#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gbj s VAL 6 N 0.00 1.69 -0.09 3.15 1.01 -1.26 -0.34 120.40 124.57 3gbj s VAL 6 Ca 0.00 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.26 3gbj s VAL 6 Cb 0.00 -1.53 -0.00 0.00 0.00 0.00 0.00 36.38 34.85 3gbj s VAL 6 CO 0.00 0.48 -0.23 -0.75 0.00 0.00 0.00 175.10 174.59 3gbj s LYS 7 N 0.94 2.92 -0.13 2.72 2.36 0.21 -5.00 119.74 123.76 3gbj s LYS 7 Ca -0.06 -0.87 0.02 0.00 -2.55 0.00 0.00 55.97 52.50 3gbj s LYS 7 Cb -0.15 -2.28 0.01 0.00 -1.05 0.00 0.00 37.83 34.36 3gbj s LYS 7 CO -0.02 0.25 -0.19 0.08 1.55 0.00 0.00 175.35 177.01 3gbj s VAL 8 N 0.18 1.84 0.20 4.02 1.01 -1.26 -0.13 120.40 126.25 3gbj s VAL 8 Ca -0.14 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.08 3gbj s VAL 8 Cb -0.17 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 3gbj s VAL 8 CO 0.07 0.51 -0.15 0.00 0.00 0.00 0.00 175.10 175.53 3gbj s ALA 9 N 0.89 1.98 -0.07 5.51 0.00 0.13 -1.57 121.76 128.64 3gbj s ALA 9 Ca -0.07 -1.63 0.04 0.00 0.00 0.00 0.00 51.96 50.30 3gbj s ALA 9 Cb -0.15 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.88 3gbj s ALA 9 CO -0.02 0.08 -0.18 0.08 0.00 0.00 0.00 175.76 175.72 3gbj s VAL 10 N -2.88 1.56 -0.13 0.00 1.01 -0.93 0.54 120.40 119.57 3gbj s VAL 10 Ca 0.21 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.45 3gbj s VAL 10 Cb -0.01 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 3gbj s VAL 10 CO 0.06 0.45 -0.16 -0.60 0.00 0.00 0.00 175.10 174.86 3gbj s ARG 11 N 0.34 3.29 -0.29 2.72 3.52 -0.47 0.20 118.95 128.26 3gbj s ARG 11 Ca -0.12 -0.74 -0.11 0.00 -0.13 0.00 0.00 55.73 54.63 3gbj s ARG 11 Cb -0.15 -2.57 -0.04 0.00 -1.56 0.00 0.00 34.95 30.63 3gbj s ARG 11 CO 0.05 0.17 0.19 0.42 -0.81 0.00 0.00 175.30 175.31 3gbj s ILE 12 N 0.44 5.16 0.73 4.11 1.01 0.20 -0.96 121.20 131.88 3gbj s ILE 12 Ca -0.11 0.02 -0.10 0.00 0.00 0.00 0.00 60.65 60.45 3gbj s ILE 12 Cb -0.16 -3.51 0.04 0.00 0.01 0.00 0.00 42.46 38.85 3gbj s ILE 12 CO 0.05 0.19 1.09 0.00 0.00 0.00 0.00 174.94 176.28 3gbj s ARG 13 N 1.73 2.45 0.78 2.79 1.70 -0.81 -1.07 118.95 126.52 3gbj s ARG 13 Ca 0.07 0.17 -0.11 0.00 -0.47 0.00 0.00 55.73 55.39 3gbj s ARG 13 Cb -0.16 -2.05 0.06 0.00 -0.57 0.00 0.00 34.95 32.23 3gbj s ARG 13 CO 0.10 -1.22 1.08 -2.14 -1.08 0.00 0.00 175.30 172.04 3gbj s PRO 14 N -5.37 2.20 0.27 3.89 0.02 -1.24 -4.23 135.00 130.54 3gbj s PRO 14 Ca 0.59 0.86 -0.29 0.00 0.02 0.00 0.00 61.00 62.18 3gbj s PRO 14 Cb -0.11 -1.91 -0.14 0.00 0.02 0.00 0.00 34.50 32.36 3gbj s PRO 14 CO 0.49 -1.59 1.19 -1.33 -0.33 0.00 0.00 177.00 175.42 3gbj n MET 15 N -3.45 1.67 -1.58 5.54 2.81 -1.26 -4.79 117.12 116.05 3gbj n MET 15 Ca 0.08 0.59 -0.21 0.00 -1.81 0.00 0.00 57.70 56.34 3gbj n MET 15 Cb 0.55 -2.09 0.14 0.00 -0.71 0.00 0.00 33.22 31.11 3gbj n MET 15 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3gbj n ASN 16 N 1.43 0.29 -0.14 7.83 0.23 -1.26 -4.82 115.26 118.82 3gbj n ASN 16 Ca 0.10 -1.48 -0.08 0.00 -0.53 0.00 0.00 54.58 52.59 3gbj n ASN 16 Cb 0.32 -0.70 0.00 0.00 -2.08 0.00 0.00 39.78 37.32 3gbj n ASN 16 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 3gbj h ARG 17 N 0.00 0.59 -0.49 -3.83 9.65 -1.99 -1.25 114.38 117.06 3gbj h ARG 17 Ca -0.31 -0.06 -0.04 0.00 -1.10 0.00 0.00 59.98 58.48 3gbj h ARG 17 Cb 0.90 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 29.34 3gbj h ARG 17 CO 0.24 0.44 0.17 -0.09 2.80 0.00 0.00 179.97 183.53 3gbj h ARG 18 N 0.56 0.76 -0.70 0.20 2.43 -1.98 0.17 114.38 115.82 3gbj h ARG 18 Ca 0.15 -0.15 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 3gbj h ARG 18 Cb 0.01 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 3gbj h ARG 18 CO -0.03 0.70 0.18 0.93 -1.51 0.00 0.00 179.97 180.24 3gbj h GLU 19 N 0.66 1.12 0.62 0.20 5.08 -1.91 -0.26 114.58 120.09 3gbj h GLU 19 Ca 0.16 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 3gbj h GLU 19 Cb 0.25 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.35 3gbj h GLU 19 CO -0.01 0.98 -0.30 1.15 -1.00 0.00 0.00 179.01 179.84 3gbj h THR 20 N 1.05 0.34 -0.77 1.13 2.02 -0.76 -1.12 112.91 114.81 3gbj h THR 20 Ca 0.22 -0.17 0.13 0.00 0.77 0.00 0.00 66.41 67.36 3gbj h THR 20 Cb 0.36 0.40 -0.09 0.00 -1.74 0.00 0.00 68.15 67.08 3gbj h THR 20 CO 0.00 0.02 0.34 0.44 0.37 0.00 0.00 175.52 176.70 3gbj h ASP 21 N -0.95 0.38 -0.14 4.18 3.32 -0.56 -2.17 116.42 120.48 3gbj h ASP 21 Ca -0.08 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3gbj h ASP 21 Cb 0.67 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.27 