#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bg1 s MET 15 N 0.00 3.08 0.75 0.11 -2.45 -1.26 -5.11 119.30 114.42 3bg1 s MET 15 Ca 0.00 -0.83 -0.11 0.00 -1.25 0.00 0.00 55.69 53.50 3bg1 s MET 15 Cb 0.00 -2.48 0.04 0.00 1.25 0.00 0.00 34.83 33.64 3bg1 s MET 15 CO 0.00 0.00 1.13 0.42 1.05 0.00 0.00 175.02 177.62 3bg1 s ILE 16 N 0.79 2.81 0.00 10.11 -1.09 -1.26 -2.88 121.20 129.68 3bg1 s ILE 16 Ca -0.07 0.24 0.00 0.00 -2.23 0.00 0.00 60.65 58.58 3bg1 s ILE 16 Cb -0.16 -3.25 0.00 0.00 -1.58 0.00 0.00 42.46 37.47 3bg1 s ILE 16 CO -0.01 -0.33 0.00 1.57 -1.23 0.00 0.00 174.94 174.94 3bg1 n HIS 17 N -3.13 0.00 -4.34 3.97 -0.00 -0.58 -4.85 115.22 106.29 3bg1 n HIS 17 Ca 0.07 0.00 -0.26 0.00 0.46 0.00 0.00 57.72 57.99 3bg1 n HIS 17 Cb 0.59 0.00 -0.13 0.00 -0.12 0.00 0.00 29.99 30.33 3bg1 n HIS 17 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 3bg1 s ASP 18 N -2.09 2.93 -0.19 0.26 -1.08 -1.22 -5.05 116.67 110.23 3bg1 s ASP 18 Ca 0.00 -0.73 -0.08 0.00 -0.52 0.00 0.00 52.55 51.22 3bg1 s ASP 18 Cb 0.00 -0.18 0.08 0.00 -1.46 0.00 0.00 42.92 41.36 3bg1 s ASP 18 CO 0.00 0.11 0.42 0.00 0.52 0.00 0.00 175.17 176.23 3bg1 s ALA 19 N -1.16 -1.14 -0.05 3.66 0.00 -1.26 -3.04 121.76 118.77 3bg1 s ALA 19 Ca 0.11 1.53 0.04 0.00 0.00 0.00 0.00 51.96 53.64 3bg1 s ALA 19 Cb -0.10 -1.20 -0.00 0.00 0.00 0.00 0.00 23.12 21.82 3bg1 s ALA 19 CO 0.05 -0.59 -0.19 -1.14 0.00 0.00 0.00 175.76 173.89 3bg1 s GLN 20 N 2.20 2.04 0.60 0.00 0.74 -0.94 -4.98 119.66 119.32 3bg1 s GLN 20 Ca -0.04 -0.68 -0.18 0.00 0.05 0.00 0.00 55.36 54.51 3bg1 s GLN 20 Cb -0.11 -1.73 -0.03 0.00 1.10 0.00 0.00 33.01 32.24 3bg1 s GLN 20 CO -0.13 0.25 1.18 1.41 -0.55 0.00 0.00 175.29 177.45 3bg1 s MET 21 N 0.08 2.98 0.75 1.67 -2.45 -1.26 -2.65 119.30 118.42 3bg1 s MET 21 Ca -0.06 1.73 -0.11 0.00 -1.25 0.00 0.00 55.69 56.00 3bg1 s MET 21 Cb -0.13 -1.94 0.04 0.00 1.25 0.00 0.00 34.83 34.05 3bg1 s MET 21 CO 0.03 -1.17 1.08 0.34 1.05 0.00 0.00 175.02 176.35 3bg1 s ASP 22 N -1.76 4.93 1.07 1.11 -1.08 -0.98 -4.87 116.67 115.09 3bg1 s ASP 22 Ca 0.75 1.41 -0.12 0.00 -0.52 0.00 0.00 52.55 54.06 3bg1 s ASP 22 Cb -0.28 -2.20 0.23 0.00 -1.46 0.00 0.00 42.92 39.21 3bg1 s ASP 22 CO 0.33 -1.70 1.06 -0.47 0.52 0.00 0.00 175.17 174.91 3bg1 s TYR 23 N -3.13 1.73 -1.27 -5.34 5.04 -1.26 -2.16 117.35 110.96 3bg1 s TYR 23 Ca 0.59 1.15 0.00 0.00 -2.44 0.00 0.00 57.07 56.37 3bg1 s TYR 23 Cb -0.14 -3.18 0.00 0.00 0.35 0.00 0.00 41.96 38.99 3bg1 s TYR 23 CO 0.54 -3.33 0.00 0.66 -1.34 0.00 0.00 175.55 172.08 3bg1 n TYR 24 N -4.52 -0.26 -3.77 4.97 4.02 -1.26 -3.57 117.16 112.75 3bg1 n TYR 24 Ca 0.05 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.70 3bg1 n TYR 24 Cb 0.55 -2.51 -0.02 0.00 -0.02 0.00 0.00 39.34 37.34 3bg1 n TYR 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3bg1 n GLY 25 N -0.11 -0.31 0.42 2.72 0.00 -0.92 -4.85 105.19 102.14 3bg1 n GLY 25 Ca -0.12 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 3bg1 n GLY 25 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3bg1 n THR 26 N -3.20 0.60 -3.32 2.61 -1.04 -1.23 -4.92 114.28 103.78 3bg1 n THR 26 Ca -0.11 -0.18 -0.11 0.00 -2.04 0.00 0.00 64.05 61.60 3bg1 n THR 26 Cb 0.35 -1.34 0.02 0.00 -1.82 0.00 0.00 70.33 67.54 3bg1 n THR 26 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3bg1 n ARG 27 N -3.22 0.93 -3.06 -2.82 3.00 -1.26 -2.00 116.66 108.23 3bg1 n ARG 27 Ca -0.20 -1.62 -0.01 0.00 -0.01 0.00 0.00 57.85 56.00 3bg1 n ARG 27 Cb 0.67 0.02 -0.00 0.00 0.00 0.00 0.00 32.46 33.14 3bg1 n ARG 27 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 3bg1 s LEU 28 N 0.00 -1.50 0.56 0.55 2.96 0.18 -2.31 118.68 119.13 3bg1 s LEU 28 Ca 0.24 -1.12 -0.19 0.00 -0.22 0.00 0.00 54.13 52.84 3bg1 s LEU 28 Cb -0.02 1.94 -0.05 0.00 0.50 0.00 0.00 46.19 48.56 3bg1 s LEU 28 CO 0.15 -0.13 1.13 0.00 -1.32 0.00 0.00 176.35 176.18 3bg1 s ALA 29 N 1.51 2.66 0.10 5.97 0.00 -1.08 -2.36 121.76 128.56 3bg1 s ALA 29 Ca 0.21 0.78 -0.08 0.00 0.00 0.00 0.00 51.96 52.87 3bg1 s ALA 29 Cb -0.03 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 3bg1 s ALA 29 CO -0.06 -0.85 0.18 0.99 0.00 0.00 0.00 175.76 176.02 3bg1 s THR 30 N -1.86 0.13 -0.20 0.00 2.01 0.22 -2.20 115.64 113.73 3bg1 s THR 30 Ca 0.72 -1.30 -0.21 0.00 0.31 0.00 0.00 61.69 61.20 3bg1 s THR 30 Cb -0.23 -1.47 0.06 0.00 0.01 0.00 0.00 72.50 70.86 3bg1 s THR 30 CO 0.29 -0.61 0.59 0.00 -0.69 0.00 0.00 174.62 174.21 3bg1 s SER 32 N 0.11 1.91 0.00 0.00 1.04 -1.20 -1.53 113.70 114.03 3bg1 s SER 32 Ca -0.02 -1.51 0.03 0.00 0.48 0.00 0.00 55.95 54.93 3bg1 s SER 32 Cb -0.04 0.28 0.19 0.00 0.10 0.00 0.00 66.02 66.54 3bg1 s SER 32 CO 0.02 -0.81 0.59 -1.54 0.98 0.00 0.00 173.24 172.48 3bg1 n SER 33 N -0.87 0.00 -1.11 7.02 3.41 -1.14 -2.28 113.62 118.65 3bg1 n SER 33 Ca -0.01 -0.15 0.06 0.00 -0.26 0.00 0.00 58.87 58.51 3bg1 n SER 33 Cb 0.65 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.84 3bg1 n SER 33 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3bg1 n ASP 34 N -0.90 3.20 -1.68 4.04 5.75 -1.26 -4.25 116.55 121.45 3bg1 n ASP 34 Ca 0.02 -2.27 -0.17 0.00 -0.01 0.00 0.00 54.79 52.37 3bg1 n ASP 34 Cb 0.01 -0.45 -0.03 0.00 -1.03 0.00 0.00 41.12 39.62 3bg1 n ASP 34 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3bg1 n ARG 35 N 0.66 -1.27 -4.18 0.11 1.74 -0.97 -4.99 116.66 107.77 3bg1 n ARG 35 Ca 0.17 0.90 -0.34 0.00 -0.77 0.00 0.00 57.85 57.81 3bg1 n ARG 35 Cb 0.61 -5.25 -0.15 0.00 -1.02 0.00 0.00 32.46 26.65 3bg1 n ARG 35 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3bg1 s SER 36 N -2.44 3.62 -0.86 0.55 0.01 -1.25 -4.00 113.70 109.34 3bg1 s SER 36 Ca 0.00 -0.52 -0.15 0.00 1.31 0.00 0.00 55.95 56.58 3bg1 s SER 36 Cb 0.00 -1.58 0.20 0.00 0.21 0.00 0.00 66.02 64.85 3bg1 s SER 36 CO 0.00 0.02 0.87 -0.69 0.41 0.00 0.00 173.24 173.85 3bg1 s VAL 37 N 1.21 5.37 -0.10 3.43 1.01 -0.41 -3.28 120.40 127.64 3bg1 s VAL 37 Ca 0.02 -2.23 -0.21 0.00 0.00 0.00 0.00 61.98 59.56 3bg1 s VAL 37 Cb -0.14 -4.55 -0.04 0.00 0.00 0.00 0.00 36.38 31.65 3bg1 s VAL 37 CO -0.06 -1.16 0.60 -0.54 0.00 0.00 0.00 175.10 173.93 3bg1 s LYS 38 N 0.85 4.38 -0.42 2.72 1.02 0.52 -1.48 119.74 127.33 3bg1 s LYS 38 Ca 0.22 0.67 -0.08 0.00 0.02 0.00 0.00 55.97 56.80 3bg1 s LYS 38 Cb -0.09 -3.46 0.09 0.00 -0.52 0.00 0.00 37.83 33.86 3bg1 s LYS 38 CO -0.09 0.07 0.25 0.42 -0.92 0.00 0.00 175.35 175.09 3bg1 s ILE 39 N 0.83 4.06 -0.13 2.17 -1.09 -0.81 0.69 121.20 126.92 3bg1 s ILE 39 Ca 0.32 -1.54 -0.07 0.00 -2.23 0.00 0.00 60.65 57.13 3bg1 s ILE 39 Cb -0.16 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.14 3bg1 s ILE 39 CO 0.14 -0.55 0.12 -0.36 -1.23 0.00 0.00 174.94 173.05 3bg1 s PHE 40 N 1.37 3.49 0.09 3.97 0.40 -0.99 -1.33 117.98 124.98 3bg1 s PHE 40 Ca 0.04 0.42 -0.18 0.00 -0.60 0.00 0.00 56.93 56.61 3bg1 s PHE 40 Cb -0.23 -1.97 -0.07 0.00 0.51 0.00 0.00 43.02 41.26 3bg1 s PHE 40 CO 0.01 0.59 0.56 0.34 0.70 0.00 0.00 175.22 177.41 3bg1 s ASP 41 N -0.67 6.98 -0.60 1.36 -1.08 -0.42 0.50 116.67 122.75 3bg1 s ASP 41 Ca 0.13 1.20 0.05 0.00 -0.52 0.00 0.00 52.55 53.40 3bg1 s ASP 41 Cb -0.12 -2.33 0.18 0.00 -1.46 0.00 0.00 42.92 39.19 3bg1 s ASP 41 CO 0.02 0.22 0.48 0.52 0.52 0.00 0.00 175.17 176.94 3bg1 n VAL 42 N 1.44 0.81 -3.54 1.11 0.31 -0.85 -1.25 118.33 116.36 3bg1 n VAL 42 Ca -0.09 -4.47 -0.41 0.00 -0.01 0.00 0.00 64.34 59.36 3bg1 n VAL 42 Cb 0.51 -2.02 -0.11 0.00 -0.91 0.00 0.00 33.84 31.32 3bg1 n VAL 42 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3bg1 s ARG 43 N -1.15 2.96 0.00 5.55 0.52 -1.23 -4.20 118.95 121.40 3bg1 s ARG 43 Ca 0.29 -1.01 0.00 0.00 -0.52 0.00 0.00 55.73 54.50 3bg1 s ARG 43 Cb 0.01 -3.83 0.00 0.00 0.52 0.00 0.00 34.95 31.66 3bg1 s ARG 43 CO -0.16 -0.69 0.00 0.09 0.02 0.00 0.00 175.30 174.57 3bg1 n ASN 44 N 5.07 -0.95 0.00 0.23 3.02 -1.26 -3.81 115.26 117.56 3bg1 n ASN 44 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 3bg1 n ASN 44 Cb 0.47 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 3bg1 n ASN 44 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bg1 n GLY 45 N -2.32 0.35 3.68 7.41 0.00 -1.26 -5.07 105.19 107.99 3bg1 n GLY 45 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3bg1 n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bg1 s GLY 46 N -1.71 2.11 0.21 -0.02 0.00 -1.25 -5.05 107.32 101.61 3bg1 s GLY 46 Ca 0.00 -0.55 -0.30 0.00 0.00 0.00 0.00 44.72 43.87 3bg1 s GLY 46 CO 0.00 0.67 1.00 1.20 0.00 0.00 0.00 173.10 175.97 3bg1 s GLN 47 N 1.06 4.74 -0.27 2.90 -0.21 -1.26 -3.51 119.66 123.10 3bg1 s GLN 47 Ca 0.17 1.58 -0.00 0.00 0.02 0.00 0.00 55.36 57.13 3bg1 s GLN 47 Cb -0.14 -3.28 0.15 0.00 1.00 0.00 0.00 33.01 30.73 3bg1 s GLN 47 CO 0.07 0.32 0.37 0.42 -2.12 0.00 0.00 175.29 174.34 3bg1 s ILE 48 N -0.76 -0.57 0.93 1.08 1.01 -0.38 -4.96 121.20 117.55 3bg1 s ILE 48 Ca 0.44 -0.26 -0.14 0.00 0.00 0.00 0.00 60.65 60.69 3bg1 s ILE 48 Cb -0.27 -0.93 -0.02 0.00 0.01 0.00 0.00 42.46 41.25 3bg1 s ILE 48 CO 0.34 -0.27 0.10 -0.11 0.00 0.00 0.00 174.94 175.00 3bg1 n LEU 49 N 5.35 -1.67 0.00 2.97 7.94 -1.26 -1.30 117.00 129.03 3bg1 n LEU 49 Ca -0.01 0.32 0.00 0.00 -1.11 0.00 0.00 56.01 55.21 3bg1 n LEU 49 Cb 0.49 -1.09 0.00 0.00 0.53 0.00 0.00 43.42 43.35 3bg1 n LEU 49 CO 0.01 -4.22 0.00 -0.38 -1.11 0.00 0.00 177.39 171.69 3bg1 n ILE 50 N -3.16 0.00 -3.65 1.96 5.41 -0.44 -4.71 119.36 114.77 3bg1 n ILE 50 Ca 0.05 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.78 3bg1 n ILE 50 Cb 0.54 0.26 -0.05 0.00 -0.71 0.00 0.00 39.64 39.68 3bg1 n ILE 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3bg1 s ALA 51 N 0.00 -2.15 -0.62 -1.39 0.00 -1.24 -4.99 121.76 111.38 3bg1 s ALA 51 Ca 0.00 1.87 0.04 0.00 0.00 0.00 0.00 51.96 53.87 3bg1 s ALA 51 Cb 0.00 -1.60 0.15 0.00 0.00 0.00 0.00 23.12 21.67 3bg1 s ALA 51 CO 0.00 -0.21 0.39 0.34 0.00 0.00 0.00 175.76 176.28 3bg1 s ASP 52 N -0.84 4.51 -0.49 0.00 -1.08 -1.26 -1.93 116.67 115.58 3bg1 s ASP 52 Ca 0.09 -3.47 -0.27 0.00 -0.52 0.00 0.00 52.55 48.37 3bg1 s ASP 52 Cb -0.02 -1.59 -0.02 0.00 -1.46 0.00 0.00 42.92 39.84 3bg1 s ASP 52 CO -0.10 -0.15 1.78 -0.76 0.52 0.00 0.00 175.17 176.46 3bg1 s LEU 53 N -0.91 3.40 -0.03 -1.34 1.43 -0.55 -4.82 118.68 115.85 3bg1 s LEU 53 Ca 0.22 0.73 -0.03 0.00 -1.03 0.00 0.00 54.13 54.02 3bg1 s LEU 53 Cb -0.13 -3.