#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fm7 s PHE 10 N 0.00 2.80 -0.94 0.00 5.36 -1.26 -4.95 117.98 118.99 3fm7 s PHE 10 Ca 0.00 -1.16 -0.24 0.00 -0.96 0.00 0.00 56.93 54.56 3fm7 s PHE 10 Cb 0.00 -4.55 -0.05 0.00 -0.34 0.00 0.00 43.02 38.08 3fm7 s PHE 10 CO 0.00 -1.75 1.94 0.42 -1.46 0.00 0.00 175.22 174.37 3fm7 s ILE 11 N 3.97 3.47 0.13 3.12 1.01 -1.26 -4.77 121.20 126.87 3fm7 s ILE 11 Ca 0.42 -0.46 -0.09 0.00 0.00 0.00 0.00 60.65 60.53 3fm7 s ILE 11 Cb -0.01 -4.10 -0.13 0.00 0.01 0.00 0.00 42.46 38.22 3fm7 s ILE 11 CO -0.08 -0.97 1.36 1.62 0.00 0.00 0.00 174.94 176.87 3fm7 h VAL 12 N 7.10 1.31 -0.26 2.92 3.04 -1.94 0.32 116.25 128.74 3fm7 h VAL 12 Ca 0.12 -1.99 -0.05 0.00 -1.01 0.00 0.00 66.70 63.77 3fm7 h VAL 12 Cb 1.00 1.97 -0.01 0.00 -2.01 0.00 0.00 31.29 32.23 3fm7 h VAL 12 CO 1.22 0.62 -0.06 0.44 -1.01 0.00 0.00 177.57 178.78 3fm7 h ASP 13 N 0.47 0.38 0.14 3.17 3.45 -1.98 0.21 116.42 122.26 3fm7 h ASP 13 Ca -0.04 -0.07 -0.27 0.00 0.43 0.00 0.00 57.03 57.08 3fm7 h ASP 13 Cb 1.34 -0.10 0.03 0.00 -0.56 0.00 0.00 39.33 40.04 3fm7 h ASP 13 CO 0.14 0.48 -1.15 -0.78 -1.57 0.00 0.00 179.24 176.37 3fm7 h ASP 14 N 0.38 0.77 0.70 6.45 1.82 -1.87 -3.14 116.42 121.54 3fm7 h ASP 14 Ca 0.08 -0.86 0.00 0.00 -0.39 0.00 0.00 57.03 55.86 3fm7 h ASP 14 Cb 0.35 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.11 3fm7 h ASP 14 CO 0.02 1.56 0.00 0.55 -1.61 0.00 0.00 179.24 179.75 3fm7 n VAL 15 N -3.88 0.50 0.31 2.25 3.14 0.07 -2.46 118.33 118.27 3fm7 n VAL 15 Ca -0.14 0.13 -0.17 0.00 -2.96 0.00 0.00 64.34 61.20 3fm7 n VAL 15 Cb 0.95 -0.76 -0.09 0.00 -1.06 0.00 0.00 33.84 32.89 3fm7 n VAL 15 CO 0.00 0.00 0.00 -1.28 -6.46 0.00 0.00 176.83 169.09 3fm7 h SER 16 N 0.00 -0.64 -0.97 6.55 0.87 -0.52 -3.21 113.55 115.63 3fm7 h SER 16 Ca 0.00 0.01 0.08 0.00 -1.23 0.00 0.00 61.79 60.65 3fm7 h SER 16 Cb 0.35 0.16 -0.07 0.00 -0.44 0.00 0.00 62.40 62.41 3fm7 h SER 16 CO 0.00 -0.43 0.62 0.11 -0.53 0.00 0.00 176.83 176.60 3fm7 h LYS 17 N -0.79 1.05 -0.98 2.24 1.57 -1.54 -2.30 116.57 115.82 3fm7 h LYS 17 Ca -0.08 -0.06 0.17 0.00 -1.87 0.00 0.00 60.65 58.81 3fm7 h LYS 17 Cb 0.59 -0.24 -0.09 0.00 0.08 0.00 0.00 32.23 32.58 3fm7 h LYS 17 CO 0.13 0.70 0.61 1.15 -0.57 0.00 0.00 179.45 181.46 3fm7 h THR 18 N 1.08 0.77 0.10 -0.16 2.02 -1.54 -0.47 112.91 114.71 3fm7 h THR 18 Ca 0.44 -0.26 -0.29 0.00 0.77 0.00 0.00 66.41 67.07 3fm7 h THR 18 Cb 0.26 -0.05 0.03 0.00 -1.74 0.00 0.00 68.15 66.64 3fm7 h THR 18 CO -0.20 0.14 -1.18 0.40 0.37 0.00 0.00 175.52 175.04 3fm7 h ILE 19 N 0.75 1.29 0.00 3.11 1.08 -1.43 -2.91 117.51 119.41 3fm7 h ILE 19 Ca 0.53 -2.42 0.00 0.00 -0.39 0.00 0.00 64.86 62.58 3fm7 h ILE 19 Cb 0.83 2.67 0.00 0.00 -3.07 0.00 0.00 36.82 37.25 3fm7 h ILE 19 CO -0.30 0.73 0.00 0.29 -0.69 0.00 0.00 178.15 178.18 3fm7 n LYS 20 N -3.83 0.01 0.00 2.37 5.02 -0.60 -0.51 118.16 120.61 3fm7 n LYS 20 Ca -0.13 0.35 0.12 0.00 -2.02 0.00 0.00 58.31 56.63 3fm7 n LYS 20 Cb 0.96 -1.50 0.23 0.00 -0.02 0.00 0.00 35.03 34.70 3fm7 n LYS 20 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3fm7 n GLU 21 N -1.49 0.03 -0.11 1.97 1.02 -0.29 -3.57 120.64 118.20 3fm7 n GLU 21 Ca 0.02 -0.02 0.01 0.00 -0.02 0.00 0.00 57.16 57.15 3fm7 n GLU 21 Cb 0.09 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.06 3fm7 n GLU 21 