#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 3.16 3.67 0.23 0.00 -1.26 -5.14 105.19 105.86 3mef n GLY 3 Ca 0.00 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 2.44 0.01 1.61 3.01 -1.26 -4.86 119.74 120.69 3mef s LYS 4 Ca 0.00 -1.13 -0.01 0.00 -1.01 0.00 0.00 55.97 53.82 3mef s LYS 4 Cb 0.00 -2.35 -0.01 0.00 -1.01 0.00 0.00 37.83 34.45 3mef s LYS 4 CO 0.00 0.44 -0.01 0.00 0.51 0.00 0.00 175.35 176.29 3mef s MET 5 N -3.09 0.26 0.49 1.68 0.23 -0.95 -5.00 119.30 112.93 3mef s MET 5 Ca 0.28 -0.47 -0.24 0.00 -1.03 0.00 0.00 55.69 54.24 3mef s MET 5 Cb -0.09 0.10 -0.07 0.00 -1.53 0.00 0.00 34.83 33.24 3mef s MET 5 CO 0.19 -0.05 1.40 0.25 -2.03 0.00 0.00 175.02 174.79 3mef n THR 6 N 1.89 3.27 -3.36 3.16 -2.24 -1.26 -0.27 114.28 115.46 3mef n THR 6 Ca -0.21 -0.50 0.02 0.00 -2.27 0.00 0.00 64.05 61.09 3mef n THR 6 Cb 0.56 -1.77 -0.05 0.00 -2.10 0.00 0.00 70.33 66.97 3mef n THR 6 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3mef s GLY 7 N -0.66 0.17 -0.15 3.38 0.00 0.17 -4.32 107.32 105.92 3mef s GLY 7 Ca 0.66 3.46 -0.09 0.00 0.00 0.00 0.00 44.72 48.75 3mef s GLY 7 CO 0.54 3.17 0.17 -0.26 0.00 0.00 0.00 173.10 176.73 3mef s ILE 8 N 1.95 5.41 0.03 0.90 -4.36 -0.64 -1.46 121.20 123.03 3mef s ILE 8 Ca -0.03 0.29 -0.30 0.00 -0.26 0.00 0.00 60.65 60.35 3mef s ILE 8 Cb -0.03 -3.48 -0.05 0.00 1.25 0.00 0.00 42.46 40.16 3mef s ILE 8 CO -0.15 0.52 1.19 0.54 0.24 0.00 0.00 174.94 177.28 3mef s VAL 9 N -0.34 4.13 0.00 8.37 0.11 0.20 -1.52 120.40 131.35 3mef s VAL 9 Ca 0.13 1.51 0.00 0.00 -2.93 0.00 0.00 61.98 60.70 3mef s VAL 9 Cb -0.12 -3.97 0.00 0.00 -1.53 0.00 0.00 36.38 30.76 3mef s VAL 9 CO 0.02 0.09 0.00 0.29 -3.33 0.00 0.00 175.10 172.17 3mef n LYS 10 N 4.25 0.00 -4.28 1.54 4.76 -1.13 -1.55 118.16 121.74 3mef n LYS 10 Ca 0.09 0.02 -0.15 0.00 -2.87 0.00 0.00 58.31 55.40 3mef n LYS 10 Cb 0.47 -0.33 -0.10 0.00 -1.84 0.00 0.00 35.03 33.23 3mef n LYS 10 CO 0.00 0.00 0.00 1.67 -1.37 0.00 0.00 177.40 177.70 3mef s TRP 11 N -0.07 1.43 -0.30 2.13 1.48 -1.06 -3.22 118.94 119.33 3mef s TRP 11 Ca 0.00 -1.27 -0.17 0.00 -1.06 0.00 0.00 56.10 53.60 3mef s TRP 11 Cb 0.00 -0.79 0.18 0.00 -1.16 0.00 0.00 33.47 31.70 3mef s TRP 11 CO 0.00 -0.46 1.19 -0.59 -4.06 0.00 0.00 176.95 173.03 3mef s PHE 12 N -3.86 -0.25 -0.28 1.66 -0.12 -1.26 -0.52 117.98 113.35 3mef s PHE 12 Ca 0.38 0.34 -0.27 0.00 -0.05 0.00 0.00 56.93 57.32 3mef s PHE 12 Cb 0.07 0.11 0.01 0.00 -0.63 0.00 0.00 43.02 42.59 3mef s PHE 12 CO 0.14 -0.13 0.98 -0.80 -0.05 0.00 0.00 175.22 175.36 3mef s ASN 13 N 2.59 6.92 -0.09 1.98 0.01 0.31 -4.90 114.94 121.76 3mef s ASN 13 Ca -0.04 1.08 0.16 0.00 -0.71 0.00 0.00 52.86 53.36 3mef s ASN 13 Cb -0.06 -2.50 0.64 0.00 0.41 0.00 0.00 41.25 39.74 3mef s ASN 13 CO -0.12 -0.72 1.53 0.00 -1.51 0.00 0.00 177.10 176.27 3mef n ALA 14 N 6.48 2.99 -0.09 0.60 0.00 -1.26 -1.51 120.51 127.72 3mef n ALA 14 Ca 0.10 -1.38 -0.17 0.00 0.00 0.00 0.00 53.44 51.99 3mef n ALA 14 Cb 0.47 -1.02 -0.07 0.00 0.00 0.00 0.00 19.45 18.83 3mef n ALA 14 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3mef n ASP 15 N 1.02 1.87 0.07 0.00 -0.08 -1.26 -4.67 116.55 113.50 3mef n ASP 15 Ca 0.23 0.09 -0.19 0.00 -1.51 0.00 0.00 54.79 53.41 3mef n ASP 15 Cb 0.79 -0.44 -0.14 0.00 2.34 0.00 0.00 41.12 43.67 3mef n ASP 15 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 3mef h LYS 16 N -0.39 0.30 0.00 -0.67 2.10 -2.00 -3.49 116.57 112.42 3mef h LYS 16 Ca -0.44 -0.51 0.00 0.00 -2.00 0.00 0.00 60.65 57.70 3mef h LYS 16 Cb 1.50 0.19 0.00 0.00 -0.90 0.00 0.00 32.23 33.02 3mef h LYS 16 CO -0.19 1.18 0.00 0.41 -2.00 0.00 0.00 179.45 178.84 3mef n GLY 17 N 1.72 0.75 3.53 0.07 0.00 -1.17 -5.15 105.19 104.95 3mef n GLY 17 Ca -0.19 -0.73 -0.17 0.00 0.00 0.00 0.00 46.02 44.93 3mef n GLY 17 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mef s PHE 18 N -1.31 -0.63 0.06 1.61 0.08 -0.57 -5.04 117.98 112.18 3mef s PHE 18 Ca 0.00 1.11 0.01 0.00 0.12 0.00 0.00 56.93 58.17 3mef s PHE 18 Cb 0.00 0.41 -0.03 0.00 -0.57 0.00 0.00 43.02 42.83 3mef s PHE 18 CO 0.00 -0.56 -0.05 0.20 -0.10 0.00 0.00 175.22 174.70 3mef s GLY 19 N -1.09 0.53 -0.07 4.36 0.00 0.21 -0.53 107.32 110.73 3mef s GLY 19 Ca -0.09 -1.01 -0.03 0.00 0.00 0.00 0.00 44.72 43.59 3mef s GLY 19 CO 0.08 -1.10 0.14 -1.36 0.00 0.00 0.00 173.10 170.87 3mef s PHE 20 N -2.65 -0.14 0.06 1.90 0.40 0.32 -1.26 117.98 116.61 3mef s PHE 20 Ca -0.01 0.52 0.09 0.00 -0.60 0.00 0.00 56.93 56.93 3mef s PHE 20 Cb -0.01 -0.23 -0.03 0.00 0.51 0.00 0.00 43.02 43.26 3mef s PHE 20 CO -0.04 -0.22 -0.24 0.42 0.70 0.00 0.00 175.22 175.84 3mef s ILE 21 N 1.88 2.39 -0.01 0.64 1.01 -0.52 -2.58 121.20 124.02 3mef s ILE 21 Ca -0.01 -1.40 0.04 0.00 0.00 0.00 0.00 60.65 59.28 3mef s ILE 21 Cb -0.12 -1.99 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 3mef s ILE 21 CO -0.05 0.29 -0.12 0.28 0.00 0.00 0.00 174.94 175.34 3mef s THR 22 N -0.91 3.26 0.00 2.92 -1.32 -0.58 0.40 115.64 119.42 3mef s THR 22 Ca 0.13 -0.83 0.00 0.00 -1.21 0.00 0.00 