE 39 Cb -0.31 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 39.89 2bf2 s ILE 39 CO 0.26 0.49 -0.21 -0.89 0.00 0.00 0.00 174.94 174.59 2bf2 s THR 40 N -0.83 2.48 -0.04 2.92 2.01 0.59 -4.99 115.64 117.78 2bf2 s THR 40 Ca 0.13 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.23 2bf2 s THR 40 Cb -0.11 -1.93 0.01 0.00 0.01 0.00 0.00 72.50 70.48 2bf2 s THR 40 CO 0.03 0.58 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.75 2bf2 s VAL 41 N -0.41 0.85 -0.08 3.82 1.01 -1.26 -1.11 120.40 123.22 2bf2 s VAL 41 Ca 0.04 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 2bf2 s VAL 41 Cb -0.12 -0.78 0.03 0.00 0.00 0.00 0.00 36.38 35.52 2bf2 s VAL 41 CO 0.02 0.28 0.03 -0.70 0.00 0.00 0.00 175.10 174.73 2bf2 s GLU 42 N 0.43 0.31 -0.35 2.72 2.12 -0.23 -4.99 118.70 118.71 2bf2 s GLU 42 Ca -0.08 0.15 -0.15 0.00 0.36 0.00 0.00 54.97 55.25 2bf2 s GLU 42 Cb -0.12 -0.98 -0.01 0.00 0.26 0.00 0.00 34.13 33.29 2bf2 s GLU 42 CO 0.01 -0.37 0.37 0.34 -0.54 0.00 0.00 175.26 175.07 2bf2 s ASP 43 N 2.05 6.18 -0.16 -1.70 3.68 -1.26 -1.26 116.67 124.20 2bf2 s ASP 43 Ca 0.04 -0.30 0.17 0.00 2.13 0.00 0.00 52.55 54.59 2bf2 s ASP 43 Cb -0.13 -2.20 0.47 0.00 -1.45 0.00 0.00 42.92 39.61 2bf2 s ASP 43 CO -0.05 -0.37 1.35 0.54 0.13 0.00 0.00 175.17 176.77 2bf2 n ARG 44 N 5.41 2.53 0.00 4.34 1.74 -0.62 -5.03 116.66 125.02 2bf2 n ARG 44 Ca -0.09 -2.77 0.00 0.00 -0.77 0.00 0.00 57.85 54.22 2bf2 n ARG 44 Cb 0.49 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 2bf2 n ARG 44 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2bf2 n ARG 45 N -0.72 0.00 0.09 5.56 5.12 -1.26 -4.21 116.66 121.23 2bf2 n ARG 45 Ca 0.20 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 56.16 2bf2 n ARG 45 Cb 0.82 0.00 0.47 0.00 -1.16 0.00 0.00 32.46 32.59 2bf2 n ARG 45 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2bf2 h ALA 46 N 0.00 1.72 -2.88 7.54 0.00 -1.96 -3.39 119.26 120.29 2bf2 h ALA 46 Ca 0.00 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.91 2bf2 h ALA 46 Cb 0.00 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.61 2bf2 h ALA 46 CO 0.00 0.23 0.27 1.52 0.00 0.00 0.00 179.25 181.27 2bf2 s TYR 47 N -5.21 -0.27 -0.05 0.00 -0.85 -1.26 -1.36 117.35 108.34 2bf2 s TYR 47 Ca -0.07 -0.10 0.02 0.00 -0.52 0.00 0.00 57.07 56.40 2bf2 s TYR 47 Cb 0.17 0.66 0.02 0.00 0.38 0.00 0.00 41.96 43.18 2bf2 s TYR 47 CO 0.72 -1.07 -0.09 0.08 -1.52 0.00 0.00 175.55 173.67 2bf2 s VAL 48 N -3.76 0.88 -0.19 -3.49 1.01 0.20 -1.60 120.40 113.45 