#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 3.59 0.20 0.00 5.36 -1.25 -3.95 117.98 121.93 1ybj s PHE 2 Ca 0.00 1.54 -0.23 0.00 -0.96 0.00 0.00 56.93 57.28 1ybj s PHE 2 Cb 0.00 -2.75 0.05 0.00 -0.34 0.00 0.00 43.02 39.98 1ybj s PHE 2 CO 0.00 0.21 0.83 -1.12 -1.46 0.00 0.00 175.22 173.68 1ybj s SER 3 N -1.77 -0.25 -0.21 6.13 0.01 0.19 -4.49 113.70 113.31 1ybj s SER 3 Ca 0.49 -0.44 -0.22 0.00 1.31 0.00 0.00 55.95 57.09 1ybj s SER 3 Cb -0.16 0.59 -0.02 0.00 0.21 0.00 0.00 66.02 66.64 1ybj s SER 3 CO 0.21 -1.08 0.67 0.54 0.41 0.00 0.00 173.24 173.99 1ybj s VAL 4 N -3.57 4.98 -0.69 3.43 0.11 -1.26 -2.83 120.40 120.56 1ybj s VAL 4 Ca 0.11 1.27 -0.02 0.00 -2.93 0.00 0.00 61.98 60.40 1ybj s VAL 4 Cb -0.03 -3.98 0.34 0.00 -1.53 0.00 0.00 36.38 31.17 1ybj s VAL 4 CO 0.03 0.07 2.13 0.59 -3.33 0.00 0.00 175.10 174.58 1ybj n ASN 5 N 5.27 7.38 -4.79 3.54 3.02 0.87 -4.84 115.26 125.72 1ybj n ASN 5 Ca 0.00 -3.68 -0.34 0.00 -0.03 0.00 0.00 54.58 50.53 1ybj n ASN 5 Cb 0.49 -1.06 -0.01 0.00 -0.61 0.00 0.00 39.78 38.59 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 -3.50 2.83 -0.27 3.10 1.13 -1.25 -1.22 117.35 118.16 1ybj s TYR 6 Ca 0.56 1.56 -0.28 0.00 -1.41 0.00 0.00 57.07 57.49 1ybj s TYR 6 Cb 0.44 -3.17 -0.03 0.00 -1.10 0.00 0.00 41.96 38.10 1ybj s TYR 6 CO -0.22 -1.23 1.97 0.34 -2.51 0.00 0.00 175.55 173.91 1ybj s ASP 7 N -1.95 5.73 0.00 -0.18 2.15 -1.26 -4.78 116.67 116.38 1ybj s ASP 7 Ca 0.70 1.59 0.00 0.00 0.43 0.00 0.00 52.55 55.26 1ybj s ASP 7 Cb -0.20 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 1ybj s ASP 7 CO 0.25 -1.79 0.83 -1.54 -0.17 0.00 0.00 175.17 172.75 1ybj n SER 8 N 10.78 -1.67 0.00 -0.34 3.41 -1.26 -2.20 113.62 122.34 1ybj n SER 8 Ca 0.26 -1.12 0.00 0.00 -0.26 0.00 0.00 58.87 57.75 1ybj n SER 8 Cb 0.46 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 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 4.09 0.00 -1.08 4.04 2.88 -1.26 -4.93 113.62 117.36 1ybj n SER 9 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 1ybj n SER 9 Cb 0.42 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 64.06 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 -0.44 0.91 -1.96 0.66 3.72 -0.94 -4.82 117.46 114.60 1ybj n PHE 10 Ca 0.00 -0.33 -0.36 0.00 -0.05 0.00 0.00 57.45 56.71 1ybj n PHE 10 Cb 0.00 -0.25 -0.04 0.00 -0.94 0.00 0.00 39.48 38.25 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 0.42 2.07 0.00 1.37 0.00 -1.26 -2.78 105.19 105.01 1ybj n GLY 11 Ca 0.13 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 5.25 0.29 3.73 -0.02 0.00 -1.26 -3.92 105.19 109.25 1ybj n GLY 12 Ca 0.48 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.08 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 3.45 0.20 1.61 1.51 -1.12 -4.62 117.35 118.38 1ybj s TYR 13 Ca 0.00 1.40 -0.31 0.00 -1.01 0.00 0.00 57.07 57.16 1ybj s TYR 13 Cb 0.00 -3.41 -0.09 0.00 -0.11 0.00 0.00 41.96 38.35 1ybj s TYR 13 CO 0.00 -1.16 1.44 -1.12 -1.11 0.00 0.00 175.55 173.60 1ybj s SER 14 N 0.38 6.70 0.22 2.29 0.01 -1.26 0.14 113.70 122.18 1ybj s SER 14 Ca 0.54 2.56 -0.12 0.00 1.31 0.00 0.00 55.95 60.24 1ybj s SER 14 Cb -0.31 -2.61 0.29 0.00 0.21 0.00 0.00 66.02 63.60 1ybj s SER 14 CO 0.34 -0.70 1.62 0.40 0.41 0.00 0.00 173.24 175.32 1ybj h ILE 15 N 3.80 0.34 -0.15 1.44 1.08 0.81 0.48 117.51 125.31 1ybj h ILE 15 Ca -0.44 -0.01 0.04 0.00 -0.39 0.00 0.00 64.86 64.06 1ybj h ILE 15 Cb 1.21 0.32 -0.01 0.00 -3.07 0.00 0.00 36.82 35.28 1ybj h ILE 15 CO 0.82 0.00 0.11 -0.74 -0.69 0.00 0.00 178.15 177.66 1ybj h HIS 16 N 0.02 0.00 0.54 1.37 2.76 -1.46 -1.56 115.15 116.82 1ybj h HIS 16 Ca 0.33 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.48 1ybj h HIS 16 Cb 0.53 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.49 1ybj h HIS 16 CO -0.51 0.00 -0.26 -0.44 -1.30 0.00 0.00 177.93 175.42 1ybj h ASP 17 N 0.00 -0.61 -0.34 3.26 5.19 -0.31 -1.72 116.42 121.88 1ybj h ASP 17 Ca 0.07 -0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.43 1ybj h ASP 17 Cb 0.29 0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.94 1ybj h ASP 17 CO -0.00 -0.21 0.11 0.22 -3.12 0.00 0.00 179.24 176.24 1ybj h TYR 18 N -1.13 0.54 -0.83 4.55 5.03 -1.27 -0.96 116.97 122.89 1ybj h TYR 18 Ca -0.07 -0.05 0.06 0.00 2.58 0.00 0.00 58.73 61.24 1ybj h TYR 18 Cb 0.60 -0.16 -0.06 0.00 1.55 0.00 0.00 36.73 38.66 1ybj h TYR 18 CO 0.01 0.53 0.51 -0.07 -1.32 0.00 0.00 178.16 177.82 1ybj h LEU 19 N 0.39 0.80 -0.93 2.82 3.38 -1.39 0.29 115.31 120.67 1ybj h LEU 19 Ca 0.11 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1ybj h LEU 19 Cb 0.24 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 1ybj h LEU 19 CO -0.00 0.51 0.58 1.23 0.09 0.00 0.00 178.44 180.85 1ybj h GLY 20 N 0.93 1.34 1.01 0.83 0.00 -0.92 -0.22 103.07 106.04 1ybj h GLY 20 Ca 0.36 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 1ybj h GLY 20 CO -0.17 0.53 0.27 -1.61 0.00 0.00 0.00 176.54 175.55 1ybj h GLN 21 N 1.28 0.96 -0.72 4.80 4.15 0.32 0.53 115.11 126.43 1ybj h GLN 21 Ca 0.34 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.59 1ybj h GLN 21 Cb -0.08 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 27.41 1ybj h GLN 21 CO -0.07 0.80 0.46 2.35 -1.93 0.00 0.00 178.83 180.45 1ybj h TRP 22 N 0.91 0.92 0.00 3.99 7.01 -0.09 -1.53 115.95 127.17 1ybj h TRP 22 Ca 0.22 0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.18 1ybj h TRP 22 Cb 0.19 -0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 26.93 1ybj h TRP 22 CO 0.01 0.60 -0.24 0.00 -2.79 0.00 0.00 178.44 176.02 1ybj h ALA 23 N 1.25 1.13 0.37 2.65 0.00 -0.66 -0.33 119.26 123.67 1ybj h ALA 23 Ca 0.26 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1ybj h ALA 23 Cb -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1ybj h ALA 23 CO -0.05 