#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 1.06 -2.65 -1.40 7.35 -1.26 -5.02 117.46 115.54 3bb2 n PHE 1 Ca 0.00 -1.63 -0.43 0.00 -0.76 0.00 0.00 57.45 54.64 3bb2 n PHE 1 Cb 0.00 -0.24 -0.02 0.00 0.35 0.00 0.00 39.48 39.57 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 -3.20 7.12 0.13 -2.13 0.01 -1.26 -5.03 114.94 110.59 3bb2 s ASN 2 Ca 0.36 1.43 0.04 0.00 -0.71 0.00 0.00 52.86 53.98 3bb2 s ASN 2 Cb 0.37 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.45 3bb2 s ASN 2 CO -0.06 -0.62 0.16 -0.76 -1.51 0.00 0.00 177.10 174.31 3bb2 s LEU 3 N 2.94 3.98 0.58 0.60 1.43 -1.26 -0.85 118.68 126.10 3bb2 s LEU 3 Ca 0.46 0.00 -0.07 0.00 -1.03 0.00 0.00 54.13 53.49 3bb2 s LEU 3 Cb -0.16 -2.59 -0.01 0.00 0.03 0.00 0.00 46.19 43.46 3bb2 s LEU 3 CO 0.09 0.10 0.91 -2.16 0.23 0.00 0.00 176.35 175.52 3bb2 s PRO 4 N -2.93 3.14 0.00 1.29 0.04 -1.26 -4.55 135.00 130.72 3bb2 s PRO 4 Ca 0.32 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.55 3bb2 s PRO 4 Cb -0.11 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.19 3bb2 s PRO 4 CO 0.25 -0.61 0.00 -0.35 0.04 0.00 0.00 177.00 176.33 3bb2 n PRO 5 N -2.58 2.13 -0.71 0.56 -0.04 -1.26 -4.97 135.00 128.14 3bb2 n PRO 5 Ca 0.04 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.58 3bb2 n PRO 5 Cb 0.57 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.98 3bb2 n PRO 5 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3bb2 n GLY 6 N 5.00 -3.01 0.00 0.55 0.00 -1.26 -5.04 105.19 101.43 3bb2 n GLY 6 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.77 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 -3.13 0.47 -0.71 1.61 0.23 -1.26 -5.06 115.26 107.41 3bb2 n ASN 7 Ca -0.05 -0.82 0.06 0.00 -0.53 0.00 0.00 54.58 53.25 3bb2 n ASN 7 Cb 0.34 0.00 0.19 0.00 -2.08 0.00 0.00 39.78 38.22 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 -0.14 -2.53 4.01 -1.26 -4.71 117.16 113.14 3bb2 n TYR 8 Ca 0.00 -0.63 0.00 0.00 -0.16 0.00 0.00 57.90 57.11 3bb2 n TYR 8 Cb 0.00 -0.13 0.28 0.00 -0.31 0.00 0.00 39.34 39.18 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 1.88 0.83 -5.68 -0.72 1.57 -1.97 -3.45 116.57 109.02 3bb2 h LYS 9 Ca 0.00 -0.08 -0.48 0.00 -1.87 0.00 0.00 60.65 58.22 3bb2 h LYS 9 Cb 0.97 -0.17 -0.15 0.00 0.08 0.00 0.00 32.23 32.96 3bb2 h LYS 9 CO 0.08 0.60 -0.75 0.15 -0.57 0.00 0.00 179.45 178.97 3bb2 s LYS 10 N -5.58 1.34 0.82 3.15 -0.14 -1.26 -5.14 119.74 112.94 3bb2 s LYS 10 Ca -0.10 -1.56 -0.11 0.00 -1.36 0.00 0.00 55.97 52.84 3bb2 s LYS 10 Cb 0.17 -1.21 0.09 0.00 -1.68 0.00 0.00 37.83 35.20 3bb2 s LYS 10 CO 0.77 0.21 1.09 -1.25 -0.76 0.00 0.00 175.35 175.42 3bb2 s PRO 11 N -3.45 1.85 0.12 -1.68 0.04 -1.26 -4.74 135.00 125.87 3bb2 s PRO 11 Ca 0.22 0.96 -0.01 0.00 0.04 0.00 0.00 61.00 62.20 3bb2 s PRO 11 Cb -0.02 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 3bb2 s PRO 11 CO 0.07 -1.87 0.04 0.15 0.04 0.00 0.00 177.00 175.43 3bb2 s LYS 12 N -4.95 0.88 -0.13 4.56 -0.14 0.13 -4.11 119.74 115.99 3bb2 s LYS 12 Ca 0.62 -1.41 -0.06 0.00 -1.36 0.00 0.00 55.97 53.76 3bb2 s LYS 12 Cb -0.17 0.20 -0.04 0.00 -1.68 0.00 0.00 37.83 36.14 3bb2 s LYS 12 CO 0.56 -0.22 0.09 -0.51 -0.76 0.00 0.00 175.35 174.51 3bb2 s LEU 13 N -3.03 4.08 -0.51 3.17 1.43 0.39 -0.81 118.68 123.40 3bb2 s LEU 13 Ca 0.21 0.30 -0.15 0.00 -1.03 0.00 0.00 54.13 53.46 3bb2 s LEU 13 Cb 0.07 -1.99 0.11 0.00 0.03 0.00 0.00 46.19 44.41 3bb2 s LEU 13 CO -0.00 0.34 0.46 -0.76 0.23 0.00 0.00 176.35 176.61 3bb2 s LEU 14 N -0.62 5.98 -0.17 1.79 1.43 -1.26 -0.45 118.68 125.38 3bb2 s LEU 14 Ca 0.12 -1.67 -0.17 0.00 -1.03 0.00 0.00 54.13 51.39 3bb2 s LEU 14 Cb -0.12 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 3bb2 s LEU 14 CO 0.02 -0.78 0.43 -0.47 0.23 0.00 0.00 176.35 175.78 3bb2 s TYR 15 N 1.59 3.44 -0.29 0.29 5.04 -0.57 -1.47 117.35 125.38 3bb2 s TYR 15 Ca 0.03 0.74 -0.10 0.00 -2.44 0.00 0.00 57.07 55.30 3bb2 s TYR 15 Cb -0.28 -2.53 -0.03 0.00 0.35 0.00 0.00 41.96 39.47 3bb2 s TYR 15 CO 0.04 0.08 0.17 0.00 -1.34 0.00 0.00 175.55 174.49 3bb2 h SER 17 N 8.36 0.00 -0.06 0.00 0.02 -1.85 0.98 113.55 121.00 3bb2 h SER 17 Ca -0.35 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.64 3bb2 h SER 17 Cb 1.17 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.66 3bb2 h SER 17 CO 0.58 0.00 -0.35 -1.13 -1.14 0.00 0.00 176.83 174.79 3bb2 h ASN 18 N 0.00 -1.06 -0.00 3.07 -1.24 -1.82 -3.23 115.58 111.31 3bb2 h ASN 18 Ca 0.00 0.14 0.00 0.00 0.71 0.00 0.00 56.30 57.15 3bb2 h ASN 18 Cb 0.44 0.43 0.00 0.00 0.73 0.00 0.00 38.32 39.93 3bb2 h ASN 18 CO 0.00 -0.39 -0.00 0.61 -1.29 0.00 0.00 177.43 176.36 3bb2 n GLY 19 N -1.42 -1.35 1.97 1.57 0.00 -1.23 -4.78 105.19 99.95 3bb2 n GLY 19 Ca -0.04 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 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 0.07 0.60 3.68 -0.02 0.00 0.31 -5.01 105.19 104.83 3bb2 n GLY 20 Ca 0.00 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.07 2.95 -0.05 1.61 3.76 -1.01 -4.60 115.29 114.88 3bb2 s HIS 21 Ca 0.13 -0.06 -0.12 0.00 -0.15 0.00 0.00 55.06 54.86 3bb2 s HIS 21 Cb -0.06 -1.49 -0.05 0.00 1.11 0.00 0.00 32.58 32.09 3bb2 s HIS 21 CO 0.17 0.49 0.32 -0.06 -0.85 0.00 0.00 174.74 174.80 3bb2 s PHE 22 N -1.44 3.67 0.20 1.40 0.08 0.40 -0.42 117.98 121.87 3bb2 s PHE 22 Ca 0.26 0.82 -0.31 0.00 0.12 0.00 0.00 56.93 57.83 3bb2 s PHE 22 Cb -0.11 -2.19 -0.09 0.00 -0.57 0.00 0.00 43.02 40.06 3bb2 s PHE 22 CO 0.19 0.63 1.44 -1.17 -0.10 0.00 0.00 175.22 176.21 3bb2 s LEU 23 N -0.91 4.38 -0.05 -0.37 2.96 -0.54 -1.33 118.68 122.82 3bb2 s LEU 23 Ca 0.20 2.55 0.03 0.00 -0.22 0.00 0.00 54.13 56.69 3bb2 s LEU 23 Cb -0.15 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 42.94 3bb2 s LEU 23 CO 0.10 -0.69 -0.11 -0.60 -1.32 0.00 0.00 176.35 173.72 3bb2 s ARG 24 N 0.29 1.36 -0.32 1.98 3.52 0.75 -4.44 118.95 122.10 3bb2 s ARG 24 Ca 0.62 -0.37 -0.03 0.00 -0.13 0.00 0.00 55.73 55.82 3bb2 s ARG 24 Cb -0.41 -1.19 0.05 0.00 -1.56 0.00 0.00 34.95 31.84 3bb2 s ARG 24 CO 0.37 0.08 0.04 0.42 -0.81 0.00 0.00 175.30 175.40 3bb2 s ILE 25 N 0.43 3.18 0.55 4.11 1.01 -0.82 -1.98 121.20 127.68 3bb2 s ILE 25 Ca -0.09 -1.38 -0.19 0.00 0.00 0.00 0.00 60.65 59.00 3bb2 s ILE 25 Cb -0.13 -2.85 -0.05 0.00 0.01 0.00 0.00 42.46 39.44 3bb2 s ILE 25 CO 0.02 -0.16 1.11 -0.62 0.00 0.00 0.00 174.94 175.29 3bb2 s ASP 26 N 1.32 5.74 0.60 3.58 2.15 -0.26 -4.82 116.67 124.99 3bb2 s ASP 26 Ca -0.03 2.11 0.30 0.00 0.43 0.00 0.00 52.55 55.35 3bb2 s ASP 26 Cb -0.20 -2.57 1.71 0.00 -0.30 0.00 0.00 42.92 41.56 3bb2 s ASP 26 CO -0.00 -1.20 2.10 -0.65 -0.17 0.00 0.00 175.17 175.24 3bb2 h PRO 27 N 1.08 0.00 -0.08 4.34 0.11 -1.98 -0.07 132.00 135.40 3bb2 h PRO 27 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3bb2 h PRO 27 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3bb2 h PRO 27 CO 0.57 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.63 3bb2 n ASN 28 N -3.65 0.74 0.00 -2.05 0.23 -1.26 -4.90 115.26 104.36 3bb2 n ASN 28 Ca 0.01 -1.61 0.00 0.00 -0.53 0.00 0.00 54.58 52.45 3bb2 n ASN 28 Cb 0.32 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 37.97 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 0.91 0.77 3.81 4.83 0.00 -0.04 -4.98 105.19 110.49 3bb2 n GLY 29 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 3bb2 n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3bb2 s THR 30 N -2.29 4.20 -0.01 2.61 -4.23 -1.26 -0.68 115.64 113.99 3bb2 s THR 30 Ca 0.00 1.47 0.06 0.00 -1.18 0.00 0.00 61.69 62.04 3bb2 s THR 30 Cb 0.00 -3.65 -0.02 0.00 1.34 0.00 0.00 72.50 70.17 3bb2 s THR 30 CO 0.00 -0.20 -0.20 -0.69 -0.54 0.00 0.00 174.62 172.99 3bb2 s VAL 31 N -2.01 1.59 0.00 2.29 1.01 -1.26 -1.10 120.40 120.92 3bb2 s VAL 31 Ca 0.61 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.69 3bb2 s VAL 31 Cb -0.13 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 34.93 3bb2 s VAL 31 CO 0.17 0.41 0.00 -0.90 0.00 0.00 0.00 175.10 174.79 3bb2 n ASP 32 N 2.49 0.00 -4.39 3.32 5.75 -0.84 -4.54 116.55 118.35 3bb2 n ASP 32 Ca -0.15 -0.66 -0.25 0.00 -0.01 0.00 0.00 54.79 53.71 3bb2 n ASP 32 Cb 0.53 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.51 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 -0.97 1.60 0.02 6.12 0.00 0.77 -0.17 107.32 114.68 3bb2 s GLY 33 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 44.72 43.13 3bb2 s GLY 33 CO 0.00 -1.63 -0.03 -1.08 0.00 0.00 0.00 173.10 170.36 3bb2 s THR 34 N -1.84 0.11 -2.33 0.90 -1.32 -0.44 -4.82 115.64 105.90 3bb2 s THR 34 Ca 0.19 -0.91 0.26 0.00 -1.21 0.00 0.00 61.69 60.02 3bb2 s THR 34 Cb -0.07 -0.26 0.29 0.00 -1.51 0.00 0.00 72.50 70.95 3bb2 s THR 34 CO 0.09 -0.50 1.47 0.54 -2.21 0.00 0.00 174.62 174.01 3bb2 n ARG 35 N 1.60 1.51 -2.66 7.08 1.74 -1.26 -0.45 116.66 124.23 3bb2 n ARG 35 Ca -0.24 -1.06 -0.42 0.00 -0.77 0.00 0.00 57.85 55.36 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 -2.22 6.31 0.29 0.55 2.15 -1.26 -4.85 116.67 117.64 3bb2 s ASP 36 Ca 0.29 -0.27 0.23 0.00 0.43 0.00 0.00 52.55 53.23 3bb2 s ASP 36 Cb 0.20 -2.51 1.06 0.00 -0.30 0.00 0.00 42.92 41.36 3bb2 s ASP 36 CO 0.42 -1.52 1.70 -1.14 -0.17 0.00 0.00 175.17 174.46 3bb2 n ARG 37 N 8.41 0.18 0.00 4.34 0.00 -1.26 -1.71 116.66 126.63 3bb2 n ARG 37 Ca 0.04 0.50 0.14 0.00 -0.00 0.00 0.00 57.85 58.53 3bb2 n ARG 37 Cb 0.48 -1.91 0.56 0.00 0.00 0.00 0.00 32.46 31.59 3bb2 n ARG 37 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3bb2 n SER 38 N -2.27 0.48 -4.77 6.15 3.41 -1.26 -4.90 113.62 110.47 3bb2 n SER 38 Ca 0.01 -0.49 -0.40 0.00 -0.26 0.00 0.00 58.87 57.73 3bb2 n SER 38 Cb 0.17 -0.06 0.02 0.00 -0.26 0.00 0.00 64.21 64.07 3bb2 n SER 38 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3bb2 s ASP 39 N -2.56 5.90 0.00 4.04 -1.08 -0.69 -4.90 116.67 117.38 3bb2 s ASP 39 Ca 0.26 2.89 0.19 0.00 -0.52 0.00 0.00 52.55 55.38 3bb2 s ASP 39 Cb 0.20 -2.65 0.53 0.00 -1.46 0.00 0.00 42.92 39.54 3bb2 s ASP 39 CO 0.50 -1.16 1.44 0.00 0.52 0.00 0.00 175.17 176.47 3bb2 n GLN 40 N -0.19 2.15 -0.20 4.34 1.13 -1.26 -4.06 117.38 119.30 3bb2 n GLN 40 Ca 0.05 -1.76 0.09 0.00 -1.94 0.00 0.00 57.00 53.44 3bb2 n GLN 40 Cb 0.42 -1.43 0.17 0.00 0.11 0.00 0.00 30.24 29.51 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 0.95 0.33 0.62 1.08 8.25 -1.26 -4.53 115.22 120.66 3bb2 n HIS 41 Ca 0.18 -0.92 0.07 0.00 -0.26 0.00 0.00 57.72 56.79 3bb2 n HIS 41 Cb 0.45 -0.20 -0.02 0.00 1.12 0.00 0.00 29.99 31.35 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 -1.01 0.00 -2.61 1.59 -5.35 -1.26 -1.94 119.36 108.78 3bb2 n ILE 42 Ca 0.17 -0.32 -0.43 0.00 -0.27 0.00 0.00 62.75 61.90 3bb2 n ILE 42 Cb 0.70 1.13 -0.02 0.00 -1.74 0.00 0.00 39.64 39.70 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 -1.83 4.23 0.07 6.28 1.11 -1.26 -4.44 119.66 123.82 3bb2 s GLN 43 Ca 0.10 1.39 0.08 0.00 0.01 0.00 0.00 55.36 56.94 3bb2 s GLN 43 Cb 0.11 -3.68 -0.03 0.00 -1.01 0.00 0.00 33.01 28.40 3bb2 s GLN 43 CO 0.39 -0.68 -0.22 -0.51 0.01 0.00 0.00 175.29 174.28 3bb2 s LEU 44 N 3.32 2.22 -0.21 2.90 1.43 0.01 -1.67 118.68 126.67 3bb2 s LEU 44 Ca 0.46 -0.60 -0.03 0.00 -1.03 0.00 0.00 54.13 52.93 3bb2 s LEU 44 Cb -0.16 -1.02 -0.00 0.00 0.03 0.00 0.00 46.19 45.04 3bb2 s LEU 44 CO 0.09 0.15 -0.07 -1.58 0.23 0.00 0.00 176.35 175.17 3bb2 s GLN 45 N -1.49 3.32 0.08 1.70 2.00 0.77 0.23 119.66 126.26 3bb2 s GLN 45 Ca 0.08 -0.66 -0.00 0.00 -2.00 0.00 0.00 55.36 52.78 3bb2 s GLN 45 Cb -0.09 -2.94 -0.04 0.00 0.80 0.00 0.00 33.01 30.74 3bb2 s GLN 45 CO 0.03 -0.20 0.24 -0.51 -0.50 0.00 0.00 175.29 174.35 3bb2 s LEU 46 N 1.44 4.35 -0.01 3.68 1.02 -1.26 -1.08 118.68 126.82 3bb2 s LEU 46 Ca 0.06 0.30 -0.07 0.00 0.02 0.00 0.00 54.13 54.44 3bb2 s LEU 46 Cb -0.14 -3.00 0.00 0.00 0.02 0.00 0.00 46.19 43.07 3bb2 s LEU 46 CO -0.05 0.15 0.13 -0.94 0.02 0.00 0.00 176.35 175.66 3bb2 s SER 47 N -2.55 0.01 -0.17 2.29 1.04 -0.83 -4.78 113.70 108.70 3bb2 s SER 47 Ca 0.36 -0.15 -0.15 0.00 0.48 0.00 0.00 55.95 56.49 3bb2 s SER 47 Cb -0.13 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.16 3bb2 s SER 47 CO 0.28 -0.32 0.34 0.00 0.98 0.00 0.00 173.24 174.52 3bb2 s ALA 48 N -1.17 3.56 -0.14 5.32 0.00 -1.26 -1.46 121.76 126.61 3bb2 s ALA 48 Ca -0.13 -0.47 -0.11 0.00 0.00 0.00 0.00 51.96 51.25 3bb2 s ALA 48 Cb -0.07 -2.50 -0.24 0.00 0.00 0.00 0.00 23.12 20.31 3bb2 s ALA 48 CO 0.01 -0.07 0.33 -1.91 0.00 0.00 0.00 175.76 174.12 3bb2 n GLU 49 N 3.94 0.71 -4.15 0.00 4.07 0.13 -4.97 120.64 120.37 3bb2 n GLU 49 Ca -0.10 0.35 -0.11 0.00 -0.06 0.00 0.00 57.16 57.25 3bb2 n GLU 49 Cb 0.52 -1.72 -0.10 0.00 -0.06 0.00 0.00 31.44 30.08 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 -7.00 0.21 0.15 4.31 0.01 -1.22 -5.02 113.70 105.14 3bb2 s SER 50 Ca -0.24 -1.24 -0.31 0.00 1.31 0.00 0.00 55.95 55.47 3bb2 s SER 50 Cb 0.06 0.35 -0.11 0.00 0.21 0.00 0.00 66.02 66.54 3bb2 s SER 50 CO 0.72 -0.80 1.72 -0.69 0.41 0.00 0.00 173.24 174.60 3bb2 s VAL 51 N -4.08 2.45 0.00 3.43 1.01 -1.26 -1.20 120.40 120.75 3bb2 s VAL 51 Ca 0.29 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.44 3bb2 s VAL 51 Cb 0.07 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.34 3bb2 s VAL 51 CO 0.06 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.77 