2bf2 s VAL 48 Ca 0.09 -0.33 -0.16 0.00 0.00 0.00 0.00 61.98 61.58 2bf2 s VAL 48 Cb -0.04 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 2bf2 s VAL 48 CO 0.01 0.30 0.39 -0.60 0.00 0.00 0.00 175.10 175.20 2bf2 s ARG 49 N 0.72 4.19 -0.14 2.72 3.52 -0.39 -0.84 118.95 128.73 2bf2 s ARG 49 Ca -0.13 0.20 0.02 0.00 -0.13 0.00 0.00 55.73 55.69 2bf2 s ARG 49 Cb -0.15 -3.52 0.00 0.00 -1.56 0.00 0.00 34.95 29.73 2bf2 s ARG 49 CO 0.02 0.00 -0.20 0.42 -0.81 0.00 0.00 175.30 174.74 2bf2 s ILE 50 N 1.17 2.30 0.04 4.11 1.09 -0.74 -1.06 121.20 128.11 2bf2 s ILE 50 Ca 0.19 -0.90 -0.05 0.00 -1.10 0.00 0.00 60.65 58.79 2bf2 s ILE 50 Cb -0.15 -1.94 -0.01 0.00 -1.06 0.00 0.00 42.46 39.31 2bf2 s ILE 50 CO 0.08 0.54 0.08 0.00 -0.10 0.00 0.00 174.94 175.54 2bf2 s ALA 51 N 0.74 -0.01 0.14 9.38 0.00 -0.26 -2.82 121.76 128.92 2bf2 s ALA 51 Ca -0.08 -0.61 -0.02 0.00 0.00 0.00 0.00 51.96 51.25 2bf2 s ALA 51 Cb -0.16 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 2bf2 s ALA 51 CO 0.00 -0.32 0.09 0.00 0.00 0.00 0.00 175.76 175.53 2bf2 s ALA 52 N -2.71 0.79 0.17 0.00 0.00 -0.54 -0.30 121.76 119.17 2bf2 s ALA 52 Ca -0.04 -1.42 -0.30 0.00 0.00 0.00 0.00 51.96 50.20 2bf2 s ALA 52 Cb -0.01 0.91 -0.07 0.00 0.00 0.00 0.00 23.12 23.95 2bf2 s ALA 52 CO -0.05 -0.52 1.10 -1.21 0.00 0.00 0.00 175.76 175.08 2bf2 s GLU 53 N -4.05 4.59 0.00 0.00 2.02 -1.26 0.00 118.70 120.01 2bf2 s GLU 53 Ca 0.25 1.71 0.00 0.00 0.02 0.00 0.00 54.97 56.94 2bf2 s GLU 53 Cb 0.07 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 31.02 2bf2 s GLU 53 CO 0.03 0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.79 2bf2 n GLY 54 N 2.08 1.57 3.56 -1.39 0.00 -1.15 -4.80 105.19 105.04 2bf2 n GLY 54 Ca 0.03 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 2bf2 n GLY 54 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bf2 s GLU 55 N 0.00 0.70 -0.09 1.61 2.12 -1.26 -1.41 118.70 120.36 2bf2 s GLU 55 Ca 0.00 0.11 -0.04 0.00 0.36 0.00 0.00 54.97 55.40 2bf2 s GLU 55 Cb 0.00 0.33 0.05 0.00 0.26 0.00 0.00 34.13 34.77 2bf2 s GLU 55 CO 0.00 -0.23 0.20 -1.17 -0.54 0.00 0.00 175.26 173.52 2bf2 s LEU 56 N -1.28 0.20 -0.04 2.70 2.96 -0.44 -4.73 118.68 118.05 2bf2 s LEU 56 Ca -0.02 0.43 0.02 0.00 -0.22 0.00 0.00 54.13 54.33 2bf2 s LEU 56 Cb -0.00 0.50 -0.03 0.00 0.50 0.00 0.00 46.19 47.15 2bf2 s LEU 56 CO 0.02 -0.20 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.14 2bf2 s ILE 57 N 1.78 3.61 -0.17 6.68 1.01 -1.26 -1.49 121.20 131.35 2bf2 s ILE 57 Ca -0.03 -0.60 -0.01 0.00 0.00 0.00 0.00 60.65 60.01 2bf2 s ILE 57 Cb -0.12 -2.50 0.05 0.00 0.01 0.00 0.00 42.46 39.91 2bf2 s ILE 57 CO -0.07 0.53 -0.03 -0.76 0.00 0.00 0.00 174.94 174.62 2bf2 s LEU 58 N -0.99 1.55 0.13 2.97 1.43 -0.34 -4.57 118.68 118.85 2bf2 s LEU 58 Ca 0.14 -0.73 -0.17 0.00 -1.03 0.00 0.00 54.13 52.35 2bf2 s LEU 58 Cb -0.11 -0.83 -0.07 0.00 0.03 0.00 0.00 46.19 45.21 2bf2 s LEU 58 CO 0.03 -0.22 0.58 0.42 0.23 0.00 0.00 176.35 177.38 2bf2 s THR 59 N 1.69 4.78 0.29 5.49 -4.23 -1.26 -1.72 115.64 120.68 2bf2 s THR 59 Ca -0.00 1.01 0.03 0.00 -1.18 0.00 0.00 61.69 61.55 2bf2 s THR 59 Cb -0.16 -3.80 0.28 0.00 1.34 0.00 0.00 72.50 70.16 2bf2 s THR 59 CO -0.07 0.34 1.75 -0.09 -0.54 0.00 0.00 174.62 176.01 2bf2 h ARG 60 N 3.87 0.61 0.42 3.99 2.43 0.09 -2.80 114.38 122.99 2bf2 h ARG 60 Ca -0.49 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.63 2bf2 h ARG 60 Cb 1.20 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 2bf2 h ARG 60 CO 0.65 0.40 -0.36 -0.22 -1.51 0.00 0.00 179.97 178.93 2bf2 h LYS 61 N 0.63 -0.74 -0.98 0.20 1.63 -1.93 -2.06 116.57 113.32 2bf2 h LYS 61 Ca 0.54 0.05 0.17 0.00 -0.85 0.00 0.00 60.65 60.56 2bf2 h LYS 61 Cb 0.87 0.17 -0.10 0.00 -0.60 0.00 0.00 32.23 32.57 2bf2 h LYS 61 CO -0.41 -0.49 0.58 1.15 -3.45 0.00 0.00 179.45 176.83 2bf2 h THR 62 N -0.76 0.75 -0.50 1.00 2.02 -1.93 -1.39 112.91 112.10 2bf2 h THR 62 Ca -0.05 -0.27 -0.05 0.00 0.77 0.00 0.00 66.41 66.80 2bf2 h THR 62 Cb 0.64 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 2bf2 h THR 62 CO -0.01 0.14 0.10 -0.07 0.37 0.00 0.00 175.52 176.05 2bf2 h LEU 63 N 0.79 0.71 0.06 2.58 3.38 -1.21 -1.75 115.31 119.87 2bf2 h LEU 63 Ca 0.54 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.38 2bf2 h LEU 63 Cb 0.77 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2bf2 h LEU 63 CO -0.36 0.72 -0.03 -0.08 0.09 0.00 0.00 178.44 178.78 2bf2 h GLU 64 N 0.74 -0.08 -0.96 1.13 4.81 -0.55 -0.66 114.58 119.00 2bf2 h GLU 64 Ca 0.16 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.56 2bf2 h GLU 64 Cb 0.31 0.02 -0.10 0.00 0.63 0.00 0.00 28.75 29.61 2bf2 h GLU 64 CO 0.00 0.19 0.56 1.05 -0.73 0.00 0.00 179.01 180.09 2bf2 h GLU 65 N -0.35 0.75 0.00 1.92 4.11 -1.28 0.60 114.58 120.33 2bf2 h GLU 65 Ca -0.01 -0.04 -0.12 0.00 0.07 0.00 0.00 59.36 59.25 2bf2 h GLU 65 Cb 0.31 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2bf2 h GLU 65 CO 0.01 0.49 -0.59 1.96 0.07 0.00 0.00 179.01 180.96 2bf2 h GLN 66 N 0.77 0.00 0.00 1.06 1.08 -1.12 -2.88 115.11 114.02 2bf2 h GLN 66 Ca 0.53 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 57.49 2bf2 h GLN 66 Cb 0.74 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.13 2bf2 h GLN 66 CO -0.35 0.59 -1.44 -0.07 -0.95 0.00 0.00 178.83 176.61 2bf2 h LEU 67 N 0.00 0.00 2.22 1.46 3.38 -0.67 -3.46 115.31 118.24 2bf2 h LEU 67 Ca -0.01 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.66 2bf2 h LEU 67 Cb 1.34 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.04 2bf2 h LEU 67 CO 0.08 0.86 -0.35 0.61 0.09 0.00 0.00 178.44 179.72 2bf2 n GLY 68 N 1.46 0.05 3.34 0.83 0.00 0.21 -4.99 105.19 106.08 2bf2 n GLY 68 Ca -0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.73 2bf2 n GLY 68 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2bf2 s ARG 69 N -4.53 1.47 0.35 1.61 1.04 -1.26 -5.07 118.95 112.56 2bf2 s ARG 69 Ca 0.00 -1.81 -0.28 0.00 -1.04 0.00 0.00 55.73 52.60 2bf2 s ARG 69 Cb 0.00 -0.33 -0.11 0.00 -2.04 0.00 0.00 34.95 32.47 2bf2 s ARG 69 CO 0.00 -0.30 1.47 -2.30 -0.04 0.00 0.00 175.30 174.13 2bf2 n PRO 70 N -0.52 2.55 -3.81 3.89 -0.02 -1.26 -4.74 135.00 131.09 2bf2 n PRO 70 Ca -0.00 0.90 -0.20 0.00 -2.02 0.00 0.00 63.50 62.18 2bf2 n PRO 70 Cb 0.66 -2.61 -0.17 0.00 -0.02 0.00 0.00 33.50 31.36 2bf2 n PRO 70 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2bf2 s PHE 71 N -0.87 0.37 -0.12 6.00 5.36 -1.26 -5.06 117.98 122.40 2bf2 s PHE 71 Ca 0.56 0.01 -0.04 0.00 -0.96 0.00 0.00 56.93 56.50 2bf2 s PHE 71 Cb -0.50 -0.56 -0.04 0.00 -0.34 0.00 0.00 43.02 41.58 2bf2 s PHE 71 CO 0.60 -0.21 0.05 1.21 -1.46 0.00 0.00 175.22 175.41 2bf2 s ASN 72 N 1.63 5.61 0.42 6.13 3.84 -1.26 -4.94 114.94 126.36 2bf2 s ASN 72 Ca -0.01 0.21 0.23 0.00 0.21 0.00 0.00 52.86 53.49 2bf2 s ASN 72 Cb -0.13 -1.75 1.23 0.00 -0.55 0.00 0.00 41.25 40.05 2bf2 s ASN 72 CO -0.03 0.33 1.73 0.24 -2.79 0.00 0.00 177.10 176.59 2bf2 h MET 73 N 5.51 0.27 -0.99 0.43 2.86 -1.92 0.37 114.93 121.46 2bf2 h MET 73 Ca -0.48 -0.02 0.31 0.00 -2.06 0.00 0.00 59.70 57.45 2bf2 h MET 73 Cb 1.20 -0.06 -0.15 0.00 0.06 0.00 0.00 31.60 32.65 2bf2 h MET 73 CO 0.59 0.18 0.55 0.37 1.06 0.00 0.00 176.91 179.66 2bf2 h GLN 74 N 0.28 0.32 -0.02 1.72 -0.00 -1.94 0.50 115.11 115.96 2bf2 h GLN 74 Ca 0.65 -0.02 -0.09 0.00 -0.00 0.00 0.00 58.65 59.20 2bf2 h GLN 74 Cb 1.86 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 29.25 2bf2 h GLN 74 CO -0.31 0.21 -0.39 1.49 0.00 0.00 0.00 178.83 179.84 2bf2 h GLU 75 N 0.33 0.04 -0.04 1.69 4.81 -1.34 0.27 114.58 