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fm7 n ALA 22 N -1.47 2.66 -0.00 0.62 0.00 0.34 -2.92 120.51 119.73 3fm7 n ALA 22 Ca 0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 53.44 53.26 3fm7 n ALA 22 Cb 0.34 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.76 3fm7 n ALA 22 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3fm7 n ILE 23 N 0.06 0.06 1.66 0.00 0.13 -1.23 -4.54 119.36 115.49 3fm7 n ILE 23 Ca 0.03 -0.05 0.00 0.00 -1.10 0.00 0.00 62.75 61.63 3fm7 n ILE 23 Cb 0.35 -0.36 0.00 0.00 -0.84 0.00 0.00 39.64 38.79 3fm7 n ILE 23 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 3fm7 n GLU 24 N -1.84 1.00 0.00 9.51 1.02 -1.15 -3.77 120.64 125.41 3fm7 n GLU 24 Ca -0.01 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 3fm7 n GLU 24 Cb 0.33 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 3fm7 n GLU 24 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3fm7 n THR 25 N -0.33 0.00 0.00 2.62 -1.04 -1.23 -5.07 114.28 109.24 3fm7 n THR 25 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3fm7 n THR 25 Cb 0.09 -0.51 0.00 0.00 -1.82 0.00 0.00 70.33 68.09 3fm7 n THR 25 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3fm7 n THR 26 N -0.23 0.00 0.44 12.58 -2.24 -1.26 -4.75 114.28 118.82 3fm7 n THR 26 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3fm7 n THR 26 Cb 0.00 -1.50 0.00 0.00 -2.10 0.00 0.00 70.33 66.73 3fm7 n THR 26 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3fm7 n ILE 27 N -0.12 0.30 -0.05 2.28 -6.64 -1.26 -4.23 119.36 109.64 3fm7 n ILE 27 Ca 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.98 3fm7 n ILE 27 Cb 0.00 -0.56 0.00 0.00 -1.44 0.00 0.00 39.64 37.64 3fm7 n ILE 27 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3fm7 n GLY 28 N 0.63 0.72 0.00 3.28 0.00 -1.25 -0.52 105.19 108.04 3fm7 n GLY 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3fm7 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fm7 n GLY 29 N 1.92 0.85 0.00 -0.02 0.00 -1.26 -4.73 105.19 101.94 3fm7 n GLY 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3fm7 n GLY 29 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fm7 n ASN 30 N 0.00 0.00 -3.65 1.61 4.13 0.32 -5.16 115.26 112.50 3fm7 n ASN 30 Ca 0.00 0.00 -0.16 0.00 1.68 0.00 0.00 54.58 56.10 3fm7 n ASN 30 Cb 0.42 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.58 3fm7 n ASN 30 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3fm7 s ALA 31 N -3.14 1.40 -0.08 5.41 0.00 -1.26 -4.99 121.76 119.10 3fm7 s ALA 31 Ca 0.00 -1.83 -0.03 0.00 0.00 0.00 0.00 51.96 50.10 3fm7 s ALA 31 Cb 0.00 1.39 -0.04 0.00 0.00 0.00 0.00 23.12 24.48 3fm7 s ALA 31 CO 0.00 -0.66 0.05 -0.47 0.00 0.00 0.00 175.76 174.67 3fm7 s TYR 32 N -3.66 3.29 0.03 0.00 5.04 -1.26 -5.09 117.35 115.69 3fm7 s TYR 32 Ca 0.38 0.28 -0.27 0.00 -2.44 0.00 0.00 57.07 55.02 3fm7 s TYR 32 Cb 0.03 -1.82 0.09 0.00 0.35 0.00 0.00 41.96 40.62 3fm7 s TYR 32 CO 0.21 0.55 0.81 -1.14 -1.34 0.00 0.00 175.55 174.64 3fm7 s GLN 33 N -1.02 0.94 0.11 4.97 0.74 -1.26 -5.10 119.66 119.03 3fm7 s GLN 33 Ca 0.15 -0.33 -0.13 0.00 0.05 0.00 0.00 55.36 55.10 3fm7 s GLN 33 Cb -0.12 0.43 -0.12 0.00 1.10 0.00 0.00 33.01 34.31 3fm7 s GLN 33 CO 0.04 -0.41 1.35 1.25 -0.55 0.00 0.00 175.29 176.98 3fm7 h HIS 34 N 2.03 1.03 0.00 1.67 -0.00 -2.01 -3.20 115.15 114.66 3fm7 h HIS 34 Ca -0.25 -0.40 0.00 