#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mef n GLY 3 N 0.00 -0.92 3.94 0.23 0.00 -1.26 -4.95 105.19 102.23 3mef n GLY 3 Ca 0.00 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.33 3mef n GLY 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mef s LYS 4 N -3.40 3.45 0.05 1.61 3.01 -1.26 -4.70 119.74 118.49 3mef s LYS 4 Ca 0.68 -0.31 0.00 0.00 -1.01 0.00 0.00 55.97 55.33 3mef s LYS 4 Cb -0.31 -2.63 -0.03 0.00 -1.01 0.00 0.00 37.83 33.85 3mef s LYS 4 CO 0.55 0.08 -0.04 0.00 0.51 0.00 0.00 175.35 176.45 3mef s MET 5 N -4.38 0.54 0.56 1.68 0.23 -0.93 -4.99 119.30 112.01 3mef s MET 5 Ca 0.41 -0.98 -0.03 0.00 -1.03 0.00 0.00 55.69 54.07 3mef s MET 5 Cb -0.10 0.04 0.02 0.00 -1.53 0.00 0.00 34.83 33.26 3mef s MET 5 CO 0.37 -0.05 0.82 0.95 -2.03 0.00 0.00 175.02 175.08 3mef s THR 6 N -2.73 3.30 0.00 3.16 -4.23 -1.26 -1.24 115.64 112.65 3mef s THR 6 Ca -0.02 -0.34 0.00 0.00 -1.18 0.00 0.00 61.69 60.15 3mef s THR 6 Cb -0.01 -3.28 0.00 0.00 1.34 0.00 0.00 72.50 70.55 3mef s THR 6 CO -0.05 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 3mef n GLY 7 N -2.44 3.22 3.95 3.99 0.00 0.16 -4.24 105.19 109.83 3mef n GLY 7 Ca 0.05 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 3mef n GLY 7 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mef s ILE 8 N -0.55 3.88 -0.19 -0.61 -4.36 -0.63 -0.86 121.20 117.88 3mef s ILE 8 Ca 0.00 -0.39 -0.07 0.00 -0.26 0.00 0.00 60.65 59.92 3mef s ILE 8 Cb 0.00 -3.46 -0.04 0.00 1.25 0.00 0.00 42.46 40.21 3mef s ILE 8 CO 0.00 -0.35 0.06 0.54 0.24 0.00 0.00 174.94 175.42 3mef s VAL 9 N -2.65 4.69 -0.22 8.37 0.11 0.10 -1.23 120.40 129.58 3mef s VAL 9 Ca 0.50 -0.07 0.03 0.00 -2.93 0.00 0.00 61.98 59.52 3mef s VAL 9 Cb -0.10 -3.12 -0.15 0.00 -1.53 0.00 0.00 36.38 31.48 3mef s VAL 9 CO 0.39 0.45 -0.16 0.29 -3.33 0.00 0.00 175.10 172.74 3mef n LYS 10 N 3.66 0.64 -4.80 1.54 5.02 -1.25 0.47 118.16 123.43 3mef n LYS 10 Ca -0.17 0.11 -0.26 0.00 -2.02 0.00 0.00 58.31 55.98 3mef n LYS 10 Cb 0.52 -1.44 -0.16 0.00 -0.02 0.00 0.00 35.03 33.93 3mef n LYS 10 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3mef s TRP 11 N -2.44 1.64 -0.01 2.13 0.52 -1.13 -4.41 118.94 115.24 3mef s TRP 11 Ca -0.27 -0.45 -0.20 0.00 0.02 0.00 0.00 56.10 55.20 3mef s TRP 11 Cb 0.07 -1.10 0.04 0.00 -1.15 0.00 0.00 33.47 31.33 3mef s TRP 11 CO 0.54 -0.15 0.44 0.12 0.02 0.00 0.00 176.95 177.92 3mef s PHE 12 N -0.00 -0.34 -0.43 -1.98 5.36 -1.26 0.29 117.98 119.62 3mef s PHE 12 Ca -0.03 0.49 0.07 0.00 -0.96 0.00 0.00 56.93 56.51 3mef s PHE 12 Cb -0.11 0.22 0.18 