3bb2 n GLY 52 N 4.03 0.86 3.18 4.51 0.00 -1.26 -5.01 105.19 111.50 3bb2 n GLY 52 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.03 3.05 0.15 1.61 2.02 -0.34 -1.33 118.70 123.84 3bb2 s GLU 53 Ca 0.00 -0.83 0.06 0.00 0.02 0.00 0.00 54.97 54.22 3bb2 s GLU 53 Cb 0.00 -2.48 -0.04 0.00 0.10 0.00 0.00 34.13 31.70 3bb2 s GLU 53 CO 0.00 -0.03 -0.13 0.14 0.02 0.00 0.00 175.26 175.26 3bb2 s VAL 54 N 0.86 1.39 0.08 2.63 -7.23 0.79 -0.69 120.40 118.22 3bb2 s VAL 54 Ca -0.06 -1.94 0.01 0.00 -1.81 0.00 0.00 61.98 58.18 3bb2 s VAL 54 Cb -0.15 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 34.99 3bb2 s VAL 54 CO -0.03 -0.56 0.17 -0.31 -0.31 0.00 0.00 175.10 174.07 3bb2 s TYR 55 N -2.70 3.40 -0.18 2.82 2.02 -0.53 -1.32 117.35 120.85 3bb2 s TYR 55 Ca 0.15 0.17 0.00 0.00 -0.37 0.00 0.00 57.07 57.02 3bb2 s TYR 55 Cb -0.02 -1.70 0.04 0.00 -0.40 0.00 0.00 41.96 39.89 3bb2 s TYR 55 CO 0.03 0.56 -0.07 0.42 -1.57 0.00 0.00 175.55 174.92 3bb2 s ILE 56 N -1.51 1.33 -0.02 2.71 1.01 -1.26 -1.97 121.20 121.49 3bb2 s ILE 56 Ca 0.33 -0.82 0.07 0.00 0.00 0.00 0.00 60.65 60.23 3bb2 s ILE 56 Cb -0.12 -1.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 3bb2 s ILE 56 CO 0.26 0.12 -0.22 -0.54 0.00 0.00 0.00 174.94 174.56 3bb2 s LYS 57 N 1.53 1.79 0.04 2.79 1.02 -0.24 -0.39 119.74 126.29 3bb2 s LYS 57 Ca -0.01 -0.78 -0.30 0.00 0.02 0.00 0.00 55.97 54.90 3bb2 s LYS 57 Cb -0.16 -1.72 -0.06 0.00 -0.52 0.00 0.00 37.83 35.37 3bb2 s LYS 57 CO -0.08 0.46 1.27 0.45 -0.92 0.00 0.00 175.35 176.54 3bb2 s SER 58 N -0.49 6.98 0.37 2.83 0.15 0.55 -0.16 113.70 123.93 3bb2 s SER 58 Ca 0.08 2.06 0.20 0.00 0.70 0.00 0.00 55.95 58.99 3bb2 s SER 58 Cb -0.09 -2.57 0.41 0.00 -1.71 0.00 0.00 66.02 62.06 3bb2 s SER 58 CO -0.01 -0.57 1.61 0.71 1.20 0.00 0.00 173.24 176.18 3bb2 h THR 59 N 4.63 0.57 0.04 6.45 1.35 -1.66 0.10 112.91 124.39 3bb2 h THR 59 Ca -0.40 -1.60 -0.25 0.00 -0.55 0.00 0.00 66.41 63.61 3bb2 h THR 59 Cb 1.20 2.12 0.01 0.00 -1.73 0.00 0.00 68.15 69.75 3bb2 h THR 59 CO 0.85 0.30 -1.05 -0.08 -0.25 0.00 0.00 175.52 175.29 3bb2 h GLU 60 N 0.00 0.46 0.00 4.72 4.57 -1.81 -3.38 114.58 119.14 3bb2 h GLU 60 Ca -0.00 -0.55 0.00 0.00 -1.18 0.00 0.00 59.36 57.63 3bb2 h GLU 60 Cb 1.09 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 3bb2 h GLU 60 CO 0.04 1.20 -0.32 0.25 -1.18 0.00 0.00 179.01 179.00 3bb2 n THR 61 N -3.74 0.00 -0.75 0.32 -2.24 -1.23 -5.01 114.28 101.64 3bb2 n THR 61 Ca -0.09 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 3bb2 n THR 61 Cb 0.89 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.99 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 1.38 1.31 3.78 3.38 0.00 0.36 -5.01 105.19 110.38 3bb2 n GLY 62 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.08 3.65 -0.13 1.61 -0.21 -1.25 -4.68 119.66 118.57 3bb2 s GLN 63 Ca 0.00 1.64 -0.10 0.00 0.02 0.00 0.00 55.36 56.92 3bb2 s GLN 63 Cb 0.00 -2.23 -0.05 0.00 1.00 0.00 0.00 33.01 31.73 3bb2 s GLN 63 CO 0.00 -0.61 0.20 0.71 -2.12 0.00 0.00 175.29 173.47 3bb2 s TYR 64 N -1.70 3.54 0.29 0.91 1.51 0.22 -0.33 117.35 121.79 3bb2 s TYR 64 Ca 0.67 0.55 -0.29 0.00 -1.01 0.00 0.00 57.07 56.99 3bb2 s TYR 64 Cb -0.25 -2.12 -0.10 0.00 -0.11 0.00 0.00 41.96 39.38 3bb2 s TYR 64 CO 0.29 0.51 1.36 -1.17 -1.11 0.00 0.00 175.55 175.43 3bb2 s LEU 65 N -0.39 4.41 0.04 -1.29 2.96 0.48 -0.16 118.68 124.73 3bb2 s LEU 65 Ca 0.15 2.66 -0.11 0.00 -0.22 0.00 0.00 54.13 56.61 3bb2 s LEU 65 Cb -0.13 -3.64 0.01 0.00 0.50 0.00 0.00 46.19 42.94 3bb2 s LEU 65 CO 0.04 -0.60 0.22 0.00 -1.32 0.00 0.00 176.35 174.69 3bb2 s ALA 66 N -0.60 -0.45 -0.14 5.97 0.00 -0.31 -4.38 121.76 121.86 3bb2 s ALA 66 Ca 0.54 -0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.33 3bb2 s ALA 66 Cb -0.40 0.28 0.01 0.00 0.00 0.00 0.00 23.12 23.01 3bb2 s ALA 66 CO 0.48 -0.37 -0.22 1.41 0.00 0.00 0.00 175.76 177.06 3bb2 s MET 67 N -2.51 3.02 1.00 0.00 1.75 -0.51 -0.83 119.30 121.22 3bb2 s MET 67 Ca -0.05 -0.85 -0.17 0.00 -1.25 0.00 0.00 55.69 53.36 3bb2 s MET 67 Cb -0.01 -2.43 0.22 0.00 2.84 0.00 0.00 34.83 35.44 3bb2 s MET 67 CO -0.03 -0.01 1.30 0.16 -0.65 0.00 0.00 175.02 175.78 3bb2 s ASP 68 N 0.80 2.73 0.61 1.11 1.47 -0.01 -4.76 116.67 118.63 3bb2 s ASP 68 Ca -0.07 0.30 0.38 0.00 1.18 0.00 0.00 52.55 54.33 3bb2 s ASP 68 Cb -0.16 -0.35 1.98 0.00 -0.34 0.00 0.00 42.92 44.05 3bb2 s ASP 68 CO -0.02 -2.98 2.23 0.00 0.68 0.00 0.00 175.17 175.09 3bb2 h THR 69 N -1.81 0.18 -0.56 2.11 1.03 -2.01 -0.50 112.91 111.36 3bb2 h THR 69 Ca -0.44 -0.19 0.00 0.00 -0.01 0.00 0.00 66.41 65.76 3bb2 h THR 69 Cb 1.24 1.16 0.00 0.00 -1.07 0.00 0.00 68.15 69.48 3bb2 h THR 69 CO 0.36 0.02 0.00 0.47 -0.01 0.00 0.00 175.52 176.36 3bb2 n ASP 70 N -3.29 4.61 0.00 0.00 8.00 -1.26 -4.96 116.55 119.65 3bb2 n ASP 70 Ca -0.02 -2.55 0.00 0.00 0.71 0.00 0.00 54.79 52.93 3bb2 n ASP 70 Cb 0.15 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 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 0.78 0.71 3.80 0.44 0.00 -0.20 -4.62 105.19 106.10 3bb2 n GLY 71 Ca 0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 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 4.37 0.33 0.99 1.43 -1.26 -0.54 118.68 124.00 3bb2 s LEU 72 Ca 0.00 0.71 -0.27 0.00 -1.03 0.00 0.00 54.13 53.54 3bb2 s LEU 72 Cb 0.00 -2.42 -0.09 0.00 0.03 0.00 0.00 46.19 43.71 3bb2 s LEU 72 CO 0.00 0.25 1.07 -0.76 0.23 0.00 0.00 176.35 177.14 3bb2 s LEU 73 N -0.45 4.38 0.17 1.79 1.43 -1.26 -0.82 118.68 123.91 3bb2 s LEU 73 Ca 0.20 2.15 -0.13 0.00 -1.03 0.00 0.00 54.13 55.32 3bb2 s LEU 73 Cb -0.14 -3.87 0.01 0.00 0.03 0.00 0.00 46.19 42.22 3bb2 s LEU 73 CO 0.08 -0.28 0.40 -0.72 0.23 0.00 0.00 176.35 176.06 3bb2 s TYR 74 N -1.38 0.11 -0.20 0.29 1.13 -0.01 -4.45 117.35 112.85 3bb2 s TYR 74 Ca 0.50 -0.46 -0.12 0.00 -1.41 0.00 0.00 57.07 55.58 3bb2 s TYR 74 Cb -0.27 0.17 -0.05 0.00 -1.10 0.00 0.00 41.96 40.71 3bb2 s TYR 74 CO 0.35 -0.80 0.22 0.20 -2.51 0.00 0.00 175.55 173.01 3bb2 s GLY 75 N -2.91 2.08 -0.09 5.49 0.00 0.15 -1.16 107.32 110.88 3bb2 s GLY 75 Ca 0.12 -0.65 -0.02 0.00 0.00 0.00 0.00 44.72 44.17 3bb2 s GLY 75 CO -0.03 0.38 0.00 -0.45 0.00 0.00 0.00 173.10 173.00 3bb2 s SER 76 N 0.66 5.22 0.37 1.64 0.15 0.77 -4.71 113.70 117.79 3bb2 s SER 76 Ca 0.12 0.13 0.19 0.00 0.70 0.00 0.00 55.95 57.09 3bb2 s SER 76 Cb -0.13 -1.50 0.56 0.00 -1.71 0.00 0.00 66.02 63.24 3bb2 s SER 76 CO 0.03 0.36 1.67 1.56 1.20 0.00 0.00 173.24 178.06 3bb2 h GLN 77 N 5.28 0.00 -5.33 5.44 1.08 -1.91 0.65 115.11 120.32 3bb2 h GLN 77 Ca -0.49 0.00 -0.40 0.00 -1.45 0.00 0.00 58.65 56.31 3bb2 h GLN 77 Cb 1.19 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 28.43 3bb2 h GLN 77 CO 0.55 0.37 -0.76 0.95 -0.95 0.00 0.00 178.83 178.99 3bb2 s THR 78 N -3.42 1.22 0.16 -0.54 -4.23 -1.26 -4.82 115.64 102.74 3bb2 s THR 78 Ca 0.01 -1.61 -0.30 0.00 -1.18 0.00 0.00 61.69 58.61 3bb2 s THR 78 Cb 0.10 -1.40 -0.07 0.00 1.34 0.00 0.00 72.50 72.46 3bb2 s THR 78 CO 0.69 -0.40 1.07 -2.16 -0.54 0.00 0.00 174.62 173.29 3bb2 s PRO 79 N -2.48 4.61 0.29 3.99 0.04 -1.26 -4.87 135.00 135.32 3bb2 s PRO 79 Ca 0.06 1.66 0.02 0.00 0.04 0.00 0.00 61.00 62.77 3bb2 s PRO 79 Cb -0.06 -3.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.17 3bb2 s PRO 79 CO 0.02 0.09 0.35 0.27 0.04 0.00 0.00 177.00 177.77 3bb2 n ASN 80 N 2.56 -0.94 0.30 6.66 0.23 -1.26 -5.03 115.26 117.77 3bb2 n ASN 80 Ca 0.03 -2.71 0.17 0.00 -0.53 0.00 0.00 54.58 51.54 3bb2 n ASN 80 Cb 0.47 1.88 0.95 0.00 -2.08 0.00 0.00 39.78 40.99 3bb2 n ASN 80 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3bb2 h GLU 81 N 0.00 0.00 0.00 -3.83 5.08 -1.99 -1.21 114.58 112.63 3bb2 h GLU 81 Ca -0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 3bb2 h GLU 81 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 3bb2 h GLU 81 CO 0.30 0.03 0.00 0.39 -1.00 0.00 0.00 179.01 178.74 3bb2 n GLU 82 N -3.49 0.55 0.00 2.33 1.02 -1.26 -3.57 120.64 116.21 3bb2 n GLU 82 Ca -0.02 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.23 3bb2 n GLU 82 Cb 0.14 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.11 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 -2.47 4.31 0.01 0.00 1.43 -1.23 -4.47 118.68 116.26 3bb2 s LEU 84 Ca 0.19 0.89 0.06 0.00 -1.03 0.00 0.00 54.13 54.24 3bb2 s LEU 84 Cb 0.18 -2.74 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 3bb2 s LEU 84 CO 0.56 0.03 -0.20 -0.36 0.23 0.00 0.00 176.35 176.61 3bb2 s PHE 85 N 0.43 1.73 -0.45 0.29 0.08 -0.44 -1.40 117.98 118.23 3bb2 s PHE 85 Ca 0.27 -0.35 -0.24 0.00 0.12 0.00 0.00 56.93 56.74 3bb2 s PHE 85 Cb -0.16 -1.08 0.03 0.00 -0.57 0.00 0.00 43.02 41.24 3bb2 s PHE 85 CO 0.12 0.03 0.82 -0.51 -0.10 0.00 0.00 175.22 175.57 3bb2 s LEU 86 N -0.80 4.20 -0.24 -0.37 1.43 0.81 -0.15 118.68 123.57 3bb2 s LEU 86 