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.05 3bg1 s LEU 53 CO -0.10 -2.02 0.13 -0.13 0.23 0.00 0.00 176.35 174.46 3bg1 s ARG 54 N 6.28 3.29 0.00 1.70 0.52 -1.26 -1.28 118.95 128.20 3bg1 s ARG 54 Ca 0.71 -0.34 0.00 0.00 -0.52 0.00 0.00 55.73 55.57 3bg1 s ARG 54 Cb -0.16 -3.02 0.00 0.00 0.52 0.00 0.00 34.95 32.29 3bg1 s ARG 54 CO 0.27 0.69 0.00 0.41 0.02 0.00 0.00 175.30 176.68 3bg1 n GLY 55 N 1.29 0.00 3.57 -3.53 0.00 -1.26 -5.03 105.19 100.22 3bg1 n GLY 55 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 3bg1 n GLY 55 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bg1 s HIS 56 N 0.00 3.04 -0.64 1.61 3.76 -1.26 -4.98 115.29 116.82 3bg1 s HIS 56 Ca 0.00 -0.09 0.23 0.00 -0.15 0.00 0.00 55.06 55.04 3bg1 s HIS 56 Cb 0.00 -1.85 0.90 0.00 1.11 0.00 0.00 32.58 32.74 3bg1 s HIS 56 CO 0.00 0.18 1.69 0.39 -0.85 0.00 0.00 174.74 176.15 3bg1 n GLU 57 N 2.85 0.16 -4.20 1.40 1.02 -1.26 -4.80 120.64 115.81 3bg1 n GLU 57 Ca -0.18 0.34 -0.12 0.00 -0.02 0.00 0.00 57.16 57.19 3bg1 n GLU 57 Cb 0.53 -1.78 -0.10 0.00 -0.02 0.00 0.00 31.44 30.07 3bg1 n GLU 57 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3bg1 s GLY 58 N -3.42 1.24 0.45 0.62 0.00 -1.26 -4.89 107.32 100.05 3bg1 s GLY 58 Ca 0.06 -1.60 -0.23 0.00 0.00 0.00 0.00 44.72 42.96 3bg1 s GLY 58 CO 0.40 -1.43 0.80 -1.55 0.00 0.00 0.00 173.10 171.33 3bg1 n PRO 59 N -0.21 0.95 -3.13 2.90 -0.04 -1.26 -4.39 135.00 129.82 3bg1 n PRO 59 Ca -0.03 0.35 -0.38 0.00 -0.04 0.00 0.00 63.50 63.39 3bg1 n PRO 59 Cb 0.65 -1.83 -0.06 0.00 -0.04 0.00 0.00 33.50 32.22 3bg1 n PRO 59 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3bg1 s VAL 60 N -1.40 4.57 0.00 0.52 1.01 -1.23 -1.65 120.40 122.23 3bg1 s VAL 60 Ca 0.65 1.40 0.00 0.00 0.00 0.00 0.00 61.98 64.03 3bg1 s VAL 60 Cb -0.55 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 31.85 3bg1 s VAL 60 CO 0.56 0.46 0.00 0.79 0.00 0.00 0.00 175.10 176.91 3bg1 n TRP 61 N 1.44 0.00 -3.83 5.22 5.03 -1.13 -4.58 117.44 119.60 3bg1 n TRP 61 Ca -0.07 0.00 -0.23 0.00 3.03 0.00 0.00 57.50 60.23 3bg1 n TRP 61 Cb 0.50 0.00 -0.04 0.00 -1.03 0.00 0.00 31.31 30.74 3bg1 n TRP 61 CO 0.00 0.00 0.00 -1.14 -0.03 0.00 0.00 177.69 176.52 3bg1 s GLN 62 N 0.00 2.38 -0.14 -0.99 0.74 -1.26 -3.37 119.66 117.01 3bg1 s GLN 62 Ca 0.00 -1.72 -0.14 0.00 0.05 0.00 0.00 55.36 53.55 3bg1 s GLN 62 Cb 0.00 -2.19 0.04 0.00 1.10 0.00 0.00 33.01 31.96 3bg1 s GLN 62 CO 0.00 -0.22 0.39 0.08 -0.55 0.00 0.00 175.29 175.00 3bg1 s VAL 63 N -2.56 0.00 -0.00 1.34 1.01 -1.26 -3.23 120.40 115.70 3bg1 s VAL 63 Ca 0.44 -0.03 -0.00 0.00 0.00 0.00 0.00 61.98 62.39 3bg1 s VAL 63 Cb -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.82 3bg1 s VAL 63 CO 0.25 -0.01 0.01 0.00 0.00 0.00 0.00 175.10 175.34 3bg1 s ALA 64 N 0.11 -0.00 -0.12 5.51 0.00 -0.57 -4.61 121.76 122.07 3bg1 s ALA 64 Ca -0.01 0.03 -0.19 0.00 0.00 0.00 0.00 51.96 51.78 3bg1 s ALA 64 Cb -0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 3bg1 s ALA 64 CO 0.01 -0.01 0.54 -1.58 0.00 0.00 0.00 175.76 174.72 3bg1 s TRP 65 N 0.06 3.51 0.92 0.00 0.52 -1.26 -1.31 118.94 121.38 3bg1 s TRP 65 Ca -0.00 0.95 -0.12 0.00 0.02 0.00 0.00 56.10 56.95 3bg1 s TRP 65 Cb -0.01 -2.63 0.15 0.00 -1.15 0.00 0.00 33.47 29.83 3bg1 s TRP 65 CO -0.00 0.11 1.13 0.00 0.02 0.00 0.00 176.95 178.21 3bg1 s ALA 66 N 0.83 1.64 -0.12 0.98 0.00 -0.48 -4.93 121.76 119.68 3bg1 s ALA 66 Ca 0.28 -0.50 -0.30 0.00 0.00 0.00 0.00 51.96 51.45 3bg1 s ALA 66 Cb -0.16 -3.05 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 3bg1 s ALA 66 CO 0.12 -2.37 1.20 -1.58 0.00 0.00 0.00 175.76 173.12 3bg1 s HIS 67 N -3.23 3.09 0.48 0.00 2.46 -1.26 -4.70 115.29 112.14 3bg1 s HIS 67 Ca 0.64 1.18 0.00 0.00 0.47 0.00 0.00 55.06 57.35 3bg1 s HIS 67 Cb -0.15 -3.42 0.00 0.00 -0.13 0.00 0.00 32.58 28.87 3bg1 s HIS 67 CO 0.54 -1.31 0.82 -0.35 -2.47 0.00 0.00 174.74 171.97 3bg1 n PRO 68 N 5.82 0.02 0.21 2.88 -0.04 -1.26 -0.15 135.00 142.48 3bg1 n PRO 68 Ca 0.12 0.69 0.15 0.00 -0.04 0.00 0.00 63.50 64.42 3bg1 n PRO 68 Cb 0.46 -2.24 0.71 0.00 -0.04 0.00 0.00 33.50 32.38 3bg1 n PRO 68 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 3bg1 h MET 69 N 0.00 0.00 -0.34 0.54 1.85 -2.01 -1.73 114.93 113.24 3bg1 h MET 69 Ca 0.00 0.00 -0.20 0.00 -0.61 0.00 0.00 59.70 58.89 3bg1 h MET 69 Cb 1.64 0.00 -0.12 0.00 0.43 0.00 0.00 31.60 33.55 3bg1 h MET 69 CO 0.00 0.00 -0.18 0.66 -0.40 0.00 0.00 176.91 176.99 3bg1 n TYR 70 N -2.53 1.10 -2.88 1.39 4.02 0.79 -5.07 117.16 113.98 3bg1 n TYR 70 Ca -0.01 -1.69 0.00 0.00 -0.01 0.00 0.00 57.90 56.20 3bg1 n TYR 70 Cb 0.13 -0.47 0.00 0.00 -0.02 0.00 0.00 39.34 38.97 3bg1 n TYR 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3bg1 n GLY 71 N -1.09 0.48 2.88 2.72 0.00 -0.65 -4.59 105.19 104.94 3bg1 n GLY 71 Ca 0.33 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 3bg1 n GLY 71 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3bg1 s ASN 72 N -4.00 4.40 0.14 1.61 0.02 -1.26 -4.10 114.94 111.74 3bg1 s ASN 72 Ca 0.00 -1.97 0.10 0.00 -1.02 0.00 0.00 52.86 49.98 3bg1 s ASN 72 Cb 0.00 -1.27 -0.04 0.00 0.02 0.00 0.00 41.25 39.96 3bg1 s ASN 72 CO 0.00 -0.39 -0.25 -0.63 0.02 0.00 0.00 177.10 175.85 3bg1 s ILE 73 N 1.17 2.15 -0.15 0.60 1.01 -1.26 -2.96 121.20 121.75 3bg1 s ILE 73 Ca 0.11 -1.78 -0.08 0.00 0.00 0.00 0.00 60.65 58.90 3bg1 s ILE 73 Cb -0.19 -1.93 0.06 0.00 0.01 0.00 0.00 42.46 40.41 3bg1 s ILE 73 CO -0.15 0.00 0.35 -0.22 0.00 0.00 0.00 174.94 174.92 3bg1 s LEU 74 N -2.18 0.04 0.11 2.97 2.96 -0.99 -1.38 118.68 120.22 3bg1 s LEU 74 Ca 0.14 0.77 0.09 0.00 -0.22 0.00 0.00 54.13 54.91 3bg1 s LEU 74 Cb -0.09 1.13 -0.04 0.00 0.50 0.00 0.00 46.19 47.69 3bg1 s LEU 74 CO 0.06 -0.19 -0.20 0.00 -1.32 0.00 0.00 176.35 174.71 3bg1 s ALA 75 N 1.42 2.60 -0.01 5.97 0.00 -0.43 -0.63 121.76 130.69 3bg1 s ALA 75 Ca -0.09 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.52 3bg1 s ALA 75 Cb -0.09 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.44 3bg1 s ALA 75 CO -0.11 0.58 0.02 -1.54 0.00 0.00 0.00 175.76 174.70 3bg1 s SER 76 N -2.00 0.04 0.55 0.00 1.04 -0.03 -1.51 113.70 111.79 3bg1 s SER 76 Ca 0.17 0.02 0.08 0.00 0.48 0.00 0.00 55.95 56.69 3bg1 s SER 76 Cb -0.10 -0.04 0.06 0.00 0.10 0.00 0.00 66.02 66.04 3bg1 s SER 76 CO 0.08 -0.07 0.61 0.00 0.98 0.00 0.00 173.24 174.84 3bg1 s SER 78 N -4.48 -0.05 0.00 0.00 0.15 -1.17 -2.82 113.70 105.34 3bg1 s SER 78 Ca 0.49 -0.74 0.26 0.00 0.70 0.00 0.00 55.95 56.65 3bg1 s SER 78 Cb -0.04 0.61 1.28 0.00 -1.71 0.00 0.00 66.02 66.15 3bg1 s SER 78 CO 0.31 -1.19 1.86 0.00 1.20 0.00 0.00 173.24 175.42 3bg1 n TYR 79 N -0.59 0.00 1.86 3.44 9.36 -0.66 -0.91 117.16 129.66 3bg1 n TYR 79 Ca -0.05 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.20 3bg1 n TYR 79 Cb 0.60 -0.30 0.16 0.00 -0.63 0.00 0.00 39.34 39.17 3bg1 n TYR 79 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 3bg1 n ASP 80 N -1.30 0.24 0.00 2.98 5.75 -1.26 -4.31 116.55 118.66 3bg1 n ASP 80 Ca 0.12 -1.85 0.00 0.00 -0.01 0.00 0.00 54.79 53.04 3bg1 n ASP 80 Cb 0.21 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 3bg1 n ASP 80 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3bg1 n ARG 81 N -0.44 -0.07 -4.26 0.11 1.74 -1.16 -4.90 116.66 107.68 3bg1 n ARG 81 Ca 0.05 0.02 -0.27 0.00 -0.77 0.00 0.00 57.85 56.88 3bg1 n ARG 81 Cb 0.06 -3.72 -0.09 0.00 -1.02 0.00 0.00 32.46 27.68 3bg1 n ARG 81 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3bg1 s LYS 82 N -0.63 2.17 -0.02 5.56 1.02 -1.26 -4.27 119.74 122.31 3bg1 s LYS 82 Ca 0.00 -1.18 0.06 0.00 0.02 0.00 0.00 55.97 54.86 3bg1 s LYS 82 Cb 0.00 -2.24 -0.01 0.00 -0.52 0.00 0.00 37.83 35.06 3bg1 s LYS 82 CO 0.00 0.45 -0.19 0.08 -0.92 0.00 0.00 175.35 174.77 3bg1 s VAL 83 N -1.64 1.53 0.03 3.17 1.01 -0.53 -3.01 120.40 120.96 3bg1 s VAL 83 Ca 0.25 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.49 3bg1 s VAL 83 Cb -0.09 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 3bg1 s VAL 83 CO 0.16 0.43 -0.25 -0.63 0.00 0.00 0.00 175.10 174.82 3bg1 s ILE 84 N -0.41 1.98 -0.22 2.22 1.01 0.08 -1.69 121.20 124.17 3bg1 s ILE 84 Ca 0.06 -1.25 0.02 0.00 0.00 0.00 0.00 60.65 59.48 3bg1 s ILE 84 Cb -0.08 -1.69 0.04 0.00 0.01 0.00 0.00 42.46 40.74 3bg1 s ILE 84 CO -0.00 0.38 -0.15 -0.63 0.00 0.00 0.00 174.94 174.53 3bg1 s ILE 85 N -0.74 2.13 -0.31 2.92 1.01 -0.98 -0.85 121.20 124.38 3bg1 s ILE 85 Ca 0.10 -1.27 -0.09 0.00 0.00 0.00 0.00 60.65 59.39 3bg1 s ILE 85 Cb -0.10 -2.07 0.00 0.00 0.01 0.00 0.00 42.46 40.31 3bg1 s ILE 85 CO 0.01 0.26 0.14 0.26 0.00 0.00 0.00 174.94 175.61 3bg1 s TRP 86 N 1.20 3.18 0.22 3.97 0.52 0.20 -2.35 118.94 125.87 3bg1 s TRP 86 Ca -0.02 -0.73 -0.03 0.00 0.02 0.00 0.00 