120.34 2bf2 h GLU 75 Ca 0.72 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.91 2bf2 h GLU 75 Cb 1.61 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.98 2bf2 h GLU 75 CO -0.60 0.42 -0.05 1.25 -0.73 0.00 0.00 179.01 179.30 2bf2 h LEU 76 N 0.04 0.12 -0.47 1.64 5.85 -1.08 -3.25 115.31 118.16 2bf2 h LEU 76 Ca 0.00 -0.52 -0.06 0.00 0.84 0.00 0.00 57.88 58.15 2bf2 h LEU 76 Cb 0.70 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 2bf2 h LEU 76 CO 0.05 0.61 0.06 -0.33 -0.34 0.00 0.00 178.44 178.49 2bf2 h GLU 77 N -0.37 0.79 0.00 1.25 5.08 -0.76 0.16 114.58 120.73 2bf2 h GLU 77 Ca 0.01 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2bf2 h GLU 77 Cb 0.58 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2bf2 h GLU 77 CO 0.01 0.81 0.00 1.51 -1.00 0.00 0.00 179.01 180.34 2bf2 n ILE 78 N -4.42 0.98 -1.02 3.13 0.13 0.89 -2.28 119.36 116.76 2bf2 n ILE 78 Ca 0.01 0.41 0.06 0.00 -1.10 0.00 0.00 62.75 62.14 2bf2 n ILE 78 Cb 0.26 -1.36 0.28 0.00 -0.84 0.00 0.00 39.64 37.98 2bf2 n ILE 78 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94 2bf2 n ASN 79 N -2.15 4.12 -4.43 9.51 3.02 0.53 -4.89 115.26 120.96 2bf2 n ASN 79 Ca 0.01 -3.08 -0.44 0.00 -0.03 0.00 0.00 54.58 51.04 2bf2 n ASN 79 Cb 0.15 -0.59 -0.04 0.00 -0.61 0.00 0.00 39.78 38.69 2bf2 n ASN 79 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2bf2 s LEU 80 N -2.87 4.71 0.25 3.41 1.43 -0.97 -2.78 118.68 121.85 2bf2 s LEU 80 Ca 0.45 -1.23 -0.04 0.00 -1.03 0.00 0.00 54.13 52.29 2bf2 s LEU 80 Cb 0.37 -2.39 0.46 0.00 0.03 0.00 0.00 46.19 44.65 2bf2 s LEU 80 CO 0.10 -1.32 1.74 0.00 0.23 0.00 0.00 176.35 177.10 2bf2 h ALA 81 N 9.39 1.09 -2.06 4.21 0.00 -1.26 -3.47 119.26 127.16 2bf2 h ALA 81 Ca -0.24 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2bf2 h ALA 81 Cb 1.07 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2bf2 h ALA 81 CO 1.15 -0.17 0.00 0.45 0.00 0.00 0.00 179.25 180.68 2bf2 n SER 82 N -4.96 0.00 -3.61 0.00 2.88 -1.07 -5.01 113.62 101.86 2bf2 n SER 82 Ca 0.14 -0.82 -0.07 0.00 -1.33 0.00 0.00 58.87 56.80 2bf2 n SER 82 Cb 0.40 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.84 2bf2 n SER 82 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2bf2 s PHE 83 N -7.07 -0.27 0.03 0.66 -0.12 -1.26 -0.97 117.98 108.98 2bf2 s PHE 83 Ca 0.00 0.05 0.07 0.00 -0.05 0.00 0.00 56.93 57.00 2bf2 s PHE 83 Cb 0.00 0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 42.94 2bf2 s PHE 83 CO 0.00 -0.69 -0.18 0.00 -0.05 0.00 0.00 175.22 