#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 1.01 -0.01 0.00 -0.02 -1.26 -4.95 135.00 129.77 3efx n PRO 2 Ca 0.00 0.39 0.01 0.00 -2.02 0.00 0.00 63.50 61.88 3efx n PRO 2 Cb 0.00 -2.25 0.01 0.00 -0.02 0.00 0.00 33.50 31.24 3efx n PRO 2 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3efx n GLN 3 N -1.09 0.45 -3.46 -0.52 6.02 -1.26 -4.97 117.38 112.55 3efx n GLN 3 Ca 0.14 -0.92 -0.11 0.00 -0.01 0.00 0.00 57.00 56.09 3efx n GLN 3 Cb 0.47 -1.04 -0.02 0.00 1.02 0.00 0.00 30.24 30.67 3efx n GLN 3 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3efx s ASN 4 N -0.42 -0.54 0.41 1.08 2.20 -1.26 -5.06 114.94 111.34 3efx s ASN 4 Ca 0.03 -0.06 0.08 0.00 -0.94 0.00 0.00 52.86 51.97 3efx s ASN 4 Cb 0.02 0.61 0.85 0.00 -2.00 0.00 0.00 41.25 40.73 3efx s ASN 4 CO 0.02 -1.00 2.01 -0.29 -2.94 0.00 0.00 177.10 174.90 3efx h ILE 5 N 2.00 1.12 -0.24 0.54 2.10 -1.96 -1.61 117.51 119.46 3efx h ILE 5 Ca -0.32 -0.40 -0.05 0.00 1.08 0.00 0.00 64.86 65.17 3efx h ILE 5 Cb 1.30 0.80 -0.01 0.00 -1.09 0.00 0.00 36.82 37.82 3efx h ILE 5 CO 0.36 0.15 -0.06 0.74 -1.08 0.00 0.00 178.15 178.26 3efx h THR 6 N 0.40 1.28 -0.25 2.19 2.02 -1.99 -0.48 112.91 116.10 3efx h THR 6 Ca 0.10 -1.06 -0.01 0.00 0.77 0.00 0.00 66.41 66.21 3efx h THR 6 Cb 0.11 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 3efx h THR 6 CO -0.01 0.33 0.12 -0.08 0.37 0.00 0.00 175.52 176.25 3efx h GLU 7 N 0.20 0.35 -0.28 6.66 4.81 -1.93 -2.50 114.58 121.89 3efx h GLU 7 Ca 0.06 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.29 3efx h GLU 7 Cb 0.52 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.79 3efx h GLU 7 CO 0.02 0.35 0.00 1.25 -0.73 0.00 0.00 179.01 179.91 3efx h LEU 8 N 0.27 -0.11 -0.86 1.64 6.46 -1.26 -2.67 115.31 118.78 3efx h LEU 8 Ca 0.08 0.06 0.04 0.00 -0.12 0.00 0.00 57.88 57.94 3efx h LEU 8 Cb 0.12 0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 40.10 3efx h LEU 8 CO -0.01 -0.02 0.55 0.00 -0.62 0.00 0.00 178.44 178.34 3efx h SER 10 N 1.06 0.00 0.10 0.00 0.02 -1.09 -2.05 113.55 111.59 3efx h SER 10 Ca 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 3efx h SER 10 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 3efx h SER 10 CO -0.12 0.00 -0.01 -0.62 -1.14 0.00 0.00 176.83 174.94 3efx n GLU 11 N -2.79 1.00 -4.38 3.45 1.02 -0.48 -4.82 120.64 113.63 3efx n GLU 11 Ca -0.02 -0.16 -0.29 0.00 -0.02 0.00 0.00 57.16 56.68 3efx n GLU 11 Cb 0.10 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.90 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 -2.11 2.35 0.20 -0.32 1.51 -0.77 -5.14 117.35 113.08 3efx s TYR 12 Ca 0.43 -0.35 -0.04 0.00 -1.01 0.00 0.00 57.07 56.09 3efx s TYR 12 Cb 0.21 -1.24 -0.05 0.00 -0.11 0.00 0.00 41.96 40.77 3efx s TYR 12 CO 0.38 0.39 0.44 -1.01 -1.11 0.00 0.00 175.55 174.64 3efx s HIS 13 N -1.23 3.47 -1.44 2.71 3.76 -1.26 -4.32 115.29 116.99 3efx s HIS 13 Ca 0.16 0.54 -0.05 0.00 -0.15 0.00 0.00 55.06 55.57 3efx s HIS 13 Cb -0.10 -2.00 0.01 0.00 1.11 0.00 0.00 32.58 31.59 3efx s HIS 13 CO 0.08 0.34 0.61 0.09 -0.85 0.00 0.00 174.74 175.01 3efx n ASN 14 N -0.40 -5.86 -4.60 1.40 3.02 -1.26 -4.98 115.26 102.59 3efx n ASN 14 Ca -0.03 -0.28 -0.25 0.00 -0.03 0.00 0.00 54.58 53.99 3efx n ASN 14 Cb 0.53 -4.67 -0.09 0.00 -0.61 0.00 0.00 39.78 34.94 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 -3.15 2.60 0.12 3.41 -4.23 -1.26 -1.52 115.64 111.60 3efx s THR 15 Ca 0.30 -2.06 -0.15 0.00 -1.18 0.00 0.00 61.69 58.60 3efx s THR 15 Cb -0.13 -2.72 0.03 0.00 1.34 0.00 0.00 72.50 71.02 3efx s THR 15 CO 0.37 -0.24 0.38 0.00 -0.54 0.00 0.00 174.62 174.60 3efx s GLN 16 N -3.67 1.04 -0.07 3.99 -2.07 -0.44 -4.86 119.66 113.57 3efx s GLN 16 Ca 0.34 -0.71 -0.18 0.00 -1.82 0.00 0.00 55.36 52.99 3efx s GLN 16 Cb -0.01 0.45 -0.05 0.00 -1.09 0.00 0.00 33.01 32.32 3efx s GLN 16 CO 0.18 -0.40 0.49 0.42 -1.32 0.00 0.00 175.29 174.67 3efx s ILE 17 N -3.72 5.10 -0.21 3.63 -1.09 -1.26 -1.33 121.20 122.31 3efx s ILE 17 Ca 0.03 0.99 -0.08 0.00 -2.23 0.00 0.00 60.65 59.36 3efx s ILE 17 Cb 0.02 -3.82 -0.04 0.00 -1.58 0.00 0.00 42.46 37.04 3efx s ILE 17 CO -0.11 0.39 0.08 -0.31 -1.23 0.00 0.00 174.94 173.76 3efx s TYR 18 N 0.15 3.19 -0.36 3.97 1.51 -0.28 -5.00 117.35 120.53 3efx s TYR 18 Ca 0.27 -0.08 -0.19 0.00 -1.01 0.00 0.00 57.07 56.05 3efx s TYR 18 Cb -0.16 -2.16 0.00 0.00 -0.11 0.00 0.00 41.96 39.53 3efx s TYR 18 CO 0.12 -0.05 0.58 0.99 -1.11 0.00 0.00 175.55 176.08 3efx s THR 19 N 0.93 4.94 -0.23 -0.71 2.01 -1.26 -1.45 115.64 119.88 3efx s THR 19 Ca 0.04 0.42 -0.14 0.00 0.31 0.00 0.00 61.69 62.32 3efx s THR 19 Cb -0.14 -4.04 -0.09 0.00 0.01 0.00 0.00 72.50 68.24 3efx s THR 19 CO 0.03 -0.30 -0.33 -0.38 -0.69 0.00 0.00 174.62 172.95 3efx n ILE 20 N 5.54 1.43 -4.02 1.82 2.08 0.50 -5.01 119.36 121.70 3efx n ILE 20 Ca -0.03 -0.20 -0.34 0.00 0.56 0.00 0.00 62.75 62.74 3efx n ILE 20 Cb 0.49 -1.98 -0.02 0.00 -0.75 0.00 0.00 39.64 37.38 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 -4.22 -2.02 -3.50 4.38 3.02 0.54 -4.97 115.26 108.50 3efx n ASN 21 Ca -0.39 -1.16 -0.14 0.00 -0.03 0.00 0.00 54.58 52.86 3efx n ASN 21 Cb 0.74 -2.38 -0.04 0.00 -0.61 0.00 0.00 39.78 37.49 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 -3.97 -0.56 0.73 6.41 2.15 -0.80 -4.89 116.67 115.74 3efx s ASP 22 Ca 0.23 0.40 -0.11 0.00 0.43 0.00 0.00 52.55 53.49 3efx s ASP 22 Cb -0.11 0.50 0.03 0.00 -0.30 0.00 0.00 42.92 43.05 3efx s ASP 22 CO 0.93 -0.67 1.08 -1.59 -0.17 0.00 0.00 175.17 174.76 3efx s LYS 23 N -2.09 2.56 0.14 4.34 -2.85 -1.26 -0.85 119.74 119.73 3efx s LYS 23 Ca -0.05 1.11 -0.30 0.00 -1.00 0.00 0.00 55.97 55.74 3efx s LYS 23 Cb -0.00 -1.94 -0.08 0.00 -2.06 0.00 0.00 37.83 33.75 3efx s LYS 23 CO 0.00 -1.41 1.27 0.42 0.10 0.00 0.00 175.35 175.73 3efx s ILE 24 N -2.89 3.54 0.02 3.79 1.01 -1.26 -4.72 121.20 120.69 3efx s ILE 24 Ca 0.61 1.19 -0.17 0.00 0.00 0.00 0.00 60.65 62.27 3efx s ILE 24 Cb -0.16 -3.76 -0.28 0.00 0.01 0.00 0.00 42.46 38.27 3efx s ILE 24 CO 0.54 0.14 1.07 0.25 0.00 0.00 0.00 174.94 176.94 3efx h LEU 25 N 5.99 0.72 -7.64 2.97 5.85 -1.16 -3.47 115.31 118.56 3efx h LEU 25 Ca -0.43 -0.83 -0.14 0.00 0.84 0.00 0.00 57.88 57.32 3efx h LEU 25 Cb 1.21 -0.23 -0.21 0.00 0.37 0.00 0.00 40.66 41.81 3efx h LEU 25 CO 0.79 1.47 -0.42 -0.94 -0.34 0.00 0.00 178.44 179.00 3efx s SER 26 N -7.16 -0.08 -0.09 1.25 1.04 -1.19 -4.97 113.70 102.51 3efx s SER 26 Ca -0.11 -0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.31 3efx s SER 26 Cb 0.04 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.46 3efx s SER 26 CO 0.89 -0.34 -0.11 -0.47 0.98 0.00 0.00 173.24 174.18 3efx s TYR 27 N -1.12 1.52 0.00 5.02 5.04 -1.26 -2.00 117.35 124.55 