3gbj h ASP 21 CO 0.14 0.17 0.00 0.18 -1.72 0.00 0.00 179.24 178.00 3gbj n LEU 22 N -4.94 1.85 -1.70 1.55 4.77 -0.12 -4.94 117.00 113.47 3gbj n LEU 22 Ca 0.14 -0.73 -0.15 0.00 -0.03 0.00 0.00 56.01 55.25 3gbj n LEU 22 Cb 0.39 -0.08 -0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3gbj n LEU 22 CO 0.20 0.36 -0.17 1.41 -1.33 0.00 0.00 177.39 177.86 3gbj n HIS 23 N 0.44 -0.74 -1.73 -1.77 8.25 -0.51 -4.95 115.22 114.21 3gbj n HIS 23 Ca 0.17 0.03 -0.42 0.00 -0.26 0.00 0.00 57.72 57.24 3gbj n HIS 23 Cb 0.38 -3.11 -0.02 0.00 1.12 0.00 0.00 29.99 28.36 3gbj n HIS 23 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3gbj n THR 24 N -4.02 0.64 -2.15 1.59 -1.04 -0.70 -4.95 114.28 103.65 3gbj n THR 24 Ca -0.17 -0.16 -0.33 0.00 -2.04 0.00 0.00 64.05 61.35 3gbj n THR 24 Cb 0.63 -1.96 0.00 0.00 -1.82 0.00 0.00 70.33 67.18 3gbj n THR 24 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3gbj s LYS 25 N 0.11 3.35 -0.07 -2.82 3.01 -1.26 -4.84 119.74 117.22 3gbj s LYS 25 Ca 0.68 1.34 -0.21 0.00 -1.01 0.00 0.00 55.97 56.77 3gbj s LYS 25 Cb -0.50 -2.03 -0.04 0.00 -1.01 0.00 0.00 37.83 34.25 3gbj s LYS 25 CO 0.43 -0.80 0.60 0.00 0.51 0.00 0.00 175.35 176.09 3gbj n VAL 27 N 3.57 0.29 -3.93 0.00 0.24 0.17 -4.88 118.33 113.79 3gbj n VAL 27 Ca -0.04 -0.65 -0.35 0.00 -2.04 0.00 0.00 64.34 61.26 3gbj n VAL 27 Cb 0.51 0.86 -0.14 0.00 -1.47 0.00 0.00 33.84 33.60 3gbj n VAL 27 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3gbj s VAL 28 N -0.30 3.22 0.28 3.34 1.01 -1.17 -0.40 120.40 126.38 3gbj s VAL 28 Ca 0.00 -0.55 0.09 0.00 0.00 0.00 0.00 61.98 61.52 3gbj s VAL 28 Cb 0.00 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 3gbj s VAL 28 CO 0.00 0.43 0.05 1.51 0.00 0.00 0.00 175.10 177.09 3gbj s ASP 29 N 1.46 4.72 0.07 3.32 1.47 -0.39 -4.99 116.67 122.33 3gbj s ASP 29 Ca 0.06 -0.60 0.05 0.00 1.18 0.00 0.00 52.55 53.23 3gbj s ASP 29 Cb -0.14 -0.92 -0.03 0.00 -0.34 0.00 0.00 42.92 41.49 3gbj s ASP 29 CO -0.04 -0.05 -0.13 0.68 0.68 0.00 0.00 175.17 176.31 3gbj s VAL 30 N -2.31 1.02 -0.29 2.11 -7.23 -1.26 -0.96 120.40 111.49 3gbj s VAL 30 Ca 0.33 -1.31 -0.02 0.00 -1.81 0.00 0.00 61.98 59.16 3gbj s VAL 30 Cb -0.06 -1.04 0.12 0.00 0.56 0.00 0.00 36.38 35.96 3gbj s VAL 30 CO 0.21 -0.28 0.22 -0.62 -0.31 0.00 0.00 175.10 174.33 3gbj s ASP 31 N -1.79 2.42 1.23 4.85 2.15 -0.63 -4.97 116.67 119.93 3gbj s ASP 31 Ca -0.02 -0.95 0.00 0.00 0.43 0.00 0.00 52.55 52.00 3gbj s ASP 31 Cb -0.09 0.15 0.00 0.00 -0.30 0.00 0.00 42.92 42.68 3gbj s ASP 31 CO 0.02 -0.41 0.00 0.00 -0.17 0.00 0.00 175.17 174.61 3gbj n ALA 32 N 5.29 0.00 -0.60 3.66 0.00 -1.26 -0.75 120.51 126.84 3gbj n ALA 32 Ca -0.04 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.48 3gbj n ALA 32 Cb 0.45 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.13 3gbj n ALA 32 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3gbj n ASN 33 N 8.87 3.66 -4.90 0.00 6.94 -1.26 -4.44 115.26 124.12 3gbj n ASN 33 Ca 0.00 -2.51 -0.33 0.00 -0.02 0.00 0.00 54.58 51.71 3gbj n ASN 33 Cb 0.00 -0.42 -0.05 0.00 -2.36 0.00 0.00 39.78 36.95 3gbj n ASN 33 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3gbj s LYS 34 N -1.93 3.48 -0.12 -3.83 1.02 0.07 -1.37 119.74 117.07 3gbj s LYS 34 Ca 0.36 -0.27 0.01 0.00 0.02 0.00 0.00 55.97 56.09 3gbj s LYS 34 Cb 0.25 -3.07 -0.01 0.00 -0.52 0.00 0.00 37.83 34.48 3gbj s LYS 34 CO 0.14 0.65 -0.15 0.08 -0.92 0.00 0.00 175.35 175.15 3gbj s VAL 35 N -1.37 2.93 -0.28 3.17 1.01 0.41 -1.61 120.40 124.67 3gbj s VAL 35 Ca 0.29 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 3gbj s VAL 35 Cb -0.13 -2.21 0.03 0.00 0.00 0.00 0.00 36.38 34.07 3gbj s VAL 35 CO 0.20 0.54 0.01 -0.63 0.00 0.00 0.00 175.10 175.21 3gbj s ILE 36 N 0.21 3.31 -0.49 2.22 1.09 -0.13 -1.24 121.20 126.17 3gbj s ILE 36 Ca -0.09 -0.98 -0.21 0.00 -1.10 0.00 0.00 60.65 58.27 3gbj s ILE 36 Cb -0.15 -2.74 0.04 0.00 -1.06 0.00 0.00 42.46 38.55 3gbj s ILE 36 CO 0.05 0.09 0.69 -0.22 -0.10 0.00 0.00 174.94 175.45 3gbj s LEU 37 N 1.37 4.64 0.31 2.97 2.96 0.81 -1.27 118.68 130.48 3gbj s LEU 37 Ca -0.00 -0.60 -0.25 0.00 -0.22 0.00 0.00 54.13 53.05 3gbj s LEU 37 Cb -0.17 -2.62 -0.10 0.00 0.50 0.00 0.00 46.19 43.80 3gbj s LEU 37 CO -0.01 -0.91 0.92 0.20 -1.32 0.00 0.00 176.35 175.23 3gbj s ASN 38 N 2.46 7.31 0.41 3.68 0.01 0.46 -1.25 114.94 128.02 3gbj s ASN 38 Ca 0.21 1.79 -0.26 0.00 -0.71 0.00 0.00 52.86 53.89 3gbj s ASN 38 Cb -0.16 -2.56 -0.08 0.00 0.41 0.00 0.00 41.25 38.85 