#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3efx s PRO 2 N 0.00 2.57 0.04 0.00 0.04 -1.26 -4.93 135.00 131.46 3efx s PRO 2 Ca 0.00 1.72 0.23 0.00 0.04 0.00 0.00 61.00 62.99 3efx s PRO 2 Cb 0.00 -1.89 0.04 0.00 0.04 0.00 0.00 34.50 32.69 3efx s PRO 2 CO 0.00 -1.49 1.02 1.04 0.04 0.00 0.00 177.00 177.61 3efx n GLN 3 N -2.24 0.26 -3.83 4.56 1.13 -1.26 -4.93 117.38 111.07 3efx n GLN 3 Ca 0.13 -0.01 -0.07 0.00 -1.94 0.00 0.00 57.00 55.11 3efx n GLN 3 Cb 0.50 -1.58 0.00 0.00 0.11 0.00 0.00 30.24 29.28 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 -3.82 -0.12 0.35 1.08 2.20 -1.26 -5.06 114.94 108.30 3efx s ASN 4 Ca 0.04 -0.83 0.09 0.00 -0.94 0.00 0.00 52.86 51.21 3efx s ASN 4 Cb 0.15 0.75 0.64 0.00 -2.00 0.00 0.00 41.25 40.79 3efx s ASN 4 CO 0.80 -1.45 1.82 -0.29 -2.94 0.00 0.00 177.10 175.05 3efx h ILE 5 N 2.00 1.24 -0.12 0.54 2.10 -1.96 -1.56 117.51 119.75 3efx h ILE 5 Ca -0.26 -1.13 -0.06 0.00 1.08 0.00 0.00 64.86 64.49 3efx h ILE 5 Cb 1.25 1.45 -0.00 0.00 -1.09 0.00 0.00 36.82 38.43 3efx h ILE 5 CO 0.32 0.34 -0.15 0.74 -1.08 0.00 0.00 178.15 178.32 3efx h THR 6 N 0.19 1.36 -0.69 2.19 2.02 -1.98 0.95 112.91 116.95 3efx h THR 6 Ca 0.03 -1.35 0.01 0.00 0.77 0.00 0.00 66.41 65.87 3efx h THR 6 Cb 0.58 1.98 -0.03 0.00 -1.74 0.00 0.00 68.15 68.94 3efx h THR 6 CO 0.04 0.39 0.46 -0.33 0.37 0.00 0.00 175.52 176.45 3efx h GLU 7 N -0.09 0.91 0.03 6.66 5.08 -1.96 -1.49 114.58 123.72 3efx h GLU 7 Ca 0.02 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3efx h GLU 7 Cb 0.69 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3efx h GLU 7 CO 0.04 0.60 -0.01 1.25 -1.00 0.00 0.00 179.01 179.88 3efx h LEU 8 N 0.94 -0.04 -1.14 1.33 6.46 -1.20 -3.03 115.31 118.62 3efx h LEU 8 Ca 0.26 -0.08 0.08 0.00 -0.12 0.00 0.00 57.88 58.02 3efx h LEU 8 Cb -0.10 0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 39.77 3efx h LEU 8 CO -0.06 0.05 0.59 0.00 -0.62 0.00 0.00 178.44 178.41 3efx h SER 10 N 0.97 0.00 0.00 0.00 0.02 -1.15 -2.61 113.55 110.79 3efx h SER 10 Ca 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 3efx h SER 10 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 3efx h SER 10 CO -0.17 0.00 -0.00 -0.62 -1.14 0.00 0.00 176.83 174.89 3efx n GLU 11 N -2.47 1.26 -4.79 3.45 1.02 -0.67 -4.88 120.64 113.57 3efx n GLU 11 Ca -0.01 -0.40 -0.30 0.00 -0.02 0.00 0.00 57.16 56.43 3efx n GLU 11 Cb 0.09 -1.49 -0.14 0.00 -0.02 0.00 0.00 31.44 29.87 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 -2.01 2.29 0.48 -0.32 1.51 -0.98 -5.12 117.35 113.19 3efx s TYR 12 Ca 0.43 -0.41 -0.20 0.00 -1.01 0.00 0.00 57.07 55.89 3efx s TYR 12 Cb 0.22 -1.35 -0.09 0.00 -0.11 0.00 0.00 41.96 40.63 3efx s TYR 12 CO 0.36 0.17 1.02 -3.38 -1.11 0.00 0.00 175.55 172.60 3efx s HIS 13 N -0.86 3.09 -1.26 2.71 -3.43 -1.26 -4.15 115.29 110.13 3efx s HIS 13 Ca 0.12 1.58 -0.03 0.00 -0.80 0.00 0.00 55.06 55.93 3efx s HIS 13 Cb -0.10 -3.00 0.00 0.00 -1.43 0.00 0.00 32.58 28.05 3efx s HIS 13 CO 0.03 -0.65 0.41 0.09 -2.00 0.00 0.00 174.74 172.62 3efx n ASN 14 N -0.97 -5.14 -4.50 7.38 3.02 -1.26 -4.97 115.26 108.83 3efx n ASN 14 Ca 