0.30 -0.18 1.03 0.00 0.00 0.00 179.25 180.35 1ybj h SER 24 N 0.00 -0.42 -0.28 0.00 0.87 0.12 -0.68 113.55 113.16 1ybj h SER 24 Ca -0.00 -0.09 -0.06 0.00 -1.23 0.00 0.00 61.79 60.42 1ybj h SER 24 Cb 0.64 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.69 1ybj h SER 24 CO 0.03 -0.16 -0.00 0.71 -0.53 0.00 0.00 176.83 176.88 1ybj h THR 25 N -0.67 1.21 -0.78 2.23 1.35 -1.29 -2.04 112.91 112.92 1ybj h THR 25 Ca -0.05 -0.85 0.08 0.00 -0.55 0.00 0.00 66.41 65.04 1ybj h THR 25 Cb 0.48 0.93 -0.07 0.00 -1.73 0.00 0.00 68.15 67.76 1ybj h THR 25 CO 0.08 0.29 0.44 0.15 -0.25 0.00 0.00 175.52 176.24 1ybj h PHE 26 N 0.57 0.80 0.00 4.73 3.04 -0.90 -1.57 116.94 123.60 1ybj h PHE 26 Ca 0.12 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.08 1ybj h PHE 26 Cb 0.37 -0.24 -0.00 0.00 2.56 0.00 0.00 35.95 38.63 1ybj h PHE 26 CO 0.01 0.34 -0.07 0.78 -2.02 0.00 0.00 178.31 177.35 1ybj h GLY 27 N 0.76 0.00 -7.14 2.40 0.00 -0.41 -3.39 103.07 95.28 1ybj h GLY 27 Ca 0.37 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 47.16 1ybj h GLY 27 CO -0.23 0.00 1.18 -0.35 0.00 0.00 0.00 176.54 177.14 1ybj s ASP 28 N -5.91 5.91 0.00 0.19 2.15 -0.59 -4.85 116.67 113.57 1ybj s ASP 28 Ca 0.02 0.43 0.12 0.00 0.43 0.00 0.00 52.55 53.54 1ybj s ASP 28 Cb 0.09 -2.54 0.67 0.00 -0.30 0.00 0.00 42.92 40.84 1ybj s ASP 28 CO 0.59 -1.85 1.15 1.33 -0.17 0.00 0.00 175.17 176.21 1ybj n VAL 29 N 7.00 0.12 0.69 1.11 0.24 -1.26 -3.23 118.33 123.00 1ybj n VAL 29 Ca 0.15 0.03 0.13 0.00 -2.04 0.00 0.00 64.34 62.61 1ybj n VAL 29 Cb 0.49 -0.85 0.40 0.00 -1.47 0.00 0.00 33.84 32.42 1ybj n VAL 29 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1ybj n ASN 30 N -1.05 0.66 0.00 -1.34 3.02 -1.26 -4.61 115.26 110.68 1ybj n ASN 30 Ca 0.08 0.48 0.00 0.00 -0.03 0.00 0.00 54.58 55.11 1ybj n ASN 30 Cb 0.05 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.63 1ybj n ASN 30 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1ybj n HIS 31 N -2.10 0.00 -1.70 3.10 -0.00 -1.20 -5.01 115.22 108.32 1ybj n HIS 31 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.77 1ybj n HIS 31 Cb 0.41 0.07 0.00 0.00 -0.00 0.00 0.00 29.99 30.47 1ybj n HIS 31 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 1ybj n THR 32 N 0.00 -5.08 -3.61 3.57 -2.24 -1.26 -5.08 114.28 100.58 1ybj n THR 32 Ca 0.00 2.34 -0.03 0.00 -2.27 0.00 0.00 64.05 64.09 1ybj n THR 32 Cb 0.00 -3.18 -0.06 0.00 -2.10 0.00 0.00 70.33 64.99 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 -3.23 -0.86 0.21 3.42 3.84 -1.26 -5.03 114.94 112.03 1ybj s ASN 33 Ca 0.00 1.28 0.20 0.00 0.21 0.00 0.00 52.86 54.55 1ybj s ASN 33 Cb 0.00 1.68 0.89 0.00 -0.55 0.00 0.00 41.25 43.27 1ybj s ASN 33 CO 0.00 -0.19 1.62 0.61 -2.79 0.00 0.00 177.10 176.35 1ybj n GLY 34 N 4.65 -1.11 0.77 1.21 0.00 -1.26 -2.14 105.19 107.31 1ybj n GLY 34 Ca -0.16 0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.07 3.45 -3.93 1.61 3.02 -1.26 -4.96 115.26 111.12 1ybj n ASN 35 Ca 0.02 -2.58 -0.18 0.00 -0.03 0.00 0.00 54.58 51.80 1ybj n ASN 35 Cb 0.17 -0.41 -0.16 0.00 -0.61 0.00 0.00 39.78 38.78 1ybj n ASN 35 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ybj s VAL 36 N -2.04 0.51 0.00 2.41 0.11 -0.91 -4.56 120.40 115.91 1ybj s VAL 36 Ca 0.34 -0.18 0.00 0.00 -2.93 0.00 0.00 61.98 59.20 1ybj s VAL 36 Cb 0.24 -0.49 0.00 0.00 -1.53 0.00 0.00 36.38 34.61 1ybj s VAL 36 CO 0.11 0.19 0.00 0.35 -3.33 0.00 0.00 175.10 172.42 1ybj n THR 37 N 3.54 0.00 0.09 5.04 -2.24 -1.26 -4.67 114.28 114.78 1ybj n THR 37 Ca -0.20 0.10 -0.04 0.00 -2.27 0.00 0.00 64.05 61.64 1ybj n THR 37 Cb 0.54 -0.95 -0.02 0.00 -2.10 0.00 0.00 70.33 67.80 1ybj n THR 37 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ybj h ASP 38 N 0.00 -0.21 -4.67 3.42 3.32 -1.96 -3.49 116.42 112.84 1ybj h ASP 38 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1ybj h ASP 38 Cb 0.00 0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1ybj h ASP 38 CO 0.00 -0.09 -0.37 0.00 -1.72 0.00 0.00 179.24 177.06 1ybj n ALA 39 N -2.22 -3.02 -1.85 3.45 0.00 0.01 -4.94 120.51 111.94 1ybj n ALA 39 Ca -0.03 0.86 -0.31 0.00 0.00 0.00 0.00 53.44 53.96 1ybj n ALA 39 Cb 0.10 -2.76 -0.01 0.00 0.00 0.00 0.00 19.45 16.78 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 -2.16 6.36 0.03 0.00 0.01 0.69 -4.69 114.94 115.18 1ybj s ASN 40 Ca 0.18 1.49 0.19 0.00 -0.71 0.00 0.00 52.86 54.01 1ybj s ASN 40 Cb -0.05 -2.49 -0.17 0.00 0.41 0.00 0.00 41.25 38.96 1ybj s ASN 40 CO 0.56 -0.78 0.69 -1.20 -1.51 0.00 0.00 177.10 174.87 1ybj n SER 41 N -2.29 0.59 0.00 -1.22 7.64 -1.26 -4.00 113.62 113.08 1ybj n SER 41 Ca 0.06 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1ybj n SER 41 Cb 0.54 0.65 0.00 0.00 -1.01 0.00 0.00 64.21 64.39 1ybj n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ybj n GLY 42 N 1.39 -2.06 2.68 0.23 0.00 -1.26 0.62 105.19 106.79 1ybj n GLY 42 Ca -0.10 -1.17 -0.05 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.13 -0.89 1.28 -0.02 0.00 -1.06 -4.72 105.19 99.65 1ybj n GLY 43 Ca 0.00 0.61 0.14 0.00 0.00 0.00 0.00 46.02 46.77 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 0.41 -3.45 0.00 1.61 3.72 -1.26 -4.97 117.46 113.52 1ybj n PHE 44 Ca -0.03 1.91 0.00 0.00 -0.05 0.00 0.00 57.45 59.27 1ybj n PHE 44 Cb 0.74 -3.13 0.00 0.00 -0.94 0.00 0.00 39.48 36.16 1ybj n PHE 44 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1ybj n TYR 45 N -3.93 0.00 0.16 1.38 9.36 -1.11 -4.80 117.16 118.21 1ybj n TYR 45 Ca -0.08 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.23 1ybj n TYR 45 Cb 0.59 0.00 0.08 0.00 -0.63 0.00 0.00 39.34 39.38 1ybj n TYR 45 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1ybj h GLY 46 N 0.00 0.00 0.00 2.98 0.00 -1.41 -3.47 103.07 101.16 1ybj h GLY 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ybj h GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1ybj n GLY 47 N 1.17 -0.97 0.09 4.60 0.00 -0.82 -4.80 105.19 104.47 1ybj n GLY 47 Ca 0.01 0.06 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 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 0.02 0.00 1.61 0.02 -1.95 -3.40 113.55 109.85 1ybj h SER 48 Ca 0.00 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 1ybj h SER 48 Cb 0.00 -0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.45 1ybj h SER 48 CO 0.00 0.87 -0.18 0.00 -1.14 0.00 0.00 176.83 176.38 1ybj n LEU 49 N -3.53 -0.62 -4.06 5.07 -0.00 -1.26 -4.94 117.00 107.66 1ybj n LEU 49 Ca -0.01 -1.41 -0.13 0.00 -0.00 0.00 0.00 56.01 54.47 1ybj n LEU 49 Cb 0.82 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 44.20 1ybj n LEU 49 CO 0.45 1.20 0.16 -0.94 -0.00 0.00 0.00 177.39 178.26 1ybj s SER 50 N -0.62 0.61 0.00 1.45 1.04 -1.26 -2.98 113.70 111.93 1ybj s SER 50 Ca 0.00 -1.34 0.00 0.00 0.48 0.00 0.00 55.95 55.09 1ybj s SER 50 Cb 0.00 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1ybj s SER 50 CO 0.00 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.56 1ybj n GLY 51 N -0.51 2.14 0.20 7.32 0.00 -1.15 -1.44 105.19 111.74 1ybj n GLY 51 Ca -0.00 -1.66 0.14 0.00 0.00 0.00 0.00 46.02 44.50 1ybj n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ybj n SER 52 N 0.00 0.71 -3.82 1.61 2.88 -1.26 -2.79 113.62 110.95 1ybj n SER 52 Ca 0.00 -0.87 -0.12 0.00 -1.33 0.00 0.00 58.87 56.55 1ybj n SER 52 Cb 0.00 -0.02 -0.09 0.00 -0.75 0.00 0.00 64.21 63.35 1ybj n SER 52 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1ybj s GLN 53 N -2.32 0.61 -0.32 -1.46 0.74 -1.26 -0.14 119.66 115.51 1ybj s GLN 53 Ca 0.33 -0.36 0.04 0.00 0.05 0.00 0.00 55.36 55.42 1ybj s GLN 53 Cb 0.20 0.26 0.17 0.00 1.10 0.00 0.00 33.01 34.74 1ybj s GLN 53 CO 0.44 -0.16 0.47 -0.47 -0.55 0.00 0.00 175.29 175.02 1ybj s TYR 54 N -1.60 -1.19 0.32 1.67 5.04 -0.35 -2.77 117.35 118.47 1ybj s TYR 54 Ca -0.12 0.30 -0.05 0.00 -2.44 0.00 0.00 57.07 54.76 1ybj s TYR 54 Cb -0.05 -0.03 -0.05 0.00 0.35 0.00 0.00 41.96 42.18 1ybj s TYR 54 CO 0.02 -1.03 0.59 0.00 -1.34 0.00 0.00 175.55 173.78 1ybj s ALA 55 N 2.34 3.60 -0.06 3.97 0.00 -1.26 -1.26 121.76 129.09 1ybj s ALA 55 Ca 0.12 -0.57 -0.16 0.00 0.00 0.00 0.00 51.96 51.35 1ybj s ALA 55 Cb -0.11 -2.33 0.03 0.00 0.00 0.00 0.00 23.12 20.71 1ybj s ALA 55 CO -0.22 0.15 0.36 0.42 0.00 0.00 0.00 175.76 176.47 1ybj s ILE 56 N -2.18 0.03 0.40 0.00 -1.09 0.12 -2.58 121.20 115.91 1ybj s ILE 56 Ca 0.44 -0.29 0.06 0.00 -2.23 0.00 0.00 60.65 58.63 1ybj s ILE 56 Cb -0.10 -0.62 -0.07 0.00 -1.58 0.00 0.00 42.46 40.09 1ybj s ILE 56 CO 0.32 -0.16 0.03 -0.55 -1.23 0.00 0.00 174.94 173.35 1ybj s SER 57 N -0.83 3.48 0.38 3.58 0.15 0.20 0.57 113.70 121.24 1ybj s SER 57 Ca -0.09 -1.41 -0.26 0.00 0.70 0.00 0.00 55.95 54.89 1ybj s SER 57 Cb -0.04 -0.21 -0.11 0.00 -1.71 0.00 0.00 66.02 63.95 1ybj s SER 57 CO 0.04 -0.54 1.24 -0.24 1.20 0.00 0.00 173.24 174.93 1ybj n SER 58 N -0.93 2.43 0.15 5.45 2.88 0.58 -4.88 113.62 119.30 1ybj n SER 58 Ca -0.06 1.15 0.11 0.00 -1.33 0.00 0.00 58.87 58.74 1ybj n SER 58 Cb 0.67 -1.47 0.06 0.00 -0.75 0.00 0.00 64.21 62.72 1ybj n SER 58 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1ybj h THR 59 N 2.21 0.04 0.00 2.46 1.35 -1.85 -2.07 112.91 115.05 1ybj h THR 59 Ca -0.46 -1.07 -0.02 0.00 -0.55 0.00 0.00 66.41 64.31 1ybj h THR 59 Cb 1.30 1.74 -0.00 0.00 -1.73 0.00 0.00 68.15 69.45 1ybj h THR 59 CO 0.61 0.02 -0.11 0.00 -0.25 0.00 0.00 175.52 175.79 1ybj h ALA 60 N 1.96 0.02 -0.00 6.62 0.00 -1.91 -3.41 119.26 122.55 1ybj h ALA 60 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1ybj h ALA 60 Cb 1.03 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1ybj h ALA 60 CO 0.00 0.07 -0.00 0.27 0.00 0.00 0.00 179.25 179.59 1ybj n ASN 61 N -4.66 0.92 -4.06 0.00 0.23 -1.26 -4.64 115.26 101.79 1ybj n ASN 61 Ca -0.08 -0.96 -0.33 0.00 -0.53 0.00 0.00 54.58 52.68 1ybj n ASN 61 Cb 0.31 0.11 -0.05 0.00 -2.08 0.00 0.00 39.78 38.07 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 -0.09 -1.75 0.05 -3.83 1.13 -0.78 -4.68 117.38 107.42 1ybj n GLN 62 Ca 0.00 0.19 0.00 0.00 -1.94 0.00 0.00 57.00 55.25 1ybj n GLN 62 Cb 0.01 -4.80 0.00 0.00 0.11 0.00 0.00 30.24 25.56 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 -3.86 0.76 -1.57 5.09 3.14 -1.26 -4.72 118.33 115.91 1ybj n VAL 63 Ca 0.08 0.25 -0.42 0.00 -2.96 0.00 0.00 64.34 61.30 1ybj n VAL 63 Cb 0.47 -1.42 -0.04 0.00 -1.06 0.00 0.00 33.84 31.80 1ybj n VAL 63 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 1ybj n THR 64 N -3.34 0.19 -4.49 1.55 -1.04 -1.26 0.11 114.28 106.01 1ybj n THR 64 Ca 0.00 -0.54 -0.31 0.00 -2.04 0.00 0.00 64.05 61.15 1ybj n THR 64 Cb 0.12 -2.53 -0.05 0.00 -1.82 0.00 0.00 70.33 66.05 1ybj n THR 64 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ybj s ALA 65 N 9.47 4.28 -0.24 2.41 0.00 0.60 -0.31 121.76 137.98 1ybj s ALA 65 Ca 1.01 -0.53 -0.17 0.00 0.00 0.00 0.00 51.96 52.28 1ybj s ALA 65 Cb -0.34 -0.22 0.07 0.00 0.00 0.00 0.00 23.12 22.62 1ybj s ALA 65 CO 0.34 -0.16 0.61 -0.59 0.00 0.00 0.00 175.76 175.96 1ybj s PHE 66 N -2.86 -0.85 -0.26 0.00 -0.12 0.19 -2.28 117.98 111.81 1ybj s PHE 66 Ca 0.13 1.81 -0.02 0.00 -0.05 0.00 0.00 56.93 58.80 1ybj s PHE 66 Cb -0.00 0.43 0.03 0.00 -0.63 0.00 0.00 43.02 42.85 1ybj s PHE 66 CO 0.08 -0.42 -0.05 0.08 -0.05 0.00 0.00 175.22 174.86 1ybj s VAL 67 N 1.14 2.91 0.25 -2.49 1.01 0.11 0.14 120.40 123.47 1ybj s VAL 67 Ca -0.06 -1.09 -0.12 0.00 0.00 0.00 0.00 61.98 60.71 1ybj s VAL 67 Cb -0.05 -2.51 -0.08 0.00 0.00 0.00 0.00 36.38 33.73 1ybj s VAL 67 CO -0.11 0.14 0.60 0.00 0.00 0.00 0.00 175.10 175.73 1ybj s ALA 68 N 1.31 3.50 -0.16 5.51 0.00 -0.39 -0.55 121.76 130.98 1ybj s ALA 68 Ca -0.01 -0.17 -0.07 0.00 0.00 0.00 0.00 51.96 51.71 1ybj s ALA 68 Cb -0.17 -2.54 0.07 0.00 0.00 0.00 0.00 23.12 20.48 1ybj s ALA 68 CO -0.04 0.45 0.35 0.20 0.00 0.00 0.00 175.76 176.73 1ybj s GLY 69 N -2.28 -0.25 0.00 0.00 0.00 0.15 -1.21 107.32 103.73 1ybj s GLY 69 Ca 0.48 1.29 0.00 0.00 0.00 0.00 0.00 44.72 46.49 1ybj s GLY 69 CO 0.20 1.87 0.00 0.61 0.00 0.00 0.00 173.10 175.78 1ybj n GLY 70 N 4.82 -0.58 2.69 0.20 0.00 0.80 -0.84 105.19 112.28 1ybj n GLY 70 Ca -0.16 0.63 -0.07 0.00 0.00 0.00 0.00 46.02 46.42 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 0.07 -4.76 1.61 4.05 0.20 -4.52 115.26 111.91 1ybj n ASN 71 Ca 0.00 -2.54 -0.39 0.00 0.45 0.00 0.00 54.58 52.11 1ybj n ASN 71 Cb 0.00 0.10 0.02 0.00 1.23 0.00 0.00 39.78 41.13 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 -3.26 4.00 -0.14 1.20 1.43 -1.12 -1.46 118.68 119.34 1ybj s LEU 72 Ca 0.24 2.72 -0.12 0.00 -1.03 0.00 0.00 54.13 55.94 1ybj s LEU 72 Cb 0.43 -4.12 0.04 0.00 0.03 0.00 0.00 46.19 42.56 1ybj s LEU 72 CO -0.02 -1.26 0.36 -0.89 0.23 0.00 0.00 176.35 174.77 1ybj s THR 73 N -1.31 -0.00 -0.09 5.49 2.01 -0.42 -2.94 115.64 118.39 1ybj s THR 73 Ca 0.65 0.02 -0.16 0.00 0.31 0.00 0.00 61.69 62.51 1ybj s THR 73 Cb -0.39 -0.51 -0.05 0.00 0.01 0.00 0.00 72.50 71.57 1ybj s THR 73 CO 0.48 0.01 0.40 -0.47 -0.69 0.00 0.00 174.62 174.35 1ybj s TYR 74 N 0.35 3.58 0.18 4.92 5.04 -1.16 -0.79 117.35 129.47 1ybj s TYR 74 Ca -0.01 0.85 -0.12 0.00 -2.44 0.00 0.00 57.07 55.34 1ybj s TYR 74 Cb -0.03 -2.39 0.08 0.00 0.35 0.00 0.00 41.96 39.97 1ybj s TYR 74 CO -0.01 0.37 1.76 1.79 -1.34 0.00 0.00 175.55 178.11 1ybj h THR 75 N 4.33 1.22 0.00 4.34 1.35 -0.81 -3.46 112.91 119.88 1ybj h THR 75 Ca -0.45 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 1ybj h THR 75 Cb 1.19 0.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 1ybj h THR 75 CO 0.70 0.25 0.00 -0.11 -0.25 0.00 0.00 175.52 176.11 1ybj n LEU 76 N -4.50 0.00 -0.74 3.87 7.94 -1.26 0.04 117.00 122.35 1ybj n LEU 76 Ca 0.04 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.06 1ybj n LEU 76 Cb 0.13 0.00 0.12 0.00 0.53 0.00 0.00 43.42 44.20 1ybj n LEU 76 CO 0.38 0.00 0.55 0.49 -1.11 0.00 0.00 177.39 177.70 1ybj n PHE 77 N 0.00 0.00 -1.58 1.96 3.01 -1.26 -3.61 117.46 115.98 1ybj n PHE 77 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.17 1ybj n PHE 77 Cb 0.00 -0.01 0.11 0.00 -0.01 0.00 0.00 39.48 39.57 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 -2.17 4.15 0.12 4.37 0.01 0.11 -4.89 114.94 116.64 1ybj s ASN 78 Ca 0.26 1.14 -0.33 0.00 -0.71 0.00 0.00 52.86 53.21 1ybj s ASN 78 Cb 0.19 -1.80 -0.12 0.00 0.41 0.00 0.00 41.25 39.93 1ybj s ASN 78 CO 0.40 -2.17 1.55 -0.33 -1.51 0.00 0.00 177.10 175.04 1ybj h GLU 79 N -1.23 -0.46 -1.01 -0.60 4.39 -1.93 0.38 114.58 114.13 1ybj h GLU 79 Ca -0.48 0.03 0.23 0.00 0.34 0.00 0.00 59.36 59.48 1ybj h GLU 79 Cb 1.30 0.10 -0.10 0.00 -0.10 0.00 0.00 28.75 29.95 1ybj h GLU 79 CO 0.61 -0.31 0.63 -1.35 -1.16 0.00 0.00 179.01 177.43 1ybj h PRO 80 N -0.47 0.54 -3.74 2.33 0.11 -1.91 -3.48 132.00 125.36 1ybj h PRO 80 Ca 0.05 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1ybj h PRO 80 Cb 0.63 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.62 1ybj h PRO 80 CO -0.53 0.35 -0.75 0.00 -0.21 0.00 0.00 178.00 176.87 1ybj n ALA 81 N -2.39 -2.25 -3.39 -0.75 0.00 0.12 -4.76 120.51 107.09 1ybj n ALA 81 Ca 0.25 0.37 -0.20 0.00 0.00 0.00 0.00 53.44 53.86 1ybj n ALA 81 Cb 0.74 -1.21 0.06 0.00 0.00 0.00 0.00 19.45 19.04 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 1.46 -2.30 -3.77 0.00 8.25 -1.24 -4.93 115.22 112.70 1ybj n HIS 82 Ca 0.00 0.73 -0.12 0.00 -0.26 0.00 0.00 57.72 58.07 1ybj n HIS 82 Cb 0.00 -3.90 -0.08 0.00 1.12 0.00 0.00 29.99 27.13 1ybj n HIS 82 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1ybj s THR 83 N -3.41 0.08 0.03 1.59 2.01 -1.26 -4.98 115.64 109.70 1ybj s THR 83 Ca 0.46 -0.65 -0.01 0.00 0.31 0.00 0.00 61.69 61.80 1ybj s THR 83 Cb -0.09 -0.83 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 1ybj s THR 83 CO 0.78 -0.36 0.17 -0.22 -0.69 0.00 0.00 174.62 174.30 1ybj s LEU 84 N -1.84 4.25 0.00 4.42 2.96 -1.26 -0.03 118.68 127.17 1ybj s LEU 84 Ca -0.08 0.25 0.00 0.00 -0.22 0.00 0.00 54.13 54.09 1ybj s LEU 84 Cb -0.02 -2.70 0.00 0.00 0.50 0.00 0.00 46.19 43.97 1ybj s LEU 84 CO -0.01 0.22 0.00 0.00 -1.32 0.00 0.00 176.35 175.24 1ybj n TYR 85 N 0.65 0.00 -0.73 5.38 4.11 0.03 -4.30 117.16 122.30 1ybj n TYR 85 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.82 1ybj n TYR 85 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.86 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 -1.78 3.97 -7.48 0.00 -1.21 -1.30 105.19 97.40 1ybj n GLY 86 Ca 0.00 -1.93 -0.21 0.00 0.00 0.00 0.00 46.02 43.88 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 3.02 -0.18 1.61 -0.44 -0.53 -0.84 119.66 122.29 1ybj s GLN 87 Ca 0.00 -0.74 -0.14 0.00 -2.50 0.00 0.00 55.36 51.98 1ybj s GLN 87 Cb 0.00 -2.65 0.05 0.00 -1.64 0.00 0.00 33.01 28.77 1ybj s GLN 87 CO 0.00 -0.20 0.46 -1.17 0.50 0.00 0.00 175.29 174.88 1ybj s LEU 88 N -4.43 0.08 0.12 3.68 2.96 -0.22 -0.63 118.68 120.24 1ybj s LEU 88 Ca 0.48 0.95 0.00 0.00 -0.22 0.00 0.00 54.13 55.34 1ybj s LEU 88 Cb -0.10 1.56 0.00 0.00 0.50 0.00 0.00 46.19 48.15 1ybj s LEU 88 CO 0.35 -0.17 0.00 -0.67 -1.32 0.00 0.00 176.35 174.54 1ybj n ASP 89 N 3.30 0.00 -4.62 3.68 2.03 -0.04 -0.45 116.55 120.46 1ybj n ASP 89 Ca -0.16 0.20 -0.26 0.00 0.52 0.00 0.00 54.79 55.09 1ybj n ASP 89 Cb 0.56 0.14 -0.08 0.00 -0.72 0.00 0.00 41.12 41.02 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 -5.07 4.53 0.09 1.67 1.04 -0.02 -1.95 113.70 114.00 1ybj s SER 90 Ca 0.00 -0.50 -0.00 0.00 0.48 0.00 0.00 55.95 55.92 1ybj s SER 90 Cb 0.00 -0.87 -0.04 0.00 