#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mfn n GLN 10 N 0.00 4.02 0.00 0.00 3.00 -1.26 -3.19 117.38 119.95 3mfn n GLN 10 Ca 0.00 -2.79 0.01 0.00 -0.01 0.00 0.00 57.00 54.21 3mfn n GLN 10 Cb 0.00 -2.01 0.06 0.00 0.00 0.00 0.00 30.24 28.29 3mfn n GLN 10 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 3mfn n GLU 11 N 0.85 0.74 -0.29 -1.09 0.28 -1.26 -2.40 120.64 117.48 3mfn n GLU 11 Ca 0.25 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.36 3mfn n GLU 11 Cb 0.97 -1.04 0.27 0.00 1.43 0.00 0.00 31.44 33.07 3mfn n GLU 11 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3mfn h ALA 12 N 2.57 1.31 -0.83 -1.84 0.00 -1.96 -2.03 119.26 116.49 3mfn h ALA 12 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3mfn h ALA 12 Cb 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3mfn h ALA 12 CO 0.00 -0.32 0.48 0.28 0.00 0.00 0.00 179.25 179.70 3mfn h VAL 13 N 0.39 1.23 -0.26 0.00 2.07 -1.80 -1.84 116.25 116.04 3mfn h VAL 13 Ca 0.52 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 3mfn h VAL 13 Cb 0.95 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3mfn h VAL 13 CO -0.51 0.25 0.05 0.40 0.02 0.00 0.00 177.57 177.78 3mfn h ILE 14 N 1.14 1.22 -0.89 4.57 5.03 -1.72 -2.23 117.51 124.63 3mfn h ILE 14 Ca 0.29 -0.74 -0.01 0.00 -0.12 0.00 0.00 64.86 64.28 3mfn h ILE 14 Cb -0.02 1.22 -0.04 0.00 -3.03 0.00 0.00 36.82 34.94 3mfn h ILE 14 CO -0.05 0.24 0.51 -0.08 -0.68 0.00 0.00 178.15 178.09 3mfn h GLU 15 N 0.24 1.23 -0.66 2.37 4.57 -1.25 -0.39 114.58 120.68 3mfn h GLU 15 Ca 0.08 -0.13 0.10 0.00 -1.18 0.00 0.00 59.36 58.23 3mfn h GLU 15 Cb 0.31 -0.25 -0.07 0.00 -0.16 0.00 0.00 28.75 28.58 3mfn h GLU 15 CO 0.00 0.88 0.29 0.00 -1.18 0.00 0.00 179.01 179.00 3mfn h ALA 16 N 1.28 0.89 -0.00 2.92 0.00 -1.18 -0.87 119.26 122.30 3mfn h ALA 16 Ca 0.32 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.18 3mfn h ALA 16 Cb -0.01 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3mfn h ALA 16 CO -0.05 -0.14 -0.56 0.87 0.00 0.00 0.00 179.25 179.37 3mfn h LYS 17 N 0.49 0.00 -0.65 0.00 1.57 -0.79 -1.88 116.57 115.32 3mfn h LYS 17 Ca 0.33 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.13 3mfn h LYS 17 Cb 0.40 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 3mfn h LYS 17 CO -0.30 0.56 0.41 -0.09 -0.57 0.00 0.00 179.45 179.46 3mfn h ARG 18 N 0.00 0.80 -0.20 3.15 2.43 0.25 -0.69 114.38 120.12 3mfn h ARG 18 Ca -0.01 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 3mfn h ARG 18 Cb 0.99 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 3mfn h ARG 18 CO 0.07 0.53 0.06 1.88 -1.51 0.00 0.00 179.97 181.00 3mfn h TYR 19 N 0.83 0.33 -0.34 2.20 0.05 -0.81 0.02 116.97 119.25 3mfn h TYR 19 Ca 0.25 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 59.00 3mfn h TYR 19 Cb -0.03 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.60 3mfn h TYR 19 CO -0.04 0.42 0.22 1.25 -1.05 0.00 0.00 178.16 178.96 3mfn h LEU 20 N 0.14 0.39 -0.73 3.88 5.85 -1.16 -0.45 115.31 123.24 3mfn h LEU 20 Ca 0.06 -0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.62 3mfn h LEU 20 Cb 0.25 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3mfn h LEU 20 CO -0.00 0.30 -0.50 0.78 -0.34 0.00 0.00 178.44 178.68 3mfn h ASN 21 N 0.45 0.37 -0.58 1.25 2.35 -1.09 -1.43 115.58 116.90 3mfn h ASN 21 Ca 0.12 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 3mfn h ASN 21 Cb -0.03 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 3mfn h ASN 21 CO -0.03 0.81 0.33 -1.13 -1.65 0.00 0.00 177.43 175.77 3mfn h ASN 22 N 0.27 0.71 -0.70 5.81 -1.24 -0.79 0.10 115.58 119.74 3mfn h ASN 22 Ca 0.01 -0.08 0.07 0.00 0.71 0.00 0.00 56.30 57.01 3mfn h ASN 22 Cb 0.98 -0.18 -0.06 0.00 0.73 0.00 0.00 38.32 39.79 3mfn h ASN 22 CO 0.08 0.58 0.39 0.00 -1.29 0.00 0.00 177.43 177.19 3mfn h ALA 23 N 1.16 0.95 -0.52 1.57 0.00 -0.65 -0.39 119.26 121.38 3mfn h ALA 23 Ca 0.21 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 3mfn h ALA 23 Cb 0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3mfn h ALA 23 CO -0.04 0.06 0.01 0.87 0.00 0.00 0.00 179.25 180.15 3mfn h LYS 24 N 0.70 0.88 -0.60 0.00 1.57 -0.85 -2.39 116.57 115.89 3mfn h LYS 24 Ca 0.32 -0.25 -0.09 0.00 -1.87 0.00 0.00 60.65 58.76 3mfn h LYS 24 Cb 0.23 