#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ybj s PHE 2 N 0.00 2.65 -0.15 0.00 5.36 -1.26 -3.88 117.98 120.70 1ybj s PHE 2 Ca 0.00 -0.26 -0.34 0.00 -0.96 0.00 0.00 56.93 55.38 1ybj s PHE 2 Cb 0.00 -1.22 0.13 0.00 -0.34 0.00 0.00 43.02 41.59 1ybj s PHE 2 CO 0.00 0.60 1.15 -1.54 -1.46 0.00 0.00 175.22 173.98 1ybj s SER 3 N -3.67 -0.17 -0.33 6.13 1.04 0.17 -4.20 113.70 112.66 1ybj s SER 3 Ca 0.32 -0.01 -0.14 0.00 0.48 0.00 0.00 55.95 56.60 1ybj s SER 3 Cb -0.06 0.19 -0.02 0.00 0.10 0.00 0.00 66.02 66.24 1ybj s SER 3 CO 0.20 -0.31 0.32 0.68 0.98 0.00 0.00 173.24 175.11 1ybj s VAL 4 N -2.55 5.20 -1.11 5.02 -7.23 -1.26 -1.69 120.40 116.78 1ybj s VAL 4 Ca 0.09 0.03 -0.03 0.00 -1.81 0.00 0.00 61.98 60.27 1ybj s VAL 4 Cb -0.01 -3.77 0.25 0.00 0.56 0.00 0.00 36.38 33.41 1ybj s VAL 4 CO -0.05 -0.03 2.05 0.59 -0.31 0.00 0.00 175.10 177.34 1ybj n ASN 5 N 5.30 7.59 -4.79 4.85 3.02 0.68 -4.71 115.26 127.20 1ybj n ASN 5 Ca -0.10 -3.50 -0.34 0.00 -0.03 0.00 0.00 54.58 50.61 1ybj n ASN 5 Cb 0.50 -1.23 -0.03 0.00 -0.61 0.00 0.00 39.78 38.40 1ybj n ASN 5 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1ybj s TYR 6 N -3.18 2.97 -0.68 3.10 1.13 -1.26 -0.39 117.35 119.03 1ybj s TYR 6 Ca 0.45 1.58 -0.26 0.00 -1.41 0.00 0.00 57.07 57.43 1ybj s TYR 6 Cb 0.20 -3.10 -0.09 0.00 -1.10 0.00 0.00 41.96 37.87 1ybj s TYR 6 CO -0.13 -0.92 2.28 0.34 -2.51 0.00 0.00 175.55 174.60 1ybj s ASP 7 N -1.92 4.42 0.00 -0.18 2.15 -1.26 -4.74 116.67 115.14 1ybj s ASP 7 Ca 0.67 0.33 0.00 0.00 0.43 0.00 0.00 52.55 53.99 1ybj s ASP 7 Cb -0.18 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 1ybj s ASP 7 CO 0.21 -3.20 0.15 -1.54 -0.17 0.00 0.00 175.17 170.63 1ybj n SER 8 N 16.36 -0.31 0.00 -0.34 3.41 -1.26 -2.23 113.62 129.26 1ybj n SER 8 Ca 0.39 -0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1ybj n SER 8 Cb 0.49 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1ybj n SER 8 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1ybj n SER 9 N 0.93 0.00 -0.71 4.04 2.88 -1.26 -4.91 113.62 114.59 1ybj n SER 9 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 1ybj n SER 9 Cb 0.08 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 63.70 1ybj n SER 9 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1ybj n PHE 10 N -0.10 0.52 -1.22 0.66 3.72 -0.94 -4.80 117.46 115.30 1ybj n PHE 10 Ca 0.00 -0.25 -0.42 0.00 -0.05 0.00 0.00 57.45 56.73 1ybj n PHE 10 Cb 0.00 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 38.49 1ybj n PHE 10 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ybj n GLY 11 N 1.08 2.92 0.35 1.37 0.00 -1.26 -3.08 105.19 106.57 1ybj n GLY 11 Ca 0.13 -1.30 -0.01 0.00 0.00 0.00 0.00 46.02 44.84 1ybj n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ybj n GLY 12 N 4.40 0.43 3.67 -0.02 0.00 -1.26 -4.14 105.19 108.26 1ybj n GLY 12 Ca 0.50 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.17 1ybj n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ybj s TYR 13 N 0.00 3.13 0.18 1.61 1.51 -1.18 -4.85 117.35 117.75 1ybj s TYR 13 Ca 0.00 0.17 -0.30 0.00 -1.01 0.00 0.00 57.07 55.92 1ybj s TYR 13 Cb 0.00 -1.77 -0.09 0.00 -0.11 0.00 0.00 41.96 39.99 1ybj s TYR 13 CO 0.00 0.45 1.35 -1.12 -1.11 0.00 0.00 175.55 175.12 1ybj s SER 14 N -0.89 6.84 0.20 2.29 0.01 -1.23 0.18 113.70 121.10 1ybj s SER 14 Ca 0.13 2.42 -0.11 0.00 1.31 0.00 0.00 55.95 59.70 1ybj s SER 14 Cb -0.11 -2.61 0.26 0.00 0.21 0.00 0.00 66.02 63.77 1ybj s SER 14 CO 0.02 -0.58 1.69 0.40 0.41 0.00 0.00 173.24 175.18 1ybj h ILE 15 N 3.86 0.60 0.00 1.44 1.08 -1.40 0.40 117.51 123.48 1ybj h ILE 15 Ca -0.44 -0.06 -0.03 0.00 -0.39 0.00 0.00 64.86 63.94 1ybj h ILE 15 Cb 1.21 0.40 -0.00 0.00 -3.07 0.00 0.00 36.82 35.36 1ybj h ILE 15 CO 0.80 0.03 -0.14 -0.74 -0.69 0.00 0.00 178.15 177.42 1ybj h HIS 16 N 0.18 0.00 0.05 1.37 2.76 -1.84 0.38 115.15 118.05 1ybj h HIS 16 Ca 0.30 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.46 1ybj h HIS 16 Cb 0.45 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.41 1ybj h HIS 16 CO -0.29 0.14 -0.02 0.22 -1.30 0.00 0.00 177.93 176.67 1ybj h ASP 17 N 0.00 -0.06 -0.03 3.26 1.82 -0.55 -0.90 116.42 119.97 1ybj h ASP 17 Ca -0.00 -0.51 -0.01 0.00 -0.39 0.00 0.00 57.03 56.12 1ybj h ASP 17 Cb 0.37 0.01 -0.00 0.00 0.68 0.00 0.00 39.33 40.39 1ybj h ASP 17 CO 0.02 0.50 -0.03 0.22 -1.61 0.00 0.00 179.24 178.34 1ybj h TYR 18 N -0.64 0.09 -0.93 0.28 5.03 -1.02 -2.18 116.97 117.61 1ybj h TYR 18 Ca -0.01 -0.03 0.06 0.00 2.58 0.00 0.00 58.73 61.34 1ybj h TYR 18 Cb 0.56 -0.02 -0.06 0.00 1.55 0.00 0.00 36.73 38.76 1ybj h TYR 18 CO 0.11 0.53 0.61 -0.07 -1.32 0.00 0.00 178.16 178.02 1ybj h LEU 19 N -0.37 0.95 -0.92 2.82 3.38 -1.04 0.79 115.31 120.92 1ybj h LEU 19 Ca 0.01 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1ybj h LEU 19 Cb 0.51 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 1ybj h LEU 19 CO 0.01 0.61 0.59 1.23 0.09 0.00 0.00 178.44 180.96 1ybj h GLY 20 N 1.07 1.35 0.94 0.83 0.00 -1.07 0.24 103.07 106.43 1ybj h GLY 20 Ca 0.40 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 1ybj h GLY 20 CO -0.15 0.36 0.17 -1.61 0.00 0.00 0.00 176.54 175.31 1ybj h GLN 21 N 1.13 0.56 -0.30 4.80 4.15 -0.30 0.28 115.11 125.42 1ybj h GLN 21 Ca 0.37 -0.09 0.07 0.00 0.77 0.00 0.00 58.65 59.77 1ybj h GLN 21 Cb 0.05 -0.09 -0.07 0.00 0.21 0.00 0.00 27.48 27.58 1ybj h GLN 21 CO -0.13 0.52 -0.14 2.35 -1.93 0.00 0.00 178.83 179.49 1ybj h TRP 22 N 0.47 -0.33 0.00 3.99 7.01 -0.41 -1.62 115.95 125.06 1ybj h TRP 22 Ca 0.13 0.03 -0.07 0.00 2.11 0.00 0.00 58.89 61.09 1ybj h TRP 22 Cb 0.16 0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.40 1ybj h TRP 22 CO -0.01 -0.21 -0.34 0.00 -2.79 0.00 0.00 178.44 175.09 1ybj h ALA 23 N 1.14 1.33 0.08 2.65 0.00 -0.68 -1.68 119.26 122.10 1ybj h ALA 23 Ca 0.15 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1ybj h ALA 23 Cb 0.33 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1ybj h ALA 23 CO -0.36 0.43 -0.13 1.03 