#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mfx h HIS 19 N 0.00 0.72 -0.75 -0.32 -0.00 -2.00 0.25 115.15 113.04 3mfx h HIS 19 Ca 0.00 0.04 0.15 0.00 -0.00 0.00 0.00 60.37 60.56 3mfx h HIS 19 Cb 0.00 -0.17 -0.10 0.00 -0.00 0.00 0.00 27.41 27.15 3mfx h HIS 19 CO 0.00 -0.11 0.28 1.03 -0.00 0.00 0.00 177.93 179.13 3mfx h SER 20 N 0.35 0.24 1.05 3.26 0.87 -2.06 -0.49 113.55 116.78 3mfx h SER 20 Ca 0.63 0.11 -0.09 0.00 -1.23 0.00 0.00 61.79 61.21 3mfx h SER 20 Cb 1.30 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 63.35 3mfx h SER 20 CO -0.58 0.08 -0.43 0.28 -0.53 0.00 0.00 176.83 175.65 3mfx h SER 21 N 0.42 0.00 -0.80 6.23 0.02 -0.99 -3.26 113.55 115.16 3mfx h SER 21 Ca 0.42 0.00 0.15 0.00 -0.84 0.00 0.00 61.79 61.52 3mfx h SER 21 Cb 0.65 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.09 3mfx h SER 21 CO -0.42 0.43 0.37 0.25 -1.14 0.00 0.00 176.83 176.31 3mfx h LEU 22 N 0.00 0.39 -0.18 5.07 7.12 -0.50 0.05 115.31 127.26 3mfx h LEU 22 Ca -0.00 0.10 -0.00 0.00 0.13 0.00 0.00 57.88 58.11 3mfx h LEU 22 Cb 1.07 0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 41.25 3mfx h LEU 22 CO 0.06 0.15 0.10 -0.33 -0.13 0.00 0.00 178.44 178.28 3mfx h GLU 23 N 0.52 0.24 0.58 1.25 5.08 -1.60 -0.66 114.58 119.99 3mfx h GLU 23 Ca 0.45 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.75 3mfx h GLU 23 Cb 0.67 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3mfx h GLU 23 CO -0.40 0.23 -0.31 1.15 -1.00 0.00 0.00 179.01 178.68 3mfx h THR 24 N 0.19 0.36 -0.85 1.13 2.02 -1.40 -1.35 112.91 113.02 3mfx h THR 24 Ca 0.06 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.35 3mfx h THR 24 Cb 0.05 0.36 -0.08 0.00 -1.74 0.00 0.00 68.15 66.74 3mfx h THR 24 CO -0.01 0.00 0.48 0.40 0.37 0.00 0.00 175.52 176.76 3mfx h ILE 25 N -0.83 0.88 -0.47 3.11 5.03 -0.97 -0.17 117.51 124.09 3mfx h ILE 25 Ca -0.07 -0.27 -0.01 0.00 -0.12 0.00 0.00 64.86 64.39 3mfx h ILE 25 Cb 0.66 0.03 -0.02 0.00 -3.03 0.00 0.00 36.82 34.45 3mfx h ILE 25 CO 0.10 0.14 0.26 -0.08 -0.68 0.00 0.00 178.15 177.90 3mfx h GLU 26 N 0.79 0.65 -0.35 2.37 4.81 -0.93 0.68 114.58 122.60 3mfx h GLU 26 Ca 0.42 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.50 3mfx h GLU 26 Cb 0.42 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 3mfx h GLU 26 CO -0.27 0.51 -0.10 1.25 -0.73 0.00 0.00 179.01 179.67 3mfx h LEU 27 N 0.62 0.59 -0.31 1.64 6.46 -0.52 -2.29 115.31 121.49 3mfx h LEU 27 Ca 0.16 -0.16 -0.02 0.00 -0.12 0.00 0.00 57.88 57.75 3mfx h LEU 27 Cb 0.05 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 39.81 3mfx h LEU 27 CO -0.03 0.73 0.11 0.15 -0.62 0.00 0.00 178.44 178.78 3mfx h PHE 28 N 0.56 0.49 -0.75 1.25 3.57 -0.44 -2.98 116.94 118.64 3mfx h PHE 28 Ca 0.10 -0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.60 3mfx h PHE 28 Cb 0.51 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.05 3mfx h PHE 28 CO 0.02 0.49 0.46 0.82 -2.23 0.00 0.00 178.31 177.87 3mfx h ILE 29 N 0.35 1.06 0.00 1.41 1.08 -0.53 -2.28 117.51 118.61 3mfx h ILE 29 Ca 0.10 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 3mfx h ILE 29 Cb 0.22 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.08 3mfx h ILE 29 CO -0.01 0.16 0.00 0.00 -0.69 0.00 0.00 178.15 177.61 3mfx n GLN 30 N -4.67 0.14 0.01 2.37 6.02 -0.89 -2.27 117.38 118.09 3mfx n GLN 30 Ca 0.09 0.57 -0.00 0.00 -0.01 0.00 0.00 57.00 57.65 3mfx n GLN 30 Cb 0.13 -1.90 -0.10 0.00 1.02 0.00 0.00 30.24 29.39 3mfx n GLN 30 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3mfx n HIS 31 N -2.18 0.81 -2.06 1.08 8.25 -0.86 -4.71 