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3mfn h LYS 24 CO -0.20 0.87 0.01 -0.44 -0.57 0.00 0.00 179.45 179.12 3mfn h ASP 25 N 0.82 1.02 -0.51 0.86 3.32 -0.25 -0.88 116.42 120.80 3mfn h ASP 25 Ca 0.16 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 3mfn h ASP 25 Cb 0.47 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 3mfn h ASP 25 CO 0.02 1.07 0.30 0.40 -1.72 0.00 0.00 179.24 179.31 3mfn h ILE 26 N 0.96 1.16 -0.54 0.35 2.04 -0.92 0.17 117.51 120.72 3mfn h ILE 26 Ca 0.17 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 3mfn h ILE 26 Cb 0.54 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3mfn h ILE 26 CO 0.03 0.17 0.26 -0.07 0.00 0.00 0.00 178.15 178.54 3mfn h LEU 27 N 0.68 0.71 -0.34 1.44 3.38 -1.05 0.16 115.31 120.29 3mfn h LEU 27 Ca 0.18 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3mfn h LEU 27 Cb 0.01 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3mfn h LEU 27 CO -0.03 0.64 0.16 -0.09 0.09 0.00 0.00 178.44 179.21 3mfn h ARG 28 N 0.73 0.49 0.02 1.13 2.43 -0.83 -1.06 114.38 117.29 3mfn h ARG 28 Ca 0.19 -0.07 -0.25 0.00 -0.81 0.00 0.00 59.98 59.03 3mfn h ARG 28 Cb 0.11 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 3mfn h ARG 28 CO -0.02 0.45 -1.31 -0.44 -1.51 0.00 0.00 179.97 177.13 3mfn h ASP 29 N 0.41 0.06 0.00 -3.80 3.32 -0.53 -3.41 116.42 112.47 3mfn h ASP 29 Ca 0.12 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3mfn h ASP 29 Cb 0.12 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3mfn h ASP 29 CO -0.01 1.07 0.00 0.29 -1.72 0.00 0.00 179.24 178.87 3mfn n LYS 30 N -3.27 0.15 0.23 3.56 4.76 0.54 -4.81 118.16 119.31 3mfn n LYS 30 Ca -0.08 -0.08 0.11 0.00 -2.87 0.00 0.00 58.31 55.39 3mfn n LYS 30 Cb 0.99 -0.49 0.50 0.00 -1.84 0.00 0.00 35.03 34.20 3mfn n LYS 30 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 3mfn h GLY 31 N 0.00 0.00 -3.70 0.72 0.00 -0.77 -3.44 103.07 95.89 3mfn h GLY 31 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 3mfn h GLY 31 CO 0.00 0.00 -0.38 0.61 0.00 0.00 0.00 176.54 176.77 3mfn n GLY 32 N 0.03 0.11 3.76 4.60 0.00 -1.26 -1.51 105.19 110.92 3mfn n GLY 32 Ca -0.00 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 3mfn n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mfn s LYS 33 N -5.38 4.19 -0.23 1.61 2.20 -1.26 -2.34 119.74 118.53 3mfn s LYS 33 Ca 0.21 2.45 -0.14 0.00 -0.36 0.00 0.00 55.97 58.13 3mfn s LYS 33 Cb -0.09 -3.04 0.07 0.00 -1.51 0.00 0.00 37.83 33.26 3mfn s LYS 33 CO 0.39 -0.48 0.57 -2.00 -0.36 0.00 0.00 175.35 173.46 3mfn s GLU 34 N -1.05 0.58 -1.01 4.03 2.12 0.36 -4.90 118.70 118.82 3mfn s GLU 34 Ca 0.57 1.01 0.00 0.00 0.36 0.00 0.00 54.97 56.92 3mfn s GLU 34 Cb -0.45 0.09 0.00 0.00 0.26 0.00 0.00 34.13 34.03 3mfn s GLU 34 CO 0.51 -0.15 0.00 -0.25 -0.54 0.00 0.00 175.26 174.83 3mfn n ASP 35 N 4.16 -3.62 0.00 -1.70 8.00 -1.26 -0.17 116.55 121.96 3mfn n ASP 35 Ca -0.21 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.52 3mfn n ASP 35 Cb 0.57 -3.13 0.00 0.00 -0.02 0.00 0.00 41.12 38.54 3mfn n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mfn n GLY 36 N -0.71 0.74 3.16 0.44 0.00 -1.26 -5.04 105.19 102.51 3mfn n GLY 36 Ca -0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 3mfn n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mfn s PHE 37 N -2.74 1.92 -0.06 1.61 0.08 0.75 -1.16 117.98 118.38 3mfn s PHE 37 Ca 0.00 -0.61 -0.30 0.00 0.12 0.00 0.00 56.93 56.15 3mfn s PHE 37 Cb 0.00 -1.29 -0.04 0.00 -0.57 0.00 0.00 43.02 41.11 3mfn s PHE 37 CO 0.00 -0.22 1.41 0.71 -0.10 0.00 0.00 175.22 177.02 3mfn s TYR 38 N 0.11 2.67 -0.20 0.36 2.02 -0.18 -0.49 117.35 121.65 3mfn s TYR 38 Ca -0.07 0.75 0.21 0.00 -0.37 0.00 0.00 57.07 57.60 3mfn s TYR 38 Cb -0.13 -3.66 -0.05 0.00 -0.40 0.00 0.00 41.96 37.71 3mfn s TYR 38 CO 0.03 -2.50 0.96 1.04 -1.57 0.00 0.00 175.55 173.51 3mfn n GLN 39 N 6.08 0.61 -3.29 -0.62 1.13 -0.57 -4.48 117.38 116.24 3mfn n GLN 39 Ca 0.14 0.11 -0.46 0.00 -1.94 0.00 0.00 57.00 54.86 3mfn n GLN 39 Cb 0.44 -1.80 -0.05 0.00 0.11 0.00 0.00 30.24 28.94 3mfn n GLN 39 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3mfn s ASP 40 N -5.37 6.25 0.47 1.08 -1.08 -0.84 -4.92 116.67 112.26 3mfn s ASP 40 Ca -0.02 -1.84 0.15 0.00 -0.52 0.00 0.00 52.55 