#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mfn s SER 8 N 0.00 2.39 0.15 -1.43 1.04 -1.26 -4.92 113.70 109.67 3mfn s SER 8 Ca 0.00 -1.33 -0.27 0.00 0.48 0.00 0.00 55.95 54.83 3mfn s SER 8 Cb 0.00 -0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.02 3mfn s SER 8 CO 0.00 -0.55 1.58 0.00 0.98 0.00 0.00 173.24 175.25 3mfn h ALA 9 N 2.18 -0.44 -0.33 5.32 0.00 -2.00 0.15 119.26 124.15 3mfn h ALA 9 Ca -0.40 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.41 3mfn h ALA 9 Cb 1.24 0.83 -0.00 0.00 0.00 0.00 0.00 17.79 19.86 3mfn h ALA 9 CO 0.69 -0.86 -0.35 0.37 0.00 0.00 0.00 179.25 179.09 3mfn h GLN 10 N -0.36 0.81 -0.50 0.00 4.15 -1.97 -3.10 115.11 114.13 3mfn h GLN 10 Ca 0.12 -0.44 0.06 0.00 0.77 0.00 0.00 58.65 59.16 3mfn h GLN 10 Cb 0.59 0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.25 3mfn h GLN 10 CO -0.51 1.08 0.22 0.93 -1.93 0.00 0.00 178.83 178.61 3mfn h GLU 11 N 0.59 0.41 -0.76 1.69 5.08 -1.79 -0.97 114.58 118.83 3mfn h GLU 11 Ca 0.05 -0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.53 3mfn h GLU 11 Cb 0.94 -0.09 -0.09 0.00 0.50 0.00 0.00 28.75 30.00 3mfn h GLU 11 CO 0.09 0.27 0.31 0.00 -1.00 0.00 0.00 179.01 178.68 3mfn h ALA 12 N 1.31 1.08 -0.31 3.43 0.00 -0.70 0.82 119.26 124.88 3mfn h ALA 12 Ca 0.23 0.11 -0.12 0.00 0.00 0.00 0.00 54.91 55.14 3mfn h ALA 12 Cb 0.20 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3mfn h ALA 12 CO -0.20 -0.20 -0.26 0.28 0.00 0.00 0.00 179.25 178.86 3mfn h VAL 13 N 0.46 1.29 -0.43 0.00 2.07 -1.30 -0.99 116.25 117.36 3mfn h VAL 13 Ca 0.42 -1.42 0.07 0.00 0.82 0.00 0.00 66.70 66.59 3mfn h VAL 13 Cb 0.63 1.51 -0.06 0.00 -1.52 0.00 0.00 31.29 31.84 3mfn h VAL 13 CO -0.40 0.46 0.07 0.40 0.02 0.00 0.00 177.57 178.12 3mfn h ILE 14 N 0.49 0.75 0.07 4.57 1.08 -0.81 -0.53 117.51 123.14 3mfn h ILE 14 Ca 0.06 -0.07 -0.00 0.00 -0.39 0.00 0.00 64.86 64.45 3mfn h ILE 14 Cb 0.83 0.54 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 3mfn h ILE 14 CO 0.07 0.04 -0.03 -0.08 -0.69 0.00 0.00 178.15 177.45 3mfn h GLU 15 N 0.20 -0.09 -0.82 2.37 4.57 -0.68 0.23 114.58 120.36 3mfn h GLU 15 Ca 0.21 0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.49 3mfn h GLU 15 Cb 0.27 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.82 3mfn h GLU 15 CO -0.29 -0.03 0.48 0.00 -1.18 0.00 0.00 179.01 177.98 3mfn h ALA 16 N 0.80 1.16 -0.08 2.92 0.00 -0.93 -0.28 119.26 122.85 3mfn h ALA 16 Ca -0.01 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3mfn h ALA 16 Cb 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3mfn h ALA 16 CO 0.02 0.13 -0.33 0.87 0.00 0.00 0.00 179.25 179.93 3mfn h LYS 17 N 0.82 0.14 -0.51 0.00 1.57 -0.76 -2.31 116.57 115.53 3mfn h LYS 17 Ca 0.39 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.10 3mfn h LYS 17 Cb 0.32 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 3mfn h LYS 17 CO -0.23 0.47 0.27 -0.09 -0.57 0.00 0.00 179.45 179.29 3mfn h ARG 18 N 0.13 0.71 -0.24 3.15 2.43 0.80 0.07 114.38 121.43 3mfn h ARG 18 Ca 0.02 -0.09 0.05 0.00 -0.81 0.00 0.00 59.98 59.15 3mfn h ARG 18 Cb 0.65 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.01 3mfn h ARG 18 CO 0.05 0.56 -0.10 1.88 -1.51 0.00 0.00 179.97 180.85 3mfn h TYR 19 N 0.67 -0.24 -0.27 2.20 0.05 -0.98 0.26 116.97 118.66 3mfn h TYR 19 Ca 0.18 0.03 0.02 0.00 0.05 0.00 0.00 58.73 59.00 3mfn h TYR 19 Cb 0.07 0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.93 3mfn h TYR 19 CO -0.01 -0.16 0.13 1.25 -1.05 0.00 0.00 178.16 178.32 3mfn h LEU 20 N -0.06 0.19 -0.79 3.88 5.85 -1.11 -0.20 115.31 123.07 3mfn h LEU 20 Ca 0.13 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 3mfn h LEU 20 Cb 0.25 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 3mfn h LEU 20 CO -0.29 0.15 0.17 0.78 -0.34 0.00 0.00 178.44 178.91 3mfn h ASN 21 N 0.28 1.02 -0.92 1.25 2.35 -0.55 -1.87 115.58 117.13 3mfn h ASN 21 Ca 0.11 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 3mfn h ASN 21 Cb 0.04 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.10 3mfn h ASN 21 CO -0.08 0.98 0.55 0.78 -1.65 0.00 0.00 177.43 178.00 3mfn h ASN 22 N 1.03 1.11 -0.48 5.81 2.35 -0.01 -1.63 115.58 123.76 3mfn h ASN 22 Ca 0.22 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 3mfn h ASN 22 Cb 0.35 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 3mfn h ASN 22 CO 0.00 0.86 0.27 0.00 -1.65 0.00 0.00 177.43 176.91 3mfn h ALA 23 N 1.33 0.62 -0.66 -0.83 0.00 -0.44 -1.08 119.26 118.20 3mfn h ALA 23 Ca 0.33 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3mfn h ALA 23 Cb -0.04 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3mfn h ALA 23 CO -0.06 0.12 0.44 0.87 0.00 0.00 0.00 179.25 180.62 3mfn h LYS 24 N 0.64 0.86 -0.35 0.00 1.57 -1.15 -2.03 116.57 116.11 3mfn h LYS 24 Ca 0.17 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.94 3mfn h LYS 24 Cb 0.03 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.11 3mfn h LYS 24 CO -0.03 0.57 0.14 -0.44 -0.57 0.00 0.00 179.45 179.12 3mfn h ASP 25 N 0.88 0.17 -0.59 0.86 3.32 -1.07 -0.55 116.42 119.44 3mfn h ASP 25 Ca 0.25 0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.41 3mfn h ASP 25 Cb -0.09 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.41 3mfn h ASP 25 CO -0.06 0.13 0.24 0.40 -1.72 0.00 0.00 179.24 178.23 3mfn h ILE 26 N 0.30 0.81 0.51 0.35 2.04 -0.83 0.11 117.51 120.80 3mfn h ILE 26 Ca 0.16 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 3mfn h ILE 26 Cb 0.11 0.34 0.01 0.00 -0.74 0.00 0.00 36.82 36.54 3mfn h ILE 26 CO -0.15 0.08 -0.25 -0.07 0.00 0.00 0.00 178.15 177.77 3mfn h LEU 27 N 0.43 -0.58 -1.01 1.44 3.38 -0.86 0.14 115.31 118.26 3mfn h LEU 27 Ca 0.29 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.25 3mfn h LEU 27 Cb 0.33 0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 3mfn h LEU 27 CO -0.27 -0.28 0.66 -0.09 0.09 0.00 0.00 178.44 178.55 3mfn h ARG 28 N -0.89 1.20 0.15 1.13 2.43 -0.99 0.32 114.38 117.73 3mfn h ARG 28 Ca -0.07 -0.07 -0.22 0.00 -0.81 0.00 0.00 59.98 58.81 3mfn h ARG 28 Cb 0.60 -0.27 0.02 0.00 -0.42 0.00 0.00 29.97 29.90 3mfn h ARG 28 CO 0.12 0.80 -1.01 -0.44 -1.51 0.00 0.00 179.97 177.93 3mfn h ASP 29 N 1.24 0.48 0.00 -3.80 3.32 -0.69 -3.41 116.42 113.55 3mfn h ASP 29 Ca 0.41 -0.93 0.00 0.00 0.02 0.00 0.00 57.03 56.54 3mfn h ASP 29 Cb 0.06 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.45 3mfn h ASP 29 CO -0.14 1.47 0.00 0.29 -1.72 0.00 0.00 179.24 179.14 3mfn n LYS 30 N -4.05 -0.53 0.23 3.56 5.02 0.46 -4.73 118.16 118.12 3mfn n LYS 30 Ca -0.17 -0.34 0.07 0.00 -2.02 0.00 0.00 58.31 55.85 3mfn n LYS 30 Cb 0.86 -0.83 0.53 0.00 -0.02 0.00 0.00 35.03 35.57 3mfn n LYS 30 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3mfn h GLY 31 N 0.00 0.00 -4.33 0.72 0.00 0.04 -3.44 103.07 96.07 3mfn h GLY 31 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 3mfn h GLY 31 CO 0.00 0.00 -0.49 0.61 0.00 0.00 0.00 176.54 176.66 3mfn n GLY 32 N -0.81 -0.07 3.65 4.60 0.00 -1.25 -1.81 105.19 109.50 3mfn n GLY 32 Ca -0.02 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 -5.10 3.90 -0.03 1.61 2.20 -1.26 -1.77 119.74 119.30 3mfn s LYS 33 Ca 0.08 2.39 0.02 0.00 -0.36 0.00 0.00 55.97 58.10 3mfn s LYS 33 Cb -0.04 -4.19 0.01 0.00 -1.51 0.00 0.00 37.83 32.11 3mfn s LYS 33 CO 0.48 -1.22 -0.05 -1.21 -0.36 0.00 0.00 175.35 172.99 3mfn s GLU 34 N 4.85 0.68 -1.58 4.03 2.02 0.11 -4.91 118.70 123.89 3mfn s GLU 34 Ca 0.89 -0.16 -0.15 0.00 0.02 0.00 0.00 54.97 55.57 3mfn s GLU 34 Cb -0.39 -0.68 0.11 0.00 0.10 0.00 0.00 34.13 33.27 3mfn s GLU 34 CO 0.38 0.02 0.89 -0.25 0.02 0.00 0.00 175.26 176.32 3mfn n ASP 35 N 3.55 -4.30 0.00 -0.19 10.43 -1.26 -1.64 116.55 123.14 3mfn n ASP 35 Ca -0.20 -0.83 0.00 0.00 2.57 0.00 0.00 54.79 56.33 3mfn n ASP 35 Cb 0.54 -3.46 0.00 0.00 1.84 0.00 0.00 41.12 40.04 3mfn n ASP 35 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3mfn n GLY 36 N -1.56 0.83 3.13 0.44 0.00 -1.26 -5.03 105.19 101.74 3mfn n GLY 36 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.24 1.40 -0.36 1.61 0.08 -0.65 -0.37 117.98 116.45 3mfn s PHE 37 Ca 0.00 -0.28 -0.29 0.00 0.12 0.00 0.00 56.93 56.48 3mfn s