#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bb2 n PHE 1 N 0.00 0.90 -2.63 -1.40 7.35 -1.26 -5.03 117.46 115.39 3bb2 n PHE 1 Ca 0.00 -1.56 -0.43 0.00 -0.76 0.00 0.00 57.45 54.70 3bb2 n PHE 1 Cb 0.00 -0.21 -0.02 0.00 0.35 0.00 0.00 39.48 39.59 3bb2 n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 3bb2 s ASN 2 N -3.15 7.17 0.12 -2.13 0.01 -1.26 -5.03 114.94 110.67 3bb2 s ASN 2 Ca 0.32 1.55 0.06 0.00 -0.71 0.00 0.00 52.86 54.08 3bb2 s ASN 2 Cb 0.35 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.42 3bb2 s ASN 2 CO -0.08 -0.53 0.00 -0.76 -1.51 0.00 0.00 177.10 174.23 3bb2 s LEU 3 N 2.35 3.43 0.66 0.60 1.43 -1.26 -0.77 118.68 125.13 3bb2 s LEU 3 Ca 0.49 -0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 53.24 3bb2 s LEU 3 Cb -0.19 -2.14 -0.01 0.00 0.03 0.00 0.00 46.19 43.88 3bb2 s LEU 3 CO 0.16 0.15 1.06 -2.16 0.23 0.00 0.00 176.35 175.79 3bb2 s PRO 4 N -2.51 3.22 0.74 1.29 0.04 -1.26 -4.55 135.00 131.96 3bb2 s PRO 4 Ca 0.26 0.62 -0.09 0.00 0.04 0.00 0.00 61.00 61.83 3bb2 s PRO 4 Cb -0.11 -2.05 0.06 0.00 0.04 0.00 0.00 34.50 32.44 3bb2 s PRO 4 CO 0.19 -0.81 1.08 -1.25 0.04 0.00 0.00 177.00 176.25 3bb2 s PRO 5 N -5.26 2.19 0.00 0.56 0.04 -1.26 -4.95 135.00 126.31 3bb2 s PRO 5 Ca 0.57 -0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.57 3bb2 s PRO 5 Cb -0.11 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.35 3bb2 s PRO 5 CO 0.53 -1.34 0.00 0.41 0.04 0.00 0.00 177.00 176.64 3bb2 n GLY 6 N -3.07 2.02 0.00 0.56 0.00 -1.26 -5.10 105.19 98.34 3bb2 n GLY 6 Ca 0.08 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.15 3bb2 n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3bb2 n ASN 7 N 0.00 0.00 -0.77 1.61 0.23 -1.26 -5.06 115.26 110.01 3bb2 n ASN 7 Ca 0.00 -0.99 0.07 0.00 -0.53 0.00 0.00 54.58 53.13 3bb2 n ASN 7 Cb 0.00 0.00 0.19 0.00 -2.08 0.00 0.00 39.78 37.89 3bb2 n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3bb2 n TYR 8 N 0.00 0.61 -0.27 -2.53 4.01 -1.26 -4.70 117.16 113.01 3bb2 n TYR 8 Ca 0.00 -0.55 0.06 0.00 -0.16 0.00 0.00 57.90 57.25 3bb2 n TYR 8 Cb 0.00 -0.07 0.21 0.00 -0.31 0.00 0.00 39.34 39.17 3bb2 n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3bb2 h LYS 9 N 2.26 0.47 -5.67 -0.72 1.57 -1.97 -3.44 116.57 109.07 3bb2 h LYS 9 Ca 0.00 -0.03 -0.52 0.00 -1.87 0.00 0.00 60.65 58.23 3bb2 h LYS 9 Cb 0.87 -0.11 -0.14 0.00 0.08 0.00 0.00 32.23 32.94 3bb2 h LYS 9 CO 0.04 0.31 -0.69 0.15 -0.57 0.00 0.00 179.45 178.69 3bb2 s LYS 10 N -5.99 1.59 0.82 3.15 1.02 -1.26 -5.13 119.74 113.94 3bb2 s LYS 10 Ca -0.12 -1.79 -0.11 0.00 0.02 0.00 0.00 55.97 53.97 3bb2 s LYS 10 Cb 0.21 -1.32 0.09 0.00 -0.52 0.00 0.00 37.83 36.29 3bb2 s LYS 10 CO 0.77 0.10 1.09 -1.25 -0.92 0.00 0.00 175.35 175.15 3bb2 s PRO 11 N -3.67 1.83 0.24 -1.68 0.04 -1.26 -4.75 135.00 125.75 3bb2 s PRO 11 Ca 0.29 1.09 -0.10 0.00 0.04 0.00 0.00 61.00 62.32 3bb2 s PRO 11 Cb 0.02 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.70 3bb2 s PRO 11 CO 0.12 -1.92 0.41 -1.59 0.04 0.00 0.00 177.00 174.06 3bb2 s LYS 12 N -4.89 1.50 -0.11 4.56 0.00 0.64 -4.19 119.74 117.25 3bb2 s LYS 12 Ca 0.62 -1.36 -0.05 0.00 0.00 0.00 0.00 55.97 55.18 3bb2 s LYS 12 Cb -0.18 0.43 -0.04 0.00 0.00 0.00 0.00 37.83 38.04 3bb2 s LYS 12 CO 0.57 -0.60 0.09 -0.51 0.00 0.00 0.00 175.35 174.90 3bb2 s LEU 13 N -3.06 4.11 -0.47 2.77 1.43 0.09 -0.52 118.68 123.03 3bb2 s LEU 13 Ca 0.26 0.35 -0.14 0.00 -1.03 0.00 0.00 54.13 53.58 3bb2 s LEU 13 Cb 0.01 -1.99 0.09 0.00 0.03 0.00 0.00 46.19 44.33 3bb2 s LEU 13 CO 0.10 0.39 0.38 -0.76 0.23 0.00 0.00 176.35 176.69 3bb2 s LEU 14 N -0.91 5.61 -0.22 1.79 1.43 -1.26 -0.42 118.68 124.70 3bb2 s LEU 14 Ca 0.14 -1.47 -0.19 0.00 -1.03 0.00 0.00 54.13 51.57 3bb2 s LEU 14 Cb -0.12 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.94 3bb2 s LEU 14 CO 0.03 -0.66 0.56 -0.47 0.23 0.00 0.00 176.35 176.04 3bb2 s TYR 15 N 1.57 3.34 -0.35 0.29 5.04 -0.36 -1.11 117.35 125.77 3bb2 s TYR 15 Ca 0.04 0.79 -0.21 0.00 -2.44 0.00 0.00 57.07 55.25 3bb2 s TYR 15 Cb -0.25 -2.74 0.00 0.00 0.35 0.00 0.00 41.96 39.32 3bb2 s TYR 15 CO 0.05 -0.19 0.65 0.00 -1.34 0.00 0.00 175.55 174.72 3bb2 h SER 17 N 8.41 0.00 0.86 0.00 4.64 -1.63 -0.14 113.55 125.69 3bb2 h SER 17 Ca -0.26 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.02 3bb2 h SER 17 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3bb2 h SER 17 CO 0.84 0.00 -0.48 -1.13 -0.87 0.00 0.00 176.83 175.19 3bb2 h ASN 18 N 0.00 -1.19 -0.04 4.97 -1.24 -1.77 -3.35 115.58 112.96 3bb2 h ASN 18 Ca 