50.32 3mfn s ASP 40 Cb 0.10 -2.22 1.12 0.00 -1.46 0.00 0.00 42.92 40.46 3mfn s ASP 40 CO 0.80 -0.86 2.04 0.28 0.52 0.00 0.00 175.17 177.95 3mfn h SER 41 N 8.81 0.23 -0.94 -0.34 0.02 -1.85 -1.71 113.55 117.77 3mfn h SER 41 Ca -0.26 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.74 3mfn h SER 41 Cb 1.09 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 63.53 3mfn h SER 41 CO 1.02 0.15 0.61 0.50 -1.14 0.00 0.00 176.83 177.97 3mfn h LYS 42 N 0.27 1.12 0.00 3.45 3.64 -1.91 0.15 116.57 123.29 3mfn h LYS 42 Ca 0.18 -0.07 -0.20 0.00 -1.27 0.00 0.00 60.65 59.30 3mfn h LYS 42 Cb 0.38 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 3mfn h LYS 42 CO -0.04 0.74 -1.18 1.88 -2.27 0.00 0.00 179.45 178.58 3mfn h TYR 43 N 1.16 0.00 -0.51 1.91 0.05 -1.64 -3.19 116.97 114.75 3mfn h TYR 43 Ca 0.38 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.15 3mfn h TYR 43 Cb 0.05 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.76 3mfn h TYR 43 CO -0.01 0.80 0.28 0.28 -1.05 0.00 0.00 178.16 178.46 3mfn h VAL 44 N 0.00 1.17 0.00 -2.88 2.07 -1.02 0.53 116.25 116.12 3mfn h VAL 44 Ca -0.12 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 66.96 3mfn h VAL 44 Cb 1.71 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 3mfn h VAL 44 CO 0.08 0.19 0.00 0.29 0.02 0.00 0.00 177.57 178.15 3mfn n LYS 45 N -4.65 0.00 0.00 1.57 5.02 0.47 -0.79 118.16 119.78 3mfn n LYS 45 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 3mfn n LYS 45 Cb 0.08 -0.98 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 3mfn n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mfn n ALA 47 N 0.19 0.00 -0.12 7.82 0.00 0.18 -1.04 120.51 127.54 3mfn n ALA 47 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3mfn n ALA 47 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 3mfn n ALA 47 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3mfn h GLY 48 N 0.00 0.51 0.98 0.00 0.00 -1.19 -0.76 103.07 102.62 3mfn h GLY 48 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 3mfn h GLY 48 CO 0.00 0.08 0.26 0.84 0.00 0.00 0.00 176.54 177.71 3mfn h HIS 49 N 0.36 0.79 -0.03 5.60 6.17 -1.28 -1.08 115.15 125.68 3mfn h HIS 49 Ca 0.17 -0.04 -0.00 0.00 0.71 0.00 0.00 60.37 61.21 3mfn h HIS 49 Cb 0.10 -0.24 -0.00 0.00 2.52 0.00 0.00 27.41 29.78 3mfn h HIS 49 CO -0.11 0.61 0.01 1.15 0.71 0.00 0.00 177.93 180.30 3mfn h THR 50 N 0.73 1.13 -0.18 6.26 2.02 -1.78 0.34 112.91 121.44 3mfn h THR 50 Ca 0.19 -0.38 0.02 0.00 0.77 0.00 0.00 66.41 67.00 3mfn h THR 50 Cb 0.13 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 3mfn h THR 50 CO -0.02 0.10 0.04 0.00 0.37 0.00 0.00 175.52 176.01 3mfn h ALA 51 N 0.86 0.18 -0.79 6.16 0.00 -1.08 -0.17 119.26 124.42 3mfn h ALA 51 Ca 0.01 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3mfn h ALA 51 Cb 0.16 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3mfn h ALA 51 CO -0.00 -0.39 0.51 -0.92 0.00 0.00 0.00 179.25 178.45 3mfn h TYR 52 N 0.12 0.97 -0.19 0.00 3.20 -1.04 -2.14 116.97 117.89 3mfn h TYR 52 Ca 0.08 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.93 3mfn h TYR 52 Cb 0.07 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.00 3mfn h TYR 52 CO -0.13 0.59 -0.09 0.77 -1.64 0.00 0.00 178.16 177.65 3mfn h SER 53 N 1.03 0.27 0.09 -2.11 0.02 -0.03 -0.98 113.55 111.84 3mfn h SER 53 Ca 0.30 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 3mfn h SER 53 Cb -0.07 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 3mfn h SER 53 CO -0.08 0.40 -0.09 1.23 -1.14 0.00 0.00 176.83 177.15 3mfn h GLY 54 N 0.73 -0.19 0.72 -3.77 0.00 -0.39 0.87 103.07 101.06 3mfn h GLY 54 Ca 0.06 0.10 0.02 0.00 0.00 0.00 0.00 47.33 47.51 3mfn h GLY 54 CO 0.02 -0.10 -0.11 -2.08 0.00 0.00 0.00 176.54 174.28 3mfn h VAL 55 N -0.21 0.73 -0.93 4.60 2.07 -0.99 -2.18 116.25 119.35 3mfn h VAL 55 Ca 0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 3mfn h VAL 55 Cb 0.20 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 30.63 3mfn h VAL 55 CO -0.03 0.00 0.59 -0.07 0.02 0.00 0.00 177.57 178.09 3mfn h LEU 56 N -0.18 0.82 -0.19 2.57 3.38 -1.05 -1.01 115.31 119.64 3mfn h LEU 56 Ca 0.04 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.06 3mfn h LEU 56 Cb 0.23 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3mfn