0.09 -0.20 -0.24 0.00 -0.03 0.00 0.00 54.58 54.20 3efx n ASN 14 Cb 0.53 -4.02 -0.10 0.00 -0.61 0.00 0.00 39.78 35.58 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 -3.01 2.27 0.18 3.41 -4.23 -1.26 -0.77 115.64 112.23 3efx s THR 15 Ca 0.20 -2.28 -0.15 0.00 -1.18 0.00 0.00 61.69 58.28 3efx s THR 15 Cb -0.09 -2.46 0.02 0.00 1.34 0.00 0.00 72.50 71.31 3efx s THR 15 CO 0.25 -0.31 0.45 0.00 -0.54 0.00 0.00 174.62 174.47 3efx s GLN 16 N -3.58 1.28 -0.19 3.99 -2.07 -0.65 -4.85 119.66 113.60 3efx s GLN 16 Ca 0.31 -0.91 -0.12 0.00 -1.82 0.00 0.00 55.36 52.82 3efx s GLN 16 Cb -0.01 0.48 -0.05 0.00 -1.09 0.00 0.00 33.01 32.34 3efx s GLN 16 CO 0.15 -0.52 0.20 0.42 -1.32 0.00 0.00 175.29 174.22 3efx s ILE 17 N -3.88 5.36 -0.21 3.63 -1.09 -1.26 -1.45 121.20 122.30 3efx s ILE 17 Ca 0.10 0.34 -0.09 0.00 -2.23 0.00 0.00 60.65 58.77 3efx s ILE 17 Cb 0.00 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.30 3efx s ILE 17 CO -0.04 0.41 0.10 -0.31 -1.23 0.00 0.00 174.94 173.87 3efx s TYR 18 N 0.49 3.25 -0.43 3.97 1.51 0.01 -4.99 117.35 121.17 3efx s TYR 18 Ca 0.11 0.06 -0.19 0.00 -1.01 0.00 0.00 57.07 56.05 3efx s TYR 18 Cb -0.12 -2.17 0.02 0.00 -0.11 0.00 0.00 41.96 39.58 3efx s TYR 18 CO 0.01 0.06 0.56 0.99 -1.11 0.00 0.00 175.55 176.06 3efx s THR 19 N 0.78 4.93 -0.24 -0.71 2.01 -1.26 -1.27 115.64 119.88 3efx s THR 19 Ca 0.05 -0.05 -0.12 0.00 0.31 0.00 0.00 61.69 61.87 3efx s THR 19 Cb -0.13 -4.14 -0.10 0.00 0.01 0.00 0.00 72.50 68.14 3efx s THR 19 CO 0.02 -0.52 -0.31 -0.38 -0.69 0.00 0.00 174.62 172.74 3efx n ILE 20 N 5.68 1.33 -4.01 1.82 2.08 0.11 -5.00 119.36 121.38 3efx n ILE 20 Ca -0.04 -0.31 -0.36 0.00 0.56 0.00 0.00 62.75 62.60 3efx n ILE 20 Cb 0.48 -1.85 -0.00 0.00 -0.75 0.00 0.00 39.64 37.51 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 -4.09 -2.72 -3.49 4.38 3.02 0.11 -4.97 115.26 107.49 3efx n ASN 21 Ca -0.46 -1.17 -0.14 0.00 -0.03 0.00 0.00 54.58 52.78 3efx n ASN 21 Cb 0.82 -2.33 -0.04 0.00 -0.61 0.00 0.00 39.78 37.62 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 -3.84 -0.57 0.79 6.41 2.15 -0.91 -4.91 116.67 115.79 3efx s ASP 22 Ca 0.30 0.37 -0.11 0.00 0.43 0.00 0.00 52.55 53.55 3efx s ASP 22 Cb -0.14 0.52 0.06 0.00 -0.30 0.00 0.00 42.92 43.06 3efx s ASP 22 CO 0.94 -0.70 1.08 -1.59 -0.17 0.00 0.00 175.17 174.73 3efx s LYS 23 N -2.22 2.18 0.08 4.34 -2.85 -1.26 -0.91 119.74 119.09 3efx s LYS 23 Ca -0.04 0.93 -0.31 0.00 -1.00 0.00 0.00 55.97 55.55 3efx s LYS 23 Cb -0.00 -1.91 -0.06 0.00 -2.06 0.00 0.00 37.83 33.80 3efx s LYS 23 CO -0.00 -1.63 1.27 0.42 0.10 0.00 0.00 175.35 175.50 3efx s ILE 24 N -3.00 3.76 -0.02 3.79 1.01 -1.26 -4.74 121.20 120.74 3efx s ILE 24 Ca 0.61 1.26 -0.22 0.00 0.00 0.00 0.00 60.65 62.30 3efx s ILE 24 Cb -0.16 -3.81 -0.23 0.00 0.01 0.00 0.00 42.46 38.27 3efx s ILE 24 CO 0.56 0.10 1.08 0.25 0.00 0.00 0.00 174.94 176.92 3efx h LEU 25 N 6.81 0.39 -7.99 2.97 5.85 -1.45 -3.47 115.31 118.42 3efx h LEU 25 Ca -0.42 -0.75 -0.15 0.00 0.84 0.00 0.00 57.88 57.40 3efx h LEU 25 Cb 1.21 -0.12 -0.19 0.00 0.37 0.00 0.00 40.66 41.93 3efx h LEU 25 CO 0.83 1.09 -0.63 -0.94 -0.34 