0.00 -0.00 0.00 0.00 60.37 59.72 3fm7 h HIS 34 Cb 1.26 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 28.49 3fm7 h HIS 34 CO 0.25 1.21 0.00 -0.40 -0.00 0.00 0.00 177.93 179.00 3fm7 n ASP 35 N -4.04 0.00 -0.12 3.26 5.68 -1.26 -3.03 116.55 117.04 3fm7 n ASP 35 Ca -0.06 -0.19 0.02 0.00 -0.50 0.00 0.00 54.79 54.06 3fm7 n ASP 35 Cb 0.64 -0.27 0.03 0.00 -1.14 0.00 0.00 41.12 40.38 3fm7 n ASP 35 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 3fm7 n LYS 36 N -1.27 1.10 0.04 0.11 2.85 -1.21 -4.86 118.16 114.93 3fm7 n LYS 36 Ca 0.15 -1.27 -0.21 0.00 -1.05 0.00 0.00 58.31 55.92 3fm7 n LYS 36 Cb 0.23 -0.83 -0.14 0.00 -0.65 0.00 0.00 35.03 33.64 3fm7 n LYS 36 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3fm7 h VAL 37 N 2.40 1.31 0.00 0.58 2.07 -1.60 -3.31 116.25 117.70 3fm7 h VAL 37 Ca 0.00 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 65.03 3fm7 h VAL 37 Cb 0.94 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.71 3fm7 h VAL 37 CO 0.00 0.71 0.00 0.59 0.02 0.00 0.00 177.57 178.89 3fm7 n ASN 38 N -4.03 0.00 -0.05 0.57 3.02 -1.26 -1.16 115.26 112.35 3fm7 n ASN 38 Ca -0.18 -0.32 -0.13 0.00 -0.03 0.00 0.00 54.58 53.92 3fm7 n ASN 38 Cb 0.86 -0.16 -0.07 0.00 -0.61 0.00 0.00 39.78 39.80 3fm7 n ASN 38 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 3fm7 h ASN 39 N 0.00 0.37 0.62 6.41 2.35 -1.94 -3.36 115.58 120.04 3fm7 h ASN 39 Ca 0.00 -0.48 -0.03 0.00 -0.55 0.00 0.00 56.30 55.24 3fm7 h ASN 39 Cb 0.11 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.38 3fm7 h ASN 39 CO 0.00 0.78 -0.30 -0.50 -1.65 0.00 0.00 177.43 175.76 3fm7 h TRP 40 N -0.02 -0.77 -0.73 1.19 6.55 -1.31 -3.18 115.95 117.67 3fm7 h TRP 40 Ca 0.02 -0.02 0.08 0.00 0.95 0.00 0.00 58.89 59.93 3fm7 h TRP 40 Cb 0.67 0.25 -0.11 0.00 -0.86 0.00 0.00 29.16 29.12 3fm7 h TRP 40 CO 0.08 -0.48 -0.53 1.79 -1.05 0.00 0.00 178.44 178.25 3fm7 h THR 41 N -1.10 0.02 -0.86 1.49 1.35 -1.72 0.37 112.91 112.45 3fm7 h THR 41 Ca -0.08 0.00 0.10 0.00 -0.55 0.00 0.00 66.41 65.88 3fm7 h THR 41 Cb 0.64 0.02 -0.06 0.00 -1.73 0.00 0.00 68.15 67.01 3fm7 h THR 41 CO 0.14 0.00 0.56 1.23 -0.25 0.00 0.00 175.52 177.20 3fm7 h GLY 42 N -0.17 1.21 1.50 5.82 0.00 -1.70 -2.51 103.07 107.22 3fm7 h GLY 42 Ca 0.15 -0.34 -0.21 0.00 0.00 0.00 0.00 47.33 46.93 3fm7 h GLY 42 CO -0.79 0.18 -0.82 1.46 0.00 0.00 0.00 176.54 176.57 3fm7 h GLN 43 N 0.82 0.48 -0.94 4.80 7.50 -0.32 -2.14 115.11 125.31 3fm7 h GLN 43 Ca 0.40 -0.43 0.05 0.00 0.50 0.00 0.00 58.65 59.16 3fm7 h GLN 43 Cb 0.45 0.10 -0.06 0.00 0.05 0.00 0.00 27.48 28.03 3fm7 h GLN 43 CO -0.17 1.07 0.61 0.28 -1.50 0.00 0.00 178.83 179.12 3fm7 h VAL 44 N 0.31 1.13 -0.26 -0.54 2.07 -0.69 -1.83 116.25 116.43 3fm7 h VAL 44 Ca -0.05 -0.40 -0.12 0.00 0.82 0.00 0.00 66.70 66.95 3fm7 h VAL 44 Cb 1.43 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3fm7 h VAL 44 CO 0.15 0.21 -0.35 0.58 0.02 0.00 0.00 177.57 178.18 3fm7 h VAL 45 N 1.16 1.29 0.14 2.57 2.07 -1.34 -3.23 116.25 118.90 3fm7 h VAL 45 Ca 0.39 -1.