3efx s TYR 27 Ca -0.12 -0.66 0.06 0.00 -2.44 0.00 0.00 57.07 53.91 3efx s TYR 27 Cb -0.06 -1.17 -0.02 0.00 0.35 0.00 0.00 41.96 41.06 3efx s TYR 27 CO 0.02 -0.39 -0.19 0.99 -1.34 0.00 0.00 175.55 174.64 3efx s THR 28 N 1.09 1.52 -0.02 4.34 2.01 -0.35 -5.00 115.64 119.23 3efx s THR 28 Ca -0.06 -0.93 -0.07 0.00 0.31 0.00 0.00 61.69 60.94 3efx s THR 28 Cb -0.14 -1.28 0.01 0.00 0.01 0.00 0.00 72.50 71.09 3efx s THR 28 CO -0.02 0.34 0.15 -1.83 -0.69 0.00 0.00 174.62 172.57 3efx s GLU 29 N -0.69 0.40 -0.02 4.92 -1.05 -1.26 -1.05 118.70 119.96 3efx s GLU 29 Ca 0.07 -0.21 0.04 0.00 -0.15 0.00 0.00 54.97 54.72 3efx s GLU 29 Cb -0.08 0.17 -0.01 0.00 -0.44 0.00 0.00 34.13 33.77 3efx s GLU 29 CO 0.00 -0.09 -0.13 0.45 0.95 0.00 0.00 175.26 176.44 3efx s SER 30 N -0.95 1.59 0.00 0.83 0.15 -0.66 -5.02 113.70 109.64 3efx s SER 30 Ca -0.10 -0.25 0.20 0.00 0.70 0.00 0.00 55.95 56.50 3efx s SER 30 Cb -0.06 -0.23 0.42 0.00 -1.71 0.00 0.00 66.02 64.44 3efx s SER 30 CO 0.01 0.15 1.35 0.00 1.20 0.00 0.00 173.24 175.96 3efx n LEU 31 N 2.85 3.34 -4.76 3.45 -0.00 -1.26 -3.61 117.00 117.00 3efx n LEU 31 Ca -0.15 -1.66 -0.39 0.00 -0.00 0.00 0.00 56.01 53.81 3efx n LEU 31 Cb 0.55 -0.28 -0.04 0.00 -0.00 0.00 0.00 43.42 43.66 3efx n LEU 31 CO 0.25 0.76 0.80 0.00 -0.00 0.00 0.00 177.39 179.20 3efx s ALA 32 N -1.23 3.34 0.15 1.47 0.00 -1.26 -4.81 121.76 119.42 3efx s ALA 32 Ca 0.36 0.90 -0.34 0.00 0.00 0.00 0.00 51.96 52.88 3efx s ALA 32 Cb 0.20 -3.34 -0.15 0.00 0.00 0.00 0.00 23.12 19.84 3efx s ALA 32 CO 0.27 -0.25 1.42 0.41 0.00 0.00 0.00 175.76 177.62 3efx n GLY 33 N 0.97 0.73 2.20 0.00 0.00 -1.26 -0.60 105.19 107.23 3efx n GLY 33 Ca 0.00 0.63 -0.16 0.00 0.00 0.00 0.00 46.02 46.50 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 2.69 -1.37 -2.82 1.61 5.02 -1.26 -4.79 118.16 117.25 3efx n LYS 34 Ca 0.16 0.91 -0.01 0.00 -2.02 0.00 0.00 58.31 57.36 3efx n LYS 34 Cb 0.26 -5.22 0.06 0.00 -0.02 0.00 0.00 35.03 30.11 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 -2.07 1.67 -0.92 1.97 5.12 0.23 -4.48 116.66 118.18 3efx n ARG 35 Ca -0.16 -3.30 -0.14 0.00 -1.93 0.00 0.00 57.85 52.32 3efx n ARG 35 Cb 0.52 -1.42 -0.13 0.00 -1.16 0.00 0.00 32.46 30.27 3efx n ARG 35 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3efx n GLU 36 N -0.65 1.98 -3.29 5.56 4.71 -1.16 -4.33 120.64 123.46 3efx n GLU 36 Ca 0.05 -1.05 -0.19 0.00 -0.01 0.00 0.00 57.16 55.96 3efx n GLU 36 Cb 0.81 -2.05 0.00 0.00 -1.01 0.00 0.00 31.44 29.19 3efx n GLU 36 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3efx s MET 37 N 1.44 3.04 0.12 3.49 0.23 -1.24 -4.70 119.30 121.68 3efx s MET 37 Ca 0.59 -0.96 0.09 0.00 -1.03 0.00 0.00 55.69 54.38 3efx s MET 37 Cb 0.26 -2.76 -0.04 0.00 -1.53 0.00 0.00 34.83 30.76 3efx s MET 37 CO -0.01 -0.07 -0.20 0.00 -2.03 0.00 0.00 175.02 172.71 3efx s ALA 38 N -2.28 2.62 -0.02 3.16 0.00 -1.20 -1.65 121.76 122.38 3efx s ALA 38 Ca 0.48 -1.37 0.03 0.00 0.00 0.00 0.00 51.96 51.10 3efx s ALA 38 Cb -0.10 -0.60 -0.00 0.00 0.00 0.00 0.00 23.12 22.42 3efx s ALA 38 CO 0.33 0.58 -0.11 0.42 0.00 0.00 0.00 175.76 176.98 3efx s ILE 39 N -1.12 0.91 0.13 0.00 1.01 -0.21 -0.93 121.20 120.98 3efx s ILE 39 Ca 0.17 -0.44 0.08 0.00 0.00 0.00 0.00 60.65 60.46 3efx s ILE 39 Cb -0.10 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 3efx s ILE 39 CO 