#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3efx n PRO 2 N 0.00 0.46 0.00 0.00 -0.04 -1.26 -4.93 135.00 129.23 3efx n PRO 2 Ca 0.00 0.22 0.07 0.00 -0.04 0.00 0.00 63.50 63.76 3efx n PRO 2 Cb 0.00 -2.39 -0.03 0.00 -0.04 0.00 0.00 33.50 31.04 3efx n PRO 2 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3efx n GLN 3 N -2.57 1.87 -3.84 0.54 1.13 -1.26 -4.97 117.38 108.28 3efx n GLN 3 Ca 0.14 -0.48 -0.09 0.00 -1.94 0.00 0.00 57.00 54.63 3efx n GLN 3 Cb 0.50 -1.24 -0.04 0.00 0.11 0.00 0.00 30.24 29.57 3efx n GLN 3 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3efx s ASN 4 N -2.07 -0.21 0.42 1.08 2.20 -1.26 -5.06 114.94 110.04 3efx s ASN 4 Ca 0.10 -0.64 0.09 0.00 -0.94 0.00 0.00 52.86 51.47 3efx s ASN 4 Cb 0.12 0.62 0.89 0.00 -2.00 0.00 0.00 41.25 40.87 3efx s ASN 4 CO 0.48 -1.15 2.03 -0.29 -2.94 0.00 0.00 177.10 175.23 3efx h ILE 5 N 2.16 1.11 -0.18 0.54 2.10 -1.96 -2.20 117.51 119.08 3efx h ILE 5 Ca -0.26 -0.31 -0.06 0.00 1.08 0.00 0.00 64.86 65.32 3efx h ILE 5 Cb 1.26 0.73 -0.00 0.00 -1.09 0.00 0.00 36.82 37.71 3efx h ILE 5 CO 0.33 0.12 -0.12 0.74 -1.08 0.00 0.00 178.15 178.14 3efx h THR 6 N 0.42 1.32 -0.66 2.19 2.02 -1.99 -0.76 112.91 115.45 3efx h THR 6 Ca 0.11 -1.23 0.02 0.00 0.77 0.00 0.00 66.41 66.08 3efx h THR 6 Cb 0.05 1.75 -0.04 0.00 -1.74 0.00 0.00 68.15 68.17 3efx h THR 6 CO -0.02 0.37 0.42 -0.33 0.37 0.00 0.00 175.52 176.33 3efx h GLU 7 N 0.06 0.81 -0.08 6.66 5.08 -1.94 -1.14 114.58 124.03 3efx h GLU 7 Ca 0.03 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3efx h GLU 7 Cb 0.63 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3efx h GLU 7 CO 0.03 0.54 0.03 1.25 -1.00 0.00 0.00 179.01 179.86 3efx h LEU 8 N 0.83 0.04 -1.20 1.33 6.46 -1.31 -2.91 115.31 118.55 3efx h LEU 8 Ca 0.26 0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.98 3efx h LEU 8 Cb -0.02 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 39.89 3efx h LEU 8 CO -0.09 0.03 0.11 0.00 -0.62 0.00 0.00 178.44 177.88 3efx n SER 10 N -4.31 0.38 -0.06 0.00 7.64 -0.47 -2.27 113.62 114.54 3efx n SER 10 Ca 0.03 0.61 0.14 0.00 1.01 0.00 0.00 58.87 60.66 3efx n SER 10 Cb 0.20 -0.68 0.64 0.00 -1.01 0.00 0.00 64.21 63.36 3efx n SER 10 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3efx n GLU 11 N -1.94 0.51 -4.30 1.43 1.02 -0.86 -4.89 120.64 111.62 3efx n GLU 11 Ca 0.02 -0.12 -0.29 0.00 -0.02 0.00 0.00 57.16 56.75 3efx n GLU 11 Cb 0.17 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.98 3efx n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3efx s TYR 12 N -2.57 2.55 0.35 -0.32 1.51 -0.96 -5.12 117.35 112.79 3efx s TYR 12 Ca 0.27 -0.25 -0.25 0.00 -1.01 0.00 0.00 57.07 55.82 3efx s TYR 12 Cb 0.20 -1.35 -0.10 0.00 -0.11 0.00 0.00 41.96 40.60 3efx s TYR 12 CO 0.49 0.40 0.95 -1.01 -1.11 0.00 0.00 175.55 175.26 3efx s HIS 13 N -1.18 3.61 -1.04 2.71 3.76 -1.26 -4.18 115.29 117.71 3efx s HIS 13 Ca 0.19 1.75 -0.00 0.00 -0.15 0.00 0.00 55.06 56.84 3efx s HIS 13 Cb -0.10 -2.92 0.00 0.00 1.11 0.00 0.00 32.58 30.67 3efx s HIS 13 CO 0.11 0.12 0.03 0.09 -0.85 0.00 0.00 174.74 174.23 3efx n ASN 14 N 0.31 -3.91 -4.61 1.40 3.02 -1.26 -4.94 115.26 105.27 3efx n ASN 14 Ca 0.03 -0.02 -0.25 0.00 -0.03 0.00 0.00 54.58 54.31 3efx n ASN 14 Cb 0.51 -3.09 -0.09 0.00 -0.61 0.00 0.00 39.78 36.50 3efx n ASN 14 