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 3fm7 h VAL 45 Cb 0.06 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3fm7 h VAL 45 CO -0.14 0.47 -0.07 -0.08 0.02 0.00 0.00 177.57 177.77 3fm7 h GLU 46 N 0.48 -0.18 -0.09 1.57 4.22 -0.68 -3.11 114.58 116.79 3fm7 h GLU 46 Ca 0.05 0.01 -0.14 0.00 0.08 0.00 0.00 59.36 59.36 3fm7 h GLU 46 Cb 0.83 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 3fm7 h GLU 46 CO 0.07 0.17 -0.57 -2.95 -2.18 0.00 0.00 179.01 173.56 3fm7 h ASN 47 N -0.56 0.32 0.87 1.04 -1.07 -1.49 -1.85 115.58 112.85 3fm7 h ASN 47 Ca -0.02 -0.17 0.00 0.00 0.07 0.00 0.00 56.30 56.18 3fm7 h ASN 47 Cb 0.43 -0.09 0.00 0.00 -2.07 0.00 0.00 38.32 36.59 3fm7 h ASN 47 CO 0.03 0.82 0.00 0.00 0.07 0.00 0.00 177.43 178.35 3fm7 h LEU 49 N 0.00 0.77 -1.56 0.00 6.46 -1.26 -3.36 115.31 116.37 3fm7 h LEU 49 Ca 0.00 -0.92 -0.05 0.00 -0.12 0.00 0.00 57.88 56.79 3fm7 h LEU 49 Cb 0.43 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.11 3fm7 h LEU 49 CO 0.00 1.74 -0.23 0.71 -0.62 0.00 0.00 178.44 180.04 3fm7 h THR 50 N 0.13 0.90 -0.43 1.05 1.35 -1.43 -2.78 112.91 111.70 3fm7 h THR 50 Ca -0.29 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 3fm7 h THR 50 Cb 2.15 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 70.08 3fm7 h THR 50 CO 0.24 0.23 0.00 1.33 -0.25 0.00 0.00 175.52 177.07 3fm7 n VAL 51 N -3.88 1.71 0.00 6.82 0.24 -1.24 -1.06 118.33 120.92 3fm7 n VAL 51 Ca -0.02 -0.93 0.00 0.00 -2.04 0.00 0.00 64.34 61.35 3fm7 n VAL 51 Cb 0.32 -0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.48 3fm7 n VAL 51 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3fm7 n LEU 52 N 0.56 0.00 -0.01 1.34 4.77 -1.07 -4.64 117.00 117.95 3fm7 n LEU 52 Ca 0.19 -0.11 -0.05 0.00 -0.03 0.00 0.00 56.01 56.02 3fm7 n LEU 52 Cb 0.83 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.80 3fm7 n LEU 52 CO 0.21 0.00 -0.50 0.35 -1.33 0.00 0.00 177.39 176.12 3fm7 n THR 53 N -0.43 1.37 -0.30 -5.08 -2.24 -1.09 -3.55 114.28 102.96 3fm7 n THR 53 Ca 0.00 -0.75 0.08 0.00 -2.27 0.00 0.00 64.05 61.11 3fm7 n THR 53 Cb 0.00 -0.83 0.30 0.00 -2.10 0.00 0.00 70.33 67.71 3fm7 n THR 53 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3fm7 h LYS 54 N 0.00 0.84 0.00 -0.78 3.64 -1.36 -1.22 116.57 117.69 3fm7 h LYS 54 Ca -0.25 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 3fm7 h LYS 54 Cb 1.83 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.46 3fm7 h LYS 54 CO 0.06 0.56 0.00 0.39 -2.27 0.00 0.00 179.45 178.18 3fm7 n GLU 55 N -4.56 0.12 -0.88 1.90 1.02 -1.23 -4.93 120.64 112.08 3fm7 n GLU 55 Ca 0.17 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 3fm7 n GLU 55 Cb 0.36 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 3fm7 n GLU 55 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 3fm7 n GLN 56 N -1.40 0.00 -3.42 3.49 7.27 -0.46 -4.96 117.38 117.90 3fm7 n GLN 56 Ca 0.06 0.00 -0.21 0.00 0.07 0.00 0.00 57.00 56.92 3fm7 n GLN 56 Cb 0.17 0.00 -0.00 0.00 2.41 0.00 0.00 30.24 32.81 3fm7 n GLN 56 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 3fm7 s LYS 57 N 0.00 2.48 0.00 3.69 -2.85 -1.26 -5.00 119.74 116.80 3fm7 s LYS 57 Ca 0.00 -1.60 0.00 0.00 -1.00 0.00 0.00 55.97 53.37 3fm7 s LYS 57 Cb 0.00 -2.44 0.00 0.00 -2.06 0.00 0.00 37.83 33.33 3fm7 s LYS 57 CO 0.00 -0.42 0.53 -0.35 0.10 0.00 0.00 175.35 175.20 3fm7 n PRO 58 N -1.78 0.76 -3.87 1.78 -0.04 -1.26 -4.80 135.00 125.78 3fm7 n PRO 58 Ca 0.06 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.21 3fm7 n PRO 58 Cb 0.62 -1.28 -0.04 0.00 -0.04 0.00 0.00 33.50 32.76 3fm7 n PRO 58 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3fm7 s TYR 59 N -0.51 3.51 0.32 0.54 