0.00 0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.07 3bb2 h ASN 18 Cb 0.12 0.33 0.00 0.00 0.73 0.00 0.00 38.32 39.51 3bb2 h ASN 18 CO 0.00 -0.77 0.00 0.61 -1.29 0.00 0.00 177.43 175.98 3bb2 n GLY 19 N -1.63 -0.16 1.99 1.57 0.00 -1.22 -4.84 105.19 100.90 3bb2 n GLY 19 Ca -0.15 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3bb2 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bb2 n GLY 20 N 0.18 0.38 3.90 -0.02 0.00 -0.07 -5.02 105.19 104.54 3bb2 n GLY 20 Ca 0.03 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 3bb2 n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bb2 s HIS 21 N -2.00 3.50 -0.05 1.61 3.76 -1.16 -4.65 115.29 116.31 3bb2 s HIS 21 Ca 0.00 0.51 -0.16 0.00 -0.15 0.00 0.00 55.06 55.26 3bb2 s HIS 21 Cb 0.00 -1.96 -0.05 0.00 1.11 0.00 0.00 32.58 31.68 3bb2 s HIS 21 CO 0.00 0.50 0.42 -0.06 -0.85 0.00 0.00 174.74 174.75 3bb2 s PHE 22 N -1.56 3.65 0.28 1.40 0.08 0.52 -0.20 117.98 122.14 3bb2 s PHE 22 Ca 0.37 0.93 -0.29 0.00 0.12 0.00 0.00 56.93 58.06 3bb2 s PHE 22 Cb -0.13 -2.37 -0.10 0.00 -0.57 0.00 0.00 43.02 39.86 3bb2 s PHE 22 CO 0.24 0.48 1.38 -1.17 -0.10 0.00 0.00 175.22 176.04 3bb2 s LEU 23 N -0.47 4.40 -0.02 -0.37 2.96 -0.27 -1.25 118.68 123.66 3bb2 s LEU 23 Ca 0.24 2.67 0.02 0.00 -0.22 0.00 0.00 54.13 56.83 3bb2 s LEU 23 Cb -0.16 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.90 3bb2 s LEU 23 CO 0.12 -0.63 -0.06 -0.60 -1.32 0.00 0.00 176.35 173.86 3bb2 s ARG 24 N -1.00 0.67 -0.26 1.98 3.52 0.55 -4.45 118.95 119.95 3bb2 s ARG 24 Ca 0.55 -0.20 0.01 0.00 -0.13 0.00 0.00 55.73 55.96 3bb2 s ARG 24 Cb -0.41 -0.66 0.05 0.00 -1.56 0.00 0.00 34.95 32.38 3bb2 s ARG 24 CO 0.48 0.07 -0.09 0.42 -0.81 0.00 0.00 175.30 175.37 3bb2 s ILE 25 N 0.23 2.43 0.62 4.11 1.01 -0.86 -1.14 121.20 127.59 3bb2 s ILE 25 Ca -0.03 -1.47 -0.15 0.00 0.00 0.00 0.00 60.65 59.00 3bb2 s ILE 25 Cb -0.07 -2.37 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 3bb2 s ILE 25 CO -0.00 0.01 1.08 -0.62 0.00 0.00 0.00 174.94 175.41 3bb2 s ASP 26 N 1.17 5.54 0.54 3.58 2.15 0.11 -4.81 116.67 124.95 3bb2 s ASP 26 Ca -0.06 1.88 0.24 0.00 0.43 0.00 0.00 52.55 55.04 3bb2 s ASP 26 Cb -0.19 -2.54 1.41 0.00 -0.30 0.00 0.00 42.92 41.30 3bb2 s ASP 26 CO -0.05 -1.33 2.04 -0.65 -0.17 0.00 0.00 175.17 175.01 3bb2 h PRO 27 N 0.28 0.00 -0.00 4.34 0.11 -1.98 0.50 132.00 135.25 3bb2 h PRO 27 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3bb2 h PRO 27 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3bb2 h PRO 27 CO 0.56 0.00 -0.01 0.27 -0.21 0.00 0.00 178.00 178.62 3bb2 n ASN 28 N -4.31 0.23 0.00 -2.05 0.23 -1.26 -4.90 115.26 103.20 3bb2 n ASN 28 Ca 0.06 -0.98 0.00 0.00 -0.53 0.00 0.00 54.58 53.13 3bb2 n ASN 28 Cb 0.46 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.13 3bb2 n ASN 28 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3bb2 n GLY 29 N 1.06 0.28 3.75 4.83 0.00 0.17 -4.97 105.19 110.31 3bb2 n GLY 29 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 3bb2 n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bb2 s THR 30 N -2.09 3.16 -0.08 2.61 2.01 -1.26 -0.37 115.64 119.62 3bb2 s THR 30 Ca 0.00 1.06 0.01 0.00 0.31 0.00 0.00 61.69 63.08 3bb2 s THR 30 Cb 0.00 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 3bb2 s THR 30 CO 0.00 0.21 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.35 3bb2 s VAL 31 N -0.61 3.38 0.00 3.82 1.01 -1.26 0.09 120.40 126.83 3bb2 s VAL 31 Ca 0.51 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.90 3bb2 s VAL 31 Cb -0.36 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.64 3bb2 s VAL 31 CO 0.43 0.58 0.00 -0.90 0.00 0.00 0.00 175.10 175.21 3bb2 n ASP 32 N 2.54 0.00 -4.21 3.32 5.75 -0.29 -4.59 116.55 119.07 3bb2 n ASP 32 Ca -0.18 -0.41 -0.20 0.00 -0.01 0.00 0.00 54.79 53.99 3bb2 n ASP 32 Cb 0.53 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.49 3bb2 n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3bb2 s GLY 33 N -0.78 1.00 0.04 6.12 0.00 0.68 -0.33 107.32 114.05 3bb2 s GLY 33 Ca 0.00 -1.09 0.02 0.00 0.00 0.00 0.00 44.72 43.65 3bb2 s GLY 33 CO 0.00 -1.11 -0.07 -1.08 0.00 0.00 0.00 173.10 170.84 3bb2 s THR 34 N -1.23 0.52 -2.03 0.90 -1.32 -0.38 -4.80 115.64 107.30 3bb2 s THR 34 Ca 0.01 -1.11 0.26 0.00 -1.21 0.00 0.00 61.69 59.63 3bb2 s THR 34 Cb -0.10 -0.64 0.26 0.00 -1.51 0.00 0.00 72.50 70.51 3bb2 s THR 34 CO 0.03 -0.42 1.48 0.54 -2.21 0.00 0.00 174.62 174.04 3bb2 n ARG 35 N 1.39 1.16 -2.56 7.08 1.74 -1.26 -0.36 116.66 123.86 3bb2 n ARG 35 Ca -0.22 -0.78 -0.41 0.00 -0.77 0.00 0.00 57.85 55.67 3bb2 n ARG 35 Cb 0.55 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 3bb2 n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3bb2 s ASP 36 N -2.37 6.17 0.36 0.55 2.15 -1.26 -4.86 116.67 117.41 3bb2 s ASP 36 Ca 0.26 -0.43 0.25 0.00 0.43 0.00 0.00 52.55 53.06 3bb2 s ASP 36 Cb 0.19 -2.56 1.30 0.00 -0.30 0.00 0.00 42.92 41.55 3bb2 s ASP 36 CO 0.48 -1.82 1.76 0.03 -0.17 0.00 0.00 175.17 175.46 3bb2 h ARG 37 N 10.00 0.00 0.00 4.34 3.08 -2.00 -1.46 114.38 128.34 3bb2 h ARG 37 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 3bb2 h ARG 37 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.10 3bb2 h ARG 37 CO 1.27 0.00 -0.44 -1.13 -1.07 0.00 0.00 179.97 178.60 3bb2 n SER 38 N -2.37 0.46 -4.67 7.04 3.41 -1.26 -4.91 113.62 111.31 3bb2 n SER 38 Ca -0.01 -0.05 -0.44 0.00 -0.26 0.00 0.00 58.87 58.11 3bb2 n SER 38 Cb 0.08 0.10 -0.02 0.00 -0.26 0.00 0.00 64.21 64.11 3bb2 n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3bb2 n ASP 39 N -1.63 2.58 -0.70 4.04 -0.08 -0.55 -4.89 116.55 115.32 3bb2 n ASP 39 Ca 0.05 1.18 0.09 0.00 -1.51 0.00 0.00 54.79 54.60 3bb2 n ASP 39 Cb 0.36 -1.43 0.27 0.00 2.34 0.00 0.00 41.12 42.65 3bb2 n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3bb2 n GLN 40 N 1.22 1.90 -0.32 -0.67 1.13 -1.26 -3.96 117.38 115.42 3bb2 n GLN 40 Ca 0.08 -1.37 0.08 0.00 -1.94 0.00 0.00 57.00 53.84 3bb2 n GLN 40 Cb 0.33 -1.37 0.18 0.00 0.11 0.00 0.00 30.24 29.50 3bb2 n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3bb2 n HIS 41 N 0.60 0.26 0.45 1.08 8.25 -1.26 -4.50 115.22 120.09 3bb2 n HIS 41 Ca 0.15 -1.15 0.05 0.00 -0.26 0.00 0.00 57.72 56.51 3bb2 n HIS 41 Cb 0.36 -0.23 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 3bb2 n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3bb2 n ILE 42 N -1.19 0.00 -2.46 1.59 -5.35 -1.25 -2.04 119.36 108.66 3bb2 n ILE 42 Ca 0.19 -0.33 -0.43 0.00 -0.27 0.00 0.00 62.75 61.92 3bb2 n ILE 42 Cb 0.73 1.05 -0.02 0.00 -1.74 0.00 0.00 39.64 39.66 3bb2 n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3bb2 s GLN 43 N -1.67 4.01 -0.00 6.28 1.11 -1.26 -4.48 119.66 123.65 3bb2 s GLN 43 Ca 0.06 1.31 0.08 0.00 0.01 0.00 0.00 55.36 56.82 3bb2 s GLN 43 Cb 0.08 -3.83 -0.02 0.00 -1.01 0.00 0.00 33.01 28.23 3bb2 s GLN 43 CO 0.33 -0.99 -0.25 -0.51 0.01 0.00 0.00 175.29 173.88 3bb2 s LEU 44 N 4.05 2.13 -0.30 2.90 1.43 0.32 -1.72 118.68 127.49 3bb2 s LEU 44 Ca 0.54 -0.48 -0.07 0.00 -1.03 0.00 0.00 54.13 53.08 3bb2 s LEU 44 Cb -0.17 -1.34 0.01 0.00 0.03 0.00 0.00 46.19 44.71 3bb2 s LEU 44 CO 0.20 0.31 0.10 -1.58 0.23 0.00 0.00 176.35 175.60 3bb2 s GLN 45 N -0.78 3.13 0.29 1.70 2.00 0.10 -0.26 119.66 125.84 3bb2 s GLN 45 Ca 0.11 -0.84 -0.06 0.00 -2.00 0.00 0.00 55.36 52.57 3bb2 s GLN 45 Cb -0.10 -3.42 -0.06 0.00 0.80 0.00 0.00 33.01 30.23 3bb2 s GLN 45 CO -0.00 -0.45 0.58 -0.51 -0.50 0.00 0.00 175.29 174.41 3bb2 s LEU 46 N 1.52 4.05 -0.02 3.68 1.02 -1.26 -0.82 118.68 126.85 3bb2 s LEU 46 Ca 0.03 0.78 -0.16 0.00 0.02 0.00 0.00 54.13 54.80 3bb2 s LEU 46 Cb -0.17 -3.60 0.03 0.00 0.02 0.00 0.00 46.19 42.46 3bb2 s LEU 46 CO 0.03 -0.20 0.35 -0.94 0.02 0.00 0.00 176.35 175.61 3bb2 s SER 47 N -3.05 -0.24 0.30 2.29 1.04 -0.86 -4.80 113.70 108.38 3bb2 s SER 47 Ca 0.45 0.15 -0.07 0.00 0.48 0.00 0.00 55.95 56.95 3bb2 s SER 47 Cb -0.11 0.33 -0.06 0.00 0.10 0.00 0.00 66.02 66.29 3bb2 s SER 47 CO 0.29 -0.47 0.60 0.00 0.98 0.00 0.00 173.24 174.64 3bb2 s ALA 48 N -1.32 3.55 0.00 5.32 0.00 -1.26 -1.02 121.76 127.02 3bb2 s ALA 48 Ca -0.13 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.42 3bb2 s ALA 48 Cb -0.05 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.65 3bb2 s ALA 48 CO 0.05 0.26 0.00 -1.91 0.00 0.00 0.00 175.76 174.16 3bb2 n GLU 49 N -0.80 0.00 -1.93 0.00 4.07 -0.90 -4.88 120.64 116.20 3bb2 n GLU 49 Ca -0.00 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.81 3bb2 n GLU 49 Cb 0.54 0.00 0.12 0.00 -0.06 0.00 0.00 31.44 32.04 3bb2 n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 3bb2 s SER 50 N 0.48 4.03 0.22 4.31 0.01 -1.26 -4.90 113.70 116.59 3bb2 s SER 50 Ca 0.00 0.58 -0.32 0.00 1.31 0.00 0.00 55.95 57.52 3bb2 s SER 50 Cb 0.00 -0.92 -0.12 0.00 0.21 0.00 0.00 66.02 65.19 3bb2 s SER 50 CO 0.00 -2.19 1.69 0.52 0.41 0.00 0.00 173.24 173.67 3bb2 n VAL 51 N -3.46 0.18 -0.94 3.43 0.31 -1.26 -1.38 118.33 115.22 3bb2 n VAL 51 Ca 0.11 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 3bb2 n VAL 51 Cb 0.60 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 