3gbj s ASN 38 CO 0.16 -0.06 1.27 -2.84 -1.51 0.00 0.00 177.10 174.13 3gbj s PRO 39 N -2.05 3.95 0.00 -0.60 0.02 -1.26 -4.83 135.00 130.24 3gbj s PRO 39 Ca 0.49 2.09 0.13 0.00 0.02 0.00 0.00 61.00 63.73 3gbj s PRO 39 Cb -0.18 -2.72 0.45 0.00 0.02 0.00 0.00 34.50 32.07 3gbj s PRO 39 CO 0.23 -0.48 1.34 1.33 -0.33 0.00 0.00 177.00 179.09 3gbj n VAL 40 N 0.06 0.29 -1.45 3.83 0.24 -1.26 -5.05 118.33 115.00 3gbj n VAL 40 Ca 0.04 -0.33 -0.49 0.00 -2.04 0.00 0.00 64.34 61.52 3gbj n VAL 40 Cb 0.44 0.19 -0.04 0.00 -1.47 0.00 0.00 33.84 32.97 3gbj n VAL 40 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gbj n GLN 52 N 0.21 0.23 -2.03 7.34 -0.00 -1.26 -5.20 117.38 116.68 3gbj n GLN 52 Ca 0.11 0.08 -0.39 0.00 -0.00 0.00 0.00 57.00 56.81 3gbj n GLN 52 Cb 0.24 -1.24 0.00 0.00 -0.00 0.00 0.00 30.24 29.25 3gbj n GLN 52 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.06 174.92 3gbj s PRO 53 N -0.86 3.84 -0.08 2.61 0.02 -1.26 -4.94 135.00 134.33 3gbj s PRO 53 Ca 0.68 2.14 0.02 0.00 0.02 0.00 0.00 61.00 63.87 3gbj s PRO 53 Cb -0.95 -2.66 -0.02 0.00 0.02 0.00 0.00 34.50 30.88 3gbj s PRO 53 CO 0.56 -0.59 -0.14 0.15 -0.33 0.00 0.00 177.00 176.65 3gbj s LYS 54 N -2.37 2.82 -0.07 5.54 1.02 -0.38 -4.97 119.74 121.34 3gbj s LYS 54 Ca 0.59 -0.69 0.05 0.00 0.02 0.00 0.00 55.97 55.95 3gbj s LYS 54 Cb -0.38 -2.47 -0.01 0.00 -0.52 0.00 0.00 37.83 34.45 3gbj s LYS 54 CO 0.48 0.48 -0.24 0.08 -0.92 0.00 0.00 175.35 175.23 3gbj s VAL 55 N -0.35 2.01 0.05 3.17 1.01 -1.26 -0.13 120.40 124.90 3gbj s VAL 55 Ca 0.03 -1.03 0.05 0.00 0.00 0.00 0.00 61.98 61.03 3gbj s VAL 55 Cb -0.12 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 3gbj s VAL 55 CO 0.02 0.56 -0.13 -0.36 0.00 0.00 0.00 175.10 175.19 3gbj s PHE 56 N -0.02 1.14 -0.08 5.22 0.08 -0.38 -4.98 117.98 118.97 3gbj s PHE 56 Ca -0.07 -0.41 0.04 0.00 0.12 0.00 0.00 56.93 56.61 3gbj s PHE 56 Cb -0.15 -0.66 -0.01 0.00 -0.57 0.00 0.00 43.02 41.63 3gbj s PHE 56 CO 0.05 0.03 -0.22 0.00 -0.10 0.00 0.00 175.22 174.98 3gbj s ALA 57 N -1.08 2.28 0.37 5.36 0.00 -1.26 -0.44 121.76 126.98 3gbj s ALA 57 Ca -0.01 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 50.98 3gbj s ALA 57 Cb -0.09 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 3gbj s ALA 57 CO 0.02 0.37 0.10 0.71 0.00 0.00 0.00 175.76 176.96 3gbj s TYR 58 N -0.02 1.83 0.16 0.00 2.02 -0.47 -4.95 117.35 115.93 3gbj s TYR 58 Ca -0.07 -1.15 -0.10 0.00 -0.37 0.00 0.00 57.07 55.38 3gbj s TYR 58 Cb -0.15 -1.19 0.01 0.00 -0.40 0.00 0.00 41.96 40.23 3gbj s TYR 58 CO 0.05 -0.18 1.56 -0.44 -1.57 0.00 0.00 175.55 174.97 3gbj h ASP 59 N 1.95 1.04 -5.02 2.29 3.45 -1.58 -3.45 116.42 115.10 3gbj h ASP 59 Ca -0.38 -0.39 -0.15 0.00 0.43 0.00 0.00 57.03 56.55 3gbj h ASP 59 Cb 1.26 -0.29 -0.20 0.00 -0.56 0.00 0.00 39.33 39.55 3gbj h ASP 59 CO 0.62 1.19 -0.60 -1.00 -1.57 0.00 0.00 179.24 177.89 3gbj s HIS 60 N -4.70 0.20 -0.14 4.55 3.76 -1.22 -5.00 115.29 112.75 3gbj s HIS 60 Ca -0.11 -0.45 0.01 0.00 -0.15 0.00 0.00 55.06 54.35 3gbj s HIS 60 Cb 0.12 -0.15 0.02 0.00 1.11 0.00 0.00 32.58 33.68 3gbj s HIS 60 CO 0.87 -0.27 -0.14 0.00 -0.85 0.00 0.00 174.74 174.35 3gbj s PHE 62 N 1.35 3.26 -0.50 0.00 0.08 0.13 -4.91 117.98 117.39 3gbj s PHE 62 Ca 0.02 -1.03 -0.22 0.00 0.12 0.00 0.00 56.93 55.82 3gbj s PHE 62 Cb -0.13 -3.11 0.04 0.00 -0.57 0.00 0.00 43.02 39.25 3gbj s PHE 62 CO -0.08 -0.80 0.75 -0.46 -0.10 0.00 0.00 175.22 174.53 3gbj s TRP 63 N 1.60 2.96 -0.25 0.36 -0.00 -1.26 -0.63 118.94 121.72 3gbj s TRP 63 Ca 0.04 -0.19 0.09 0.00 -0.00 0.00 0.00 56.10 56.04 3gbj s TRP 63 Cb -0.24 -3.68 0.45 0.00 -0.00 0.00 0.00 33.47 29.99 3gbj s TRP 63 CO 0.06 -1.10 1.27 0.43 -0.00 0.00 0.00 176.95 177.62 3gbj n SER 64 N 6.66 2.66 0.16 5.86 7.64 -0.23 -1.13 113.62 135.24 3gbj n SER 64 Ca -0.02 -3.85 0.04 0.00 1.01 0.00 0.00 58.87 56.05 3gbj n SER 64 Cb 0.47 -0.52 0.14 0.00 -1.01 0.00 0.00 64.21 63.29 3gbj n SER 64 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 3gbj h MET 65 N 1.28 0.00 -0.83 1.43 2.86 -1.79 -3.29 114.93 114.59 3gbj h MET 65 Ca 0.13 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.90 3gbj h MET 65 Cb 1.23 0.00 -0.21 0.00 0.06 0.00 0.00 31.60 32.68 3gbj h MET 65 CO 0.27 0.43 -0.17 0.34 1.06 0.00 0.00 176.91 178.83 3gbj s ASP 66 N -6.41 -1.16 0.56 1.22 -1.08 -1.26 -4.49 116.67 104.05 3gbj s ASP 66 Ca 0.03 0.71 0.24 0.00 -0.52 0.00 0.00 52.55 53.01 3gbj s ASP 66 Cb 0.08 1.96 1.55 0.00 -1.46 0.00 0.00 42.92 45.06 3gbj s ASP 66 CO 0.72 -0.22 2.16 