0.00 -0.34 0.00 0.00 43.02 42.97 3mef s PHE 12 CO 0.02 -0.50 0.67 -0.80 -1.46 0.00 0.00 175.22 173.14 3mef s ASN 13 N -1.48 -1.48 -1.07 6.13 0.01 -0.90 -4.87 114.94 111.28 3mef s ASN 13 Ca -0.11 -0.99 -0.02 0.00 -0.71 0.00 0.00 52.86 51.03 3mef s ASN 13 Cb -0.03 1.91 0.28 0.00 0.41 0.00 0.00 41.25 43.83 3mef s ASN 13 CO 0.04 -0.14 1.95 0.00 -1.51 0.00 0.00 177.10 177.44 3mef n ALA 14 N 4.04 6.24 0.00 0.60 0.00 -1.26 -1.89 120.51 128.23 3mef n ALA 14 Ca 0.13 -4.48 0.00 0.00 0.00 0.00 0.00 53.44 49.08 3mef n ALA 14 Cb 0.57 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.73 3mef n ALA 14 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3mef n ASP 15 N 0.26 0.00 -0.11 0.00 5.75 -1.26 -4.98 116.55 116.20 3mef n ASP 15 Ca 0.50 0.00 -0.24 0.00 -0.01 0.00 0.00 54.79 55.04 3mef n ASP 15 Cb 0.26 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.24 3mef n ASP 15 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 3mef n LYS 16 N -0.82 0.57 0.00 0.11 2.85 -1.26 -5.05 118.16 114.57 3mef n LYS 16 Ca 0.00 0.48 0.00 0.00 -1.05 0.00 0.00 58.31 57.74 3mef n LYS 16 Cb 0.00 -1.67 0.00 0.00 -0.65 0.00 0.00 35.03 32.71 3mef n LYS 16 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3mef n GLY 17 N 1.38 -0.20 0.71 2.58 0.00 -1.22 -5.18 105.19 103.27 3mef n GLY 17 Ca -0.39 0.24 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 3mef n GLY 17 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3mef n PHE 18 N 0.00 -0.52 -4.47 1.61 1.16 -0.79 -4.69 117.46 109.76 3mef n PHE 18 Ca 0.00 -0.53 -0.23 0.00 -1.87 0.00 0.00 57.45 54.81 3mef n PHE 18 Cb 0.00 0.10 -0.10 0.00 -1.61 0.00 0.00 39.48 37.87 3mef n PHE 18 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 3mef s GLY 19 N -1.48 1.94 -0.23 4.97 0.00 -0.58 -2.11 107.32 109.84 3mef s GLY 19 Ca 0.07 -1.94 0.01 0.00 0.00 0.00 0.00 44.72 42.86 3mef s GLY 19 CO 0.05 -1.94 -0.08 -1.36 0.00 0.00 0.00 173.10 169.77 3mef s PHE 20 N -2.72 2.56 0.63 1.90 0.08 0.14 -1.55 117.98 119.03 3mef s PHE 20 Ca 0.30 -1.81 -0.07 0.00 0.12 0.00 0.00 56.93 55.46 3mef s PHE 20 Cb 0.00 -1.66 0.02 0.00 -0.57 0.00 0.00 43.02 40.81 3mef s PHE 20 CO 0.14 -0.79 0.96 0.42 -0.10 0.00 0.00 175.22 175.86 3mef s ILE 21 N 1.34 3.48 -0.01 0.64 1.09 0.13 -2.83 121.20 125.04 3mef s ILE 21 Ca -0.05 0.11 0.01 0.00 -1.10 0.00 0.00 60.65 59.62 3mef s ILE 21 Cb -0.18 -3.42 0.00 0.00 -1.06 0.00 0.00 42.46 37.80 3mef s ILE 21 CO -0.06 -0.47 -0.04 -0.89 -0.10 0.00 0.00 174.94 173.38 3mef s THR 22 N -3.11 0.34 0.00 2.92 2.01 -0.36 -0.07 115.64 117.36 3mef s THR 22 Ca 