61.69 59.79 3mef s THR 22 Cb -0.10 -2.36 0.00 0.00 -1.51 0.00 0.00 72.50 68.53 3mef s THR 22 CO 0.04 0.46 0.00 -0.81 -2.21 0.00 0.00 174.62 172.10 3mef n PRO 23 N 1.86 0.96 0.00 7.08 -0.04 -1.26 -1.61 135.00 141.98 3mef n PRO 23 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 3mef n PRO 23 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 3mef n PRO 23 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3mef n ASP 24 N -0.08 2.36 -0.07 3.54 9.92 -1.26 -4.26 116.55 126.69 3mef n ASP 24 Ca 0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.18 3mef n ASP 24 Cb 0.00 0.07 -0.15 0.00 -0.64 0.00 0.00 41.12 40.40 3mef n ASP 24 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3mef n ASP 25 N -1.86 0.24 0.00 -2.24 8.00 -1.26 -4.87 116.55 114.56 3mef n ASP 25 Ca 0.00 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.61 3mef n ASP 25 Cb 0.28 0.77 0.00 0.00 -0.02 0.00 0.00 41.12 42.14 3mef n ASP 25 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mef n GLY 26 N 1.66 -0.04 0.00 0.44 0.00 -1.26 -5.08 105.19 100.91 3mef n GLY 26 Ca -0.27 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3mef n GLY 26 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mef n SER 27 N 0.00 0.00 -4.38 1.61 3.41 -1.26 -5.03 113.62 107.97 3mef n SER 27 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.28 3mef n SER 27 Cb 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.08 3mef n SER 27 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3mef n LYS 28 N 0.00 -0.62 -4.10 4.33 4.01 -1.26 -4.56 118.16 115.96 3mef n LYS 28 Ca 0.00 -0.15 -0.36 0.00 -0.51 0.00 0.00 58.31 57.30 3mef n LYS 28 Cb 0.00 -1.82 -0.08 0.00 -0.51 0.00 0.00 35.03 32.62 3mef n LYS 28 CO 0.00 0.00 0.00 0.16 -1.11 0.00 0.00 177.40 176.45 3mef s ASP 29 N -1.98 5.75 0.32 4.39 1.47 -1.26 -4.08 116.67 121.28 3mef s ASP 29 Ca 0.57 0.25 -0.06 0.00 1.18 0.00 0.00 52.55 54.48 3mef s ASP 29 Cb -0.19 -1.81 -0.06 0.00 -0.34 0.00 0.00 42.92 40.53 3mef s ASP 29 CO 0.67 0.34 0.61 0.68 0.68 0.00 0.00 175.17 178.15 3mef s VAL 30 N -0.64 4.96 0.09 2.11 -7.23 0.16 -4.87 120.40 114.98 3mef s VAL 30 Ca 0.12 0.21 -0.19 0.00 -1.81 0.00 0.00 61.98 60.31 3mef s VAL 30 Cb -0.12 -3.73 -0.07 0.00 0.56 0.00 0.00 36.38 33.02 3mef s VAL 30 CO 0.02 -0.36 0.57 0.72 -0.31 0.00 0.00 175.10 175.74 3mef s PHE 31 N -2.15 3.78 0.23 2.82 -0.12 -1.19 -1.43 117.98 119.91 3mef s PHE 31 Ca 0.46 1.26 -0.22 0.00 -0.05 0.00 0.00 56.93 58.37 3mef s PHE 31 Cb -0.11 -2.49 0.04 0.00 -0.63 0.00 