#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mef s GLY 3 N 0.00 1.78 0.00 0.46 0.00 -1.26 -5.12 107.32 103.17 3mef s GLY 3 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.86 3mef s GLY 3 CO 0.00 -0.64 0.00 0.28 0.00 0.00 0.00 173.10 172.74 3mef n LYS 4 N 2.12 3.69 -3.23 2.90 4.76 -1.26 -5.12 118.16 122.01 3mef n LYS 4 Ca -0.18 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 54.94 3mef n LYS 4 Cb 0.53 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.67 3mef n LYS 4 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3mef s MET 5 N 2.54 3.87 0.83 1.97 0.23 -0.87 -4.84 119.30 123.03 3mef s MET 5 Ca 0.00 0.44 -0.12 0.00 -1.03 0.00 0.00 55.69 54.98 3mef s MET 5 Cb 0.00 -2.53 0.09 0.00 -1.53 0.00 0.00 34.83 30.86 3mef s MET 5 CO 0.00 0.20 1.15 0.95 -2.03 0.00 0.00 175.02 175.29 3mef s THR 6 N -1.97 2.24 0.00 3.16 -4.23 -1.26 -1.24 115.64 112.34 3mef s THR 6 Ca 0.50 0.08 0.00 0.00 -1.18 0.00 0.00 61.69 61.09 3mef s THR 6 Cb -0.11 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.77 3mef s THR 6 CO 0.22 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.80 3mef n GLY 7 N -2.78 2.83 3.89 3.99 0.00 0.21 -3.88 105.19 109.45 3mef n GLY 7 Ca 0.07 0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.28 5.38 0.21 -0.61 -4.36 -0.62 0.04 121.20 120.95 3mef s ILE 8 Ca 0.00 0.11 -0.24 0.00 -0.26 0.00 0.00 60.65 60.26 3mef s ILE 8 Cb 0.00 -3.53 -0.08 0.00 1.25 0.00 0.00 42.46 40.10 3mef s ILE 8 CO 0.00 0.42 0.80 0.54 0.24 0.00 0.00 174.94 176.93 3mef s VAL 9 N -1.24 4.39 -0.10 8.37 0.11 0.29 -1.06 120.40 131.16 3mef s VAL 9 Ca 0.24 1.62 0.05 0.00 -2.93 0.00 0.00 61.98 60.96 3mef s VAL 9 Cb -0.13 -4.04 -0.10 0.00 -1.53 0.00 0.00 36.38 30.58 3mef s VAL 9 CO 0.14 0.37 -0.03 0.29 -3.33 0.00 0.00 175.10 172.54 3mef n LYS 10 N 1.16 1.50 -3.82 1.54 5.02 -1.25 -0.80 118.16 121.51 3mef n LYS 10 Ca -0.03 0.03 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 3mef n LYS 10 Cb 0.50 -1.24 -0.15 0.00 -0.02 0.00 0.00 35.03 34.11 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 -2.23 0.03 -0.07 2.13 0.52 -1.10 -4.33 118.94 113.88 3mef s TRP 11 Ca -0.10 0.08 -0.02 0.00 0.02 0.00 0.00 56.10 56.08 3mef s TRP 11 Cb 0.03 -0.15 0.03 0.00 -1.15 0.00 0.00 33.47 32.23 3mef s TRP 11 CO 0.34 -0.06 0.04 0.12 0.02 0.00 0.00 176.95 177.41 3mef s PHE 12 N 0.66 0.35 -0.37 -1.98 5.36 -1.26 -0.97 117.98 119.76 3mef s PHE 12 Ca -0.06 0.01 0.13 0.00 -0.96 0.00 0.00 56.93 56.05 3mef s PHE 12 Cb -0.08 -0.64 0.38 0.00 -0.34 0.00 0.00 43.02 42.34 3mef s PHE 12 CO -0.02 -0.28 0.81 0.09 -1.46 0.00 0.00 175.22 174.36 3mef n ASN 13 N 5.23 1.35 -3.59 6.13 5.03 -1.06 -4.91 115.26 123.44 3mef n ASN 13 Ca -0.05 -3.00 -0.40 0.00 0.87 0.00 0.00 54.58 52.00 3mef n ASN 13 Cb 0.50 -0.59 -0.04 0.00 -1.02 0.00 0.00 39.78 38.63 3mef n ASN 13 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3mef