115.22 115.55 3mfx n HIS 31 Ca -0.00 0.27 -0.37 0.00 -0.26 0.00 0.00 57.72 57.36 3mfx n HIS 31 Cb 0.08 -1.04 0.01 0.00 1.12 0.00 0.00 29.99 30.16 3mfx n HIS 31 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3mfx s LEU 32 N -5.66 3.89 -0.18 2.41 1.43 -0.96 -4.93 118.68 114.67 3mfx s LEU 32 Ca -0.04 2.46 0.10 0.00 -1.03 0.00 0.00 54.13 55.62 3mfx s LEU 32 Cb 0.09 -4.33 0.61 0.00 0.03 0.00 0.00 46.19 42.59 3mfx s LEU 32 CO 0.82 -1.25 1.44 0.35 0.23 0.00 0.00 176.35 177.93 3mfx n THR 33 N -0.88 2.08 -5.14 5.49 -2.24 -1.26 -4.75 114.28 107.57 3mfx n THR 33 Ca 0.10 -1.05 -0.32 0.00 -2.27 0.00 0.00 64.05 60.51 3mfx n THR 33 Cb 0.47 -0.34 -0.15 0.00 -2.10 0.00 0.00 70.33 68.21 3mfx n THR 33 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3mfx s GLU 34 N -2.32 2.39 0.53 -0.78 0.41 -1.26 -5.04 118.70 112.63 3mfx s GLU 34 Ca 0.41 -0.84 -0.18 0.00 -0.41 0.00 0.00 54.97 53.94 3mfx s GLU 34 Cb 0.31 -2.20 -0.07 0.00 -1.78 0.00 0.00 34.13 30.40 3mfx s GLU 34 CO 0.12 0.53 1.05 0.00 -0.49 0.00 0.00 175.26 176.46 3mfx s ALA 35 N -0.51 2.82 -0.15 5.21 0.00 -1.26 -4.74 121.76 123.13 3mfx s ALA 35 Ca 0.07 0.53 -0.30 0.00 0.00 0.00 0.00 51.96 52.25 3mfx s ALA 35 Cb -0.11 -3.25 0.12 0.00 0.00 0.00 0.00 23.12 19.88 3mfx s ALA 35 CO 0.01 -0.52 0.97 -1.50 0.00 0.00 0.00 175.76 174.71 3mfx s ILE 37 N -2.16 0.00 -0.22 0.00 -1.16 -1.26 -4.42 121.20 111.98 3mfx s ILE 37 Ca 0.66 0.00 -0.04 0.00 -0.51 0.00 0.00 60.65 60.76 3mfx s ILE 37 Cb -0.16 -1.00 -0.01 0.00 0.61 0.00 0.00 42.46 41.90 3mfx s ILE 37 CO 0.27 0.00 -0.03 -0.22 -2.81 0.00 0.00 174.94 172.14 3mfx s LEU 38 N -1.15 2.95 0.15 8.50 2.96 0.60 -4.36 118.68 128.33 3mfx s LEU 38 Ca -0.02 -0.40 0.10 0.00 -0.22 0.00 0.00 54.13 53.59 3mfx s LEU 38 Cb -0.00 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 3mfx s LEU 38 CO 0.02 -0.03 -0.24 0.54 -1.32 0.00 0.00 176.35 175.32 3mfx s VAL 39 N 1.48 2.16 0.82 1.68 0.11 0.18 0.18 120.40 127.01 3mfx s VAL 39 Ca 0.06 -1.84 -0.06 0.00 -2.93 0.00 0.00 61.98 57.21 3mfx s VAL 39 Cb -0.14 -1.96 0.16 0.00 -1.53 0.00 0.00 36.38 32.91 3mfx s VAL 39 CO -0.03 -0.05 1.12 0.54 -3.33 0.00 0.00 175.10 173.35 3mfx s ASN 40 N -2.33 3.82 0.30 3.54 2.20 -0.41 -0.39 114.94 121.68 3mfx s ASN 40 Ca 0.15 -0.24 0.02 0.00 -0.94 0.00 0.00 52.86 51.85 3mfx s ASN 40 Cb -0.09 0.03 0.56 0.00 -2.00 0.00 0.00 41.25 39.76 3mfx s ASN 40 CO 0.07 -2.23 1.88 0.00 -2.94 0.00 0.00 177.10 173.88 3mfx h ALA 41 N -0.94 1.55 0.00 3.54 0.00 -1.90 -0.04 119.26 121.47 3mfx h ALA 41 Ca -0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3mfx h ALA 41 Cb 1.25 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3mfx h ALA 41 CO 0.37 0.27 0.00 0.09 0.00 0.00 0.00 179.25 179.98 3mfx n ASN 42 N -4.53 0.00 0.00 0.00 3.02 -1.26 -4.38 115.26 108.10 3mfx n ASN 42 Ca 0.16 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.95 3mfx n ASN 42 Cb 0.27 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 3mfx n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mfx n GLY 43 N -0.17 0.68 3.67 7.41 0.00 -0.03 -5.01 105.19 111.74 3mfx n GLY 43 Ca 0.05 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 3mfx n GLY 43 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mfx s PHE 44 N -2.00 3.28 -0.02 1.61 0.40 -1.26 -1.29 117.98 118.70 3mfx s PHE 44 Ca 0.00 0.14 -0.30 0.00 -0.60 0.00 0.00 56.93 56.17 3mfx s PHE 44 Cb 0.00 -2.02 -0.07 0.00 0.51 0.00 0.00 43.02 41.44 3mfx s PHE 44 CO 0.00 0.26 1.90 0.42 0.70 0.00 0.00 175.22 178.50 3mfx s ILE 45 N 0.03 3.18 -0.12 0.64 1.01 0.34 -1.29 121.20 124.99 3mfx s