56.10 55.34 3bg1 s TRP 86 Cb -0.16 -2.33 0.05 0.00 -1.15 0.00 0.00 33.47 29.87 3bg1 s TRP 86 CO -0.09 -0.51 0.30 -2.13 0.02 0.00 0.00 176.95 174.53 3bg1 n ARG 87 N 4.95 -0.11 -3.66 4.98 3.00 -0.50 -2.35 116.66 122.97 3bg1 n ARG 87 Ca -0.14 -0.54 -0.07 0.00 -0.00 0.00 0.00 57.85 57.10 3bg1 n ARG 87 Cb 0.48 -0.28 -0.08 0.00 0.00 0.00 0.00 32.46 32.58 3bg1 n ARG 87 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 3bg1 s GLU 88 N -3.51 0.49 -0.47 -0.14 2.12 -1.16 -3.64 118.70 112.38 3bg1 s GLU 88 Ca 0.17 1.09 0.03 0.00 0.36 0.00 0.00 54.97 56.63 3bg1 s GLU 88 Cb -0.01 0.29 0.16 0.00 0.26 0.00 0.00 34.13 34.83 3bg1 s GLU 88 CO 0.12 -0.19 0.33 -1.21 -0.54 0.00 0.00 175.26 173.77 3bg1 s GLU 89 N 2.08 1.28 -0.22 4.30 2.02 -0.94 -4.65 118.70 122.57 3bg1 s GLU 89 Ca -0.07 -2.24 0.00 0.00 0.02 0.00 0.00 54.97 52.68 3bg1 s GLU 89 Cb -0.09 -2.06 0.00 0.00 0.10 0.00 0.00 34.13 32.08 3bg1 s GLU 89 CO -0.16 -1.28 0.00 0.09 0.02 0.00 0.00 175.26 173.93 3bg1 n ASN 90 N 3.00 -2.13 0.00 -0.19 3.02 -1.26 -2.94 115.26 114.76 3bg1 n ASN 90 Ca 0.20 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 3bg1 n ASN 90 Cb 0.40 -1.00 0.00 0.00 -0.61 0.00 0.00 39.78 38.57 3bg1 n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bg1 n GLY 91 N -1.56 0.40 3.58 7.41 0.00 -1.26 -5.00 105.19 108.76 3bg1 n GLY 91 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 3bg1 n GLY 91 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bg1 s THR 92 N -2.00 3.83 -1.28 2.61 2.01 -1.15 -4.89 115.64 114.77 3bg1 s THR 92 Ca 0.00 -1.40 -0.16 0.00 0.31 0.00 0.00 61.69 60.43 3bg1 s THR 92 Cb 0.00 -4.88 0.10 0.00 0.01 0.00 0.00 72.50 67.73 3bg1 s THR 92 CO 0.00 -1.52 1.68 0.79 -0.69 0.00 0.00 174.62 174.88 3bg1 n TRP 93 N 11.34 4.66 -4.12 4.92 7.02 -1.26 -2.22 117.44 137.78 3bg1 n TRP 93 Ca 0.47 -3.00 -0.22 0.00 -1.02 0.00 0.00 57.50 53.72 3bg1 n TRP 93 Cb 0.46 -2.49 -0.06 0.00 -2.42 0.00 0.00 31.31 26.81 3bg1 n TRP 93 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 3bg1 s GLU 94 N 3.30 2.57 -0.18 -0.99 2.02 -1.24 -4.95 118.70 119.24 3bg1 s GLU 94 Ca 0.50 -1.32 -0.20 0.00 0.02 0.00 0.00 54.97 53.98 3bg1 s GLU 94 Cb 0.03 -2.34 -0.03 0.00 0.10 0.00 0.00 34.13 31.89 3bg1 s GLU 94 CO 0.05 0.28 0.56 -1.59 0.02 0.00 0.00 175.26 174.58 3bg1 s LYS 95 N -3.81 4.24 0.18 1.61 -2.85 -1.26 -1.42 119.74 116.42 3bg1 s LYS 95 Ca 0.35 0.52 0.23 0.00 -1.00 0.00 0.00 55.97 56.07 3bg1 s LYS 95 Cb -0.06 -3.54 0.12 0.00 -2.06 0.00 0.00 37.83 32.29 3bg1 s LYS 95 CO 0.23 -0.12 1.15 0.66 0.10 0.00 0.00 175.35 177.37 3bg1 h SER 96 N 7.32 0.00 -5.01 0.03 4.64 -1.83 -3.47 113.55 115.23 3bg1 h SER 96 Ca -0.34 -0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 60.83 3bg1 h SER 96 Cb 1.16 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.08 3bg1 h SER 96 CO 0.75 0.04 0.06 -2.28 -0.87 0.00 0.00 176.83 174.54 3bg1 s HIS 97 N -3.29 -0.47 0.07 4.77 5.65 -1.23 -5.00 115.29 115.78 3bg1 s HIS 97 Ca 0.02 0.63 0.01 0.00 0.25 0.00 0.00 55.06 55.97 3bg1 s HIS 97 Cb 0.11 0.35 -0.03 0.00 -1.18 0.00 0.00 32.58 31.82 3bg1 s HIS 97 CO 0.76 -0.62 -0.06 -2.00 -0.65 0.00 0.00 174.74 172.18 3bg1 s GLU 98 N -2.05 0.65 -0.23 2.88 2.12 -1.26 -2.31 118.70 118.50 3bg1 s GLU 98 Ca -0.07 -1.09 -0.04 0.00 0.36 0.00 0.00 54.97 54.13 3bg1 s GLU 98 Cb -0.01 -0.11 0.12 0.00 0.26 0.00 0.00 34.13 34.39 3bg1 s GLU 98 CO 0.02 -0.02 0.43 -1.58 -0.54 0.00 0.00 175.26 173.56 3bg1 s HIS 99 N -2.87 -0.93 -0.59 5.30 5.65 -0.68 -5.01 115.29 116.16 3bg1 s HIS 99 Ca 0.02 1.26 0.04 0.00 0.25 0.00 0.00 55.06 56.63 3bg1 s HIS 99 Cb 0.00 0.23 0.37 0.00 -1.18 0.00 0.00 32.58 32.00 3bg1 s HIS 99 CO -0.04 -0.64 1.21 0.00 -0.65 0.00 0.00 174.74 174.62 3bg1 n ALA 100 N 5.39 5.17 1.78 1.58 0.00 -1.26 -1.45 120.51 131.71 3bg1 n ALA 100 Ca -0.06 -4.48 0.16 0.00 0.00 0.00 0.00 53.44 49.06 3bg1 n ALA 100 Cb 0.50 -0.92 0.86 0.00 0.00 0.00 0.00 19.45 19.90 3bg1 n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bg1 n GLY 101 N -0.36 -1.06 3.47 0.00 0.00 -1.26 -4.84 105.19 101.13 3bg1 n GLY 101 Ca 0.38 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 3bg1 n GLY 101 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bg1 s HIS 102 N -2.20 2.50 0.07 1.61 3.76 -1.26 -5.05 115.29 114.72 3bg1 s HIS 102 Ca 0.41 -0.28 0.07 0.00 -0.15 0.00 0.00 55.06 55.11 3bg1 s HIS 102 Cb 0.21 -1.35 -0.22 0.00 1.11 0.00 0.00 32.58 32.34 3bg1 s HIS 102 CO 0.40 0.36 1.11 -0.44 -0.85 0.00 0.00 174.74 175.32 3bg1 h ASP 103 N 3.86 0.04 -1.55 1.40 3.32 -1.88 -3.46 116.42 118.15 3bg1 h ASP 103 Ca -0.50 -0.05 -0.54 0.00 0.02 0.00 0.00 57.03 55.96 3bg1 h ASP 103 Cb 1.17 -0.01 -0.06 0.00 0.22 0.00 0.00 39.33 40.64 3bg1 h ASP 103 CO 0.45 1.04 -0.45 -0.44 -1.72 0.00 0.00 179.24 178.13 3bg1 s SER 104 N -6.60 4.67 0.94 6.45 0.01 -1.26 -4.91 113.70 112.99 3bg1 s SER 104 Ca -0.01 -0.95 -0.15 0.00 1.31 0.00 0.00 55.95 56.15 3bg1 s SER 104 Cb 0.09 -0.50 -0.06 0.00 0.21 0.00 0.00 66.02 65.76 3bg1 s SER 104 CO 0.83 -0.59 -0.15 -1.54 0.41 0.00 0.00 173.24 172.20 3bg1 n SER 105 N -1.37 -3.85 -4.03 2.44 3.41 -1.26 -4.24 113.62 104.72 3bg1 n SER 105 Ca 0.01 0.30 -0.34 0.00 -0.26 0.00 0.00 58.87 58.58 3bg1 n SER 105 Cb 0.63 -0.99 -0.12 0.00 -0.26 0.00 0.00 64.21 63.47 3bg1 n SER 105 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3bg1 s VAL 106 N -2.17 3.16 0.56 -3.33 1.01 -0.09 0.69 120.40 120.23 3bg1 s VAL 106 Ca 0.50 -3.03 0.27 0.00 0.00 0.00 0.00 61.98 59.72 3bg1 s VAL 106 Cb -0.22 -3.12 0.38 0.00 0.00 0.00 0.00 36.38 33.42 3bg1 s VAL 106 CO 0.74 -0.82 2.00 0.78 0.00 0.00 0.00 175.10 177.79 3bg1 h ASN 107 N 6.90 0.00 -4.97 3.32 2.35 -1.68 -3.30 115.58 118.19 3bg1 h ASN 107 Ca -0.05 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 3bg1 h ASN 107 Cb 0.94 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 39.18 3bg1 h ASN 107 CO 0.69 0.00 0.23 -0.55 -1.65 0.00 0.00 177.43 176.15 3bg1 s SER 108 N -5.82 -0.56 0.11 5.81 0.15 -1.16 -4.26 113.70 107.97 3bg1 s SER 108 Ca -0.05 0.04 -0.02 0.00 0.70 0.00 0.00 55.95 56.62 3bg1 s SER 108 Cb 0.17 0.58 -0.04 0.00 -1.71 0.00 0.00 66.02 65.03 3bg1 s SER 108 CO 0.63 -0.93 0.06 -0.69 1.20 0.00 0.00 173.24 173.51 3bg1 s VAL 109 N -3.58 0.13 -0.14 4.45 1.01 -1.26 -1.84 120.40 119.17 3bg1 s VAL 109 Ca 0.01 -1.82 -0.30 0.00 0.00 0.00 0.00 61.98 59.87 3bg1 s VAL 109 Cb -0.01 -1.88 0.13 0.00 0.00 0.00 0.00 36.38 34.62 3bg1 s VAL 109 CO -0.12 -0.58 1.04 0.00 0.00 0.00 0.00 175.10 175.45 3bg1 s TRP 111 N -1.69 3.20 0.39 0.00 0.52 -1.26 -0.84 118.94 119.27 3bg1 s TRP 111 Ca 0.02 0.14 -0.24 0.00 0.02 0.00 0.00 56.10 56.05 3bg1 s TRP 111 Cb -0.01 -1.70 -0.09 0.00 -1.15 0.00 0.00 33.47 30.52 3bg1 s TRP 111 CO -0.02 0.52 1.02 0.00 0.02 0.00 0.00 176.95 178.48 3bg1 s ALA 112 N -1.20 3.09 0.02 0.98 0.00 0.03 -4.76 121.76 119.93 3bg1 s ALA 112 Ca 0.23 0.62 -0.39 0.00 0.00 0.00 0.00 51.96 52.42 3bg1 s ALA 112 Cb -0.12 -3.24 -0.19 0.00 0.00 0.00 0.00 23.12 19.58 3bg1 s ALA 112 CO 0.14 -0.10 1.19 -2.30 0.00 0.00 0.00 175.76 174.69 3bg1 n PRO 113 N -0.09 0.44 0.31 0.00 -0.02 -1.26 -4.67 135.00 129.71 3bg1 n PRO 113 Ca 0.05 0.16 0.01 0.00 -2.02 0.00 0.00 63.50 61.70 3bg1 n PRO 113 Cb 0.50 -1.71 0.07 0.00 -0.02 0.00 0.00 33.50 32.34 3bg1 n PRO 113 CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 3bg1 h HIS 114 N 3.65 0.00 0.06 6.00 2.07 -1.91 -1.75 115.15 123.27 3bg1 h HIS 114 Ca -0.50 0.00 -0.27 0.00 -2.85 0.00 0.00 60.37 56.76 3bg1 h HIS 114 Cb 1.39 0.00 0.02 0.00 2.57 0.00 0.00 27.41 31.39 3bg1 h HIS 114 CO 0.58 0.00 -1.11 -0.44 -3.07 0.00 0.00 177.93 173.89 3bg1 h ASP 115 N 0.00 0.71 -0.12 3.10 3.32 -2.01 -3.17 116.42 118.25 3bg1 h ASP 115 Ca 0.00 -0.63 0.04 0.00 0.02 0.00 0.00 57.03 56.46 3bg1 h ASP 115 Cb 1.83 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 41.15 3bg1 h ASP 115 CO 0.00 1.44 0.14 1.88 -1.72 0.00 0.00 179.24 180.98 3bg1 h TYR 116 N 0.26 0.00 0.00 4.55 0.99 -1.64 -3.48 116.97 117.66 3bg1 h TYR 116 Ca -0.14 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.59 3bg1 h TYR 116 Cb 1.77 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.50 3bg1 h TYR 116 CO 0.09 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.66 3bg1 n GLY 117 N -1.37 0.32 2.50 3.88 0.00 -1.20 -4.87 105.19 104.45 3bg1 n GLY 117 Ca 0.00 -1.44 -0.27 0.00 0.00 0.00 0.00 46.02 44.31 3bg1 n GLY 117 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3bg1 n LEU 118 N 0.00 3.21 -4.77 0.99 7.94 -1.26 -4.52 117.00 118.59 3bg1 n LEU 118 Ca 0.00 -5.31 -0.36 0.00 -1.11 0.00 0.00 56.01 49.23 3bg1 n LEU 118 Cb 0.00 -0.55 -0.08 0.00 0.53 0.00 0.00 43.42 43.33 3bg1 n LEU 118 CO 0.00 1.99 -0.24 -0.63 -1.11 0.00 0.00 177.39 177.40 3bg1 s ILE 119 N -2.10 4.93 -0.09 1.96 1.01 -1.26 -3.30 121.20 122.34 3bg1 s ILE 119 Ca 0.36 -0.01 0.04 0.00 0.00 0.00 0.00 60.65 61.04 3bg1 s ILE 119 Cb 0.11 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.45 3bg1 s ILE 119 CO -0.06 0.60 -0.23 -0.22 0.00 0.00 0.00 174.94 175.03 3bg1 s LEU 120 N -0.81 2.04 -0.15 2.97 2.96 0.39 -0.79 118.68 125.29 3bg1 s LEU 120 Ca 0.13 -0.53 -0.04 0.00 -0.22 0.00 0.00 54.13 53.47 3bg1 s LEU 120 Cb -0.12 -1.34 -0.03 0.00 0.50 0.00 0.00 46.19 45.20 3bg1 s LEU 120 CO 0.03 0.15 -0.01 0.00 -1.32 0.00 0.00 176.35 175.20 3bg1 s ALA 121 N 0.35 3.14 -0.07 5.97 0.00 -0.02 -1.04 121.76 130.08 3bg1 s ALA 121 Ca -0.18 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.00 3bg1 s ALA 121 Cb -0.18 -1.63 0.02 0.00 0.00 0.00 0.00 23.12 21.34 3bg1 s ALA 121 CO 0.08 