h LEU 56 CO -0.11 0.46 0.06 0.15 0.09 0.00 0.00 178.44 179.08 3mfn h PHE 57 N 0.89 0.10 -0.22 1.13 3.04 -0.23 0.49 116.94 122.13 3mfn h PHE 57 Ca 0.44 0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.42 3mfn h PHE 57 Cb 0.47 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.95 3mfn h PHE 57 CO -0.00 0.04 0.10 0.00 -2.02 0.00 0.00 178.31 176.43 3mfn h ALA 58 N 1.13 0.26 -0.88 2.41 0.00 -1.09 -2.00 119.26 119.08 3mfn h ALA 58 Ca 0.08 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3mfn h ALA 58 Cb 0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3mfn h ALA 58 CO -0.10 -0.32 0.52 -0.07 0.00 0.00 0.00 179.25 179.29 3mfn h LEU 59 N 0.21 1.07 -0.95 0.00 3.38 -0.53 -2.07 115.31 116.42 3mfn h LEU 59 Ca 0.09 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3mfn h LEU 59 Cb 0.04 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3mfn h LEU 59 CO -0.08 0.84 -0.03 0.44 0.09 0.00 0.00 178.44 179.70 3mfn h ASP 60 N 1.22 0.70 0.19 -0.43 3.32 0.13 -0.13 116.42 121.43 3mfn h ASP 60 Ca 0.32 -0.17 -0.16 0.00 0.02 0.00 0.00 57.03 57.04 3mfn h ASP 60 Cb -0.03 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3mfn h ASP 60 CO -0.06 0.79 -0.59 0.45 -1.72 0.00 0.00 179.24 178.11 3mfn h HIS 61 N 0.67 0.51 0.00 4.55 3.86 -1.03 -0.66 115.15 123.07 3mfn h HIS 61 Ca 0.13 -0.19 -0.14 0.00 -1.16 0.00 0.00 60.37 59.01 3mfn h HIS 61 Cb 0.47 -0.09 0.01 0.00 1.06 0.00 0.00 27.41 28.85 3mfn h HIS 61 CO 0.02 0.89 -0.55 -0.92 0.86 0.00 0.00 177.93 178.23 3mfn h TYR 62 N 0.30 0.55 0.00 2.45 3.20 -0.80 -3.35 116.97 119.32 3mfn h TYR 62 Ca -0.00 -0.30 0.00 0.00 3.14 0.00 0.00 58.73 61.56 3mfn h TYR 62 Cb 1.12 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.33 3mfn h TYR 62 CO 0.04 1.12 -0.90 1.19 -1.64 0.00 0.00 178.16 177.97 3mfn n PHE 63 N -4.26 0.57 -0.85 -3.82 3.72 -0.11 -5.04 117.46 107.67 3mfn n PHE 63 Ca -0.10 0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 3mfn n PHE 63 Cb 0.65 -0.67 0.00 0.00 -0.94 0.00 0.00 39.48 38.52 3mfn n PHE 63 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mfn n GLY 64 N 1.30 1.20 3.42 1.37 0.00 -0.25 -4.91 105.19 107.32 3mfn n GLY 64 Ca 0.02 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 3mfn n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mfn s LYS 65 N 0.00 1.67 -0.08 1.61 1.02 -1.26 -4.79 119.74 117.90 3mfn s LYS 65 Ca 0.00 -1.21 -0.13 0.00 0.02 0.00 0.00 55.97 54.65 3mfn s LYS 65 Cb 0.00 -2.02 -0.05 0.00 -0.52 0.00 0.00 37.83 35.24 3mfn s LYS 65 CO 0.00 0.48 0.31 0.21 -0.92 0.00 0.00 175.35 175.43 3mfn s LYS 66 N -1.89 3.91 0.22 1.68 2.20 -1.26 -5.00 119.74 119.59 3mfn s LYS 66 Ca 0.15 0.18 0.02 0.00 -0.36 0.00 0.00 55.97 55.96 3mfn s LYS 66 Cb -0.10 -3.28 0.20 0.00 -1.51 0.00 0.00 37.83 33.14 3mfn s LYS 66 CO 0.07 0.56 1.54 1.79 -0.36 0.00 0.00 175.35 178.95 3mfn h THR 67 N 4.09 1.37 -4.12 3.43 1.35 -2.01 -3.43 112.91 113.59 3mfn h THR 67 Ca -0.49 -1.93 -0.49 0.00 -0.55 0.00 0.00 66.41 62.95 3mfn h THR 67 Cb 1.20 1.94 -0.30 0.00 -1.73 0.00 0.00 68.15 69.27 3mfn h THR 67 CO 0.65 0.58 -0.81 -0.75 -0.25 0.00 0.00 175.52 174.94 3mfn s LYS 68 N -3.82 1.21 2.67 4.72 2.20 -1.26 -5.09 119.74 120.37 3mfn s LYS 68 Ca -0.05 -0.49 0.00 0.00 -0.36 0.00 0.00 55.97 55.07 3mfn s LYS 68 Cb 0.12 -1.14 0.00 0.00 -1.51 0.00 0.00 37.83 35.29 3mfn s LYS 68 CO 0.81 0.27 0.00 0.41 -0.36 0.00 0.00 175.35 176.48 3mfn n GLY 69 N 2.86 -0.66 3.57 5.54 0.00 -1.26 -4.86 105.19 110.38 3mfn n GLY 69 Ca -0.15 -1.14 -0.28 0.00 0.00 0.00 0.00 46.02 44.45 3mfn n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mfn s ARG 70 N 0.00 2.09 0.65 1.61 0.52 -1.26 -4.97 118.95 117.58 3mfn s ARG 70 Ca 0.00 -1.15 -0.15 0.00 -0.52 0.00 0.00 55.73 53.91 3mfn s ARG 70 Cb 0.00 -2.23 -0.01 0.00 0.52 0.00 0.00 34.95 33.23 3mfn s ARG 70 CO 0.00 0.47 1.11 0.15 0.02 0.00 0.00 175.30 177.05 3mfn s LYS 71 N -2.54 2.86 0.07 3.54 1.02 -1.26 -5.05 119.74 118.38 3mfn s LYS 71 Ca 0.23 1.42 -0.01 0.00 0.02 0.00 0.00 55.97 57.63 3mfn s LYS 71 Cb -0.10 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 35.26 3mfn s LYS 71 CO 0.14 -1.21 0.10 -0.40 -0.92 0.00 0.00 175.35 173.06 3mfn n ASP 72 N -2.30 -0.27 -0.14 2.83 5.68 -1.26 -5.02 116.55 116.08 3mfn n ASP 