1.51 -1.26 -2.50 117.35 118.96 3fm7 s TYR 59 Ca 0.00 0.30 0.05 0.00 -1.01 0.00 0.00 57.07 56.41 3fm7 s TYR 59 Cb 0.00 -1.80 -0.02 0.00 -0.11 0.00 0.00 41.96 40.04 3fm7 s TYR 59 CO 0.00 0.55 0.46 0.15 -1.11 0.00 0.00 175.55 175.60 3fm7 s LYS 60 N -2.63 3.23 -0.04 -0.62 1.02 -1.02 -4.92 119.74 114.76 3fm7 s LYS 60 Ca 0.36 -0.85 -0.02 0.00 0.02 0.00 0.00 55.97 55.49 3fm7 s LYS 60 Cb -0.13 -2.81 0.03 0.00 -0.52 0.00 0.00 37.83 34.41 3fm7 s LYS 60 CO 0.27 0.14 0.05 0.71 -0.92 0.00 0.00 175.35 175.60 3fm7 s TYR 61 N -2.17 0.15 -0.03 3.18 2.02 -1.25 -1.77 117.35 117.49 3fm7 s TYR 61 Ca 0.42 0.18 0.01 0.00 -0.37 0.00 0.00 57.07 57.31 3fm7 s TYR 61 Cb -0.09 -0.50 -0.03 0.00 -0.40 0.00 0.00 41.96 40.93 3fm7 s TYR 61 CO 0.31 -0.20 -0.02 0.42 -1.57 0.00 0.00 175.55 174.50 3fm7 s ILE 62 N 2.01 4.07 -0.18 2.71 1.09 -0.00 -4.95 121.20 125.95 3fm7 s ILE 62 Ca 0.03 -0.53 -0.06 0.00 -1.10 0.00 0.00 60.65 58.99 3fm7 s ILE 62 Cb -0.12 -2.77 0.08 0.00 -1.06 0.00 0.00 42.46 38.59 3fm7 s ILE 62 CO -0.03 0.46 0.38 0.54 -0.10 0.00 0.00 174.94 176.18 3fm7 s VAL 63 N -1.00 -0.56 0.14 2.92 0.11 -1.26 0.20 120.40 120.95 3fm7 s VAL 63 Ca 0.17 0.19 0.10 0.00 -2.93 0.00 0.00 61.98 59.51 3fm7 s VAL 63 Cb -0.11 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 3fm7 s VAL 63 CO 0.07 0.08 -0.22 0.42 -3.33 0.00 0.00 175.10 172.12 3fm7 s THR 64 N 2.50 1.99 -0.15 5.04 -4.23 -0.06 -4.97 115.64 115.76 3fm7 s THR 64 Ca -0.01 -1.77 -0.07 0.00 -1.18 0.00 0.00 61.69 58.65 3fm7 s THR 64 Cb -0.12 -1.83 0.06 0.00 1.34 0.00 0.00 72.50 71.95 3fm7 s THR 64 CO -0.12 -0.09 0.34 0.00 -0.54 0.00 0.00 174.62 174.22 3fm7 s ALA 65 N -1.43 -0.85 0.04 3.99 0.00 -1.26 -1.32 121.76 120.92 3fm7 s ALA 65 Ca 0.13 1.31 0.05 0.00 0.00 0.00 0.00 51.96 53.45 3fm7 s ALA 65 Cb -0.09 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 22.16 3fm7 s ALA 65 CO 0.06 -0.28 -0.15 -1.64 0.00 0.00 0.00 175.76 173.75 3fm7 s MET 66 N 1.46 1.00 -0.07 0.00 -1.94 -0.10 -4.98 119.30 114.68 3fm7 s MET 66 Ca -0.09 -0.79 -0.03 0.00 -1.71 0.00 0.00 55.69 53.07 3fm7 s MET 66 Cb -0.09 -1.03 0.04 0.00 2.01 0.00 0.00 34.83 35.75 3fm7 s MET 66 CO -0.11 0.26 0.15 0.42 -0.01 0.00 0.00 175.02 175.72 3fm7 s ILE 67 N -0.85 -0.09 -0.29 2.53 1.01 -1.26 -2.49 121.20 119.76 3fm7 s ILE 67 Ca 0.02 0.21 -0.03 0.00 0.00 0.00 0.00 60.65 60.86 3fm7 s ILE 67 Cb -0.08 -0.25 0.11 0.00 0.01 0.00 0.00 42.46 42.26 3fm7 s ILE 67 CO 0.01 0.09 0.20 0.00 0.00 0.00 0.00 174.94 175.24 3fm7 s MET 68 N 1.38 0.24 0.00 2.79 0.23 -1.19 -5.09 119.30 117.66 3fm7 s MET 68 Ca -0.07 -0.34 0.00 0.00 -1.03 0.00 0.00 55.69 54.25 3fm7 s MET 68 Cb -0.12 -0.96 0.00 0.00 -1.53 0.00 0.00 34.83 32.22 3fm7 s MET 68 CO -0.06 -1.01 0.00 0.94 -2.03 0.00 0.00 175.02 172.86 3fm7 n GLN 69 N 5.28 0.00 -2.35 3.16 7.27 -1.26 -3.68 117.38 125.80 3fm7 n GLN 69 Ca -0.04 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.60 3fm7 n GLN 69 Cb 0.44 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.09 3fm7 n GLN 69 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 3fm7 n LYS 70 N 0.00 3.24 -0.07 3.69 5.02 -0.05 -4.67 118.16 125.32 3fm7 n LYS 70 Ca 0.00 -3.26 -0.11 0.00 -2.02 0.00 0.00 58.31 52.92 3fm7 n LYS 70 Cb 0.00 -3.20 -0.15 0.00 -0.02 0.00 0.00 35.03 31.66 3fm7 n LYS 70 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3fm7 n ASN 71 N 