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3efx s THR 15 N -2.63 2.63 0.19 3.41 -4.23 -1.26 -0.15 115.64 113.60 3efx s THR 15 Ca 0.01 -2.01 -0.13 0.00 -1.18 0.00 0.00 61.69 58.38 3efx s THR 15 Cb -0.01 -2.76 0.01 0.00 1.34 0.00 0.00 72.50 71.08 3efx s THR 15 CO 0.02 -0.22 0.42 0.00 -0.54 0.00 0.00 174.62 174.30 3efx s GLN 16 N -3.69 1.31 -0.20 3.99 -2.07 -0.71 -4.89 119.66 113.40 3efx s GLN 16 Ca 0.34 -1.04 -0.08 0.00 -1.82 0.00 0.00 55.36 52.76 3efx s GLN 16 Cb -0.00 0.46 -0.04 0.00 -1.09 0.00 0.00 33.01 32.33 3efx s GLN 16 CO 0.19 -0.53 0.09 0.42 -1.32 0.00 0.00 175.29 174.14 3efx s ILE 17 N -3.93 4.93 -0.22 3.63 -1.09 -1.26 -1.44 121.20 121.82 3efx s ILE 17 Ca 0.14 0.02 -0.11 0.00 -2.23 0.00 0.00 60.65 58.47 3efx s ILE 17 Cb 0.01 -3.25 -0.05 0.00 -1.58 0.00 0.00 42.46 37.59 3efx s ILE 17 CO -0.00 0.43 0.17 -0.31 -1.23 0.00 0.00 174.94 173.99 3efx s TYR 18 N 0.60 3.36 -0.46 3.97 1.51 -0.06 -4.97 117.35 121.31 3efx s TYR 18 Ca 0.05 0.31 -0.17 0.00 -1.01 0.00 0.00 57.07 56.25 3efx s TYR 18 Cb -0.13 -2.24 0.05 0.00 -0.11 0.00 0.00 41.96 39.53 3efx s TYR 18 CO 0.01 0.16 0.46 0.99 -1.11 0.00 0.00 175.55 176.06 3efx s THR 19 N 0.75 5.10 -0.24 -0.71 2.01 -1.26 -1.00 115.64 120.28 3efx s THR 19 Ca 0.09 -0.65 -0.16 0.00 0.31 0.00 0.00 61.69 61.28 3efx s THR 19 Cb -0.13 -4.13 -0.10 0.00 0.01 0.00 0.00 72.50 68.16 3efx s THR 19 CO 0.02 -0.56 -0.31 -0.38 -0.69 0.00 0.00 174.62 172.69 3efx n ILE 20 N 5.38 1.52 -3.92 1.82 2.08 0.29 -5.01 119.36 121.53 3efx n ILE 20 Ca -0.09 -0.17 -0.27 0.00 0.56 0.00 0.00 62.75 62.78 3efx n ILE 20 Cb 0.46 -2.06 -0.01 0.00 -0.75 0.00 0.00 39.64 37.27 3efx n ILE 20 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 3efx n ASN 21 N -4.34 -1.08 -3.51 4.38 3.02 -0.08 -4.97 115.26 108.67 3efx n ASN 21 Ca -0.38 -1.01 -0.16 0.00 -0.03 0.00 0.00 54.58 52.99 3efx n ASN 21 Cb 0.73 -3.07 -0.05 0.00 -0.61 0.00 0.00 39.78 36.78 3efx n ASN 21 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3efx s ASP 22 N -4.23 -0.60 0.76 6.41 2.15 -0.77 -4.90 116.67 115.49 3efx s ASP 22 Ca 0.08 0.45 -0.11 0.00 0.43 0.00 0.00 52.55 53.40 3efx s ASP 22 Cb -0.03 0.54 0.05 0.00 -0.30 0.00 0.00 42.92 43.18 3efx s ASP 22 CO 0.89 -0.71 1.08 -1.59 -0.17 0.00 0.00 175.17 174.66 3efx s LYS 23 N -2.02 2.38 0.12 4.34 -2.85 -1.26 -0.98 119.74 119.47 3efx s LYS 23 Ca -0.07 1.01 -0.30 0.00 -1.00 0.00 0.00 55.97 55.60 3efx s LYS 23 Cb -0.00 -1.92 -0.07 0.00 -2.06 0.00 0.00 37.83 33.77 3efx s LYS 23 CO 0.02 -1.51 1.22 0.42 0.10 0.00 0.00 175.35 175.61 3efx s ILE 24 N -2.98 3.75 -0.07 3.79 1.01 -1.26 -4.73 121.20 120.71 3efx s ILE 24 Ca 0.60 1.34 -0.21 0.00 0.00 0.00 0.00 60.65 62.38 3efx s ILE 24 Cb -0.16 -3.85 -0.30 0.00 0.01 0.00 0.00 42.46 38.16 3efx s ILE 24 CO 0.56 0.15 0.80 0.25 0.00 0.00 0.00 174.94 176.69 3efx h LEU 25 N 6.19 0.43 -8.09 2.97 5.85 -1.22 -3.47 115.31 117.96 3efx h LEU 25 Ca -0.43 -0.92 -0.23 0.00 0.84 0.00 0.00 57.88 57.14 3efx h LEU 25 Cb 1.21 -0.14 -0.21 0.00 0.37 0.00 0.00 40.66 41.89 3efx h LEU 25 CO 0.79 1.44 -0.72 -0.94 -0.34 0.00 0.00 178.44 178.68 3efx s SER 26 N -6.97 0.60 -0.09 1.25 1.04 -1.16 -4.98 113.70 103.39 3efx s SER 26 Ca -0.15 -0.54 0.02 0.00 0.48 0.00 0.00 55.95 55.76 3efx s SER 26 Cb 0.02 0.06 0.01 0.00 0.10 0.00 0.00 66.02 66.21 3efx s SER 26 CO 0.81 -0.25 -0.15 -0.47 0.98 0.00 0.00 