PHE 37 Cb 0.00 -0.91 0.01 0.00 -0.57 0.00 0.00 43.02 41.55 3mfn s PHE 37 CO 0.00 -0.04 1.36 0.71 -0.10 0.00 0.00 175.22 177.16 3mfn s TYR 38 N -0.31 2.52 -0.18 0.36 2.02 0.12 -0.71 117.35 121.16 3mfn s TYR 38 Ca 0.05 0.75 0.20 0.00 -0.37 0.00 0.00 57.07 57.70 3mfn s TYR 38 Cb -0.07 -4.13 0.34 0.00 -0.40 0.00 0.00 41.96 37.71 3mfn s TYR 38 CO -0.00 -1.88 1.58 1.96 -1.57 0.00 0.00 175.55 175.63 3mfn h GLN 39 N 10.05 0.00 -4.80 -0.62 1.08 -0.69 -3.41 115.11 116.72 3mfn h GLN 39 Ca -0.27 0.00 -0.70 0.00 -1.45 0.00 0.00 58.65 56.23 3mfn h GLN 39 Cb 1.10 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 28.34 3mfn h GLN 39 CO 1.06 0.28 0.51 0.34 -0.95 0.00 0.00 178.83 180.07 3mfn s ASP 40 N -6.31 6.49 0.56 1.46 -1.08 -0.75 -4.89 116.67 112.15 3mfn s ASP 40 Ca 0.04 -1.87 0.24 0.00 -0.52 0.00 0.00 52.55 50.44 3mfn s ASP 40 Cb 0.07 -2.35 1.60 0.00 -1.46 0.00 0.00 42.92 40.79 3mfn s ASP 40 CO 0.70 -1.04 2.21 0.77 0.52 0.00 0.00 175.17 178.33 3mfn h SER 41 N 8.84 0.00 -0.84 -0.34 4.64 -1.80 -1.84 113.55 122.21 3mfn h SER 41 Ca -0.01 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.34 3mfn h SER 41 Cb 1.05 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.09 3mfn h SER 41 CO 1.06 0.00 0.54 0.50 -0.87 0.00 0.00 176.83 178.05 3mfn h LYS 42 N 0.00 1.02 0.00 4.77 3.64 -1.90 -0.95 116.57 123.15 3mfn h LYS 42 Ca 0.00 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.20 3mfn h LYS 42 Cb 0.00 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 3mfn h LYS 42 CO -0.00 0.67 -0.92 1.88 -2.27 0.00 0.00 179.45 178.81 3mfn h TYR 43 N 1.05 0.00 -0.20 1.91 0.05 -1.65 -3.16 116.97 114.97 3mfn h TYR 43 Ca 0.33 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.11 3mfn h TYR 43 Cb 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 3mfn h TYR 43 CO -0.02 0.47 0.11 0.28 -1.05 0.00 0.00 178.16 177.95 3mfn h VAL 44 N 0.00 1.11 0.00 -2.88 2.07 -1.22 0.50 116.25 115.83 3mfn h VAL 44 Ca -0.07 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3mfn h VAL 44 Cb 1.42 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 3mfn h VAL 44 CO 0.05 0.11 0.00 0.29 0.02 0.00 0.00 177.57 178.04 3mfn n LYS 45 N -4.89 0.00 0.00 1.57 5.02 -0.38 -0.70 118.16 118.78 3mfn n LYS 45 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 3mfn n LYS 45 Cb 0.08 -1.21 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 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 0.72 0.00 -0.31 7.82 0.00 0.16 -1.30 120.51 127.60 3mfn n ALA 47 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 3mfn n ALA 47 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 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 1.20 1.04 0.00 0.00 -1.16 -1.57 103.07 102.58 3mfn h GLY 48 Ca 0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 47.33 46.77 3mfn h GLY 48 CO 0.00 0.45 -0.10 0.84 0.00 0.00 0.00 176.54 177.73 3mfn h HIS 49 N 1.15 1.01 -0.07 5.60 6.17 -1.39 -1.62 115.15 126.00 3mfn h HIS 49 Ca 0.31 -0.21 -0.01 0.00 0.71 0.00 0.00 60.37 61.16 3mfn h HIS 49 Cb -0.11 -0.25 -0.00 0.00 2.52 0.00 0.00 27.41 29.57 3mfn h HIS 49 CO -0.01 0.98 0.00 1.15 0.71 0.00 0.00 177.93 180.76 3mfn h THR 50 N 0.75 1.25 -0.31 6.26 2.02 -1.78 -1.92 112.91 119.17 3mfn h THR 50 Ca 0.12 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 66.54 3mfn h THR 50 Cb 0.65 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 3mfn h THR 50 CO 0.04 0.21 0.21 0.00 0.37 0.00 0.00 175.52 176.35 3mfn h ALA 51 N 0.73 0.40 -1.01 6.16 0.00 -1.24 -1.75 119.26 122.56 3mfn h ALA 51 Ca 0.02 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3mfn h ALA 51 Cb 0.33 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 3mfn h ALA 51 CO 0.00 -0.13 0.66 -0.92 0.00 0.00 0.00 179.25 178.86 3mfn h TYR 52 N 0.43 1.23 -0.14 0.00 3.20 -1.32 -1.92 116.97 118.45 3mfn h TYR 52 Ca 0.12 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.95 3mfn h TYR 52 Cb -0.05 -0.41 -0.01 0.00 1.54 0.00 0.00 36.73 37.80 3mfn h TYR 52 CO -0.05 0.70 -0.21 0.77 -1.64 0.00 0.00 178.16 177.74 3mfn h SER 53 N 1.27 0.24 -0.54 -2.11 0.02 -0.72 -0.78 113.55 110.93 3mfn h SER 53 Ca 0.40 -0.06 -0.12 0.00 -0.84 0.00 0.00 61.79 61.18 3mfn h SER 53 Cb 0.01 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 3mfn h SER 53 CO -0.13 0.46 -0.11 1.23 -1.14 0.00 0.00 176.83 177.14 3mfn h GLY 54 N 0.88 1.12 0.91 -3.77 0.00 -0.58 0.74 103.07 102.38 3mfn h GLY 54 Ca 0.04 -0.91 -0.03 0.00 0.00 0.00 0.00 47.33 46.44 3mfn h GLY 54 CO 0.03 0.83 0.10 -2.08 0.00 0.00 0.00 176.54 175.42 3mfn h VAL 55 N 0.92 1.21 -0.73 4.60 2.07 -0.92 -1.62 116.25 121.77 3mfn h VAL 55 Ca 0.14 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 3mfn h VAL 55 Cb 0.68 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 3mfn h VAL 55 CO 0.05 0.23 0.40 -0.07 0.02 0.00 0.00 177.57 178.20 3mfn h LEU 56 N 0.35 0.89 -0.31 2.57 3.38 -1.03 -1.46 115.31 119.70 3mfn h LEU 56 Ca 0.10 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3mfn h LEU 56 Cb 0.25 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3mfn h LEU 56 CO -0.00 0.71 0.16 0.15 0.09 0.00 0.00 178.44 179.55 3mfn h PHE 57 N 1.01 0.44 0.29 1.13 3.04 -0.54 0.18 116.94 122.49 3mfn h PHE 57 Ca 0.26 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.19 3mfn h PHE 57 Cb 0.01 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 38.36 3mfn h PHE 57 CO 0.01 0.37 -0.29 0.00 -2.02 0.00 0.00 178.31 176.38 3mfn h ALA 58 N 1.02 -0.61 -0.37 2.41 0.00 -0.99 -2.21 119.26 118.52 3mfn h ALA 58 Ca 0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3mfn h ALA 58 Cb 0.09 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3mfn h ALA 58 CO -0.02 -0.88 0.16 -0.07 0.00 0.00 0.00 179.25 178.45 3mfn h LEU 59 N -0.61 0.49 -0.42 0.00 3.38 -1.21 -2.13 115.31 114.80 3mfn h LEU 59 Ca -0.01 -0.15 0.08 0.00 0.09 0.00 0.00 57.88 57.89 3mfn h LEU 59 Cb 0.56 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.12 3mfn h LEU 59 CO -0.06 0.50 0.01 0.44 0.09 0.00 0.00 178.44 179.42 3mfn h ASP 60 N 0.45 -0.15 -0.47 -0.43 3.32 -0.55 0.91 116.42 119.49 3mfn h ASP 60 Ca 0.12 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 3mfn h ASP 60 Cb 0.15 0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3mfn h ASP 60 CO -0.01 -0.04 0.26 0.45 -1.72 0.00 0.00 179.24 178.18 3mfn h HIS 61 N 0.12 0.65 -0.13 4.55 3.86 -1.22 -0.53 115.15 122.45 3mfn h HIS 61 Ca 0.21 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.45 3mfn h HIS 61 Cb 0.30 -0.21 -0.05 0.00 1.06 0.00 0.00 27.41 28.51 3mfn h HIS 61 CO -0.27 0.48 -0.16 -0.92 0.86 0.00 0.00 177.93 177.92 3mfn h TYR 62 N 0.63 -0.40 -0.00 2.45 -0.00 -0.63 -3.24 116.97 115.78 3mfn h TYR 62 Ca 0.17 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.92 3mfn h TYR 62 Cb 0.04 0.20 0.00 0.00 -0.00 0.00 0.00 36.73 36.97 3mfn h TYR 62 CO -0.02 -0.23 -0.39 1.19 -0.00 0.00 0.00 178.16 178.72 3mfn n PHE 63 N -5.30 0.00 -0.11 -3.82 3.72 0.22 -5.11 117.46 107.06 3mfn n PHE 63 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3mfn n PHE 63 Cb 0.22 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 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 1.48 0.56 0.00 1.37 0.00 -0.23 -5.07 105.19 103.29 3mfn n GLY 64 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3mfn n GLY 64 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3mfn n LYS 71 N -2.00 0.00 -2.31 1.61 3.00 -1.26 -4.80 118.16 112.41 3mfn n LYS 71 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.06 3mfn n LYS 71 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 35.03 35.12 3mfn n LYS 71 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 3mfn s ASP 72 N 0.00 4.59 0.35 3.14 -4.77 -1.26 -4.96 116.67 113.76 3mfn s ASP 72 Ca 0.00 0.21 0.03 0.00 -3.30 0.00 0.00 52.55 49.49 3mfn s ASP 72 Cb 0.00 -0.77 0.67 0.00 -1.09 0.00 0.00 42.92 41.73 3mfn s ASP 72 CO 0.00 -1.72 1.99 1.62 0.70 0.00 0.00 175.17 177.76 3mfn h VAL 73 N -0.61 1.11 0.00 2.11 3.04 -2.05 -1.32 116.25 118.53 3mfn h VAL 73 Ca -0.42 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 64.98 3mfn h VAL 73 Cb 1.29 0.20 0.00 0.00 -2.01 0.00 0.00 31.29 30.78 3mfn h VAL 73 CO 