174.30 2bf2 s ALA 84 N -3.24 2.58 0.00 1.99 0.00 -0.32 -4.77 121.76 117.99 2bf2 s ALA 84 Ca 0.08 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.86 2bf2 s ALA 84 Cb -0.01 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.37 2bf2 s ALA 84 CO -0.04 0.57 0.00 0.41 0.00 0.00 0.00 175.76 176.69 2bf2 n GLY 85 N 1.63 -2.83 3.98 0.00 0.00 -0.29 -1.71 105.19 105.97 2bf2 n GLY 85 Ca -0.16 -1.84 -0.20 0.00 0.00 0.00 0.00 46.02 43.81 2bf2 n GLY 85 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bf2 s GLN 86 N -0.59 2.76 -0.06 1.61 -0.21 0.39 -4.61 119.66 118.96 2bf2 s GLN 86 Ca 0.00 -0.84 0.03 0.00 0.02 0.00 0.00 55.36 54.57 2bf2 s GLN 86 Cb 0.00 -2.59 0.01 0.00 1.00 0.00 0.00 33.01 31.43 2bf2 s GLN 86 CO 0.00 -0.46 -0.14 0.42 -2.12 0.00 0.00 175.29 172.99 2bf2 s ILE 87 N -2.58 1.23 -0.13 1.08 1.01 -1.26 -0.53 121.20 120.02 2bf2 s ILE 87 Ca 0.54 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.64 2bf2 s ILE 87 Cb -0.10 -1.10 -0.01 0.00 0.01 0.00 0.00 42.46 41.26 2bf2 s ILE 87 CO 0.36 0.37 -0.14 -1.10 0.00 0.00 0.00 174.94 174.43 2bf2 s GLN 88 N 0.49 3.32 -0.01 2.79 -0.21 -0.44 -5.02 119.66 120.58 2bf2 s GLN 88 Ca -0.12 -0.72 -0.03 0.00 0.02 0.00 0.00 55.36 54.51 2bf2 s GLN 88 Cb -0.15 -2.61 -0.00 0.00 1.00 0.00 0.00 33.01 31.26 2bf2 s GLN 88 CO 0.04 0.16 0.07 0.00 -2.12 0.00 0.00 175.29 173.43 2bf2 s ALA 89 N 0.48 -0.15 0.00 6.09 0.00 -1.26 -0.69 121.76 126.21 2bf2 s ALA 89 Ca -0.10 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.82 2bf2 s ALA 89 Cb -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.95 2bf2 s ALA 89 CO 0.05 -0.11 0.00 -0.40 0.00 0.00 0.00 175.76 175.30 2bf2 n ASP 90 N 2.34 0.00 0.22 0.00 3.85 -0.52 -5.02 116.55 117.42 2bf2 n ASP 90 Ca -0.17 -0.48 0.08 0.00 -0.71 0.00 0.00 54.79 53.51 2bf2 n ASP 90 Cb 0.58 0.00 0.47 0.00 -1.35 0.00 0.00 41.12 40.81 2bf2 n ASP 90 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 2bf2 h GLU 91 N 0.00 0.00 0.00 0.11 9.09 -2.03 -3.26 114.58 118.50 2bf2 h GLU 91 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 2bf2 h GLU 91 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2bf2 h GLU 91 CO 0.00 0.27 -1.95 -0.25 0.05 0.00 0.00 179.01 177.13 2bf2 n ASP 92 N -3.57 0.27 -3.65 3.06 8.00 -1.26 -4.58 116.55 114.83 2bf2 n ASP 92 Ca -0.01 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.42 2bf2 n ASP 92 Cb 0.41 1.93 -0.02 0.00 -0.02 0.00 0.00 41.12 43.42 2bf2 n ASP 92 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bf2 s GLN 93 