0.00 0.00 0.00 179.25 180.22 1ybj h SER 24 N 0.00 -0.35 0.51 0.00 0.87 0.47 -1.97 113.55 113.07 1ybj h SER 24 Ca -0.00 0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.54 1ybj h SER 24 Cb 0.65 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 1ybj h SER 24 CO 0.04 -0.19 -0.30 0.71 -0.53 0.00 0.00 176.83 176.57 1ybj h THR 25 N -0.26 0.95 -0.01 2.23 1.35 -1.14 -3.09 112.91 112.95 1ybj h THR 25 Ca 0.02 -1.12 0.00 0.00 -0.55 0.00 0.00 66.41 64.76 1ybj h THR 25 Cb 0.27 1.65 -0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1ybj h THR 25 CO -0.07 0.29 0.01 0.15 -0.25 0.00 0.00 175.52 175.65 1ybj h PHE 26 N 0.00 0.01 0.00 4.73 3.04 -0.59 -2.84 116.94 121.29 1ybj h PHE 26 Ca -0.00 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.89 1ybj h PHE 26 Cb 0.63 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.13 1ybj h PHE 26 CO 0.00 0.03 -0.28 0.78 -2.02 0.00 0.00 178.31 176.82 1ybj h GLY 27 N -0.01 0.00 -7.20 2.40 0.00 -1.34 -3.40 103.07 93.53 1ybj h GLY 27 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.80 1ybj h GLY 27 CO -0.00 0.00 1.20 -0.35 0.00 0.00 0.00 176.54 177.39 1ybj s ASP 28 N -6.70 5.83 0.39 0.19 2.15 -1.07 -4.84 116.67 112.62 1ybj s ASP 28 Ca -0.03 0.41 0.27 0.00 0.43 0.00 0.00 52.55 53.64 1ybj s ASP 28 Cb 0.14 -2.54 1.39 0.00 -0.30 0.00 0.00 42.92 41.61 1ybj s ASP 28 CO 0.68 -1.93 1.83 -0.37 -0.17 0.00 0.00 175.17 175.22 1ybj h VAL 29 N 6.58 0.00 0.00 1.11 -1.51 -1.83 -1.97 116.25 118.62 1ybj h VAL 29 Ca -0.28 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 1ybj h VAL 29 Cb 1.12 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 1ybj h VAL 29 CO 1.17 0.00 -0.70 0.59 -1.23 0.00 0.00 177.57 177.41 1ybj n ASN 30 N -2.48 0.63 -4.70 4.19 3.02 -1.26 -4.38 115.26 110.28 1ybj n ASN 30 Ca -0.01 -0.06 -0.42 0.00 -0.03 0.00 0.00 54.58 54.06 1ybj n ASN 30 Cb 0.11 0.35 -0.03 0.00 -0.61 0.00 0.00 39.78 39.59 1ybj n ASN 30 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1ybj s HIS 31 N -3.13 2.89 0.22 3.10 2.46 -0.74 -4.99 115.29 115.09 1ybj s HIS 31 Ca 0.07 0.66 0.04 0.00 0.47 0.00 0.00 55.06 56.30 1ybj s HIS 31 Cb 0.15 -3.83 -0.02 0.00 -0.13 0.00 0.00 32.58 28.75 1ybj s HIS 31 CO 0.74 -3.10 0.16 0.25 -2.47 0.00 0.00 174.74 170.32 1ybj n THR 32 N 4.30 0.00 -3.65 0.89 -2.24 -1.26 -4.75 114.28 107.57 1ybj n THR 32 Ca 0.14 -1.52 -0.05 0.00 -2.27 0.00 0.00 64.05 60.34 1ybj n THR 32 Cb 0.41 0.72 -0.06 0.00 -2.10 0.00 0.00 70.33 69.30 1ybj n THR 32 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1ybj s ASN 33 N -2.48 -0.92 0.02 3.42 3.84 -1.26 -5.02 114.94 112.54 1ybj s ASN 33 Ca 0.23 1.43 0.14 0.00 0.21 0.00 0.00 52.86 54.87 1ybj s ASN 33 Cb 0.01 1.69 0.60 0.00 -0.55 0.00 0.00 41.25 42.99 1ybj s ASN 33 CO 0.16 -0.23 1.44 0.61 -2.79 0.00 0.00 177.10 176.30 1ybj n GLY 34 N 4.86 -0.98 0.15 1.21 0.00 -1.26 -1.37 105.19 107.80 1ybj n GLY 34 Ca -0.16 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 45.95 1ybj n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ybj n ASN 35 N -1.55 0.85 -4.61 1.61 5.03 -1.26 -4.81 115.26 110.52 1ybj n ASN 35 Ca 0.03 -0.66 -0.39 0.00 0.87 0.00 0.00 54.58 54.43 1ybj n ASN 35 Cb 0.16 0.22 -0.09 0.00 -1.02 0.00 0.00 39.78 39.05 1ybj n ASN 35 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1ybj s VAL 36 N -2.71 5.15 -0.17 2.41 1.01 -0.47 -4.83 120.40 120.79 1ybj s VAL 36 Ca 0.18 0.64 -0.13 0.00 0.00 0.00 0.00 61.98 62.67 1ybj s VAL 36 Cb 0.18 -3.73 -0.07 0.00 0.00 0.00 0.00 36.38 32.77 1ybj s VAL 36 CO 0.60 0.15 -0.15 0.41 0.00 0.00 0.00 175.10 176.11 1ybj n THR 37 N 5.06 1.46 -0.01 3.92 -1.04 -1.26 -4.89 114.28 117.53 1ybj n THR 37 Ca -0.08 0.12 -0.01 0.00 -2.04 0.00 0.00 64.05 62.04 1ybj n THR 37 Cb 0.51 -2.28 -0.00 0.00 -1.82 0.00 0.00 70.33 66.73 1ybj n THR 37 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1ybj n ASP 38 N -4.53 0.23 -1.51 8.00 2.03 -1.26 -5.09 116.55 114.42 1ybj n ASP 38 Ca -0.16 0.08 -0.00 0.00 0.52 0.00 0.00 54.79 55.22 1ybj n ASP 38 Cb 0.43 -0.53 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 1ybj n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ybj n ALA 39 N -2.68 -3.00 -2.13 -1.67 0.00 -1.16 -5.02 120.51 104.85 1ybj n ALA 39 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.02 1ybj n ALA 39 Cb 0.06 -0.01 -0.04 0.00 0.00 0.00 0.00 19.45 19.45 1ybj n ALA 39 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1ybj s ASN 40 N -0.88 7.44 -0.03 0.00 0.01 0.37 -4.78 114.94 117.07 1ybj s ASN 40 Ca 0.00 1.91 -0.22 0.00 -0.71 0.00 0.00 52.86 53.84 1ybj s ASN 40 Cb -0.00 -2.60 -0.25 0.00 0.41 0.00 0.00 41.25 38.82 1ybj s ASN 40 CO 0.00 -0.09 1.03 0.77 -1.51 0.00 0.00 177.10 177.31 1ybj h SER 41 N 5.23 0.39 -1.40 -1.22 4.64 -1.90 -3.35 113.55 115.94 1ybj h SER 41 Ca -0.44 -0.80 0.00 0.00 -0.47 0.00 0.00 61.79 60.08 1ybj h SER 41 Cb 1.21 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1ybj h SER 41 CO 0.71 1.15 0.00 0.61 -0.87 0.00 0.00 176.83 178.43 1ybj n GLY 42 N 1.16 0.27 0.65 -0.77 0.00 -1.26 0.96 105.19 106.20 1ybj n GLY 42 Ca -0.11 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1ybj n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ybj n GLY 43 N -1.35 -0.15 2.06 -0.02 0.00 -1.24 -5.02 105.19 99.48 1ybj n GLY 43 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 1ybj n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ybj n PHE 44 N -1.74 -2.10 0.42 1.61 3.72 -1.26 -4.93 117.46 113.17 1ybj n PHE 44 Ca 0.00 1.10 0.13 0.00 -0.05 0.00 0.00 57.45 58.62 1ybj n PHE 44 Cb 0.00 -2.71 0.30 0.00 -0.94 0.00 0.00 39.48 36.13 1ybj n PHE 44 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 1ybj h TYR 45 N 1.77 0.00 -0.20 1.38 3.20 -1.76 -3.21 116.97 118.15 1ybj h TYR 45 Ca -0.15 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.72 1ybj h TYR 45 Cb 0.35 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.62 1ybj h TYR 45 CO 0.00 0.00 0.00 0.41 -1.64 0.00 0.00 178.16 176.93 1ybj n GLY 46 N 1.15 1.53 0.00 