1.05 0.52 0.00 0.00 175.17 179.40 3gbj h GLU 67 N 7.99 0.00 0.00 4.34 4.11 -1.97 -2.70 114.58 126.35 3gbj h GLU 67 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.23 3gbj h GLU 67 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3gbj h GLU 67 CO 0.17 0.00 0.00 0.66 0.07 0.00 0.00 179.01 179.91 3gbj h SER 68 N 0.00 0.00 -1.56 3.06 4.64 -2.01 -3.36 113.55 114.32 3gbj h SER 68 Ca 0.05 0.00 -0.73 0.00 -0.47 0.00 0.00 61.79 60.64 3gbj h SER 68 Cb 0.22 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.17 3gbj h SER 68 CO -0.00 0.00 1.83 0.52 -0.87 0.00 0.00 176.83 178.31 3gbj n VAL 69 N -3.01 4.16 -0.05 0.95 0.31 -1.02 -4.81 118.33 114.87 3gbj n VAL 69 Ca 0.02 -4.40 0.09 0.00 -0.01 0.00 0.00 64.34 60.05 3gbj n VAL 69 Cb 0.40 -2.43 0.48 0.00 -0.91 0.00 0.00 33.84 31.38 3gbj n VAL 69 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 3gbj h LYS 70 N 6.74 0.43 -0.73 5.55 -0.00 -1.86 -0.69 116.57 126.01 3gbj h LYS 70 Ca 0.38 -0.03 0.21 0.00 -0.00 0.00 0.00 60.65 61.22 3gbj h LYS 70 Cb 0.79 -0.10 -0.03 0.00 -0.00 0.00 0.00 32.23 32.89 3gbj h LYS 70 CO 1.44 0.28 0.63 0.93 -0.00 0.00 0.00 179.45 182.73 3gbj h GLU 71 N 0.44 0.00 0.00 0.07 3.07 -1.95 -3.29 114.58 112.92 3gbj h GLU 71 Ca 0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 3gbj h GLU 71 Cb 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 3gbj h GLU 71 CO -0.06 0.00 0.00 0.36 -1.40 0.00 0.00 179.01 177.91 3gbj n LYS 72 N -3.93 0.00 -2.25 2.33 2.85 -0.69 -5.10 118.16 111.37 3gbj n LYS 72 Ca 0.15 -0.04 -0.42 0.00 -1.05 0.00 0.00 58.31 56.95 3gbj n LYS 72 Cb 0.89 -0.35 -0.03 0.00 -0.65 0.00 0.00 35.03 34.89 3gbj n LYS 72 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 177.40 176.88 3gbj s TYR 73 N 0.00 3.30 -0.36 5.58 6.14 -0.35 -4.31 117.35 127.35 3gbj s TYR 73 Ca 0.00 1.19 -0.05 0.00 0.64 0.00 0.00 57.07 58.85 3gbj s TYR 73 Cb 0.00 -3.58 0.06 0.00 0.42 0.00 0.00 41.96 38.87 3gbj s TYR 73 CO 0.00 -1.84 0.13 0.00 0.64 0.00 0.00 175.55 174.47 3gbj s ALA 74 N 0.44 3.05 0.89 3.97 0.00 -0.28 -4.97 121.76 124.86 3gbj s ALA 74 Ca 0.58 -2.00 -0.09 0.00 0.00 0.00 0.00 51.96 50.45 3gbj s ALA 74 Cb -0.35 -2.28 0.19 0.00 0.00 0.00 0.00 23.12 20.68 3gbj s ALA 74 CO 0.35 -1.48 1.21 0.41 0.00 0.00 0.00 175.76 176.25 3gbj n GLY 75 N 4.73 -0.54 0.34 0.00 0.00 -1.26 -4.56 105.19 103.89 3gbj n GLY 75 Ca -0.10 -1.86 0.08 0.00 0.00 0.00 0.00 46.02 44.14 3gbj n GLY 75 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3gbj h GLN 76 N 0.00 0.79 -0.96 1.61 1.08 -1.95 -1.21 115.11 114.47 3gbj h GLN 76 Ca -0.39 -0.05 0.02 0.00 -1.45 0.00 0.00 58.65 56.78 3gbj h GLN 76 Cb 1.23 -0.18 -0.05 0.00 -0.05 0.00 0.00 27.48 28.43 3gbj h GLN 76 CO 0.33 0.52 0.63 0.38 -0.95 0.00 0.00 178.83 179.75 3gbj h ASP 77 N 0.81 1.07 -0.34 1.46 -0.00 -1.93 -2.25 116.42 115.25 3gbj h ASP 77 Ca 0.49 -0.02 -0.08 0.00 -0.00 0.00 0.00 57.03 57.42 3gbj h ASP 77 Cb 0.60 -0.26 -0.01 0.00 -0.00 0.00 0.00 39.33 39.66 3gbj h ASP 77 CO -0.31 0.76 -0.12 0.40 -0.00 0.00 0.00 179.24 179.96 3gbj h ILE 78 N 1.26 1.28 -0.87 4.15 1.08 -1.58 -1.93 117.51 120.90 3gbj h ILE 78 Ca 0.37 -1.20 0.03 0.00 -0.39 0.00 0.00 64.86 63.66 3gbj h ILE 78 Cb -0.07 1.36 -0.05 0.00 -3.07 0.00 0.00 36.82 34.99 3gbj h ILE 78 CO -0.10 0.39 0.56 0.58 -0.69 0.00 0.00 178.15 178.90 3gbj h VAL 79 N 0.45 1.16 -0.43 1.67 2.07 -1.16 -2.11 116.25 117.91 3gbj h VAL 79 Ca 0.08 -0.38 -0.14 0.00 0.82 0.00 0.00 66.70 67.08 3gbj h VAL 79 Cb 0.63 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3gbj h VAL 79 CO 0.04 0.20 -0.29 0.15 0.02 0.00 0.00 177.57 177.69 3gbj h PHE 80 N 1.11 1.11 -0.96 1.57 3.57 -1.30 -1.48 116.94 120.56 3gbj h PHE 80 Ca 0.34 -0.30 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3gbj h PHE 80 Cb -0.03 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.41 3gbj h PHE 80 CO -0.02 1.12 0.61 0.87 -2.23 0.00 0.00 178.31 178.67 3gbj h LYS 81 N 0.80 1.29 0.00 1.11 6.56 -1.00 0.71 116.57 126.04 3gbj h LYS 81 Ca 0.09 -0.10 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 3gbj h LYS 81 Cb 0.88 -0.28 0.00 0.00 -0.57 0.00 0.00 32.23 32.25 3gbj h LYS 81 CO 0.08 0.87 -0.88 0.00 -2.06 0.00 0.00 179.45 177.46 3gbj n LEU 83 N -2.52 0.45 -0.08 0.00 4.77 -0.56 -4.88 117.00 114.17 3gbj n LEU 83 Ca 0.01 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.86 3gbj n LEU 83 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 3gbj n LEU 83 CO 0.39 0.07 -0.01 1.23 -1.33 0.00 0.00 177.39 177.74 3gbj h GLY 84 N 0.00 