0.10 0.00 0.00 66.02 65.20 1ybj s SER 90 CO 0.00 0.08 -0.02 -0.76 0.98 0.00 0.00 173.24 173.52 1ybj s LEU 91 N -3.01 2.31 -0.23 2.42 2.01 0.70 -0.68 118.68 122.20 1ybj s LEU 91 Ca 0.27 -1.06 -0.04 0.00 0.01 0.00 0.00 54.13 53.31 1ybj s LEU 91 Cb -0.09 0.14 0.12 0.00 0.01 0.00 0.00 46.19 46.37 1ybj s LEU 91 CO 0.17 -0.59 0.39 -0.44 1.01 0.00 0.00 176.35 176.89 1ybj s SER 92 N -3.00 0.08 -0.12 2.29 0.01 0.28 0.07 113.70 113.32 1ybj s SER 92 Ca 0.13 0.43 -0.08 0.00 1.31 0.00 0.00 55.95 57.75 1ybj s SER 92 Cb 0.07 1.19 -0.04 0.00 0.21 0.00 0.00 66.02 67.45 1ybj s SER 92 CO -0.05 -0.28 0.15 -0.36 0.41 0.00 0.00 173.24 173.11 1ybj s PHE 93 N 2.57 3.59 -0.22 2.43 0.08 0.60 0.06 117.98 127.09 1ybj s PHE 93 Ca 0.09 0.53 -0.37 0.00 0.12 0.00 0.00 56.93 57.31 1ybj s PHE 93 Cb -0.15 -1.97 0.16 0.00 -0.57 0.00 0.00 43.02 40.49 1ybj s PHE 93 CO -0.15 0.70 1.41 0.20 -0.10 0.00 0.00 175.22 177.28 1ybj s GLY 94 N -0.91 -0.31 0.00 4.36 0.00 -0.96 -3.02 107.32 106.47 1ybj s GLY 94 Ca 0.15 1.56 -0.24 0.00 0.00 0.00 0.00 44.72 46.18 1ybj s GLY 94 CO 0.04 0.46 0.74 0.99 0.00 0.00 0.00 173.10 175.33 1ybj s ASP 95 N -2.39 7.13 0.04 1.64 1.11 -1.24 -0.29 116.67 122.67 1ybj s ASP 95 Ca 0.13 1.35 0.00 0.00 0.18 0.00 0.00 52.55 54.21 1ybj s ASP 95 Cb 0.02 -2.45 0.00 0.00 1.07 0.00 0.00 42.92 41.57 1ybj s ASP 95 CO -0.04 -0.04 0.00 0.61 1.18 0.00 0.00 175.17 176.88 1ybj n GLY 96 N 2.67 -4.66 3.89 0.21 0.00 0.12 -2.28 105.19 105.13 1ybj n GLY 96 Ca -0.02 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.35 3.79 0.00 0.99 1.43 -1.26 -0.09 118.68 123.19 1ybj s LEU 97 Ca 0.00 1.03 -0.03 0.00 -1.03 0.00 0.00 54.13 54.10 1ybj s LEU 97 Cb 0.00 -3.93 0.01 0.00 0.03 0.00 0.00 46.19 42.30 1ybj s LEU 97 CO 0.00 -0.44 0.43 -0.24 0.23 0.00 0.00 176.35 176.33 1ybj n SER 98 N -1.56 -1.20 0.00 2.29 2.88 0.11 -0.22 113.62 115.92 1ybj n SER 98 Ca 0.01 -2.44 0.00 0.00 -1.33 0.00 0.00 58.87 55.12 1ybj n SER 98 Cb 0.54 2.18 0.00 0.00 -0.75 0.00 0.00 64.21 66.18 1ybj n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ybj n GLY 99 N -0.45 0.95 2.97 0.46 0.00 -1.26 -0.86 105.19 107.00 1ybj n GLY 99 Ca -0.01 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 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 0.00 -0.53 0.00 -0.02 0.00 -1.06 -4.99 105.19 98.60 1ybj n GLY 100 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.84 0.00 -0.05 1.61 9.92 -1.25 -4.55 116.55 119.38 1ybj n ASP 101 Ca -0.14 0.39 -0.05 0.00 -0.53 0.00 0.00 54.79 54.46 1ybj n ASP 101 Cb 0.62 -0.41 -0.15 0.00 -0.64 0.00 0.00 41.12 40.54 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 -1.75 1.14 0.00 -3.53 -2.24 -1.26 -4.99 114.28 101.66 1ybj n THR 102 Ca 0.00 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 1ybj n THR 102 Cb 0.00 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.74 1ybj n THR 102 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ybj n SER 103 N -2.72 0.00 -4.60 3.42 7.64 -1.26 -5.15 113.62 110.95 1ybj n SER 103 Ca -0.22 0.00 -0.50 0.00 1.01 0.00 0.00 58.87 59.16 1ybj n SER 103 Cb 0.99 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 64.14 1ybj n SER 103 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1ybj n PRO 104 N 0.00 1.33 -1.64 1.43 -0.04 -1.26 -4.49 135.00 130.33 1ybj n PRO 104 Ca 0.00 0.48 -0.29 0.00 -0.04 0.00 0.00 63.50 63.65 1ybj n PRO 104 Cb 0.00 -2.09 0.12 0.00 -0.04 0.00 0.00 33.50 31.49 1ybj n PRO 104 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1ybj s TYR 105 N 0.27 2.68 -0.12 0.54 2.02 -1.26 -2.55 117.35 118.93 1ybj s TYR 105 Ca 0.79 0.86 -0.15 0.00 -0.37 0.00 0.00 57.07 58.19 1ybj s TYR 105 Cb -0.87 -3.39 0.04 0.00 -0.40 0.00 0.00 41.96 37.34 1ybj s TYR 105 CO 0.48 -2.13 0.40 -1.54 -1.57 0.00 0.00 175.55 171.19 1ybj s SER 106 N -4.17 -0.39 -0.23 2.29 1.04 -0.04 -4.88 113.70 107.32 1ybj s SER 106 Ca 0.63 0.67 -0.25 0.00 0.48 0.00 0.00 55.95 57.47 1ybj s SER 106 Cb -0.14 0.71 -0.00 0.00 0.10 0.00 0.00 66.02 66.69 1ybj s SER 106 CO 0.52 -0.23 0.85 -0.63 0.98 0.00 0.00 173.24 174.73 1ybj s ILE 107 N -0.18 4.82 0.17 -1.02 1.09 -1.26 0.09 121.20 124.90 1ybj s ILE 107 Ca -0.03 1.63 -0.11 0.00 -1.10 0.00 0.00 60.65 61.04 1ybj s ILE 107 Cb -0.03 -4.14 0.05 0.00 -1.06 0.00 0.00 42.46 37.28 1ybj s ILE 107 CO 0.02 -0.07 1.65 1.56 -0.10 0.00 0.00 174.94 177.99 1ybj h GLN 108 N 7.61 0.96 -3.64 2.79 4.20 -0.60 -3.31 115.11 123.12 1ybj h GLN 108 Ca -0.23 -0.27 -0.73 0.00 0.06 0.00 0.00 58.65 57.48 1ybj h GLN 108 Cb 1.09 -0.11 -0.32 0.00 0.30 0.00 0.00 27.48 28.44 1ybj h GLN 108 CO 0.88 0.93 -0.21 0.08 -0.67 0.00 0.00 178.83 179.84 1ybj s VAL 109 N -5.15 4.34 -0.75 -0.54 1.01 -0.96 -5.00 120.40 113.35 1ybj s VAL 109 Ca -0.12 -2.85 -0.26 0.00 0.00 0.00 0.00 61.98 58.75 1ybj s VAL 109 Cb 0.13 -3.76 -0.10 0.00 0.00 0.00 0.00 36.38 32.64 1ybj s VAL 109 CO 0.83 -0.93 2.29 -2.16 0.00 0.00 0.00 175.10 175.13 1ybj s PRO 110 N -0.05 1.92 0.00 2.72 0.04 -1.25 -3.64 135.00 134.74 1ybj s PRO 110 Ca 0.18 0.51 0.00 0.00 0.04 0.00 0.00 61.00 61.73 1ybj s PRO 110 Cb -0.17 -4.78 0.00 0.00 0.04 0.00 0.00 34.50 29.59 1ybj s PRO 110 CO -0.05 -3.96 0.00 -0.25 0.04 0.00 0.00 177.00 172.78 1ybj n ASP 111 N 17.00 0.00 -4.76 6.66 8.00 -1.17 -4.67 116.55 137.62 1ybj n ASP 111 Ca 0.42 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.53 1ybj n ASP 111 Cb 0.46 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.58 1ybj n ASP 111 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ybj s VAL 112 N 2.55 2.31 0.36 2.53 1.01 -1.23 -4.03 120.40 123.90 1ybj s VAL 112 Ca 0.00 0.26 0.06 0.00 0.00 0.00 0.00 61.98 62.30 1ybj s VAL 112 Cb 0.00 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 1ybj s VAL 112 CO 0.00 0.02 0.23 -0.44 0.00 0.00 0.00 175.10 174.91 1ybj s SER 113 N -0.84 2.11 