ILE 45 Ca 0.06 0.22 0.05 0.00 0.00 0.00 0.00 60.65 60.98 3mfx s ILE 45 Cb -0.12 -3.15 -0.24 0.00 0.01 0.00 0.00 42.46 38.96 3mfx s ILE 45 CO 0.01 -0.03 0.37 -1.14 0.00 0.00 0.00 174.94 174.15 3mfx n ARG 46 N 7.56 0.69 -3.70 2.79 3.00 0.13 -0.51 116.66 126.61 3mfx n ARG 46 Ca 0.20 0.22 -0.12 0.00 -0.00 0.00 0.00 57.85 58.15 3mfx n ARG 46 Cb 0.42 -1.69 -0.07 0.00 0.00 0.00 0.00 32.46 31.12 3mfx n ARG 46 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3mfx s SER 47 N -6.39 -0.22 0.29 6.15 0.15 -0.77 -4.85 113.70 108.06 3mfx s SER 47 Ca -0.15 -0.08 -0.15 0.00 0.70 0.00 0.00 55.95 56.26 3mfx s SER 47 Cb 0.07 0.40 0.01 0.00 -1.71 0.00 0.00 66.02 64.79 3mfx s SER 47 CO 0.78 -0.64 0.61 0.00 1.20 0.00 0.00 173.24 175.18 3mfx s ASN 49 N -3.01 3.17 0.43 0.00 2.20 -1.26 -4.65 114.94 111.82 3mfx s ASN 49 Ca 0.18 -1.33 0.10 0.00 -0.94 0.00 0.00 52.86 50.87 3mfx s ASN 49 Cb -0.03 -0.25 0.95 0.00 -2.00 0.00 0.00 41.25 39.92 3mfx s ASN 49 CO 0.10 -0.47 2.05 -0.61 -2.94 0.00 0.00 177.10 175.23 3mfx h GLN 50 N 1.99 0.44 -0.86 3.55 5.75 -1.91 -1.80 115.11 122.28 3mfx h GLN 50 Ca -0.42 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.06 3mfx h GLN 50 Cb 1.24 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 29.65 3mfx h GLN 50 CO 0.74 0.29 0.55 0.00 -2.65 0.00 0.00 178.83 177.76 3mfx h ARG 51 N 0.46 1.14 -0.23 1.69 2.47 -1.87 -0.74 114.38 117.29 3mfx h ARG 51 Ca 0.17 -0.08 -0.13 0.00 -1.26 0.00 0.00 59.98 58.68 3mfx h ARG 51 Cb 0.10 -0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 28.16 3mfx h ARG 51 CO -0.04 0.77 -0.40 0.66 0.56 0.00 0.00 179.97 181.52 3mfx h SER 52 N 1.17 0.56 -0.33 7.04 4.64 -1.63 -1.27 113.55 123.72 3mfx h SER 52 Ca 0.31 -0.25 -0.05 0.00 -0.47 0.00 0.00 61.79 61.33 3mfx h SER 52 Cb -0.11 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 61.81 3mfx h SER 52 CO -0.06 0.90 0.04 0.00 -0.87 0.00 0.00 176.83 176.83 3mfx h ALA 53 N 1.13 1.28 0.03 5.18 0.00 -0.94 0.19 119.26 126.13 3mfx h ALA 53 Ca 0.04 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3mfx h ALA 53 Cb 0.89 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3mfx h ALA 53 CO 0.08 0.49 -0.02 1.49 0.00 0.00 0.00 179.25 181.29 3mfx h GLU 54 N 0.63 -0.04 -0.75 0.00 4.57 -0.82 -0.34 114.58 117.83 3mfx h GLU 54 Ca 0.13 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.27 3mfx h GLU 54 Cb 0.34 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.91 3mfx h GLU 54 CO 0.01 0.36 0.27 1.25 -1.18 0.00 0.00 179.01 179.72 3mfx h LEU 55 N -0.45 1.05 -0.67 1.64 6.46 -1.02 -2.49 115.31 119.82 3mfx h LEU 55 Ca -0.00 -0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.58 3mfx h LEU 55 Cb 0.42 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.08 3mfx h LEU 55 CO 0.01 0.95 0.00 0.18 -0.62 0.00 0.00 178.44 178.95 3mfx n LEU 56 N -4.27 1.02 -2.54 2.25 4.32 0.65 -4.91 117.00 113.53 3mfx n LEU 56 Ca 0.06 -0.40 -0.16 0.00 -0.02 0.00 0.00 56.01 55.49 3mfx n LEU 56 Cb 0.20 -0.05 -0.00 0.00 -1.62 0.00 0.00 43.42 41.95 3mfx n LEU 56 CO 0.41 0.20 -0.17 0.47 -1.22 0.00 0.00 177.39 177.08 3mfx n ASP 57 N -0.14 -4.67 -4.20 -1.43 10.43 -0.53 -1.33 116.55 114.69 3mfx n ASP 57 Ca 0.17 0.05 -0.27 0.00 2.57 0.00 0.00 54.79 57.32 3mfx n ASP 57 Cb 0.24 -3.91 -0.16 0.00 1.84 0.00 0.00 41.12 39.13 3mfx n ASP 57 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3mfx s PRO 59 N -0.36 4.18 0.25 0.00 0.04 -1.26 -4.38 135.00 133.48 3mfx s PRO 59 Ca 0.05 2.43 -0.04 0.00 0.04 0.00 0.00 61.00 63.48 3mfx s PRO 59 Cb -0.09 -2.99 0.48 0.00 0.04 0.00 0.00 34.50 31.94 3mfx s PRO 59 CO -0.00 -0.41 1.73 0.37 0.04 0.00 0.00 177.00 178.72 3mfx h GLN 60 N 3.11 0.43 0.00 4.56 4.15 -1.92 -0.47 115.11 124.97 3mfx h GLN 60 Ca -0.50 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 58.87 3mfx h GLN 60 Cb 1.24 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.82 3mfx h GLN 60 CO 0.64 0.29 -0.10 -0.24 -1.93 0.00 0.00 178.83 177.49 3mfx h VAL 61 N 0.44 0.55 0.00 2.39 3.04 -1.97 -2.67 116.25 118.04 3mfx h VAL 61 Ca 0.43 -0.45 -0.02 0.00 -1.01 0.00 0.00 66.70 65.64 3mfx h VAL 61 Cb 0.66 1.29 -0.00 0.00 -2.01 0.00 0.00 31.29 31.23 3mfx h VAL 61 CO -0.41 0.10 -1.02 0.28 -1.01 0.00 0.00 177.57 175.51 3mfx h SER 62 N 0.00 0.00 -0.20 3.17 0.02 -1.47 -3.37 113.55 111.70 3mfx h SER 62 Ca -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 3mfx h SER 62 Cb 0.29 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 3mfx h SER 62 CO 0.01 0.07 -0.00 -0.07 -1.14 0.00 0.00 176.83 175.70 3mfx h LEU 63 N 0.00 0.35 -9.73 5.07 3.38 -1.05 -3.41 115.31 109.93 3mfx h LEU 63 Ca -0.02 -0.31 -0.54 0.00 0.09 0.00 0.00 57.88 57.11 3mfx h LEU 63 Cb 1.07 -0.10 0.08 0.00 0.09 0.00 0.00 40.66 41.80 3mfx h LEU 63 CO 0.01 0.58 0.90 1.17 0.09 0.00 0.00 178.44 181.18 3mfx n LYS 64 N -4.69 2.66 0.00 1.13 4.81 -1.24 -2.24 118.16 118.60 3mfx n LYS 64 Ca -0.04 0.95 0.00 0.00 -0.87 0.00 0.00 58.31 58.35 3mfx n LYS 64 Cb 0.23 -2.75 0.00 0.00 0.02 0.00 0.00 35.03 32.53 3mfx n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3mfx n GLY 65 N 2.76 3.36 3.82 3.14 0.00 0.34 -5.00 105.19 113.61 3mfx n GLY 65 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 3mfx n GLY 65 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mfx s GLN 66 N -0.73 2.01 -0.30 1.61 -0.21 -0.95 -4.61 119.66 116.48 3mfx s GLN 66 Ca 0.00 0.51 -0.21 0.00 0.02 0.00 0.00 55.36 55.69 3mfx s GLN 66 Cb 0.00 -1.92 -0.01 0.00 1.00 0.00 0.00 33.01 32.08 3mfx s GLN 66 CO 0.00 -1.64 0.65 0.34 -2.12 0.00 0.00 175.29 172.52 3mfx s ASP 67 N -4.04 6.53 0.52 5.90 3.68 -1.26 -0.51 116.67 127.49 3mfx s ASP 67 Ca 0.61 0.49 0.28 0.00 2.13 0.00 0.00 52.55 56.05 3mfx s ASP 67 Cb -0.14 -2.34 1.52 0.00 -1.45 0.00 0.00 42.92 40.51 3mfx s ASP 67 CO 0.53 -0.49 1.83 4.11 0.13 0.00 0.00 175.17 181.28 3mfx h TRP 68 N 8.15 0.00 0.00 -5.34 5.08 -1.56 0.28 115.95 122.57 3mfx h TRP 68 Ca -0.26 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.71 3mfx h TRP 68 Cb 1.11 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.27 3mfx h TRP 68 CO 0.76 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.92 3mfx h ARG 69 N 0.00 0.00 0.00 0.12 -0.00 -1.91 -2.28 114.38 110.31 3mfx h ARG 69 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 3mfx h ARG 69 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.33 3mfx h ARG 69 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.97 180.06 3mfx n ASN 70 N -2.60 0.30 -0.81 7.04 3.02 0.99 -1.90 115.26 121.29 3mfx n ASN 70 Ca -0.00 0.58 0.07 0.00 -0.03 0.00 0.00 54.58 55.20 3mfx n ASN 70 Cb 0.16 -0.64 0.21 0.00 -0.61 0.00 0.00 39.78 38.90 3mfx n ASN 70 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3mfx n PHE 71 N -1.84 0.72 -4.09 3.10 3.72 -0.86 -4.83 117.46 113.38 3mfx n PHE 71 Ca 0.02 -0.64 -0.23 0.00 -0.05 0.00 0.00 57.45 56.56 3mfx n PHE 71 Cb 0.18 -0.14 -0.04 0.00 -0.94 0.00 0.00 39.48 38.53 3mfx n PHE 71 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3mfx s LEU 72 N -1.69 3.86 0.56 4.37 1.43 -0.80 -1.02 118.68 125.40 3mfx s LEU 72 Ca 0.32 -0.19 -0.20 0.00 -1.03 0.00 0.00 54.13 53.03 3mfx s LEU 72 Cb 0.21 -2.41 -0.05 0.00 0.03 0.00 0.00 46.19 43.98 