0.00 -0.13 -0.72 0.00 0.23 -3.29 103.07 99.15 3gbj h GLY 84 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.43 3gbj h GLY 84 CO 0.00 0.00 -0.20 0.83 0.00 0.00 0.00 176.54 177.17 3gbj h GLU 85 N -1.00 -0.08 -0.26 4.80 5.08 -1.08 0.95 114.58 122.98 3gbj h GLU 85 Ca -0.11 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3gbj h GLU 85 Cb 0.90 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 3gbj h GLU 85 CO -0.06 -0.06 0.16 -0.97 -1.00 0.00 0.00 179.01 177.08 3gbj h ASN 86 N -0.09 0.32 -0.93 1.42 -0.73 -1.82 -0.64 115.58 113.12 3gbj h ASN 86 Ca 0.24 -0.06 0.04 0.00 1.87 0.00 0.00 56.30 58.38 3gbj h ASN 86 Cb 0.45 -0.08 -0.06 0.00 0.27 0.00 0.00 38.32 38.91 3gbj h ASN 86 CO -0.56 0.29 0.60 0.40 -0.37 0.00 0.00 177.43 177.79 3gbj h ILE 87 N 0.33 1.15 -0.17 2.57 1.08 -1.45 -0.31 117.51 120.71 3gbj h ILE 87 Ca 0.09 -0.40 -0.02 0.00 -0.39 0.00 0.00 64.86 64.15 3gbj h ILE 87 Cb 0.03 -0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 33.66 3gbj h ILE 87 CO -0.02 0.21 0.04 0.25 -0.69 0.00 0.00 178.15 177.94 3gbj h LEU 88 N 1.16 0.26 -0.90 1.44 5.85 -0.49 -2.60 115.31 120.03 3gbj h LEU 88 Ca 0.37 -0.24 0.11 0.00 0.84 0.00 0.00 57.88 58.96 3gbj h LEU 88 Cb 0.02 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 40.90 3gbj h LEU 88 CO -0.13 0.44 0.54 1.56 -0.34 0.00 0.00 178.44 180.51 3gbj h GLN 89 N 0.08 0.85 -0.92 1.25 7.50 -0.78 -1.56 115.11 121.52 3gbj h GLN 89 Ca 0.05 -0.05 0.11 0.00 0.50 0.00 0.00 58.65 59.26 3gbj h GLN 89 Cb 0.28 -0.19 -0.07 0.00 0.05 0.00 0.00 27.48 27.55 3gbj h GLN 89 CO 0.00 0.56 0.59 -0.97 -1.50 0.00 0.00 178.83 177.52 3gbj h ASN 90 N 0.88 0.81 -0.06 1.46 -1.24 -0.68 -0.70 115.58 116.05 3gbj h ASN 90 Ca 0.44 0.03 -0.19 0.00 0.71 0.00 0.00 56.30 57.30 3gbj h ASN 90 Cb 0.42 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.34 3gbj h ASN 90 CO -0.26 0.45 -0.65 0.00 -1.29 0.00 0.00 177.43 175.69 3gbj h ALA 91 N 1.56 0.51 0.00 1.57 0.00 -1.09 -1.91 119.26 119.90 3gbj h ALA 91 Ca 0.44 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3gbj h ALA 91 Cb 0.49 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3gbj h ALA 91 CO -0.21 0.70 -0.10 0.74 0.00 0.00 0.00 179.25 180.38 3gbj h PHE 92 N 0.50 0.00 0.00 0.00 -1.00 -1.04 -1.53 116.94 113.86 3gbj h PHE 92 Ca -0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.77 3gbj h PHE 92 Cb 1.24 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.80 3gbj h PHE 92 CO 0.06 0.10 0.00 -0.25 -1.61 0.00 0.00 178.31 176.61 3gbj n ASP 93 N -3.97 0.00 0.00 2.17 8.00 -0.33 -4.90 116.55 117.52 3gbj n ASP 93 Ca -0.02 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.39 3gbj n ASP 93 Cb 0.19 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 3gbj n ASP 93 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gbj n GLY 94 N 0.84 0.70 3.75 0.44 0.00 -0.58 -4.98 105.19 105.36 3gbj n GLY 94 Ca 0.12 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 3gbj n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gbj s TYR 95 N -2.00 2.07 0.06 1.61 2.02 -0.77 -4.50 117.35 115.83 3gbj s TYR 95 Ca 0.00 -0.83 0.04 0.00 -0.37 0.00 0.00 57.07 55.91 3gbj s TYR 95 Cb 0.00 -1.75 -0.04 0.00 -0.40 0.00 0.00 41.96 39.78 3gbj s TYR 95 CO 0.00 0.15 -0.02 -0.80 -1.57 0.00 0.00 175.55 173.31 3gbj s ASN 96 N -3.91 4.92 0.04 2.29 0.01 -1.26 -3.19 114.94 113.84 3gbj s ASN 96 Ca 0.21 -0.15 -0.15 0.00 -0.71 0.00 0.00 52.86 52.06 3gbj s ASN 96 Cb 0.03 -1.18 0.03 0.00 0.41 0.00 0.00 41.25 40.54 3gbj s ASN 96 CO 0.12 0.22 0.34 0.00 -1.51 0.00 0.00 177.10 176.26 3gbj s ALA 97 N -1.20 -0.79 0.01 0.60 0.00 -0.42 -0.93 121.76 119.02 3gbj s ALA 97 Ca 0.22 0.14 0.05 0.00 0.00 0.00 0.00 51.96 52.37 3gbj s ALA 97 Cb -0.11 0.30 -0.02 0.00 0.00 0.00 0.00 23.12 23.29 3gbj s ALA 97 CO 0.14 -0.41 -0.15 0.00 0.00 0.00 0.00 175.76 175.34 3gbj s ILE 99 N -0.53 1.87 -0.09 0.00 1.01 -0.41 -1.01 121.20 122.04 3gbj s ILE 99 Ca 0.05 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.82 3gbj s ILE 99 Cb -0.07 -1.64 -0.02 0.00 0.01 0.00 0.00 42.46 40.74 3gbj s ILE 99 CO 0.00 0.52 -0.14 -0.36 0.00 0.00 0.00 174.94 174.96 3gbj s PHE 100 N 0.60 2.75 -0.25 3.97 0.40 0.13 -0.03 117.98 125.55 3gbj s PHE 100 Ca -0.13 -0.43 -0.08 0.00 -0.60 0.00 0.00 56.93 55.68 3gbj s PHE 100 Cb -0.17 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.59 3gbj s PHE 100 CO 0.04 -0.03 0.11 0.00 0.70 0.00 0.00 175.22 176.03 3gbj s ALA 101 N -0.16 3.32 -0.04 5.36 0.00 -0.26 -0.82 121.76 129.16 3gbj s ALA 101 Ca -0.01 