0.00 43.02 39.84 3mef s PHE 31 CO 0.30 0.56 0.70 0.54 -0.05 0.00 0.00 175.22 177.27 3mef s VAL 32 N -1.17 0.00 -0.83 -2.49 0.11 -0.39 -2.94 120.40 112.69 3mef s VAL 32 Ca 0.31 -0.64 -0.01 0.00 -2.93 0.00 0.00 61.98 58.70 3mef s VAL 32 Cb -0.19 -1.66 0.21 0.00 -1.53 0.00 0.00 36.38 33.20 3mef s VAL 32 CO 0.19 0.00 0.70 -2.28 -3.33 0.00 0.00 175.10 170.38 3mef s HIS 33 N -3.81 3.78 0.00 1.54 2.46 -1.26 0.66 115.29 118.66 3mef s HIS 33 Ca 0.08 -3.01 0.00 0.00 0.47 0.00 0.00 55.06 52.60 3mef s HIS 33 Cb -0.04 -3.19 0.00 0.00 -0.13 0.00 0.00 32.58 29.22 3mef s HIS 33 CO 0.00 -0.74 0.00 1.19 -2.47 0.00 0.00 174.74 172.72 3mef n PHE 34 N 2.49 0.00 -1.11 3.88 3.72 -1.26 -3.67 117.46 121.51 3mef n PHE 34 Ca 0.19 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.55 3mef n PHE 34 Cb 0.37 -0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 38.87 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 0.52 -3.48 -3.73 4.37 2.88 -1.26 -3.64 113.62 109.27 3mef n SER 35 Ca 0.00 0.09 -0.28 0.00 -1.33 0.00 0.00 58.87 57.35 3mef n SER 35 Cb 0.00 -1.31 0.03 0.00 -0.75 0.00 0.00 64.21 62.17 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 1.07 -2.37 -0.42 -1.46 0.00 -1.24 -0.80 120.51 115.30 3mef n ALA 36 Ca -0.04 -0.23 -0.11 0.00 0.00 0.00 0.00 53.44 53.06 3mef n ALA 36 Cb 0.13 -3.33 0.19 0.00 0.00 0.00 0.00 19.45 16.43 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 -4.22 0.00 -2.97 0.00 -0.00 -1.24 -4.23 119.36 106.71 3mef n ILE 37 Ca -0.17 0.00 -0.29 0.00 -0.00 0.00 0.00 62.75 62.29 3mef n ILE 37 Cb 0.62 -0.63 -0.04 0.00 -0.00 0.00 0.00 39.64 39.60 3mef n ILE 37 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3mef n GLN 38 N -2.63 3.44 -4.31 6.28 3.00 -1.26 -4.89 117.38 117.02 3mef n GLN 38 Ca 0.09 -4.82 -0.17 0.00 -0.01 0.00 0.00 57.00 52.09 3mef n GLN 38 Cb 0.38 -2.27 -0.10 0.00 0.00 0.00 0.00 30.24 28.25 3mef n GLN 38 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 3mef s ASN 39 N -3.08 2.26 -0.01 1.08 3.84 -1.26 -5.07 114.94 112.70 3mef s ASN 39 Ca 0.46 -1.02 -0.00 0.00 0.21 0.00 0.00 52.86 52.51 3mef s ASN 39 Cb 0.25 -0.09 -0.01 0.00 -0.55 0.00 0.00 41.25 40.86 3mef s ASN 39 CO -0.12 -0.24 -0.01 -0.90 -2.79 0.00 0.00 177.10 173.04 3mef n ASP 40 N -0.31 1.85 0.00 -4.21 5.68 -1.26 -4.98 116.55 113.32 3mef n ASP 40 Ca -0.09 0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.21 3mef n ASP 40 Cb 0.60 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.56 3mef n ASP 40 