0.00 0.00 178.44 178.45 3efx s SER 26 N -6.53 0.25 -0.05 1.25 1.04 -1.17 -4.96 113.70 103.53 3efx s SER 26 Ca -0.14 -0.58 0.01 0.00 0.48 0.00 0.00 55.95 55.72 3efx s SER 26 Cb 0.02 0.16 0.02 0.00 0.10 0.00 0.00 66.02 66.33 3efx s SER 26 CO 0.78 -0.41 -0.04 -0.47 0.98 0.00 0.00 173.24 174.08 3efx s TYR 27 N -2.20 0.73 -0.02 5.02 5.04 -1.26 -1.71 117.35 122.96 3efx s TYR 27 Ca -0.09 -0.20 0.03 0.00 -2.44 0.00 0.00 57.07 54.37 3efx s TYR 27 Cb -0.04 -0.67 -0.00 0.00 0.35 0.00 0.00 41.96 41.60 3efx s TYR 27 CO -0.03 -0.20 -0.11 0.99 -1.34 0.00 0.00 175.55 174.86 3efx s THR 28 N 0.97 0.89 0.04 4.34 2.01 0.76 -4.99 115.64 119.66 3efx s THR 28 Ca -0.10 -0.46 -0.03 0.00 0.31 0.00 0.00 61.69 61.41 3efx s THR 28 Cb -0.14 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.59 3efx s THR 28 CO -0.00 0.26 0.04 -1.83 -0.69 0.00 0.00 174.62 172.39 3efx s GLU 29 N -0.11 0.53 -0.01 4.92 -1.05 -1.26 -0.57 118.70 121.14 3efx s GLU 29 Ca 0.02 -0.83 0.00 0.00 -0.15 0.00 0.00 54.97 54.01 3efx s GLU 29 Cb -0.06 0.20 0.01 0.00 -0.44 0.00 0.00 34.13 33.84 3efx s GLU 29 CO -0.00 -0.11 -0.00 0.45 0.95 0.00 0.00 175.26 176.54 3efx s SER 30 N -2.15 0.20 0.00 0.83 0.15 -0.31 -5.00 113.70 107.41 3efx s SER 30 Ca -0.05 -0.01 0.14 0.00 0.70 0.00 0.00 55.95 56.73 3efx s SER 30 Cb -0.01 -0.07 0.14 0.00 -1.71 0.00 0.00 66.02 64.37 3efx s SER 30 CO -0.05 -0.03 0.99 0.00 1.20 0.00 0.00 173.24 175.35 3efx n LEU 31 N 3.47 2.29 -4.77 3.45 -0.00 -1.26 -3.03 117.00 117.14 3efx n LEU 31 Ca -0.18 -1.10 -0.41 0.00 -0.00 0.00 0.00 56.01 54.32 3efx n LEU 31 Cb 0.56 -0.03 -0.01 0.00 -0.00 0.00 0.00 43.42 43.94 3efx n LEU 31 CO 0.24 0.44 1.15 0.00 -0.00 0.00 0.00 177.39 179.22 3efx s ALA 32 N -1.17 3.61 0.15 1.47 0.00 -1.26 -4.77 121.76 119.79 3efx s ALA 32 Ca 0.18 1.54 -0.34 0.00 0.00 0.00 0.00 51.96 53.34 3efx s ALA 32 Cb 0.12 -3.60 -0.16 0.00 0.00 0.00 0.00 23.12 19.48 3efx s ALA 32 CO 0.18 -0.99 1.22 0.41 0.00 0.00 0.00 175.76 176.58 3efx n GLY 33 N 0.92 0.19 3.78 0.00 0.00 -1.26 -0.76 105.19 108.07 3efx n GLY 33 Ca 0.03 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.62 3efx n GLY 33 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3efx n LYS 34 N 1.98 -0.08 -2.30 1.61 2.85 -1.26 -4.74 118.16 116.21 3efx n LYS 34 Ca 0.16 0.02 -0.17 0.00 -1.05 0.00 0.00 58.31 57.27 3efx n LYS 34 Cb 0.23 -4.19 0.03 0.00 -0.65 0.00 0.00 35.03 30.45 3efx n LYS 34 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3efx n ARG 35 N -1.88 3.00 -2.46 -1.58 5.12 0.06 -4.96 116.66 113.96 3efx n ARG 35 Ca 0.00 -3.98 -0.39 0.00 -1.93 0.00 0.00 57.85 51.56 3efx n ARG 35 Cb 0.02 -2.06 -0.02 0.00 -1.16 0.00 0.00 32.46 29.24 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 -3.64 3.52 0.08 5.56 8.01 -1.14 -4.34 118.70 126.74 3efx s GLU 36 Ca 0.43 -1.35 -0.02 0.00 0.01 0.00 0.00 54.97 54.05 3efx s GLU 36 Cb 0.38 -5.38 -0.04 0.00 -4.31 0.00 0.00 34.13 24.79 3efx s GLU 36 CO 0.00 -2.53 0.01 0.00 0.01 0.00 0.00 175.26 172.76 3efx s MET 37 N 5.07 0.72 0.06 1.61 0.23 -1.17 -4.01 119.30 121.81 3efx s MET 37 Ca 0.54 -1.27 0.08 0.00 -1.03 0.00 0.00 55.69 54.00 3efx s