173.24 174.16 3efx s TYR 27 N -1.45 1.78 -0.04 5.02 5.04 -1.26 -2.36 117.35 124.07 3efx s TYR 27 Ca -0.12 -0.75 0.04 0.00 -2.44 0.00 0.00 57.07 53.80 3efx s TYR 27 Cb -0.10 -1.29 -0.00 0.00 0.35 0.00 0.00 41.96 40.93 3efx s TYR 27 CO -0.00 -0.38 -0.16 0.99 -1.34 0.00 0.00 175.55 174.66 3efx s THR 28 N 0.79 1.37 0.03 4.34 2.01 -0.21 -5.00 115.64 118.98 3efx s THR 28 Ca -0.11 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.23 3efx s THR 28 Cb -0.16 -1.18 -0.02 0.00 0.01 0.00 0.00 72.50 71.15 3efx s THR 28 CO 0.02 0.40 -0.07 -1.83 -0.69 0.00 0.00 174.62 172.44 3efx s GLU 29 N 0.08 0.51 0.04 4.92 -1.05 -1.26 -1.10 118.70 120.84 3efx s GLU 29 Ca -0.04 -0.66 0.05 0.00 -0.15 0.00 0.00 54.97 54.16 3efx s GLU 29 Cb -0.11 -0.32 -0.02 0.00 -0.44 0.00 0.00 34.13 33.24 3efx s GLU 29 CO 0.02 0.06 -0.14 0.45 0.95 0.00 0.00 175.26 176.61 3efx s SER 30 N -1.32 1.63 0.00 0.83 0.15 -0.77 -5.02 113.70 109.21 3efx s SER 30 Ca -0.08 -0.45 0.10 0.00 0.70 0.00 0.00 55.95 56.23 3efx s SER 30 Cb -0.09 -0.11 0.24 0.00 -1.71 0.00 0.00 66.02 64.36 3efx s SER 30 CO 0.00 0.03 1.15 0.00 1.20 0.00 0.00 173.24 175.63 3efx n LEU 31 N 1.94 2.66 -4.76 3.45 -0.00 -1.26 -3.22 117.00 115.80 3efx n LEU 31 Ca -0.18 -1.77 -0.41 0.00 -0.00 0.00 0.00 56.01 53.66 3efx n LEU 31 Cb 0.55 -0.17 -0.03 0.00 -0.00 0.00 0.00 43.42 43.77 3efx n LEU 31 CO 0.23 0.64 0.92 0.00 -0.00 0.00 0.00 177.39 179.18 3efx s ALA 32 N -0.97 3.47 0.09 1.47 0.00 -1.26 -4.80 121.76 119.75 3efx s ALA 32 Ca 0.20 1.13 -0.35 0.00 0.00 0.00 0.00 51.96 52.94 3efx s ALA 32 Cb 0.11 -3.43 -0.14 0.00 0.00 0.00 0.00 23.12 19.66 3efx s ALA 32 CO 0.15 -0.47 1.61 0.41 0.00 0.00 0.00 175.76 177.45 3efx n GLY 33 N 1.12 1.08 2.90 0.00 0.00 -1.26 -0.31 105.19 108.72 3efx n GLY 33 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.73 3efx n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3efx n LYS 34 N 3.96 -0.49 -2.47 1.61 5.02 -1.26 -4.82 118.16 119.70 3efx n LYS 34 Ca 0.19 0.12 -0.14 0.00 -2.02 0.00 0.00 58.31 56.46 3efx n LYS 34 Cb 0.27 -3.68 0.03 0.00 -0.02 0.00 0.00 35.03 31.63 3efx n LYS 34 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3efx n ARG 35 N -1.56 2.57 -2.76 1.97 5.12 0.57 -4.96 116.66 117.61 3efx n ARG 35 Ca 0.00 -3.86 -0.43 0.00 -1.93 0.00 0.00 57.85 51.63 3efx n ARG 35 Cb 0.12 -1.89 -0.02 0.00 -1.16 0.00 0.00 32.46 29.52 3efx n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3efx s GLU 36 N -3.59 3.75 0.11 5.56 8.01 -1.19 -4.15 118.70 127.21 3efx s GLU 36 Ca 0.39 -1.75 -0.07 0.00 0.01 0.00 0.00 54.97 53.55 3efx s GLU 36 Cb 0.39 -5.18 -0.01 0.00 -4.31 0.00 0.00 34.13 25.01 3efx s GLU 36 CO -0.02 -1.99 0.18 0.00 0.01 0.00 0.00 175.26 173.44 3efx s MET 37 N 3.45 0.93 0.10 1.61 0.23 -1.20 -4.05 119.30 120.37 3efx s MET 37 Ca 0.42 -1.10 0.10 0.00 -1.03 0.00 0.00 55.69 54.08 3efx s MET 37 Cb -0.01 0.33 -0.04 0.00 -1.53 0.00 0.00 34.83 33.58 3efx s MET 37 CO -0.05 -0.30 -0.25 0.00 -2.03 0.00 0.00 175.02 172.39 3efx s ALA 38 N -3.92 2.13 -0.03 3.16 0.00 -1.14 -1.84 121.76 120.11 3efx s ALA 38 Ca 0.11 -1.34 0.03 0.00 0.00 0.00 0.00 51.96 50.76 3efx s ALA 38 Cb 0.05 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.82 3efx s ALA 38 CO -0.06 0.47 -0.12 0.42 0.00 0.00 0.00 175.76 176.47 3efx s ILE 39 N -1.03 1.03 0.13 0.00 1.01 -0.26 -0.82 121.20 121.27 3efx s ILE 