0.53 0.15 0.00 0.44 -1.01 0.00 0.00 177.57 177.68 3mfn h ASP 74 N 0.83 0.00 0.04 3.17 3.45 -1.99 -1.62 116.42 120.30 3mfn h ASP 74 Ca 0.27 0.00 -0.20 0.00 0.43 0.00 0.00 57.03 57.53 3mfn h ASP 74 Cb 0.05 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 38.84 3mfn h ASP 74 CO -0.07 0.00 -0.80 -0.25 -1.57 0.00 0.00 179.24 176.55 3mfn h TRP 75 N 0.00 0.74 -0.50 4.55 7.01 -1.61 -1.88 115.95 124.26 3mfn h TRP 75 Ca 0.00 -0.43 -0.11 0.00 2.11 0.00 0.00 58.89 60.47 3mfn h TRP 75 Cb 0.37 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.34 3mfn h TRP 75 CO 0.00 1.26 -0.11 1.88 -2.79 0.00 0.00 178.44 178.69 3mfn h TYR 76 N 0.00 1.06 0.22 2.65 0.05 -1.55 -2.85 116.97 116.55 3mfn h TYR 76 Ca -0.11 -0.22 -0.00 0.00 0.05 0.00 0.00 58.73 58.45 3mfn h TYR 76 Cb 1.51 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.98 3mfn h TYR 76 CO 0.14 1.01 -0.18 0.87 -1.05 0.00 0.00 178.16 178.96 3mfn h LYS 77 N 0.80 -0.39 -0.45 4.88 1.57 -1.35 0.72 116.57 122.35 3mfn h LYS 77 Ca 0.13 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.99 3mfn h LYS 77 Cb 0.66 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 33.01 3mfn h LYS 77 CO 0.05 -0.26 0.15 0.77 -0.57 0.00 0.00 179.45 179.58 3mfn h SER 78 N -0.41 0.14 -0.18 0.86 0.02 -1.36 0.22 113.55 112.84 3mfn h SER 78 Ca -0.01 0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 3mfn h SER 78 Cb 0.37 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 3mfn h SER 78 CO -0.02 0.11 -0.07 0.78 -1.14 0.00 0.00 176.83 176.50 3mfn h ASN 79 N 0.31 0.48 0.74 3.07 -0.26 -1.41 -2.79 115.58 115.71 3mfn h ASN 79 Ca 0.21 -0.11 -0.19 0.00 -0.56 0.00 0.00 56.30 55.66 3mfn h ASN 79 Cb 0.22 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.33 3mfn h ASN 79 CO -0.23 0.59 -0.88 -0.07 -1.06 0.00 0.00 177.43 175.79 3mfn h LEU 80 N 0.47 0.12 -1.01 1.61 3.38 0.00 -3.33 115.31 116.56 3mfn h LEU 80 Ca 0.10 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3mfn h LEU 80 Cb 0.41 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3mfn h LEU 80 CO 0.02 0.93 -0.22 0.00 0.09 0.00 0.00 178.44 179.27 3mfn h ALA 81 N 1.06 0.99 0.00 1.53 0.00 -0.33 -1.40 119.26 121.10 3mfn h ALA 81 Ca -0.03 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 3mfn h ALA 81 Cb 1.52 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 3mfn h ALA 81 CO 0.12 0.27 -0.52 1.96 0.00 0.00 0.00 179.25 181.09 3mfn h GLN 82 N 0.00 0.00 0.00 0.00 4.20 -1.63 -3.40 115.11 114.28 3mfn h GLN 82 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3mfn h GLN 82 Cb 0.78 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.56 3mfn h GLN 82 CO 0.03 0.52 -0.32 0.37 -0.67 0.00 0.00 178.83 178.75 3mfn h GLN 83 N 0.00 0.00 -0.58 1.46 5.75 -1.50 -3.49 115.11 116.76 3mfn h GLN 83 Ca -0.01 0.00 0.13 0.00 -0.15 0.00 0.00 58.65 58.62 3mfn h GLN 83 Cb 1.20 0.00 -0.20 0.00 1.07 0.00 0.00 27.48 29.55 3mfn h GLN 83 CO 0.07 0.05 -0.18 0.34 -2.65 0.00 0.00 178.83 176.45 3mfn s ASP 84 N -5.70 -0.94 0.28 -0.69 3.68 -0.60 -5.06 116.67 107.64 3mfn s ASP 84 Ca -0.09 0.06 -0.01 0.00 2.13 0.00 0.00 52.55 54.63 3mfn s ASP 84 Cb 0.01 1.56 0.64 0.00 -1.45 0.00 0.00 42.92 43.68 3mfn s ASP 84 CO 0.15 -0.17 1.60 0.50 0.13 0.00 0.00 175.17 177.39 3mfn h LYS 85 N 7.44 0.07 -0.36 4.34 3.64 -1.84 -1.03 116.57 128.83 3mfn h LYS 85 Ca -0.05 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 3mfn h LYS 85 Cb 1.18 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 3mfn h LYS 85 CO 0.01 0.05 0.01 -0.22 -2.27 0.00 0.00 179.45 177.03 3mfn h LYS 86 N 0.07 0.55 0.02 1.90 3.64 -1.97 -0.93 116.57 119.86 3mfn h LYS 86 Ca 0.53 -0.12 -0.21 0.00 -1.27 0.00 0.00 60.65 59.59 3mfn h LYS 86 Cb 1.04 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 3mfn h LYS 86 CO -0.80 0.57 -0.95 0.82 -2.27 0.00 0.00 179.45 176.82 3mfn h ILE 87 N 0.53 1.56 0.09 2.00 1.08 -1.61 -1.04 117.51 120.11 3mfn h ILE 87 Ca 0.11 -2.89 0.02 0.00 -0.39 0.00 0.00 64.86 61.72 3mfn h ILE 87 Cb 0.33 2.62 -0.05 0.00 -3.07 0.00 0.00 36.82 36.66 3mfn h ILE 87 CO 0.01 0.83 -0.39 0.25 -0.69 0.00 0.00 