MET 37 Cb 0.01 0.23 -0.03 0.00 -1.53 0.00 0.00 34.83 33.51 3efx s MET 37 CO -0.00 -0.17 -0.21 0.00 -2.03 0.00 0.00 175.02 172.61 3efx s ALA 38 N -3.95 1.82 -0.03 3.16 0.00 -1.20 -1.17 121.76 120.40 3efx s ALA 38 Ca 0.12 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 50.99 3efx s ALA 38 Cb 0.08 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.86 3efx s ALA 38 CO -0.06 0.40 -0.10 0.42 0.00 0.00 0.00 175.76 176.42 3efx s ILE 39 N -0.87 0.86 0.15 0.00 1.01 0.26 -1.35 121.20 121.26 3efx s ILE 39 Ca 0.08 -0.40 0.09 0.00 0.00 0.00 0.00 60.65 60.42 3efx s ILE 39 Cb -0.09 -0.76 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 3efx s ILE 39 CO 0.02 0.26 -0.20 0.27 0.00 0.00 0.00 174.94 175.29 3efx s ILE 40 N 0.16 1.90 0.22 2.92 -4.36 -0.38 -0.17 121.20 121.50 3efx s ILE 40 Ca -0.03 -1.83 0.06 0.00 -0.26 0.00 0.00 60.65 58.60 3efx s ILE 40 Cb -0.09 -1.82 -0.05 0.00 1.25 0.00 0.00 42.46 41.75 3efx s ILE 40 CO 0.01 -0.19 -0.10 0.42 0.24 0.00 0.00 174.94 175.32 3efx s THR 41 N -1.69 1.55 0.19 8.37 -4.23 -0.69 -1.45 115.64 117.68 3efx s THR 41 Ca 0.14 -2.15 0.08 0.00 -1.18 0.00 0.00 61.69 58.58 3efx s THR 41 Cb -0.07 -2.17 -0.04 0.00 1.34 0.00 0.00 72.50 71.55 3efx s THR 41 CO 0.06 -0.50 -0.15 -0.36 -0.54 0.00 0.00 174.62 173.13 3efx s PHE 42 N -3.08 1.71 0.46 3.99 0.40 -0.55 -1.07 117.98 119.83 3efx s PHE 42 Ca 0.24 -0.54 0.19 0.00 -0.60 0.00 0.00 56.93 56.23 3efx s PHE 42 Cb 0.02 -0.82 1.17 0.00 0.51 0.00 0.00 43.02 43.90 3efx s PHE 42 CO 0.08 0.33 1.92 1.57 0.70 0.00 0.00 175.22 179.82 3efx h LYS 43 N 2.84 0.28 0.00 0.44 5.09 -1.89 -0.25 116.57 123.08 3efx h LYS 43 Ca -0.39 -0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.33 3efx h LYS 43 Cb 1.21 -0.06 0.00 0.00 0.10 0.00 0.00 32.23 33.48 3efx h LYS 43 CO 0.58 0.19 0.00 0.27 -2.09 0.00 0.00 179.45 178.40 3efx n ASN 44 N -4.44 0.00 0.00 7.07 0.23 -1.26 -4.84 115.26 112.02 3efx n ASN 44 Ca 0.15 0.14 0.00 0.00 -0.53 0.00 0.00 54.58 54.33 3efx n ASN 44 Cb 0.62 -0.30 0.00 0.00 -2.08 0.00 0.00 39.78 38.02 3efx n ASN 44 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3efx n GLY 45 N -0.25 0.69 3.76 4.83 0.00 -0.11 -5.07 105.19 109.05 3efx n GLY 45 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.05 3.43 -0.08 4.61 0.00 -1.24 -4.89 121.76 121.54 3efx s ALA 46 Ca 0.00 0.96 0.03 0.00 0.00 0.00 0.00 51.96 52.95 3efx s ALA 46 Cb 0.00 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.76 3efx s ALA 46 CO 0.00 -0.27 -0.17 0.99 0.00 0.00 0.00 175.76 176.31 3efx s THR 47 N -0.90 1.51 0.09 0.00 2.01 -1.26 -1.48 115.64 115.60 3efx s THR 47 Ca 0.47 -0.70 0.04 0.00 0.31 0.00 0.00 61.69 61.82 3efx s THR 47 Cb -0.33 -1.34 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 3efx s THR 47 CO 0.42 0.44 -0.12 -0.36 -0.69 0.00 0.00 174.62 174.30 3efx s PHE 48 N 0.53 1.15 0.27 4.92 0.08 -0.53 -3.92 117.98 120.48 3efx s PHE 48 Ca -0.16 -0.55 0.11 0.00 0.12 0.00 0.00 56.93 56.44 3efx s PHE 48 Cb -0.17 -0.63 -0.05 0.00 -0.57 0.00 0.00 43.02 41.60 3efx s PHE 48 CO 0.06 0.04 -0.17 1.14 -0.10 0.00 0.00 175.22 176.19 3efx s GLN 49 N -2.28 1.63 -0.29 0.44 -2.07 -0.19 -1.25 119.66 115.65 3efx s GLN 49 Ca 0.02 -1.76 -0.08 0.00 -1.82 0.00 0.00 55.36 51.72 3efx s GLN 49 Cb -0.06 -1.62 -0.01 0.00 -1.09 0.00 0.00 33.01 30.23 3efx s GLN 49 CO 0.01 0.27 0.10 0.08 -1.32 0.00 0.00 175.29 174.43 3efx s VAL 50 N -2.63 4.24 0.55 3.63 1.01 -0.46 -0.70 120.40 126.04 3efx s VAL 50 Ca 0.29 -0.48 -0.19 0.00 0.00 0.00 0.00 61.98 61.60 3efx s VAL 50 Cb -0.03 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 3efx s VAL 50 CO 0.14 0.14 1.13 -1.61 0.00 0.00 0.00 175.10 174.90 3efx s GLU 51 N 1.56 3.31 0.37 2.72 2.02 -1.26 -3.22 118.70 124.21 3efx s GLU 51 Ca 0.04 1.61 -0.27 0.00 0.02 0.00 0.00 54.97 56.38 3efx s GLU 51 Cb -0.17 -2.00 -0.11 0.00 0.10 0.00 0.00 34.13 31.95 3efx s GLU 51 CO 0.04 -0.89 1.20 1.55 0.02 0.00 0.00 175.26 177.18 3efx n VAL 52 N -1.37 2.23 -1.13 2.63 3.14 -1.26 -4.94 118.33 117.64 3efx n VAL 52 Ca 0.12 -0.50 -0.21 0.00 -2.96 0.00 0.00 64.34 60.79 3efx n VAL 52 Cb 0.51 -1.42 0.17 0.00 -1.06 0.00 0.00 33.84 32.03 3efx n VAL 52 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 3efx n PRO 53 N 0.36 -1.99 0.00 1.45 -0.02 -1.26 -5.10 135.00 128.43 3efx n PRO 53 Ca 0.07 -1.29 0.00 0.00 -2.02 0.00 0.00 63.50 60.25 3efx n PRO 53 Cb 0.37 -1.09 0.00 0.00 -0.02 0.00 0.00 33.50 32.76 3efx n PRO 53 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3efx n GLN 61 N -3.56 0.00 -0.27 -0.52 7.27 -1.26 -5.22 117.38 113.81 3efx n GLN 61 Ca 0.11 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 57.17 3efx n GLN 61 Cb 0.41 0.00 0.11 0.00 2.41 0.00 0.00 30.24 33.17 3efx n GLN 61 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 3efx h LYS 62 N 0.00 0.85 -0.54 3.69 3.64 -2.04 -1.11 116.57 121.06 3efx h LYS 62 Ca 0.00 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.26 3efx h LYS 62 Cb 0.00 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 3efx h LYS 62 CO 0.00 0.56 0.04 0.87 -2.27 0.00 0.00 179.45 178.65 3efx h LYS 63 N 0.88 0.89 -0.17 1.90 1.79 -2.05 -2.76 116.57 117.04 3efx h LYS 63 Ca 0.33 -0.23 -0.12 0.00 -2.18 0.00 0.00 60.65 58.45 3efx h LYS 63 Cb 0.12 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 3efx h LYS 63 CO -0.15 0.86 -0.40 0.00 -1.08 0.00 0.00 179.45 178.68 3efx h ALA 64 N 1.21 1.00 -0.27 3.86 0.00 -1.85 -1.22 119.26 121.99 3efx h ALA 64 Ca 0.16 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3efx h ALA 64 Cb 0.44 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3efx h ALA 64 CO 0.02 0.61 0.10 0.82 0.00 0.00 0.00 179.25 180.80 3efx h ILE 65 N 0.32 1.19 -0.89 0.00 2.04 -1.10 -0.46 117.51 118.60 3efx h ILE 65 Ca 0.03 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.33 3efx h ILE 65 Cb 0.84 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.94 3efx h ILE 65 CO 0.07 0.19 0.58 -0.33 0.00 0.00 0.00 178.15 178.67 3efx h GLU 66 N 0.28 1.13 -0.47 2.37 4.39 -1.37 -1.92 114.58 118.99 3efx h GLU 66 Ca 0.09 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.66 3efx h GLU 66 Cb 0.21 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 3efx h GLU 66 CO -0.01 0.75 0.05 -0.09 -1.16 0.00 0.00 179.01 178.55 3efx h ARG 67 N 