3bb2 n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3bb2 n GLY 52 N 3.60 0.92 3.61 2.92 0.00 -1.26 -5.02 105.19 109.96 3bb2 n GLY 52 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3bb2 n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bb2 s GLU 53 N -0.06 3.06 0.07 1.61 2.02 -0.48 -1.18 118.70 123.74 3bb2 s GLU 53 Ca 0.00 -0.48 0.01 0.00 0.02 0.00 0.00 54.97 54.53 3bb2 s GLU 53 Cb 0.00 -2.76 -0.03 0.00 0.10 0.00 0.00 34.13 31.44 3bb2 s GLU 53 CO 0.00 0.59 -0.06 0.14 0.02 0.00 0.00 175.26 175.95 3bb2 s VAL 54 N -0.58 0.55 0.07 2.63 -7.23 0.66 -2.11 120.40 114.38 3bb2 s VAL 54 Ca 0.09 -1.59 0.04 0.00 -1.81 0.00 0.00 61.98 58.71 3bb2 s VAL 54 Cb -0.12 -1.24 -0.04 0.00 0.56 0.00 0.00 36.38 35.54 3bb2 s VAL 54 CO 0.02 -0.72 0.04 -0.31 -0.31 0.00 0.00 175.10 173.82 3bb2 s TYR 55 N -2.84 3.09 -0.24 2.82 2.02 -0.19 -1.44 117.35 120.58 3bb2 s TYR 55 Ca 0.03 0.03 0.01 0.00 -0.37 0.00 0.00 57.07 56.77 3bb2 s TYR 55 Cb -0.00 -1.59 0.06 0.00 -0.40 0.00 0.00 41.96 40.03 3bb2 s TYR 55 CO -0.04 0.50 -0.06 0.42 -1.57 0.00 0.00 175.55 174.80 3bb2 s ILE 56 N -1.32 1.62 -0.09 2.71 1.01 -1.26 -2.02 121.20 121.84 3bb2 s ILE 56 Ca 0.27 -1.28 0.02 0.00 0.00 0.00 0.00 60.65 59.66 3bb2 s ILE 56 Cb -0.12 -1.86 -0.02 0.00 0.01 0.00 0.00 42.46 40.47 3bb2 s ILE 56 CO 0.19 -0.09 -0.15 -0.75 0.00 0.00 0.00 174.94 174.14 3bb2 s LYS 57 N 1.35 2.96 -0.04 2.79 2.20 -0.00 -0.57 119.74 128.42 3bb2 s LYS 57 Ca -0.06 -0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 54.54 3bb2 s LYS 57 Cb -0.19 -2.48 -0.05 0.00 -1.51 0.00 0.00 37.83 33.60 3bb2 s LYS 57 CO -0.06 0.39 1.43 0.45 -0.36 0.00 0.00 175.35 177.20 3bb2 s SER 58 N -0.13 6.83 0.30 1.43 0.15 0.94 0.03 113.70 123.25 3bb2 s SER 58 Ca -0.02 2.05 0.13 0.00 0.70 0.00 0.00 55.95 58.82 3bb2 s SER 58 Cb -0.14 -2.55 0.41 0.00 -1.71 0.00 0.00 66.02 62.04 3bb2 s SER 58 CO 0.04 -0.77 1.62 0.71 1.20 0.00 0.00 173.24 176.04 3bb2 h THR 59 N 5.17 1.24 -0.02 6.45 1.35 -1.66 0.31 112.91 125.74 3bb2 h THR 59 Ca -0.36 -2.01 -0.23 0.00 -0.55 0.00 0.00 66.41 63.25 3bb2 h THR 59 Cb 1.16 2.13 0.01 0.00 -1.73 0.00 0.00 68.15 69.73 3bb2 h THR 59 CO 0.93 0.54 -0.94 -0.08 -0.25 0.00 0.00 175.52 175.73 3bb2 h GLU 60 N 0.00 0.54 0.00 4.72 4.57 -1.80 -3.38 114.58 119.23 3bb2 h GLU 60 Ca -0.01 -0.55 0.00 0.00 -1.18 0.00 0.00 59.36 57.62 3bb2 h GLU 60 Cb 1.09 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 3bb2 h GLU 60 CO 0.07 1.18 -0.35 0.25 -1.18 0.00 0.00 179.01 178.98 3bb2 n THR 61 N -3.81 0.00 -0.33 0.32 -2.24 -1.22 -5.01 114.28 101.99 3bb2 n THR 61 Ca -0.08 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 3bb2 n THR 61 Cb 0.83 0.92 0.00 0.00 -2.10 0.00 0.00 70.33 69.97 3bb2 n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bb2 n GLY 62 N 1.26 1.98 3.80 3.38 0.00 0.10 -5.02 105.19 110.69 3bb2 n GLY 62 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3bb2 n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bb2 s GLN 63 N -0.13 3.62 -0.07 1.61 -0.21 -1.26 -4.74 119.66 118.49 3bb2 s GLN 63 Ca 0.00 1.28 -0.02 0.00 0.02 0.00 0.00 55.36 56.64 3bb2 s GLN 63 Cb 0.00 -2.07 -0.04 0.00 1.00 0.00 0.00 33.01 31.90 3bb2 s GLN 63 CO 0.00 -0.57 0.04 0.71 -2.12 0.00 0.00 175.29 173.35 3bb2 s TYR 64 N -2.20 3.26 0.28 0.91 1.51 -0.07 -0.04 117.35 120.99 3bb2 s TYR 64 Ca 0.65 0.25 -0.29 0.00 -1.01 0.00 0.00 57.07 56.67 3bb2 s TYR 64 Cb -0.16 -1.79 -0.10 0.00 -0.11 0.00 0.00 41.96 39.80 3bb2 s TYR 64 CO 0.27 0.53 1.28 -1.17 -1.11 0.00 0.00 175.55 175.36 3bb2 s LEU 65 N -1.15 4.44 0.06 -1.29 2.96 0.27 -0.03 118.68 123.95 3bb2 s LEU 65 Ca 0.16 2.53 -0.06 0.00 -0.22 0.00 0.00 54.13 56.54 3bb2 s LEU 65 Cb -0.12 -3.63 -0.01 0.00 0.50 0.00 0.00 46.19 42.93 3bb2 s LEU 65 CO 0.06 -0.48 0.12 0.00 -1.32 0.00 0.00 176.35 174.73 3bb2 s ALA 66 N -0.68 -0.03 -0.09 5.97 0.00 -0.14 -4.36 121.76 122.43 3bb2 s ALA 66 Ca 0.51 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.78 3bb2 s ALA 66 Cb -0.38 0.36 0.02 0.00 0.00 0.00 0.00 23.12 23.12 3bb2 s ALA 66 CO 0.46 -0.42 -0.13 1.41 0.00 0.00 0.00 175.76 177.08 3bb2 s MET 67 N -3.46 1.94 0.58 0.00 1.75 -0.59 -0.90 119.30 118.62 3bb2 s MET 67 Ca 0.02 -0.47 -0.06 0.00 -1.25 0.00 0.00 55.69 53.93 3bb2 s MET 67 Cb 0.04 -1.67 0.13 0.00 2.84 0.00 0.00 34.83 36.16 3bb2 s MET 67 CO -0.09 -0.06 0.79 -0.40 -0.65 0.00 0.00 175.02 174.62 3bb2 n ASP 68 N 4.16 0.42 0.00 1.11 5.68 -0.24 -4.81 116.55 122.86 3bb2 n ASP 68 Ca -0.19 -1.50 0.09 0.00 -0.50 0.00 0.00 54.79 52.68 3bb2 n ASP 68 Cb 0.51 -0.57 0.39 0.00 -1.14 0.00 0.00 41.12 40.31 3bb2 n ASP 68 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3bb2 n THR 69 N -2.87 0.73 1.04 2.12 -2.24 -1.26 -0.92 114.28 110.88 3bb2 n THR 69 Ca 0.11 0.18 0.12 0.00 -2.27 0.00 0.00 64.05 62.20 3bb2 n THR 69 Cb 0.39 -0.87 0.27 0.00 -2.10 0.00 0.00 70.33 68.02 3bb2 n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3bb2 n ASP 70 N -1.49 2.52 0.00 3.42 8.00 -1.26 -4.95 116.55 122.78 3bb2 n ASP 70 Ca 0.05 -1.83 0.00 0.00 0.71 0.00 0.00 54.79 53.72 3bb2 n ASP 70 Cb 0.21 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 3bb2 n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bb2 n GLY 71 N 1.31 0.57 3.81 0.44 0.00 -0.09 -4.62 105.19 106.60 3bb2 n GLY 71 Ca 0.17 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 3bb2 n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bb2 s LEU 72 N 0.00 4.20 0.37 0.99 1.02 -1.26 0.06 118.68 124.06 3bb2 s LEU 72 Ca 0.00 0.35 -0.25 0.00 0.02 0.00 0.00 54.13 54.25 3bb2 s LEU 72 Cb 0.00 -2.03 -0.09 0.00 0.02 0.00 0.00 46.19 44.09 3bb2 s LEU 72 CO 0.00 0.35 1.06 -0.76 0.02 0.00 0.00 176.35 177.02 3bb2 s LEU 73 N -0.68 4.23 0.19 1.79 1.43 -1.26 -1.08 118.68 123.30 3bb2 s LEU 73 Ca 0.13 2.10 -0.18 0.00 -1.03 0.00 0.00 54.13 55.14 3bb2 s LEU 73 Cb -0.12 -4.06 0.03 0.00 0.03 0.00 0.00 46.19 42.07 3bb2 s LEU 73 CO 0.02 -0.43 0.53 -0.72 0.23 0.00 0.00 176.35 175.99 3bb2 s TYR 74 N -1.54 -0.16 -0.18 0.29 1.13 -0.08 -4.55 117.35 112.26 3bb2 s TYR 74 Ca 0.55 -0.17 -0.15 0.00 -1.41 0.00 0.00 57.07 55.88 3bb2 s TYR 74 Cb -0.24 0.42 -0.04 0.00 -1.10 0.00 0.00 41.96 40.99 3bb2 s TYR 74 CO 0.31 -0.92 0.36 0.20 -2.51 0.00 0.00 175.55 172.98 3bb2 s GLY 75 N -2.86 2.15 -0.08 5.49 0.00 0.50 -0.96 107.32 111.56 3bb2 s GLY 75 Ca 0.08 -0.49 -0.04 0.00 0.00 0.00 0.00 44.72 44.27 3bb2 s GLY 75 CO -0.04 0.65 0.10 -0.45 0.00 0.00 0.00 173.10 173.37 3bb2 s SER 76 N 0.81 5.99 0.54 1.64 0.15 0.96 -4.75 113.70 119.05 3bb2 s SER 76 Ca 0.18 0.32 0.33 0.00 0.70 0.00 0.00 55.95 57.48 3bb2 s SER 76 Cb -0.14 -1.84 1.44 0.00 -1.71 0.00 0.00 66.02 63.76 3bb2 s SER 76 CO 0.07 0.36 2.02 1.56 1.20 0.00 0.00 173.24 178.45 3bb2 h GLN 77 N 4.73 0.00 -4.81 5.44 1.08 -1.92 -0.16 115.11 119.48 3bb2 h GLN 77 Ca -0.52 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.38 3bb2 h GLN 77 Cb 1.21 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 28.45 3bb2 h GLN 77 CO 0.59 0.06 -0.73 0.95 -0.95 0.00 0.00 178.83 178.75 3bb2 s THR 78 N -3.79 0.77 -0.58 -0.54 -4.23 -1.26 -4.84 115.64 101.17 3bb2 s THR 78 Ca -0.00 -1.46 -0.21 0.00 -1.18 0.00 0.00 61.69 58.84 3bb2 s THR 78 Cb 0.10 -1.12 0.07 0.00 1.34 0.00 0.00 72.50 72.89 3bb2 s THR 78 CO 0.55 -0.52 0.79 -2.16 -0.54 0.00 0.00 174.62 172.74 3bb2 s PRO 79 N -2.45 3.13 0.00 3.99 0.04 -1.26 -4.76 135.00 133.69 3bb2 s PRO 79 Ca 0.00 -0.90 0.00 0.00 0.04 0.00 0.00 61.00 60.15 3bb2 s PRO 79 Cb -0.05 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.32 3bb2 s PRO 79 CO -0.00 -1.51 0.00 0.27 0.04 0.00 0.00 177.00 175.79 3bb2 n ASN 80 N 6.83 1.30 0.30 6.66 0.23 -1.26 -4.99 115.26 124.33 3bb2 n ASN 80 Ca -0.05 -0.67 0.16 0.00 -0.53 0.00 0.00 54.58 53.49 3bb2 n ASN 80 Cb 0.45 0.00 0.96 0.00 -2.08 0.00 0.00 39.78 39.11 3bb2 n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3bb2 h GLU 81 N 0.00 0.00 0.00 -3.83 4.11 -1.98 0.26 114.58 113.13 3bb2 h GLU 81 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3bb2 h GLU 81 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3bb2 h GLU 81 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.47 3bb2 n GLU 82 N -3.72 0.37 0.00 1.06 1.02 -1.26 -3.49 120.64 114.62 3bb2 n GLU 82 Ca -0.03 0.01 0.08 0.00 -0.02 0.00 0.00 57.16 57.20 3bb2 n GLU 82 Cb 0.10 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.08 3bb2 n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bb2 s LEU 84 N -1.31 4.34 0.06 0.00 1.43 -1.23 -4.47 118.68 117.51 3bb2 s LEU 84 Ca 0.17 0.92 0.06 0.00 -1.03 0.00 0.00 54.13 54.26 3bb2 s LEU 84 Cb 0.12 -2.73 -0.03 0.00 0.03 0.00 0.00 46.19 43.59 3bb2 s LEU 84 CO 0.20 0.08 -0.17 -0.36 0.23 0.00 0.00 176.35 176.33 3bb2 s PHE 85 N 0.14 1.48 -0.46 0.29 0.40 -0.52 -1.24 117.98 118.07 3bb2 s PHE 85 Ca 0.27 -0.40 -0.22 0.00 -0.60 0.00 0.00 56.93 55.98 3bb2 s PHE 85 Cb -0.16 -0.85 0.03 0.00 0.51 0.00 0.00 43.02 42.55 3bb2 s PHE 85 CO 0.12 0.09 0.74 -0.51 0.70 0.00 0.00 175.22 176.36 3bb2 s LEU 86 N -1.46 4.38 -0.22 -0.37 1.43 0.12 -0.25 118.68 122.32 3bb2 s LEU 86 Ca 0.03 -0.28 -0.20 0.00 -1.03 0.00 