n ALA 14 N 0.13 4.16 0.00 5.41 0.00 -1.24 -1.62 120.51 127.35 3mef n ALA 14 Ca 0.22 -3.31 0.00 0.00 0.00 0.00 0.00 53.44 50.35 3mef n ALA 14 Cb 0.68 -3.53 0.00 0.00 0.00 0.00 0.00 19.45 16.60 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 6.64 0.00 -0.08 0.00 5.75 -1.26 -4.70 116.55 122.89 3mef n ASP 15 Ca 0.51 0.00 -0.08 0.00 -0.01 0.00 0.00 54.79 55.20 3mef n ASP 15 Cb 0.36 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.43 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 -0.28 0.50 -1.23 0.11 2.85 -1.04 -4.89 118.16 114.18 3mef n LYS 16 Ca 0.00 0.20 -0.02 0.00 -1.05 0.00 0.00 58.31 57.44 3mef n LYS 16 Cb 0.00 -1.37 -0.03 0.00 -0.65 0.00 0.00 35.03 32.98 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 1.54 0.73 5.87 2.58 0.00 -1.22 -5.15 105.19 109.54 3mef n GLY 17 Ca -0.13 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.51 3mef n GLY 17 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mef n PHE 18 N 0.22 -0.33 -4.33 1.61 3.72 -0.64 -4.98 117.46 112.73 3mef n PHE 18 Ca -0.13 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.07 3mef n PHE 18 Cb 0.90 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 39.36 3mef n PHE 18 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3mef s GLY 19 N -0.33 2.28 -0.02 1.37 0.00 -0.06 -2.55 107.32 108.00 3mef s GLY 19 Ca 0.00 -1.82 0.02 0.00 0.00 0.00 0.00 44.72 42.92 3mef s GLY 19 CO 0.00 -1.56 -0.09 -1.36 0.00 0.00 0.00 173.10 170.10 3mef s PHE 20 N -3.48 0.93 0.24 1.90 0.08 -0.15 -1.21 117.98 116.29 3mef s PHE 20 Ca 0.36 -0.23 0.08 0.00 0.12 0.00 0.00 56.93 57.26 3mef s PHE 20 Cb 0.03 -0.67 -0.04 0.00 -0.57 0.00 0.00 43.02 41.78 3mef s PHE 20 CO 0.22 -0.10 0.10 0.42 -0.10 0.00 0.00 175.22 175.77 3mef s ILE 21 N 0.18 4.04 -0.25 0.64 1.01 -0.33 -2.73 121.20 123.76 3mef s ILE 21 Ca -0.03 -1.55 0.03 0.00 0.00 0.00 0.00 60.65 59.10 3mef s ILE 21 Cb -0.08 -3.15 0.06 0.00 0.01 0.00 0.00 42.46 39.29 3mef s ILE 21 CO 0.00 -0.31 -0.10 -0.89 0.00 0.00 0.00 174.94 173.64 3mef s THR 22 N -2.12 2.05 0.87 2.92 2.01 -0.22 -2.39 115.64 118.75 3mef s THR 22 Ca 0.32 -1.54 -0.12 0.00 0.31 0.00 0.00 61.69 60.65 3mef s THR 22 Cb -0.08 -2.18 0.11 0.00 0.01 0.00 0.00 72.50 70.37 3mef s THR 22 CO 0.22 -0.03 1.12 -2.16 -0.69 0.00 0.00 174.62 173.09 3mef s PRO 23 N 1.16 1.47 -0.07 4.92 0.04 -1.26 -1.59 135.00 139.67 3mef s PRO 23 Ca -0.08 0.40 -0.02 0.00 0.04 0.00 0.00 61.00 61.34 3mef s PRO 23 Cb -0.20 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 3mef s PRO 23 CO -0.05 -1.99 -0.08 -0.40 0.04 0.00 0.00 177.00 174.51 3mef n ASP 24 N -3.65 1.72 0.03 6.66 5.75 -1.25 -4.72 116.55 121.09 3mef n ASP 24 Ca 0.07 0.04 0.11 0.00 -0.01 0.00 0.00 54.79 55.00 3mef n ASP 24 Cb 0.58 -0.18 -0.09 0.00 -1.03 0.00 0.00 41.12 40.40 3mef n ASP 24 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 