1.17 0.80 -0.39 2.33 2.43 -0.98 -1.98 114.38 117.76 3efx h ARG 67 Ca 0.34 -0.23 0.04 0.00 -0.81 0.00 0.00 59.98 59.31 3efx h ARG 67 Cb -0.07 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.35 3efx h ARG 67 CO -0.09 0.83 0.17 1.98 -1.51 0.00 0.00 179.97 181.35 3efx h MET 68 N 0.66 0.34 -0.65 0.20 4.05 -0.77 0.09 114.93 118.87 3efx h MET 68 Ca 0.14 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.53 3efx h MET 68 Cb 0.43 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.12 3efx h MET 68 CO 0.01 0.23 0.35 0.87 0.23 0.00 0.00 176.91 178.60 3efx h LYS 69 N 0.35 0.90 -0.53 0.39 1.57 -1.20 -1.32 116.57 116.73 3efx h LYS 69 Ca 0.17 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 3efx h LYS 69 Cb 0.10 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 3efx h LYS 69 CO -0.14 0.67 0.32 -0.44 -0.57 0.00 0.00 179.45 179.29 3efx h ASP 70 N 0.91 0.52 -0.24 0.86 3.32 -0.52 -1.99 116.42 119.28 3efx h ASP 70 Ca 0.23 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 3efx h ASP 70 Cb 0.03 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3efx h ASP 70 CO -0.04 0.37 0.05 0.74 -1.72 0.00 0.00 179.24 178.64 3efx h THR 71 N 0.64 1.22 -0.45 0.35 2.02 -0.54 -2.33 112.91 113.82 3efx h THR 71 Ca 0.21 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.67 3efx h THR 71 Cb 0.01 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 3efx h THR 71 CO -0.09 0.23 0.28 -0.07 0.37 0.00 0.00 175.52 176.24 3efx h LEU 72 N 0.21 0.52 0.16 2.58 3.38 -1.22 0.92 115.31 121.86 3efx h LEU 72 Ca 0.07 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3efx h LEU 72 Cb 0.30 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3efx h LEU 72 CO 0.00 0.41 -0.27 -0.09 0.09 0.00 0.00 178.44 178.58 3efx h ARG 73 N 0.60 -0.49 -0.29 1.13 2.43 -1.27 0.13 114.38 116.61 3efx h ARG 73 Ca 0.16 0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.26 3efx h ARG 73 Cb -0.03 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3efx h ARG 73 CO -0.03 -0.33 -0.27 0.97 -1.51 0.00 0.00 179.97 178.80 3efx h ILE 74 N -0.51 1.28 -0.24 1.20 6.09 -1.30 -0.77 117.51 123.25 3efx h ILE 74 Ca 0.02 -1.35 0.00 0.00 -1.37 0.00 0.00 64.86 62.16 3efx h ILE 74 Cb 0.52 1.35 -0.01 0.00 0.47 0.00 0.00 36.82 39.14 3efx h ILE 74 CO -0.13 0.44 0.15 0.00 -3.07 0.00 0.00 178.15 175.54 3efx h ALA 75 N 1.19 0.30 0.11 0.18 0.00 -0.73 0.48 119.26 120.79 3efx h ALA 75 Ca 0.07 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3efx h ALA 75 Cb 0.74 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 3efx h ALA 75 CO 0.06 -0.21 -0.29 -0.92 0.00 0.00 0.00 179.25 177.89 3efx h TYR 76 N 0.31 -0.79 -0.14 0.00 3.20 -0.38 -1.15 116.97 118.02 3efx h TYR 76 Ca 0.09 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 3efx h TYR 76 Cb -0.01 0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 3efx h TYR 76 CO -0.05 -0.40 -0.21 -0.07 -1.64 0.00 0.00 178.16 175.79 3efx h LEU 77 N -0.50 0.24 -1.22 2.82 3.38 -1.00 -2.30 115.31 116.74 3efx h LEU 77 Ca 0.03 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3efx h LEU 77 Cb 0.54 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3efx