0.09 0.27 -0.20 0.27 0.00 0.00 0.00 174.94 175.37 3efx s ILE 40 N 0.07 1.75 0.21 2.92 -4.36 0.09 -1.21 121.20 120.66 3efx s ILE 40 Ca -0.02 -1.69 0.06 0.00 -0.26 0.00 0.00 60.65 58.75 3efx s ILE 40 Cb -0.08 -1.67 -0.05 0.00 1.25 0.00 0.00 42.46 41.91 3efx s ILE 40 CO 0.00 -0.16 -0.11 0.42 0.24 0.00 0.00 174.94 175.34 3efx s THR 41 N -1.50 1.54 0.18 8.37 -4.23 -0.85 -1.39 115.64 117.75 3efx s THR 41 Ca 0.10 -2.15 0.07 0.00 -1.18 0.00 0.00 61.69 58.53 3efx s THR 41 Cb -0.08 -2.09 -0.04 0.00 1.34 0.00 0.00 72.50 71.62 3efx s THR 41 CO 0.05 -0.56 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.08 3efx s PHE 42 N -3.09 1.56 0.44 3.99 0.40 -0.57 -0.54 117.98 120.18 3efx s PHE 42 Ca 0.23 -0.61 0.32 0.00 -0.60 0.00 0.00 56.93 56.27 3efx s PHE 42 Cb 0.01 -0.76 1.66 0.00 0.51 0.00 0.00 43.02 44.45 3efx s PHE 42 CO 0.06 0.26 2.14 1.57 0.70 0.00 0.00 175.22 179.95 3efx h LYS 43 N 2.80 0.00 0.00 0.44 2.10 -1.90 -1.37 116.57 118.64 3efx h LYS 43 Ca -0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 3efx h LYS 43 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 3efx h LYS 43 CO 0.60 0.07 0.00 0.27 -2.00 0.00 0.00 179.45 178.39 3efx n ASN 44 N -3.49 0.00 0.00 7.07 6.94 -1.26 -4.86 115.26 119.65 3efx n ASN 44 Ca -0.02 -0.15 0.00 0.00 -0.02 0.00 0.00 54.58 54.39 3efx n ASN 44 Cb 0.20 -0.21 0.00 0.00 -2.36 0.00 0.00 39.78 37.40 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 0.31 0.67 3.81 4.83 0.00 -0.52 -5.08 105.19 109.20 3efx n GLY 45 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 3.38 -0.07 4.61 0.00 -1.25 -4.89 121.76 121.54 3efx s ALA 46 Ca 0.00 0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.22 3efx s ALA 46 Cb 0.00 -2.89 0.01 0.00 0.00 0.00 0.00 23.12 20.24 3efx s ALA 46 CO 0.00 0.30 -0.14 0.99 0.00 0.00 0.00 175.76 176.91 3efx s THR 47 N -1.52 1.29 0.12 0.00 2.01 -1.26 -1.50 115.64 114.77 3efx s THR 47 Ca 0.44 -0.56 0.05 0.00 0.31 0.00 0.00 61.69 61.92 3efx s THR 47 Cb -0.17 -1.16 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 3efx s THR 47 CO 0.22 0.39 -0.12 -0.36 -0.69 0.00 0.00 174.62 174.06 3efx s PHE 48 N 0.65 1.26 0.18 4.92 0.08 -0.49 -3.97 117.98 120.61 3efx s PHE 48 Ca -0.15 -0.62 0.10 0.00 0.12 0.00 0.00 56.93 56.39 3efx s PHE 48 Cb -0.16 -0.66 -0.04 0.00 -0.57 0.00 0.00 43.02 41.58 3efx s PHE 48 CO 0.04 0.09 -0.22 1.14 -0.10 0.00 0.00 175.22 176.17 3efx s GLN 49 N -2.90 1.42 -0.38 0.44 -2.07 -0.54 -0.74 119.66 114.90 3efx s GLN 49 Ca 0.09 -1.47 -0.17 0.00 -1.82 0.00 0.00 55.36 51.99 3efx s GLN 49 Cb -0.03 -1.66 0.00 0.00 -1.09 0.00 0.00 33.01 30.23 3efx s GLN 49 CO 0.02 0.36 0.45 0.08 -1.32 0.00 0.00 175.29 174.87 3efx s VAL 50 N -1.76 5.07 -0.02 3.63 1.01 -0.11 -1.18 120.40 127.04 3efx s VAL 50 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 3efx s VAL 50 Cb -0.07 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 3efx s VAL 50 CO 0.09 -0.28 1.34 -0.70 0.00 0.00 0.00 175.10 175.55 3efx s GLU 51 N 2.23 4.30 -0.06 2.72 2.12 -1.26 -3.25 118.70 125.50 3efx s GLU 51 Ca 0.15 1.87 -0.02 0.00 0.36 0.00 0.00 54.97 57.32 3efx s GLU 51 Cb -0.16 -3.57 0.04 0.00 0.26 0.00 0.00 34.13 30.69 3efx s GLU 51 CO 0.13 -0.54 0.11 0.08 -0.54 0.00 0.00 175.26 174.51 3efx s VAL 52 N 2.37 -0.16 0.47 3.70 1.01 -1.26 -3.21 120.40 123.33 3efx s VAL 52 Ca 0.61 0.33 -0.23 0.00 0.00 0.00 