3mef n ASP 25 N -3.08 0.38 0.00 -1.12 2.03 -1.26 -4.84 116.55 108.66 3mef n ASP 25 Ca -0.14 0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.19 3mef n ASP 25 Cb 0.62 1.33 0.00 0.00 -0.72 0.00 0.00 41.12 42.35 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 1.26 -1.94 0.00 0.27 0.00 -1.26 -5.09 105.19 98.43 3mef n GLY 26 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 0.00 -2.78 1.61 7.64 -1.26 -5.09 113.62 113.74 3mef n SER 27 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 3mef n SER 27 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 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 -0.31 1.06 -3.37 1.43 5.02 -1.26 -4.81 118.16 115.92 3mef n LYS 28 Ca 0.00 -0.88 -0.35 0.00 -2.02 0.00 0.00 58.31 55.06 3mef n LYS 28 Cb 0.00 0.01 -0.06 0.00 -0.02 0.00 0.00 35.03 34.96 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 -1.93 6.81 0.32 4.39 -4.77 -1.26 -4.18 116.67 116.05 3mef s ASP 29 Ca 0.13 1.05 0.10 0.00 -3.30 0.00 0.00 52.55 50.53 3mef s ASP 29 Cb -0.01 -2.28 -0.06 0.00 -1.09 0.00 0.00 42.92 39.49 3mef s ASP 29 CO 0.08 0.11 -0.06 0.68 0.70 0.00 0.00 175.17 176.68 3mef s VAL 30 N -1.46 2.56 0.28 2.11 -7.23 -1.01 -4.89 120.40 110.76 3mef s VAL 30 Ca 0.38 -2.11 -0.09 0.00 -1.81 0.00 0.00 61.98 58.34 3mef s VAL 30 Cb -0.15 -2.67 -0.07 0.00 0.56 0.00 0.00 36.38 34.06 3mef s VAL 30 CO 0.19 -0.25 0.60 0.72 -0.31 0.00 0.00 175.10 176.05 3mef s PHE 31 N -2.53 3.44 0.03 2.82 -0.12 -1.26 -1.19 117.98 119.18 3mef s PHE 31 Ca 0.33 0.86 -0.26 0.00 -0.05 0.00 0.00 56.93 57.82 3mef s PHE 31 Cb -0.01 -2.27 0.06 0.00 -0.63 0.00 0.00 43.02 40.18 3mef s PHE 31 CO 0.18 0.17 0.59 0.54 -0.05 0.00 0.00 175.22 176.65 3mef s VAL 32 N -1.99 0.01 0.53 -2.49 0.11 -0.35 -0.44 120.40 115.79 3mef s VAL 32 Ca 0.48 -0.11 0.05 0.00 -2.93 0.00 0.00 61.98 59.47 3mef s VAL 32 Cb -0.11 -0.98 0.03 0.00 -1.53 0.00 0.00 36.38 33.79 3mef s VAL 32 CO 0.25 -0.06 0.34 -1.38 -3.33 0.00 0.00 175.10 170.91 3mef s HIS 33 N -2.19 1.73 0.20 1.54 -3.43 -1.26 -0.88 115.29 110.99 3mef s HIS 33 Ca -0.06 -0.84 0.29 0.00 -0.80 0.00 0.00 55.06 53.65 3mef s HIS 33 Cb -0.01 -1.88 1.26 0.00 -1.43 0.00 0.00 32.58 30.53 3mef s HIS 33 CO 0.01 -0.34 1.96 0.27 -2.00 0.00 0.00 174.74 174.64 3mef h PHE 34 N 0.87 0.00 0.00 0.38 -5.15 -1.97 -3.08 116.94 107.99 3mef h PHE 34 Ca -0.38 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.39 3mef h PHE 34 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.47 3mef h PHE 34 CO 1.03 0.11 0.00 0.45 -2.00 0.00 0.00 178.31 177.90 3mef n SER 35 N -3.30 4.54 -2.70 -0.68 2.88 -1.26 -3.79 113.62 109.32 3mef n SER 35 Ca -0.00 -2.20 -0.06 0.00 -1.33 0.00 0.00 58.87 55.28 3mef n SER 35 Cb 0.33 -0.95 0.08 0.00 -0.75 0.00 0.00 64.21 62.92 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 1.46 -2.50 -3.11 -1.46 0.00 -1.16 -5.05 120.51 108.69 3mef n ALA 36 Ca 0.00 -0.79 -0.16 0.00 0.00 0.00 0.00 53.44 52.48 3mef n ALA 36 Cb 0.44 -2.39 -0.01 0.00 0.00 0.00 0.00 19.45 17.49 3mef n ALA 36 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3mef n ILE 37 N 1.22 -0.15 -1.50 0.00 3.06 -1.25 -4.38 119.36 116.37 3mef n ILE 37 Ca 0.03 -4.02 -0.41 0.00 -2.50 0.00 0.00 62.75 55.86 3mef n ILE 37 Cb 0.69 0.03 -0.14 0.00 0.54 0.00 0.00 39.64 40.76 3mef n ILE 37 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3mef n GLN 38 N 0.32 0.08 0.00 9.51 3.00 -1.20 -4.63 117.38 124.46 3mef n GLN 38 Ca 0.21 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 3mef n GLN 38 Cb 0.66 -1.65 0.00 0.00 0.00 0.00 0.00 30.24 29.25 3mef n GLN 38 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 3mef n ASN 39 N 10.92 2.17 0.00 1.08 6.94 -1.26 -2.26 115.26 132.85 3mef n ASN 39 Ca 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 55.20 3mef n ASN 39 Cb 0.07 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.49 3mef n ASN 39 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3mef n ASP 40 N 0.00 0.00 0.00 0.53 9.92 -1.26 -4.89 116.55 120.85 3mef n ASP 40 Ca 0.00 0.41 0.00 0.00 -0.53 0.00 0.00 54.79 54.67 3mef n ASP 40 Cb 0.00 -0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.45 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 -0.89 1.19 1.95 0.44 0.00 -1.26 -5.00 105.19 101.63 3mef n GLY 41 Ca 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 0.00 1.61 4.01 -1.26 -4.94 117.16 116.58 3mef n TYR 42 Ca 0.00 -1.39 0.00 0.00 -0.16 0.00 0.00 57.90 56.35 3mef n TYR 42 Cb 0.00 -1.42 0.00 0.00 -0.31 0.00 0.00 39.34 37.61 3mef n TYR 42 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 3mef n LYS 43 N 2.39 0.00 -1.62 -0.72 0.00 -1.26 -4.93 118.16 112.02 3mef n LYS 43 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.67 3mef n LYS 43 Cb 0.84 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.87 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 -0.33 -6.48 0.00 -5.58 7.64 -1.26 -4.92 113.62 102.70 3mef n SER 44 Ca 0.00 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.85 3mef n SER 44 Cb 0.00 -3.57 0.00 0.00 -1.01 0.00 0.00 64.21 59.63 3mef n SER 44 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3mef n LEU 45 N 1.17 0.00 -3.88 -3.43 4.32 -1.26 -5.06 117.00 108.86 3mef n LEU 45 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.90 3mef n LEU 45 Cb 0.00 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.74 3mef n LEU 45 CO 0.00 0.00 0.10 -0.62 -1.22 0.00 0.00 177.39 175.65 3mef s ASP 46 N -0.73 -0.08 -0.61 -1.43 -1.08 -1.26 -5.11 116.67 106.37 3mef s ASP 46 Ca 0.00 -0.73 -0.20 0.00 -0.52 0.00 0.00 52.55 51.10 3mef s ASP 46 Cb 0.00 0.50 0.09 0.00 -1.46 0.00 0.00 42.92 42.05 3mef s ASP 46 CO 0.00 -0.97 0.81 -1.83 0.52 0.00 0.00 175.17 173.70 3mef s GLU 47 N -3.94 3.08 0.00 4.34 -1.05 -1.26 -4.47 118.70 115.40 3mef s GLU 47 Ca 0.15 -1.09 0.00 0.00 -0.15 0.00 0.00 54.97 53.88 3mef s GLU 47 Cb 0.01 -4.24 0.00 0.00 -0.44 0.00 0.00 34.13 29.46 3mef s GLU 47 CO -0.00 -1.64 0.00 0.41 0.95 0.00 0.00 175.26 174.98 3mef n GLY 48 N 5.29 0.58 3.28 -3.83 0.00 0.02 -4.98 105.19 105.54 3mef n GLY 48 Ca -0.07 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.99 0.39 0.16 1.61 0.74 -1.10 -4.93 119.66 115.55 3mef s GLN 49 Ca 0.00 0.81 -0.30 0.00 0.05 0.00 0.00 55.36 55.92 3mef s GLN 49 Cb 0.00 0.00 -0.08 0.00 1.10 0.00 0.00 33.01 34.03 3mef s GLN 49 CO 0.00 -0.16 1.23 0.21 -0.55 0.00 0.00 175.29 176.02 3mef s LYS 50 N 1.49 4.45 0.27 1.67 2.20 -1.26 -0.55 119.74 128.00 3mef s LYS 50 Ca -0.09 1.91 -0.10 0.00 -0.36 0.00 0.00 55.97 57.33 3mef s LYS 50 Cb -0.09 -3.25 -0.00 0.00 -1.51 0.00 0.00 37.83 32.98 3mef s LYS 50 CO -0.13 -0.17 0.47 0.14 -0.36 0.00 0.00 175.35 175.29 3mef s VAL 51 N 0.24 0.00 -0.11 4.02 -7.23 0.11 -1.46 120.40 115.97 3mef s VAL 51 Ca 0.55 -1.47 0.02 0.00 -1.81 0.00 0.00 61.98 59.28 3mef s VAL 51 Cb -0.33 -2.34 0.01 0.00 0.56 0.00 0.00 36.38 34.28 3mef s VAL 51 CO 0.35 0.00 -0.17 -0.44 -0.31 0.00 0.00 175.10 174.53 3mef s SER 52 N -3.07 2.54 0.02 4.85 0.01 0.15 0.68 113.70 118.88 3mef s SER 52 Ca 0.25 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.05 3mef s SER 52 Cb -0.00 -1.15 -0.00 0.00 0.21 0.00 0.00 66.02 65.07 3mef s SER 52 CO 0.11 0.05 0.02 2.22 0.41 0.00 0.00 173.24 176.05 3mef n PHE 53 N 4.03 -0.28 -3.93 2.43 -1.74 -0.37 -0.67 117.46 116.93 3mef n PHE 53 Ca -0.20 -0.12 -0.30 0.00 -0.56 0.00 0.00 57.45 56.27 3mef n PHE 53 Cb 0.52 0.02 -0.14 0.00 1.52 0.00 0.00 39.48 41.39 3mef n PHE 53 CO 0.00 0.00 0.00 -0.08 -0.56 0.00 0.00 176.76 176.12 3mef s THR 54 N -2.28 2.16 -0.82 1.97 -1.32 0.31 -2.04 115.64 113.62 3mef s THR 54 Ca 0.02 -2.63 -0.18 0.00 -1.21 0.00 0.00 61.69 57.69 3mef s THR 54 Cb 0.00 -2.55 -0.13 0.00 -1.51 0.00 0.00 72.50 68.31 3mef s THR 54 CO 0.01 -0.71 1.97 -0.38 -2.21 0.00 0.00 174.62 173.30 3mef n ILE 55 N 3.82 2.00 -3.52 5.08 -0.00 -1.23 -3.20 119.36 122.31 3mef n ILE 55 Ca 0.04 -1.59 0.03 0.00 -0.00 0.00 0.00 62.75 61.23 3mef n ILE 55 Cb 0.38 -2.28 -0.06 0.00 -0.00 0.00 0.00 39.64 37.68 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 4.58 0.01 0.39 0.38 2.02 -0.59 -4.71 118.70 120.77 3mef s GLU 56 Ca 0.53 0.02 0.00 0.00 0.02 0.00 0.00 54.97 55.53 3mef s GLU 56 Cb 0.13 0.00 0.00 0.00 0.10 0.00 0.00 34.13 34.37 3mef s GLU 56 CO 0.08 -0.00 0.00 0.45 0.02 0.00 0.00 175.26 175.80 3mef n SER 57 N 3.40 -6.58 0.00 -0.19 2.88 -0.35 -4.66 113.62 108.12 3mef n SER 57 Ca -0.14 0.92 0.00 0.00 -1.33 0.00 0.00 58.87 58.31 3mef n SER 57 Cb 0.56 -3.26 0.00 0.00 -0.75 0.00 0.00 64.21 60.76 3mef n SER 57 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3mef n GLY 58 N -0.93 