6.06 0.60 0.00 4.39 5.15 -1.26 -4.95 115.26 125.24 3fm7 n ASN 71 Ca 0.45 0.13 0.00 0.00 -0.60 0.00 0.00 54.58 54.56 3fm7 n ASN 71 Cb 0.41 0.41 0.00 0.00 -0.53 0.00 0.00 39.78 40.07 3fm7 n ASN 71 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3fm7 n GLY 72 N 1.75 1.80 3.93 8.20 0.00 -1.26 -5.14 105.19 114.47 3fm7 n GLY 72 Ca -0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 3fm7 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fm7 s ALA 73 N -2.00 3.99 0.29 4.61 0.00 -1.26 -5.10 121.76 122.29 3fm7 s ALA 73 Ca 0.00 -0.93 -0.17 0.00 0.00 0.00 0.00 51.96 50.86 3fm7 s ALA 73 Cb 0.00 -1.81 -0.09 0.00 0.00 0.00 0.00 23.12 21.22 3fm7 s ALA 73 CO 0.00 0.69 0.75 0.20 0.00 0.00 0.00 175.76 177.40 3fm7 s GLY 74 N -2.85 2.45 -0.03 0.00 0.00 -1.26 -5.07 107.32 100.56 3fm7 s GLY 74 Ca 0.35 0.12 -0.01 0.00 0.00 0.00 0.00 44.72 45.17 3fm7 s GLY 74 CO 0.28 0.39 0.07 -2.27 0.00 0.00 0.00 173.10 171.57 3fm7 s LEU 75 N -2.59 1.07 -0.14 0.66 1.98 -1.26 -5.15 118.68 113.26 3fm7 s LEU 75 Ca 0.50 0.13 -0.10 0.00 -2.89 0.00 0.00 54.13 51.77 3fm7 s LEU 75 Cb -0.13 0.10 0.04 0.00 0.66 0.00 0.00 46.19 46.86 3fm7 s LEU 75 CO 0.19 -0.12 0.36 -1.00 -1.89 0.00 0.00 176.35 173.88 3fm7 s HIS 76 N 0.95 -0.45 0.31 5.38 3.76 -1.26 -5.17 115.29 118.81 3fm7 s HIS 76 Ca -0.08 1.04 0.03 0.00 -0.15 0.00 0.00 55.06 55.90 3fm7 s HIS 76 Cb -0.11 0.16 -0.06 0.00 1.11 0.00 0.00 32.58 33.69 3fm7 s HIS 76 CO -0.03 -0.25 0.08 0.95 -0.85 0.00 0.00 174.74 174.63 3fm7 s THR 77 N 0.79 0.92 -0.16 1.30 -4.23 -1.26 -5.16 115.64 107.85 3fm7 s THR 77 Ca -0.05 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.34 3fm7 s THR 77 Cb -0.06 -2.71 0.05 0.00 1.34 0.00 0.00 72.50 71.11 3fm7 s THR 77 CO -0.06 0.00 0.40 0.00 -0.54 0.00 0.00 174.62 174.42 3fm7 s ALA 78 N -3.46 -1.00 -0.32 3.99 0.00 -1.26 -5.09 121.76 114.63 3fm7 s ALA 78 Ca 0.36 1.26 0.15 0.00 0.00 0.00 0.00 51.96 53.73 3fm7 s ALA 78 Cb 0.08 -0.75 0.47 0.00 0.00 0.00 0.00 23.12 22.92 3fm7 s ALA 78 CO 0.15 -0.21 1.08 0.45 0.00 0.00 0.00 175.76 177.22 3fm7 n SER 79 N 3.37 2.76 -4.64 0.00 2.88 -1.26 -5.04 113.62 111.69 3fm7 n SER 79 Ca -0.17 -2.88 -0.43 0.00 -1.33 0.00 0.00 58.87 54.06 3fm7 n SER 79 Cb 0.56 -0.47 -0.03 0.00 -0.75 0.00 0.00 64.21 63.53 3fm7 n SER 79 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3fm7 s SER 80 N -3.50 6.92 0.15 -3.46 0.01 -1.26 -5.02 113.70 107.54 3fm7 s SER 80 Ca 0.36 1.07 -0.05 0.00 1.31 0.00 0.00 55.95 58.63 3fm7 s SER 80 Cb 0.40 -2.51 -0.02 0.00 0.21 0.00 0.00 66.02 64.10 3fm7 s SER 80 CO -0.03 -0.74 0.18 0.00 0.41 0.00 0.00 173.24 173.07 3fm7 s TYR 82 N -4.00 -0.78 0.14 0.00 5.04 -1.26 -5.12 117.35 111.38 3fm7 s TYR 82 Ca 0.20 0.24 -0.05 0.00 -2.44 0.00 0.00 57.07 55.02 3fm7 s TYR 82 Cb 0.05 -0.24 0.02 0.00 0.35 0.00 0.00 41.96 42.14 3fm7 s TYR 82 CO 0.01 -0.91 0.27 -2.67 -1.34 0.00 0.00 175.55 170.91 3fm7 n TRP 83 N 5.34 -1.37 -2.40 4.97 2.14 -1.26 -5.11 117.44 119.75 3fm7 n TRP 83 Ca -0.01 -0.73 -0.42 0.00 2.07 0.00 0.00 57.50 58.42 3fm7 n TRP 83 Cb 0.48 0.32 -0.03 0.00 -0.81 0.00 0.00 31.31 31.28 3fm7 n TRP 83 CO 0.00 0.00 0.00 -0.80 2.07 0.00 0.00 177.69 178.96 3fm7 s ASN 84 N -1.78 6.13 0.00 -0.67 0.01 -1.26 -4.89 114.94 112.49 3fm7 s ASN 84 Ca 0.07 0.25 -0.00 0.00 -0.71 0.00 0.00 52.86 52.46 3fm7 s ASN 84 Cb -0.02 -2.55 -0.00 0.00 0.41 0.00 0.00 41.25 