3mfx s LEU 72 CO 0.14 -0.02 1.21 0.28 0.23 0.00 0.00 176.35 178.20 3mfx s THR 73 N -2.03 2.70 0.12 5.49 -1.32 -1.26 -4.60 115.64 114.75 3mfx s THR 73 Ca 0.33 0.46 -0.33 0.00 -1.21 0.00 0.00 61.69 60.94 3mfx s THR 73 Cb -0.08 -3.20 -0.12 0.00 -1.51 0.00 0.00 72.50 67.59 3mfx s THR 73 CO 0.25 -0.07 1.54 -0.08 -2.21 0.00 0.00 174.62 174.04 3mfx h GLU 74 N 1.15 -0.49 -3.49 7.08 4.81 -1.96 -2.70 114.58 118.98 3mfx h GLU 74 Ca -0.50 0.03 -0.76 0.00 -0.13 0.00 0.00 59.36 58.00 3mfx h GLU 74 Cb 1.29 0.11 -0.17 0.00 0.63 0.00 0.00 28.75 30.61 3mfx h GLU 74 CO 0.56 -0.33 1.89 1.58 -0.73 0.00 0.00 179.01 181.99 3mfx n HIS 75 N -5.34 2.95 -2.46 0.92 -0.00 -1.26 -4.98 115.22 105.05 3mfx n HIS 75 Ca -0.05 -2.79 -0.24 0.00 0.46 0.00 0.00 57.72 55.10 3mfx n HIS 75 Cb 0.36 -1.89 0.09 0.00 -0.12 0.00 0.00 29.99 28.42 3mfx n HIS 75 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 3mfx s HIS 76 N 0.14 2.23 -0.02 1.57 -3.43 -1.02 -5.00 115.29 109.76 3mfx s HIS 76 Ca 0.39 0.00 -0.30 0.00 -0.80 0.00 0.00 55.06 54.36 3mfx s HIS 76 Cb 0.09 -3.07 -0.08 0.00 -1.43 0.00 0.00 32.58 28.09 3mfx s HIS 76 CO 0.01 -1.49 2.04 1.04 -2.00 0.00 0.00 174.74 174.34 3mfx n GLN 77 N -2.80 2.66 -0.24 -0.38 6.02 -1.26 -4.82 117.38 116.56 3mfx n GLN 77 Ca 0.12 0.93 0.30 0.00 -0.01 0.00 0.00 57.00 58.34 3mfx n GLN 77 Cb 0.60 -3.07 0.71 0.00 1.02 0.00 0.00 30.24 29.50 3mfx n GLN 77 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3mfx h ALA 78 N 11.70 2.88 -0.85 -1.58 0.00 -2.00 0.39 119.26 129.80 3mfx h ALA 78 Ca -0.48 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 54.56 3mfx h ALA 78 Cb 1.24 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 3mfx h ALA 78 CO 0.94 -1.17 0.55 -0.09 0.00 0.00 0.00 179.25 179.49 3mfx h ARG 79 N 0.04 0.55 0.00 0.00 2.43 -1.93 -0.09 114.38 115.37 3mfx h ARG 79 Ca 0.48 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 3mfx h ARG 79 Cb 1.86 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.29 3mfx h ARG 79 CO -0.03 0.36 0.00 0.66 -1.51 0.00 0.00 179.97 179.45 3mfx n TYR 80 N -4.53 0.00 0.18 2.20 4.01 0.14 -2.20 117.16 116.95 3mfx n TYR 80 Ca 0.17 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 58.00 3mfx n TYR 80 Cb 0.52 -0.29 0.10 0.00 -0.31 0.00 0.00 39.34 39.36 3mfx n TYR 80 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3mfx h ASP 81 N 0.00 0.00 -2.58 7.72 3.45 -1.15 -3.41 116.42 120.45 3mfx h ASP 81 Ca 0.00 0.00 -0.56 0.00 0.43 0.00 0.00 57.03 56.90 3mfx h ASP 81 Cb 0.13 0.00 -0.39 0.00 -0.56 0.00 0.00 39.33 38.51 3mfx h ASP 81 CO 0.00 0.15 -0.83 0.21 -1.57 0.00 0.00 179.24 177.19 3mfx s ASN 82 N -6.13 2.96 0.18 6.45 2.47 -0.94 -5.01 114.94 114.93 3mfx s ASN 82 Ca 0.05 -2.04 -0.13 0.00 0.42 0.00 0.00 52.86 51.16 3mfx s ASN 82 Cb 0.06 -0.35 0.08 0.00 -1.45 0.00 0.00 41.25 39.60 3mfx s ASN 82 CO 0.71 -0.32 1.82 -0.07 -3.72 0.00 0.00 177.10 175.52 3mfx h LEU 83 N 7.20 0.70 -0.33 3.21 3.38 -1.77 -2.56 115.31 125.13 3mfx h LEU 83 Ca 0.03 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3mfx h LEU 83 Cb 0.98 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3mfx h LEU 83 CO 0.28 0.54 0.00 -0.11 0.09 0.00 0.00 178.44 179.25 3mfx n LEU 84 N -4.64 0.74 -3.76 1.67 -0.00 -1.26 0.38 117.00 110.14 3mfx n LEU 84 Ca 0.04 0.62 -0.27 0.00 -0.00 0.00 0.00 56.01 56.40 3mfx n LEU 84 Cb 0.05 -0.44 -0.17 0.00 -0.00 0.00 0.00 43.42 42.86 3mfx n LEU 84 CO 0.36 -0.36 -0.38 -0.44 -0.00 0.00 0.00 177.39 176.57 3mfx s SER 85 N -4.39 2.64 0.00 1.96 0.01 -0.97 -4.14 113.70 108.82 3mfx s SER 85 Ca 0.08 -0.66 0.00 0.00 1.31 0.00 