0.00 61.98 62.69 3efx s VAL 52 Cb -0.29 -0.22 -0.07 0.00 0.00 0.00 0.00 36.38 35.80 3efx s VAL 52 CO 0.25 0.14 1.19 -2.16 0.00 0.00 0.00 175.10 174.52 3efx s PRO 53 N 1.91 3.68 0.73 2.72 0.04 -1.26 -3.80 135.00 139.01 3efx s PRO 53 Ca -0.00 1.84 -0.11 0.00 0.04 0.00 0.00 61.00 62.76 3efx s PRO 53 Cb -0.12 -2.39 0.03 0.00 0.04 0.00 0.00 34.50 32.06 3efx s PRO 53 CO -0.05 -0.64 1.10 0.20 0.04 0.00 0.00 177.00 177.65 3efx s GLY 54 N -1.30 1.63 -0.12 0.56 0.00 -1.20 -4.95 107.32 101.94 3efx s GLY 54 Ca 0.65 -0.30 0.12 0.00 0.00 0.00 0.00 44.72 45.19 3efx s GLY 54 CO 0.36 0.09 1.38 1.44 0.00 0.00 0.00 173.10 176.37 3efx n SER 55 N -3.12 3.89 0.41 1.64 7.64 -1.26 -4.82 113.62 118.00 3efx n SER 55 Ca 0.07 -2.46 -0.18 0.00 1.01 0.00 0.00 58.87 57.31 3efx n SER 55 Cb 0.57 -0.55 -0.09 0.00 -1.01 0.00 0.00 64.21 63.13 3efx n SER 55 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3efx h GLN 56 N 2.89 -1.08 -3.14 1.43 4.20 -1.98 -3.48 115.11 113.96 3efx h GLN 56 Ca 0.00 0.07 -0.62 0.00 0.06 0.00 0.00 58.65 58.16 3efx h GLN 56 Cb 1.30 0.25 -0.41 0.00 0.30 0.00 0.00 27.48 28.91 3efx h GLN 56 CO 0.25 -0.72 -0.64 -1.01 -0.67 0.00 0.00 178.83 176.03 3efx s HIS 57 N -5.60 3.05 -0.04 2.96 0.09 -1.26 -5.13 115.29 109.36 3efx s HIS 57 Ca -0.17 -3.09 0.00 0.00 -0.00 0.00 0.00 55.06 51.80 3efx s HIS 57 Cb 0.02 -2.52 0.02 0.00 -0.00 0.00 0.00 32.58 30.10 3efx s HIS 57 CO 0.53 -0.67 -0.02 0.96 -0.00 0.00 0.00 174.74 175.54 3efx s ILE 58 N -0.68 0.37 0.36 0.60 -0.00 -1.26 -5.03 121.20 115.55 3efx s ILE 58 Ca 0.21 0.00 0.08 0.00 -0.00 0.00 0.00 60.65 60.94 3efx s ILE 58 Cb -0.15 -0.45 0.31 0.00 -0.00 0.00 0.00 42.46 42.18 3efx s ILE 58 CO -0.08 0.20 1.90 0.44 -0.00 0.00 0.00 174.94 177.40 3efx h ASP 59 N 7.42 0.67 0.32 4.36 5.19 -2.03 0.12 116.42 132.48 3efx h ASP 59 Ca -0.36 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.07 3efx h ASP 59 Cb 1.14 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.54 3efx h ASP 59 CO 0.43 0.38 0.00 -1.54 -3.12 0.00 0.00 179.24 175.39 3efx n SER 60 N -4.52 0.00 -0.03 6.45 3.41 -1.26 -1.89 113.62 115.77 3efx n SER 60 Ca 0.15 0.25 0.11 0.00 -0.26 0.00 0.00 58.87 59.12 3efx n SER 60 Cb 0.37 -0.37 0.04 0.00 -0.26 0.00 0.00 64.21 63.99 3efx n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3efx n GLN 61 N -1.37 0.09 0.03 4.33 3.00 0.43 -4.29 117.38 119.60 3efx n GLN 61 Ca 0.05 -0.07 -0.11 0.00 -0.01 0.00 0.00 57.00 56.87 3efx n GLN 61 Cb 0.12 -1.50 -0.04 0.00 0.00 0.00 0.00 30.24 28.82 3efx n GLN 61 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.06 178.63 3efx h LYS 62 N 0.16 -0.17 -0.95 -1.09 2.10 -1.46 -2.07 116.57 113.09 3efx h LYS 62 Ca 0.00 0.01 0.21 0.00 -2.00 0.00 0.00 60.65 58.87 3efx h LYS 62 Cb 0.51 0.04 -0.08 0.00 -0.90 0.00 0.00 32.23 31.80 3efx h LYS 62 CO 0.00 -0.11 0.61 1.57 -2.00 0.00 0.00 179.45 179.52 3efx h LYS 63 N -0.18 0.50 -0.03 0.07 -0.00 -1.77 -0.65 116.57 114.51 3efx h LYS 63 Ca 0.06 -0.03 -0.15 0.00 -0.00 0.00 0.00 60.65 60.53 3efx h LYS 63 Cb 0.25 -0.11 -0.01 0.00 -0.00 0.00 0.00 32.23 32.35 3efx h LYS 63 CO -0.14 0.33 -0.64 0.00 -0.00 0.00 0.00 179.45 178.99 3efx h ALA 64 N 1.62 0.86 -0.40 0.07 0.00 -1.67 -1.71 119.26 118.03 3efx h ALA 64 Ca 0.51 -0.57 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 3efx h ALA 64 Cb 1.