0.00 54.13 52.65 3bb2 s LEU 86 Cb -0.09 -2.83 -0.02 0.00 0.03 0.00 0.00 46.19 43.28 3bb2 s LEU 86 CO 0.02 -0.89 0.61 -0.70 0.23 0.00 0.00 176.35 175.61 3bb2 s GLU 87 N 3.13 4.17 0.05 1.70 2.12 -0.33 -1.46 118.70 128.08 3bb2 s GLU 87 Ca 0.26 0.54 0.02 0.00 0.36 0.00 0.00 54.97 56.16 3bb2 s GLU 87 Cb -0.13 -3.60 -0.03 0.00 0.26 0.00 0.00 34.13 30.63 3bb2 s GLU 87 CO 0.20 -0.29 -0.08 1.03 -0.54 0.00 0.00 175.26 175.58 3bb2 s ARG 88 N 2.09 0.60 0.37 4.30 1.81 -0.38 -4.69 118.95 123.04 3bb2 s ARG 88 Ca 0.27 -0.86 -0.26 0.00 -1.72 0.00 0.00 55.73 53.16 3bb2 s ARG 88 Cb -0.16 -0.33 -0.09 0.00 -0.45 0.00 0.00 34.95 33.92 3bb2 s ARG 88 CO 0.09 0.05 1.10 -1.17 -0.68 0.00 0.00 175.30 174.70 3bb2 s LEU 89 N -1.80 4.27 0.00 2.53 2.96 0.05 -0.52 118.68 126.18 3bb2 s LEU 89 Ca -0.06 2.21 0.01 0.00 -0.22 0.00 0.00 54.13 56.06 3bb2 s LEU 89 Cb -0.08 -3.97 -0.00 0.00 0.50 0.00 0.00 46.19 42.63 3bb2 s LEU 89 CO -0.00 -0.46 -0.03 -0.70 -1.32 0.00 0.00 176.35 173.85 3bb2 s GLU 90 N -2.14 0.21 -1.25 1.98 2.56 0.52 -4.81 118.70 115.77 3bb2 s GLU 90 Ca 0.54 -0.17 -0.05 0.00 0.00 0.00 0.00 54.97 55.29 3bb2 s GLU 90 Cb -0.28 -0.16 0.03 0.00 2.00 0.00 0.00 34.13 35.73 3bb2 s GLU 90 CO 0.35 0.04 0.32 0.39 -0.56 0.00 0.00 175.26 175.80 3bb2 n GLU 91 N 2.79 -3.19 -2.32 4.30 1.02 -1.26 -0.91 120.64 121.08 3bb2 n GLU 91 Ca -0.14 0.60 -0.20 0.00 -0.02 0.00 0.00 57.16 57.40 3bb2 n GLU 91 Cb 0.59 -5.29 -0.02 0.00 -0.02 0.00 0.00 31.44 26.69 3bb2 n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3bb2 n ASN 92 N -2.15 -5.62 0.00 1.62 4.13 -1.26 -4.59 115.26 107.39 3bb2 n ASN 92 Ca -0.08 0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.24 3bb2 n ASN 92 Cb 0.58 -4.72 0.00 0.00 -1.54 0.00 0.00 39.78 34.11 3bb2 n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 3bb2 n HIS 93 N -3.76 -1.93 -2.26 3.10 -0.00 -0.28 -5.16 115.22 104.93 3bb2 n HIS 93 Ca -0.23 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.23 3bb2 n HIS 93 Cb 0.68 0.39 0.06 0.00 -0.00 0.00 0.00 29.99 31.11 3bb2 n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 3bb2 s TYR 94 N -1.86 3.00 -0.09 1.57 2.02 -0.09 -4.82 117.35 117.08 3bb2 s TYR 94 Ca 0.00 0.47 -0.03 0.00 -0.37 0.00 0.00 57.07 57.15 3bb2 s TYR 94 Cb 0.00 -3.06 -0.03 0.00 -0.40 0.00 0.00 41.96 38.46 3bb2 s TYR 94 CO 0.00 -1.24 0.02 -0.80 -1.57 0.00 0.00 175.55 171.96 3bb2 s ASN 95 N -4.46 5.39 0.26 2.29 -0.87 0.14 -0.35 114.94 117.33 3bb2 s ASN 95 Ca 0.58 0.19 0.11 0.00 -1.57 0.00 0.00 52.86 52.18 3bb2 s ASN 95 Cb -0.11 -1.55 -0.05 0.00 -0.02 0.00 0.00 41.25 39.52 3bb2 s ASN 95 CO 0.45 0.38 -0.20 0.42 -2.57 0.00 0.00 177.10 175.58 3bb2 s THR 96 N -0.91 2.34 -0.20 1.60 -4.23 0.32 -0.77 115.64 113.80 3bb2 s THR 96 Ca 0.14 -2.32 -0.02 0.00 -1.18 0.00 0.00 61.69 58.30 3bb2 s THR 96 Cb -0.11 -2.23 0.06 0.00 1.34 0.00 0.00 72.50 71.56 3bb2 s THR 96 CO 0.03 -0.39 0.03 -0.31 -0.54 0.00 0.00 174.62 173.43 3bb2 s TYR 97 N -2.46 1.17 -0.15 3.99 2.02 -1.26 -1.25 117.35 119.41 3bb2 s TYR 97 Ca 0.27 -0.96 -0.08 0.00 -0.37 0.00 0.00 57.07 55.94 3bb2 s TYR 97 Cb -0.05 -1.09 -0.04 0.00 -0.40 0.00 0.00 41.96 40.38 3bb2 s TYR 97 CO 0.13 -0.63 0.13 0.42 -1.57 0.00 0.00 175.55 174.03 3bb2 s ILE 98 N 1.81 5.41 0.02 2.71 1.01 -0.54 -0.95 121.20 130.68 3bb2 s ILE 98 Ca -0.01 0.18 -0.32 0.00 0.00 0.00 0.00 60.65 60.50 3bb2 s ILE 98 Cb -0.17 -3.39 -0.11 0.00 0.01 0.00 0.00 42.46 38.80 3bb2 s ILE 98 CO -0.08 0.56 1.89 -0.24 0.00 0.00 0.00 174.94 177.06 3bb2 n SER 99 N 2.54 3.83 -0.08 3.58 2.88 -0.40 0.11 113.62 126.09 3bb2 n SER 99 Ca -0.19 0.96 -0.11 0.00 -1.33 0.00 0.00 58.87 58.21 3bb2 n SER 99 Cb 0.54 -1.47 -0.04 0.00 -0.75 0.00 0.00 64.21 62.49 3bb2 n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3bb2 h LYS 100 N 9.35 0.37 -0.74 -1.46 3.64 -1.49 0.18 116.57 126.42 3bb2 h LYS 100 Ca -0.48 -0.08 0.08 0.00 -1.27 0.00 0.00 60.65 58.90 3bb2 h LYS 100 Cb 1.25 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.97 3bb2 h LYS 100 CO 0.94 0.45 0.48 -0.22 -2.27 0.00 0.00 179.45 178.83 3bb2 h LYS 101 N 0.22 0.68 -0.41 1.90 3.64 -1.77 -2.39 116.57 118.45 3bb2 h LYS 101 Ca 0.08 -0.04 -0.20 0.00 -1.27 0.00 0.00 60.65 59.22 3bb2 h LYS 101 Cb 0.23 -0.15 -0.12 0.00 -0.41 0.00 0.00 32.23 31.78 3bb2 h LYS 101 CO -0.00 0.45 -0.01 0.72 -2.27 0.00 0.00 179.45 178.34 3bb2 n HIS 102 N -4.49 1.27 -0.20 1.91 8.25 -1.13 -4.73 115.22 116.09 3bb2 n HIS 102 Ca 0.12 -1.58 0.06 0.00 -0.26 0.00 0.00 57.72 56.06 3bb2 n HIS 102 Cb 0.28 -0.53 0.34 0.00 1.12 0.00 0.00 29.99 31.20 