72 Ca 0.10 -1.36 0.01 0.00 -0.50 0.00 0.00 54.79 53.04 3mfn n ASP 72 Cb 0.52 0.51 0.28 0.00 -1.14 0.00 0.00 41.12 41.28 3mfn n ASP 72 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 3mfn h VAL 73 N 1.19 1.18 -0.21 2.12 3.04 -2.01 -1.85 116.25 119.72 3mfn h VAL 73 Ca -0.05 -0.44 -0.06 0.00 -1.01 0.00 0.00 66.70 65.14 3mfn h VAL 73 Cb 0.23 0.36 -0.01 0.00 -2.01 0.00 0.00 31.29 29.85 3mfn h VAL 73 CO 0.07 0.20 -0.12 0.44 -1.01 0.00 0.00 177.57 177.15 3mfn h ASP 74 N 0.84 0.32 -0.62 3.17 3.32 -1.99 -1.45 116.42 120.01 3mfn h ASP 74 Ca 0.22 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 3mfn h ASP 74 Cb 0.01 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 3mfn h ASP 74 CO -0.04 0.48 0.25 -0.25 -1.72 0.00 0.00 179.24 177.96 3mfn h TRP 75 N 0.32 0.95 -0.37 4.55 7.01 -1.73 -1.33 115.95 125.35 3mfn h TRP 75 Ca 0.06 -0.07 -0.16 0.00 2.11 0.00 0.00 58.89 60.83 3mfn h TRP 75 Cb 0.41 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 27.18 3mfn h TRP 75 CO 0.01 0.76 -0.40 1.88 -2.79 0.00 0.00 178.44 177.90 3mfn h TYR 76 N 0.87 1.11 -0.39 2.65 0.05 -1.37 -2.51 116.97 117.39 3mfn h TYR 76 Ca 0.21 -0.34 -0.05 0.00 0.05 0.00 0.00 58.73 58.60 3mfn h TYR 76 Cb 0.21 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 3mfn h TYR 76 CO 0.01 1.17 0.06 0.87 -1.05 0.00 0.00 178.16 179.22 3mfn h LYS 77 N 0.73 0.65 -0.16 4.88 1.57 -1.11 -0.99 116.57 122.16 3mfn h LYS 77 Ca 0.05 -0.18 -0.13 0.00 -1.87 0.00 0.00 60.65 58.52 3mfn h LYS 77 Cb 0.99 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 3mfn h LYS 77 CO 0.10 0.71 -0.48 0.66 -0.57 0.00 0.00 179.45 179.87 3mfn h SER 78 N 0.50 0.44 -0.50 0.86 4.64 -1.26 0.27 113.55 118.50 3mfn h SER 78 Ca 0.12 -0.21 -0.06 0.00 -0.47 0.00 0.00 61.79 61.17 3mfn h SER 78 Cb 0.38 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.32 3mfn h SER 78 CO 0.01 0.85 0.12 0.78 -0.87 0.00 0.00 176.83 177.72 3mfn h ASN 79 N 0.32 0.81 1.34 4.97 2.35 -1.27 -2.85 115.58 121.25 3mfn h ASN 79 Ca 0.02 -0.15 -0.13 0.00 -0.55 0.00 0.00 56.30 55.49 3mfn h ASN 79 Cb 0.97 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 39.11 3mfn h ASN 79 CO 0.08 0.80 -0.60 -0.07 -1.65 0.00 0.00 177.43 175.99 3mfn h LEU 80 N 0.83 0.00 -0.78 1.61 3.38 -0.70 -3.22 115.31 116.42 3mfn h LEU 80 Ca 0.18 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 3mfn h LEU 80 Cb 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3mfn h LEU 80 CO 0.00 0.60 -0.07 0.00 0.09 0.00 0.00 178.44 179.06 3mfn h ALA 81 N 1.40 0.97 0.00 1.53 0.00 -0.24 -2.15 119.26 120.77 3mfn h ALA 81 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3mfn h ALA 81 Cb 1.43 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3mfn h ALA 81 CO 0.08 0.61 0.00 0.37 0.00 0.00 0.00 179.25 180.31 3mfn h GLN 82 N 0.77 0.00 0.00 0.00 -0.00 -1.53 -3.28 115.11 111.06 3mfn h GLN 82 Ca 0.13 0.00 -0.22 0.00 -0.00 0.00 0.00 58.65 58.56 3mfn h GLN 82 Cb 0.57 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 28.01 3mfn h GLN 82 CO 0.03 0.00 -1.84 0.94 0.00 0.00 0.00 178.83 177.97 3mfn n GLN 83 N -2.33 0.59 0.00 1.69 -0.06 -0.86 -5.10 117.38 111.31 3mfn n GLN 83 Ca 0.00 0.07 0.00 0.00 -2.00 0.00 0.00 57.00 55.07 3mfn n GLN 83 Cb 0.13 -1.30 0.00 0.00 -4.06 0.00 0.00 30.24 25.01 3mfn n GLN 83 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 3mfn n ASP 84 N -2.87 0.00 0.05 1.69 4.64 -0.88 -5.08 116.55 114.10 3mfn n ASP 84 Ca -0.25 0.00 -0.11 0.00 -1.38 0.00 0.00 54.79 53.05 3mfn n ASP 84 Cb 0.79 0.00 -0.13 0.00 -1.04 0.00 0.00 41.12 40.74 3mfn n ASP 84 CO 0.00 0.00 0.00 0.50 -0.82 0.00 0.00 177.20 176.88 3mfn h LYS 85 N 0.00 0.10 -0.89 -0.67 3.64 -1.85 -1.77 116.57 115.14 3mfn h LYS 85 Ca 0.00 -0.18 0.01 0.00 -1.27 0.00 0.00 60.65 59.21 3mfn h LYS 85 Cb 0.00 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 3mfn h LYS 85 CO 0.00 0.97 0.59 -0.22 -2.27 0.00 0.00 179.45 178.51 3mfn h LYS 86 N 0.03 1.17 0.07 1.90 3.64 -1.98 -0.41 116.57 121.01 3mfn h LYS 86 Ca -0.14 -0.07 -0.25 0.00 -1.27 0.00 0.00 60.65 58.92 3mfn h LYS 86 Cb 1.91 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 33.47 3mfn h LYS 86 CO 0.14 0.78 -1.11 0.82 -2.27 0.00 0.00 179.45 177.81 3mfn h ILE 87 N 1.21 1.48 0.11 2.00 1.08 -1.84 -1.08 117.51 120.46 