178.15 178.16 3mfn h LEU 88 N 0.06 -1.16 -1.20 1.44 5.85 -0.62 0.10 115.31 119.78 3mfn h LEU 88 Ca -0.04 0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 3mfn h LEU 88 Cb 1.62 0.44 -0.02 0.00 0.37 0.00 0.00 40.66 43.08 3mfn h LEU 88 CO 0.14 -0.46 -0.07 0.78 -0.34 0.00 0.00 178.44 178.49 3mfn h ASN 89 N -0.60 0.45 -0.53 1.25 -0.26 -1.09 -0.56 115.58 114.23 3mfn h ASN 89 Ca 0.03 -0.10 -0.03 0.00 -0.56 0.00 0.00 56.30 55.64 3mfn h ASN 89 Cb 0.65 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.77 3mfn h ASN 89 CO -0.25 0.57 0.20 0.74 -1.06 0.00 0.00 177.43 177.63 3mfn h THR 90 N 0.45 1.22 -0.47 2.81 2.02 -0.96 -2.02 112.91 115.96 3mfn h THR 90 Ca 0.09 -0.71 -0.05 0.00 0.77 0.00 0.00 66.41 66.52 3mfn h THR 90 Cb 0.40 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 3mfn h THR 90 CO 0.02 0.27 0.11 0.15 0.37 0.00 0.00 175.52 176.44 3mfn h PHE 91 N 0.72 0.80 -0.85 3.16 3.57 -0.07 -1.00 116.94 123.27 3mfn h PHE 91 Ca 0.18 -0.10 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 3mfn h PHE 91 Cb 0.22 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 3mfn h PHE 91 CO 0.01 0.73 0.53 0.28 -2.23 0.00 0.00 178.31 177.62 3mfn h VAL 92 N 0.64 1.23 -0.66 1.41 2.07 -0.99 0.17 116.25 120.12 3mfn h VAL 92 Ca 0.15 -0.48 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 3mfn h VAL 92 Cb 0.33 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 3mfn h VAL 92 CO 0.00 0.24 0.11 -1.28 0.02 0.00 0.00 177.57 176.66 3mfn h SER 93 N 1.17 1.05 -0.78 0.57 0.87 -0.97 -0.81 113.55 114.65 3mfn h SER 93 Ca 0.31 -0.26 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 3mfn h SER 93 Cb -0.08 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 61.57 3mfn h SER 93 CO -0.06 1.05 0.40 0.58 -0.53 0.00 0.00 176.83 178.27 3mfn h VAL 94 N 1.02 1.24 -0.75 2.23 2.07 0.08 0.18 116.25 122.32 3mfn h VAL 94 Ca 0.20 -0.64 0.03 0.00 0.82 0.00 0.00 66.70 67.12 3mfn h VAL 94 Cb 0.44 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 3mfn h VAL 94 CO 0.01 0.28 0.47 0.22 0.02 0.00 0.00 177.57 178.57 3mfn h TYR 95 N 1.09 0.89 -0.03 1.57 3.20 -0.23 0.83 116.97 124.29 3mfn h TYR 95 Ca 0.27 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.15 3mfn h TYR 95 Cb 0.07 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.05 3mfn h TYR 95 CO 0.01 0.51 -0.06 0.93 -1.64 0.00 0.00 178.16 177.91 3mfn h GLU 96 N 0.93 0.09 0.11 1.82 4.39 -0.02 -2.15 114.58 119.74 3mfn h GLU 96 Ca 0.30 -0.06 -0.27 0.00 0.34 0.00 0.00 59.36 59.67 3mfn h GLU 96 Cb 0.02 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3mfn h GLU 96 CO -0.11 0.63 -1.19 1.96 -1.16 0.00 0.00 179.01 179.14 3mfn h GLN 97 N -0.44 0.41 0.01 2.33 1.08 -0.55 0.69 115.11 118.64 3mfn h GLN 97 Ca 0.00 -0.58 -0.38 0.00 -1.45 0.00 0.00 58.65 56.24 3mfn h GLN 97 Cb 0.63 0.20 -0.06 0.00 -0.05 0.00 0.00 27.48 28.20 3mfn h GLN 97 CO 0.01 1.24 -2.08 1.28 -0.95 0.00 0.00 178.83 178.33 3mfn n LEU 98 N -3.66 2.03 -0.00 1.46 4.32 0.27 -3.91 117.00 117.50 3mfn n LEU 98 Ca -0.10 0.33 -0.14 0.00 -0.02 0.00 0.00 56.01 56.08 3mfn n LEU 98 Cb 0.97 -0.89 -0.03 0.00 -1.62 0.00 0.00 43.42 41.86 3mfn n LEU 98 CO 0.55 0.51 0.32 -0.74 -1.22 0.00 0.00 177.39 176.81 3mfn h HIS 99 N -0.88 0.90 0.00 -1.77 2.76 -1.51 -0.07 115.15 114.58 3mfn h HIS 99 Ca -0.56 -0.38 0.00 0.00 -2.20 0.00 0.00 60.37 57.22 3mfn h HIS 99 Cb 1.55 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 30.37 3mfn h HIS 99 CO -0.01 1.19 -0.55 1.28 -1.30 0.00 0.00 177.93 178.54 3mfn n LEU 100 N -3.92 1.21 0.00 0.26 4.77 -0.83 -2.75 117.00 115.74 3mfn n LEU 100 Ca -0.06 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 3mfn n LEU 100 Cb 0.71 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3mfn n LEU 100 CO 0.51 -0.41 0.20 0.52 -1.33 0.00 0.00 177.39 176.88 3mfn n VAL 101 N -3.70 0.00 0.00 4.08 0.31 0.21 -1.02 118.33 118.21 3mfn n VAL 101 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 3mfn n VAL 101 Cb 0.28 -1.