0.27 -0.08 0.00 0.00 0.00 0.00 175.76 176.02 3bg1 s GLY 123 N 1.04 1.74 0.14 0.00 0.00 -0.76 -0.83 107.32 108.65 3bg1 s GLY 123 Ca -0.08 -1.02 -0.00 0.00 0.00 0.00 0.00 44.72 43.62 3bg1 s GLY 123 CO -0.00 0.31 0.19 -1.14 0.00 0.00 0.00 173.10 172.46 3bg1 n SER 124 N 4.40 0.21 -0.23 1.64 3.41 -1.10 -2.39 113.62 119.57 3bg1 n SER 124 Ca -0.17 -1.19 0.09 0.00 -0.26 0.00 0.00 58.87 57.34 3bg1 n SER 124 Cb 0.52 -0.13 -0.05 0.00 -0.26 0.00 0.00 64.21 64.29 3bg1 n SER 124 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3bg1 n SER 125 N -3.01 1.35 -0.05 4.04 2.88 0.22 -0.59 113.62 118.45 3bg1 n SER 125 Ca 0.03 -1.17 0.15 0.00 -1.33 0.00 0.00 58.87 56.54 3bg1 n SER 125 Cb 0.11 0.71 0.69 0.00 -0.75 0.00 0.00 64.21 64.97 3bg1 n SER 125 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3bg1 n ASP 126 N -0.69 0.22 0.00 -3.46 5.68 -1.26 -3.84 116.55 113.20 3bg1 n ASP 126 Ca 0.06 -0.37 0.00 0.00 -0.50 0.00 0.00 54.79 53.98 3bg1 n ASP 126 Cb 0.34 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 3bg1 n ASP 126 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bg1 n GLY 127 N 1.28 1.25 0.80 6.12 0.00 -1.26 -4.65 105.19 108.73 3bg1 n GLY 127 Ca 0.14 -0.26 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 3bg1 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bg1 n ALA 128 N -1.09 0.13 -3.15 4.61 0.00 -1.26 0.67 120.51 120.42 3bg1 n ALA 128 Ca 0.00 -0.49 0.04 0.00 0.00 0.00 0.00 53.44 52.99 3bg1 n ALA 128 Cb 0.07 0.24 -0.01 0.00 0.00 0.00 0.00 19.45 19.76 3bg1 n ALA 128 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3bg1 s ILE 129 N -1.09 -0.94 0.34 0.00 1.01 -0.70 -2.71 121.20 117.12 3bg1 s ILE 129 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.68 3bg1 s ILE 129 Cb -0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 3bg1 s ILE 129 CO 0.02 0.00 0.55 -0.94 0.00 0.00 0.00 174.94 174.56 3bg1 s SER 130 N 2.87 6.30 -0.32 3.58 1.04 -0.01 -0.92 113.70 126.24 3bg1 s SER 130 Ca 0.19 0.47 -0.02 0.00 0.48 0.00 0.00 55.95 57.07 3bg1 s SER 130 Cb -0.14 -2.04 0.12 0.00 0.10 0.00 0.00 66.02 64.06 3bg1 s SER 130 CO -0.21 -0.29 0.19 -0.76 0.98 0.00 0.00 173.24 173.16 3bg1 s LEU 131 N -4.25 0.64 -0.37 2.42 1.43 -1.07 -1.32 118.68 116.16 3bg1 s LEU 131 Ca 0.40 -1.67 -0.29 0.00 -1.03 0.00 0.00 54.13 51.55 3bg1 s LEU 131 Cb -0.10 -0.26 0.02 0.00 0.03 0.00 0.00 46.19 45.89 3bg1 s LEU 131 CO 0.36 -0.37 1.12 -0.76 0.23 0.00 0.00 176.35 176.93 3bg1 s LEU 132 N 1.63 3.82 0.16 1.79 1.43 -0.21 -3.24 118.68 124.06 3bg1 s LEU 132 Ca 0.13 0.86 0.03 0.00 -1.03 0.00 0.00 54.13 54.13 3bg1 s LEU 132 Cb -0.19 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 3bg1 s LEU 132 CO -0.18 -1.03 0.26 -0.89 0.23 0.00 0.00 176.35 174.74 3bg1 s THR 133 N 4.01 5.15 0.05 5.49 2.01 -1.01 -0.47 115.64 130.88 3bg1 s THR 133 Ca 0.47 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.72 3bg1 s THR 133 Cb -0.11 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 3bg1 s THR 133 CO 0.22 -0.11 0.04 -0.47 -0.69 0.00 0.00 174.62 173.61 3bg1 s TYR 134 N -1.76 3.12 0.00 4.92 5.04 -1.21 -3.16 117.35 124.31 3bg1 s TYR 134 Ca 0.34 0.07 0.00 0.00 -2.44 0.00 0.00 57.07 55.04 3bg1 s TYR 134 Cb -0.11 -1.63 0.00 0.00 0.35 0.00 0.00 41.96 40.57 3bg1 s TYR 134 CO 0.27 0.50 0.00 2.41 -1.34 0.00 0.00 175.55 177.39 3bg1 n THR 135 N 0.85 0.00 0.04 4.34 -1.04 -1.04 -4.89 114.28 112.53 3bg1 n THR 135 Ca -0.11 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.76 3bg1 n THR 135 Cb 0.52 -0.19 -0.07 0.00 -1.82 0.00 0.00 70.33 68.77 3bg1 n THR 135 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3bg1 h GLY 136 N 0.00 -0.79 0.00 3.41 0.00 -2.00 -3.45 103.07 100.24 3bg1 h GLY 136 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.85 3bg1 h GLY 136 CO 0.00 -0.24 0.00 1.18 0.00 0.00 0.00 176.54 177.48 3bg1 n GLU 137 N -5.45 3.76 -0.55 4.80 -0.58 -1.26 -4.92 120.64 116.44 3bg1 n GLU 137 Ca -0.05 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.65 3bg1 n GLU 137 Cb 0.37 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.19 3bg1 n GLU 137 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3bg1 n GLY 138 N 5.00 2.27 3.46 0.62 0.00 -1.26 -4.80 105.19 110.47 3bg1 n GLY 138 Ca 0.00 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 3bg1 n GLY 138 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bg1 s GLN 139 N 0.84 2.20 -0.15 1.61 -0.21 -1.26 -5.03 119.66 117.65 3bg1 s GLN 139 Ca 0.21 -0.90 -0.04 0.00 0.02 0.00 0.00 55.36 54.66 3bg1 s GLN 139 Cb 0.10 -2.24 0.07 0.00 1.00 0.00 0.00 33.01 31.94 3bg1 s GLN 139 CO 0.00 0.56 0.16 -1.58 -2.12 0.00 0.00 175.29 172.32 3bg1 s TRP 140 N -0.86 -0.12 0.47 0.91 0.52 -1.26 -2.51 118.94 116.10 3bg1 s TRP 140 Ca 0.14 0.21 -0.16 0.00 0.02 0.00 0.00 56.10 56.30 3bg1 s TRP 140 Cb -0.10 -0.42 -0.08 0.00 -1.15 0.00 0.00 33.47 31.71 3bg1 s TRP 140 CO 0.04 -0.46 0.93 -1.21 0.02 0.00 0.00 176.95 176.27 3bg1 s GLU 141 N 2.26 3.98 -0.50 4.98 2.02 -1.19 -4.90 118.70 125.35 3bg1 s GLU 141 Ca 0.04 0.90 0.05 0.00 0.02 0.00 0.00 54.97 55.99 3bg1 s GLU 141 Cb -0.15 -2.20 0.20 0.00 0.10 0.00 0.00 34.13 32.09 3bg1 s GLU 141 CO -0.09 -0.16 0.48 0.28 0.02 0.00 0.00 175.26 175.78 3bg1 n VAL 142 N -1.28 0.06 -1.78 2.63 0.31 -1.26 -2.41 118.33 114.60 3bg1 n VAL 142 Ca 0.06 -4.15 -0.43 0.00 -0.01 0.00 0.00 64.34 59.82 3bg1 n VAL 142 Cb 0.54 -1.91 -0.03 0.00 -0.91 0.00 0.00 33.84 31.53 3bg1 n VAL 142 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3bg1 s LYS 143 N -0.95 3.54 0.12 5.55 1.02 -1.20 -4.70 119.74 123.12 3bg1 s LYS 143 Ca 0.33 2.02 0.04 0.00 0.02 0.00 0.00 55.97 58.38 3bg1 s LYS 143 Cb 0.07 -4.23 -0.04 0.00 -0.52 0.00 0.00 37.83 33.11 3bg1 s LYS 143 CO -0.14 -1.63 0.13 0.21 -0.92 0.00 0.00 175.35 173.00 3bg1 s LYS 144 N 5.45 2.96 -0.34 1.68 2.20 -1.26 -2.58 119.74 127.85 3bg1 s LYS 144 Ca 0.89 -0.75 0.03 0.00 -0.36 0.00 0.00 55.97 55.78 3bg1 s LYS 144 Cb -0.32 -2.73 0.10 0.00 -1.51 0.00 0.00 37.83 33.37 3bg1 s LYS 144 CO 0.35 0.53 0.06 0.42 -0.36 0.00 0.00 175.35 176.35 3bg1 s ILE 145 N -1.59 2.12 0.52 5.43 1.01 -0.10 -4.98 121.20 123.61 3bg1 s ILE 145 Ca 0.31 -2.27 -0.17 0.00 0.00 0.00 0.00 60.65 58.52 3bg1 s ILE 145 Cb -0.11 -2.57 -0.07 0.00 0.01 0.00 0.00 42.46 39.72 3bg1 s ILE 145 CO 0.23 -0.62 1.01 0.20 0.00 0.00 0.00 174.94 175.76 3bg1 s ASN 146 N 0.95 6.40 -1.50 3.58 0.01 -1.26 -1.71 114.94 121.40 3bg1 s ASN 146 Ca 0.11 1.68 -0.01 0.00 -0.71 0.00 0.00 52.86 53.93 3bg1 s ASN 146 Cb -0.19 -2.52 0.01 0.00 0.41 0.00 0.00 41.25 38.96 3bg1 s ASN 146 CO -0.10 -0.74 0.22 0.59 -1.51 0.00 0.00 177.10 175.56 3bg1 n ASN 147 N -1.55 0.24 -0.04 -1.22 4.13 -0.94 -4.87 115.26 111.02 3bg1 n ASN 147 Ca 0.07 -1.15 -0.17 0.00 1.68 0.00 0.00 54.58 55.02 3bg1 n ASN 147 Cb 0.54 -2.26 -0.06 0.00 -1.54 0.00 0.00 39.78 36.45 3bg1 n ASN 147 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3bg1 h ALA 148 N 0.82 0.35 -2.85 5.41 0.00 0.10 -3.45 119.26 119.64 3bg1 h ALA 148 Ca -0.64 -0.58 -0.46 0.00 0.00 0.00 0.00 54.91 53.23 3bg1 h ALA 148 Cb 1.39 -0.03 -0.18 0.00 0.00 0.00 0.00 17.79 18.97 3bg1 h ALA 148 CO 0.68 0.68 -0.77 -1.01 0.00 0.00 0.00 179.25 178.84 3bg1 s HIS 149 N -3.85 1.59 0.02 0.00 3.76 -1.20 -4.99 115.29 110.62 3bg1 s HIS 149 Ca -0.10 -0.53 -0.25 0.00 -0.15 0.00 0.00 55.06 54.03 3bg1 s HIS 149 Cb 0.09 -0.81 -0.17 0.00 1.11 0.00 0.00 32.58 32.80 3bg1 s HIS 149 CO 0.90 0.23 1.38 1.15 -0.85 0.00 0.00 174.74 177.56 3bg1 h THR 150 N 3.33 0.96 -0.04 1.30 2.02 -1.89 -3.35 112.91 115.23 3bg1 h THR 150 Ca -0.41 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.18 3bg1 h THR 150 Cb 1.20 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 3bg1 h THR 150 CO 0.52 0.14 0.00 -0.38 0.37 0.00 0.00 175.52 176.16 3bg1 n ILE 151 N -5.05 0.04 0.00 3.11 5.41 -1.26 -4.87 119.36 116.73 3bg1 n ILE 151 Ca -0.09 -0.52 0.00 0.00 1.00 0.00 0.00 62.75 63.14 3bg1 n ILE 151 Cb 0.21 1.33 0.00 0.00 -0.71 0.00 0.00 39.64 40.47 3bg1 n ILE 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3bg1 n GLY 152 N 0.97 1.02 3.12 7.39 0.00 -1.25 -4.66 105.19 111.78 3bg1 n GLY 152 Ca 0.10 -1.96 -0.20 0.00 0.00 0.00 0.00 46.02 43.97 3bg1 n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bg1 n ASN 154 N 2.10 3.83 -4.47 0.00 3.02 -1.15 -4.35 115.26 114.24 3bg1 n ASN 154 Ca -0.17 -0.01 -0.29 0.00 -0.03 0.00 0.00 54.58 54.07 3bg1 n ASN 154 Cb 0.55 -0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.60 3bg1 n ASN 154 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3bg1 s ALA 155 N -2.06 2.63 -0.20 5.41 0.00 -1.16 -4.06 121.76 122.32 3bg1 s ALA 155 Ca -0.04 -1.36 -0.04 0.00 0.00 0.00 0.00 51.96 50.52 3bg1 s ALA 155 Cb 0.01 -0.61 0.10 0.00 0.00 0.00 0.00 23.12 22.62 3bg1 s ALA 155 CO 0.07 0.58 0.34 0.08 0.00 0.00 0.00 175.76 176.83 3bg1 s VAL 156 N -1.11 -0.53 0.01 0.00 1.01 -1.26 -2.82 120.40 115.69 3bg1 s VAL 156 Ca 0.17 0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.26 3bg1 s VAL 156 Cb -0.10 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 3bg1 s VAL 156 CO 0.09 -0.03 -0.13 -0.55 0.00 0.00 0.00 175.10 174.48 3bg1 s SER 157 N 2.50 1.56 0.08 3.32 0.15 -1.19 -4.63 113.70 115.49 3bg1 s SER 157 Ca 0.06 -0.33 -0.17 0.00 0.70 0.00 0.00 55.95 56.21 3bg1 s SER 157 Cb -0.14 -0.14 -0.07 0.00 -1.71 0.00 0.00 66.02 63.97 3bg1 s SER 157 CO -0.13 0.10 0.52 0.26 1.20 0.00 0.00 173.24 175.20 3bg1 s TRP 158 N -0.54 3.73 0.19 3.44 0.52 -1.26 -1.44 118.94 123.58 3bg1 s TRP 158 Ca 0.03 1.14 -0.30 0.00 0.02 0.00 0.00 56.10 56.99 