1.82 0.00 -0.94 -4.99 105.19 103.75 1ybj n GLY 46 Ca 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1ybj n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ybj n GLY 47 N 0.36 0.43 0.09 -0.02 0.00 -1.21 -4.51 105.19 100.33 1ybj n GLY 47 Ca 0.09 -1.20 -0.09 0.00 0.00 0.00 0.00 46.02 44.81 1ybj n GLY 47 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ybj h SER 48 N 0.00 -0.08 0.00 1.61 0.02 -1.94 -3.44 113.55 109.72 1ybj h SER 48 Ca 0.00 -0.47 -0.15 0.00 -0.84 0.00 0.00 61.79 60.33 1ybj h SER 48 Cb 0.00 0.02 -0.12 0.00 0.14 0.00 0.00 62.40 62.44 1ybj h SER 48 CO 0.00 0.60 -0.20 0.00 -1.14 0.00 0.00 176.83 176.09 1ybj n LEU 49 N -4.79 -1.31 0.00 5.07 -0.00 -1.26 -4.92 117.00 109.80 1ybj n LEU 49 Ca -0.07 -2.77 -0.08 0.00 -0.00 0.00 0.00 56.01 53.09 1ybj n LEU 49 Cb 0.27 0.30 0.02 0.00 -0.00 0.00 0.00 43.42 44.00 1ybj n LEU 49 CO 0.22 1.59 0.40 -1.54 -0.00 0.00 0.00 177.39 178.06 1ybj n SER 50 N -0.96 -1.83 0.00 1.45 3.41 -1.26 -1.26 113.62 113.17 1ybj n SER 50 Ca -0.12 -2.39 0.00 0.00 -0.26 0.00 0.00 58.87 56.10 1ybj n SER 50 Cb 0.79 3.08 0.00 0.00 -0.26 0.00 0.00 64.21 67.81 1ybj n SER 50 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ybj n GLY 51 N -0.46 0.99 0.14 5.00 0.00 -1.07 -2.22 105.19 107.56 1ybj n GLY 51 Ca -0.06 -1.90 -0.21 0.00 0.00 0.00 0.00 46.02 43.85 1ybj n GLY 51 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1ybj h SER 52 N 0.00 0.48 -2.97 1.61 0.87 -1.84 -3.16 113.55 108.53 1ybj h SER 52 Ca 0.00 -0.87 -0.64 0.00 -1.23 0.00 0.00 61.79 59.06 1ybj h SER 52 Cb 0.00 -0.15 -0.16 0.00 -0.44 0.00 0.00 62.40 61.64 1ybj h SER 52 CO 0.00 1.75 -0.77 -1.10 -0.53 0.00 0.00 176.83 176.18 1ybj s GLN 53 N -2.57 1.76 -0.28 2.24 -0.21 -1.26 0.51 119.66 119.85 1ybj s GLN 53 Ca -0.18 -1.46 -0.02 0.00 0.02 0.00 0.00 55.36 53.72 1ybj s GLN 53 Cb 0.06 -1.96 0.12 0.00 1.00 0.00 0.00 33.01 32.24 1ybj s GLN 53 CO 0.81 0.40 0.25 -0.47 -2.12 0.00 0.00 175.29 174.17 1ybj s TYR 54 N -1.81 -0.29 0.05 0.91 5.04 0.33 -4.01 117.35 117.58 1ybj s TYR 54 Ca 0.24 -0.25 -0.13 0.00 -2.44 0.00 0.00 57.07 54.49 1ybj s TYR 54 Cb -0.08 -0.53 -0.06 0.00 0.35 0.00 0.00 41.96 41.64 1ybj s TYR 54 CO 0.13 -0.86 0.44 0.00 -1.34 0.00 0.00 175.55 173.92 1ybj s ALA 55 N 2.31 3.68 -0.07 3.97 0.00 -1.26 -0.62 121.76 129.77 1ybj s ALA 55 Ca 0.09 -0.25 -0.03 0.00 0.00 0.00 0.00 51.96 51.78 1ybj s ALA 55 Cb -0.15 -2.38 0.04 0.00 0.00 0.00 0.00 23.12 20.63 1ybj s ALA 55 CO -0.31 0.50 0.15 0.42 0.00 0.00 0.00 175.76 176.52 1ybj s ILE 56 N -1.25 -0.06 0.20 0.00 -1.09 0.71 -3.64 121.20 116.08 1ybj s ILE 56 Ca 0.29 0.19 0.09 0.00 -2.23 0.00 0.00 60.65 58.99 1ybj s ILE 56 Cb -0.16 -0.24 -0.04 0.00 -1.58 0.00 0.00 42.46 40.44 1ybj s ILE 56 CO 0.16 0.08 -0.04 -0.55 -1.23 0.00 0.00 174.94 173.35 1ybj s SER 57 N 1.22 4.48 0.05 3.58 0.15 0.27 0.23 113.70 123.69 1ybj s SER 57 Ca -0.09 -0.54 -0.37 0.00 0.70 0.00 0.00 55.95 55.66 1ybj s SER 57 Cb -0.12 -0.84 -0.16 0.00 -1.71 0.00 0.00 66.02 63.19 1ybj s SER 57 CO -0.06 0.08 1.41 -0.24 1.20 0.00 0.00 173.24 175.62 1ybj n SER 58 N -0.23 1.86 0.12 5.45 2.88 0.35 -4.84 113.62 119.21 1ybj n SER 58 Ca -0.09 1.11 0.13 0.00 -1.33 0.00 0.00 58.87 58.68 1ybj n SER 58 Cb 0.56 -1.21 0.43 0.00 -0.75 0.00 0.00 64.21 63.25 1ybj n SER 58 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ybj n THR 59 N 2.84 0.68 -0.05 2.46 -2.24 -1.26 -0.92 114.28 115.79 1ybj n THR 59 Ca 0.19 -0.11 -0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1ybj n THR 59 Cb 0.19 -0.79 -0.00 0.00 -2.10 0.00 0.00 70.33 67.63 1ybj n THR 59 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ybj h ALA 60 N 2.42 0.00 -0.03 6.98 0.00 -1.88 -3.41 119.26 123.34 1ybj h ALA 60 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ybj h ALA 60 Cb 0.62 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1ybj h ALA 60 CO 0.00 0.04 0.00 0.27 0.00 0.00 0.00 179.25 179.56 1ybj n ASN 61 N -4.75 1.52 -3.65 0.00 0.23 -1.26 -4.68 115.26 102.67 1ybj n ASN 61 Ca -0.01 -1.31 -0.25 0.00 -0.53 0.00 0.00 54.58 52.48 1ybj n ASN 61 Cb 0.02 -0.01 -0.05 0.00 -2.08 0.00 0.00 39.78 37.66 1ybj n ASN 61 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ybj n GLN 62 N 0.20 -1.54 0.01 -3.83 1.13 -0.10 -4.74 117.38 108.51 1ybj n GLN 62 Ca 0.03 0.08 0.00 0.00 -1.94 0.00 0.00 57.00 55.17 1ybj n GLN 62 Cb 0.14 -4.41 0.00 0.00 0.11 0.00 0.00 30.24 26.09 1ybj n GLN 62 CO 0.00 0.00 0.00 1.55 -1.44 0.00 0.00 177.06 177.17 1ybj n VAL 63 N -3.32 0.11 -1.79 5.09 3.14 -1.26 -4.76 118.33 115.54 1ybj n VAL 63 Ca 0.07 0.04 -0.39 0.00 -2.96 0.00 0.00 64.34 61.10 1ybj n VAL 63 Cb 0.45 -1.30 -0.03 0.00 -1.06 0.00 0.00 33.84 31.89 1ybj n VAL 63 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1ybj s THR 64 N -2.00 3.20 0.47 1.55 2.01 -1.26 0.15 115.64 119.76 1ybj s THR 64 Ca 0.00 0.15 0.03 0.00 0.31 0.00 0.00 61.69 62.18 1ybj s THR 64 Cb 0.00 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 1ybj s THR 64 CO 0.00 -0.37 0.01 0.00 -0.69 0.00 0.00 174.62 173.58 1ybj s ALA 65 N 9.82 3.72 -0.28 7.40 0.00 0.57 -0.49 121.76 142.51 1ybj s ALA 65 Ca 0.85 -1.07 -0.17 0.00 0.00 0.00 0.00 51.96 51.58 1ybj s ALA 65 Cb -0.19 0.12 0.08 0.00 0.00 0.00 0.00 23.12 23.13 1ybj s ALA 65 CO 0.27 -0.07 0.68 -0.59 0.00 0.00 0.00 175.76 176.05 1ybj s PHE 66 N -2.85 -1.02 -0.29 0.00 -0.71 0.14 -1.62 117.98 111.63 1ybj s PHE 66 Ca 0.16 2.08 -0.07 0.00 -1.04 0.00 0.00 56.93 58.07 1ybj s PHE 66 Cb 0.04 0.58 0.01 0.00 -1.21 0.00 0.00 43.02 42.44 1ybj s PHE 66 CO 0.09 -0.50 0.07 0.08 -1.34 0.00 0.00 175.22 173.62 1ybj s VAL 67 N 1.46 3.93 0.40 -2.49 1.01 0.86 -0.21 120.40 125.37 1ybj s VAL 67 Ca -0.09 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.11 1ybj s VAL 67 Cb -0.05 -3.02 -0.06 0.00 0.00 0.00 0.00 36.38 33.25 1ybj s VAL 67 CO -0.17 0.09 0.75 0.00 0.00 0.00 0.00 175.10 175.77 1ybj s ALA 68 N 1.50 3.38 -0.21 5.51 0.00 0.21 -0.00 121.76 132.15 1ybj s ALA 68 Ca 0.03 -0.27 -0.09 0.00 0.00 0.00 0.00 51.96 