39 Ca 0.11 -0.49 0.09 0.00 0.00 0.00 0.00 60.65 60.35 3efx s ILE 39 Cb -0.10 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 3efx s ILE 39 CO 0.05 0.31 -0.21 0.27 0.00 0.00 0.00 174.94 175.36 3efx s ILE 40 N 0.18 1.83 0.22 2.92 -4.36 0.28 -1.04 121.20 121.23 3efx s ILE 40 Ca -0.04 -1.72 0.06 0.00 -0.26 0.00 0.00 60.65 58.68 3efx s ILE 40 Cb -0.10 -1.72 -0.05 0.00 1.25 0.00 0.00 42.46 41.84 3efx s ILE 40 CO 0.01 -0.14 -0.07 0.42 0.24 0.00 0.00 174.94 175.40 3efx s THR 41 N -1.49 1.38 0.18 8.37 -4.23 -1.00 -1.32 115.64 117.53 3efx s THR 41 Ca 0.11 -2.11 0.08 0.00 -1.18 0.00 0.00 61.69 58.59 3efx s THR 41 Cb -0.08 -2.18 -0.04 0.00 1.34 0.00 0.00 72.50 71.53 3efx s THR 41 CO 0.05 -0.48 -0.16 -0.36 -0.54 0.00 0.00 174.62 173.13 3efx s PHE 42 N -3.19 1.75 0.57 3.99 0.40 -0.71 -0.62 117.98 120.16 3efx s PHE 42 Ca 0.24 -0.51 0.29 0.00 -0.60 0.00 0.00 56.93 56.35 3efx s PHE 42 Cb 0.03 -0.85 1.47 0.00 0.51 0.00 0.00 43.02 44.18 3efx s PHE 42 CO 0.07 0.33 1.91 1.57 0.70 0.00 0.00 175.22 179.80 3efx h LYS 43 N 3.00 0.00 0.00 0.44 5.09 -1.90 -1.43 116.57 121.77 3efx h LYS 43 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.34 3efx h LYS 43 Cb 1.21 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.54 3efx h LYS 43 CO 0.55 0.00 0.00 0.27 -2.09 0.00 0.00 179.45 178.18 3efx n ASN 44 N -3.97 0.00 0.00 7.07 6.94 -1.26 -4.88 115.26 119.16 3efx n ASN 44 Ca 0.12 -1.73 0.00 0.00 -0.02 0.00 0.00 54.58 52.94 3efx n ASN 44 Cb 0.75 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.17 3efx n ASN 44 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3efx n GLY 45 N 0.50 0.76 3.75 4.83 0.00 -0.54 -5.05 105.19 109.44 3efx n GLY 45 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3efx n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3efx s ALA 46 N -2.79 3.36 -0.07 4.61 0.00 -1.24 -4.90 121.76 120.72 3efx s ALA 46 Ca 0.00 0.56 0.03 0.00 0.00 0.00 0.00 51.96 52.55 3efx s ALA 46 Cb 0.00 -3.16 0.01 0.00 0.00 0.00 0.00 23.12 19.97 3efx s ALA 46 CO 0.00 0.22 -0.16 0.99 0.00 0.00 0.00 175.76 176.81 3efx s THR 47 N -1.13 1.40 0.05 0.00 2.01 -1.26 -1.73 115.64 114.97 3efx s THR 47 Ca 0.40 -0.64 0.03 0.00 0.31 0.00 0.00 61.69 61.79 3efx s THR 47 Cb -0.25 -1.25 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 3efx s THR 47 CO 0.31 0.41 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.20 3efx s PHE 48 N 0.56 0.81 0.25 4.92 0.08 -0.44 -3.72 117.98 120.44 3efx s PHE 48 Ca -0.16 -0.46 0.11 0.00 0.12 0.00 0.00 56.93 56.54 3efx s PHE 48 Cb -0.16 -0.48 -0.05 0.00 -0.57 0.00 0.00 43.02 41.76 3efx s PHE 48 CO 0.05 -0.04 -0.12 1.14 -0.10 0.00 0.00 175.22 176.15 3efx s GLN 49 N -1.52 1.94 -0.32 0.44 -2.07 -0.50 -0.56 119.66 117.07 3efx s GLN 49 Ca -0.07 -1.54 -0.11 0.00 -1.82 0.00 0.00 55.36 51.82 3efx s GLN 49 Cb -0.09 -1.98 -0.02 0.00 -1.09 0.00 0.00 33.01 29.83 3efx s GLN 49 CO 0.01 0.37 0.20 0.08 -1.32 0.00 0.00 175.29 174.63 3efx s VAL 50 N -2.23 5.07 0.65 3.63 1.01 0.00 -1.15 120.40 127.38 3efx s VAL 50 Ca 0.29 -0.20 -0.18 0.00 0.00 0.00 0.00 61.98 61.89 3efx s VAL 50 Cb -0.06 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 3efx s VAL 50 CO 0.16 0.07 1.29 -1.61 0.00 0.00 0.00 175.10 175.02 3efx s GLU 51 N 1.70 2.55 0.30 2.72 2.02 -1.26 -2.90 118.70 123.82 3efx s GLU 51 Ca 0.06 2.05 -0.30 0.00 0.02 0.00 0.00 