0.56 -0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.42 3mef s THR 22 Cb -0.11 -0.31 0.00 0.00 0.01 0.00 0.00 72.50 72.09 3mef s THR 22 CO 0.47 0.12 0.00 -0.81 -0.69 0.00 0.00 174.62 173.70 3mef n PRO 23 N 3.25 1.02 -0.33 4.92 -0.04 -1.26 -1.60 135.00 140.96 3mef n PRO 23 Ca -0.16 0.00 0.35 0.00 -0.04 0.00 0.00 63.50 63.65 3mef n PRO 23 Cb 0.56 0.00 0.66 0.00 -0.04 0.00 0.00 33.50 34.68 3mef n PRO 23 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 3mef h ASP 24 N 0.00 0.00 0.00 3.54 2.03 -1.95 -3.39 116.42 116.65 3mef h ASP 24 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3mef h ASP 24 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3mef h ASP 24 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 179.24 177.54 3mef n ASP 25 N -3.69 0.00 -2.56 4.15 2.03 -1.26 -5.00 116.55 110.21 3mef n ASP 25 Ca 0.27 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.44 3mef n ASP 25 Cb 1.47 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 41.90 3mef n ASP 25 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3mef n GLY 26 N 0.00 3.44 0.00 0.27 0.00 -1.26 -4.92 105.19 102.71 3mef n GLY 26 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.18 3mef n GLY 26 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3mef n SER 27 N -0.36 0.00 0.00 1.61 7.64 -1.26 -5.13 113.62 116.12 3mef n SER 27 Ca 0.21 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.09 3mef n SER 27 Cb 0.79 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.99 3mef n SER 27 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3mef n LYS 28 N -0.90 0.00 -2.23 1.43 5.02 -1.26 -5.08 118.16 115.14 3mef n LYS 28 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 3mef n LYS 28 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 3mef n LYS 28 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 3mef s ASP 29 N 0.00 6.91 -0.19 4.39 1.47 -1.26 -4.16 116.67 123.84 3mef s ASP 29 Ca 0.00 2.41 -0.06 0.00 1.18 0.00 0.00 52.55 56.08 3mef s ASP 29 Cb 0.00 -2.61 -0.03 0.00 -0.34 0.00 0.00 42.92 39.93 3mef s ASP 29 CO 0.00 -0.50 0.03 0.68 0.68 0.00 0.00 175.17 176.06 3mef s VAL 30 N -0.05 4.40 0.17 2.11 -7.23 0.90 -4.71 120.40 115.99 3mef s VAL 30 Ca 0.55 -0.17 -0.17 0.00 -1.81 0.00 0.00 61.98 60.38 3mef s VAL 30 Cb -0.36 -2.98 -0.07 0.00 0.56 0.00 0.00 36.38 33.52 3mef s VAL 30 CO 0.39 0.45 0.62 -0.36 -0.31 0.00 0.00 175.10 175.90 3mef s PHE 31 N 0.59 3.64 -0.03 2.82 0.40 -1.20 0.21 117.98 124.42 3mef s PHE 31 Ca 0.01 1.22 -0.30 0.00 -0.60 0.00 0.00 56.93 57.26 3mef s PHE 31 Cb -0.13 -2.48 