3bg1 s TRP 158 Cb -0.06 -2.41 -0.08 0.00 -1.15 0.00 0.00 33.47 29.77 3bg1 s TRP 158 CO 0.00 0.55 1.03 0.00 0.02 0.00 0.00 176.95 178.56 3bg1 s ALA 159 N -1.21 3.34 0.30 0.98 0.00 -0.77 -4.64 121.76 119.76 3bg1 s ALA 159 Ca 0.30 0.72 -0.28 0.00 0.00 0.00 0.00 51.96 52.71 3bg1 s ALA 159 Cb -0.17 -3.30 -0.14 0.00 0.00 0.00 0.00 23.12 19.51 3bg1 s ALA 159 CO 0.18 -0.06 1.09 -0.35 0.00 0.00 0.00 175.76 176.61 3bg1 n PRO 160 N 2.12 1.57 -1.92 0.00 -0.04 -1.26 -4.76 135.00 130.70 3bg1 n PRO 160 Ca 0.01 0.55 -0.43 0.00 -0.04 0.00 0.00 63.50 63.59 3bg1 n PRO 160 Cb 0.47 -1.98 -0.03 0.00 -0.04 0.00 0.00 33.50 31.92 3bg1 n PRO 160 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3bg1 s ALA 161 N -1.06 3.10 -0.17 0.55 0.00 -1.26 -4.97 121.76 117.95 3bg1 s ALA 161 Ca 0.58 0.60 -0.00 0.00 0.00 0.00 0.00 51.96 53.13 3bg1 s ALA 161 Cb -0.66 -3.94 0.00 0.00 0.00 0.00 0.00 23.12 18.52 3bg1 s ALA 161 CO 0.61 -2.24 -0.14 0.08 0.00 0.00 0.00 175.76 174.06 3bg1 s VAL 162 N 6.17 2.69 0.15 0.00 1.01 -1.26 -5.09 120.40 124.07 3bg1 s VAL 162 Ca 0.82 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 3bg1 s VAL 162 Cb -0.28 -2.15 -0.07 0.00 0.00 0.00 0.00 36.38 33.88 3bg1 s VAL 162 CO 0.33 0.50 1.08 -0.69 0.00 0.00 0.00 175.10 176.33 3bg1 s VAL 163 N 0.97 4.04 0.00 2.92 1.01 -1.26 -4.51 120.40 123.58 3bg1 s VAL 163 Ca -0.02 1.70 0.00 0.00 0.00 0.00 0.00 61.98 63.66 3bg1 s VAL 163 Cb -0.15 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.15 3bg1 s VAL 163 CO -0.02 0.26 0.33 -0.81 0.00 0.00 0.00 175.10 174.86 3bg1 n PRO 164 N 2.67 0.00 -1.63 2.72 -0.04 -1.26 -5.10 135.00 132.36 3bg1 n PRO 164 Ca 0.03 0.04 -0.01 0.00 -0.04 0.00 0.00 63.50 63.52 3bg1 n PRO 164 Cb 0.47 -0.84 0.00 0.00 -0.04 0.00 0.00 33.50 33.09 3bg1 n PRO 164 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3bg1 n PRO 171 N -0.62 -0.16 0.00 0.54 -0.04 -1.26 -5.09 135.00 128.37 3bg1 n PRO 171 Ca 0.00 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 3bg1 n PRO 171 Cb 0.00 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 3bg1 n PRO 171 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3bg1 n SER 172 N -1.60 0.00 -4.45 3.54 3.41 -1.26 -5.07 113.62 108.19 3bg1 n SER 172 Ca -0.00 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.16 3bg1 n SER 172 Cb 0.51 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.45 3bg1 n SER 172 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3bg1 s GLY 173 N 0.00 2.35 -0.06 5.00 0.00 -1.26 -4.96 107.32 108.40 3bg1 s GLY 173 Ca 0.00 -3.27 -0.14 0.00 0.00 0.00 0.00 44.72 41.31 3bg1 s GLY 173 CO 0.00 2.00 0.34 -0.86 0.00 0.00 0.00 173.10 174.58 3bg1 s GLN 174 N 1.66 0.58 -0.34 2.90 -2.07 -1.26 -5.11 119.66 116.02 3bg1 s GLN 174 Ca 0.40 0.09 -0.18 0.00 -1.82 0.00 0.00 55.36 53.85 3bg1 s GLN 174 Cb -0.04 0.27 -0.01 0.00 -1.09 0.00 0.00 33.01 32.14 3bg1 s GLN 174 CO -0.02 -0.14 0.49 -1.59 -1.32 0.00 0.00 175.29 172.71 3bg1 s LYS 175 N -0.73 3.66 0.73 9.60 -2.85 -1.26 -5.03 119.74 123.86 3bg1 s LYS 175 Ca -0.08 -0.15 -0.17 0.00 -1.00 0.00 0.00 55.97 54.56 3bg1 s LYS 175 Cb -0.04 -3.79 -0.14 0.00 -2.06 0.00 0.00 37.83 31.80 3bg1 s LYS 175 CO 0.03 -0.60 -0.33 -0.35 0.10 0.00 0.00 175.35 174.20 3bg1 n PRO 176 N 5.67 0.02 -3.34 1.78 -0.04 -1.26 -4.95 135.00 132.89 3bg1 n PRO 176 Ca -0.05 0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 63.00 3bg1 n PRO 176 Cb 0.49 -1.09 -0.09 0.00 -0.04 0.00 0.00 33.50 32.77 3bg1 n PRO 176 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3bg1 s ASN 177 N -1.06 6.21 0.61 3.54 0.01 -1.26 -5.03 114.94 117.97 3bg1 s ASN 177 Ca 0.51 -0.35 -0.10 0.00 -0.71 0.00 0.00 52.86 52.21 3bg1 s ASN 177 Cb -0.35 -2.22 -0.03 0.00 0.41 0.00 0.00 41.25 39.06 3bg1 s ASN 177 CO 0.72 -0.45 1.00 -0.31 -1.51 0.00 0.00 177.10 176.55 3bg1 s TYR 178 N 2.14 3.55 -0.76 2.20 1.51 -1.26 -4.71 117.35 120.02 3bg1 s TYR 178 Ca 0.13 1.15 0.16 0.00 -1.01 0.00 0.00 57.07 57.50 3bg1 s TYR 178 Cb -0.16 -2.72 0.68 0.00 -0.11 0.00 0.00 41.96 39.64 3bg1 s TYR 178 CO 0.13 -0.73 1.48 -0.89 -1.11 0.00 0.00 175.55 174.43 3bg1 n ILE 179 N -2.72 1.12 -3.65 2.71 5.41 -1.26 -4.91 119.36 116.06 3bg1 n ILE 179 Ca 0.05 0.34 -0.21 0.00 1.00 0.00 0.00 62.75 63.93 3bg1 n ILE 179 Cb 0.55 -1.21 0.01 0.00 -0.71 0.00 0.00 39.64 38.28 3bg1 n ILE 179 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3bg1 n LYS 180 N -1.80 -0.69 -3.78 0.38 5.02 -1.26 -4.03 118.16 112.01 3bg1 n LYS 180 Ca 0.02 0.02 -0.21 0.00 -2.02 0.00 0.00 58.31 56.12 3bg1 n LYS 180 Cb 0.15 -0.99 -0.03 0.00 -0.02 0.00 0.00 35.03 34.14 3bg1 n LYS 180 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3bg1 s ARG 181 N -5.29 2.99 -0.30 1.97 0.52 -1.26 -2.31 118.95 115.27 3bg1 s ARG 181 Ca 0.16 -1.09 -0.12 0.00 -0.52 0.00 0.00 55.73 54.16 3bg1 s ARG 181 Cb -0.09 -2.66 0.15 0.00 0.52 0.00 0.00 34.95 32.87 3bg1 s ARG 181 CO 0.51 0.19 0.81 -0.59 0.02 0.00 0.00 175.30 176.24 3bg1 s PHE 182 N -2.19 -1.03 0.30 -0.53 -0.12 -1.15 -1.84 117.98 111.42 3bg1 s PHE 182 Ca 0.40 1.78 -0.05 0.00 -0.05 0.00 0.00 56.93 59.01 3bg1 s PHE 182 Cb -0.08 0.62 0.07 0.00 -0.63 0.00 0.00 43.02 43.00 3bg1 s PHE 182 CO 0.28 -0.51 0.33 0.00 -0.05 0.00 0.00 175.22 175.27 3bg1 n ALA 183 N 5.21 -0.66 0.00 1.99 0.00 -0.52 -2.55 120.51 123.97 3bg1 n ALA 183 Ca -0.11 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.88 3bg1 n ALA 183 Cb 0.51 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.93 3bg1 n ALA 183 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3bg1 n SER 184 N -3.36 0.00 -4.90 0.00 3.41 -0.71 -3.15 113.62 104.91 3bg1 n SER 184 Ca 0.04 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.42 3bg1 n SER 184 Cb 0.16 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.17 3bg1 n SER 184 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3bg1 s GLY 185 N 0.00 1.78 0.00 5.00 0.00 -1.13 -1.84 107.32 111.14 3bg1 s GLY 185 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.43 3bg1 s GLY 185 CO 0.00 -0.91 0.00 0.61 0.00 0.00 0.00 173.10 172.80 3bg1 n GLY 186 N -2.60 1.80 0.00 0.20 0.00 -1.21 -2.92 105.19 100.45 3bg1 n GLY 186 Ca 0.09 -0.91 0.13 0.00 0.00 0.00 0.00 46.02 45.34 3bg1 n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bg1 n ASP 188 N -1.27 0.76 0.00 0.00 5.75 -1.26 -4.53 116.55 116.00 3bg1 n ASP 188 Ca 0.13 -0.57 0.00 0.00 -0.01 0.00 0.00 54.79 54.34 3bg1 n ASP 188 Cb 0.21 0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 3bg1 n ASP 188 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3bg1 n ASN 189 N -1.12 0.00 -4.81 -1.12 3.02 -1.19 -4.96 115.26 105.09 3bg1 n ASN 189 Ca 0.08 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.25 3bg1 n ASN 189 Cb 0.34 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.45 3bg1 n ASN 189 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3bg1 s LEU 190 N 0.00 4.48 -0.78 3.41 1.43 -1.26 -4.19 118.68 121.77 3bg1 s LEU 190 Ca 0.00 1.12 -0.06 0.00 -1.03 0.00 0.00 54.13 54.16 3bg1 s LEU 190 Cb 0.00 -2.78 0.20 0.00 0.03 0.00 0.00 46.19 43.64 3bg1 s LEU 190 CO 0.00 0.25 0.66 -0.63 0.23 0.00 0.00 176.35 176.86 3bg1 s ILE 191 N -0.85 4.59 0.04 -0.59 1.01 -0.55 -3.33 121.20 121.52 3bg1 s ILE 191 Ca 0.27 -3.07 -0.30 0.00 0.00 0.00 0.00 60.65 57.55 3bg1 s ILE 191 Cb -0.18 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 3bg1 s ILE 191 CO 0.16 -0.99 1.08 -0.54 0.00 0.00 0.00 174.94 174.65 3bg1 s LYS 192 N -0.39 4.51 0.55 2.79 1.02 -0.76 -2.93 119.74 124.51 3bg1 s LYS 192 Ca 0.21 1.59 -0.05 0.00 0.02 0.00 0.00 55.97 57.74 3bg1 s LYS 192 Cb -0.14 -3.40 -0.01 0.00 -0.52 0.00 0.00 37.83 33.77 3bg1 s LYS 192 CO -0.07 -0.13 0.85 -0.51 -0.92 0.00 0.00 175.35 174.57 3bg1 s LEU 193 N 0.95 3.39 0.20 3.17 2.01 -0.08 -1.74 118.68 126.57 3bg1 s LEU 193 Ca 0.55 0.77 -0.05 0.00 0.01 0.00 0.00 54.13 55.41 3bg1 s LEU 193 Cb -0.25 -3.65 -0.03 0.00 0.01 0.00 0.00 46.19 42.27 3bg1 s LEU 193 CO 0.29 -0.88 0.22 0.26 1.01 0.00 0.00 176.35 177.26 3bg1 s TRP 194 N -2.88 0.82 -0.19 0.29 0.52 -1.06 -3.09 118.94 113.35 3bg1 s TRP 194 Ca 0.51 -1.11 -0.22 0.00 0.02 0.00 0.00 56.10 55.30 3bg1 s TRP 194 Cb -0.10 -0.30 0.06 0.00 -1.15 0.00 0.00 33.47 31.98 3bg1 s TRP 194 CO 0.45 -0.72 0.59 0.21 0.02 0.00 0.00 176.95 177.50 3bg1 s LYS 195 N -4.08 0.74 -0.69 4.98 2.20 -0.86 -2.92 119.74 119.12 3bg1 s LYS 195 Ca 0.30 0.70 -0.25 0.00 -0.36 0.00 0.00 55.97 56.35 3bg1 s LYS 195 Cb 0.05 0.36 0.05 0.00 -1.51 0.00 0.00 37.83 36.77 3bg1 s LYS 195 CO 0.08 -0.12 1.13 -2.00 -0.36 0.00 0.00 175.35 174.08 3bg1 s GLU 196 N 0.03 3.18 0.31 4.03 2.12 -0.98 -2.07 118.70 125.33 3bg1 s GLU 196 Ca -0.02 -0.46 -0.29 0.00 0.36 0.00 0.00 54.97 54.56 3bg1 s GLU 196 Cb -0.04 -4.18 -0.12 0.00 0.26 0.00 0.00 34.13 30.05 3bg1 s GLU 196 CO 0.02 -1.95 1.44 -1.91 -0.54 0.00 0.00 175.26 172.32 3bg1 n GLU 197 N 8.53 2.35 -0.47 4.30 4.07 -0.43 -4.83 120.64 134.15 3bg1 n GLU 197 Ca 0.00 0.83 0.42 0.00 -0.06 0.00 0.00 57.16 58.36 3bg1 n GLU 197 Cb 0.47 -2.51 0.73 0.00 -0.06 0.00 0.00 31.44 30.07 3bg1 n GLU 197 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 3bg1 h GLU 198 N 3.67 0.00 0.02 5.31 4.39 -1.94 0.53 114.58 126.57 3bg1 h GLU 198 Ca -0.47 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 58.98 3bg1 h GLU 198 Cb 1.26 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.92 3bg1 h GLU 198 CO 0.71 0.00 -1.05 0.38 -1.16 0.00 0.00 179.01 177.89 3bg1 h ASP 199 N 0.00 0.74 0.00 1.42 3.04 -2.02 -3.48 116.42 116.12 3bg1 h ASP 199 Ca 0.72 -0.61 0.00 0.00 -3.24 