54.97 56.80 3efx s GLU 51 Cb -0.17 -1.85 -0.12 0.00 0.10 0.00 0.00 34.13 32.10 3efx s GLU 51 CO 0.09 -1.59 1.60 0.28 0.02 0.00 0.00 175.26 175.66 3efx n VAL 52 N -1.92 1.06 -1.66 2.63 0.31 -1.26 -4.87 118.33 112.63 3efx n VAL 52 Ca 0.16 -0.27 -0.42 0.00 -0.01 0.00 0.00 64.34 63.80 3efx n VAL 52 Cb 0.48 -1.97 -0.03 0.00 -0.91 0.00 0.00 33.84 31.41 3efx n VAL 52 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3efx s PRO 53 N -0.57 3.97 0.00 5.55 0.02 -1.26 -5.02 135.00 137.68 3efx s PRO 53 Ca 0.63 2.52 0.00 0.00 0.02 0.00 0.00 61.00 64.18 3efx s PRO 53 Cb -0.49 -4.20 0.00 0.00 0.02 0.00 0.00 34.50 29.83 3efx s PRO 53 CO 0.49 -1.15 0.00 0.41 -0.33 0.00 0.00 177.00 176.42 3efx n GLY 54 N 4.75 0.00 0.00 0.52 0.00 -1.26 -5.13 105.19 104.07 3efx n GLY 54 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3efx n GLY 54 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3efx n HIS 57 N -2.57 0.00 0.00 1.61 -0.00 -1.26 -5.10 115.22 107.90 3efx n HIS 57 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3efx n HIS 57 Cb 0.30 -0.55 0.00 0.00 -0.00 0.00 0.00 29.99 29.73 3efx n HIS 57 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.34 176.78 3efx n ILE 58 N -1.36 0.00 0.00 1.59 -6.64 -1.26 -5.05 119.36 106.63 3efx n ILE 58 Ca 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.98 3efx n ILE 58 Cb 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.20 3efx n ILE 58 CO 0.00 0.00 0.00 0.47 -1.77 0.00 0.00 176.55 175.25 3efx n ASP 59 N 0.00 0.47 -0.01 7.28 9.92 -1.26 -4.81 116.55 128.14 3efx n ASP 59 Ca 0.00 -0.01 0.10 0.00 -0.53 0.00 0.00 54.79 54.36 3efx n ASP 59 Cb 0.00 0.10 -0.16 0.00 -0.64 0.00 0.00 41.12 40.42 3efx n ASP 59 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 3efx n SER 60 N -0.15 0.16 0.18 -2.24 3.41 -1.26 -4.15 113.62 109.57 3efx n SER 60 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.64 3efx n SER 60 Cb 0.00 1.95 0.40 0.00 -0.26 0.00 0.00 64.21 66.30 3efx n SER 60 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3efx h GLN 61 N 0.00 0.07 -0.37 4.33 4.20 -1.97 -3.28 115.11 118.09 3efx h GLN 61 Ca -0.01 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.73 3efx h GLN 61 Cb 0.99 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.72 3efx h GLN 61 CO 0.00 0.33 0.08 0.87 -0.67 0.00 0.00 178.83 179.44 3efx h LYS 62 N 0.07 0.20 -0.86 1.46 1.79 -1.88 0.12 116.57 117.46 3efx h LYS 62 Ca 0.01 -0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.53 3efx h LYS 62 Cb 0.50 -0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 31.04 3efx h LYS 62 CO 0.04 0.13 0.53 1.57 -1.08 0.00 0.00 179.45 180.64 3efx h LYS 63 N 0.20 0.94 -0.11 3.15 -0.00 -1.83 -2.10 116.57 116.82 3efx h LYS 63 Ca 0.17 -0.06 -0.19 0.00 -0.00 0.00 0.00 60.65 60.58 3efx h LYS 63 Cb 0.20 -0.21 -0.00 0.00 -0.00 0.00 0.00 32.23 32.22 3efx h LYS 63 CO -0.23 0.62 -0.72 0.00 -0.00 0.00 0.00 179.45 179.12 3efx h ALA 64 N 1.41 0.54 -0.31 0.07 0.00 -1.39 0.01 119.26 119.58 3efx h ALA 64 Ca 0.38 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3efx h ALA 64 Cb 0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3efx h ALA 64 CO -0.18 0.73 0.20 0.82 0.00 0.00 0.00 179.25 180.83 3efx h ILE 65 N 0.36 1.09 -0.66 0.00 2.04 -0.58 -0.87 117.51 118.90 3efx h ILE 65 Ca -0.03 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 