0.07 0.00 0.51 0.00 0.00 43.02 40.98 3mef s PHE 31 CO 0.02 0.41 0.68 0.54 0.70 0.00 0.00 175.22 177.56 3mef s VAL 32 N -1.45 0.00 -0.45 -0.44 0.11 -0.59 -1.14 120.40 116.43 3mef s VAL 32 Ca 0.39 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.15 3mef s VAL 32 Cb -0.16 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.71 3mef s VAL 32 CO 0.20 0.00 1.15 -2.28 -3.33 0.00 0.00 175.10 170.84 3mef s HIS 33 N -1.48 2.83 0.00 1.54 2.46 -1.26 -1.52 115.29 117.86 3mef s HIS 33 Ca -0.09 0.79 0.00 0.00 0.47 0.00 0.00 55.06 56.22 3mef s HIS 33 Cb -0.00 -4.31 0.00 0.00 -0.13 0.00 0.00 32.58 28.14 3mef s HIS 33 CO 0.07 -1.25 0.00 1.19 -2.47 0.00 0.00 174.74 172.28 3mef n PHE 34 N 7.76 0.00 -1.45 3.88 3.72 -1.26 -3.13 117.46 126.98 3mef n PHE 34 Ca 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 3mef n PHE 34 Cb 0.49 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 3mef n PHE 34 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3mef n SER 35 N 0.29 -0.76 -4.05 4.37 2.88 -1.24 -4.13 113.62 110.98 3mef n SER 35 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 3mef n SER 35 Cb 0.00 -0.36 -0.04 0.00 -0.75 0.00 0.00 64.21 63.06 3mef n SER 35 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3mef n ALA 36 N -1.05 -2.11 -0.85 -1.46 0.00 -1.18 -3.71 120.51 110.14 3mef n ALA 36 Ca 0.00 -0.44 -0.26 0.00 0.00 0.00 0.00 53.44 52.74 3mef n ALA 36 Cb 0.36 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 3mef n ALA 36 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3mef n ILE 37 N -4.29 2.55 -1.51 0.00 -5.35 -1.26 -3.34 119.36 106.17 3mef n ILE 37 Ca -0.19 -1.59 -0.33 0.00 -0.27 0.00 0.00 62.75 60.36 3mef n ILE 37 Cb 0.54 -2.20 -0.16 0.00 -1.74 0.00 0.00 39.64 36.08 3mef n ILE 37 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3mef n GLN 38 N 4.49 0.12 -2.19 6.28 3.00 -1.26 -3.87 117.38 123.95 3mef n GLN 38 Ca 0.48 -0.05 -0.02 0.00 -0.01 0.00 0.00 57.00 57.41 3mef n GLN 38 Cb 0.17 -1.63 0.01 0.00 0.00 0.00 0.00 30.24 28.79 3mef n GLN 38 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 3mef n ASN 39 N 9.81 -0.66 0.00 1.08 2.85 -1.26 -4.92 115.26 122.16 3mef n ASN 39 Ca 0.63 -1.38 0.00 0.00 -0.11 0.00 0.00 54.58 53.72 3mef n ASN 39 Cb 0.13 1.08 0.00 0.00 1.24 0.00 0.00 39.78 42.24 3mef n ASN 39 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 3mef n ASP 40 N -0.93 0.00 -3.84 1.20 9.92 -1.26 -4.09 116.55 117.55 3mef n ASP 40 Ca -0.01 0.00 -0.39 0.00 -0.53 0.00 0.00 54.79 53.85 3mef n ASP 40 Cb 0.20 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.62 