51.62 1ybj s ALA 68 Cb -0.17 -2.65 0.08 0.00 0.00 0.00 0.00 23.12 20.38 1ybj s ALA 68 CO 0.02 -0.01 0.47 0.20 0.00 0.00 0.00 175.76 176.44 1ybj s GLY 69 N -3.25 -0.42 0.00 0.00 0.00 0.33 -0.51 107.32 103.47 1ybj s GLY 69 Ca 0.50 1.71 0.00 0.00 0.00 0.00 0.00 44.72 46.93 1ybj s GLY 69 CO 0.32 2.18 0.00 0.61 0.00 0.00 0.00 173.10 176.21 1ybj n GLY 70 N 4.81 -1.41 2.74 0.20 0.00 0.18 0.24 105.19 111.95 1ybj n GLY 70 Ca -0.16 0.74 -0.02 0.00 0.00 0.00 0.00 46.02 46.58 1ybj n GLY 70 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ybj n ASN 71 N 0.00 -0.05 -4.76 1.61 4.05 0.23 -4.63 115.26 111.71 1ybj n ASN 71 Ca 0.00 -2.18 -0.38 0.00 0.45 0.00 0.00 54.58 52.46 1ybj n ASN 71 Cb 0.00 0.15 0.02 0.00 1.23 0.00 0.00 39.78 41.18 1ybj n ASN 71 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1ybj s LEU 72 N -3.87 3.98 -0.21 1.20 1.43 -1.07 -2.00 118.68 118.14 1ybj s LEU 72 Ca 0.18 2.67 -0.13 0.00 -1.03 0.00 0.00 54.13 55.82 1ybj s LEU 72 Cb 0.39 -4.16 0.06 0.00 0.03 0.00 0.00 46.19 42.52 1ybj s LEU 72 CO -0.08 -1.26 0.51 -0.89 0.23 0.00 0.00 176.35 174.87 1ybj s THR 73 N -1.34 -0.01 -0.12 5.49 2.01 -0.40 -2.61 115.64 118.66 1ybj s THR 73 Ca 0.66 0.05 -0.20 0.00 0.31 0.00 0.00 61.69 62.51 1ybj s THR 73 Cb -0.38 -0.75 -0.04 0.00 0.01 0.00 0.00 72.50 71.35 1ybj s THR 73 CO 0.46 0.02 0.54 -0.47 -0.69 0.00 0.00 174.62 174.48 1ybj s TYR 74 N 1.27 3.51 0.28 4.92 5.04 -0.39 -0.46 117.35 131.53 1ybj s TYR 74 Ca -0.08 0.96 0.01 0.00 -2.44 0.00 0.00 57.07 55.52 1ybj s TYR 74 Cb -0.07 -2.63 0.42 0.00 0.35 0.00 0.00 41.96 40.03 1ybj s TYR 74 CO -0.12 0.11 1.78 1.79 -1.34 0.00 0.00 175.55 177.77 1ybj h THR 75 N 4.79 1.23 0.00 4.34 1.35 -0.55 -3.46 112.91 120.61 1ybj h THR 75 Ca -0.40 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.47 1ybj h THR 75 Cb 1.18 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 1ybj h THR 75 CO 0.76 0.34 0.00 -0.11 -0.25 0.00 0.00 175.52 176.26 1ybj n LEU 76 N -4.21 0.00 -1.18 3.87 7.94 -1.26 -0.67 117.00 121.49 1ybj n LEU 76 Ca 0.02 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.03 1ybj n LEU 76 Cb 0.31 0.00 0.26 0.00 0.53 0.00 0.00 43.42 44.51 1ybj n LEU 76 CO 0.41 0.00 0.72 0.49 -1.11 0.00 0.00 177.39 177.90 1ybj n PHE 77 N 0.00 0.72 -1.66 1.96 3.01 -1.26 -2.44 117.46 117.79 1ybj n PHE 77 Ca 0.00 -0.39 -0.30 0.00 1.01 0.00 0.00 57.45 57.77 1ybj n PHE 77 Cb 0.00 -0.00 0.21 0.00 -0.01 0.00 0.00 39.48 39.68 1ybj n PHE 77 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1ybj s ASN 78 N -1.19 2.32 0.09 4.37 0.01 0.16 -4.90 114.94 115.81 1ybj s ASN 78 Ca 0.42 0.35 -0.26 0.00 -0.71 0.00 0.00 52.86 52.65 1ybj s ASN 78 Cb 0.23 -0.43 -0.10 0.00 0.41 0.00 0.00 41.25 41.36 1ybj s ASN 78 CO 0.30 -3.23 1.43 -0.33 -1.51 0.00 0.00 177.10 173.76 1ybj h GLU 79 N -1.98 -0.43 -0.39 -0.60 5.08 -1.93 -1.81 114.58 112.53 1ybj h GLU 79 Ca -0.44 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.03 1ybj h GLU 79 Cb 1.25 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 30.51 1ybj h GLU 79 CO 0.35 -0.29 -0.17 -1.35 -1.00 0.00 0.00 179.01 176.55 1ybj h PRO 80 N -0.44 -0.10 -1.78 2.33 0.11 -1.92 -3.49 132.00 126.71 1ybj h PRO 80 Ca 0.03 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1ybj h PRO 80 Cb 0.53 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.66 1ybj h PRO 80 CO -0.35 -0.07 -0.42 0.00 -0.21 0.00 0.00 178.00 176.96 1ybj n ALA 81 N -2.82 -2.55 -3.68 -0.75 0.00 -0.68 -4.82 120.51 105.21 1ybj n ALA 81 Ca 0.02 0.21 -0.21 0.00 0.00 0.00 0.00 53.44 53.46 1ybj n ALA 81 Cb 0.27 -0.92 0.04 0.00 0.00 0.00 0.00 19.45 18.84 1ybj n ALA 81 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ybj n HIS 82 N -0.09 -1.94 -4.01 0.00 8.25 -1.02 -4.90 115.22 111.50 1ybj n HIS 82 Ca 0.00 0.85 -0.10 0.00 -0.26 0.00 0.00 57.72 58.21 1ybj n HIS 82 Cb 0.00 -4.46 -0.07 0.00 1.12 0.00 0.00 29.99 26.58 1ybj n HIS 82 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1ybj s THR 83 N -3.64 0.05 0.12 1.59 -4.23 -1.26 -4.98 115.64 103.30 1ybj s THR 83 Ca 0.01 -1.51 0.06 0.00 -1.18 0.00 0.00 61.69 59.07 1ybj s THR 83 Cb -0.00 -1.98 -0.04 0.00 1.34 0.00 0.00 72.50 71.82 1ybj s THR 83 CO 0.80 -0.25 -0.03 -0.22 -0.54 0.00 0.00 174.62 174.39 1ybj s LEU 84 N -3.00 3.28 0.00 4.79 2.96 -1.26 0.23 118.68 125.68 1ybj s LEU 84 Ca 0.21 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 53.80 1ybj s LEU 84 Cb 0.04 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.72 1ybj s LEU 84 CO 0.03 0.15 0.00 0.00 -1.32 0.00 0.00 176.35 175.20 1ybj n TYR 85 N 0.38 0.00 -0.56 5.38 4.11 0.39 -4.52 117.16 122.34 1ybj n TYR 85 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.79 1ybj n TYR 85 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.87 1ybj n TYR 85 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1ybj n GLY 86 N 0.00 0.52 3.09 -7.48 0.00 -1.23 -1.28 105.19 98.82 1ybj n GLY 86 Ca 0.00 -1.62 -0.08 0.00 0.00 0.00 0.00 46.02 44.33 1ybj n GLY 86 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ybj s GLN 87 N 0.00 0.61 -0.07 1.61 -0.44 -0.84 -0.83 119.66 119.70 1ybj s GLN 87 Ca 0.00 -1.11 -0.04 0.00 -2.50 0.00 0.00 55.36 51.71 1ybj s GLN 87 Cb 0.00 0.22 0.03 0.00 -1.64 0.00 0.00 33.01 31.61 1ybj s GLN 87 CO 0.00 -0.12 0.16 -1.17 0.50 0.00 0.00 175.29 174.66 1ybj s LEU 88 N -2.73 1.04 0.12 3.68 2.96 0.81 0.74 118.68 125.30 1ybj s LEU 88 Ca 0.04 0.33 0.00 0.00 -0.22 0.00 0.00 54.13 54.28 1ybj s LEU 88 Cb 0.06 0.49 0.00 0.00 0.50 0.00 0.00 46.19 47.23 1ybj s LEU 88 CO -0.09 -0.10 0.00 -0.67 -1.32 0.00 0.00 176.35 174.17 1ybj n ASP 89 N 3.59 0.14 -4.75 3.68 2.03 0.27 -1.53 116.55 119.98 1ybj n ASP 89 Ca -0.19 0.20 -0.24 0.00 0.52 0.00 0.00 54.79 55.08 1ybj n ASP 89 Cb 0.56 0.08 -0.06 0.00 -0.72 0.00 0.00 41.12 40.98 1ybj n ASP 89 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1ybj s SER 90 N -5.18 5.17 0.04 1.67 1.04 0.14 -0.98 113.70 115.60 1ybj s SER 90 Ca 0.00 -0.35 -0.01 0.00 0.48 0.00 0.00 55.95 56.07 1ybj s SER 90 Cb 