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3mef n GLY 41 N 3.16 -1.24 3.68 6.12 0.00 -1.26 -4.78 105.19 110.87 3mef n GLY 41 Ca -0.02 -0.98 -0.47 0.00 0.00 0.00 0.00 46.02 44.54 3mef n GLY 41 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3mef n TYR 42 N 0.00 2.37 0.00 1.61 4.01 -1.26 -4.96 117.16 118.94 3mef n TYR 42 Ca 0.00 -0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 3mef n TYR 42 Cb 0.00 -2.69 0.00 0.00 -0.31 0.00 0.00 39.34 36.34 3mef n TYR 42 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 3mef n LYS 43 N 6.73 3.10 -1.37 -0.72 3.00 -1.26 -4.97 118.16 122.68 3mef n LYS 43 Ca 0.22 0.00 0.17 0.00 -0.00 0.00 0.00 58.31 58.70 3mef n LYS 43 Cb 0.32 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.27 3mef n LYS 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 3mef n SER 44 N 0.00 -7.81 0.00 3.14 7.64 -1.26 -5.02 113.62 110.31 3mef n SER 44 Ca 0.00 1.21 0.00 0.00 1.01 0.00 0.00 58.87 61.09 3mef n SER 44 Cb 0.00 -4.59 0.00 0.00 -1.01 0.00 0.00 64.21 58.61 3mef n SER 44 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3mef n LEU 45 N -4.23 0.00 -0.43 -3.43 7.94 -1.26 -5.05 117.00 110.54 3mef n LEU 45 Ca -0.07 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.90 3mef n LEU 45 Cb 0.65 0.00 0.12 0.00 0.53 0.00 0.00 43.42 44.72 3mef n LEU 45 CO 0.03 0.00 0.41 -0.67 -1.11 0.00 0.00 177.39 176.05 3mef n ASP 46 N 0.00 1.64 -3.04 1.96 2.03 -1.26 -5.05 116.55 112.83 3mef n ASP 46 Ca 0.00 -3.02 -0.20 0.00 0.52 0.00 0.00 54.79 52.09 3mef n ASP 46 Cb 0.00 -0.40 0.02 0.00 -0.72 0.00 0.00 41.12 40.02 3mef n ASP 46 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 3mef n GLU 47 N -0.91 -1.06 -0.06 -0.67 2.13 -1.26 -4.66 120.64 114.14 3mef n GLU 47 Ca 0.13 0.99 0.00 0.00 0.66 0.00 0.00 57.16 58.94 3mef n GLU 47 Cb 0.72 -1.36 0.00 0.00 0.27 0.00 0.00 31.44 31.07 3mef n GLU 47 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3mef n GLY 48 N 0.41 -0.35 3.57 8.31 0.00 -0.60 -5.02 105.19 111.52 3mef n GLY 48 Ca -0.05 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.10 3mef n GLY 48 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3mef s GLN 49 N -0.00 0.94 -0.17 1.61 0.74 -1.14 -4.95 119.66 116.68 3mef s GLN 49 Ca 0.00 0.54 -0.21 0.00 0.05 0.00 0.00 55.36 55.74 3mef s GLN 49 Cb 0.00 0.45 -0.03 0.00 1.10 0.00 0.00 33.01 34.53 3mef s GLN 49 CO 0.00 -0.23 0.61 0.21 -0.55 0.00 0.00 175.29 175.33 3mef s LYS 50 N -0.57 4.25 0.29 1.67 2.47 -1.26 -0.62 119.74 125.96 3mef s LYS 50 Ca -0.06 0.61 -0.09 