0.02 3.32 0.01 -0.36 -0.29 113.70 117.67 1ybj s SER 113 Ca 0.65 -1.75 0.01 0.00 1.31 0.00 0.00 55.95 56.16 1ybj s SER 113 Cb -0.39 0.57 -0.02 0.00 0.21 0.00 0.00 66.02 66.39 1ybj s SER 113 CO 0.49 -1.04 -0.04 -0.36 0.41 0.00 0.00 173.24 172.70 1ybj s PHE 114 N -3.35 0.35 -0.18 2.43 0.40 0.11 -0.09 117.98 117.65 1ybj s PHE 114 Ca 0.34 -0.46 -0.28 0.00 -0.60 0.00 0.00 56.93 55.94 1ybj s PHE 114 Cb 0.02 -0.23 0.09 0.00 0.51 0.00 0.00 43.02 43.41 1ybj s PHE 114 CO 0.23 -0.14 0.84 0.20 0.70 0.00 0.00 175.22 177.05 1ybj s GLY 115 N -1.31 -0.41 0.00 4.36 0.00 -1.13 -0.21 107.32 108.62 1ybj s GLY 115 Ca -0.12 1.96 0.00 0.00 0.00 0.00 0.00 44.72 46.56 1ybj s GLY 115 CO -0.01 1.37 0.00 0.61 0.00 0.00 0.00 173.10 175.08 1ybj n GLY 116 N 1.62 0.95 0.16 0.20 0.00 -0.91 -0.64 105.19 106.57 1ybj n GLY 116 Ca -0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.35 -2.02 0.99 3.38 -1.65 -3.31 115.31 112.35 1ybj h LEU 117 Ca 0.00 0.06 -0.48 0.00 0.09 0.00 0.00 57.88 57.54 1ybj h LEU 117 Cb 0.00 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1ybj h LEU 117 CO 0.00 -0.17 -0.88 -3.20 0.09 0.00 0.00 178.44 174.28 1ybj n ASN 118 N -5.25 -0.91 -4.30 -0.43 5.15 -1.03 -4.96 115.26 103.54 1ybj n ASN 118 Ca -0.05 -0.98 -0.40 0.00 -0.60 0.00 0.00 54.58 52.55 1ybj n ASN 118 Cb 0.17 -3.24 -0.11 0.00 -0.53 0.00 0.00 39.78 36.08 1ybj n ASN 118 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1ybj s LEU 119 N -6.88 4.82 -0.16 1.20 1.43 0.41 -4.96 118.68 114.54 1ybj s LEU 119 Ca 0.05 -1.27 -0.06 0.00 -1.03 0.00 0.00 54.13 51.82 1ybj s LEU 119 Cb -0.02 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 1ybj s LEU 119 CO 0.87 -0.44 0.02 -0.94 0.23 0.00 0.00 176.35 176.10 1ybj s SER 120 N 1.77 5.31 -0.07 2.29 1.04 -1.26 -1.05 113.70 121.73 1ybj s SER 120 Ca 0.02 0.02 -0.03 0.00 0.48 0.00 0.00 55.95 56.44 1ybj s SER 120 Cb -0.21 -1.86 -0.04 0.00 0.10 0.00 0.00 66.02 64.02 1ybj s SER 120 CO 0.04 0.20 0.08 -0.55 0.98 0.00 0.00 173.24 173.98 1ybj s SER 121 N 0.22 5.77 0.91 7.02 0.15 -0.02 -4.95 113.70 122.80 1ybj s SER 121 Ca 0.02 0.25 -0.12 0.00 0.70 0.00 0.00 55.95 56.80 1ybj s SER 121 Cb -0.13 -1.73 0.14 0.00 -1.71 0.00 0.00 66.02 62.60 1ybj s SER 121 CO 0.01 0.35 1.13 -0.76 1.20 0.00 0.00 173.24 175.17 1ybj s LEU 122 N -1.24 2.00 0.08 3.45 1.43 -1.26 -3.36 118.68 119.78 1ybj s LEU 122 Ca 0.17 1.03 -0.33 0.00 -1.03 0.00 0.00 54.13 53.98 1ybj s LEU 122 Cb -0.12 -3.36 -0.18 0.00 0.03 0.00 0.00 46.19 42.57 1ybj s LEU 122 CO 0.07 -2.59 1.62 -0.61 0.23 0.00 0.00 176.35 175.08 1ybj h GLN 123 N -1.52 -0.84 0.00 1.70 5.75 -1.99 -2.90 115.11 115.31 1ybj h GLN 123 Ca -0.51 0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 1ybj h GLN 123 Cb 1.33 0.19 0.00 0.00 1.07 0.00 0.00 27.48 30.07 1ybj h GLN 123 CO 0.61 -0.56 0.00 0.00 -2.65 0.00 0.00 178.83 176.23 1ybj n ALA 124 N -2.53 2.33 -0.93 3.38 0.00 -1.26 -4.13 120.51 117.37 1ybj n ALA 124 Ca -0.13 -0.03 -0.17 0.00 0.00 0.00 0.00 53.44 53.12 1ybj n ALA 124 Cb 0.37 -1.07 -0.11 0.00 0.00 0.00 0.00 19.45 18.64 1ybj n ALA 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ybj n GLN 125 N -0.58 2.12 -1.74 0.00 1.13 -1.10 -4.91 117.38 112.30 1ybj n GLN 125 Ca 0.03 -1.17 -0.43 0.00 -1.94 0.00 0.00 57.00 53.50 1ybj n GLN 125 Cb 0.01 -2.14 -0.03 0.00 0.11 0.00 0.00 30.24 28.19 1ybj n GLN 125 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1ybj s GLY 126 N 2.27 0.54 0.00 1.08 0.00 -1.26 -1.44 107.32 108.52 1ybj s GLY 126 Ca 0.58 0.53 0.00 0.00 0.00 0.00 0.00 44.72 45.83 1ybj s GLY 126 CO -0.01 3.64 0.00 1.57 0.00 0.00 0.00 173.10 178.29 1ybj n HIS 127 N 11.50 0.00 0.92 1.90 -0.00 -1.26 -4.45 115.22 123.82 1ybj n HIS 127 Ca 0.28 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 58.13 1ybj n HIS 127 Cb 0.46 0.00 0.51 0.00 -0.00 0.00 0.00 29.99 30.96 1ybj n HIS 127 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1ybj n ASP 128 N 1.35 0.24 -4.69 0.26 2.03 -1.23 -3.90 116.55 110.61 1ybj n ASP 128 Ca 0.00 0.38 -0.42 0.00 0.52 0.00 0.00 54.79 55.27 1ybj n ASP 128 Cb 0.00 -0.41 -0.03 0.00 -0.72 0.00 0.00 41.12 39.96 1ybj n ASP 128 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1ybj s GLY 129 N -3.13 1.54 0.54 0.27 0.00 -0.52 -4.88 107.32 101.14 1ybj s GLY 129 Ca 0.13 1.25 0.25 0.00 0.00 0.00 0.00 44.72 46.34 1ybj s GLY 129 CO 0.58 2.87 2.02 -0.24 0.00 0.00 0.00 173.10 178.33 1ybj h VAL 130 N 4.69 0.72 -0.34 1.40 3.04 -1.89 0.70 116.25 124.58 1ybj h VAL 130 Ca -0.43 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.21 1ybj h VAL 130 Cb 1.20 0.77 -0.01 0.00 -2.01 0.00 0.00 31.29 31.24 1ybj h VAL 130 CO 0.93 0.00 0.02 -0.37 -1.01 0.00 0.00 177.57 177.14 1ybj h VAL 131 N 0.00 1.25 -0.54 1.51 -1.51 -1.89 0.28 116.25 115.35 1ybj h VAL 131 Ca 0.21 -0.92 -0.03 0.00 -1.23 0.00 0.00 66.70 64.72 1ybj h VAL 131 Cb 0.87 1.19 -0.03 0.00 -2.13 0.00 0.00 31.29 31.20 1ybj h VAL 131 CO -0.00 0.30 0.21 -0.74 -1.23 0.00 0.00 177.57 176.11 1ybj h HIS 132 N 0.40 0.79 0.53 5.19 6.17 -1.13 -2.23 115.15 124.87 1ybj h HIS 132 Ca 0.10 -0.04 -0.03 0.00 0.71 0.00 0.00 60.37 61.11 1ybj h HIS 132 Cb 0.42 -0.24 0.01 0.00 2.52 0.00 0.00 27.41 30.11 1ybj h HIS 132 CO 0.03 0.62 -0.26 1.96 0.71 0.00 0.00 177.93 180.99 1ybj h GLN 133 N 0.78 -0.69 -0.96 5.26 4.20 -0.84 -2.64 115.11 120.21 1ybj h GLN 133 Ca 0.19 0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.98 1ybj h GLN 133 Cb 0.16 0.16 -0.06 0.00 0.30 0.00 0.00 27.48 28.04 1ybj h GLN 133 CO -0.02 -0.46 0.63 -0.39 -0.67 0.00 0.00 178.83 177.93 1ybj h VAL 134 N -0.82 1.16 -0.28 -0.54 -1.51 -0.95 0.31 116.25 113.62 1ybj h VAL 134 Ca -0.07 -0.41 -0.07 0.00 -1.23 0.00 0.00 66.70 64.91 1ybj h VAL 134 Cb 0.55 -0.15 -0.01 0.00 -2.13 0.00 0.00 31.29 29.55 1ybj h VAL 134 CO 0.12 0.22 -0.11 1.62 -1.23 