0.00 0.00 57.03 53.89 3bg1 h ASP 199 Cb 3.09 -0.23 0.00 0.00 -1.04 0.00 0.00 39.33 41.15 3bg1 h ASP 199 CO -0.01 1.42 0.00 0.61 -2.04 0.00 0.00 179.24 179.22 3bg1 n GLY 200 N 1.10 0.49 3.64 7.15 0.00 0.18 -5.16 105.19 112.59 3bg1 n GLY 200 Ca -0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 3bg1 n GLY 200 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3bg1 s GLN 201 N 0.00 2.26 0.32 1.61 0.00 -1.26 -4.83 119.66 117.76 3bg1 s GLN 201 Ca 0.00 -1.46 -0.14 0.00 -0.00 0.00 0.00 55.36 53.76 3bg1 s GLN 201 Cb 0.00 -2.13 -0.09 0.00 0.00 0.00 0.00 33.01 30.79 3bg1 s GLN 201 CO 0.00 0.34 0.72 -1.58 0.00 0.00 0.00 175.29 174.77 3bg1 s TRP 202 N -2.35 3.38 0.03 9.60 0.51 -1.26 -1.31 118.94 127.54 3bg1 s TRP 202 Ca 0.32 1.18 0.00 0.00 -2.12 0.00 0.00 56.10 55.48 3bg1 s TRP 202 Cb -0.06 -2.51 -0.03 0.00 -0.81 0.00 0.00 33.47 30.07 3bg1 s TRP 202 CO 0.20 0.11 -0.04 0.15 -0.51 0.00 0.00 176.95 176.85 3bg1 s LYS 203 N -2.99 0.44 -1.01 4.98 1.02 -0.88 -4.92 119.74 116.38 3bg1 s LYS 203 Ca 0.53 -0.81 -0.23 0.00 0.02 0.00 0.00 55.97 55.48 3bg1 s LYS 203 Cb -0.10 0.06 0.05 0.00 -0.52 0.00 0.00 37.83 37.32 3bg1 s LYS 203 CO 0.18 -0.05 1.44 -1.83 -0.92 0.00 0.00 175.35 174.17 3bg1 s GLU 204 N -2.17 3.59 0.39 1.68 -1.05 -1.26 -2.03 118.70 117.85 3bg1 s GLU 204 Ca -0.08 -1.13 0.18 0.00 -0.15 0.00 0.00 54.97 53.79 3bg1 s GLU 204 Cb -0.05 -5.34 1.10 0.00 -0.44 0.00 0.00 34.13 29.40 3bg1 s GLU 204 CO -0.03 -2.20 1.76 1.49 0.95 0.00 0.00 175.26 177.23 3bg1 h GLU 205 N 9.78 0.39 -2.27 -4.83 4.81 -1.85 -3.45 114.58 117.16 3bg1 h GLU 205 Ca 0.19 -0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.50 3bg1 h GLU 205 Cb 1.01 -0.09 -0.16 0.00 0.63 0.00 0.00 28.75 30.15 3bg1 h GLU 205 CO 1.42 0.26 0.48 -1.14 -0.73 0.00 0.00 179.01 179.30 3bg1 s GLN 206 N -5.51 0.83 0.23 1.92 0.74 -1.25 -5.00 119.66 111.61 3bg1 s GLN 206 Ca -0.09 -0.27 0.08 0.00 0.05 0.00 0.00 55.36 55.13 3bg1 s GLN 206 Cb 0.26 0.38 -0.04 0.00 1.10 0.00 0.00 33.01 34.71 3bg1 s GLN 206 CO 0.80 -0.36 0.05 0.15 -0.55 0.00 0.00 175.29 175.38 3bg1 s LYS 207 N -3.01 2.51 -0.30 1.67 1.02 -1.26 -0.90 119.74 119.47 3bg1 s LYS 207 Ca 0.04 -1.20 -0.03 0.00 0.02 0.00 0.00 55.97 54.80 3bg1 s LYS 207 Cb -0.01 -2.35 0.10 0.00 -0.52 0.00 0.00 37.83 35.06 3bg1 s LYS 207 CO -0.08 0.41 0.13 -0.51 -0.92 0.00 0.00 175.35 174.38 3bg1 s LEU 208 N -3.44 0.70 -0.70 3.17 1.43 -1.15 -4.92 118.68 113.77 3bg1 s LEU 208 Ca 0.30 -1.38 -0.09 0.00 -1.03 0.00 0.00 54.13 51.94 3bg1 s LEU 208 Cb -0.08 -0.39 0.18 0.00 0.03 0.00 0.00 46.19 45.93 3bg1 s LEU 208 CO 0.21 -0.43 0.58 -1.83 0.23 0.00 0.00 176.35 175.11 3bg1 s GLU 209 N 1.99 3.03 0.00 1.70 -1.05 -1.26 -1.48 118.70 121.63 3bg1 s GLU 209 Ca 0.10 -2.42 0.00 0.00 -0.15 0.00 0.00 54.97 52.50 3bg1 s GLU 209 Cb -0.17 -4.07 0.00 0.00 -0.44 0.00 0.00 34.13 29.45 3bg1 s GLU 209 CO -0.34 -1.23 0.00 0.00 0.95 0.00 0.00 175.26 174.64 3bg1 n ALA 210 N 3.86 1.47 -2.39 -0.84 0.00 -1.26 -5.04 120.51 116.31 3bg1 n ALA 210 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.14 3bg1 n ALA 210 Cb 0.42 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.81 3bg1 n ALA 210 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3bg1 s HIS 211 N -1.16 3.75 -1.28 0.00 3.76 -1.26 -4.98 115.29 114.12 3bg1 s HIS 211 Ca 0.00 1.18 0.28 0.00 -0.15 0.00 0.00 55.06 56.37 3bg1 s HIS 211 Cb 0.00 -2.48 1.12 0.00 1.11 0.00 0.00 32.58 32.33 3bg1 s HIS 211 CO 0.00 0.53 1.82 -1.13 -0.85 0.00 0.00 174.74 175.11 3bg1 n SER 212 N 2.04 0.27 -1.96 1.40 3.41 -1.26 -4.83 113.62 112.69 3bg1 n SER 212 Ca -0.10 -0.11 -0.07 0.00 -0.26 0.00 0.00 58.87 58.33 3bg1 n SER 212 Cb 0.51 -0.17 -0.01 0.00 -0.26 0.00 0.00 64.21 64.28 3bg1 n SER 212 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3bg1 n ASP 213 N -1.28 -0.72 -4.40 4.04 -0.08 -1.26 -4.96 116.55 107.89 3bg1 n ASP 213 Ca 0.10 -1.90 -0.55 0.00 -1.51 0.00 0.00 54.79 50.93 3bg1 n ASP 213 Cb 0.31 1.32 -0.06 0.00 2.34 0.00 0.00 41.12 45.02 3bg1 n ASP 213 CO 0.00 0.00 0.00 0.79 0.12 0.00 0.00 177.20 178.11 3bg1 n TRP 214 N -0.28 0.32 -2.97 -0.67 7.02 -1.26 -4.39 117.44 115.21 3bg1 n TRP 214 Ca -0.00 1.02 -0.40 0.00 -1.02 0.00 0.00 57.50 57.09 3bg1 n TRP 214 Cb 0.29 -2.02 -0.04 0.00 -2.42 0.00 0.00 31.31 27.11 3bg1 n TRP 214 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 3bg1 s VAL 215 N -0.28 4.95 -0.15 -0.99 1.01 -0.17 -1.48 120.40 123.29 3bg1 s VAL 215 Ca 0.82 1.60 -0.11 0.00 0.00 0.00 0.00 61.98 64.29 3bg1 s VAL 215 Cb -1.16 -4.11 -0.06 0.00 0.00 0.00 0.00 36.38 31.06 3bg1 s VAL 215 CO 0.56 0.26 -0.06 0.03 0.00 0.00 0.00 175.10 175.88 3bg1 h ARG 216 N 6.54 0.00 -4.52 2.72 2.47 0.04 -3.37 114.38 118.27 3bg1 h ARG 216 Ca -0.42 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.08 3bg1 h ARG 216 Cb 1.20 0.00 -0.18 0.00 -1.65 0.00 0.00 29.97 29.34 3bg1 h ARG 216 CO 0.74 0.20 -0.71 0.34 0.56 0.00 0.00 179.97 181.10 3bg1 s ASP 217 N -5.92 0.88 -0.13 7.04 2.15 -1.12 -3.95 116.67 115.63 3bg1 s ASP 217 Ca -0.15 -0.78 -0.04 0.00 0.43 0.00 0.00 52.55 52.01 3bg1 s ASP 217 Cb 0.02 0.08 0.05 0.00 -0.30 0.00 0.00 42.92 42.78 3bg1 s ASP 217 CO 0.27 -0.36 0.08 -0.69 -0.17 0.00 0.00 175.17 174.29 3bg1 s VAL 218 N -2.57 -0.08 -0.19 1.11 1.01 -1.26 -2.28 120.40 116.14 3bg1 s VAL 218 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.01 3bg1 s VAL 218 Cb -0.02 -0.44 0.01 0.00 0.00 0.00 0.00 36.38 35.93 3bg1 s VAL 218 CO -0.03 -0.12 -0.15 0.00 0.00 0.00 0.00 175.10 174.80 3bg1 s ALA 219 N 2.14 2.49 -1.08 5.51 0.00 0.75 -4.19 121.76 127.39 3bg1 s ALA 219 Ca 0.03 -1.19 -0.22 0.00 0.00 0.00 0.00 51.96 50.57 3bg1 s ALA 219 Cb -0.15 -1.34 0.00 0.00 0.00 0.00 0.00 23.12 21.63 3bg1 s ALA 219 CO -0.07 -0.36 1.73 -0.46 0.00 0.00 0.00 175.76 176.61 3bg1 s TRP 220 N 1.32 2.29 0.18 0.00 -0.00 -1.26 -1.23 118.94 120.24 3bg1 s TRP 220 Ca 0.05 -0.38 -0.29 0.00 -0.00 0.00 0.00 56.10 55.47 3bg1 s TRP 220 Cb -0.14 -4.41 -0.17 0.00 -0.00 0.00 0.00 33.47 28.75 3bg1 s TRP 220 CO -0.09 -1.72 0.58 0.00 -0.00 0.00 0.00 176.95 175.72 3bg1 n ALA 221 N 11.15 -2.89 -1.76 5.86 0.00 -1.21 -4.73 120.51 126.93 3bg1 n ALA 221 Ca 0.41 0.45 -0.40 0.00 0.00 0.00 0.00 53.44 53.90 3bg1 n ALA 221 Cb 0.48 -1.63 -0.05 0.00 0.00 0.00 0.00 19.45 18.24 3bg1 n ALA 221 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3bg1 s PRO 222 N -0.92 4.70 -0.24 0.00 0.04 -1.26 -4.63 135.00 132.69 3bg1 s PRO 222 Ca 0.66 1.62 -0.29 0.00 0.04 0.00 0.00 61.00 63.03 3bg1 s PRO 222 Cb -0.96 -3.16 0.01 0.00 0.04 0.00 0.00 34.50 30.43 3bg1 s PRO 222 CO 0.56 0.33 1.08 -1.54 0.04 0.00 0.00 177.00 177.47 3bg1 s SER 223 N -1.11 7.04 -1.01 6.66 1.04 -1.26 -4.88 113.70 120.19 3bg1 s SER 223 Ca 0.44 1.35 -0.07 0.00 0.48 0.00 0.00 55.95 58.15 3bg1 s SER 223 Cb -0.28 -2.54 -0.11 0.00 0.10 0.00 0.00 66.02 63.19 3bg1 s SER 223 CO 0.35 -0.73 2.74 2.30 0.98 0.00 0.00 173.24 178.88 3bg1 n ILE 224 N 5.45 3.30 0.00 -1.02 -5.35 -1.26 -4.45 119.36 116.02 3bg1 n ILE 224 Ca 0.12 -1.91 0.00 0.00 -0.27 0.00 0.00 62.75 60.70 3bg1 n ILE 224 Cb 0.46 -2.30 0.00 0.00 -1.74 0.00 0.00 39.64 36.06 3bg1 n ILE 224 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3bg1 n GLY 225 N 3.39 1.21 3.74 3.28 0.00 -1.26 -4.91 105.19 110.64 3bg1 n GLY 225 Ca 0.58 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.18 3bg1 n GLY 225 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3bg1 s LEU 226 N 0.00 4.38 0.20 0.99 1.98 -1.26 -4.95 118.68 120.01 3bg1 s LEU 226 Ca 0.00 2.70 0.24 0.00 -2.89 0.00 0.00 54.13 54.18 3bg1 s LEU 226 Cb 0.00 -3.62 0.91 0.00 0.66 0.00 0.00 46.19 44.14 3bg1 s LEU 226 CO 0.00 -0.77 1.74 -0.81 -1.89 0.00 0.00 176.35 174.62 3bg1 n PRO 227 N 2.73 0.19 -0.78 0.98 -0.04 -1.26 -4.40 135.00 132.42 3bg1 n PRO 227 Ca 0.09 0.28 -0.16 0.00 -0.04 0.00 0.00 63.50 63.68 3bg1 n PRO 227 Cb 0.39 -1.78 -0.08 0.00 -0.04 0.00 0.00 33.50 31.99 3bg1 n PRO 227 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3bg1 n THR 228 N -2.13 2.45 -1.53 0.52 -1.04 -1.26 -4.91 114.28 106.38 3bg1 n THR 228 Ca 0.04 -1.33 -0.53 0.00 -2.04 0.00 0.00 64.05 60.19 3bg1 n THR 228 Cb 0.32 -2.01 -0.06 0.00 -1.82 0.00 0.00 70.33 66.76 3bg1 n THR 228 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3bg1 n SER 229 N 3.16 0.52 -4.71 8.00 3.41 -1.26 -4.63 113.62 118.11 3bg1 n SER 229 Ca 0.40 1.14 -0.30 0.00 -0.26 0.00 0.00 58.87 59.85 3bg1 n SER 229 Cb 0.46 -1.06 -0.09 0.00 -0.26 0.00 0.00 64.21 63.26 3bg1 n SER 229 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3bg1 s THR 230 N -0.10 1.66 -0.28 6.66 2.01 -1.26 -2.76 115.64 121.58 3bg1 s THR 230 Ca 0.81 -1.94 -0.21 0.00 0.31 0.00 0.00 61.69 60.66 3bg1 s THR 230 Cb -1.04 -2.61 0.09 0.00 0.01 0.00 0.00 72.50 68.95 3bg1 s THR 230 CO 0.54 0.00 0.77 -0.63 -0.69 0.00 0.00 174.62 174.60 3bg1 s ILE 231 N -2.77 0.00 0.11 1.82 1.01 -1.15 -3.31 121.20 116.91 3bg1 s ILE 231 Ca 0.23 0.00 0.07 0.00 0.00 0.00 0.00 60.65 60.96 3bg1 s ILE 231 Cb 0.05 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 3bg1 s ILE 231 CO 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 174.94 174.95 3bg1 s ALA 232 N 0.95 2.93 -0.01 9.38 0.00 -0.37 -1.51 121.76 133.13 3bg1 s ALA 232 Ca -0.04 -1.27 -0.10 0.00 0.00 0.00 0.00 51.96 50.55 3bg1 s ALA 232 Cb -0.05 -0.86 0.01 0.00 0.00 0.00 0.00 23.12 22.22 3bg1 s ALA 232 CO -0.10 0.63 0.21 -1.54 0.00 0.00 0.00 175.76 174.96 3bg1 s SER 233 N -2.23 -0.07 0.00 0.00 1.04 -0.58 -0.17 113.70 111.68 3bg1 s SER 233 Ca 0.21 -0.04 -0.00 0.00 0.48 0.00 0.00 55.95 