3mfn h ILE 87 Ca 0.33 -2.84 0.02 0.00 -0.39 0.00 0.00 64.86 61.97 3mfn h ILE 87 Cb -0.13 2.74 -0.04 0.00 -3.07 0.00 0.00 36.82 36.31 3mfn h ILE 87 CO -0.07 0.83 -0.31 0.25 -0.69 0.00 0.00 178.15 178.17 3mfn h LEU 88 N 0.12 -0.89 -0.84 1.44 5.85 -1.02 -0.21 115.31 119.76 3mfn h LEU 88 Ca -0.10 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3mfn h LEU 88 Cb 1.80 0.34 -0.04 0.00 0.37 0.00 0.00 40.66 43.13 3mfn h LEU 88 CO 0.18 -0.39 0.48 0.78 -0.34 0.00 0.00 178.44 179.15 3mfn h ASN 89 N -0.52 1.04 -0.42 1.25 2.35 -0.95 -0.36 115.58 117.96 3mfn h ASN 89 Ca 0.03 -0.09 0.03 0.00 -0.55 0.00 0.00 56.30 55.73 3mfn h ASN 89 Cb 0.56 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.63 3mfn h ASN 89 CO -0.19 0.82 0.21 0.74 -1.65 0.00 0.00 177.43 177.37 3mfn h THR 90 N 1.17 0.98 -0.57 2.81 2.02 -0.99 -2.04 112.91 116.28 3mfn h THR 90 Ca 0.30 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 67.26 3mfn h THR 90 Cb 0.00 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 3mfn h THR 90 CO -0.05 0.08 0.09 0.15 0.37 0.00 0.00 175.52 176.16 3mfn h PHE 91 N 0.43 0.97 -0.75 3.16 3.57 -0.13 -1.25 116.94 122.95 3mfn h PHE 91 Ca 0.18 -0.12 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 3mfn h PHE 91 Cb 0.08 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 3mfn h PHE 91 CO -0.10 0.83 0.32 0.28 -2.23 0.00 0.00 178.31 177.41 3mfn h VAL 92 N 0.87 1.25 -0.26 1.41 2.07 -0.60 0.95 116.25 121.94 3mfn h VAL 92 Ca 0.18 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 3mfn h VAL 92 Cb 0.39 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3mfn h VAL 92 CO 0.01 0.31 0.03 -1.28 0.02 0.00 0.00 177.57 176.66 3mfn h SER 93 N 1.08 0.42 -0.56 0.57 0.87 -1.17 0.26 113.55 115.02 3mfn h SER 93 Ca 0.25 -0.27 0.11 0.00 -1.23 0.00 0.00 61.79 60.65 3mfn h SER 93 Cb 0.17 -0.11 -0.09 0.00 -0.44 0.00 0.00 62.40 61.92 3mfn h SER 93 CO -0.03 0.59 0.01 0.58 -0.53 0.00 0.00 176.83 177.46 3mfn h VAL 94 N 0.24 0.56 -0.42 2.23 2.07 -0.65 0.16 116.25 120.43 3mfn h VAL 94 Ca 0.08 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.59 3mfn h VAL 94 Cb 0.36 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 3mfn h VAL 94 CO 0.01 0.02 0.20 0.22 0.02 0.00 0.00 177.57 178.04 3mfn h TYR 95 N 0.13 0.37 0.08 1.57 3.20 -0.44 0.36 116.97 122.23 3mfn h TYR 95 Ca 0.29 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.17 3mfn h TYR 95 Cb 0.45 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.62 3mfn h TYR 95 CO -0.33 0.18 -0.04 0.93 -1.64 0.00 0.00 178.16 177.26 3mfn h GLU 96 N 0.40 -0.11 0.16 1.82 4.39 0.04 -1.32 114.58 119.96 3mfn h GLU 96 Ca 0.18 0.01 -0.26 0.00 0.34 0.00 0.00 59.36 59.64 3mfn h GLU 96 Cb 0.10 0.02 0.03 0.00 -0.10 0.00 0.00 28.75 28.81 3mfn h GLU 96 CO -0.14 0.02 -1.10 1.96 -1.16 0.00 0.00 179.01 178.59 3mfn h GLN 97 N -0.22 0.46 0.07 2.33 1.08 -0.52 -0.56 115.11 117.75 3mfn h GLN 97 Ca -0.01 -0.71 -0.34 0.00 -1.45 0.00 0.00 58.65 56.13 3mfn h GLN 97 Cb 0.18 0.25 -0.03 0.00 -0.05 0.00 0.00 27.48 27.84 3mfn h GLN 97 CO 0.02 1.33 -1.92 1.28 -0.95 0.00 0.00 178.83 178.58 3mfn n LEU 98 N -3.94 2.46 -0.03 1.46 4.32 0.12 -3.88 117.00 117.53 3mfn n LEU 98 Ca -0.15 0.22 -0.16 0.00 -0.02 0.00 0.00 56.01 55.91 3mfn n LEU 98 Cb 0.93 -1.04 -0.14 0.00 -1.62 0.00 0.00 43.42 41.56 3mfn n LEU 98 CO 0.54 0.72 0.26 -0.74 -1.22 0.00 0.00 177.39 176.96 3mfn h HIS 99 N -0.25 0.20 0.00 -1.77 2.76 -1.32 0.69 115.15 115.46 3mfn h HIS 99 Ca -0.44 -0.15 -0.01 0.00 -2.20 0.00 0.00 60.37 57.57 3mfn h HIS 99 Cb 1.83 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 30.78 3mfn h HIS 99 CO 0.07 1.11 -0.30 -0.07 -1.30 0.00 0.00 177.93 177.44 3mfn h LEU 100 N -0.76 0.00 0.00 0.26 3.38 -1.12 -2.32 115.31 114.74 3mfn h LEU 100 Ca -0.05 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3mfn h LEU 100 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3mfn h LEU 100 CO 0.06 0.67 0.00 0.52 0.09 0.00 0.00 178.44 179.78 3mfn n VAL 101 N -4.68 0.28 0.00 1.22 0.31 -0.23 -1.38 118.33 113.85 3mfn n VAL 101 Ca -0.05 0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 3mfn n VAL 101 Cb 0.17 -0.94 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 3mfn n VAL 101 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mfn