0.00 0.00 177.57 178.19 1ybj h VAL 135 N 1.20 1.29 -0.02 7.19 3.04 -1.48 0.22 116.25 127.69 1ybj h VAL 135 Ca 0.39 -1.18 -0.15 0.00 -1.01 0.00 0.00 66.70 64.75 1ybj h VAL 135 Cb 0.02 1.47 -0.02 0.00 -2.01 0.00 0.00 31.29 30.76 1ybj h VAL 135 CO -0.12 0.37 -0.66 1.88 -1.01 0.00 0.00 177.57 178.03 1ybj h TYR 136 N 0.32 0.15 0.30 3.17 -1.99 -1.09 0.19 116.97 118.02 1ybj h TYR 136 Ca 0.07 -0.06 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 1ybj h TYR 136 Cb 0.61 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.32 1ybj h TYR 136 CO 0.06 0.74 -0.15 0.78 -0.00 0.00 0.00 178.16 179.59 1ybj h GLY 137 N 1.77 -0.42 0.05 3.88 0.00 -0.21 -1.06 103.07 107.07 1ybj h GLY 137 Ca -0.01 0.16 0.09 0.00 0.00 0.00 0.00 47.33 47.56 1ybj h GLY 137 CO 0.09 -0.15 -0.16 1.41 0.00 0.00 0.00 176.54 177.73 1ybj h LEU 138 N -0.48 -0.55 -2.16 3.11 -0.00 -0.37 0.71 115.31 115.56 1ybj h LEU 138 Ca -0.04 0.15 0.05 0.00 -0.00 0.00 0.00 57.88 58.03 1ybj h LEU 138 Cb 0.36 0.32 -0.01 0.00 -0.00 0.00 0.00 40.66 41.34 1ybj h LEU 138 CO 0.07 -0.19 0.15 0.24 -0.00 0.00 0.00 178.44 178.71 1ybj h MET 139 N -0.07 0.00 0.00 1.13 2.86 -0.83 -0.83 114.93 117.20 1ybj h MET 139 Ca 0.21 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1ybj h MET 139 Cb 0.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1ybj h MET 139 CO -0.48 0.00 -0.95 0.43 1.06 0.00 0.00 176.91 176.98 1ybj n SER 140 N -4.11 0.69 0.00 1.22 7.64 -0.05 -4.63 113.62 114.38 1ybj n SER 140 Ca 0.01 -0.48 0.00 0.00 1.01 0.00 0.00 58.87 59.42 1ybj n SER 140 Cb 0.28 0.80 0.00 0.00 -1.01 0.00 0.00 64.21 64.28 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 1.44 1.04 3.28 0.23 0.00 0.46 -4.97 105.19 106.66 1ybj n GLY 141 Ca 0.03 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.56 3.69 -0.09 1.61 -1.08 0.22 -4.75 116.67 113.71 1ybj s ASP 142 Ca 0.00 -0.45 0.14 0.00 -0.52 0.00 0.00 52.55 51.71 1ybj s ASP 142 Cb 0.00 -1.57 0.41 0.00 -1.46 0.00 0.00 42.92 40.30 1ybj s ASP 142 CO 0.00 0.10 1.33 0.35 0.52 0.00 0.00 175.17 177.46 1ybj n THR 143 N 3.98 1.67 0.50 1.71 -2.24 -1.26 -2.87 114.28 115.76 1ybj n THR 143 Ca -0.19 -1.47 0.13 0.00 -2.27 0.00 0.00 64.05 60.25 1ybj n THR 143 Cb 0.52 0.10 0.41 0.00 -2.10 0.00 0.00 70.33 69.26 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 1.80 0.00 0.80 3.38 0.00 -1.95 -2.21 103.07 104.89 1ybj h GLY 144 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 1ybj h GLY 144 CO 0.11 0.00 -1.84 0.00 0.00 0.00 0.00 176.54 174.81 1ybj n ALA 145 N -1.85 1.37 -0.12 3.60 0.00 -1.26 -4.26 120.51 118.00 1ybj n ALA 145 Ca 0.04 -0.79 -0.06 0.00 0.00 0.00 0.00 53.44 52.63 1ybj n ALA 145 Cb 0.39 -0.74 0.12 0.00 0.00 0.00 0.00 19.45 19.22 1ybj n ALA 145 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ybj h LEU 146 N 0.01 0.81 -1.13 0.00 6.46 -1.76 -2.15 115.31 117.55 1ybj h LEU 146 Ca -0.34 -0.23 0.13 0.00 -0.12 0.00 0.00 57.88 57.32 1ybj h LEU 146 Cb 2.04 -0.22 -0.08 0.00 -0.73 0.00 0.00 40.66 41.67 1ybj h LEU 146 CO 0.07 0.91 0.61 1.05 -0.62 0.00 0.00 178.44 180.46 1ybj h GLU 147 N 0.76 0.84 -0.22 1.25 4.11 -1.58 0.24 114.58 119.98 1ybj h GLU 147 Ca 0.14 -0.05 -0.19 0.00 0.07 0.00 0.00 59.36 59.33 1ybj h GLU 147 Cb 0.54 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1ybj h GLU 147 CO 0.03 0.56 -0.61 0.00 0.07 0.00 0.00 179.01 179.06 1ybj h THR 148 N 0.87 1.29 -0.15 -1.06 1.03 -1.58 -0.30 112.91 113.01 1ybj h THR 148 Ca 0.47 -1.83 -0.03 0.00 -0.01 0.00 0.00 66.41 65.02 1ybj h THR 148 Cb 0.58 1.77 -0.00 0.00 -1.07 0.00 0.00 68.15 69.42 1ybj h THR 148 CO -0.24 0.58 -0.01 0.00 -0.01 0.00 0.00 175.52 175.84 1ybj h ALA 149 N 0.73 0.20 -0.79 0.00 0.00 -1.03 -3.11 119.26 115.27 1ybj h ALA 149 Ca -0.01 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.76 1ybj h ALA 149 Cb 1.21 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 1ybj h ALA 149 CO 0.13 -0.08 0.46 -0.07 0.00 0.00 0.00 179.25 179.69 1ybj h LEU 150 N -0.01 0.70 0.00 0.00 3.38 -0.44 -1.10 115.31 117.84 1ybj h LEU 150 Ca 0.04 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ybj h LEU 150 Cb 0.41 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1ybj h LEU 150 CO 0.01 0.44 0.06 0.59 0.09 0.00 0.00 178.44 179.63 1ybj n ASN 151 N -4.71 0.00 -0.04 -0.43 3.02 -0.13 -1.83 115.26 111.14 1ybj n ASN 151 Ca 0.11 0.31 -0.13 0.00 -0.03 0.00 0.00 54.58 54.84 1ybj n ASN 151 Cb 0.20 -0.31 -0.01 0.00 -0.61 0.00 0.00 39.78 39.04 1ybj n ASN 151 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1ybj h GLY 152 N 0.00 0.83 0.13 7.41 0.00 -1.27 -2.53 103.07 107.64 1ybj h GLY 152 Ca 0.00 -1.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.12 1ybj h GLY 152 CO 0.00 0.90 -1.14 -2.22 0.00 0.00 0.00 176.54 174.08 1ybj h ILE 153 N 0.57 1.05 -0.91 2.60 5.03 -1.56 -3.39 117.51 120.91 1ybj h ILE 153 Ca 0.00 -2.25 0.15 0.00 -0.12 0.00 0.00 64.86 62.64 1ybj h ILE 153 Cb 1.18 2.50 -0.07 0.00 -3.03 0.00 0.00 36.82 37.39 1ybj h ILE 153 CO 0.12 0.46 0.58 -0.07 -0.68 0.00 0.00 178.15 178.56 1ybj h LEU 154 N -0.82 0.67 -2.20 1.44 -0.00 -1.63 -1.72 115.31 111.04 1ybj h LEU 154 Ca -0.29 0.04 0.01 0.00 -0.00 0.00 0.00 57.88 57.64 1ybj h LEU 154 Cb 1.38 -0.09 -0.00 0.00 -0.00 0.00 0.00 40.66 41.95 1ybj h LEU 154 CO -0.12 0.33 0.03 -0.78 -0.00 0.00 0.00 178.44 177.90 1ybj h ASP 155 N 0.70 0.00 0.05 -0.43 3.58 -1.54 0.32 116.42 119.10 1ybj h ASP 155 Ca 0.46 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.90 1ybj h ASP 155 Cb 0.74 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.78 1ybj h ASP 155 CO -0.22 0.00 -0.04 -0.78 -2.88 0.00 0.00 179.24 175.32 1ybj h ASP 156 N 0.00 0.00 -0.01 2.28 3.58 -1.53 -1.16 116.42 119.58 1ybj h ASP 156 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1ybj h ASP 156 Cb 0.07 