3efx h ILE 65 Cb 1.30 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 3efx h ILE 65 CO 0.13 0.09 0.31 -0.33 0.00 0.00 0.00 178.15 178.35 3efx h GLU 66 N 0.42 0.95 -0.77 2.37 4.39 -1.13 -2.59 114.58 118.21 3efx h GLU 66 Ca 0.11 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 3efx h GLU 66 Cb -0.03 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.42 3efx h GLU 66 CO -0.02 0.76 0.44 -0.09 -1.16 0.00 0.00 179.01 178.94 3efx h ARG 67 N 0.91 1.06 -0.88 2.33 2.43 -0.86 -2.32 114.38 117.06 3efx h ARG 67 Ca 0.22 -0.11 0.02 0.00 -0.81 0.00 0.00 59.98 59.30 3efx h ARG 67 Cb 0.13 -0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 29.42 3efx h ARG 67 CO -0.03 0.78 0.58 1.98 -1.51 0.00 0.00 179.97 181.77 3efx h MET 68 N 1.06 1.13 -0.43 0.20 4.05 -0.79 -0.66 114.93 119.49 3efx h MET 68 Ca 0.27 -0.07 -0.09 0.00 -0.28 0.00 0.00 59.70 59.53 3efx h MET 68 Cb 0.01 -0.25 -0.01 0.00 -0.80 0.00 0.00 31.60 30.54 3efx h MET 68 CO -0.05 0.75 -0.10 0.87 0.23 0.00 0.00 176.91 178.61 3efx h LYS 69 N 1.16 0.83 -0.67 0.39 1.57 -1.32 -0.34 116.57 118.18 3efx h LYS 69 Ca 0.33 -0.32 0.10 0.00 -1.87 0.00 0.00 60.65 58.89 3efx h LYS 69 Cb -0.09 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.09 3efx h LYS 69 CO -0.08 0.94 0.30 -0.44 -0.57 0.00 0.00 179.45 179.60 3efx h ASP 70 N 0.66 0.35 -0.43 0.86 3.32 -1.08 -1.41 116.42 118.69 3efx h ASP 70 Ca 0.11 0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 3efx h ASP 70 Cb 0.63 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 3efx h ASP 70 CO 0.04 0.20 0.08 0.74 -1.72 0.00 0.00 179.24 178.57 3efx h THR 71 N 0.51 1.24 -0.46 0.35 2.02 -0.51 -1.81 112.91 114.25 3efx h THR 71 Ca 0.34 -0.87 -0.08 0.00 0.77 0.00 0.00 66.41 66.57 3efx h THR 71 Cb 0.40 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 3efx h THR 71 CO -0.30 0.30 -0.03 -0.07 0.37 0.00 0.00 175.52 175.80 3efx h LEU 72 N 0.56 0.82 0.03 2.58 3.38 -0.84 0.87 115.31 122.71 3efx h LEU 72 Ca 0.13 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.80 3efx h LEU 72 Cb 0.37 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3efx h LEU 72 CO 0.01 0.94 -0.13 -0.09 0.09 0.00 0.00 178.44 179.26 3efx h ARG 73 N 0.67 -0.22 -0.35 1.13 2.43 -1.18 -0.58 114.38 116.27 3efx h ARG 73 Ca 0.13 0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.19 3efx h ARG 73 Cb 0.54 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 3efx h ARG 73 CO 0.03 -0.15 -0.29 0.97 -1.51 0.00 0.00 179.97 179.02 3efx h ILE 74 N -0.23 1.28 -0.43 1.20 6.09 -1.16 -1.12 117.51 123.14 3efx h ILE 74 Ca 0.04 -1.42 0.08 0.00 -1.37 0.00 0.00 64.86 62.18 3efx h ILE 74 Cb 0.28 1.32 -0.07 0.00 0.47 0.00 0.00 36.82 38.82 3efx h ILE 74 CO -0.11 0.47 0.00 0.00 -3.07 0.00 0.00 178.15 175.44 3efx h ALA 75 N 1.04 0.40 0.00 0.18 0.00 -0.74 -0.56 119.26 119.58 3efx h ALA 75 Ca 0.08 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3efx h ALA 75 Cb 0.81 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3efx h ALA 75 CO 0.07 -0.39 -0.00 -0.92 0.00 0.00 0.00 179.25 178.01 3efx h TYR 76 N 0.11 -0.00 -0.23 0.00 3.20 -0.84 -0.46 116.97 118.75 3efx h TYR 76 Ca 0.21 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 3efx h TYR 76 Cb 0.30 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 3efx h TYR 76 CO -0.28 0.20 0.02 -0.07 -1.64 0.00 