0.00 -1.22 -0.03 0.00 0.10 0.00 0.00 66.02 64.87 1ybj s SER 90 CO 0.00 0.01 -0.02 -0.76 0.98 0.00 0.00 173.24 173.45 1ybj s LEU 91 N -3.54 2.38 -0.25 2.42 2.01 -0.12 -0.52 118.68 121.07 1ybj s LEU 91 Ca 0.31 -0.83 -0.02 0.00 0.01 0.00 0.00 54.13 53.60 1ybj s LEU 91 Cb -0.08 0.20 0.12 0.00 0.01 0.00 0.00 46.19 46.43 1ybj s LEU 91 CO 0.22 -0.51 0.28 -0.44 1.01 0.00 0.00 176.35 176.91 1ybj s SER 92 N -2.46 1.29 0.17 2.29 0.01 1.00 0.41 113.70 116.40 1ybj s SER 92 Ca -0.00 -0.35 -0.10 0.00 1.31 0.00 0.00 55.95 56.80 1ybj s SER 92 Cb 0.02 0.57 -0.07 0.00 0.21 0.00 0.00 66.02 66.75 1ybj s SER 92 CO -0.07 -0.35 0.50 -0.36 0.41 0.00 0.00 173.24 173.37 1ybj s PHE 93 N 2.38 3.51 0.00 2.43 0.40 -0.02 -0.10 117.98 126.59 1ybj s PHE 93 Ca 0.09 0.86 0.00 0.00 -0.60 0.00 0.00 56.93 57.28 1ybj s PHE 93 Cb -0.15 -2.24 0.00 0.00 0.51 0.00 0.00 43.02 41.15 1ybj s PHE 93 CO -0.21 0.38 0.00 0.41 0.70 0.00 0.00 175.22 176.50 1ybj n GLY 94 N 0.36 1.26 3.61 4.36 0.00 -0.64 -2.11 105.19 112.02 1ybj n GLY 94 Ca -0.03 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 1ybj n GLY 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ybj s ASP 95 N 0.00 6.52 0.00 1.61 1.01 -1.20 -0.31 116.67 124.30 1ybj s ASP 95 Ca 0.00 0.50 0.00 0.00 0.71 0.00 0.00 52.55 53.76 1ybj s ASP 95 Cb 0.00 -2.33 0.00 0.00 1.01 0.00 0.00 42.92 41.60 1ybj s ASP 95 CO 0.00 -0.46 0.00 0.61 0.21 0.00 0.00 175.17 175.53 1ybj n GLY 96 N 4.36 -1.61 3.92 0.21 0.00 0.12 -2.66 105.19 109.53 1ybj n GLY 96 Ca -0.01 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.11 1ybj n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ybj s LEU 97 N 0.00 3.64 0.21 0.99 1.43 -1.26 0.69 118.68 124.38 1ybj s LEU 97 Ca 0.00 0.75 -0.08 0.00 -1.03 0.00 0.00 54.13 53.77 1ybj s LEU 97 Cb 0.00 -3.67 -0.02 0.00 0.03 0.00 0.00 46.19 42.54 1ybj s LEU 97 CO 0.00 -0.61 0.31 -0.55 0.23 0.00 0.00 176.35 175.73 1ybj s SER 98 N -4.13 0.02 -1.31 2.29 0.15 0.80 -0.48 113.70 111.04 1ybj s SER 98 Ca 0.47 -1.05 -0.02 0.00 0.70 0.00 0.00 55.95 56.06 1ybj s SER 98 Cb -0.10 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1ybj s SER 98 CO 0.43 -0.97 0.24 0.61 1.20 0.00 0.00 173.24 174.74 1ybj n GLY 99 N -0.29 -0.28 1.00 9.45 0.00 -1.26 -2.00 105.19 111.80 1ybj n GLY 99 Ca -0.02 -0.13 0.03 0.00 0.00 0.00 0.00 46.02 45.89 1ybj n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ybj n GLY 100 N -1.19 1.98 0.00 -0.02 0.00 -1.26 -3.24 105.19 101.47 1ybj n GLY 100 Ca -0.14 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1ybj n GLY 100 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ybj n ASP 101 N 0.24 0.00 -0.48 1.61 9.92 -1.26 -4.79 116.55 121.79 1ybj n ASP 101 Ca 0.10 0.00 0.04 0.00 -0.53 0.00 0.00 54.79 54.41 1ybj n ASP 101 Cb 0.59 -0.00 0.11 0.00 -0.64 0.00 0.00 41.12 41.18 1ybj n ASP 101 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1ybj n THR 102 N -1.12 0.97 -4.50 -3.53 -2.24 -1.26 -4.99 114.28 97.61 1ybj n THR 102 Ca 0.00 -0.98 -0.24 0.00 -2.27 0.00 0.00 64.05 60.56 1ybj n THR 102 Cb 0.00 0.52 -0.11 0.00 -2.10 0.00 0.00 70.33 68.65 1ybj n THR 102 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ybj s SER 103 N -0.99 3.01 0.48 3.42 0.01 -1.20 -5.14 113.70 113.29 1ybj s SER 103 Ca 0.17 -1.31 -0.20 0.00 1.31 0.00 0.00 55.95 55.92 1ybj s SER 103 Cb 0.09 -0.22 -0.09 0.00 0.21 0.00 0.00 66.02 66.01 1ybj s SER 103 CO 0.12 -0.46 1.00 -2.84 0.41 0.00 0.00 173.24 171.46 1ybj s PRO 104 N -3.78 3.94 0.45 12.44 0.02 -1.25 -4.33 135.00 142.49 1ybj s PRO 104 Ca 0.34 1.19 -0.24 0.00 0.02 0.00 0.00 61.00 62.31 1ybj s PRO 104 Cb 0.07 -2.13 -0.08 0.00 0.02 0.00 0.00 34.50 32.39 1ybj s PRO 104 CO 0.15 -0.29 1.29 0.71 -0.33 0.00 0.00 177.00 178.53 1ybj s TYR 105 N -2.20 2.71 -0.05 6.54 2.02 -1.26 -4.67 117.35 120.44 1ybj s TYR 105 Ca 0.64 1.42 -0.04 0.00 -0.37 0.00 0.00 57.07 58.72 1ybj s TYR 105 Cb -0.13 -3.64 0.02 0.00 -0.40 0.00 0.00 41.96 37.81 1ybj s TYR 105 CO 0.21 -2.16 0.12 -1.54 -1.57 0.00 0.00 175.55 170.61 1ybj s SER 106 N -0.91 -0.12 -0.14 2.29 1.04 -0.85 -4.94 113.70 110.08 1ybj s SER 106 Ca 0.61 0.24 -0.29 0.00 0.48 0.00 0.00 55.95 56.99 1ybj s SER 106 Cb -0.37 0.22 -0.01 0.00 0.10 0.00 0.00 66.02 65.97 1ybj s SER 106 CO 0.46 -0.06 1.03 -0.63 0.98 0.00 0.00 173.24 175.02 1ybj s ILE 107 N 0.27 4.71 0.06 -1.02 1.09 -1.26 -0.14 121.20 124.91 1ybj s ILE 107 Ca -0.02 2.00 -0.22 0.00 -1.10 0.00 0.00 60.65 61.32 1ybj s ILE 107 Cb -0.03 -4.29 -0.13 0.00 -1.06 0.00 0.00 42.46 36.95 1ybj s ILE 107 CO -0.01 -0.05 1.55 1.56 -0.10 0.00 0.00 174.94 177.89 1ybj h GLN 108 N 7.24 0.18 -3.59 2.79 4.20 0.12 -3.33 115.11 122.72 1ybj h GLN 108 Ca -0.28 -0.04 -0.70 0.00 0.06 0.00 0.00 58.65 57.69 1ybj h GLN 108 Cb 1.12 -0.02 -0.35 0.00 0.30 0.00 0.00 27.48 28.53 1ybj h GLN 108 CO 0.89 0.35 -0.33 0.08 -0.67 0.00 0.00 178.83 179.15 1ybj s VAL 109 N -5.29 3.83 -0.44 -0.54 1.01 -1.09 -5.04 120.40 112.85 1ybj s VAL 109 Ca -0.14 -2.96 -0.26 0.00 0.00 0.00 0.00 61.98 58.62 1ybj s VAL 109 Cb 0.06 -3.48 -0.07 0.00 0.00 0.00 0.00 36.38 32.88 1ybj s VAL 109 CO 0.70 -0.89 2.38 -0.81 0.00 0.00 0.00 175.10 176.48 1ybj n PRO 110 N 3.48 1.22 -0.11 2.72 -0.04 -1.25 -3.26 135.00 137.76 1ybj n PRO 110 Ca 0.08 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1ybj n PRO 110 Cb 0.38 -3.40 0.00 0.00 -0.04 0.00 0.00 33.50 30.45 1ybj n PRO 110 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ybj n ASP 111 N 15.07 0.00 -4.76 3.54 9.92 -0.90 -4.65 116.55 134.77 1ybj n ASP 111 Ca 0.36 -0.47 -0.41 0.00 -0.53 0.00 0.00 54.79 53.74 1ybj n ASP 111 Cb 0.52 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.99 1ybj n ASP 111 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ybj s VAL 112 N 0.00 2.37 0.54 2.53 1.01 -1.25 -4.31 120.40 121.29 1ybj s VAL 112 Ca 0.00 0.34 0.02 0.00 0.00 0.00 0.00 61.98 62.34 1ybj s VAL 112 Cb 0.00 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 33.18 1ybj s VAL 112 CO 0.00 0.07 0.13 -0.44 0.00 0.00 0.00 175.10 