h LEU 77 CO -0.18 0.46 0.00 0.35 0.09 0.00 0.00 178.44 179.17 3efx n THR 78 N -4.20 0.09 -3.42 0.22 -2.24 0.14 -4.95 114.28 99.93 3efx n THR 78 Ca -0.01 -0.34 -0.25 0.00 -2.27 0.00 0.00 64.05 61.18 3efx n THR 78 Cb 0.33 0.62 0.01 0.00 -2.10 0.00 0.00 70.33 69.20 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 0.45 -4.35 -2.00 -0.78 1.02 -0.51 -4.93 120.64 109.55 3efx n GLU 79 Ca 0.18 0.62 -0.42 0.00 -0.02 0.00 0.00 57.16 57.51 3efx n GLU 79 Cb 0.40 -5.41 -0.03 0.00 -0.02 0.00 0.00 31.44 26.37 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 -3.09 3.71 -0.03 0.62 0.00 -0.77 -4.76 121.76 117.45 3efx s ALA 80 Ca 0.45 1.31 -0.30 0.00 0.00 0.00 0.00 51.96 53.42 3efx s ALA 80 Cb -0.22 -3.59 -0.06 0.00 0.00 0.00 0.00 23.12 19.25 3efx s ALA 80 CO 0.55 -0.73 1.58 0.21 0.00 0.00 0.00 175.76 177.36 3efx s LYS 81 N 0.79 4.21 -0.13 0.00 2.20 -1.26 -4.32 119.74 121.22 3efx s LYS 81 Ca 0.66 2.14 -0.22 0.00 -0.36 0.00 0.00 55.97 58.19 3efx s LYS 81 Cb -0.42 -3.81 -0.03 0.00 -1.51 0.00 0.00 37.83 32.06 3efx s LYS 81 CO 0.34 -0.76 0.68 0.08 -0.36 0.00 0.00 175.35 175.33 3efx s VAL 82 N 3.40 5.02 0.00 4.02 1.01 -0.09 -3.95 120.40 129.81 3efx s VAL 82 Ca 0.70 1.34 0.00 0.00 0.00 0.00 0.00 61.98 64.03 3efx s VAL 82 Cb -0.33 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.04 3efx s VAL 82 CO 0.28 0.17 0.00 1.21 0.00 0.00 0.00 175.10 176.77 3efx n GLU 83 N 4.45 0.00 -4.22 2.72 2.13 0.18 -0.72 120.64 125.20 3efx n GLU 83 Ca -0.01 0.45 -0.17 0.00 0.66 0.00 0.00 57.16 58.09 3efx n GLU 83 Cb 0.50 -0.95 -0.11 0.00 0.27 0.00 0.00 31.44 31.16 3efx n GLU 83 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3efx s LYS 84 N -0.98 0.95 -0.06 5.31 1.02 -1.18 0.06 119.74 124.86 3efx s LYS 84 Ca 0.00 -1.18 0.06 0.00 0.02 0.00 0.00 55.97 54.87 3efx s LYS 84 Cb 0.00 -0.80 -0.01 0.00 -0.52 0.00 0.00 37.83 36.50 3efx s LYS 84 CO 0.00 0.15 -0.24 -0.51 -0.92 0.00 0.00 175.35 173.83 3efx s LEU 85 N -2.36 2.12 -0.23 3.17 1.43 -0.40 -0.82 118.68 121.59 3efx s LEU 85 Ca 0.07 -0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 52.54 3efx s LEU 85 Cb -0.05 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 3efx s LEU 85 CO 0.02 0.25 0.32 0.00 0.23 0.00 0.00 176.35 177.17 3efx s VAL 87 N 1.41 0.99 -0.23 0.00 -7.23 -0.53 -0.34 120.40 114.48 3efx s VAL 87 Ca 0.15 -1.11 -0.29 0.00 -1.81 0.00 0.00 61.98 58.91 3efx s VAL 87 Cb -0.15 -0.94 0.01 0.00 0.56 0.00 0.00 36.38 35.86 3efx s VAL 87 CO 0.07 -0.15 1.04 0.26 -0.31 0.00 0.00 175.10 176.01 3efx s TRP 88 N -1.09 3.34 -1.77 2.82 0.51 0.15 -1.63 118.94 121.28 3efx s TRP 88 Ca -0.02 1.47 0.14 0.00 -2.12 0.00 0.00 56.10 55.57 3efx s TRP 88 Cb -0.09 -3.26 0.45 0.00 -0.81 0.00 0.00 33.47 29.76 3efx s TRP 88 CO 0.01 -0.47 1.36 0.27 -0.51 0.00 0.00 176.95 177.61 3efx n ASN 89 N 6.27 2.89 -1.82 2.95 0.23 0.05 -1.74 115.26 124.10 3efx n ASN 89 Ca 0.12 -2.10 0.01 0.00 -0.53 0.00 0.00 54.58 52.08 3efx n ASN 89 Cb 0.46 -0.38 0.34 0.00 -2.08 0.00 0.00 39.78 38.12 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 0.87 5.03 -4.11 0.53 6.94 -1.26 -4.91 115.26 118.36 