0.00 178.16 176.39 3efx h LEU 77 N -0.21 0.30 -1.39 2.82 3.38 -0.98 -2.22 115.31 117.02 3efx h LEU 77 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3efx h LEU 77 Cb 0.21 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3efx h LEU 77 CO 0.00 0.35 -0.02 0.35 0.09 0.00 0.00 178.44 179.21 3efx n THR 78 N -4.37 0.00 -3.28 0.22 -2.24 -0.24 -4.95 114.28 99.42 3efx n THR 78 Ca 0.00 -0.36 -0.24 0.00 -2.27 0.00 0.00 64.05 61.19 3efx n THR 78 Cb 0.18 0.97 0.04 0.00 -2.10 0.00 0.00 70.33 69.42 3efx n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3efx n GLU 79 N 0.69 -5.60 -2.02 -0.78 1.02 -0.49 -4.93 120.64 108.53 3efx n GLU 79 Ca 0.16 0.82 -0.42 0.00 -0.02 0.00 0.00 57.16 57.70 3efx n GLU 79 Cb 0.47 -5.72 -0.03 0.00 -0.02 0.00 0.00 31.44 26.14 3efx n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3efx s ALA 80 N -3.20 3.69 -0.00 0.62 0.00 -0.30 -4.77 121.76 117.80 3efx s ALA 80 Ca 0.42 1.24 -0.30 0.00 0.00 0.00 0.00 51.96 53.31 3efx s ALA 80 Cb -0.19 -3.61 -0.06 0.00 0.00 0.00 0.00 23.12 19.26 3efx s ALA 80 CO 0.52 -0.79 1.56 0.21 0.00 0.00 0.00 175.76 177.25 3efx s LYS 81 N 1.45 4.22 -0.11 0.00 2.20 -1.26 -4.24 119.74 122.00 3efx s LYS 81 Ca 0.69 2.14 -0.23 0.00 -0.36 0.00 0.00 55.97 58.21 3efx s LYS 81 Cb -0.40 -3.72 -0.03 0.00 -1.51 0.00 0.00 37.83 32.17 3efx s LYS 81 CO 0.31 -0.72 0.69 0.08 -0.36 0.00 0.00 175.35 175.36 3efx s VAL 82 N 3.02 5.03 -0.08 4.02 1.01 -0.15 -3.41 120.40 129.83 3efx s VAL 82 Ca 0.70 1.39 -0.04 0.00 0.00 0.00 0.00 61.98 64.03 3efx s VAL 82 Cb -0.34 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 3efx s VAL 82 CO 0.29 0.20 -0.09 -0.08 0.00 0.00 0.00 175.10 175.42 3efx h GLU 83 N 6.97 0.00 -4.78 2.72 4.81 -0.62 0.00 114.58 123.69 3efx h GLU 83 Ca -0.38 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.56 3efx h GLU 83 Cb 1.18 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.37 3efx h GLU 83 CO 0.77 0.00 -0.73 0.15 -0.73 0.00 0.00 179.01 178.47 3efx s LYS 84 N -1.68 0.71 -0.04 1.92 1.02 -1.14 -0.55 119.74 119.98 3efx s LYS 84 Ca -0.07 -1.01 0.05 0.00 0.02 0.00 0.00 55.97 54.96 3efx s LYS 84 Cb 0.01 -0.40 -0.01 0.00 -0.52 0.00 0.00 37.83 36.91 3efx s LYS 84 CO 0.10 0.06 -0.18 -0.51 -0.92 0.00 0.00 175.35 173.90 3efx s LEU 85 N -2.14 1.95 -0.28 3.17 1.43 -0.17 -0.97 118.68 121.66 3efx s LEU 85 Ca -0.00 -0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 52.61 3efx s LEU 85 Cb -0.05 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.11 3efx s LEU 85 CO -0.01 0.17 0.24 0.00 0.23 0.00 0.00 176.35 176.99 3efx s VAL 87 N 1.83 1.46 0.00 0.00 -7.23 -0.52 -0.38 120.40 115.56 3efx s VAL 87 Ca 0.09 -1.30 -0.30 0.00 -1.81 0.00 0.00 61.98 58.66 3efx s VAL 87 Cb -0.16 -1.32 -0.04 0.00 0.56 0.00 0.00 36.38 35.42 3efx s VAL 87 CO 0.11 -0.01 1.10 0.26 -0.31 0.00 0.00 175.10 176.24 3efx s TRP 88 N -1.03 3.48 -1.88 2.82 0.51 0.55 -1.73 118.94 121.66 3efx s TRP 88 Ca 0.04 1.46 0.20 0.00 -2.12 0.00 0.00 56.10 55.68 3efx s TRP 88 Cb -0.09 -3.29 0.49 0.00 -0.81 0.00 0.00 33.47 29.77 3efx s TRP 88 CO 0.03 -0.71 1.41 0.27 -0.51 0.00 0.00 176.95 177.44 3efx n ASN 89 N 4.25 3.52 -2.02 2.95 0.23 0.79 -2.13 115.26 122.86 3efx n ASN 89 Ca 0.08 -1.97 -0.19 0.00 -0.53 0.00 0.00 54.58 51.97 3efx n ASN 89 Cb 0.48 -0.35 0.16 0.00 -2.08 0.00 0.00 39.78 38.00 3efx