0.00 55.95 56.68 3mfx s SER 85 Cb 0.11 -0.60 0.00 0.00 0.21 0.00 0.00 66.02 65.74 3mfx s SER 85 CO 0.50 -0.27 0.00 1.67 0.41 0.00 0.00 173.24 175.55 3mfx n GLN 96 N 5.05 0.00 -1.56 12.44 7.27 -1.26 -4.32 117.38 135.00 3mfx n GLN 96 Ca -0.09 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.64 3mfx n GLN 96 Cb 0.48 0.00 0.07 0.00 2.41 0.00 0.00 30.24 33.20 3mfx n GLN 96 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 3mfx s PRO 97 N 0.00 2.40 0.14 3.69 0.04 -1.26 -4.91 135.00 135.10 3mfx s PRO 97 Ca 0.00 1.62 -0.34 0.00 0.04 0.00 0.00 61.00 62.33 3mfx s PRO 97 Cb 0.00 -1.88 -0.13 0.00 0.04 0.00 0.00 34.50 32.53 3mfx s PRO 97 CO 0.00 -1.61 1.63 0.28 0.04 0.00 0.00 177.00 177.34 3mfx n VAL 98 N -2.58 0.07 -3.65 -0.36 0.31 0.16 -4.96 118.33 107.32 3mfx n VAL 98 Ca 0.12 -0.01 -0.04 0.00 -0.01 0.00 0.00 64.34 64.40 3mfx n VAL 98 Cb 0.51 -1.64 -0.07 0.00 -0.91 0.00 0.00 33.84 31.73 3mfx n VAL 98 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mfx s GLN 99 N 1.29 0.22 -0.18 5.55 -2.07 -1.26 -4.42 119.66 118.79 3mfx s GLN 99 Ca 0.80 0.28 -0.33 0.00 -1.82 0.00 0.00 55.36 54.29 3mfx s GLN 99 Cb -0.65 0.09 0.14 0.00 -1.09 0.00 0.00 33.01 31.50 3mfx s GLN 99 CO 0.38 -0.03 1.16 -3.38 -1.32 0.00 0.00 175.29 172.10 3mfx s HIS 100 N 0.33 -0.18 1.12 9.60 -3.43 -0.17 -4.96 115.29 117.61 3mfx s HIS 100 Ca 0.03 0.19 -0.17 0.00 -0.80 0.00 0.00 55.06 54.31 3mfx s HIS 100 Cb -0.05 0.50 0.25 0.00 -1.43 0.00 0.00 32.58 31.86 3mfx s HIS 100 CO -0.12 -0.24 1.12 -1.25 -2.00 0.00 0.00 174.74 172.24 3mfx s PRO 101 N -2.06 -0.57 0.01 -0.38 0.04 -1.26 -1.12 135.00 129.65 3mfx s PRO 101 Ca 0.07 0.09 -0.34 0.00 0.04 0.00 0.00 61.00 60.87 3mfx s PRO 101 Cb -0.01 -1.66 -0.12 0.00 0.04 0.00 0.00 34.50 32.75 3mfx s PRO 101 CO -0.05 -3.31 1.80 0.00 0.04 0.00 0.00 177.00 175.48 3mfx n ALA 102 N -4.51 1.18 -2.99 8.56 0.00 -1.25 -4.44 120.51 117.07 3mfx n ALA 102 Ca 0.11 0.33 -0.10 0.00 0.00 0.00 0.00 53.44 53.77 3mfx n ALA 102 Cb 0.59 -2.48 -0.11 0.00 0.00 0.00 0.00 19.45 17.45 3mfx n ALA 102 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3mfx s GLN 103 N 3.11 0.30 -0.02 0.00 -2.07 0.29 -4.84 119.66 116.43 3mfx s GLN 103 Ca 0.88 -0.48 -0.36 0.00 -1.82 0.00 0.00 55.36 53.57 3mfx s GLN 103 Cb -0.65 0.11 -0.15 0.00 -1.09 0.00 0.00 33.01 31.23 3mfx s GLN 103 CO 0.46 -0.05 1.60 0.39 -1.32 0.00 0.00 175.29 176.37 3mfx n GLU 104 N 1.79 1.59 -3.80 9.60 1.02 -1.26 -1.40 120.64 128.18 3mfx n GLU 104 Ca -0.22 0.58 -0.13 0.00 -0.02 0.00 0.00 57.16 57.37 3mfx n GLU 104 Cb 0.56 -2.30 -0.11 0.00 -0.02 0.00 0.00 31.44 29.57 3mfx n GLU 104 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3mfx s THR 105 N 2.03 0.01 -0.23 2.62 2.01 0.20 -4.87 115.64 117.42 3mfx s THR 105 Ca 0.88 -0.11 -0.09 0.00 0.31 0.00 0.00 61.69 62.68 3mfx s THR 105 Cb -0.87 -0.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 3mfx s THR 105 CO 0.50 -0.06 0.11 -0.89 -0.69 0.00 0.00 174.62 173.59 3mfx s THR 106 N -0.15 4.91 0.18 -0.82 2.01 -1.26 0.20 115.64 120.71 3mfx s THR 106 Ca -0.03 0.02 0.07 0.00 0.31 0.00 0.00 61.69 62.07 3mfx s THR 106 Cb -0.03 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 3mfx s THR 106 CO 0.01 0.38 0.01 -0.76 -0.69 0.00 0.00 174.62 173.56 3mfx s LEU 107 N 1.01 3.34 -0.27 4.42 1.02 -0.29 -4.00 118.68 123.91 3mfx s LEU 107 Ca 0.05 -0.39 -0.04 0.00 0.02 0.00 0.00 54.13 53.77 3mfx s LEU 107 Cb -0.14 -1.98 0.02 0.00 0.02 0.00 0.00 46.19 44.11 3mfx s LEU 107 CO 0.04 0.08 0.02 -0.63 0.02 0.00 0.00 176.35 175.87 3mfx s ILE 108 N -1.78 3.49 0.78 -0.59 -1.09 -0.19 -0.44 