n ALA 103 N -1.10 0.00 -0.09 3.52 0.00 0.23 -0.99 120.51 122.09 3mfn n ALA 103 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.28 3mfn n ALA 103 Cb 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.37 3mfn n ALA 103 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3mfn h TYR 104 N 0.00 0.03 0.00 0.00 3.20 -1.29 -3.42 116.97 115.49 3mfn h TYR 104 Ca 0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 3mfn h TYR 104 Cb 0.00 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 3mfn h TYR 104 CO 0.00 1.46 -0.99 -0.25 -1.64 0.00 0.00 178.16 176.74 3mfn n ASP 105 N -4.40 0.62 -0.97 -2.11 9.92 -0.48 -4.99 116.55 114.15 3mfn n ASP 105 Ca -0.30 -0.09 -0.08 0.00 -0.53 0.00 0.00 54.79 53.79 3mfn n ASP 105 Cb 0.68 0.70 -0.00 0.00 -0.64 0.00 0.00 41.12 41.85 3mfn n ASP 105 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3mfn n GLY 106 N 1.34 0.04 3.54 0.44 0.00 -0.64 -5.00 105.19 104.91 3mfn n GLY 106 Ca 0.02 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 3mfn n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mfn s VAL 107 N -2.43 4.70 -0.51 1.61 1.01 -0.16 -4.54 120.40 120.08 3mfn s VAL 107 Ca 0.01 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 61.97 3mfn s VAL 107 Cb -0.00 -3.18 0.14 0.00 0.00 0.00 0.00 36.38 33.34 3mfn s VAL 107 CO 0.01 0.36 0.30 -0.83 0.00 0.00 0.00 175.10 174.94 3mfn s GLY 108 N 1.21 2.12 -0.49 4.51 0.00 -1.26 -4.94 107.32 108.48 3mfn s GLY 108 Ca 0.05 -3.03 -0.23 0.00 0.00 0.00 0.00 44.72 41.51 3mfn s GLY 108 CO 0.04 1.32 0.81 -0.35 0.00 0.00 0.00 173.10 174.93 3mfn s ASP 109 N -0.20 6.37 0.27 1.64 -1.08 -1.26 -1.01 116.67 121.39 3mfn s ASP 109 Ca 0.20 -0.27 -0.04 0.00 -0.52 0.00 0.00 52.55 51.92 3mfn s ASP 109 Cb -0.19 -2.39 0.36 0.00 -1.46 0.00 0.00 42.92 39.24 3mfn s ASP 109 CO -0.04 -1.00 1.91 0.00 0.52 0.00 0.00 175.17 176.56 3mfn h ALA 110 N 9.08 1.36 -0.05 3.66 0.00 -1.52 0.37 119.26 132.17 3mfn h ALA 110 Ca -0.25 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 3mfn h ALA 110 Cb 1.08 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3mfn h ALA 110 CO 1.00 0.54 -0.68 0.93 0.00 0.00 0.00 179.25 181.03 3mfn h GLU 111 N 1.24 0.21 -0.32 0.00 4.39 -1.92 -0.87 114.58 117.31 3mfn h GLU 111 Ca 0.39 -0.17 -0.06 0.00 0.34 0.00 0.00 59.36 59.87 3mfn h GLU 111 Cb 0.01 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 3mfn h GLU 111 CO -0.12 0.81 -0.04 0.28 -1.16 0.00 0.00 179.01 178.78 3mfn h VAL 112 N 0.15 1.27 -0.66 3.13 2.07 -1.29 -2.88 116.25 118.04 3mfn h VAL 112 Ca -0.02 -1.03 0.12 0.00 0.82 0.00 0.00 66.70 66.59 3mfn h VAL 112 Cb 1.22 1.31 -0.09 0.00 -1.52 0.00 0.00 31.29 32.21 3mfn h VAL 112 CO 0.10 0.34 0.21 0.58 0.02 0.00 0.00 177.57 178.82 3mfn h VAL 113 N 0.37 0.68 -0.44 2.57 2.07 -0.18 -0.37 116.25 120.94 3mfn h VAL 113 Ca 0.09 -0.12 0.08 0.00 0.82 0.00 0.00 66.70 67.56 3mfn h VAL 113 Cb 0.50 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 3mfn h VAL 113 CO 0.02 0.07 0.06 0.50 0.02 0.00 0.00 177.57 178.24 3mfn h LYS 114 N 0.36 0.18 -0.80 1.57 3.64 -1.08 0.12 116.57 120.57 3mfn h LYS 114 Ca 0.35 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.68 3mfn h LYS 114 Cb 0.50 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 3mfn h LYS 114 CO -0.38 0.12 0.36 -0.07 -2.27 0.00 0.00 179.45 177.21 3mfn h LEU 115 N 0.19 1.07 -0.43 5.20 3.38 -1.10 -0.66 115.31 122.96 3mfn h LEU 115 Ca 0.22 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.07 3mfn h LEU 115 Cb 0.29 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3mfn h LEU 115 CO -0.31 0.92 0.23 1.23 0.09 0.00 0.00 178.44 180.60 3mfn h GLY 116 N 1.14 0.59 1.42 0.83 0.00 0.27 -0.76 103.07 106.56 3mfn h GLY 116 Ca 0.27 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.40 3mfn h GLY 116 CO -0.03 0.13 0.15 0.74 0.00 0.00 0.00 176.54 177.53 3mfn h PHE 117 N 0.46 0.75 -0.66 5.60 0.04 -0.56 -1.54 116.94 121.04 3mfn h PHE 117 Ca 0.18 -0.05 -0.06 0.00 2.80 0.00 0.00 57.97 60.83 3mfn h PHE 117 Cb 0.06 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 37.95 3mfn h PHE 117 CO -0.09 0.62 0.17 0.37 -0.60 0.00 0.00 178.31 178.79 3mfn h GLN 118 N 0.72 1.03 -0.71 1.51 5.75 -0.54 -1.64 115.11 121.23 3mfn h GLN 118 Ca 0.17 -0.23 -0.05 0.00 -0.15 0.00 0.00 58.65 