0.00 -1.56 0.00 0.00 55.97 54.88 3mef s LYS 50 Cb -0.02 -3.55 -0.00 0.00 -1.46 0.00 0.00 37.83 32.80 3mef s LYS 50 CO 0.06 -0.15 0.47 0.14 0.16 0.00 0.00 175.35 176.03 3mef s VAL 51 N 1.62 0.00 -0.46 4.02 -7.23 -0.53 -1.76 120.40 116.06 3mef s VAL 51 Ca 0.29 -1.49 -0.16 0.00 -1.81 0.00 0.00 61.98 58.81 3mef s VAL 51 Cb -0.16 -2.42 0.05 0.00 0.56 0.00 0.00 36.38 34.41 3mef s VAL 51 CO 0.11 0.00 0.41 -0.44 -0.31 0.00 0.00 175.10 174.87 3mef s SER 52 N -3.11 6.15 0.26 4.85 0.01 -0.63 0.44 113.70 121.68 3mef s SER 52 Ca 0.26 -1.12 0.05 0.00 1.31 0.00 0.00 55.95 56.45 3mef s SER 52 Cb -0.00 -2.20 -0.03 0.00 0.21 0.00 0.00 66.02 64.00 3mef s SER 52 CO 0.13 -0.63 0.36 0.72 0.41 0.00 0.00 173.24 174.23 3mef s PHE 53 N 1.82 3.37 -0.31 2.43 -0.71 0.63 -2.12 117.98 123.09 3mef s PHE 53 Ca 0.06 -0.06 0.00 0.00 -1.04 0.00 0.00 56.93 55.90 3mef s PHE 53 Cb -0.22 -1.62 0.10 0.00 -1.21 0.00 0.00 43.02 40.07 3mef s PHE 53 CO 0.09 0.38 0.08 0.95 -1.34 0.00 0.00 175.22 175.38 3mef s THR 54 N -2.02 1.17 0.86 -4.49 -4.23 0.26 -2.23 115.64 104.96 3mef s THR 54 Ca 0.36 -1.56 -0.17 0.00 -1.18 0.00 0.00 61.69 59.14 3mef s THR 54 Cb -0.09 -1.86 -0.12 0.00 1.34 0.00 0.00 72.50 71.77 3mef s THR 54 CO 0.29 -0.63 -0.40 -0.38 -0.54 0.00 0.00 174.62 172.96 3mef n ILE 55 N 4.73 0.17 -4.23 2.99 5.41 -1.26 -2.41 119.36 124.76 3mef n ILE 55 Ca -0.01 -0.46 -0.22 0.00 1.00 0.00 0.00 62.75 63.06 3mef n ILE 55 Cb 0.42 -0.14 -0.17 0.00 -0.71 0.00 0.00 39.64 39.05 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 -2.04 1.14 -0.22 0.38 0.41 -0.67 -4.72 118.70 112.98 3mef s GLU 56 Ca 0.48 -0.19 0.02 0.00 -0.41 0.00 0.00 54.97 54.86 3mef s GLU 56 Cb -0.27 -1.09 0.04 0.00 -1.78 0.00 0.00 34.13 31.04 3mef s GLU 56 CO 0.75 -0.09 -0.12 0.45 -0.49 0.00 0.00 175.26 175.76 3mef s SER 57 N 1.01 3.72 0.00 -0.19 0.15 -1.26 -3.58 113.70 113.55 3mef s SER 57 Ca -0.09 -1.03 0.00 0.00 0.70 0.00 0.00 55.95 55.53 3mef s SER 57 Cb -0.14 -1.39 0.00 0.00 -1.71 0.00 0.00 66.02 62.78 3mef s SER 57 CO -0.00 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.91 3mef n GLY 58 N 4.58 1.55 0.00 9.45 0.00 -1.26 -5.04 105.19 114.47 3mef n GLY 58 Ca -0.16 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 -0.12 0.00 4.61 0.00 -1.26 -4.91 120.51 118.83 3mef n ALA 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3mef n ALA 59 Cb 0.00 0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.69 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 -1.87 0.00 -2.00 0.00 0.00 -1.26 -5.16 118.16 107.87 3mef n LYS 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 3mef n LYS 60 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3mef n LYS 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3mef n GLY 61 N -0.92 4.12 3.68 3.14 0.00 -1.26 -5.12 105.19 108.82 3mef n GLY 61 Ca 0.00 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.99 4.29 0.31 1.61 0.04 -1.26 -4.71 135.00 133.30 3mef s PRO 62 Ca 0.00 1.69 0.06 0.00 0.04 0.00 0.00 61.00 62.79 3mef s PRO 62 Cb 0.00 -3.65 -0.03 0.00 0.04 0.00 0.00 34.50 30.86 3mef s PRO 62 CO 0.00 -0.57 0.26 0.00 0.04 0.00 0.00 177.00 176.73 3mef s ALA 63 N 2.80 1.79 0.18 8.56 0.00 -1.23 -3.15 121.76 130.70 3mef s ALA 63 Ca 0.56 -2.03 0.00 0.00 0.00 0.00 0.00 51.96 50.49 3mef s ALA 63 Cb -0.24 1.47 0.00 0.00 0.00 0.00 0.00 23.12 24.35 3mef s ALA 63 CO 0.19 -0.65 0.00 0.00 0.00 0.00 0.00 175.76 175.30 3mef n ALA 64 N -0.58 0.00 0.00 0.00 0.00 -1.15 -1.67 120.51 117.10 3mef n ALA 64 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3mef n ALA 64 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 3mef n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mef n GLY 65 N 5.00 4.06 2.33 0.00 0.00 -1.01 -3.04 105.19 112.53 3mef n GLY 65 Ca 0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 46.02 45.57 3mef n GLY 65 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mef n ASN 66 N 0.00 -7.68 -3.71 1.61 3.02 0.02 0.92 115.26 109.45 3mef n ASN 66 Ca 0.00 1.72 -0.19 0.00 -0.03 0.00 0.00 54.58 56.08 3mef n ASN 66 Cb 0.00 -4.64 -0.18 0.00 -0.61 0.00 0.00 39.78 34.36 3mef n ASN 66 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3mef s VAL 67 N -0.51 -0.04 -0.19 2.41 -7.23 -1.20 -1.41 120.40 112.23 3mef s VAL 67 Ca -0.01 0.34 0.00 0.00 -1.81 0.00 0.00 61.98 60.50 3mef s VAL 67 Cb 0.00 -0.18 0.02 0.00 0.56 0.00 0.00 36.38 36.77 3mef s VAL 67 CO 0.04 0.17 -0.16 0.28 -0.31 0.00 0.00 175.10 175.12 3mef s THR 68 N 1.90 2.34 0.17 5.32 -1.32 -0.90 -3.99 115.64 119.15 3mef s THR 68 Ca 0.02 -0.89 -0.33 0.00 -1.21 0.00 0.00 61.69 59.28 3mef s THR 68 Cb -0.12 -2.02 -0.16 0.00 -1.51 0.00 0.00 72.50 68.68 3mef s THR 68 CO -0.03 0.48 1.12 -1.54 -2.21 0.00 0.00 174.62 172.44 3mef n SER 69 N 4.65 1.11 0.00 8.08 3.41 -1.26 -1.60 113.62 128.01 3mef n SER 69 Ca -0.20 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.55 3mef n SER 69 Cb 0.50 -1.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 3mef n SER 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88