3mef n ASP 40 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3mef n GLY 41 N 0.29 1.87 3.47 0.44 0.00 -1.26 -4.35 105.19 105.65 3mef n GLY 41 Ca 0.00 -1.06 -0.19 0.00 0.00 0.00 0.00 46.02 44.77 3mef n GLY 41 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3mef n TYR 42 N 9.55 -0.70 0.00 1.61 0.18 -1.26 -4.51 117.16 122.03 3mef n TYR 42 Ca 0.48 0.35 0.00 0.00 1.88 0.00 0.00 57.90 60.61 3mef n TYR 42 Cb 0.42 -1.47 0.00 0.00 -0.38 0.00 0.00 39.34 37.91 3mef n TYR 42 CO 0.00 0.00 0.00 1.17 -2.08 0.00 0.00 176.86 175.95 3mef n LYS 43 N -2.92 0.00 -3.61 -3.48 3.00 -1.25 -4.86 118.16 105.03 3mef n LYS 43 Ca -0.13 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.14 3mef n LYS 43 Cb 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.38 3mef n LYS 43 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 3mef s SER 44 N -0.80 -0.19 0.01 3.14 0.01 -1.26 -5.04 113.70 109.57 3mef s SER 44 Ca 0.00 -0.12 0.02 0.00 1.31 0.00 0.00 55.95 57.16 3mef s SER 44 Cb 0.00 0.29 -0.01 0.00 0.21 0.00 0.00 66.02 66.51 3mef s SER 44 CO 0.00 -0.50 -0.07 -0.76 0.41 0.00 0.00 173.24 172.32 3mef s LEU 45 N -2.61 2.08 -0.23 2.44 1.43 -1.26 -5.04 118.68 115.49 3mef s LEU 45 Ca 0.10 -0.24 0.12 0.00 -1.03 0.00 0.00 54.13 53.08 3mef s LEU 45 Cb 0.00 -0.30 0.44 0.00 0.03 0.00 0.00 46.19 46.36 3mef s LEU 45 CO -0.04 0.01 1.32 -0.90 0.23 0.00 0.00 176.35 176.96 3mef n ASP 46 N 2.51 2.24 -4.13 2.29 5.68 -1.26 -4.98 116.55 118.90 3mef n ASP 46 Ca -0.16 -3.69 -0.34 0.00 -0.50 0.00 0.00 54.79 50.11 3mef n ASP 46 Cb 0.57 -0.56 -0.04 0.00 -1.14 0.00 0.00 41.12 39.95 3mef n ASP 46 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3mef n GLU 47 N -1.12 -1.24 0.00 0.11 0.28 -1.26 -4.77 120.64 112.64 3mef n GLU 47 Ca 0.24 0.17 0.00 0.00 -0.16 0.00 0.00 57.16 57.42 3mef n GLU 47 Cb 0.83 -3.53 0.00 0.00 1.43 0.00 0.00 31.44 30.17 3mef n GLU 47 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3mef n GLY 48 N -2.27 -1.62 3.26 -1.84 0.00 0.18 -4.60 105.19 98.30 3mef n GLY 48 Ca -0.25 0.63 -0.13 0.00 0.00 0.00 0.00 46.02 46.27 3mef n GLY 48 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3mef s GLN 49 N 0.00 0.54 0.09 1.61 -2.07 -1.11 -4.93 119.66 113.79 3mef s GLN 49 Ca 0.00 0.25 -0.30 0.00 -1.82 0.00 0.00 55.36 53.49 3mef s GLN 49 Cb 0.00 0.25 -0.05 0.00 -1.09 0.00 0.00 33.01 32.12 3mef s GLN 49 CO 0.00 -0.11 1.01 0.21 -1.32 0.00 0.00 175.29 175.08 3mef s LYS 50 N -0.40 4.63 0.20 9.60 2.20 -1.26 0.00 119.74 134.71 3mef s LYS 50 Ca -0.05 1.52 -0.03 0.00 -0.36 0.00 0.00 55.97 57.05 