N -3.42 1.23 -0.06 -1.24 -2.07 -1.23 0.82 119.66 113.68 2bf2 s GLN 93 Ca -0.08 -0.60 0.04 0.00 -1.82 0.00 0.00 55.36 52.91 2bf2 s GLN 93 Cb 0.13 0.47 0.00 0.00 -1.09 0.00 0.00 33.01 32.52 2bf2 s GLN 93 CO 0.86 -0.55 -0.19 -1.50 -1.32 0.00 0.00 175.29 172.59 2bf2 s ILE 94 N -3.45 1.59 -0.22 3.63 2.07 -0.70 -1.44 121.20 122.67 2bf2 s ILE 94 Ca 0.08 -0.78 -0.02 0.00 -1.41 0.00 0.00 60.65 58.52 2bf2 s ILE 94 Cb -0.02 -1.38 0.01 0.00 0.13 0.00 0.00 42.46 41.20 2bf2 s ILE 94 CO -0.03 0.45 -0.08 -0.60 -1.91 0.00 0.00 174.94 172.78 2bf2 s ARG 95 N 0.24 3.11 -0.04 3.50 3.52 0.13 -1.20 118.95 128.21 2bf2 s ARG 95 Ca -0.10 -0.79 -0.19 0.00 -0.13 0.00 0.00 55.73 54.52 2bf2 s ARG 95 Cb -0.14 -2.92 -0.05 0.00 -1.56 0.00 0.00 34.95 30.27 2bf2 s ARG 95 CO 0.04 -0.27 0.52 -0.06 -0.81 0.00 0.00 175.30 174.72 2bf2 s PHE 96 N 1.39 3.64 0.11 5.12 0.40 -0.56 -1.33 117.98 126.75 2bf2 s PHE 96 Ca 0.04 1.06 -0.14 0.00 -0.60 0.00 0.00 56.93 57.29 2bf2 s PHE 96 Cb -0.15 -2.52 0.02 0.00 0.51 0.00 0.00 43.02 40.88 2bf2 s PHE 96 CO -0.06 0.36 0.33 1.52 0.70 0.00 0.00 175.22 178.07 2bf2 s TYR 97 N -0.13 -0.09 0.58 0.36 -0.85 0.31 -1.32 117.35 116.21 2bf2 s TYR 97 Ca 0.28 -0.25 -0.19 0.00 -0.52 0.00 0.00 57.07 56.39 2bf2 s TYR 97 Cb -0.17 0.15 -0.04 0.00 0.38 0.00 0.00 41.96 42.28 2bf2 s TYR 97 CO 0.14 -0.64 1.20 0.12 -1.52 0.00 0.00 175.55 174.85 2bf2 s PHE 98 N -3.72 2.44 -0.35 -3.49 5.36 -0.50 -0.46 117.98 117.26 2bf2 s PHE 98 Ca 0.03 1.52 -0.12 0.00 -0.96 0.00 0.00 56.93 57.40 2bf2 s PHE 98 Cb 0.03 -3.45 -0.00 0.00 -0.34 0.00 0.00 43.02 39.25 2bf2 s PHE 98 CO -0.11 -2.11 0.22 0.34 -1.46 0.00 0.00 175.22 172.10 2bf2 s ASP 99 N -1.61 5.90 0.11 6.13 3.68 -1.26 -4.79 116.67 124.83 2bf2 s ASP 99 Ca 0.77 -0.60 0.27 0.00 2.13 0.00 0.00 52.55 55.12 2bf2 s ASP 99 Cb -0.29 -2.09 1.00 0.00 -1.45 0.00 0.00 42.92 40.09 2bf2 s ASP 99 CO 0.32 -0.28 1.84 0.29 0.13 0.00 0.00 175.17 177.47 2bf2 n LYS 100 N 5.07 0.14 -0.08 4.34 5.02 -1.26 -3.86 118.16 127.54 2bf2 n LYS 100 Ca -0.13 0.12 -0.04 0.00 -2.02 0.00 0.00 58.31 56.24 2bf2 n LYS 100 Cb 0.49 -1.67 -0.16 0.00 -0.02 0.00 0.00 35.03 33.67 2bf2 n LYS 100 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2bf2 n THR 101 N -1.91 1.01 0.00 -0.18 -2.24 -1.26 -5.27 114.28 104.42 2bf2 n THR 101 Ca 0.06 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 2bf2 n THR 101 Cb 0.38 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 2bf2 n THR 101 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73