3bb2 n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bb2 h ALA 103 N 1.06 1.68 0.00 -1.41 0.00 -0.41 -0.71 119.26 119.47 3bb2 h ALA 103 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3bb2 h ALA 103 Cb 1.76 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.35 3bb2 h ALA 103 CO 0.45 0.20 0.00 -0.85 0.00 0.00 0.00 179.25 179.05 3bb2 n GLU 104 N -4.48 0.17 0.00 0.00 0.00 -1.26 -1.71 120.64 113.36 3bb2 n GLU 104 Ca 0.11 0.45 0.12 0.00 0.00 0.00 0.00 57.16 57.84 3bb2 n GLU 104 Cb 0.22 -1.85 0.22 0.00 0.00 0.00 0.00 31.44 30.03 3bb2 n GLU 104 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3bb2 n LYS 105 N -2.18 1.43 -3.80 3.44 5.02 -0.28 -4.98 118.16 116.81 3bb2 n LYS 105 Ca 0.02 -1.05 -0.24 0.00 -2.02 0.00 0.00 58.31 55.02 3bb2 n LYS 105 Cb 0.19 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 33.73 3bb2 n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3bb2 n ASN 106 N 0.13 -1.14 -4.63 4.39 4.13 -0.69 -4.96 115.26 112.48 3bb2 n ASN 106 Ca 0.13 -0.91 -0.39 0.00 1.68 0.00 0.00 54.58 55.09 3bb2 n ASN 106 Cb 0.44 -3.59 -0.08 0.00 -1.54 0.00 0.00 39.78 35.01 3bb2 n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 3bb2 s TRP 107 N -3.78 3.30 0.19 3.10 0.52 -1.25 -4.49 118.94 116.53 3bb2 s TRP 107 Ca 0.04 0.52 0.08 0.00 0.02 0.00 0.00 56.10 56.76 3bb2 s TRP 107 Cb -0.01 -2.58 -0.04 0.00 -1.15 0.00 0.00 33.47 29.69 3bb2 s TRP 107 CO 0.85 -0.15 -0.01 -0.06 0.02 0.00 0.00 176.95 177.59 3bb2 s PHE 108 N 1.81 2.80 0.13 -1.98 0.40 -1.26 -1.27 117.98 118.60 3bb2 s PHE 108 Ca 0.17 -0.16 -0.30 0.00 -0.60 0.00 0.00 56.93 56.04 3bb2 s PHE 108 Cb -0.15 -1.34 -0.07 0.00 0.51 0.00 0.00 43.02 41.96 3bb2 s PHE 108 CO 0.09 0.53 1.22 0.08 0.70 0.00 0.00 175.22 177.83 3bb2 s VAL 109 N -1.79 3.73 0.06 -0.44 1.01 -0.12 -4.54 120.40 118.31 3bb2 s VAL 109 Ca 0.27 1.34 -0.27 0.00 0.00 0.00 0.00 61.98 63.33 3bb2 s VAL 109 Cb -0.09 -3.86 0.07 0.00 0.00 0.00 0.00 36.38 32.51 3bb2 s VAL 109 CO 0.18 0.16 0.65 -0.83 0.00 0.00 0.00 175.10 175.26 3bb2 s GLY 110 N 0.60 -0.59 -0.04 4.51 0.00 -1.26 -4.45 107.32 106.08 3bb2 s GLY 110 Ca 0.56 0.90 0.04 0.00 0.00 0.00 0.00 44.72 46.22 3bb2 s GLY 110 CO 0.33 0.53 -0.16 1.08 0.00 0.00 0.00 173.10 174.89 3bb2 s LEU 111 N -2.02 1.89 0.83 0.66 1.43 -0.57 -0.64 118.68 120.24 3bb2 s LEU 111 Ca -0.04 -0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 52.61 3bb2 s LEU 111 Cb -0.01 -0.90 0.09 0.00 0.03 0.00 0.00 46.19 45.40 3bb2 s LEU 111 CO -0.02 0.13 1.11 -0.54 0.23 0.00 0.00 176.35 177.26 3bb2 s LYS 112 N 0.09 1.85 0.54 1.70 1.02 0.25 -4.47 119.74 120.72 3bb2 s LYS 112 Ca -0.04 0.54 0.21 0.00 0.02 0.00 0.00 55.97 56.70 3bb2 s LYS 112 Cb -0.11 -1.90 1.43 0.00 -0.52 0.00 0.00 37.83 36.72 3bb2 s LYS 112 CO 0.02 -1.76 2.15 0.87 -0.92 0.00 0.00 175.35 175.70 3bb2 h LYS 113 N -1.19 0.00 -0.05 1.68 1.57 -1.88 -0.44 116.57 116.27 3bb2 h LYS 113 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3bb2 h LYS 113 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 3bb2 h LYS 113 CO 0.60 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.75 3bb2 n ASN 114 N -4.32 0.52 0.00 0.86 6.94 -1.26 -4.63 115.26 113.37 3bb2 n ASN 114 Ca -0.01 -1.47 0.00 0.00 -0.02 0.00 0.00 54.58 53.08 3bb2 n ASN 114 Cb 0.17 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.56 3bb2 n ASN 114 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3bb2 n GLY 115 N 0.91 1.93 3.84 4.83 0.00 -0.17 -4.99 105.19 111.54 3bb2 n GLY 115 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3bb2 n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bb2 s SER 116 N -2.22 6.26 0.31 1.61 1.04 -1.26 -0.23 113.70 119.21 3bb2 s SER 116 Ca 0.00 1.59 -0.28 0.00 0.48 0.00 0.00 55.95 57.74 3bb2 s SER 116 Cb 0.00 -2.50 -0.09 0.00 0.10 0.00 0.00 66.02 63.52 3bb2 s SER 116 CO 0.00 -0.84 1.06 0.00 0.98 0.00 0.00 173.24 174.43 3bb2 s LYS 118 N -1.75 3.97 0.06 0.00 1.02 0.18 -4.79 119.74 118.44 3bb2 s LYS 118 Ca 0.48 0.94 -0.14 0.00 0.02 0.00 0.00 55.97 57.27 3bb2 s LYS 118 Cb -0.28 -2.16 -0.06 0.00 -0.52 0.00 0.00 37.83 34.81 3bb2 s LYS 118 CO 0.35 -0.23 0.47 1.03 -0.92 0.00 0.00 175.35 176.05 3bb2 s ARG 119 N -3.95 3.95 0.27 1.68 0.52 -1.26 -4.67 118.95 115.48 3bb2 s ARG 119 Ca 0.59 0.44 -0.03 0.00 -0.52 0.00 0.00 55.73 56.21 3bb2 s ARG 119 Cb -0.10 -3.11 0.58 0.00 0.52 0.00 0.00 34.95 32.84 3bb2 s ARG 119 CO 0.29 0.61 1.62 0.78 0.02 0.00 0.00 175.30 178.62 3bb2 h GLY 120 N 4.21 1.07 2.00 -3.53 0.00 -0.61 0.34 103.07 106.55 3bb2 h GLY 120 Ca -0.50 0.08 