3mef s LYS 50 Cb -0.03 -3.38 0.01 0.00 -1.51 0.00 0.00 37.83 32.92 3mef s LYS 50 CO 0.02 0.09 0.31 1.33 -0.36 0.00 0.00 175.35 176.74 3mef n VAL 51 N 3.08 0.00 -4.44 4.02 0.24 -0.04 -1.25 118.33 119.93 3mef n VAL 51 Ca 0.04 -0.91 -0.22 0.00 -2.04 0.00 0.00 64.34 61.21 3mef n VAL 51 Cb 0.49 0.60 -0.09 0.00 -1.47 0.00 0.00 33.84 33.37 3mef n VAL 51 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3mef s SER 52 N -2.21 2.23 0.32 -1.34 0.01 -0.49 0.37 113.70 112.59 3mef s SER 52 Ca 0.15 -1.52 -0.10 0.00 1.31 0.00 0.00 55.95 55.79 3mef s SER 52 Cb -0.01 0.25 0.01 0.00 0.21 0.00 0.00 66.02 66.48 3mef s SER 52 CO 0.11 -0.79 0.56 0.72 0.41 0.00 0.00 173.24 174.25 3mef s PHE 53 N -3.38 0.56 -0.19 2.43 -0.71 -0.37 -2.37 117.98 113.95 3mef s PHE 53 Ca 0.32 -0.95 0.13 0.00 -1.04 0.00 0.00 56.93 55.38 3mef s PHE 53 Cb 0.06 0.26 0.41 0.00 -1.21 0.00 0.00 43.02 42.54 3mef s PHE 53 CO 0.15 -1.20 1.21 -2.37 -1.34 0.00 0.00 175.22 171.67 3mef n THR 54 N -0.49 2.01 -1.43 -4.49 5.66 -0.16 -2.19 114.28 113.19 3mef n THR 54 Ca -0.02 -3.00 0.17 0.00 -3.05 0.00 0.00 64.05 58.15 3mef n THR 54 Cb 0.61 -0.14 -0.10 0.00 -1.55 0.00 0.00 70.33 69.16 3mef n THR 54 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 3mef n ILE 55 N -1.01 -0.93 -3.65 1.09 5.41 -1.26 -4.84 119.36 114.17 3mef n ILE 55 Ca 0.18 0.94 0.04 0.00 1.00 0.00 0.00 62.75 64.91 3mef n ILE 55 Cb 0.72 -1.42 0.00 0.00 -0.71 0.00 0.00 39.64 38.23 3mef n ILE 55 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 3mef s GLU 56 N -4.28 0.08 -0.18 0.38 0.41 -0.66 -4.12 118.70 110.33 3mef s GLU 56 Ca 0.00 -0.04 -0.12 0.00 -0.41 0.00 0.00 54.97 54.40 3mef s GLU 56 Cb 0.00 0.03 0.05 0.00 -1.78 0.00 0.00 34.13 32.43 3mef s GLU 56 CO 0.00 -0.04 0.44 0.45 -0.49 0.00 0.00 175.26 175.62 3mef s SER 57 N -3.17 -0.53 0.00 -0.19 0.15 -1.23 -2.46 113.70 106.27 3mef s SER 57 Ca 0.18 0.93 0.00 0.00 0.70 0.00 0.00 55.95 57.76 3mef s SER 57 Cb 0.06 0.86 0.00 0.00 -1.71 0.00 0.00 66.02 65.23 3mef s SER 57 CO -0.06 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.81 3mef n GLY 58 N 3.78 0.88 0.43 9.45 0.00 -1.14 -4.59 105.19 114.00 3mef n GLY 58 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3mef n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mef n ALA 59 N -3.00 2.21 -3.13 4.61 0.00 -1.26 -4.91 120.51 115.03 3mef n ALA 59 Ca 0.00 -0.01 -0.44 0.00 0.00 0.00 0.00 53.44 52.99 3mef n ALA 59 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3mef n ALA 59 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3mef n LYS 60 N -1.75 3.86 