Ca 0.07 -0.06 -0.22 0.00 -1.03 0.00 0.00 54.13 52.88 3bb2 s LEU 86 Cb -0.08 -3.01 -0.01 0.00 0.03 0.00 0.00 46.19 43.11 3bb2 s LEU 86 CO 0.00 -0.95 0.71 -0.70 0.23 0.00 0.00 176.35 175.65 3bb2 s GLU 87 N 3.40 4.16 0.09 1.70 2.12 -0.44 -1.42 118.70 128.31 3bb2 s GLU 87 Ca 0.31 0.73 0.02 0.00 0.36 0.00 0.00 54.97 56.39 3bb2 s GLU 87 Cb -0.12 -3.63 -0.04 0.00 0.26 0.00 0.00 34.13 30.60 3bb2 s GLU 87 CO 0.24 -0.42 -0.07 1.03 -0.54 0.00 0.00 175.26 175.49 3bb2 s ARG 88 N 2.51 0.79 0.38 4.30 1.81 -0.26 -4.70 118.95 123.77 3bb2 s ARG 88 Ca 0.30 -1.21 -0.24 0.00 -1.72 0.00 0.00 55.73 52.87 3bb2 s ARG 88 Cb -0.16 -0.29 -0.10 0.00 -0.45 0.00 0.00 34.95 33.95 3bb2 s ARG 88 CO 0.09 0.01 0.95 -1.17 -0.68 0.00 0.00 175.30 174.50 3bb2 s LEU 89 N -2.69 4.14 -0.02 2.53 2.96 -0.03 -0.87 118.68 124.70 3bb2 s LEU 89 Ca 0.07 1.77 -0.01 0.00 -0.22 0.00 0.00 54.13 55.74 3bb2 s LEU 89 Cb 0.01 -4.27 0.01 0.00 0.50 0.00 0.00 46.19 42.44 3bb2 s LEU 89 CO -0.03 -0.22 0.04 -0.70 -1.32 0.00 0.00 176.35 174.12 3bb2 s GLU 90 N -2.60 0.04 -1.42 1.98 2.56 0.46 -4.82 118.70 114.90 3bb2 s GLU 90 Ca 0.56 0.06 -0.08 0.00 0.00 0.00 0.00 54.97 55.51 3bb2 s GLU 90 Cb -0.14 0.01 0.05 0.00 2.00 0.00 0.00 34.13 36.04 3bb2 s GLU 90 CO 0.19 -0.01 0.63 0.39 -0.56 0.00 0.00 175.26 175.89 3bb2 n GLU 91 N 3.13 -4.42 -2.32 4.30 1.02 -1.26 -0.51 120.64 120.58 3bb2 n GLU 91 Ca -0.13 0.67 -0.17 0.00 -0.02 0.00 0.00 57.16 57.51 3bb2 n GLU 91 Cb 0.59 -5.48 -0.02 0.00 -0.02 0.00 0.00 31.44 26.52 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 -2.48 -4.97 0.00 1.62 4.13 -1.26 -4.57 115.26 107.73 3bb2 n ASN 92 Ca -0.04 0.11 0.00 0.00 1.68 0.00 0.00 54.58 56.33 3bb2 n ASN 92 Cb 0.57 -4.20 0.00 0.00 -1.54 0.00 0.00 39.78 34.61 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 -3.56 -1.98 -2.48 3.10 -0.00 -0.28 -5.16 115.22 104.85 3bb2 n HIS 93 Ca -0.20 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.27 3bb2 n HIS 93 Cb 0.64 0.40 0.04 0.00 -0.00 0.00 0.00 29.99 31.07 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 -1.89 3.11 -0.10 1.57 1.51 0.34 -4.82 117.35 117.07 3bb2 s TYR 94 Ca 0.00 0.43 -0.03 0.00 -1.01 0.00 0.00 57.07 56.46 3bb2 s TYR 94 Cb 0.00 -2.78 -0.03 0.00 -0.11 0.00 0.00 41.96 39.04 3bb2 s TYR 94 CO 0.00 -0.89 0.02 -0.80 -1.11 0.00 0.00 175.55 172.76 3bb2 s ASN 95 N -4.36 5.35 0.21 2.29 -0.87 0.66 -0.40 114.94 117.81 3bb2 s ASN 95 Ca 0.55 0.16 0.10 0.00 -1.57 0.00 0.00 52.86 52.10 3bb2 s ASN 95 Cb -0.10 -1.56 -0.05 0.00 -0.02 0.00 0.00 41.25 39.52 3bb2 s ASN 95 CO 0.43 0.37 -0.19 0.42 -2.57 0.00 0.00 177.10 175.55 3bb2 s THR 96 N -0.80 2.07 -0.19 1.60 -4.23 -0.05 -0.94 115.64 113.09 3bb2 s THR 96 Ca 0.12 -2.13 -0.02 0.00 -1.18 0.00 0.00 61.69 58.49 3bb2 s THR 96 Cb -0.12 -2.05 0.06 0.00 1.34 0.00 0.00 72.50 71.73 3bb2 s THR 96 CO 0.02 -0.36 0.01 -0.31 -0.54 0.00 0.00 174.62 173.45 3bb2 s TYR 97 N -2.28 1.31 -0.16 3.99 2.02 -1.26 -1.10 117.35 119.87 3bb2 s TYR 97 Ca 0.22 -1.01 -0.07 0.00 -0.37 0.00 0.00 57.07 55.84 3bb2 s TYR 97 Cb -0.05 -1.14 -0.04 0.00 -0.40 0.00 0.00 41.96 40.33 3bb2 s TYR 97 CO 0.09 -0.63 0.08 0.42 -1.57 0.00 0.00 175.55 173.95 3bb2 s ILE 98 N 1.76 4.99 -0.12 2.71 1.01 -0.51 -0.96 121.20 130.09 3bb2 s ILE 98 Ca -0.02 0.03 -0.32 0.00 0.00 0.00 0.00 60.65 60.35 3bb2 s ILE 98 Cb -0.17 -3.22 -0.09 0.00 0.01 0.00 0.00 42.46 38.99 3bb2 s ILE 98 CO -0.07 0.51 2.03 -0.24 0.00 0.00 0.00 174.94 177.17 3bb2 n SER 99 N 3.01 3.44 -0.20 3.58 2.88 -0.02 -0.13 113.62 126.17 3bb2 n SER 99 Ca -0.17 0.70 -0.04 0.00 -1.33 0.00 0.00 58.87 58.02 3bb2 n SER 99 Cb 0.53 -1.44 0.06 0.00 -0.75 0.00 0.00 64.21 62.61 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 11.40 0.65 -0.56 -1.46 3.64 -1.55 0.49 116.57 129.17 3bb2 h LYS 100 Ca -0.45 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 58.94 3bb2 h LYS 100 Cb 1.26 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 3bb2 h LYS 100 CO 0.96 0.43 0.37 -0.22 -2.27 0.00 0.00 179.45 178.72 3bb2 h LYS 101 N 0.67 0.59 -0.25 1.90 1.63 -1.78 -2.46 116.57 116.87 3bb2 h LYS 101 Ca 0.25 -0.04 -0.13 0.00 -0.85 0.00 0.00 60.65 59.89 3bb2 h LYS 101 Cb 0.08 -0.13 -0.08 0.00 -0.60 0.00 0.00 32.23 31.50 3bb2 h LYS 101 CO -0.13 0.39 -0.18 0.72 -3.45 0.00 0.00 179.45 176.80 3bb2 n HIS 102 N -4.47 0.79 0.22 1.91 8.25 -1.07 -4.76 115.22 116.08 3bb2 n HIS 102 Ca 0.07 -1.55 0.08 0.00 -0.26 0.00 0.00 