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3efx h ALA 64 CO -0.24 0.77 -0.31 0.82 0.00 0.00 0.00 179.25 180.29 3efx h ILE 65 N 0.10 1.27 -0.47 0.00 2.04 -0.48 -1.51 117.51 118.46 3efx h ILE 65 Ca -0.01 -1.47 -0.08 0.00 1.00 0.00 0.00 64.86 64.30 3efx h ILE 65 Cb 1.15 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 3efx h ILE 65 CO 0.09 0.49 -0.03 -0.33 0.00 0.00 0.00 178.15 178.38 3efx h GLU 66 N 0.74 0.84 -0.27 2.37 4.39 -1.20 -2.29 114.58 119.16 3efx h GLU 66 Ca 0.08 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 3efx h GLU 66 Cb 0.87 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 3efx h GLU 66 CO 0.08 0.91 0.13 -0.09 -1.16 0.00 0.00 179.01 178.88 3efx h ARG 67 N 0.69 0.39 -0.72 2.33 2.43 -1.24 -1.21 114.38 117.06 3efx h ARG 67 Ca 0.13 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3efx h ARG 67 Cb 0.54 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.98 3efx h ARG 67 CO 0.03 0.37 0.47 1.98 -1.51 0.00 0.00 179.97 181.31 3efx h MET 68 N 0.30 0.92 -0.73 0.20 4.05 -1.16 0.94 114.93 119.45 3efx h MET 68 Ca 0.09 -0.06 -0.06 0.00 -0.28 0.00 0.00 59.70 59.40 3efx h MET 68 Cb 0.11 -0.21 -0.03 0.00 -0.80 0.00 0.00 31.60 30.68 3efx h MET 68 CO -0.01 0.61 0.23 0.87 0.23 0.00 0.00 176.91 178.84 3efx h LYS 69 N 0.94 1.13 -0.40 0.39 1.57 -1.17 -0.23 116.57 118.80 3efx h LYS 69 Ca 0.27 -0.24 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3efx h LYS 69 Cb -0.07 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 3efx h LYS 69 CO -0.07 0.95 0.26 -0.44 -0.57 0.00 0.00 179.45 179.58 3efx h ASP 70 N 1.08 0.45 -0.42 0.86 3.32 -0.56 -1.53 116.42 119.62 3efx h ASP 70 Ca 0.24 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 3efx h ASP 70 Cb 0.29 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 3efx h ASP 70 CO -0.01 0.32 0.17 0.74 -1.72 0.00 0.00 179.24 178.74 3efx h THR 71 N 0.53 1.20 -0.42 0.35 2.02 -0.58 -1.77 112.91 114.23 3efx h THR 71 Ca 0.15 -0.61 -0.08 0.00 0.77 0.00 0.00 66.41 66.63 3efx h THR 71 Cb -0.05 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 3efx h THR 71 CO -0.04 0.22 -0.08 -0.07 0.37 0.00 0.00 175.52 175.92 3efx h LEU 72 N 0.53 0.71 -0.28 2.58 3.38 -0.96 -0.22 115.31 121.05 3efx h LEU 72 Ca 0.14 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3efx h LEU 72 Cb 0.19 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3efx h LEU 72 CO -0.01 0.84 -0.00 -0.09 0.09 0.00 0.00 178.44 179.26 3efx h ARG 73 N 0.67 0.50 -0.17 1.13 2.43 -1.11 -1.33 114.38 116.51 3efx h ARG 73 Ca 0.12 -0.16 -0.16 0.00 -0.81 0.00 0.00 59.98 58.97 3efx h ARG 73 Cb 0.54 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 3efx h ARG 73 CO 0.03 0.66 -0.57 0.97 -1.51 0.00 0.00 179.97 179.55 3efx h ILE 74 N 0.29 1.33 -0.35 1.20 6.09 -1.22 -1.04 117.51 123.81 3efx h ILE 74 Ca 0.08 -1.83 -0.00 0.00 -1.37 0.00 0.00 64.86 61.74 3efx h ILE 74 Cb 0.43 1.81 -0.02 0.00 0.47 0.00 0.00 36.82 39.51 3efx h ILE 74 CO 0.02 0.57 0.21 0.00 -3.07 0.00 0.00 178.15 175.87 3efx h ALA 75 N 0.97 0.44 -0.14 0.18 0.00 -1.05 -0.09 119.26 119.58 3efx h ALA 75 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3efx h ALA 75 Cb 1.11 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3efx h ALA 75 CO 0.11 -0.07 0.01 -0.92 0.00 0.00 0.00 179.25 178.38 3efx h TYR 76 N 0.45 0.01 -0.07 0.00 3.20 -1.08 -0.03 116.97 119.46 3efx