0.00 0.00 4.81 -1.26 -4.91 118.16 118.91 3mef n LYS 60 Ca 0.00 -4.39 0.00 0.00 -0.87 0.00 0.00 58.31 53.05 3mef n LYS 60 Cb 0.00 -2.60 0.00 0.00 0.02 0.00 0.00 35.03 32.45 3mef n LYS 60 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3mef n GLY 61 N 2.33 3.38 3.72 3.14 0.00 -1.26 -5.07 105.19 111.44 3mef n GLY 61 Ca 0.27 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 3mef n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mef s PRO 62 N -3.62 4.50 0.50 1.61 0.04 -1.26 -2.89 135.00 133.88 3mef s PRO 62 Ca 0.00 1.74 0.03 0.00 0.04 0.00 0.00 61.00 62.81 3mef s PRO 62 Cb 0.00 -3.32 0.02 0.00 0.04 0.00 0.00 34.50 31.24 3mef s PRO 62 CO 0.00 -0.12 0.70 0.00 0.04 0.00 0.00 177.00 177.62 3mef s ALA 63 N 0.55 4.06 0.46 8.56 0.00 -1.03 -3.22 121.76 131.14 3mef s ALA 63 Ca 0.55 -1.40 0.07 0.00 0.00 0.00 0.00 51.96 51.18 3mef s ALA 63 Cb -0.29 -1.95 -0.01 0.00 0.00 0.00 0.00 23.12 20.87 3mef s ALA 63 CO 0.32 -0.57 0.33 0.00 0.00 0.00 0.00 175.76 175.83 3mef s ALA 64 N -2.62 4.04 -0.08 0.00 0.00 -0.30 -1.66 121.76 121.15 3mef s ALA 64 Ca 0.56 -1.75 -0.30 0.00 0.00 0.00 0.00 51.96 50.47 3mef s ALA 64 Cb -0.10 -0.73 0.10 0.00 0.00 0.00 0.00 23.12 22.39 3mef s ALA 64 CO 0.37 -0.28 0.87 0.20 0.00 0.00 0.00 175.76 176.92 3mef s GLY 65 N -4.11 -0.41 -1.38 0.00 0.00 -1.26 -4.77 107.32 95.38 3mef s GLY 65 Ca 0.41 1.52 -0.10 0.00 0.00 0.00 0.00 44.72 46.55 3mef s GLY 65 CO 0.24 0.79 0.38 -2.01 0.00 0.00 0.00 173.10 172.50 3mef n ASN 66 N 0.47 -1.30 -4.48 1.64 2.85 -1.26 -0.99 115.26 112.19 3mef n ASN 66 Ca -0.12 -1.16 -0.43 0.00 -0.11 0.00 0.00 54.58 52.76 3mef n ASN 66 Cb 0.59 -2.30 -0.04 0.00 1.24 0.00 0.00 39.78 39.27 3mef n ASN 66 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3mef s VAL 67 N -3.96 4.18 -0.20 3.44 1.01 -1.21 -4.13 120.40 119.53 3mef s VAL 67 Ca 0.16 -0.18 -0.22 0.00 0.00 0.00 0.00 61.98 61.75 3mef s VAL 67 Cb -0.08 -4.74 -0.02 0.00 0.00 0.00 0.00 36.38 31.54 3mef s VAL 67 CO 0.94 -1.55 0.67 0.28 0.00 0.00 0.00 175.10 175.44 3mef s THR 68 N 4.46 4.98 0.21 3.92 -1.32 -1.00 -4.01 115.64 122.88 3mef s THR 68 Ca 0.25 1.27 -0.30 0.00 -1.21 0.00 0.00 61.69 61.70 3mef s THR 68 Cb -0.15 -3.98 -0.08 0.00 -1.51 0.00 0.00 72.50 66.78 3mef s THR 68 CO 0.11 0.07 1.13 -0.94 -2.21 0.00 0.00 174.62 172.78 3mef s SER 69 N 1.24 7.22 0.00 8.08 1.04 -1.26 -1.39 113.70 128.62 3mef s SER 69 Ca 0.30 2.18 0.03 0.00 0.48 0.00 0.00 55.95 58.95 3mef s SER 69 Cb -0.16 -2.61 0.03 0.00 0.10 0.00 0.00 66.02 63.38 3mef s SER 69 CO 0.10 -0.24 0.61 0.18 0.98 0.00 0.00 173.24 174.87