174.86 1ybj s SER 113 N -0.01 4.31 0.03 3.32 0.01 0.48 -0.84 113.70 121.00 1ybj s SER 113 Ca 0.55 -1.57 -0.05 0.00 1.31 0.00 0.00 55.95 56.19 1ybj s SER 113 Cb -0.44 0.63 -0.01 0.00 0.21 0.00 0.00 66.02 66.41 1ybj s SER 113 CO 0.53 -1.00 0.09 -0.36 0.41 0.00 0.00 173.24 172.92 1ybj s PHE 114 N -2.87 0.17 -0.28 2.43 0.40 0.16 -0.23 117.98 117.77 1ybj s PHE 114 Ca 0.11 -0.42 -0.20 0.00 -0.60 0.00 0.00 56.93 55.82 1ybj s PHE 114 Cb -0.01 -0.13 0.08 0.00 0.51 0.00 0.00 43.02 43.48 1ybj s PHE 114 CO 0.07 -0.33 0.74 0.20 0.70 0.00 0.00 175.22 176.61 1ybj s GLY 115 N -1.88 -0.52 0.00 4.36 0.00 -0.68 -0.94 107.32 107.65 1ybj s GLY 115 Ca -0.08 2.36 0.00 0.00 0.00 0.00 0.00 44.72 47.00 1ybj s GLY 115 CO -0.03 2.16 0.00 0.61 0.00 0.00 0.00 173.10 175.84 1ybj n GLY 116 N 3.57 1.15 0.20 0.20 0.00 -0.45 0.46 105.19 110.32 1ybj n GLY 116 Ca -0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 1ybj n GLY 116 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ybj h LEU 117 N 0.00 0.43 0.90 0.99 3.38 -1.28 -3.36 115.31 116.36 1ybj h LEU 117 Ca 0.00 0.01 -0.39 0.00 0.09 0.00 0.00 57.88 57.59 1ybj h LEU 117 Cb 0.00 -0.08 -0.15 0.00 0.09 0.00 0.00 40.66 40.52 1ybj h LEU 117 CO 0.00 0.30 -0.35 -3.20 0.09 0.00 0.00 178.44 175.28 1ybj n ASN 118 N -4.84 -5.57 -4.74 -0.43 5.15 -0.73 -4.94 115.26 99.16 1ybj n ASN 118 Ca 0.03 0.47 -0.38 0.00 -0.60 0.00 0.00 54.58 54.10 1ybj n ASN 118 Cb 0.08 -4.74 -0.06 0.00 -0.53 0.00 0.00 39.78 34.53 1ybj n ASN 118 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 1ybj s LEU 119 N -4.30 4.32 0.20 1.20 0.05 -0.58 -4.88 118.68 114.69 1ybj s LEU 119 Ca 0.00 0.83 0.03 0.00 0.05 0.00 0.00 54.13 55.04 1ybj s LEU 119 Cb 0.00 -2.66 -0.05 0.00 -2.05 0.00 0.00 46.19 41.44 1ybj s LEU 119 CO 0.00 0.07 0.00 -0.94 -0.55 0.00 0.00 176.35 174.94 1ybj s SER 120 N 0.26 1.48 0.01 1.48 1.04 -1.26 -0.13 113.70 116.57 1ybj s SER 120 Ca 0.25 -1.20 -0.07 0.00 0.48 0.00 0.00 55.95 55.41 1ybj s SER 120 Cb -0.15 0.07 -0.00 0.00 0.10 0.00 0.00 66.02 66.04 1ybj s SER 120 CO 0.11 -0.55 0.13 -0.94 0.98 0.00 0.00 173.24 172.96 1ybj s SER 121 N -3.24 0.06 0.96 7.02 1.04 -0.01 -4.86 113.70 114.67 1ybj s SER 121 Ca 0.27 -0.27 -0.12 0.00 0.48 0.00 0.00 55.95 56.30 1ybj s SER 121 Cb 0.06 0.21 0.16 0.00 0.10 0.00 0.00 66.02 66.55 1ybj s SER 121 CO 0.06 -0.40 1.09 -0.76 0.98 0.00 0.00 173.24 174.22 1ybj s LEU 122 N -1.53 1.99 0.13 2.42 1.43 -1.26 -3.57 118.68 118.29 1ybj s LEU 122 Ca -0.13 1.52 -0.28 0.00 -1.03 0.00 0.00 54.13 54.21 1ybj s LEU 122 Cb -0.07 -3.82 -0.05 0.00 0.03 0.00 0.00 46.19 42.29 1ybj s LEU 122 CO 0.00 -3.01 1.59 -0.61 0.23 0.00 0.00 176.35 174.56 1ybj h GLN 123 N -1.81 -0.46 -0.59 1.70 5.75 -1.98 -2.35 115.11 115.37 1ybj h GLN 123 Ca -0.52 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 1ybj h GLN 123 Cb 1.30 0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.95 1ybj h GLN 123 CO 0.53 -0.31 0.00 0.00 -2.65 0.00 0.00 178.83 176.40 1ybj n ALA 124 N -2.88 2.57 0.46 3.38 0.00 -1.26 -3.51 120.51 119.27 1ybj n ALA 124 Ca -0.04 -0.15 0.13 0.00 0.00 0.00 0.00 53.44 53.38 1ybj n ALA 124 Cb 0.35 -1.00 0.45 0.00 0.00 0.00 0.00 19.45 19.24 1ybj n ALA 124 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1ybj h GLN 125 N 0.37 0.00 0.00 0.00 1.08 -1.78 -3.48 115.11 111.31 1ybj h GLN 125 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ybj h GLN 125 Cb 0.40 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 1ybj h GLN 125 CO 0.03 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.32 1ybj n GLY 126 N 0.63 2.68 0.23 3.46 0.00 -1.23 -0.89 105.19 110.07 1ybj n GLY 126 Ca 0.03 0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.36 1ybj n GLY 126 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1ybj h HIS 127 N 0.00 0.00 0.00 1.61 -0.00 -1.91 -3.25 115.15 111.60 1ybj h HIS 127 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1ybj h HIS 127 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 1ybj h HIS 127 CO 0.00 0.01 -0.45 0.22 -0.00 0.00 0.00 177.93 177.72 1ybj h ASP 128 N 0.00 0.00 -2.31 3.26 3.58 -1.39 -3.37 116.42 116.19 1ybj h ASP 128 Ca -0.00 -0.07 -0.56 0.00 0.42 0.00 0.00 57.03 56.82 1ybj h ASP 128 Cb 0.94 0.00 0.03 0.00 1.72 0.00 0.00 39.33 42.02 1ybj h ASP 128 CO 0.00 0.04 1.11 0.61 -2.88 0.00 0.00 179.24 178.11 1ybj n GLY 129 N 1.24 1.61 0.44 -0.78 0.00 -0.62 -4.84 105.19 102.23 1ybj n GLY 129 Ca 0.03 0.78 0.25 0.00 0.00 0.00 0.00 46.02 47.08 1ybj n GLY 129 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1ybj h VAL 130 N 5.02 0.56 -0.62 1.61 -1.51 -1.89 0.21 116.25 119.63 1ybj h VAL 130 Ca -0.48 -0.09 -0.06 0.00 -1.23 0.00 0.00 66.70 64.84 1ybj h VAL 130 Cb 1.24 0.28 -0.03 0.00 -2.13 0.00 0.00 31.29 30.66 1ybj h VAL 130 CO 0.94 0.05 0.14 -0.37 -1.23 0.00 0.00 177.57 177.09 1ybj h VAL 131 N 0.25 1.26 -0.63 7.19 -1.51 -1.88 0.13 116.25 121.06 1ybj h VAL 131 Ca 0.52 -0.94 -0.06 0.00 -1.23 0.00 0.00 66.70 64.99 1ybj h VAL 131 Cb 1.56 0.68 -0.03 0.00 -2.13 0.00 0.00 31.29 31.37 1ybj h VAL 131 CO -0.15 0.35 0.16 -0.74 -1.23 0.00 0.00 177.57 175.96 1ybj h HIS 132 N 0.92 1.01 0.61 5.19 6.17 -0.88 -2.36 115.15 125.81 1ybj h HIS 132 Ca 0.19 -0.10 -0.03 0.00 0.71 0.00 0.00 60.37 61.14 1ybj h HIS 132 Cb 0.38 -0.29 0.01 0.00 2.52 0.00 0.00 27.41 30.02 1ybj h HIS 132 CO 0.03 0.82 -0.29 1.96 0.71 0.00 0.00 177.93 181.16 1ybj h GLN 133 N 0.93 -0.79 -0.75 5.26 1.08 -0.71 -2.87 115.11 117.26 1ybj h GLN 133 Ca 0.20 0.05 0.04 0.00 -1.45 0.00 0.00 58.65 57.49 1ybj h GLN 133 Cb 0.32 0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 27.88 1ybj h GLN 133 CO -0.00 -0.53 0.50 -0.39 -0.95 0.00 0.00 178.83 177.46 1ybj h VAL 134 N -0.95 1.11 -0.37 -0.54 -1.51 -1.02 0.11 116.25 113.10 1ybj h VAL 134 Ca -0.08 -0.31 -0.06 0.00 -1.23 0.00 0.00 66.70 65.01 1ybj h VAL 134 Cb 0.63 0.12 -0.01 0.00 -2.13 0.00 0.00 31.29 29.90 1ybj h VAL 134 CO 0.14 0.17 -0.01 1.62 -1.23 0.00 0.00 177.57 178.26 1ybj h VAL 135 N 0.91 1.26 0.00 