39.09 3fm7 s ASN 84 CO 0.05 -1.72 1.80 0.59 -1.51 0.00 0.00 177.10 176.31 3fm7 n ASN 85 N 9.57 4.72 0.00 -1.22 3.02 -1.26 -1.31 115.26 128.78 3fm7 n ASN 85 Ca 0.12 -2.25 0.00 0.00 -0.03 0.00 0.00 54.58 52.42 3fm7 n ASN 85 Cb 0.49 -1.00 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 3fm7 n ASN 85 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3fm7 n ASP 86 N 1.58 0.00 -0.12 6.41 3.85 -1.26 -4.95 116.55 122.06 3fm7 n ASP 86 Ca 0.01 0.00 -0.18 0.00 -0.71 0.00 0.00 54.79 53.91 3fm7 n ASP 86 Cb 0.45 0.00 -0.11 0.00 -1.35 0.00 0.00 41.12 40.11 3fm7 n ASP 86 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3fm7 n THR 87 N -1.20 1.38 -2.29 2.12 -2.24 -1.05 -4.91 114.28 106.09 3fm7 n THR 87 Ca 0.00 -0.51 -0.33 0.00 -2.27 0.00 0.00 64.05 60.94 3fm7 n THR 87 Cb 0.00 -1.39 -0.02 0.00 -2.10 0.00 0.00 70.33 66.82 3fm7 n THR 87 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3fm7 s ASP 88 N -6.41 6.20 -0.22 3.42 1.01 -0.43 -4.45 116.67 115.80 3fm7 s ASP 88 Ca -0.33 1.76 -0.27 0.00 0.71 0.00 0.00 52.55 54.43 3fm7 s ASP 88 Cb 0.09 -2.53 0.10 0.00 1.01 0.00 0.00 42.92 41.58 3fm7 s ASP 88 CO 0.55 -0.88 0.86 -0.83 0.21 0.00 0.00 175.17 175.08 3fm7 s GLY 89 N -2.66 -0.37 0.13 0.21 0.00 -0.73 -4.76 107.32 99.14 3fm7 s GLY 89 Ca 0.63 2.14 0.11 0.00 0.00 0.00 0.00 44.72 47.60 3fm7 s GLY 89 CO 0.30 1.55 -0.26 -0.45 0.00 0.00 0.00 173.10 174.25 3fm7 s SER 90 N -0.13 3.24 -0.04 1.64 0.15 -1.26 -1.68 113.70 115.62 3fm7 s SER 90 Ca -0.01 -0.76 -0.02 0.00 0.70 0.00 0.00 55.95 55.87 3fm7 s SER 90 Cb -0.04 -0.21 0.03 0.00 -1.71 0.00 0.00 66.02 64.09 3fm7 s SER 90 CO 0.00 0.16 0.05 0.00 1.20 0.00 0.00 173.24 174.65 3fm7 s THR 92 N 2.05 1.59 0.07 0.00 2.01 -1.26 -0.61 115.64 119.49 3fm7 s THR 92 Ca 0.04 -0.84 0.02 0.00 0.31 0.00 0.00 61.69 61.22 3fm7 s THR 92 Cb -0.12 -1.34 -0.03 0.00 0.01 0.00 0.00 72.50 71.02 3fm7 s THR 92 CO -0.03 0.45 -0.08 0.68 -0.69 0.00 0.00 174.62 174.95 3fm7 s VAL 93 N -0.28 0.68 -0.04 3.82 -7.23 -0.13 -5.00 120.40 112.22 3fm7 s VAL 93 Ca 0.03 -1.53 0.06 0.00 -1.81 0.00 0.00 61.98 58.73 3fm7 s VAL 93 Cb -0.10 -1.18 -0.01 0.00 0.56 0.00 0.00 36.38 35.66 3fm7 s VAL 93 CO 0.01 -0.61 -0.21 -0.13 -0.31 0.00 0.00 175.10 173.85 3fm7 s ARG 94 N -2.70 1.93 -0.10 4.82 0.52 -1.26 -2.14 118.95 120.02 3fm7 s ARG 94 Ca 0.02 -0.73 -0.06 0.00 -0.52 0.00 0.00 55.73 54.43 3fm7 s ARG 94 Cb -0.03 -1.73 0.04 0.00 0.52 0.00 0.00 34.95 33.75 3fm7 s ARG 94 CO -0.02 0.36 0.24 -0.46 0.02 0.00 0.00 175.30 175.44 3fm7 s TRP 95 N -0.22 -0.29 0.07 -0.53 -0.00 -0.49 -5.03 118.94 112.45 3fm7 s TRP 95 Ca 0.01 0.70 0.03 0.00 -0.00 0.00 0.00 56.10 56.84 3fm7 s TRP 95 Cb -0.11 0.06 -0.03 0.00 -0.00 0.00 0.00 33.47 33.39 3fm7 s TRP 95 CO 0.01 -0.18 -0.08 -1.83 -0.00 0.00 0.00 176.95 174.87 3fm7 s GLU 96 N 0.77 0.71 0.00 5.86 1.03 -1.26 -0.69 118.70 125.11 3fm7 s GLU 96 Ca -0.05 -1.04 0.00 0.00 0.03 0.00 0.00 54.97 53.91 3fm7 s GLU 96 Cb -0.07 -0.35 0.00 0.00 -0.80 0.00 0.00 34.13 32.92 3fm7 s GLU 96 CO -0.05 0.04 0.00 0.27 -1.33 0.00 0.00 175.26 174.20 3fm7 n ASN 97 N 0.78 0.00 -0.19 0.83 6.94 -0.84 -5.01 115.26 117.77 3fm7 n ASN 97 Ca -0.18 0.00 0.11 0.00 -0.02 0.00 0.00 54.58 54.49 3fm7 n ASN 97 Cb 0.57 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.97 3fm7 n ASN 97 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3fm7 