h TYR 76 Ca 0.12 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.87 3efx h TYR 76 Cb -0.00 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 3efx h TYR 76 CO -0.04 -0.01 -0.57 -0.07 -1.64 0.00 0.00 178.16 175.83 3efx h LEU 77 N 0.06 0.25 -0.89 2.82 3.38 -0.98 -2.66 115.31 117.29 3efx h LEU 77 Ca 0.06 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3efx h LEU 77 Cb 0.07 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3efx h LEU 77 CO -0.10 0.77 0.00 0.35 0.09 0.00 0.00 178.44 179.55 3efx n THR 78 N -3.89 0.03 -3.34 0.22 -2.24 -0.06 -4.95 114.28 100.05 3efx n THR 78 Ca -0.02 -0.24 -0.24 0.00 -2.27 0.00 0.00 64.05 61.28 3efx n THR 78 Cb 0.60 0.38 0.05 0.00 -2.10 0.00 0.00 70.33 69.26 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 0.08 -5.98 -2.27 -0.78 1.02 -0.39 -4.93 120.64 107.39 3efx n GLU 79 Ca 0.19 0.82 -0.42 0.00 -0.02 0.00 0.00 57.16 57.74 3efx n GLU 79 Cb 0.33 -5.75 -0.03 0.00 -0.02 0.00 0.00 31.44 25.96 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 -3.23 3.50 0.04 0.62 0.00 -0.16 -4.78 121.76 117.75 3efx s ALA 80 Ca 0.45 1.04 -0.31 0.00 0.00 0.00 0.00 51.96 53.14 3efx s ALA 80 Cb -0.20 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.38 3efx s ALA 80 CO 0.55 -0.50 1.43 0.21 0.00 0.00 0.00 175.76 177.46 3efx s LYS 81 N 0.25 4.28 -0.20 0.00 2.20 -1.26 -4.29 119.74 120.72 3efx s LYS 81 Ca 0.58 2.05 -0.19 0.00 -0.36 0.00 0.00 55.97 58.04 3efx s LYS 81 Cb -0.35 -3.49 -0.03 0.00 -1.51 0.00 0.00 37.83 32.46 3efx s LYS 81 CO 0.35 -0.56 0.53 0.08 -0.36 0.00 0.00 175.35 175.40 3efx s VAL 82 N 2.06 5.09 0.00 4.02 1.01 -0.03 -3.88 120.40 128.68 3efx s VAL 82 Ca 0.65 0.98 0.00 0.00 0.00 0.00 0.00 61.98 63.61 3efx s VAL 82 Cb -0.34 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.19 3efx s VAL 82 CO 0.28 0.16 0.00 1.21 0.00 0.00 0.00 175.10 176.76 3efx n GLU 83 N 4.87 0.00 -4.28 2.72 2.13 0.40 -0.34 120.64 126.13 3efx n GLU 83 Ca -0.04 0.42 -0.18 0.00 0.66 0.00 0.00 57.16 58.02 3efx n GLU 83 Cb 0.50 -0.92 -0.11 0.00 0.27 0.00 0.00 31.44 31.18 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 -0.85 1.15 -0.07 5.31 1.02 -1.10 -0.37 119.74 124.83 3efx s LYS 84 Ca 0.00 -1.41 0.03 0.00 0.02 0.00 0.00 55.97 54.61 3efx s LYS 84 Cb 0.00 -0.94 0.01 0.00 -0.52 0.00 0.00 37.83 36.37 3efx s LYS 84 CO 0.00 0.16 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.93 3efx s LEU 85 N -2.89 1.78 -0.21 3.17 1.43 -0.53 -1.16 118.68 120.27 3efx s LEU 85 Ca 0.15 -0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 52.73 3efx s LEU 85 Cb -0.02 -0.98 -0.04 0.00 0.03 0.00 0.00 46.19 45.19 3efx s LEU 85 CO 0.04 0.07 0.39 0.00 0.23 0.00 0.00 176.35 177.08 3efx s VAL 87 N 1.41 0.98 -0.36 0.00 -7.23 -0.44 -0.25 120.40 114.51 3efx s VAL 87 Ca 0.18 -0.86 -0.29 0.00 -1.81 0.00 0.00 61.98 59.20 3efx s VAL 87 Cb -0.15 -0.88 0.01 0.00 0.56 0.00 0.00 36.38 35.92 3efx s VAL 87 CO 0.08 0.03 1.28 0.26 -0.31 0.00 0.00 175.10 176.43 3efx s TRP 88 N -0.74 2.68 -1.98 2.82 0.51 0.14 -1.33 118.94 121.04 3efx s TRP 88 Ca 0.01 0.83 0.17 0.00 -2.12 0.00 0.00 56.10 54.99 3efx s TRP 88 Cb -0.07 -4.07 0.48 0.00 -0.81 0.00 0.00 33.47 29.01 3efx s TRP 88 CO 0.01 -1.61 1.40 0.27 -0.51 0.00 0.00 176.95 176.51 3efx n ASN 89 N 7.88 2.95 -0.08 2.95 0.23 -0.58 -1.43 115.26 127.18 3efx n ASN 89 Ca 0.14 -2.01 0.14 0.00 -0.53 0.00 0.00 54.58 52.33 3efx n ASN 89 Cb 0.47 -0.37 0.57 0.00 -2.08 0.00 0.00 39.78 38.38 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 1.10 0.37 -4.87 0.53 6.94 -1.26 -4.90 115.26 113.17 3efx n ASN 90 Ca 0.18 -0.33 -0.22 0.00 -0.02 0.00 0.00 54.58 54.19 3efx n ASN 90 Cb 0.47 -0.11 -0.04 0.00 -2.36 0.00 0.00 39.78 37.74 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 -2.64 3.10 -0.12 -3.83 -0.14 -1.24 -5.08 119.74 109.79 3efx s LYS 91 Ca 0.24 -0.92 -0.01 0.00 -1.36 0.00 0.00 55.97 53.92 3efx s LYS 91 Cb 0.20 -2.69 0.03 0.00 -1.68 0.00 0.00 37.83 33.69 3efx s LYS 91 CO 0.51 0.43 -0.03 0.99 -0.76 0.00 0.00 175.35 176.49 3efx s THR 92 N -2.02 0.77 0.93 2.17 2.01 -1.26 -2.49 115.64 115.75 3efx s THR 92 Ca 0.33 -0.25 -0.10 0.00 0.31 0.00 0.00 61.69 61.98 3efx s THR 92 Cb -0.09 -0.92 0.15 0.00 0.01 0.00 0.00 72.50 71.65 3efx s THR 92 CO 0.26 0.22 1.14 -2.84 -0.69 0.00 0.00 174.62 172.71 3efx s PRO 93 N 1.80 0.93 0.36 4.92 0.02 -1.26 -5.05 135.00 136.71 3efx s PRO 93 Ca 0.03 1.50 -0.27 0.00 0.02 0.00 0.00 61.00 62.29 3efx s PRO 93 Cb -0.13 -1.72 -0.12 0.00 0.02 0.00 0.00 34.50 32.54 3efx s PRO 93 CO -0.07 -2.68 1.12 0.09 -0.33 0.00 0.00 177.00 175.14 3efx n ASN 94 N -4.26 1.88 -4.63 2.53 4.13 -1.04 -4.51 115.26 109.36 3efx n ASN 94 Ca 0.11 1.13 -0.35 0.00 1.68 0.00 0.00 54.58 57.15 3efx n ASN 94 Cb 0.52 -1.39 -0.10 0.00 -1.54 0.00 0.00 39.78 37.27 3efx n ASN 94 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3efx s SER 95 N -0.54 5.82 -0.11 6.41 0.15 -0.52 -1.47 113.70 123.45 3efx s SER 95 Ca 0.59 0.08 -0.29 0.00 0.70 0.00 0.00 55.95 57.03 3efx s SER 95 Cb -0.59 -2.03 -0.03 0.00 -1.71 0.00 0.00 66.02 61.66 3efx s SER 95 CO 0.59 0.11 1.39 -0.63 1.20 0.00 0.00 173.24 175.91 3efx s ILE 96 N 0.76 4.02 -0.23 6.45 1.01 -0.33 0.28 121.20 133.16 3efx s ILE 96 Ca 0.06 1.25 0.01 0.00 0.00 0.00 0.00 60.65 61.97 3efx s ILE 96 Cb -0.13 -3.81 -0.19 0.00 0.01 0.00 0.00 42.46 38.34 3efx s ILE 96 CO 0.02 -0.10 -0.09 0.00 0.00 0.00 0.00 174.94 174.77 3efx n ALA 97 N 6.63 1.32 -3.02 9.38 0.00 0.66 -4.83 120.51 130.65 3efx n ALA 97 Ca 0.15 -1.00 -0.11 0.00 0.00 0.00 0.00 53.44 52.47 3efx n ALA 97 Cb 0.44 -0.23 -0.06 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.81 0.01 0.00 0.00 -0.94 -4.97 121.76 112.51 3efx s ALA 98 Ca -0.31 0.05 0.02 0.00 0.00 0.00 0.00 51.96 51.72 3efx s ALA 98 Cb 0.08 0.43 -0.01 0.00 0.00 0.00 0.00 23.12 23.62 3efx s ALA 98 CO 0.64 -0.49 -0.08 -1.50 0.00 0.00 0.00 175.76 174.34 3efx s ILE 99 N -2.91 0.58 0.03 0.00 2.07 -1.26 -0.52 121.20 119.19 3efx s ILE 99 Ca -0.02 -0.55 0.07 0.00 -1.41 0.00 0.00 60.65 58.74 3efx s ILE 99 Cb 0.00 -0.53 -0.02 0.00 0.13 0.00 0.00 42.46 42.03 3efx s ILE 99 CO -0.06 0.00 -0.21 -0.94 -1.91 0.00 0.00 174.94 171.82 3efx s SER 100 N -0.60 2.55 -0.04 4.50 1.04 -0.31 -5.01 113.70 115.83 3efx s SER 100 Ca -0.01 -0.50 0.04 0.00 0.48 0.00 0.00 55.95 55.96 3efx s SER 100 Cb -0.05 -0.23 -0.00 0.00 0.10 0.00 0.00 66.02 65.84 3efx s SER 100 CO 0.00 0.19 -0.15 -0.04 0.98 0.00 0.00 173.24 174.22 3efx s MET 101 N -1.04 1.52 0.00 4.02 -1.94 -1.26 -0.46 119.30 120.14 3efx s MET 101 Ca 0.08 -0.53 0.00 0.00 -1.71 0.00 0.00 55.69 53.53 3efx s MET 101 Cb -0.09 -1.35 0.00 0.00 2.01 0.00 0.00 34.83 35.40 3efx s MET 101 CO 0.01 0.22 0.00 0.00 -0.01 0.00 0.00 175.02 175.25