7.19 3.04 -1.48 0.19 116.25 127.36 1ybj h VAL 135 Ca 0.30 -1.01 -0.09 0.00 -1.01 0.00 0.00 66.70 64.89 1ybj h VAL 135 Cb 0.06 1.19 -0.01 0.00 -2.01 0.00 0.00 31.29 30.52 1ybj h VAL 135 CO -0.09 0.33 -0.45 1.88 -1.01 0.00 0.00 177.57 178.24 1ybj h TYR 136 N 0.47 0.00 0.42 3.17 -1.99 -1.21 -0.80 116.97 117.02 1ybj h TYR 136 Ca 0.10 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.81 1ybj h TYR 136 Cb 0.48 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.21 1ybj h TYR 136 CO 0.04 0.45 -0.20 0.78 -0.00 0.00 0.00 178.16 179.22 1ybj h GLY 137 N 1.94 -0.59 -0.06 3.88 0.00 -0.26 -1.25 103.07 106.73 1ybj h GLY 137 Ca -0.00 0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.57 1ybj h GLY 137 CO 0.06 -0.21 -0.51 1.41 0.00 0.00 0.00 176.54 177.29 1ybj h LEU 138 N -0.61 -1.60 -2.14 3.11 -0.00 -0.37 0.56 115.31 114.27 1ybj h LEU 138 Ca -0.06 0.18 0.08 0.00 -0.00 0.00 0.00 57.88 58.08 1ybj h LEU 138 Cb 0.46 0.61 -0.01 0.00 -0.00 0.00 0.00 40.66 41.72 1ybj h LEU 138 CO 0.09 -0.48 0.28 0.24 -0.00 0.00 0.00 178.44 178.58 1ybj h MET 139 N -0.59 0.00 -0.01 1.13 2.86 -1.15 0.82 114.93 117.98 1ybj h MET 139 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1ybj h MET 139 Cb 0.66 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.32 1ybj h MET 139 CO -0.37 0.00 -0.23 0.43 1.06 0.00 0.00 176.91 177.80 1ybj n SER 140 N -3.82 1.66 0.00 1.22 7.64 -0.48 -4.92 113.62 114.93 1ybj n SER 140 Ca 0.04 -1.34 0.00 0.00 1.01 0.00 0.00 58.87 58.58 1ybj n SER 140 Cb 0.42 0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1ybj n SER 140 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ybj n GLY 141 N 1.33 0.39 3.62 0.23 0.00 0.28 -5.01 105.19 106.04 1ybj n GLY 141 Ca 0.13 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 1ybj n GLY 141 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ybj s ASP 142 N -2.98 5.18 0.00 1.61 2.15 0.19 -4.78 116.67 118.04 1ybj s ASP 142 Ca 0.00 0.05 0.10 0.00 0.43 0.00 0.00 52.55 53.13 1ybj s ASP 142 Cb 0.00 -1.65 0.24 0.00 -0.30 0.00 0.00 42.92 41.21 1ybj s ASP 142 CO 0.00 0.28 1.17 0.35 -0.17 0.00 0.00 175.17 176.79 1ybj n THR 143 N 2.81 0.85 -0.01 1.71 -2.24 -1.26 -3.59 114.28 112.55 1ybj n THR 143 Ca -0.18 -0.93 -0.17 0.00 -2.27 0.00 0.00 64.05 60.50 1ybj n THR 143 Cb 0.53 0.61 -0.10 0.00 -2.10 0.00 0.00 70.33 69.27 1ybj n THR 143 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1ybj h GLY 144 N 1.82 0.59 2.00 3.38 0.00 -1.93 0.15 103.07 109.08 1ybj h GLY 144 Ca 0.00 -0.93 -0.11 0.00 0.00 0.00 0.00 47.33 46.29 1ybj h GLY 144 CO 0.00 0.83 -0.51 0.00 0.00 0.00 0.00 176.54 176.86 1ybj h ALA 145 N 0.41 0.86 -0.03 3.60 0.00 -1.92 -2.84 119.26 119.34 1ybj h ALA 145 Ca -0.07 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 1ybj h ALA 145 Cb 1.32 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ybj h ALA 145 CO 0.13 0.64 -0.16 1.25 0.00 0.00 0.00 179.25 181.11 1ybj h LEU 146 N 0.00 0.19 -1.39 0.00 6.46 -1.80 -2.03 115.31 116.74 1ybj h LEU 146 Ca -0.01 -0.68 0.08 0.00 -0.12 0.00 0.00 57.88 57.16 1ybj h LEU 146 Cb 1.13 -0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.95 1ybj h LEU 146 CO 0.07 0.83 0.49 1.05 -0.62 0.00 0.00 178.44 180.26 1ybj h GLU 147 N -0.45 0.68 -0.19 1.25 4.11 -0.72 0.27 114.58 119.53 1ybj h GLU 147 Ca -0.01 -0.04 -0.19 0.00 0.07 0.00 0.00 59.36 59.19 1ybj h GLU 147 Cb 0.84 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1ybj h GLU 147 CO 0.03 0.45 -0.64 0.00 0.07 0.00 0.00 179.01 178.92 1ybj h THR 148 N 0.70 1.30 -0.17 -1.06 1.03 -1.47 -0.04 112.91 113.20 1ybj h THR 148 Ca 0.34 -1.87 -0.02 0.00 -0.01 0.00 0.00 66.41 64.84 1ybj h THR 148 Cb 0.39 1.83 -0.01 0.00 -1.07 0.00 0.00 68.15 69.30 1ybj h THR 148 CO -0.12 0.59 0.01 0.00 -0.01 0.00 0.00 175.52 176.00 1ybj h ALA 149 N 0.76 0.23 -0.49 0.00 0.00 -0.52 -3.02 119.26 116.22 1ybj h ALA 149 Ca -0.01 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.78 1ybj h ALA 149 Cb 1.23 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 1ybj h ALA 149 CO 0.13 -0.08 0.19 -0.07 0.00 0.00 0.00 179.25 179.42 1ybj h LEU 150 N 0.06 0.22 -1.40 0.00 3.38 -0.42 -0.45 115.31 116.70 1ybj h LEU 150 Ca 0.05 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1ybj h LEU 150 Cb 0.35 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1ybj h LEU 150 CO 0.01 0.15 0.16 0.78 0.09 0.00 0.00 178.44 179.63 1ybj h ASN 151 N 0.38 0.00 -0.25 -0.43 2.35 -0.87 -1.79 115.58 114.96 1ybj h ASN 151 Ca 0.23 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.79 1ybj h ASN 151 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1ybj h ASN 151 CO -0.22 0.00 -0.61 1.23 -1.65 0.00 0.00 177.43 176.18 1ybj h GLY 152 N 0.00 0.95 0.00 2.83 0.00 -0.99 -1.16 103.07 104.70 1ybj h GLY 152 Ca 0.00 -1.16 -0.03 0.00 0.00 0.00 0.00 47.33 46.14 1ybj h GLY 152 CO 0.00 1.04 -0.17 -2.22 0.00 0.00 0.00 176.54 175.19 1ybj h ILE 153 N 0.64 1.48 -0.86 2.60 5.03 -1.46 -3.38 117.51 121.56 1ybj h ILE 153 Ca -0.00 -2.18 0.10 0.00 -0.12 0.00 0.00 64.86 62.66 1ybj h ILE 153 Cb 1.23 2.87 -0.08 0.00 -3.03 0.00 0.00 36.82 37.81 1ybj h ILE 153 CO 0.13 0.50 0.50 -0.07 -0.68 0.00 0.00 178.15 178.54 1ybj h LEU 154 N -1.00 0.71 -2.31 1.44 -0.00 -1.52 -2.02 115.31 110.61 1ybj h LEU 154 Ca -0.05 0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.88 1ybj h LEU 154 Cb 0.94 -0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 41.51 1ybj h LEU 154 CO -0.03 0.39 -0.04 -0.78 -0.00 0.00 0.00 178.44 177.98 1ybj h ASP 155 N 0.82 0.00 0.74 -0.43 3.58 -1.21 0.29 116.42 120.20 1ybj h ASP 155 Ca 0.42 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.83 1ybj h ASP 155 Cb 0.42 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 1ybj h ASP 155 CO -0.26 0.04 -0.19 -0.78 -2.88 0.00 0.00 179.24 175.17 1ybj h ASP 156 N 0.00 0.00 -0.03 2.28 3.58 -1.54 -2.59 116.42 118.11 1ybj h ASP 156 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1ybj h ASP 156 Cb 0.