n LYS 98 N 0.00 0.46 -0.12 -3.83 4.01 -1.26 -4.42 118.16 113.01 3fm7 n LYS 98 Ca 0.00 -0.37 -0.17 0.00 -0.51 0.00 0.00 58.31 57.26 3fm7 n LYS 98 Cb 0.00 -1.49 -0.13 0.00 -0.51 0.00 0.00 35.03 32.90 3fm7 n LYS 98 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 3fm7 n THR 99 N -0.94 1.50 -3.72 -0.18 -1.04 -1.26 -4.94 114.28 103.70 3fm7 n THR 99 Ca 0.06 -0.61 -0.11 0.00 -2.04 0.00 0.00 64.05 61.35 3fm7 n THR 99 Cb 0.38 -1.32 -0.11 0.00 -1.82 0.00 0.00 70.33 67.45 3fm7 n THR 99 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 3fm7 s MET 100 N -2.52 0.35 0.09 -2.82 1.75 -1.26 -0.87 119.30 114.02 3fm7 s MET 100 Ca -0.31 0.66 -0.30 0.00 -1.25 0.00 0.00 55.69 54.49 3fm7 s MET 100 Cb 0.08 -0.00 -0.05 0.00 2.84 0.00 0.00 34.83 37.70 3fm7 s MET 100 CO 0.64 -0.14 1.04 0.71 -0.65 0.00 0.00 175.02 176.63 3fm7 s TYR 101 N 1.10 3.65 0.02 4.11 2.02 -1.24 -1.99 117.35 125.03 3fm7 s TYR 101 Ca -0.07 1.63 0.05 0.00 -0.37 0.00 0.00 57.07 58.31 3fm7 s TYR 101 Cb -0.08 -3.19 -0.02 0.00 -0.40 0.00 0.00 41.96 38.27 3fm7 s TYR 101 CO -0.09 -0.32 -0.15 0.00 -1.57 0.00 0.00 175.55 173.42 3fm7 s ILE 103 N -0.67 -0.59 0.01 0.00 -4.36 -1.04 -1.40 121.20 113.15 3fm7 s ILE 103 Ca 0.04 0.16 0.02 0.00 -0.26 0.00 0.00 60.65 60.60 3fm7 s ILE 103 Cb -0.07 -0.67 -0.01 0.00 1.25 0.00 0.00 42.46 42.96 3fm7 s ILE 103 CO 0.01 0.06 -0.07 -0.69 0.24 0.00 0.00 174.94 174.49 3fm7 s VAL 104 N 2.48 0.51 0.03 8.37 1.01 -0.91 -0.92 120.40 130.98 3fm7 s VAL 104 Ca -0.03 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 61.43 3fm7 s VAL 104 Cb -0.12 -0.47 -0.01 0.00 0.00 0.00 0.00 36.38 35.78 3fm7 s VAL 104 CO -0.13 0.01 0.08 -0.94 0.00 0.00 0.00 175.10 174.11 3fm7 s SER 105 N -0.52 0.18 0.01 3.32 1.04 -0.44 -0.96 113.70 116.35 3fm7 s SER 105 Ca -0.01 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.91 3fm7 s SER 105 Cb -0.04 0.21 -0.01 0.00 0.10 0.00 0.00 66.02 66.27 3fm7 s SER 105 CO -0.00 -0.47 -0.02 -0.69 0.98 0.00 0.00 173.24 173.04 3fm7 s VAL 106 N -2.39 0.09 -0.14 5.02 1.01 0.22 -0.88 120.40 123.32 3fm7 s VAL 106 Ca -0.07 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.30 3fm7 s VAL 106 Cb -0.03 -0.19 0.02 0.00 0.00 0.00 0.00 36.38 36.19 3fm7 s VAL 106 CO -0.04 -0.34 -0.14 -0.36 0.00 0.00 0.00 175.10 174.23 3fm7 s PHE 107 N -0.99 2.10 -0.09 5.22 0.08 0.52 -1.73 117.98 123.10 3fm7 s PHE 107 Ca -0.11 -1.14 -0.04 0.00 0.12 0.00 0.00 56.93 55.76 3fm7 s PHE 107 Cb -0.07 -1.55 -0.04 0.00 -0.57 0.00 0.00 43.02 40.80 3fm7 s PHE 107 CO -0.01 -0.63 0.09 0.20 -0.10 0.00 0.00 175.22 174.78 3fm7 s GLY 108 N 1.41 2.05 0.29 4.36 0.00 -0.67 -0.82 107.32 113.93 3fm7 s GLY 108 Ca 0.03 -0.73 0.06 0.00 0.00 0.00 0.00 44.72 44.08 3fm7 s GLY 108 CO -0.09 -0.50 0.21 1.04 0.00 0.00 0.00 173.10 173.76 3fm7 n LEU 109 N 1.86 0.00 0.00 0.66 4.32 -0.73 -1.77 117.00 121.34 3fm7 n LEU 109 Ca -0.18 -2.65 -0.27 0.00 -0.02 0.00 0.00 56.01 52.89 3fm7 n LEU 109 Cb 0.54 1.28 0.18 0.00 -1.62 0.00 0.00 43.42 43.80 3fm7 n LEU 109 CO 0.32 -0.43 0.77 0.00 -1.22 0.00 0.00 177.39 176.83 3fm7 n ALA 110 N -1.15 -1.03 0.00 -1.18 0.00 -1.26 -2.43 120.51 113.46 3fm7 n ALA 110 Ca -0.11 -1.75 0.00 0.00 0.00 0.00 0.00 53.44 51.58 3fm7 n ALA 110 Cb 0.51 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3fm7 n ALA 110 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78