n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 3efx n ASN 90 N 1.33 3.70 -4.08 0.53 6.94 -1.26 -4.89 115.26 117.54 3efx n ASN 90 Ca 0.20 -3.33 -0.11 0.00 -0.02 0.00 0.00 54.58 51.32 3efx n ASN 90 Cb 0.56 -0.78 -0.11 0.00 -2.36 0.00 0.00 39.78 37.10 3efx n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3efx s LYS 91 N -2.76 0.58 -0.05 -3.83 -0.14 -1.25 -5.07 119.74 107.21 3efx s LYS 91 Ca 0.48 -0.94 -0.00 0.00 -1.36 0.00 0.00 55.97 54.15 3efx s LYS 91 Cb 0.40 -0.13 0.03 0.00 -1.68 0.00 0.00 37.83 36.45 3efx s LYS 91 CO 0.09 -0.01 0.00 -0.08 -0.76 0.00 0.00 175.35 174.60 3efx s THR 92 N -2.31 0.25 0.84 2.17 -1.32 -1.26 -2.95 115.64 111.05 3efx s THR 92 Ca -0.03 0.12 -0.13 0.00 -1.21 0.00 0.00 61.69 60.43 3efx s THR 92 Cb -0.04 -0.38 0.08 0.00 -1.51 0.00 0.00 72.50 70.65 3efx s THR 92 CO -0.03 0.20 1.03 -2.65 -2.21 0.00 0.00 174.62 170.96 3efx n PRO 93 N 4.61 0.03 -1.64 7.08 -0.02 -1.26 -5.06 135.00 138.74 3efx n PRO 93 Ca -0.17 0.08 -0.42 0.00 -2.02 0.00 0.00 63.50 60.97 3efx n PRO 93 Cb 0.50 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3efx n PRO 93 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3efx n ASN 94 N -2.89 1.86 -4.70 2.55 3.02 -1.15 -4.43 115.26 109.51 3efx n ASN 94 Ca 0.12 1.12 -0.38 0.00 -0.03 0.00 0.00 54.58 55.42 3efx n ASN 94 Cb 0.51 -1.40 -0.07 0.00 -0.61 0.00 0.00 39.78 38.21 3efx n ASN 94 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3efx s SER 95 N -0.56 6.52 -0.15 6.41 0.15 -0.91 -1.41 113.70 123.76 3efx s SER 95 Ca 0.60 0.62 -0.29 0.00 0.70 0.00 0.00 55.95 57.57 3efx s SER 95 Cb -0.58 -2.24 -0.02 0.00 -1.71 0.00 0.00 66.02 61.47 3efx s SER 95 CO 0.59 -0.01 1.25 -0.63 1.20 0.00 0.00 173.24 175.63 3efx s ILE 96 N 0.90 4.28 -0.17 6.45 1.01 -0.30 -0.33 121.20 133.04 3efx s ILE 96 Ca 0.21 1.56 0.08 0.00 0.00 0.00 0.00 60.65 62.50 3efx s ILE 96 Cb -0.14 -4.01 -0.23 0.00 0.01 0.00 0.00 42.46 38.09 3efx s ILE 96 CO 0.08 -0.11 0.17 0.00 0.00 0.00 0.00 174.94 175.08 3efx n ALA 97 N 6.34 1.36 -3.42 9.38 0.00 0.49 -4.87 120.51 129.79 3efx n ALA 97 Ca 0.13 -1.01 -0.15 0.00 0.00 0.00 0.00 53.44 52.41 3efx n ALA 97 Cb 0.45 -0.40 -0.05 0.00 0.00 0.00 0.00 19.45 19.46 3efx n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3efx s ALA 98 N -2.53 -1.58 0.01 0.00 0.00 -0.94 -4.99 121.76 111.73 3efx s ALA 98 Ca -0.18 0.84 0.02 0.00 0.00 0.00 0.00 51.96 52.64 3efx s ALA 98 Cb 0.07 0.39 -0.01 0.00 0.00 0.00 0.00 23.12 23.58 3efx s ALA 98 CO 0.75 -0.53 -0.06 -1.50 0.00 0.00 0.00 175.76 174.42 3efx s ILE 99 N -2.36 0.42 0.03 0.00 2.07 -1.26 -0.53 121.20 119.57 3efx s ILE 99 Ca -0.06 -0.41 0.07 0.00 -1.41 0.00 0.00 60.65 58.85 3efx s ILE 99 Cb -0.01 -0.39 -0.02 0.00 0.13 0.00 0.00 42.46 42.17 3efx s ILE 99 CO -0.01 -0.00 -0.22 -0.94 -1.91 0.00 0.00 174.94 171.86 3efx s SER 100 N -0.46 2.58 -0.06 4.50 1.04 -0.14 -5.00 113.70 116.16 3efx s SER 100 Ca -0.01 -0.50 0.03 0.00 0.48 0.00 0.00 55.95 55.95 3efx s SER 100 Cb -0.04 -0.23 0.01 0.00 0.10 0.00 0.00 66.02 65.86 3efx s SER 100 CO -0.00 0.20 -0.14 -0.04 0.98 0.00 0.00 173.24 174.23 3efx s MET 101 N -1.04 1.73 0.00 4.02 -1.94 -1.26 0.08 119.30 120.89 3efx s MET 101 Ca 0.08 -0.50 0.00 0.00 -1.71 0.00 0.00 55.69 53.56 3efx s MET 101 Cb -0.09 -1.45 0.00 0.00 2.01 0.00 0.00 34.83 35.30 3efx s MET 101 CO 0.01 0.12 0.00 0.00 -0.01 0.00 0.00 175.02 175.14