57.72 56.07 3bb2 n HIS 102 Cb 0.17 -0.42 0.62 0.00 1.12 0.00 0.00 29.99 31.48 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 1.00 2.01 0.00 -1.41 0.00 -0.40 -1.17 119.26 119.29 3bb2 h ALA 103 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3bb2 h ALA 103 Cb 1.48 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3bb2 h ALA 103 CO 0.28 -0.02 0.00 1.05 0.00 0.00 0.00 179.25 180.56 3bb2 h GLU 104 N 0.05 0.00 -0.31 0.00 9.09 -1.86 -2.25 114.58 119.31 3bb2 h GLU 104 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.44 3bb2 h GLU 104 Cb 0.07 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.17 3bb2 h GLU 104 CO -0.00 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.69 3bb2 n LYS 105 N -2.62 2.34 -3.60 1.06 5.02 -0.45 -4.99 118.16 114.91 3bb2 n LYS 105 Ca 0.02 -2.13 -0.21 0.00 -2.02 0.00 0.00 58.31 53.97 3bb2 n LYS 105 Cb 0.29 -1.46 0.05 0.00 -0.02 0.00 0.00 35.03 33.88 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 1.34 -2.32 -4.61 4.39 4.13 -0.85 -4.96 115.26 112.39 3bb2 n ASN 106 Ca 0.17 -0.79 -0.39 0.00 1.68 0.00 0.00 54.58 55.25 3bb2 n ASN 106 Cb 0.57 -4.30 -0.09 0.00 -1.54 0.00 0.00 39.78 34.41 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 -3.57 3.25 0.22 3.10 0.52 -1.24 -4.42 118.94 116.80 3bb2 s TRP 107 Ca 0.10 0.41 0.08 0.00 0.02 0.00 0.00 56.10 56.71 3bb2 s TRP 107 Cb -0.02 -2.57 -0.04 0.00 -1.15 0.00 0.00 33.47 29.68 3bb2 s TRP 107 CO 0.79 -0.23 0.01 -0.06 0.02 0.00 0.00 176.95 177.49 3bb2 s PHE 108 N 2.07 2.80 0.09 -1.98 0.40 -1.26 -0.84 117.98 119.25 3bb2 s PHE 108 Ca 0.15 -0.17 -0.31 0.00 -0.60 0.00 0.00 56.93 56.00 3bb2 s PHE 108 Cb -0.16 -1.30 -0.06 0.00 0.51 0.00 0.00 43.02 42.01 3bb2 s PHE 108 CO 0.10 0.56 1.21 0.08 0.70 0.00 0.00 175.22 177.87 3bb2 s VAL 109 N -2.00 3.89 -0.05 -0.44 1.01 -0.13 -4.66 120.40 118.02 3bb2 s VAL 109 Ca 0.29 1.40 -0.28 0.00 0.00 0.00 0.00 61.98 63.39 3bb2 s VAL 109 Cb -0.08 -3.89 0.06 0.00 0.00 0.00 0.00 36.38 32.47 3bb2 s VAL 109 CO 0.19 0.13 0.61 -0.83 0.00 0.00 0.00 175.10 175.21 3bb2 s GLY 110 N 0.88 -0.50 -0.06 4.51 0.00 -1.26 -4.38 107.32 106.51 3bb2 s GLY 110 Ca 0.58 1.15 0.05 0.00 0.00 0.00 0.00 44.72 46.50 3bb2 s GLY 110 CO 0.31 0.81 -0.22 1.08 0.00 0.00 0.00 173.10 175.08 3bb2 s LEU 111 N -1.19 2.02 0.85 0.66 1.43 -0.43 -0.95 118.68 121.07 3bb2 s LEU 111 Ca -0.11 -0.47 -0.12 0.00 -1.03 0.00 0.00 54.13 52.40 3bb2 s LEU 111 Cb -0.01 -1.26 0.10 0.00 0.03 0.00 0.00 46.19 45.05 3bb2 s LEU 111 CO 0.09 0.20 1.10 -0.54 0.23 0.00 0.00 176.35 177.43 3bb2 s LYS 112 N 0.01 1.64 0.57 1.70 1.02 0.33 -4.46 119.74 120.55 3bb2 s LYS 112 Ca -0.07 0.63 0.27 0.00 0.02 0.00 0.00 55.97 56.82 3bb2 s LYS 112 Cb -0.14 -1.87 1.69 0.00 -0.52 0.00 0.00 37.83 36.99 3bb2 s LYS 112 CO 0.04 -1.93 2.22 0.87 -0.92 0.00 0.00 175.35 175.63 3bb2 h LYS 113 N -1.31 0.00 -0.15 1.68 1.57 -1.87 -0.86 116.57 115.62 3bb2 h LYS 113 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 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 0.58 0.02 0.00 0.27 -0.57 0.00 0.00 179.45 179.75 3bb2 n ASN 114 N -3.94 1.45 0.00 0.86 0.23 -1.26 -4.60 115.26 108.00 3bb2 n ASN 114 Ca -0.03 -1.68 0.00 0.00 -0.53 0.00 0.00 54.58 52.34 3bb2 n ASN 114 Cb 0.10 -0.09 0.00 0.00 -2.08 0.00 0.00 39.78 37.71 3bb2 n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3bb2 n GLY 115 N 1.08 0.86 3.87 4.83 0.00 -0.33 -4.99 105.19 110.51 3bb2 n GLY 115 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.75 6.54 0.39 1.61 1.04 -1.26 -0.16 113.70 119.10 3bb2 s SER 116 Ca 0.00 1.19 -0.24 0.00 0.48 0.00 0.00 55.95 57.38 3bb2 s SER 116 Cb 0.00 -2.35 -0.09 0.00 0.10 0.00 0.00 66.02 63.68 3bb2 s SER 116 CO 0.00 -0.42 1.05 0.00 0.98 0.00 0.00 173.24 174.85 3bb2 s LYS 118 N -2.43 4.34 0.29 0.00 1.02 -0.12 -4.83 119.74 118.02 3bb2 s LYS 118 Ca 0.57 1.01 -0.28 0.00 0.02 0.00 0.00 55.97 57.29 3bb2 s LYS 118 Cb -0.22 -2.81 -0.09 0.00 -0.52 0.00 0.00 37.83 34.18 3bb2 s LYS 118 CO 0.28 0.33 0.98 0.50 -0.92 0.00 0.00 175.35 176.53 3bb2 s ARG 119 N -2.08 4.65 0.22 1.68 3.52 -1.26 -4.65 118.95 121.02 3bb2 s ARG 119 Ca 0.46 1.50 -0.16 0.00 -0.13 0.00 0.00 55.73 57.40 3bb2 s ARG 119 Cb -0.17 -3.02 0.25 0.00 -1.56 0.00 0.00 34.95 30.46 3bb2 s ARG 119 CO 0.21 0.31 1.57 0.78 -0.81 0.00 0.00 175.30 177.37 3bb2 h GLY 120 N 3.57 0.21 2.00 8.12 0.00 -1.07 0.25 103.07 116.14 3bb2 h GLY 120 Ca -0.46 