58.39 3mfn h GLN 118 Cb 0.23 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 3mfn h GLN 118 CO -0.01 0.90 0.26 0.00 -2.65 0.00 0.00 178.83 177.34 3mfn h ARG 119 N 0.98 1.08 -0.29 1.69 2.47 -0.73 -1.69 114.38 117.90 3mfn h ARG 119 Ca 0.21 -0.21 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3mfn h ARG 119 Cb 0.33 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.47 3mfn h ARG 119 CO -0.00 0.91 0.17 0.00 0.56 0.00 0.00 179.97 181.61 3mfn h ALA 120 N 1.12 0.36 0.00 0.04 0.00 -1.08 -1.69 119.26 118.02 3mfn h ALA 120 Ca 0.23 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3mfn h ALA 120 Cb 0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3mfn h ALA 120 CO -0.01 -0.13 -0.33 1.05 0.00 0.00 0.00 179.25 179.82 3mfn h GLU 121 N 0.36 0.00 -0.68 0.00 4.11 -1.06 -1.55 114.58 115.76 3mfn h GLU 121 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.54 3mfn h GLU 121 Cb 0.01 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 3mfn h GLU 121 CO -0.02 0.33 0.44 0.82 0.07 0.00 0.00 179.01 180.66 3mfn h ILE 122 N 0.00 1.18 -0.36 -1.06 2.04 -0.67 -0.47 117.51 118.17 3mfn h ILE 122 Ca -0.00 -0.35 -0.16 0.00 1.00 0.00 0.00 64.86 65.35 3mfn h ILE 122 Cb 0.67 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 3mfn h ILE 122 CO 0.04 0.18 -0.39 0.40 0.00 0.00 0.00 178.15 178.38 3mfn h ILE 123 N 0.93 1.28 -0.59 -0.67 1.08 -0.79 -0.97 117.51 117.77 3mfn h ILE 123 Ca 0.25 -1.57 -0.10 0.00 -0.39 0.00 0.00 64.86 63.05 3mfn h ILE 123 Cb -0.09 1.44 -0.02 0.00 -3.07 0.00 0.00 36.82 35.09 3mfn h ILE 123 CO -0.05 0.52 -0.02 0.40 -0.69 0.00 0.00 178.15 178.31 3mfn h ILE 124 N 0.71 1.27 -0.38 -0.67 2.04 -1.07 -2.14 117.51 117.26 3mfn h ILE 124 Ca 0.05 -1.17 -0.10 0.00 1.00 0.00 0.00 64.86 64.64 3mfn h ILE 124 Cb 0.99 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 3mfn h ILE 124 CO 0.10 0.42 -0.19 0.44 0.00 0.00 0.00 178.15 178.92 3mfn h ASP 125 N 0.96 0.71 -0.38 1.72 3.32 -0.99 -1.25 116.42 120.51 3mfn h ASP 125 Ca 0.17 -0.24 0.02 0.00 0.02 0.00 0.00 57.03 57.00 3mfn h ASP 125 Cb 0.58 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 3mfn h ASP 125 CO 0.03 0.90 0.21 -0.25 -1.72 0.00 0.00 179.24 178.42 3mfn h TRP 126 N 0.63 0.40 0.31 4.55 7.01 -0.86 -0.28 115.95 127.71 3mfn h TRP 126 Ca 0.10 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.11 3mfn h TRP 126 Cb 0.66 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.58 3mfn h TRP 126 CO 0.03 0.22 -0.30 0.28 -2.79 0.00 0.00 178.44 175.89 3mfn h VAL 127 N 0.43 0.38 -0.60 2.65 2.07 -1.11 -0.06 116.25 120.00 3mfn h VAL 127 Ca 0.15 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.80 3mfn h VAL 127 Cb 0.03 0.38 -0.11 0.00 -1.52 0.00 0.00 31.29 30.06 3mfn h VAL 127 CO -0.08 0.00 -0.11 -0.08 0.02 0.00 0.00 177.57 177.32 3mfn h GLU 128 N -0.63 0.03 0.00 1.57 4.81 -1.00 -0.79 114.58 118.56 3mfn h GLU 128 Ca -0.02 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 3mfn h GLU 128 Cb 0.58 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 3mfn h GLU 128 CO -0.05 0.02 -0.19 -0.09 -0.73 0.00 0.00 179.01 177.97 3mfn h ARG 129 N 0.03 0.00 0.16 1.92 2.43 -0.78 -2.64 114.38 115.50 3mfn h ARG 129 Ca 0.30 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 59.24 3mfn h ARG 129 Cb 0.47 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.04 3mfn h ARG 129 CO -0.59 0.19 -1.03 0.00 -1.51 0.00 0.00 179.97 177.03 3mfn h ARG 130 N 0.00 0.33 0.00 0.20 2.47 0.05 -3.36 114.38 114.08 3mfn h ARG 130 Ca -0.00 -0.57 -0.01 0.00 -1.26 0.00 0.00 59.98 58.14 3mfn h ARG 130 Cb 0.74 0.21 -0.00 0.00 -1.65 0.00 0.00 29.97 29.27 3mfn h ARG 130 CO 0.02 1.27 -0.04 -0.07 0.56 0.00 0.00 179.97 181.72 3mfn h LEU 131 N -0.27 0.00 -2.17 3.04 3.38 -1.01 -0.04 115.31 118.24 3mfn h LEU 131 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3mfn h LEU 131 Cb 1.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.50 3mfn h LEU 131 CO 0.16 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.72 3mfn n ALA 132 N -2.32 2.77 0.25 1.53 0.00 -1.01 -5.11 120.51 116.62 3mfn n ALA 132 Ca -0.03 -1.03 0.02 0.00 0.00 0.00 0.00 53.44 52.40 3mfn n ALA 132 Cb 0.13 -1.00 0.12 0.00 0.00 0.00 0.00 19.45 18.69 3mfn n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50