0.43 0.32 0.46 0.00 -1.24 -4.09 105.19 100.13 3mef n GLY 58 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 -0.04 4.61 0.00 -1.26 -5.04 120.51 118.78 3mef n ALA 59 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 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 1.57 0.00 0.00 0.00 177.50 179.07 3mef h LYS 60 N 0.00 0.00 0.00 0.00 -0.00 -2.04 -3.50 116.57 111.03 3mef h LYS 60 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 3mef h LYS 60 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.23 3mef h LYS 60 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 179.45 179.86 3mef n GLY 61 N 1.78 0.85 3.74 0.07 0.00 -1.26 -5.04 105.19 105.34 3mef n GLY 61 Ca -0.02 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 0.63 4.58 0.14 1.61 0.04 -1.26 -1.21 135.00 139.52 3mef s PRO 62 Ca 0.00 1.75 -0.22 0.00 0.04 0.00 0.00 61.00 62.57 3mef s PRO 62 Cb 0.00 -3.26 0.06 0.00 0.04 0.00 0.00 34.50 31.34 3mef s PRO 62 CO 0.00 0.05 0.57 0.00 0.04 0.00 0.00 177.00 177.66 3mef s ALA 63 N -0.27 -1.49 -0.86 8.56 0.00 -1.26 -4.54 121.76 121.91 3mef s ALA 63 Ca 0.50 0.44 -0.05 0.00 0.00 0.00 0.00 51.96 52.84 3mef s ALA 63 Cb -0.30 0.81 0.22 0.00 0.00 0.00 0.00 23.12 23.85 3mef s ALA 63 CO 0.36 -0.73 0.76 0.00 0.00 0.00 0.00 175.76 176.14 3mef s ALA 64 N -3.62 4.15 0.36 0.00 0.00 0.42 -1.55 121.76 121.52 3mef s ALA 64 Ca 0.01 -3.63 0.07 0.00 0.00 0.00 0.00 51.96 48.41 3mef s ALA 64 Cb -0.00 -3.02 -0.02 0.00 0.00 0.00 0.00 23.12 20.08 3mef s ALA 64 CO -0.12 -2.17 0.40 0.20 0.00 0.00 0.00 175.76 174.07 3mef s GLY 65 N 0.64 1.81 -1.23 0.00 0.00 -1.19 -4.57 107.32 102.78 3mef s GLY 65 Ca 0.24 -1.64 -0.08 0.00 0.00 0.00 0.00 44.72 43.24 3mef s GLY 65 CO -0.09 -1.52 1.08 -2.01 0.00 0.00 0.00 173.10 170.55 3mef n ASN 66 N -1.55 -6.00 -4.77 1.64 2.85 -1.26 0.11 115.26 106.29 3mef n ASN 66 Ca 0.01 -0.49 -0.32 0.00 -0.11 0.00 0.00 54.58 53.67 3mef n ASN 66 Cb 0.59 -4.61 0.08 0.00 1.24 0.00 0.00 39.78 37.08 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 -3.29 3.23 -0.30 3.44 1.01 -1.23 -3.80 120.40 119.46 3mef s VAL 67 Ca 0.53 0.47 -0.15 0.00 0.00 0.00 0.00 61.98 62.83 3mef s VAL 67 Cb -0.24 -2.96 0.16 0.00 0.00 0.00 0.00 36.38 33.34 3mef s VAL 67 CO 0.66 -0.45 0.99 0.28 0.00 0.00 0.00 175.10 176.58 3mef s THR 68 N -2.65 -0.27 0.18 3.92 -1.32 0.16 -3.21 115.64 112.45 3mef s THR 68 Ca 0.64 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.81 3mef s THR 68 Cb -0.19 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.71 3mef s THR 68 CO 0.50 0.00 1.43 -0.94 -2.21 0.00 0.00 174.62 173.40 3mef s SER 69 N 1.93 6.73 0.00 8.08 1.04 -0.96 0.35 113.70 130.87 3mef s SER 69 Ca -0.06 2.51 0.27 0.00 0.48 0.00 0.00 55.95 59.15 3mef s SER 69 Cb -0.05 -2.60 0.74 0.00 0.10 0.00 0.00 66.02 64.20 3mef s SER 69 CO -0.16 -0.68 1.57 0.18 0.98 0.00 0.00 173.24 175.12