121.20 121.38 3mfx s ILE 108 Ca 0.28 -0.84 -0.11 0.00 -2.23 0.00 0.00 60.65 57.75 3mfx s ILE 108 Cb -0.09 -2.79 0.06 0.00 -1.58 0.00 0.00 42.46 38.06 3mfx s ILE 108 CO 0.19 0.13 1.08 0.00 -1.23 0.00 0.00 174.94 175.12 3mfx h ALA 110 N -1.05 1.72 0.00 0.00 0.00 -1.44 0.20 119.26 118.69 3mfx h ALA 110 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3mfx h ALA 110 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3mfx h ALA 110 CO 0.57 -0.08 0.00 -1.13 0.00 0.00 0.00 179.25 178.61 3mfx n SER 111 N -4.01 0.36 0.00 0.00 3.41 -1.26 -4.86 113.62 107.25 3mfx n SER 111 Ca -0.02 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 3mfx n SER 111 Cb 0.15 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 3mfx n SER 111 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mfx n GLY 112 N 0.34 0.57 3.83 5.00 0.00 0.71 -5.07 105.19 110.58 3mfx n GLY 112 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3mfx n GLY 112 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mfx s LYS 113 N -0.82 3.96 0.42 1.61 -2.85 -1.25 -4.76 119.74 116.03 3mfx s LYS 113 Ca 0.00 0.44 -0.20 0.00 -1.00 0.00 0.00 55.97 55.21 3mfx s LYS 113 Cb 0.00 -3.23 -0.11 0.00 -2.06 0.00 0.00 37.83 32.43 3mfx s LYS 113 CO 0.00 0.66 0.92 0.00 0.10 0.00 0.00 175.35 177.04 3mfx s ALA 114 N -1.00 3.08 -0.13 0.59 0.00 -1.26 -0.87 121.76 122.16 3mfx s ALA 114 Ca 0.24 0.34 -0.05 0.00 0.00 0.00 0.00 51.96 52.49 3mfx s ALA 114 Cb -0.17 -3.10 0.06 0.00 0.00 0.00 0.00 23.12 19.91 3mfx s ALA 114 CO 0.14 0.14 0.28 0.21 0.00 0.00 0.00 175.76 176.53 3mfx s LYS 115 N -3.19 0.20 -0.14 0.00 2.20 0.42 -4.92 119.74 114.31 3mfx s LYS 115 Ca 0.61 0.68 -0.29 0.00 -0.36 0.00 0.00 55.97 56.61 3mfx s LYS 115 Cb -0.09 -0.05 -0.01 0.00 -1.51 0.00 0.00 37.83 36.18 3mfx s LYS 115 CO 0.14 -0.22 1.01 -0.51 -0.36 0.00 0.00 175.35 175.41 3mfx s ASP 116 N 1.88 7.20 0.28 1.43 1.01 -1.26 -1.14 116.67 126.07 3mfx s ASP 116 Ca -0.04 1.48 0.02 0.00 0.71 0.00 0.00 52.55 54.73 3mfx s ASP 116 Cb -0.11 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.23 3mfx s ASP 116 CO -0.09 -0.50 0.16 0.68 0.21 0.00 0.00 175.17 175.62 3mfx s VAL 117 N 2.32 0.25 -0.40 -1.27 -7.23 0.13 -3.71 120.40 110.49 3mfx s VAL 117 Ca 0.47 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.60 3mfx s VAL 117 Cb -0.17 -2.52 0.10 0.00 0.56 0.00 0.00 36.38 34.35 3mfx s VAL 117 CO 0.15 0.00 0.20 -0.70 -0.31 0.00 0.00 175.10 174.44 3mfx s GLU 118 N -3.88 2.13 -0.03 4.82 2.12 0.42 0.62 118.70 124.91 3mfx s GLU 118 Ca 0.37 -1.73 -0.16 0.00 0.36 0.00 0.00 54.97 53.81 3mfx s GLU 118 Cb 0.05 -3.59 -0.05 0.00 0.26 0.00 0.00 34.13 30.80 3mfx s GLU 118 CO 0.17 -1.03 0.45 -1.17 -0.54 0.00 0.00 175.26 173.14 3mfx s LEU 119 N 1.19 4.42 0.06 2.70 2.96 -0.50 -1.92 118.68 127.59 3mfx s LEU 119 Ca 0.06 0.95 0.07 0.00 -0.22 0.00 0.00 54.13 54.99 3mfx s LEU 119 Cb -0.23 -2.66 -0.03 0.00 0.50 0.00 0.00 46.19 43.78 3mfx s LEU 119 CO -0.03 0.21 -0.19 -0.94 -1.32 0.00 0.00 176.35 174.08 3mfx s SER 120 N -0.52 2.24 -0.05 3.68 1.04 -0.31 -0.55 113.70 119.24 3mfx s SER 120 Ca 0.25 -0.56 0.03 0.00 0.48 0.00 0.00 55.95 56.16 3mfx s SER 120 Cb -0.17 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.81 3mfx s SER 120 CO 0.13 0.09 -0.14 -0.63 0.98 0.00 0.00 173.24 173.67 3mfx s ILE 121 N -0.94 1.22 -0.04 -1.02 1.01 -0.27 -1.58 121.20 119.57 3mfx s ILE 121 Ca 0.05 -0.57 0.06 0.00 0.00 0.00 0.00 60.65 60.19 3mfx s ILE 121 Cb -0.09 -1.07 -0.01 0.00 0.01 0.00 0.00 42.46 41.30 3mfx s ILE 121 CO 0.02 0.36 -0.23 -0.44 0.00 0.00 0.00 174.94 174.66 3mfx s SER 122 