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.12 1ybj h ASP 156 CO -0.00 0.04 -0.20 -1.22 -2.88 0.00 0.00 179.24 174.98 1ybj n TYR 157 N -4.42 0.00 -0.84 0.28 4.01 0.55 -4.97 117.16 111.79 1ybj n TYR 157 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1ybj n TYR 157 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 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 1.04 0.50 1.00 2.72 0.00 0.41 -5.06 105.19 105.81 1ybj n GLY 158 Ca 0.07 -0.77 -0.06 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 0.99 4.77 0.82 -4.88 117.00 118.70 1ybj n LEU 159 Ca 0.00 -0.58 -0.01 0.00 -0.03 0.00 0.00 56.01 55.39 1ybj n LEU 159 Cb 0.00 -0.15 0.01 0.00 -2.33 0.00 0.00 43.42 40.95 1ybj n LEU 159 CO 0.00 -0.60 0.17 -1.54 -1.33 0.00 0.00 177.39 174.09 1ybj n SER 160 N -2.92 -0.41 0.25 -1.43 3.41 -1.26 -3.79 113.62 107.47 1ybj n SER 160 Ca 0.04 -1.23 0.16 0.00 -0.26 0.00 0.00 58.87 57.58 1ybj n SER 160 Cb 0.15 0.67 0.87 0.00 -0.26 0.00 0.00 64.21 65.65 1ybj n SER 160 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 1ybj h VAL 161 N 1.22 0.51 -0.21 -3.33 -1.51 -1.93 -2.03 116.25 108.96 1ybj h VAL 161 Ca -0.06 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 1ybj h VAL 161 Cb 0.27 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 30.35 1ybj h VAL 161 CO 0.08 0.00 0.00 -0.46 -1.23 0.00 0.00 177.57 175.96 1ybj n ASN 162 N -3.84 1.79 -4.86 4.19 0.23 -1.26 0.05 115.26 111.55 1ybj n ASN 162 Ca -0.01 -2.13 -0.33 0.00 -0.53 0.00 0.00 54.58 51.58 1ybj n ASN 162 Cb 0.19 -0.33 -0.06 0.00 -2.08 0.00 0.00 39.78 37.51 1ybj n ASN 162 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 1ybj s SER 163 N -0.68 6.72 0.74 0.53 0.01 -0.76 -4.79 113.70 115.47 1ybj s SER 163 Ca 0.16 1.03 -0.12 0.00 1.31 0.00 0.00 55.95 58.34 1ybj s SER 163 Cb 0.10 -2.27 0.04 0.00 0.21 0.00 0.00 66.02 64.10 1ybj s SER 163 CO 0.08 -0.03 1.10 0.42 0.41 0.00 0.00 173.24 175.22 1ybj s THR 164 N -1.71 3.30 0.49 1.44 -4.23 -1.26 -1.43 115.64 112.24 1ybj s THR 164 Ca 0.45 0.48 0.21 0.00 -1.18 0.00 0.00 61.69 61.65 1ybj s THR 164 Cb -0.12 -2.97 0.38 0.00 1.34 0.00 0.00 72.50 71.12 1ybj s THR 164 CO 0.20 -0.50 1.96 -0.26 -0.54 0.00 0.00 174.62 175.48 1ybj h PHE 165 N -0.76 0.20 0.66 3.99 0.04 0.89 0.24 116.94 122.21 1ybj h PHE 165 Ca -0.45 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.30 1ybj h PHE 165 Cb 1.24 -0.06 0.01 0.00 2.20 0.00 0.00 35.95 39.33 1ybj h PHE 165 CO 0.57 0.08 -0.32 0.22 -0.60 0.00 0.00 178.31 178.26 1ybj h ASP 166 N 0.18 -0.76 -0.14 2.17 3.58 -1.82 -2.56 116.42 117.07 1ybj h ASP 166 Ca 0.31 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.78 1ybj h ASP 166 Cb 0.96 0.20 -0.01 0.00 1.72 0.00 0.00 39.33 42.20 1ybj h ASP 166 CO -0.05 -0.47 0.07 1.56 -2.88 0.00 0.00 179.24 177.46 1ybj h GLN 167 N -1.02 0.20 0.51 0.28 4.20 -1.74 -1.10 115.11 116.44 1ybj h GLN 167 Ca -0.09 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 1ybj h GLN 167 Cb 0.68 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.43 1ybj h GLN 167 CO 0.15 0.24 -0.28 0.28 -0.67 0.00 0.00 178.83 178.56 1ybj h VAL 168 N 0.11 0.43 -0.31 -0.54 2.07 -0.67 0.12 116.25 117.45 1ybj h VAL 168 Ca 0.05 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.60 1ybj h VAL 168 Cb 0.11 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 1ybj h VAL 168 CO -0.01 0.00 0.10 0.00 0.02 0.00 0.00 177.57 177.68 1ybj h ALA 169 N -0.26 0.35 -0.68 1.67 0.00 -1.46 -0.90 119.26 117.98 1ybj h ALA 169 Ca -0.06 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1ybj h ALA 169 Cb 0.58 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1ybj h ALA 169 CO 0.09 -0.30 0.39 0.00 0.00 0.00 0.00 179.25 179.43 1ybj h ALA 170 N 1.20 1.40 0.00 0.00 0.00 -1.02 0.44 119.26 121.29 1ybj h ALA 170 Ca 0.14 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1ybj h ALA 170 Cb 0.12 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1ybj h ALA 170 CO -0.15 0.50 -0.60 0.00 0.00 0.00 0.00 179.25 179.00 1ybj h ALA 171 N 1.49 0.74 0.00 0.00 0.00 -0.22 0.14 119.26 121.41 1ybj h ALA 171 Ca 0.24 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1ybj h ALA 171 Cb -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1ybj h ALA 171 CO -0.04 0.75 -1.19 0.25 0.00 0.00 0.00 179.25 179.02 1ybj n THR 172 N -3.43 0.50 -0.04 0.00 -2.24 -0.39 -0.52 114.28 108.15 1ybj n THR 172 Ca 0.00 -0.53 -0.14 0.00 -2.27 0.00 0.00 64.05 61.10 1ybj n THR 172 Cb 0.70 -0.27 -0.12 0.00 -2.10 0.00 0.00 70.33 68.54 1ybj n THR 172 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ybj h ALA 173 N 2.01 0.01 0.00 6.98 0.00 0.00 -3.40 119.26 124.86 1ybj h ALA 173 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ybj h ALA 173 Cb 1.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1ybj h ALA 173 CO 0.00 -0.01 0.00 1.55 0.00 0.00 0.00 179.25 180.79 1ybj n VAL 174 N -4.60 0.00 0.30 0.00 3.14 -0.28 -4.77 118.33 112.12 1ybj n VAL 174 Ca -0.10 0.00 0.19 0.00 -2.96 0.00 0.00 64.34 61.47 1ybj n VAL 174 Cb 0.46 0.48 0.83 0.00 -1.06 0.00 0.00 33.84 34.55 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 -7.04 7.55 0.00 -0.08 -3.39 103.07 100.12 1ybj h GLY 175 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1ybj h GLY 175 CO 0.00 0.00 0.56 3.33 0.00 0.00 0.00 176.54 180.43 1ybj n VAL 176 N -3.03 0.00 1.29 4.60 0.24 0.32 -4.67 118.33 117.07 1ybj n VAL 176 Ca -0.00 -0.23 0.09 0.00 -2.04 0.00 0.00 64.34 62.16 1ybj n VAL 176 Cb 0.23 -1.09 0.34 0.00 -1.47 0.00 0.00 33.84 31.84 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 6.39 1.62 -0.58 7.34 6.02 -1.26 -5.12 117.38 131.79 1ybj n GLN 177 Ca 0.23 -0.94 0.00 0.00 -0.01 0.00 0.00 57.00 56.28 1ybj n GLN 177 Cb 0.46 -1.34 0.00 0.00 1.02 0.00 0.00 30.24 30.38 1ybj n GLN 177 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63