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3bb2 h GLY 120 CO 0.64 -0.36 0.00 -2.55 0.00 0.00 0.00 176.54 174.27 3bb2 h PRO 121 N 0.11 0.00 -0.67 4.80 0.11 -1.84 -1.68 132.00 132.83 3bb2 h PRO 121 Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 3bb2 h PRO 121 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3bb2 h PRO 121 CO -0.72 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 177.61 3bb2 n ARG 122 N -2.48 3.14 -4.14 1.05 5.12 0.10 -4.92 116.66 114.54 3bb2 n ARG 122 Ca 0.00 -2.72 -0.27 0.00 -1.93 0.00 0.00 57.85 52.93 3bb2 n ARG 122 Cb 0.15 -1.68 -0.07 0.00 -1.16 0.00 0.00 32.46 29.71 3bb2 n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3bb2 s THR 123 N -1.36 4.11 -0.01 0.55 -4.23 -0.63 -4.90 115.64 109.18 3bb2 s THR 123 Ca 0.48 -1.18 -0.29 0.00 -1.18 0.00 0.00 61.69 59.52 3bb2 s THR 123 Cb 0.28 -3.06 0.10 0.00 1.34 0.00 0.00 72.50 71.16 3bb2 s THR 123 CO 0.29 -0.06 0.89 -1.38 -0.54 0.00 0.00 174.62 173.82 3bb2 s HIS 124 N -1.65 -0.34 0.41 3.99 -3.43 -1.26 -4.82 115.29 108.18 3bb2 s HIS 124 Ca 0.29 0.21 -0.25 0.00 -0.80 0.00 0.00 55.06 54.51 3bb2 s HIS 124 Cb -0.10 0.54 -0.11 0.00 -1.43 0.00 0.00 32.58 31.48 3bb2 s HIS 124 CO 0.21 -0.54 1.07 0.66 -2.00 0.00 0.00 174.74 174.13 3bb2 n TYR 125 N -0.24 1.40 0.00 0.38 4.01 -1.26 -2.70 117.16 118.75 3bb2 n TYR 125 Ca -0.09 0.56 0.00 0.00 -0.16 0.00 0.00 57.90 58.21 3bb2 n TYR 125 Cb 0.62 -2.26 0.00 0.00 -0.31 0.00 0.00 39.34 37.38 3bb2 n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bb2 n GLY 126 N 1.10 1.07 3.87 2.72 0.00 -1.26 -5.08 105.19 107.61 3bb2 n GLY 126 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 3bb2 n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bb2 s GLN 127 N -0.91 3.69 0.15 1.61 -0.21 -1.10 -4.99 119.66 117.90 3bb2 s GLN 127 Ca 0.00 0.64 0.15 0.00 0.02 0.00 0.00 55.36 56.17 3bb2 s GLN 127 Cb 0.00 -2.20 -0.06 0.00 1.00 0.00 0.00 33.01 31.75 3bb2 s GLN 127 CO 0.00 -0.35 1.11 0.87 -2.12 0.00 0.00 175.29 174.80 3bb2 h LYS 128 N 0.29 0.00 -0.01 2.91 1.79 -1.97 -3.34 116.57 116.24 3bb2 h LYS 128 Ca -0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 3bb2 h LYS 128 Cb 1.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.84 3bb2 h LYS 128 CO 0.62 0.44 0.02 0.00 -1.08 0.00 0.00 179.45 179.44 3bb2 h ALA 129 N 1.41 1.56 -0.02 3.86 0.00 -1.95 -2.40 119.26 121.73 3bb2 h ALA 129 Ca -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3bb2 h ALA 129 Cb 1.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3bb2 h ALA 129 CO 0.06 -0.02 -0.11 0.44 0.00 0.00 0.00 179.25 179.62 3bb2 n ILE 130 N -3.87 0.00 -3.18 0.00 -5.35 -1.25 -1.52 119.36 104.19 3bb2 n ILE 130 Ca -0.03 -0.26 -0.41 0.00 -0.27 0.00 0.00 62.75 61.78 3bb2 n ILE 130 Cb 0.10 0.70 -0.07 0.00 -1.74 0.00 0.00 39.64 38.62 3bb2 n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3bb2 s LEU 131 N -2.17 4.25 0.23 7.28 1.43 -0.90 -4.40 118.68 124.40 3bb2 s LEU 131 Ca 0.31 0.17 0.11 0.00 -1.03 0.00 0.00 54.13 53.69 3bb2 s LEU 131 Cb 0.20 -2.69 -0.05 0.00 0.03 0.00 0.00 46.19 43.69 3bb2 s LEU 131 CO 0.40 -0.49 -0.19 -0.36 0.23 0.00 0.00 176.35 175.95 3bb2 s PHE 132 N 2.51 2.38 -0.08 0.29 0.40 0.05 -1.81 117.98 121.72 3bb2 s PHE 132 Ca 0.22 -0.32 0.01 0.00 -0.60 0.00 0.00 56.93 56.24 3bb2 s PHE 132 Cb -0.15 -1.11 0.02 0.00 0.51 0.00 0.00 43.02 42.29 3bb2 s PHE 132 CO 0.13 0.59 -0.09 -1.17 0.70 0.00 0.00 175.22 175.38 3bb2 s LEU 133 N -3.07 1.40 -0.28 -0.37 2.96 0.06 0.26 118.68 119.63 3bb2 s LEU 133 Ca 0.25 -0.26 -0.29 0.00 -0.22 0.00 0.00 54.13 53.62 3bb2 s LEU 133 Cb -0.07 -0.74 0.01 0.00 0.50 0.00 0.00 46.19 45.89 3bb2 s LEU 133 CO 0.13 -0.04 1.05 -2.16 -1.32 0.00 0.00 176.35 174.02 3bb2 s PRO 134 N 1.09 4.15 0.13 0.98 0.04 -1.26 -1.22 135.00 138.91 3bb2 s PRO 134 Ca -0.07 1.19 0.07 0.00 0.04 0.00 0.00 61.00 62.22 3bb2 s PRO 134 Cb -0.14 -3.69 -0.04 0.00 0.04 0.00 0.00 34.50 30.66 3bb2 s PRO 134 CO -0.01 -0.78 -0.04 -0.51 0.04 0.00 0.00 177.00 175.70 3bb2 s LEU 135 N 3.44 3.24 0.68 -3.56 1.43 0.44 -4.91 118.68 119.44 3bb2 s LEU 135 Ca 0.45 -0.35 -0.15 0.00 -1.03 0.00 0.00 54.13 53.04 3bb2 s LEU 135 Cb -0.13 -1.96 0.01 0.00 0.03 0.00 0.00 46.19 44.14 3bb2 s LEU 135 CO 0.11 0.14 1.15 -2.16 0.23 0.00 0.00 176.35 175.82 3bb2 s PRO 136 N -2.52 2.57 0.00 1.29 0.04 -1.26 -0.73 135.00 134.38 3bb2 s PRO 136 Ca 0.25 1.55 0.31 0.00 0.04 0.00 0.00 61.00 63.15 3bb2 s PRO 136 Cb -0.10 -1.91 1.71 0.00 0.04 0.00 0.00 34.50 34.23 3bb2 s PRO 136 CO 0.17 -1.46 2.11 1.33 0.04 0.00 0.00 177.00 179.19