N 0.28 2.80 -0.16 3.58 0.01 -0.23 -0.99 113.70 118.98 3mfx s SER 122 Ca -0.08 -0.46 -0.12 0.00 1.31 0.00 0.00 55.95 56.60 3mfx s SER 122 Cb -0.12 -0.65 -0.05 0.00 0.21 0.00 0.00 66.02 65.40 3mfx s SER 122 CO 0.02 0.24 0.24 -0.47 0.41 0.00 0.00 173.24 173.68 3mfx s TYR 123 N -0.22 3.47 -0.26 2.43 5.04 -1.26 -1.22 117.35 125.32 3mfx s TYR 123 Ca -0.00 0.53 0.00 0.00 -2.44 0.00 0.00 57.07 55.16 3mfx s TYR 123 Cb -0.12 -2.26 0.04 0.00 0.35 0.00 0.00 41.96 39.97 3mfx s TYR 123 CO 0.02 0.30 -0.08 0.42 -1.34 0.00 0.00 175.55 174.87 3mfx s ILE 124 N 0.28 2.53 0.68 3.14 -1.09 -1.26 -5.01 121.20 120.48 3mfx s ILE 124 Ca 0.14 -1.35 -0.13 0.00 -2.23 0.00 0.00 60.65 57.08 3mfx s ILE 124 Cb -0.12 -2.39 0.01 0.00 -1.58 0.00 0.00 42.46 38.38 3mfx s ILE 124 CO 0.03 0.07 1.09 -2.16 -1.23 0.00 0.00 174.94 172.73 3mfx s PRO 125 N 1.21 2.78 0.00 2.79 0.04 -1.26 -4.47 135.00 136.09 3mfx s PRO 125 Ca -0.04 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.22 3mfx s PRO 125 Cb -0.18 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3mfx s PRO 125 CO -0.05 -1.25 0.00 0.41 0.04 0.00 0.00 177.00 176.16 3mfx n GLY 126 N -1.04 3.25 0.39 0.56 0.00 -1.26 -4.81 105.19 102.28 3mfx n GLY 126 Ca 0.09 -0.98 0.21 0.00 0.00 0.00 0.00 46.02 45.34 3mfx n GLY 126 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3mfx h HIS 127 N 0.00 0.00 -2.93 1.61 3.86 -2.04 -2.36 115.15 113.28 3mfx h HIS 127 Ca 0.00 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.60 3mfx h HIS 127 Cb 0.00 0.00 -0.41 0.00 1.06 0.00 0.00 27.41 28.06 3mfx h HIS 127 CO 0.00 0.00 -0.70 -1.21 0.86 0.00 0.00 177.93 176.88 3mfx s GLU 128 N -4.73 1.87 1.27 2.45 2.02 -1.26 -5.18 118.70 115.14 3mfx s GLU 128 Ca -0.05 -2.78 -0.18 0.00 0.02 0.00 0.00 54.97 51.98 3mfx s GLU 128 Cb 0.17 -2.78 0.29 0.00 0.10 0.00 0.00 34.13 31.91 3mfx s GLU 128 CO 0.61 -1.27 0.71 -0.35 0.02 0.00 0.00 175.26 174.97 3mfx n PRO 129 N 2.53 -3.36 -3.64 0.39 -0.04 -0.89 -5.00 135.00 124.99 3mfx n PRO 129 Ca 0.19 -0.98 -0.06 0.00 -0.04 0.00 0.00 63.50 62.61 3mfx n PRO 129 Cb 0.38 -1.89 -0.07 0.00 -0.04 0.00 0.00 33.50 31.88 3mfx n PRO 129 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3mfx s PHE 131 N -2.21 -0.60 0.42 0.54 0.40 0.48 -3.25 117.98 113.76 3mfx s PHE 131 Ca 0.61 1.28 0.01 0.00 -0.60 0.00 0.00 56.93 58.24 3mfx s PHE 131 Cb -0.15 0.38 0.01 0.00 0.51 0.00 0.00 43.02 43.77 3mfx s PHE 131 CO 0.57 -0.29 0.06 1.55 0.70 0.00 0.00 175.22 177.81 3mfx n VAL 132 N 3.18 0.00 -3.90 -0.44 3.14 -0.36 0.47 118.33 120.42 3mfx n VAL 132 Ca -0.16 -1.93 0.01 0.00 -2.96 0.00 0.00 64.34 59.29 3mfx n VAL 132 Cb 0.57 0.30 0.01 0.00 -1.06 0.00 0.00 33.84 33.66 3mfx n VAL 132 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 3mfx n VAL 134 N -1.13 0.00 -3.38 1.55 0.31 -0.62 -1.07 118.33 113.99 3mfx n VAL 134 Ca -0.14 -0.21 0.02 0.00 -0.01 0.00 0.00 64.34 63.99 3mfx n VAL 134 Cb 0.52 0.46 -0.04 0.00 -0.91 0.00 0.00 33.84 33.87 3mfx n VAL 134 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 3mfx s HIS 136 N -2.61 -0.49 -0.39 3.52 3.76 -0.81 -1.16 115.29 117.11 3mfx s HIS 136 Ca 0.20 0.86 -0.22 0.00 -0.15 0.00 0.00 55.06 55.74 3mfx s HIS 136 Cb -0.01 0.29 0.01 0.00 1.11 0.00 0.00 32.58 33.98 3mfx s HIS 136 CO 0.01 -0.24 0.73 0.34 -0.85 0.00 0.00 174.74 174.73 3mfx s ASP 137 N 2.17 6.46 0.00 1.40 2.15 -1.26 -0.44 116.67 127.16 3mfx s ASP 137 Ca -0.03 0.11 0.13 0.00 0.43 0.00 0.00 52.55 53.19 3mfx s ASP 137 Cb -0.04 -2.37 0.76 0.00 -0.30 0.00 0.00 42.92 40.97 3mfx s ASP 137 CO -0.17 -0.74 1.19 0.18 -0.17 0.00 0.00 175.17 175.46