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.21 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 -0.89 0.00 -0.13 3.52 0.00 -0.04 -1.71 120.51 121.26 3mfn n ALA 103 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 3mfn n ALA 103 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 3mfn n ALA 103 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3mfn n TYR 104 N -0.20 0.08 0.12 0.00 9.36 -0.85 -4.64 117.16 121.03 3mfn n TYR 104 Ca 0.00 0.03 0.11 0.00 3.32 0.00 0.00 57.90 61.36 3mfn n TYR 104 Cb 0.00 -1.01 0.02 0.00 -0.63 0.00 0.00 39.34 37.72 3mfn n TYR 104 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3mfn h ASP 105 N -0.56 0.00 -0.55 2.98 3.32 -1.03 -3.48 116.42 117.11 3mfn h ASP 105 Ca -0.63 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.28 3mfn h ASP 105 Cb 1.74 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 41.25 3mfn h ASP 105 CO -0.27 0.02 -0.14 0.61 -1.72 0.00 0.00 179.24 177.75 3mfn n GLY 106 N 1.18 0.59 3.62 2.75 0.00 -0.81 -5.01 105.19 107.50 3mfn n GLY 106 Ca 0.00 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.27 5.14 -0.54 1.61 1.01 -0.69 -4.51 120.40 120.15 3mfn s VAL 107 Ca 0.00 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.14 3mfn s VAL 107 Cb 0.00 -3.40 0.19 0.00 0.00 0.00 0.00 36.38 33.18 3mfn s VAL 107 CO 0.00 0.34 0.48 0.61 0.00 0.00 0.00 175.10 176.53 3mfn n GLY 108 N 4.40 3.26 3.60 4.51 0.00 -1.26 -4.94 105.19 114.76 3mfn n GLY 108 Ca -0.15 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.45 3mfn n GLY 108 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3mfn s ASP 109 N -1.02 6.13 0.14 1.61 -1.08 -1.26 0.13 116.67 121.32 3mfn s ASP 109 Ca 0.32 1.05 -0.19 0.00 -0.52 0.00 0.00 52.55 53.20 3mfn s ASP 109 Cb 0.05 -2.53 -0.00 0.00 -1.46 0.00 0.00 42.92 38.97 3mfn s ASP 109 CO -0.15 -1.56 1.70 0.00 0.52 0.00 0.00 175.17 175.68 3mfn h ALA 110 N 11.71 0.16 -0.97 3.66 0.00 -1.06 0.30 119.26 133.06 3mfn h ALA 110 Ca -0.30 0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.78 3mfn h ALA 110 Cb 1.13 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 19.04 3mfn h ALA 110 CO 1.06 -0.47 0.61 0.93 0.00 0.00 0.00 179.25 181.38 3mfn h GLU 111 N 0.00 1.04 -0.15 0.00 5.08 -1.93 0.30 114.58 118.93 3mfn h GLU 111 Ca 0.12 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3mfn h GLU 111 Cb 0.18 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 3mfn h GLU 111 CO -0.25 0.69 -0.07 0.28 -1.00 0.00 0.00 179.01 178.66 3mfn h VAL 112 N 1.07 1.31 -0.73 3.13 2.07 -1.44 -2.56 116.25 119.10 3mfn h VAL 112 Ca 0.44 -1.09 0.09 0.00 0.82 0.00 0.00 66.70 66.96 3mfn h VAL 112 Cb 0.26 1.72 -0.07 0.00 -1.52 0.00 0.00 31.29 31.69 3mfn h VAL 112 CO -0.20 0.32 0.38 0.58 0.02 0.00 0.00 177.57 178.67 3mfn h VAL 113 N -0.02 0.87 -0.45 2.57 2.07 -0.11 -0.72 116.25 120.45 3mfn h VAL 113 Ca 0.03 -0.22 0.07 0.00 0.82 0.00 0.00 66.70 67.40 3mfn h VAL 113 Cb 0.53 0.17 -0.06 0.00 -1.52 0.00 0.00 31.29 30.40 3mfn h VAL 113 CO 0.02 0.12 0.10 0.50 0.02 0.00 0.00 177.57 178.33 3mfn h LYS 114 N 0.65 0.23 -0.52 1.57 3.64 -0.29 0.98 116.57 122.83 3mfn h LYS 114 Ca 0.35 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.70 3mfn h LYS 114 Cb 0.35 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 3mfn h LYS 114 CO -0.26 0.15 0.25 -0.07 -2.27 0.00 0.00 179.45 177.25 3mfn h LEU 115 N 0.24 0.68 -0.61 5.20 3.38 -0.83 -1.36 115.31 122.01 3mfn h LEU 115 Ca 0.22 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.09 3mfn h LEU 115 Cb 0.28 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3mfn h LEU 115 CO -0.28 0.62 0.37 1.23 0.09 0.00 0.00 178.44 180.47 3mfn h GLY 116 N 0.69 0.87 1.42 0.83 0.00 -0.23 -0.58 103.07 106.08 3mfn h GLY 116 Ca 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 3mfn h GLY 116 CO -0.02 0.23 0.28 0.74 0.00 0.00 0.00 176.54 177.77 3mfn h PHE 117 N 0.73 0.74 -0.43 5.60 -1.00 -0.57 -1.96 116.94 120.05 3mfn h PHE 117 Ca 0.24 -0.01 -0.12 0.00 2.81 0.00 0.00 57.97 60.89 3mfn h PHE 117 Cb 0.03 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 39.33 3mfn h PHE 117 CO -0.06 0.53 -0.23 1.96 -1.61 0.00 0.00 178.31 178.91 3mfn h GLN 118 N 0.76 0.88 -0.87 