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.22 1ybj h ASP 156 CO 0.01 0.19 0.00 -1.22 -2.88 0.00 0.00 179.24 175.34 1ybj n TYR 157 N -3.46 0.03 -0.48 0.28 4.01 0.33 -4.91 117.16 112.97 1ybj n TYR 157 Ca -0.01 -0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 1ybj n TYR 157 Cb 0.37 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.39 1ybj n TYR 157 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ybj n GLY 158 N 0.51 0.72 0.35 2.72 0.00 0.45 -4.96 105.19 104.97 1ybj n GLY 158 Ca 0.06 -0.36 -0.02 0.00 0.00 0.00 0.00 46.02 45.69 1ybj n GLY 158 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ybj n LEU 159 N 0.00 0.00 -3.83 0.99 7.99 0.74 -4.90 117.00 117.99 1ybj n LEU 159 Ca 0.00 -0.22 -0.06 0.00 -0.01 0.00 0.00 56.01 55.72 1ybj n LEU 159 Cb 0.00 -0.04 0.01 0.00 -0.11 0.00 0.00 43.42 43.28 1ybj n LEU 159 CO 0.00 -0.52 0.67 -0.94 -1.51 0.00 0.00 177.39 175.08 1ybj s SER 160 N -1.33 -0.04 0.58 -1.43 1.04 -1.26 -3.37 113.70 107.88 1ybj s SER 160 Ca 0.06 -0.81 0.27 0.00 0.48 0.00 0.00 55.95 55.94 1ybj s SER 160 Cb -0.00 0.65 1.62 0.00 0.10 0.00 0.00 66.02 68.39 1ybj s SER 160 CO 0.04 -1.28 2.13 1.62 0.98 0.00 0.00 173.24 176.72 1ybj h VAL 161 N 2.00 0.57 -0.49 5.02 3.04 -1.90 -1.80 116.25 122.69 1ybj h VAL 161 Ca -0.28 0.00 -0.24 0.00 -1.01 0.00 0.00 66.70 65.17 1ybj h VAL 161 Cb 1.23 0.88 -0.14 0.00 -2.01 0.00 0.00 31.29 31.25 1ybj h VAL 161 CO 0.35 0.00 0.30 0.59 -1.01 0.00 0.00 177.57 177.80 1ybj n ASN 162 N -3.95 3.39 0.00 3.17 3.02 -1.26 -1.42 115.26 118.22 1ybj n ASN 162 Ca 0.01 -2.79 0.00 0.00 -0.03 0.00 0.00 54.58 51.77 1ybj n ASN 162 Cb 0.28 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 1ybj n ASN 162 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1ybj n SER 163 N -0.27 0.00 -3.63 6.41 2.88 -0.68 -4.90 113.62 113.43 1ybj n SER 163 Ca 0.29 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.68 1ybj n SER 163 Cb 1.07 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.45 1ybj n SER 163 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1ybj s THR 164 N 1.01 0.00 0.24 2.46 2.01 -1.25 -3.48 115.64 116.63 1ybj s THR 164 Ca 0.00 -0.02 -0.10 0.00 0.31 0.00 0.00 61.69 61.88 1ybj s THR 164 Cb 0.00 -0.92 0.33 0.00 0.01 0.00 0.00 72.50 71.93 1ybj s THR 164 CO 0.00 -0.01 1.60 -0.26 -0.69 0.00 0.00 174.62 175.26 1ybj h PHE 165 N 4.63 -0.39 0.00 4.92 0.04 -0.58 0.33 116.94 125.90 1ybj h PHE 165 Ca -0.28 0.07 -0.04 0.00 2.80 0.00 0.00 57.97 60.52 1ybj h PHE 165 Cb 1.16 0.30 -0.01 0.00 2.20 0.00 0.00 35.95 39.60 1ybj h PHE 165 CO 0.39 -0.34 -0.17 0.38 -0.60 0.00 0.00 178.31 177.97 1ybj h ASP 166 N 0.01 0.00 0.00 2.17 2.03 -1.86 -2.50 116.42 116.26 1ybj h ASP 166 Ca 0.39 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.60 1ybj h ASP 166 Cb 0.61 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.09 1ybj h ASP 166 CO -0.81 0.17 -0.49 1.56 -1.03 0.00 0.00 179.24 178.63 1ybj h GLN 167 N 0.00 0.00 0.40 4.15 4.20 -0.89 -3.27 115.11 119.70 1ybj h GLN 167 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1ybj h GLN 167 Cb 0.67 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 1ybj h GLN 167 CO 0.02 0.85 -0.37 0.28 -0.67 0.00 0.00 178.83 178.94 1ybj h VAL 168 N -1.00 0.24 -0.52 -0.54 2.07 -0.50 0.36 116.25 116.37 1ybj h VAL 168 Ca -0.13 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.48 1ybj h VAL 168 Cb 0.99 0.24 -0.07 0.00 -1.52 0.00 0.00 31.29 30.93 1ybj h VAL 168 CO -0.08 0.00 0.12 0.00 0.02 0.00 0.00 177.57 177.63 1ybj h ALA 169 N -0.37 0.60 -0.44 1.67 0.00 -1.66 -0.08 119.26 118.98 1ybj h ALA 169 Ca -0.03 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1ybj h ALA 169 Cb 0.70 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1ybj h ALA 169 CO -0.04 -0.29 -0.06 0.00 0.00 0.00 0.00 179.25 178.85 1ybj h ALA 170 N 1.40 1.08 0.00 0.00 0.00 -1.53 -0.03 119.26 120.18 1ybj h ALA 170 Ca 0.26 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1ybj h ALA 170 Cb 0.35 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1ybj h ALA 170 CO -0.33 0.57 -0.62 0.00 0.00 0.00 0.00 179.25 178.88 1ybj h ALA 171 N 1.25 0.91 0.00 0.00 0.00 0.88 0.81 119.26 123.11 1ybj h ALA 171 Ca 0.13 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1ybj h ALA 171 Cb 0.51 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1ybj h ALA 171 CO 0.03 0.77 -0.98 1.79 0.00 0.00 0.00 179.25 180.86 1ybj h THR 172 N 0.00 0.10 -0.05 0.00 1.35 -0.92 0.29 112.91 113.68 1ybj h THR 172 Ca -0.01 -1.20 -0.09 0.00 -0.55 0.00 0.00 66.41 64.57 1ybj h THR 172 Cb 1.14 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 1ybj h THR 172 CO 0.08 0.06 -0.31 0.00 -0.25 0.00 0.00 175.52 175.10 1ybj h ALA 173 N 1.89 0.10 0.00 6.62 0.00 -0.51 -3.40 119.26 123.96 1ybj h ALA 173 Ca -0.03 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1ybj h ALA 173 Cb 1.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1ybj h ALA 173 CO 0.01 0.16 0.00 1.55 0.00 0.00 0.00 179.25 180.97 1ybj n VAL 174 N -4.45 0.00 0.30 0.00 3.14 0.06 -4.85 118.33 112.53 1ybj n VAL 174 Ca -0.09 0.00 0.19 0.00 -2.96 0.00 0.00 64.34 61.48 1ybj n VAL 174 Cb 0.50 0.14 0.92 0.00 -1.06 0.00 0.00 33.84 34.33 1ybj n VAL 174 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1ybj h GLY 175 N 0.00 0.00 -6.99 7.55 0.00 -0.10 -3.44 103.07 100.09 1ybj h GLY 175 Ca 0.00 0.00 -0.80 0.00 0.00 0.00 0.00 47.33 46.53 1ybj h GLY 175 CO 0.00 0.00 1.14 3.33 0.00 0.00 0.00 176.54 181.01 1ybj n VAL 176 N -3.18 0.01 -2.20 4.60 0.24 0.93 -3.69 118.33 115.04 1ybj n VAL 176 Ca -0.01 -0.01 -0.02 0.00 -2.04 0.00 0.00 64.34 62.25 1ybj n VAL 176 Cb 0.20 -0.56 -0.02 0.00 -1.47 0.00 0.00 33.84 31.99 1ybj n VAL 176 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ybj n GLN 177 N 6.48 -3.82 0.00 7.34 6.02 -1.26 -5.12 117.38 127.02 1ybj n GLN 177 Ca 0.47 2.93 0.14 0.00 -0.01 0.00 0.00 57.00 60.53 1ybj n GLN 177 Cb -0.03 -3.99 0.51 0.00 1.02 0.00 0.00 30.24 27.75 1ybj n GLN 177 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77