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 50.94 3gbj s ALA 101 Cb -0.13 -2.18 -0.01 0.00 0.00 0.00 0.00 23.12 20.80 3gbj s ALA 101 CO 0.03 -0.40 -0.18 -0.47 0.00 0.00 0.00 175.76 174.75 3gbj s TYR 102 N 1.46 1.73 -5.00 0.00 6.14 -0.35 -2.42 117.35 118.90 3gbj s TYR 102 Ca 0.06 -0.46 0.00 0.00 0.64 0.00 0.00 57.07 57.31 3gbj s TYR 102 Cb -0.15 -1.15 0.00 0.00 0.42 0.00 0.00 41.96 41.08 3gbj s TYR 102 CO 0.05 -0.14 0.00 0.41 0.64 0.00 0.00 175.55 176.51 3gbj n GLY 103 N 3.03 -1.86 3.75 8.97 0.00 -1.26 -0.41 105.19 117.40 3gbj n GLY 103 Ca -0.17 -1.49 -0.39 0.00 0.00 0.00 0.00 46.02 43.97 3gbj n GLY 103 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gbj s GLN 104 N -1.75 3.24 0.11 1.61 0.74 -1.26 -2.26 119.66 120.09 3gbj s GLN 104 Ca 0.00 2.25 -0.34 0.00 0.05 0.00 0.00 55.36 57.32 3gbj s GLN 104 Cb 0.00 -2.32 -0.14 0.00 1.10 0.00 0.00 33.01 31.65 3gbj s GLN 104 CO 0.00 -1.12 1.58 2.41 -0.55 0.00 0.00 175.29 177.62 3gbj n THR 105 N -0.89 0.08 -0.54 -0.34 -1.04 -1.26 -1.27 114.28 109.02 3gbj n THR 105 Ca 0.09 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 3gbj n THR 105 Cb 0.45 -1.46 0.00 0.00 -1.82 0.00 0.00 70.33 67.50 3gbj n THR 105 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gbj n GLY 106 N 3.41 0.76 0.10 3.41 0.00 -1.26 -4.93 105.19 106.68 3gbj n GLY 106 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 3gbj n GLY 106 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3gbj h SER 107 N 0.00 0.00 0.00 1.61 4.64 -1.53 -3.48 113.55 114.79 3gbj h SER 107 Ca 0.00 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3gbj h SER 107 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3gbj h SER 107 CO 0.00 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 3gbj n GLY 108 N 1.23 1.42 0.08 -0.77 0.00 -1.26 -3.99 105.19 101.89 3gbj n GLY 108 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 3gbj n GLY 108 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gbj h LYS 109 N 0.00 -0.10 -0.19 1.61 1.57 -1.92 -1.37 116.57 116.16 3gbj h LYS 109 Ca 0.00 0.01 -0.21 0.00 -1.87 0.00 0.00 60.65 58.58 3gbj h LYS 109 Cb 0.00 0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.34 3gbj h LYS 109 CO 0.00 -0.05 -0.70 0.77 -0.57 0.00 0.00 179.45 178.91 3gbj h SER 110 N -0.13 0.91 -0.93 0.86 0.02 -1.96 -1.06 113.55 111.26 3gbj h SER 110 Ca -0.01 -0.56 0.10 0.00 -0.84 0.00 0.00 61.79 60.48 3gbj h SER 110 Cb 0.10 -0.27 -0.07 0.00 0.14 0.00 0.00 62.40 62.31 3gbj h SER 110 CO 0.02 1.35 0.60 0.22 -1.14 0.00 0.00 176.83 177.87 3gbj h TYR 111 N 0.56 1.01 0.12 3.45 3.20 -1.87 0.70 116.97 124.15 3gbj h TYR 111 Ca -0.03 0.03 -0.23 0.00 3.14 0.00 0.00 58.73 61.64 3gbj h TYR 111 Cb 1.31 -0.33 0.02 0.00 1.54 0.00 0.00 36.73 39.28 3gbj h TYR 111 CO 0.08 0.46 -0.97 1.15 -1.64 0.00 0.00 178.16 177.23 3gbj h THR 112 N 0.93 1.41 0.01 1.81 2.02 -1.04 -2.58 112.91 115.46 3gbj h THR 112 Ca 0.43 -2.44 -0.16 0.00 0.77 0.00 0.00 66.41 65.01 3gbj h THR 112 Cb 0.41 2.93 0.01 0.00 -1.74 0.00 0.00 68.15 69.76 3gbj h THR 112 CO -0.19 0.71 -0.63 0.24 0.37 0.00 0.00 175.52 176.02 3gbj h MET 113 N -0.08 0.41 0.00 6.66 2.86 -1.05 -1.40 114.93 122.32 3gbj h MET 113 Ca -0.16 -0.45 -0.09 0.00 -2.06 0.00 0.00 59.70 56.95 3gbj h MET 113 Cb 1.72 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 33.50 3gbj h MET 113 CO 0.19 1.12 -1.31 -0.12 1.06 0.00 0.00 176.91 177.85 3gbj n MET 114 N -4.20 0.13 0.00 1.72 0.00 0.05 -0.61 117.12 114.20 3gbj n MET 114 Ca -0.11 0.04 0.00 0.00 -0.00 0.00 0.00 57.70 57.63 3gbj n MET 114 Cb 0.69 -0.95 0.00 0.00 0.00 0.00 0.00 33.22 32.95 3gbj n MET 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3gbj n GLY 115 N 3.02 -2.06 3.90 -5.12 0.00 -0.11 -1.14 105.19 103.67 3gbj n GLY 115 Ca -0.10 -1.52 -0.24 0.00 0.00 0.00 0.00 46.02 44.17 3gbj n GLY 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gbj s THR 116 N -0.02 2.09 0.36 2.61 -4.23 -0.74 -4.79 115.64 110.92 3gbj s THR 116 Ca 0.00 -1.40 0.04 0.00 -1.18 0.00 0.00 61.69 59.15 3gbj s THR 116 Cb 0.00 -2.49 0.21 0.00 1.34 0.00 0.00 72.50 71.55 3gbj s THR 116 CO 0.00 0.00 1.95 0.00 -0.54 0.00 0.00 174.62 176.03 3gbj h ALA 117 N 0.83 1.49 0.00 3.99 0.00 -2.00 -2.45 119.26 121.12 3gbj h ALA 117 Ca -0.38 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 3gbj h ALA 117 Cb 1.29 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3gbj h ALA 117 CO 0.56 0.39 -0.96 -0.44 0.00 0.00 0.00 179.25 178.80 3gbj h ASP 118 N 0.60 0.00 -2.10 0.00 3.32 -2.01 -3.40 116.42 112.83 3gbj h ASP 118 Ca 0.15 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.62 3gbj h ASP 118 Cb 0.14 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.28 3gbj h ASP 118 CO -0.01 0.25 -0.85 0.00 -1.72 0.00 0.00 179.24 176.91 3gbj n GLN 119 N -2.86 1.64 -1.76 3.56 1.13 -0.96 -5.11 117.38 113.03 3gbj n GLN 119 Ca -0.02 -3.96 -0.39 0.00 -1.94 0.00 0.00 57.00 50.68 3gbj n GLN 119 Cb 0.66 -1.74 0.03 0.00 0.11 0.00 0.00 30.24 29.30 3gbj n GLN 119 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 3gbj n PRO 120 N 1.11 2.02 0.00 -1.09 -0.02 -1.00 -1.79 135.00 134.23 3gbj n PRO 120 Ca 0.26 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 3gbj n PRO 120 Cb 0.47 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 3gbj n PRO 120 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gbj n GLY 121 N 0.65 1.90 0.28 -1.23 0.00 -0.29 -4.84 105.19 101.66 3gbj n GLY 121 Ca 0.07 -1.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.10 3gbj n GLY 121 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3gbj h LEU 122 N 0.00 0.97 -0.14 0.99 3.38 -0.91 -2.94 115.31 116.66 3gbj h LEU 122 Ca 0.00 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.61 3gbj h LEU 122 Cb 0.00 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 3gbj h LEU 122 CO 0.00 1.04 -0.14 0.40 0.09 0.00 0.00 178.44 179.83 3gbj h ILE 123 N 0.87 1.34 -0.63 1.22 2.04 -1.13 -0.64 117.51 120.58 3gbj h ILE 123 Ca 0.16 -1.29 -0.08 0.00 1.00 0.00 0.00 64.86 64.65 3gbj h ILE 123 Cb 0.54 1.87 -0.02 0.00 -0.74 0.00 0.00 36.82 38.46 3gbj h ILE 123 CO 0.03 0.38 0.08 -0.65 0.00 0.00 0.00 178.15 177.98 3gbj h PRO 124 N -0.02 1.07 -0.50 2.37 0.11 -1.80 -1.72 132.00 131.51 3gbj h PRO 124 Ca 0.02 -0.30 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 3gbj h PRO 124 Cb 0.66 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 3gbj h PRO 124 CO 0.03 1.00 0.18 0.00 -0.21 0.00 0.00 178.00 179.01 3gbj h ARG 125 N 0.98 0.76 -0.38 1.05 3.08 -1.51 -0.44 114.38 117.92 3gbj h ARG 125 Ca 0.19 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 3gbj h ARG 125 Cb 0.47 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 3gbj h ARG 125 CO 0.02 0.69 0.14 1.25 -1.07 0.00 0.00 179.97 181.00 3gbj h LEU 126 N 0.68 0.54 -0.91 3.04 6.46 -1.01 0.48 115.31 124.59 3gbj h LEU 126 Ca 0.17 -0.19 -0.08 0.00 -0.12 0.00 0.00 57.88 57.66 3gbj h LEU 126 Cb 0.23 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.00 3gbj h LEU 126 CO -0.01 0.58 -0.04 0.00 -0.62 0.00 0.00 178.44 178.35 3gbj h SER 128 N 0.70 -0.01 -0.97 0.00 0.87 -0.86 -1.71 113.55 111.57 3gbj h SER 128 Ca 0.13 -0.18 0.06 0.00 -1.23 0.00 0.00 61.79 60.58 3gbj h SER 128 Cb 0.49 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.39 3gbj h SER 128 CO 0.03 0.17 0.62 1.23 -0.53 0.00 0.00 176.83 178.35 3gbj h GLY 129 N -0.20 1.47 0.91 5.77 0.00 -0.64 -1.21 103.07 109.17 3gbj h GLY 129 Ca -0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 3gbj h GLY 129 CO 0.00 0.32 -0.26 -2.00 0.00 0.00 0.00 176.54 174.60 3gbj h LEU 130 N 1.13 -0.61 -1.38 3.11 6.46 -0.49 -2.08 115.31 121.45 3gbj h LEU 130 Ca 0.42 -0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 58.11 3gbj h LEU 130 Cb 0.17 0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.25 3gbj h LEU 130 CO -0.17 -0.37 -0.12 -0.26 -0.62 0.00 0.00 178.44 176.90 3gbj h PHE 131 N -0.82 0.28 -0.69 1.25 0.04 -1.22 -0.78 116.94 115.00 3gbj h PHE 131 Ca -0.07 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.65 3gbj h PHE 131 Cb 0.59 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.63 3gbj h PHE 131 CO -0.02 0.39 0.35 1.49 -0.60 0.00 0.00 178.31 179.92 3gbj h GLU 132 N 0.25 0.98 -0.15 1.51 4.81 -1.11 -1.66 114.58 119.22 3gbj h GLU 132 Ca 0.05 -0.13 -0.17 0.00 -0.13 0.00 0.00 59.36 58.98 3gbj h GLU 132 Cb 0.37 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 29.58 3gbj h GLU 132 CO 0.02 0.76 -0.59 -0.09 -0.73 0.00 0.00 179.01 178.38 3gbj h ARG 133 N 0.95 0.66 -0.45 1.92 2.43 -0.61 -2.46 114.38 116.83 3gbj h ARG 133 Ca 0.24 -0.51 -0.05 0.00 -0.81 0.00 0.00 59.98 58.85 3gbj h ARG 133 Cb 0.09 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 3gbj h ARG 133 CO -0.03 1.13 0.07 1.79 -1.51 0.00 0.00 179.97 181.42 3gbj h THR 134 N 0.33 1.25 0.00 0.20 1.35 -1.15 -1.33 112.91 113.56 3gbj h THR 134 Ca -0.03 -0.90 -0.01 0.00 -0.55 0.00 0.00 66.41 64.91 3gbj h THR 134 Cb 1.22 0.97 -0.00 0.00 -1.73 0.00 0.00 68.15 68.61 3gbj h THR 134 CO 0.12 0.31 -0.07 