1.51 4.20 -0.01 -1.64 115.11 119.93 3mfn h GLN 118 Ca 0.19 -0.37 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 3mfn h GLN 118 Cb 0.05 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.76 3mfn h GLN 118 CO -0.03 1.01 0.47 0.00 -0.67 0.00 0.00 178.83 179.61 3mfn h ARG 119 N 0.76 1.23 -0.07 1.46 2.47 -0.76 -0.82 114.38 118.64 3mfn h ARG 119 Ca 0.10 -0.15 0.01 0.00 -1.26 0.00 0.00 59.98 58.68 3mfn h ARG 119 Cb 0.77 -0.24 -0.01 0.00 -1.65 0.00 0.00 29.97 28.84 3mfn h ARG 119 CO 0.06 0.91 -0.02 0.00 0.56 0.00 0.00 179.97 181.49 3mfn h ALA 120 N 1.25 0.05 -0.61 0.04 0.00 -1.00 -1.78 119.26 117.21 3mfn h ALA 120 Ca 0.31 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3mfn h ALA 120 Cb 0.05 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3mfn h ALA 120 CO -0.05 -0.49 0.38 0.93 0.00 0.00 0.00 179.25 180.03 3mfn h GLU 121 N 0.00 0.81 -0.52 0.00 4.39 -1.01 -1.55 114.58 116.70 3mfn h GLU 121 Ca 0.03 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 3mfn h GLU 121 Cb 0.05 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 3mfn h GLU 121 CO -0.07 0.55 0.10 0.82 -1.16 0.00 0.00 179.01 179.25 3mfn h ILE 122 N 0.83 1.23 -0.22 3.13 2.04 -0.62 -1.38 117.51 122.52 3mfn h ILE 122 Ca 0.22 -0.85 -0.19 0.00 1.00 0.00 0.00 64.86 65.04 3mfn h ILE 122 Cb -0.07 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 3mfn h ILE 122 CO -0.04 0.31 -0.62 0.40 0.00 0.00 0.00 178.15 178.19 3mfn h ILE 123 N 0.77 1.29 -0.13 -0.67 2.04 -0.46 -0.30 117.51 120.05 3mfn h ILE 123 Ca 0.17 -1.84 -0.03 0.00 1.00 0.00 0.00 64.86 64.16 3mfn h ILE 123 Cb 0.32 1.78 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 3mfn h ILE 123 CO 0.00 0.59 -0.02 0.40 0.00 0.00 0.00 178.15 179.11 3mfn h ILE 124 N 0.56 1.28 -0.66 -0.67 2.04 -1.27 -1.49 117.51 117.31 3mfn h ILE 124 Ca -0.01 -0.94 0.11 0.00 1.00 0.00 0.00 64.86 65.02 3mfn h ILE 124 Cb 1.22 1.65 -0.08 0.00 -0.74 0.00 0.00 36.82 38.87 3mfn h ILE 124 CO 0.13 0.27 0.25 0.44 0.00 0.00 0.00 178.15 179.24 3mfn h ASP 125 N -0.06 0.25 -0.26 1.72 3.32 -1.28 -0.87 116.42 119.24 3mfn h ASP 125 Ca 0.03 0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.22 3mfn h ASP 125 Cb 0.43 0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.01 3mfn h ASP 125 CO 0.01 0.13 0.00 -0.25 -1.72 0.00 0.00 179.24 177.41 3mfn h TRP 126 N 0.43 -0.01 -0.93 4.55 7.01 -0.79 -1.91 115.95 124.30 3mfn h TRP 126 Ca 0.34 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.39 3mfn h TRP 126 Cb 0.45 0.04 -0.05 0.00 -2.10 0.00 0.00 29.16 27.50 3mfn h TRP 126 CO -0.17 -0.04 0.61 0.28 -2.79 0.00 0.00 178.44 176.34 3mfn h VAL 127 N 0.08 1.18 -0.49 2.65 2.07 -0.38 -0.08 116.25 121.28 3mfn h VAL 127 Ca 0.12 -0.41 -0.12 0.00 0.82 0.00 0.00 66.70 67.12 3mfn h VAL 127 Cb 0.16 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 3mfn h VAL 127 CO -0.21 0.22 -0.14 -0.08 0.02 0.00 0.00 177.57 177.38 3mfn h GLU 128 N 1.19 0.96 0.00 1.57 4.81 -0.71 -2.77 114.58 119.64 3mfn h GLU 128 Ca 0.36 -0.38 -0.24 0.00 -0.13 0.00 0.00 59.36 58.97 3mfn h GLU 128 Cb -0.02 -0.05 0.02 0.00 0.63 0.00 0.00 28.75 29.33 3mfn h GLU 128 CO -0.10 1.05 -0.95 0.00 -0.73 0.00 0.00 179.01 178.27 3mfn h ARG 129 N 0.82 0.64 -0.51 1.92 3.08 -0.98 -2.75 114.38 116.60 3mfn h ARG 129 Ca 0.12 -0.69 0.11 0.00 0.07 0.00 0.00 59.98 59.59 3mfn h ARG 129 Cb 0.71 0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.93 3mfn h ARG 129 CO 0.05 1.28 0.35 0.00 -1.07 0.00 0.00 179.97 180.59 3mfn h ARG 130 N 0.28 0.20 0.01 0.04 2.47 -0.98 -2.59 114.38 113.81 3mfn h ARG 130 Ca -0.12 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.57 3mfn h ARG 130 Cb 1.62 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.90 3mfn h ARG 130 CO 0.19 0.13 -0.09 -0.07 0.56 0.00 0.00 179.97 180.69 3mfn h LEU 131 N 0.21 0.06 0.00 3.04 3.38 -1.50 -3.51 115.31 116.99 3mfn h LEU 131 Ca 0.24 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.30 3mfn h LEU 131 Cb 0.68 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3mfn h LEU 131 CO -0.04 0.97 0.00 0.00 0.09 0.00 0.00 178.44 179.45