56.59 3bg1 s SER 233 Cb -0.11 0.27 -0.00 0.00 0.10 0.00 0.00 66.02 66.28 3bg1 s SER 233 CO 0.13 -0.37 0.00 0.00 0.98 0.00 0.00 173.24 173.99 3bg1 s SER 235 N -0.18 0.19 0.44 0.00 1.04 -1.20 0.76 113.70 114.75 3bg1 s SER 235 Ca -0.02 -1.29 0.29 0.00 0.48 0.00 0.00 55.95 55.41 3bg1 s SER 235 Cb -0.01 0.45 1.37 0.00 0.10 0.00 0.00 66.02 67.93 3bg1 s SER 235 CO -0.00 -0.95 1.67 1.56 0.98 0.00 0.00 173.24 176.50 3bg1 h GLN 236 N 2.48 0.14 0.00 4.02 1.08 -1.51 1.09 115.11 122.41 3bg1 h GLN 236 Ca -0.33 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 56.87 3bg1 h GLN 236 Cb 1.25 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.65 3bg1 h GLN 236 CO 0.47 0.10 -0.00 0.38 -0.95 0.00 0.00 178.83 178.82 3bg1 h ASP 237 N 0.15 0.00 -0.42 1.46 3.04 -1.86 -3.38 116.42 115.41 3bg1 h ASP 237 Ca 0.76 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.55 3bg1 h ASP 237 Cb 2.36 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.65 3bg1 h ASP 237 CO -0.34 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.47 3bg1 n GLY 238 N -1.03 0.85 3.36 7.15 0.00 0.38 -4.81 105.19 111.10 3bg1 n GLY 238 Ca -0.03 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.13 3bg1 n GLY 238 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bg1 s ARG 239 N -3.65 1.34 -0.13 1.61 0.52 -1.25 -0.60 118.95 116.79 3bg1 s ARG 239 Ca 0.00 -1.37 0.00 0.00 -0.52 0.00 0.00 55.73 53.84 3bg1 s ARG 239 Cb 0.00 -1.64 0.02 0.00 0.52 0.00 0.00 34.95 33.86 3bg1 s ARG 239 CO 0.00 0.36 -0.12 0.08 0.02 0.00 0.00 175.30 175.65 3bg1 s VAL 240 N -1.49 1.36 0.13 3.52 1.01 -0.58 -3.21 120.40 121.14 3bg1 s VAL 240 Ca 0.15 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.69 3bg1 s VAL 240 Cb -0.08 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 3bg1 s VAL 240 CO 0.07 0.42 -0.02 -0.36 0.00 0.00 0.00 175.10 175.21 3bg1 s PHE 241 N 1.52 2.89 -0.28 5.22 2.99 -0.44 0.91 117.98 130.78 3bg1 s PHE 241 Ca 0.04 -0.10 0.01 0.00 0.00 0.00 0.00 56.93 56.88 3bg1 s PHE 241 Cb -0.13 -1.45 0.08 0.00 0.00 0.00 0.00 43.02 41.52 3bg1 s PHE 241 CO -0.09 0.48 0.02 0.42 -0.00 0.00 0.00 175.22 176.06 3bg1 s ILE 242 N -1.46 1.48 -0.63 0.64 1.01 -0.38 -1.53 121.20 120.33 3bg1 s ILE 242 Ca 0.26 -1.54 -0.24 0.00 0.00 0.00 0.00 60.65 59.12 3bg1 s ILE 242 Cb -0.11 -1.96 0.05 0.00 0.01 0.00 0.00 42.46 40.46 3bg1 s ILE 242 CO 0.18 -0.41 1.04 0.26 0.00 0.00 0.00 174.94 176.01 3bg1 s TRP 243 N 1.35 2.63 0.24 3.97 0.52 -0.57 -2.00 118.94 125.08 3bg1 s TRP 243 Ca 0.03 -0.19 -0.17 0.00 0.02 0.00 0.00 56.10 55.79 3bg1 s TRP 243 Cb -0.18 -4.31 -0.08 0.00 -1.15 0.00 0.00 33.47 27.75 3bg1 s TRP 243 CO -0.13 -1.64 0.70 0.99 0.02 0.00 0.00 176.95 176.90 3bg1 s THR 244 N 4.45 4.65 -0.13 2.01 2.01 -1.10 -2.91 115.64 124.61 3bg1 s THR 244 Ca 0.29 1.10 -0.06 0.00 0.31 0.00 0.00 61.69 63.33 3bg1 s THR 244 Cb -0.13 -3.76 0.06 0.00 0.01 0.00 0.00 72.50 68.68 3bg1 s THR 244 CO 0.15 0.09 0.29 0.00 -0.69 0.00 0.00 174.62 174.46 3bg1 s ASP 246 N 1.91 6.20 -1.27 0.00 1.01 -1.26 -4.14 116.67 119.12 3bg1 s ASP 246 Ca -0.04 -2.99 -0.19 0.00 0.71 0.00 0.00 52.55 50.04 3bg1 s ASP 246 Cb -0.11 -2.05 0.04 0.00 1.01 0.00 0.00 42.92 41.82 3bg1 s ASP 246 CO -0.09 -0.42 1.76 -0.62 0.21 0.00 0.00 175.17 176.01 3bg1 s ASP 247 N 1.24 6.54 -0.75 0.27 -1.08 -1.26 -4.76 116.67 116.87 3bg1 s ASP 247 Ca 0.20 -2.28 -0.08 0.00 -0.52 0.00 0.00 52.55 49.88 3bg1 s ASP 247 Cb -0.13 -2.58 -0.17 0.00 -1.46 0.00 0.00 42.92 38.58 3bg1 s ASP 247 CO -0.07 -1.49 3.28 0.00 0.52 0.00 0.00 175.17 177.41 3bg1 n ALA 248 N 9.37 6.91 -0.85 3.66 0.00 -1.26 -4.49 120.51 133.86 3bg1 n ALA 248 Ca 0.48 -2.66 0.00 0.00 0.00 0.00 0.00 53.44 51.25 3bg1 n ALA 248 Cb 0.46 -2.78 0.00 0.00 0.00 0.00 0.00 19.45 17.13 3bg1 n ALA 248 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3bg1 n SER 249 N 2.88 -0.16 -3.96 0.00 3.41 -1.26 -4.99 113.62 109.54 3bg1 n SER 249 Ca 0.59 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 59.02 3bg1 n SER 249 Cb 0.59 -0.82 -0.15 0.00 -0.26 0.00 0.00 64.21 63.57 3bg1 n SER 249 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3bg1 s SER 250 N -2.66 0.88 -0.60 4.04 0.15 -1.26 -5.09 113.70 109.17 3bg1 s SER 250 Ca 0.00 -0.13 -0.26 0.00 0.70 0.00 0.00 55.95 56.26 3bg1 s SER 250 Cb 0.00 -0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 64.06 3bg1 s SER 250 CO 0.00 0.05 2.06 0.20 1.20 0.00 0.00 173.24 176.75 3bg1 s ASN 251 N 0.16 4.94 -0.45 5.45 -0.87 -1.26 -4.56 114.94 118.36 3bg1 s ASN 251 Ca -0.02 0.50 0.02 0.00 -1.57 0.00 0.00 52.86 51.80 3bg1 s ASN 251 Cb -0.07 -2.52 0.14 0.00 -0.02 0.00 0.00 41.25 38.79 3bg1 s ASN 251 CO -0.00 -2.62 0.27 0.42 -2.57 0.00 0.00 177.10 172.60 3bg1 s THR 252 N 10.35 1.20 -0.47 1.60 -4.23 -1.26 -5.07 115.64 117.76 3bg1 s THR 252 Ca 0.78 -2.59 -0.16 0.00 -1.18 0.00 0.00 61.69 58.54 3bg1 s THR 252 Cb -0.14 -1.84 0.07 0.00 1.34 0.00 0.00 72.50 71.94 3bg1 s THR 252 CO 0.21 -0.97 0.42 0.26 -0.54 0.00 0.00 174.62 174.00 3bg1 s TRP 253 N 0.26 3.22 -0.50 3.99 0.52 -1.26 -4.25 118.94 120.93 3bg1 s TRP 253 Ca 0.20 -0.86 -0.17 0.00 0.02 0.00 0.00 56.10 55.29 3bg1 s TRP 253 Cb -0.19 -3.19 0.07 0.00 -1.15 0.00 0.00 33.47 29.01 3bg1 s TRP 253 CO -0.04 -0.82 0.53 -1.54 0.02 0.00 0.00 176.95 175.10 3bg1 s SER 254 N 2.57 6.19 0.59 2.95 1.04 -1.02 -4.92 113.70 121.09 3bg1 s SER 254 Ca 0.05 -1.12 -0.18 0.00 0.48 0.00 0.00 55.95 55.18 3bg1 s SER 254 Cb -0.23 -2.24 -0.04 0.00 0.10 0.00 0.00 66.02 63.61 3bg1 s SER 254 CO 0.07 -0.79 1.15 -2.16 0.98 0.00 0.00 173.24 172.49 3bg1 s PRO 255 N 2.19 3.09 -0.01 4.02 0.04 -1.26 -2.71 135.00 140.35 3bg1 s PRO 255 Ca 0.10 1.63 -0.00 0.00 0.04 0.00 0.00 61.00 62.77 3bg1 s PRO 255 Cb -0.22 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.37 3bg1 s PRO 255 CO 0.09 -1.07 0.03 0.21 0.04 0.00 0.00 177.00 176.30 3bg1 s LYS 256 N -3.49 -0.00 -0.15 4.56 2.20 -0.85 -4.95 119.74 117.06 3bg1 s LYS 256 Ca 0.73 0.11 -0.29 0.00 -0.36 0.00 0.00 55.97 56.15 3bg1 s LYS 256 Cb -0.25 -0.11 -0.00 0.00 -1.51 0.00 0.00 37.83 35.95 3bg1 s LYS 256 CO 0.32 -0.08 1.03 -1.17 -0.36 0.00 0.00 175.35 175.09 3bg1 s LEU 257 N 0.51 4.19 -0.10 5.43 2.96 -1.26 -1.25 118.68 129.17 3bg1 s LEU 257 Ca -0.04 1.49 -0.11 0.00 -0.22 0.00 0.00 54.13 55.25 3bg1 s LEU 257 Cb -0.06 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 42.99 3bg1 s LEU 257 CO -0.02 -0.54 0.34 0.25 -1.32 0.00 0.00 176.35 175.07 3bg1 h LEU 258 N 8.56 -0.05 -7.09 -0.68 5.85 0.17 -3.46 115.31 118.62 3bg1 h LEU 258 Ca -0.27 -0.31 0.30 0.00 0.84 0.00 0.00 57.88 58.43 3bg1 h LEU 258 Cb 1.12 0.01 -0.16 0.00 0.37 0.00 0.00 40.66 42.00 3bg1 h LEU 258 CO 0.90 0.60 0.84 -2.28 -0.34 0.00 0.00 178.44 178.16 3bg1 s HIS 259 N -2.03 -0.08 -0.05 1.25 5.04 -1.23 -4.86 115.29 113.34 3bg1 s HIS 259 Ca -0.07 0.01 0.02 0.00 -1.54 0.00 0.00 55.06 53.48 3bg1 s HIS 259 Cb -0.01 0.53 0.01 0.00 0.04 0.00 0.00 32.58 33.15 3bg1 s HIS 259 CO 0.25 -0.21 -0.08 0.21 -2.34 0.00 0.00 174.74 172.57 3bg1 s LYS 260 N -2.37 1.18 0.17 2.88 2.20 -1.25 -1.53 119.74 121.02 3bg1 s LYS 260 Ca 0.12 -0.26 0.07 0.00 -0.36 0.00 0.00 55.97 55.54 3bg1 s LYS 260 Cb 0.02 -1.06 -0.04 0.00 -1.51 0.00 0.00 37.83 35.24 3bg1 s LYS 260 CO -0.04 0.00 -0.02 -0.06 -0.36 0.00 0.00 175.35 174.87 3bg1 s PHE 261 N 0.67 2.82 -1.20 4.03 0.40 0.23 -4.99 117.98 119.93 3bg1 s PHE 261 Ca -0.11 -0.14 0.13 0.00 -0.60 0.00 0.00 56.93 56.21 3bg1 s PHE 261 Cb -0.14 -1.37 0.62 0.00 0.51 0.00 0.00 43.02 42.64 3bg1 s PHE 261 CO 0.02 0.51 1.39 0.27 0.70 0.00 0.00 175.22 178.11 3bg1 n ASN 262 N -0.06 0.00 -4.40 1.36 6.94 -1.26 -4.57 115.26 113.27 3bg1 n ASN 262 Ca -0.10 0.31 -0.24 0.00 -0.02 0.00 0.00 54.58 54.53 3bg1 n ASN 262 Cb 0.55 -0.40 -0.11 0.00 -2.36 0.00 0.00 39.78 37.46 3bg1 n ASN 262 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3bg1 s ASP 263 N -2.80 3.19 0.69 0.53 -1.08 -1.26 -4.99 116.67 110.96 3bg1 s ASP 263 Ca 0.09 -0.92 -0.17 0.00 -0.52 0.00 0.00 52.55 51.04 3bg1 s ASP 263 Cb 0.09 -0.23 -0.04 0.00 -1.46 0.00 0.00 42.92 41.28 3bg1 s ASP 263 CO 0.22 0.03 0.61 0.52 0.52 0.00 0.00 175.17 177.07 3bg1 n VAL 264 N -0.02 2.09 -4.54 1.11 0.31 -1.26 -4.36 118.33 111.65 3bg1 n VAL 264 Ca -0.10 -0.41 -0.33 0.00 -0.01 0.00 0.00 64.34 63.48 3bg1 n VAL 264 Cb 0.58 -0.80 -0.15 0.00 -0.91 0.00 0.00 33.84 32.56 3bg1 n VAL 264 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3bg1 s VAL 265 N -1.85 2.93 -0.12 2.52 1.01 -1.26 0.33 120.40 123.97 3bg1 s VAL 265 Ca 0.68 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 62.00 3bg1 s VAL 265 Cb -0.37 -2.25 -0.24 0.00 0.00 0.00 0.00 36.38 33.52 3bg1 s VAL 265 CO 0.56 0.51 0.38 0.79 0.00 0.00 0.00 175.10 177.33 3bg1 n TRP 266 N 3.93 0.94 -3.87 5.22 7.02 0.20 -4.31 117.44 126.56 3bg1 n TRP 266 Ca -0.19 0.25 -0.09 0.00 -1.02 0.00 0.00 57.50 56.45 3bg1 n TRP 266 Cb 0.52 -1.14 -0.08 0.00 -2.42 0.00 0.00 31.31 28.19 3bg1 n TRP 266 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 3bg1 s HIS 267 N -2.56 0.15 -0.09 -5.99 3.76 0.13 -4.45 115.29 106.23 3bg1 s HIS 267 Ca -0.17 -0.51 -0.04 0.00 -0.15 0.00 0.00 55.06 54.19 3bg1 s HIS 267 Cb 0.07 -0.07 0.05 0.00 1.11 0.00 0.00 32.58 33.73 3bg1 s HIS 267 CO 0.77 -0.49 0.21 0.08 -0.85 0.00 0.00 174.74 174.47 3bg1 s VAL 268 N -3.39 -0.10 0.03 -0.90 1.01 -1.26 -0.99 120.40 114.80 3bg1 s VAL 268 Ca 0.01 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.19 3bg1 s VAL 268 Cb 0.03 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 36.04 3bg1 s VAL 268 CO -0.08 0.08 -0.04 -0.55 0.00 0.00 0.00 175.10 174.50 3bg1 s SER 269 N 1.44 0.47 -0.17 3.32 0.15 -0.89 -4.62 113.70 113.41 3bg1 s SER 269 Ca -0.07 -0.59 -0.14 0.00 0.70 0.00 0.00 55.95 55.85 3bg1 s SER 269 Cb -0.11 0.09 -0.05 0.00 -1.71 0.00 0.00 66.02 64.25 3bg1 s SER 269 CO -0.08 -0.31 0.28 0.26 1.20 0.00 0.00 173.24 174.59 3bg1 s TRP 270 N -1.81 3.45 0.20 3.44 0.52 -1.26 -0.46 118.94 123.02 3bg1 s TRP 270 Ca -0.11 0.57 -0.27 0.00 0.02 0.00 0.00 56.10 56.31 3bg1 s TRP 270 Cb -0.07 -2.34 -0.08 0.00 -1.15 0.00 0.00 33.47 29.83 3bg1 s TRP 270 CO -0.02 0.22 0.84 -1.54 0.02 0.00 0.00 176.95 176.47 3bg1 s SER 271 N 0.51 7.47 0.24 2.95 1.04 0.12 -4.92 113.70 121.10 3bg1 s SER 271 Ca 0.16 1.75 -0.07 0.00 0.48 0.00 0.00 55.95 58.27 3bg1 s SER 271 Cb -0.13 -2.54 0.25 0.00 0.10 0.00 0.00 66.02 63.70 3bg1 s SER 271 CO 0.04 0.18 1.90 0.40 0.98 0.00 0.00 173.24 176.73 3bg1 h ILE 272 N 3.22 1.19 0.00 -1.02 2.04 -1.97 -2.58 117.51 118.39 3bg1 h ILE 272 Ca -0.46 -0.40 -0.20 0.00 1.00 0.00 0.00 64.86 64.80 3bg1 h ILE 272 Cb 1.20 -0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 3bg1 h ILE 272 CO 0.67 0.21 -1.42 0.41 0.00 0.00 0.00 178.15 178.02 3bg1 n THR 273 N -4.49 1.50 0.13 -0.27 -1.04 -1.26 -4.60 114.28 104.25 3bg1 n THR 273 Ca 0.11 -0.04 0.04 0.00 -2.04 0.00 0.00 64.05 62.11 3bg1 n THR 273 Cb 0.05 -2.14 0.03 0.00 -1.82 0.00 0.00 70.33 66.45 3bg1 n THR 273 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3bg1 h ALA 274 N -0.87 0.70 -1.35 2.41 0.00 -2.01 -3.48 119.26 114.67 3bg1 h ALA 274 Ca -0.30 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 3bg1 h ALA 274 Cb 1.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3bg1 h ALA 274 CO -0.18 0.56 -0.02 0.09 0.00 0.00 0.00 179.25 179.71 3bg1 n ASN 275 N -3.14 -2.08 -4.73 0.00 3.02 -0.97 -4.94 115.26 102.41 3bg1 n ASN 275 Ca 0.01 -0.01 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 3bg1 n ASN 275 Cb 0.72 -0.61 -0.05 0.00 -0.61 0.00 0.00 39.78 39.23 3bg1 n ASN 275 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3bg1 s ILE 276 N -3.01 4.67 -0.19 2.41 1.01 -1.22 -4.76 121.20 120.10 3bg1 s ILE 276 Ca 0.01 1.85 -0.13 0.00 0.00 0.00 0.00 60.65 62.38 3bg1 s ILE 276 Cb -0.00 -4.22 -0.05 0.00 0.01 0.00 0.00 42.46 38.20 3bg1 s ILE 276 CO 0.02 0.32 0.25 -0.22 0.00 0.00 0.00 174.94 175.31 3bg1 s LEU 277 N 0.12 4.20 -0.39 2.97 2.96 0.12 0.10 118.68 128.76 3bg1 s LEU 277 Ca 0.43 0.38 -0.18 0.00 -0.22 0.00 0.00 54.13 54.54 3bg1 s LEU 277 Cb -0.22 -2.29 0.01 0.00 0.50 0.00 0.00 46.19 44.19 3bg1 s LEU 277 CO 0.26 0.08 0.49 0.00 -1.32 0.00 0.00 176.35 175.86 3bg1 s ALA 278 N 0.69 3.43 -0.47 5.97 0.00 0.39 -0.24 121.76 131.54 3bg1 s ALA 278 Ca 0.14 -1.28 -0.15 0.00 0.00 0.00 0.00 51.96 50.67 3bg1 s ALA 278 Cb -0.13 -3.06 0.08 0.00 0.00 0.00 0.00 23.12 20.01 3bg1 s ALA 278 CO 0.03 -1.46 0.39 0.08 0.00 0.00 0.00 175.76 174.81 3bg1 s VAL 279 N 2.32 5.14 -0.32 0.00 1.01 0.28 -2.10 120.40 126.73 3bg1 s VAL 279 Ca 0.16 -1.13 -0.14 0.00 0.00 0.00 0.00 61.98 60.87 3bg1 s VAL 279 Cb -0.16 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 3bg1 s VAL 279 CO 0.14 -0.60 0.30 -0.94 0.00 0.00 0.00 175.10 174.01 3bg1 s SER 280 N 2.65 6.13 0.00 3.32 1.04 -0.16 -1.01 113.70 125.67 3bg1 s SER 280 Ca 0.04 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.27 3bg1 s SER 280 Cb -0.25 -2.17 0.00 0.00 0.10 0.00 0.00 66.02 63.70 3bg1 s SER 280 CO 0.06 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.64 3bg1 n GLY 281 N 4.99 2.91 0.00 7.32 0.00 -1.19 -0.63 105.19 118.58 3bg1 n GLY 281 Ca -0.11 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.73 3bg1 n GLY 281 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bg1 n GLY 282 N -1.28 0.80 2.49 -0.02 0.00 0.15 -4.53 105.19 102.80 3bg1 n GLY 282 Ca 0.00 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 3bg1 n GLY 282 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3bg1 n ASP 283 N 1.27 5.72 0.00 1.61 5.75 -1.26 -4.76 116.55 124.88 3bg1 n ASP 283 Ca 0.00 -3.76 0.00 0.00 -0.01 0.00 0.00 54.79 51.02 3bg1 n ASP 283 Cb 0.00 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 39.46 3bg1 n ASP 283 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3bg1 n ASN 284 N -0.58 -1.85 -4.94 -1.12 4.13 -1.26 -4.93 115.26 104.71 3bg1 n ASN 284 Ca 0.46 0.00 -0.28 0.00 1.68 0.00 0.00 54.58 56.44 3bg1 n ASN 284 Cb 0.61 -2.49 -0.03 0.00 -1.54 0.00 0.00 39.78 36.33 3bg1 n ASN 284 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3bg1 s LYS 285 N -1.16 3.44 -0.03 3.52 1.02 -1.26 -4.99 119.74 120.28 3bg1 s LYS 285 Ca 0.00 -0.54 0.06 0.00 0.02 0.00 0.00 55.97 55.51 3bg1 s LYS 285 Cb 0.00 -2.98 -0.01 0.00 -0.52 0.00 0.00 37.83 34.32 3bg1 s LYS 285 CO 0.00 0.54 -0.20 0.08 -0.92 0.00 0.00 175.35 174.85 3bg1 s VAL 286 N -1.68 1.63 0.22 3.17 1.01 -1.26 -3.16 120.40 120.33 3bg1 s VAL 286 Ca 0.35 -0.87 0.11 0.00 0.00 0.00 0.00 61.98 61.57 3bg1 s VAL 286 Cb -0.12 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 3bg1 s VAL 286 CO 0.28 0.46 -0.21 0.42 0.00 0.00 0.00 175.10 176.05 3bg1 s THR 287 N -0.35 2.48 0.00 3.92 -4.23 -0.18 -0.64 115.64 116.64 3bg1 s THR 287 Ca 0.05 -2.11 0.06 0.00 -1.18 0.00 0.00 61.69 58.51 3bg1 s THR 287 Cb -0.09 -2.23 -0.03 0.00 1.34 0.00 0.00 72.50 71.49 3bg1 s THR 287 CO 0.00 -0.21 -0.19 -0.76 -0.54 0.00 0.00 174.62 172.93 3bg1 s LEU 288 N -2.95 2.53 0.04 4.79 1.43 -1.01 0.99 118.68 124.49 3bg1 s LEU 288 Ca 0.24 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 3bg1 s LEU 288 Cb -0.07 -1.49 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 3bg1 s LEU 288 CO 0.12 0.29 -0.06 0.26 0.23 0.00 0.00 176.35 177.20 3bg1 s TRP 289 N -0.81 0.53 -0.05 0.29 0.52 0.67 0.73 118.94 120.82 3bg1 s TRP 289 Ca 0.13 -0.57 -0.03 0.00 0.02 0.00 0.00 56.10 55.65 3bg1 s TRP 289 Cb -0.10 -0.33 0.02 0.00 -1.15 0.00 0.00 33.47 31.91 3bg1 s TRP 289 CO 0.03 -0.14 0.11 0.21 0.02 0.00 0.00 176.95 177.18 3bg1 s LYS 290 N -1.80 0.09 -0.12 4.98 2.20 -0.13 0.12 119.74 125.09 3bg1 s LYS 290 Ca -0.10 0.24 -0.30 0.00 -0.36 0.00 0.00 55.97 55.45 3bg1 s LYS 290 Cb -0.08 -0.07 -0.02 0.00 -1.51 0.00 0.00 37.83 36.15 3bg1 s LYS 290 CO -0.01 -0.09 1.23 -2.00 -0.36 0.00 0.00 175.35 174.12 3bg1 s GLU 291 N 0.59 4.29 0.90 4.03 2.12 -1.26 -0.94 118.70 128.42 3bg1 s GLU 291 Ca -0.04 1.66 -0.12 0.00 0.36 0.00 0.00 54.97 56.83 3bg1 s GLU 291 Cb -0.06 -3.67 0.13 0.00 0.26 0.00 0.00 34.13 30.79 3bg1 s GLU 291 CO -0.03 -0.59 1.09 -1.54 -0.54 0.00 0.00 175.26 173.66 3bg1 s SER 292 N 1.73 3.45 0.00 -1.70 1.04 -0.14 -4.84 113.70 113.23 3bg1 s SER 292 Ca 0.55 1.49 0.01 0.00 0.48 0.00 0.00 55.95 58.48 3bg1 s SER 292 Cb -0.23 -2.17 0.06 0.00 0.10 0.00 0.00 66.02 63.79 3bg1 s SER 292 CO 0.18 -2.65 0.80 0.52 0.98 0.00 0.00 173.24 173.06 3bg1 n VAL 293 N -3.89 0.95 0.27 5.02 0.31 -1.26 -0.49 118.33 119.23 3bg1 n VAL 293 Ca 0.07 0.24 0.11 0.00 -0.01 0.00 0.00 64.34 64.74 3bg1 n VAL 293 Cb 0.55 -1.22 -0.15 0.00 -0.91 0.00 0.00 33.84 32.12 3bg1 n VAL 293 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3bg1 n ASP 294 N -1.25 0.29 0.00 4.52 -0.08 -1.26 -5.00 116.55 113.77 3bg1 n ASP 294 Ca 0.01 -0.26 0.00 0.00 -1.51 0.00 0.00 54.79 53.02 3bg1 n ASP 294 Cb 0.01 1.69 0.00 0.00 2.34 0.00 0.00 41.12 45.16 3bg1 n ASP 294 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3bg1 n GLY 295 N 1.32 2.76 3.76 0.27 0.00 0.36 -5.06 105.19 108.60 3bg1 n GLY 295 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3bg1 n GLY 295 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3bg1 s GLN 296 N -0.42 4.50 0.27 1.61 2.00 -1.26 -4.73 119.66 121.63 3bg1 s GLN 296 Ca 0.00 1.07 -0.26 0.00 -2.00 0.00 0.00 55.36 54.17 3bg1 s GLN 296 Cb 0.00 -3.31 -0.09 0.00 0.80 0.00 0.00 33.01 30.41 3bg1 s GLN 296 CO 0.00 0.43 0.89 -1.58 -0.50 0.00 0.00 175.29 174.53 3bg1 s TRP 297 N -0.57 3.78 0.21 1.67 0.52 -1.26 -0.97 118.94 122.31 3bg1 s TRP 297 Ca 0.36 1.74 0.08 0.00 0.02 0.00 0.00 56.10 58.31 3bg1 s TRP 297 Cb -0.21 -2.87 -0.05 0.00 -1.15 0.00 0.00 33.47 29.18 3bg1 s TRP 297 CO 0.24 0.32 -0.15 0.14 0.02 0.00 0.00 176.95 177.52 3bg1 s VAL 298 N -1.45 1.81 -0.32 4.03 -7.23 -0.12 -4.91 120.40 112.21 3bg1 s VAL 298 Ca 0.45 -2.23 -0.21 0.00 -1.81 0.00 0.00 61.98 58.19 3bg1 s VAL 298 Cb -0.20 -2.06 -0.00 0.00 0.56 0.00 0.00 36.38 34.67 3bg1 s VAL 298 CO 0.25 -0.57 0.67 0.00 -0.31 0.00 0.00 175.10 175.14 3bg1 h ILE 300 N 5.59 1.25 -1.60 0.00 3.07 -0.04 -3.48 117.51 122.30 3bg1 h ILE 300 Ca -0.26 -2.83 0.33 0.00 1.55 0.00 0.00 64.86 63.65 3bg1 h ILE 300 Cb 1.11 2.60 -0.11 0.00 -0.27 0.00 0.00 36.82 40.16 3bg1 h ILE 300 CO 0.83 0.71 0.84 -0.94 -1.05 0.00 0.00 178.15 178.54 3bg1 s SER 301 N -6.51 -0.04 -0.19 2.16 1.04 -1.25 -5.00 113.70 103.92 3bg1 s SER 301 Ca 0.01 -0.16 -0.03 0.00 0.48 0.00 0.00 55.95 56.25 3bg1 s SER 301 Cb 0.09 0.16 -0.02 0.00 0.10 0.00 0.00 66.02 66.36 3bg1 s SER 301 CO 0.79 -0.31 -0.05 -0.62 0.98 0.00 0.00 173.24 174.03 3bg1 s ASP 302 N -3.16 4.43 0.58 7.02 -1.08 -1.26 -2.41 116.67 120.79 3bg1 s ASP 302 Ca 0.17 -0.30 -0.09 0.00 -0.52 0.00 0.00 52.55 51.81 3bg1 s ASP 302 Cb 0.04 -1.74 -0.04 0.00 -1.46 0.00 0.00 42.92 39.72 3bg1 s ASP 302 CO -0.03 0.06 0.96 -0.69 0.52 0.00 0.00 175.17 175.99 3bg1 s VAL 303 N 1.00 4.76 0.00 1.11 1.01 0.19 -5.02 120.40 123.45 3bg1 s VAL 303 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.67 3bg1 s VAL 303 Cb -0.15 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.37 3bg1 s VAL 303 CO 0.00 -1.05 0.00 0.59 0.00 0.00 0.00 175.10 174.65