3efx n ASN 90 Ca 0.17 -3.11 -0.13 0.00 -0.02 0.00 0.00 54.58 51.49 3efx n ASN 90 Cb 0.49 -0.70 -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 -2.90 0.66 -0.09 -3.83 -0.14 -1.25 -5.10 119.74 107.08 3efx s LYS 91 Ca 0.53 -0.95 -0.01 0.00 -1.36 0.00 0.00 55.97 54.19 3efx s LYS 91 Cb 0.42 -0.35 0.03 0.00 -1.68 0.00 0.00 37.83 36.25 3efx s LYS 91 CO 0.14 0.05 -0.05 0.99 -0.76 0.00 0.00 175.35 175.72 3efx s THR 92 N -1.98 0.79 0.91 2.17 2.01 -1.26 -2.72 115.64 115.56 3efx s THR 92 Ca -0.03 -0.14 -0.11 0.00 0.31 0.00 0.00 61.69 61.72 3efx s THR 92 Cb -0.06 -0.85 0.12 0.00 0.01 0.00 0.00 72.50 71.72 3efx s THR 92 CO -0.01 0.33 0.99 -2.65 -0.69 0.00 0.00 174.62 172.59 3efx n PRO 93 N 4.95 -0.37 -1.68 4.92 -0.02 -1.26 -5.08 135.00 136.46 3efx n PRO 93 Ca -0.11 -0.04 -0.40 0.00 -2.02 0.00 0.00 63.50 60.92 3efx n PRO 93 Cb 0.50 -2.27 0.03 0.00 -0.02 0.00 0.00 33.50 31.74 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 -3.52 2.08 -4.58 2.55 5.03 -1.10 -4.51 115.26 111.20 3efx n ASN 94 Ca 0.11 1.02 -0.34 0.00 0.87 0.00 0.00 54.58 56.23 3efx n ASN 94 Cb 0.52 -1.48 -0.11 0.00 -1.02 0.00 0.00 39.78 37.70 3efx n ASN 94 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3efx s SER 95 N -0.77 5.33 -0.04 6.41 0.15 -0.71 -1.02 113.70 123.05 3efx s SER 95 Ca 0.66 0.00 -0.30 0.00 0.70 0.00 0.00 55.95 57.01 3efx s SER 95 Cb -0.48 -1.90 -0.03 0.00 -1.71 0.00 0.00 66.02 61.90 3efx s SER 95 CO 0.54 0.17 1.12 -0.63 1.20 0.00 0.00 173.24 175.64 3efx s ILE 96 N 0.40 4.44 -0.21 6.45 1.01 0.12 0.30 121.20 133.70 3efx s ILE 96 Ca 0.01 1.75 0.11 0.00 0.00 0.00 0.00 60.65 62.51 3efx s ILE 96 Cb -0.13 -4.12 -0.21 0.00 0.01 0.00 0.00 42.46 38.01 3efx s ILE 96 CO 0.01 0.05 -0.05 0.00 0.00 0.00 0.00 174.94 174.95 3efx n ALA 97 N 4.69 1.50 -3.42 9.38 0.00 0.54 -4.86 120.51 128.34 3efx n ALA 97 Ca 0.09 -1.18 -0.16 0.00 0.00 0.00 0.00 53.44 52.19 3efx n ALA 97 Cb 0.48 -0.12 -0.06 0.00 0.00 0.00 0.00 19.45 19.75 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 -2.48 -1.53 0.01 0.00 0.00 -0.86 -4.98 121.76 111.92 3efx s ALA 98 Ca -0.19 0.91 0.02 0.00 0.00 0.00 0.00 51.96 52.69 3efx s ALA 98 Cb 0.07 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.41 3efx s ALA 98 CO 0.70 -0.45 -0.05 -1.50 0.00 0.00 0.00 175.76 174.45 3efx s ILE 99 N -1.90 0.41 0.08 0.00 2.07 -1.26 -0.86 121.20 119.74 3efx s ILE 99 Ca -0.08 -0.41 0.09 0.00 -1.41 0.00 0.00 60.65 58.84 3efx s ILE 99 Cb -0.01 -0.39 -0.03 0.00 0.13 0.00 0.00 42.46 42.17 3efx s ILE 99 CO 0.03 -0.01 -0.22 -0.94 -1.91 0.00 0.00 174.94 171.89 3efx s SER 100 N -0.46 2.71 -0.06 4.50 1.04 0.00 -5.00 113.70 116.44 3efx s SER 100 Ca -0.01 -0.64 0.01 0.00 0.48 0.00 0.00 55.95 55.79 3efx s SER 100 Cb -0.04 -0.19 0.02 0.00 0.10 0.00 0.00 66.02 65.92 3efx s SER 100 CO -0.00 0.13 -0.07 -0.04 0.98 0.00 0.00 173.24 174.24 3efx s MET 101 N -1.66 1.14 0.00 4.02 -1.94 -1.26 -0.64 119.30 118.96 3efx s MET 101 Ca 0.08 -0.20 0.00 0.00 -1.71 0.00 0.00 55.69 53.87 3efx s MET 101 Cb -0.10 -1.08 0.00 0.00 2.01 0.00 0.00 34.83 35.66 3efx s MET 101 CO 0.04 -0.08 0.03 0.00 -0.01 0.00 0.00 175.02 175.00