0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3bb2 h GLY 120 CO 0.66 -0.25 0.00 -2.55 0.00 0.00 0.00 176.54 174.40 3bb2 h PRO 121 N -0.05 0.00 -0.01 4.80 0.11 -1.88 -0.95 132.00 134.02 3bb2 h PRO 121 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 3bb2 h PRO 121 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.70 3bb2 h PRO 121 CO -0.85 0.00 -0.15 0.54 -0.21 0.00 0.00 178.00 177.32 3bb2 n ARG 122 N -3.04 0.83 -3.59 1.05 5.12 0.86 -4.86 116.66 113.03 3bb2 n ARG 122 Ca -0.02 -0.38 -0.22 0.00 -1.93 0.00 0.00 57.85 55.29 3bb2 n ARG 122 Cb 0.12 -1.49 -0.01 0.00 -1.16 0.00 0.00 32.46 29.91 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 -2.43 5.05 -0.02 0.55 -4.23 -0.36 -4.94 115.64 109.25 3bb2 s THR 123 Ca 0.28 -0.70 -0.30 0.00 -1.18 0.00 0.00 61.69 59.80 3bb2 s THR 123 Cb 0.20 -3.81 0.11 0.00 1.34 0.00 0.00 72.50 70.33 3bb2 s THR 123 CO 0.48 -0.44 1.01 -1.38 -0.54 0.00 0.00 174.62 173.76 3bb2 s HIS 124 N -2.19 -0.23 0.47 3.99 -3.43 -1.26 -4.82 115.29 107.81 3bb2 s HIS 124 Ca 0.38 0.08 -0.23 0.00 -0.80 0.00 0.00 55.06 54.50 3bb2 s HIS 124 Cb -0.09 0.55 -0.09 0.00 -1.43 0.00 0.00 32.58 31.52 3bb2 s HIS 124 CO 0.33 -0.49 1.11 0.66 -2.00 0.00 0.00 174.74 174.35 3bb2 n TYR 125 N -0.27 1.48 0.00 0.38 4.01 -1.26 -2.71 117.16 118.78 3bb2 n TYR 125 Ca -0.06 0.50 0.00 0.00 -0.16 0.00 0.00 57.90 58.18 3bb2 n TYR 125 Cb 0.61 -2.27 0.00 0.00 -0.31 0.00 0.00 39.34 37.37 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 1.06 1.28 3.85 2.72 0.00 -1.26 -5.07 105.19 107.77 3bb2 n GLY 126 Ca 0.09 0.00 -0.32 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 -0.88 3.97 0.32 1.61 -0.21 -1.10 -4.97 119.66 118.41 3bb2 s GLN 127 Ca 0.00 0.78 0.17 0.00 0.02 0.00 0.00 55.36 56.33 3bb2 s GLN 127 Cb 0.00 -2.29 0.39 0.00 1.00 0.00 0.00 33.01 32.11 3bb2 s GLN 127 CO 0.00 -0.06 1.59 0.87 -2.12 0.00 0.00 175.29 175.58 3bb2 h LYS 128 N 1.52 0.00 0.00 2.91 1.79 -1.97 -3.31 116.57 117.51 3bb2 h LYS 128 Ca -0.48 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 57.98 3bb2 h LYS 128 Cb 1.18 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 3bb2 h LYS 128 CO 0.63 0.46 -0.06 0.00 -1.08 0.00 0.00 179.45 179.40 3bb2 h ALA 129 N 1.54 1.35 -0.02 3.86 0.00 -1.94 -2.49 119.26 121.57 3bb2 h ALA 129 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3bb2 h ALA 129 Cb 1.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3bb2 h ALA 129 CO 0.06 0.08 -0.04 0.44 0.00 0.00 0.00 179.25 179.79 3bb2 n ILE 130 N -3.68 0.00 -3.29 0.00 -5.35 -1.25 -1.31 119.36 104.49 3bb2 n ILE 130 Ca -0.02 -0.26 -0.40 0.00 -0.27 0.00 0.00 62.75 61.80 3bb2 n ILE 130 Cb 0.17 0.60 -0.08 0.00 -1.74 0.00 0.00 39.64 38.59 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 -2.07 4.07 0.21 7.28 1.43 -0.94 -4.43 118.68 124.23 3bb2 s LEU 131 Ca 0.35 0.40 0.10 0.00 -1.03 0.00 0.00 54.13 53.94 3bb2 s LEU 131 Cb 0.21 -2.58 -0.05 0.00 0.03 0.00 0.00 46.19 43.81 3bb2 s LEU 131 CO 0.36 -0.27 -0.18 -0.36 0.23 0.00 0.00 176.35 176.13 3bb2 s PHE 132 N 2.23 1.98 -0.10 0.29 0.40 -0.12 -3.37 117.98 119.29 3bb2 s PHE 132 Ca 0.19 -0.44 0.01 0.00 -0.60 0.00 0.00 56.93 56.08 3bb2 s PHE 132 Cb -0.16 -0.93 0.02 0.00 0.51 0.00 0.00 43.02 42.46 3bb2 s PHE 132 CO 0.10 0.46 -0.11 -0.51 0.70 0.00 0.00 175.22 175.86 3bb2 s LEU 133 N -3.06 1.45 -0.35 -0.37 1.43 0.01 -0.25 118.68 117.54 3bb2 s LEU 133 Ca 0.22 -0.34 -0.29 0.00 -1.03 0.00 0.00 54.13 52.69 3bb2 s LEU 133 Cb -0.05 -0.91 0.02 0.00 0.03 0.00 0.00 46.19 45.28 3bb2 s LEU 133 CO 0.09 -0.05 1.13 -2.16 0.23 0.00 0.00 176.35 175.59 3bb2 s PRO 134 N 1.30 3.95 0.16 1.29 0.04 -1.26 -1.51 135.00 138.97 3bb2 s PRO 134 Ca -0.02 0.98 0.05 0.00 0.04 0.00 0.00 61.00 62.05 3bb2 s PRO 134 Cb -0.14 -3.80 -0.04 0.00 0.04 0.00 0.00 34.50 30.56 3bb2 s PRO 134 CO -0.04 -1.06 0.11 -0.51 0.04 0.00 0.00 177.00 175.53 3bb2 s LEU 135 N 3.99 3.73 0.57 -3.56 1.43 0.41 -4.89 118.68 120.36 3bb2 s LEU 135 Ca 0.48 -0.16 -0.19 0.00 -1.03 0.00 0.00 54.13 53.23 3bb2 s LEU 135 Cb -0.12 -2.36 -0.05 0.00 0.03 0.00 0.00 46.19 43.70 3bb2 s LEU 135 CO 0.21 0.08 1.17 -2.84 0.23 0.00 0.00 176.35 175.20 3bb2 s PRO 136 N -3.01 3.18 0.00 1.29 0.02 -1.26 -0.46 135.00 134.76 3bb2 s PRO 136 Ca 0.30 1.71 0.31 0.00 0.02 0.00 0.00 61.00 63.35 3bb2 s PRO 136 Cb -0.10 -1.97 1.86 0.00 0.02 0.00 0.00 34.50 34.31 3bb2 s PRO 136 CO 0.23 -1.01 2.19 1.33 -0.33 0.00 0.00 177.00 179.40