1.56 -0.25 0.00 0.00 175.52 177.20 3gbj h GLN 135 N 0.60 0.00 0.19 4.72 4.20 -1.34 0.19 115.11 123.67 3gbj h GLN 135 Ca 0.13 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.55 3gbj h GLN 135 Cb 0.39 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.20 3gbj h GLN 135 CO 0.01 0.07 -1.29 -0.22 -0.67 0.00 0.00 178.83 176.73 3gbj h LYS 136 N 0.00 0.53 0.00 1.46 1.63 -0.90 -3.37 116.57 115.92 3gbj h LYS 136 Ca -0.00 -0.83 0.00 0.00 -0.85 0.00 0.00 60.65 58.97 3gbj h LYS 136 Cb 0.31 0.30 0.00 0.00 -0.60 0.00 0.00 32.23 32.24 3gbj h LYS 136 CO 0.01 1.39 -1.30 0.39 -3.45 0.00 0.00 179.45 176.49 3gbj n GLU 137 N -3.82 0.54 -2.12 1.90 1.02 -0.56 -4.95 120.64 112.65 3gbj n GLU 137 Ca -0.15 -0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.61 3gbj n GLU 137 Cb 1.02 -1.68 0.01 0.00 -0.02 0.00 0.00 31.44 30.77 3gbj n GLU 137 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 3gbj s GLU 138 N -3.37 3.51 0.00 3.49 -1.05 0.64 -4.88 118.70 117.04 3gbj s GLU 138 Ca -0.02 1.88 0.00 0.00 -0.15 0.00 0.00 54.97 56.68 3gbj s GLU 138 Cb 0.12 -2.30 0.00 0.00 -0.44 0.00 0.00 34.13 31.51 3gbj s GLU 138 CO 0.83 -0.79 0.00 0.27 0.95 0.00 0.00 175.26 176.52 3gbj n ASN 139 N -0.77 0.00 0.28 0.83 0.23 -0.90 -4.99 115.26 109.93 3gbj n ASN 139 Ca 0.09 -0.54 0.15 0.00 -0.53 0.00 0.00 54.58 53.75 3gbj n ASN 139 Cb 0.48 0.00 0.80 0.00 -2.08 0.00 0.00 39.78 38.97 3gbj n ASN 139 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3gbj h GLU 140 N 0.00 0.00 -0.02 -3.83 4.39 -2.03 -3.00 114.58 110.09 3gbj h GLU 140 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3gbj h GLU 140 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3gbj h GLU 140 CO 0.00 0.08 -0.23 0.39 -1.16 0.00 0.00 179.01 178.09 3gbj n GLU 141 N -3.47 1.59 -3.71 2.33 4.71 -1.26 -4.94 120.64 115.90 3gbj n GLU 141 Ca -0.02 -1.18 -0.12 0.00 -0.01 0.00 0.00 57.16 55.83 3gbj n GLU 141 Cb 0.22 -1.35 -0.10 0.00 -1.01 0.00 0.00 31.44 29.20 3gbj n GLU 141 CO 0.00 0.00 0.00 1.14 0.09 0.00 0.00 177.13 178.36 3gbj s GLN 142 N -1.91 0.51 0.22 3.49 -2.07 -1.13 -0.87 119.66 117.90 3gbj s GLN 142 Ca 0.18 0.70 0.07 0.00 -1.82 0.00 0.00 55.36 54.49 3gbj s GLN 142 Cb 0.15 0.19 -0.05 0.00 -1.09 0.00 0.00 33.01 32.21 3gbj s GLN 142 CO 0.38 -0.09 -0.11 -1.54 -1.32 0.00 0.00 175.29 172.60 3gbj s SER 143 N 0.59 2.53 -0.06 12.60 1.04 -0.25 -2.12 113.70 128.03 3gbj s SER 143 Ca -0.03 -1.07 0.04 0.00 0.48 0.00 0.00 55.95 55.37 3gbj s SER 143 Cb -0.05 -0.13 -0.00 0.00 0.10 0.00 0.00 66.02 65.94 3gbj s SER 143 CO -0.04 -0.24 -0.19 -0.36 0.98 0.00 0.00 173.24 173.39 3gbj s PHE 144 N -3.03 1.94 -0.16 5.02 0.08 -1.26 -1.10 117.98 119.47 3gbj s PHE 144 Ca 0.24 -0.62 -0.02 0.00 0.12 0.00 0.00 56.93 56.65 3gbj s PHE 144 Cb 0.01 -1.31 -0.02 0.00 -0.57 0.00 0.00 43.02 41.14 3gbj s PHE 144 CO 0.08 -0.22 -0.09 0.21 -0.10 0.00 0.00 175.22 175.10 3gbj s LYS 145 N 0.12 3.45 -0.19 0.44 2.36 0.14 -4.96 119.74 121.11 3gbj s LYS 145 Ca -0.07 -0.63 0.00 0.00 -2.55 0.00 0.00 55.97 52.72 3gbj s LYS 145 Cb -0.13 -2.79 0.02 0.00 -1.05 0.00 0.00 37.83 33.87 3gbj s LYS 145 CO 0.04 0.12 -0.18 0.08 1.55 0.00 0.00 175.35 176.96 3gbj s VAL 146 N 0.62 2.21 -0.02 4.02 1.01 -1.26 -0.21 120.40 126.77 3gbj s VAL 146 Ca -0.05 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.09 3gbj s VAL 146 Cb -0.15 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 3gbj s VAL 146 CO 0.03 0.52 -0.21 -1.61 0.00 0.00 0.00 175.10 173.82 3gbj s GLU 147 N 1.31 1.78 -0.00 2.72 2.02 -0.03 -0.65 118.70 125.85 3gbj s GLU 147 Ca 0.05 -0.76 0.05 0.00 0.02 0.00 0.00 54.97 54.33 3gbj s GLU 147 Cb -0.13 -1.70 -0.02 0.00 0.10 0.00 0.00 34.13 32.39 3gbj s GLU 147 CO -0.12 0.44 -0.17 0.54 0.02 0.00 0.00 175.26 175.97 3gbj s VAL 148 N -0.45 1.36 0.07 2.63 0.11 -0.40 0.45 120.40 124.17 3gbj s VAL 148 Ca 0.07 -0.81 0.06 0.00 -2.93 0.00 0.00 61.98 58.37 3gbj s VAL 148 Cb -0.09 -1.15 -0.03 0.00 -1.53 0.00 0.00 36.38 33.59 3gbj s VAL 148 CO -0.00 0.32 -0.17 -0.44 -3.33 0.00 0.00 175.10 171.48 3gbj s SER 149 N -0.56 2.01 -0.13 3.54 0.01 0.16 -0.99 113.70 117.74 3gbj s SER 149 Ca 0.06 -0.60 -0.04 0.00 1.31 0.00 0.00 55.95 56.69 3gbj s SER 149 Cb -0.07 -0.10 0.05 0.00 0.21 0.00 0.00 66.02 66.11 3gbj s SER 149 CO -0.00 0.01 0.07 -0.47 0.41 0.00 0.00 173.24 173.25 3gbj s TYR 150 N -1.12 0.34 0.17 2.43 5.04 -1.26 0.00 117.35 122.96 3gbj s TYR 150 Ca 0.02 -0.24 0.04 0.00 -2.44 0.00 0.00 57.07 54.45 3gbj s TYR 150 Cb -0.09 -0.70 -0.05 0.00 0.35 0.00 0.00 41.96 41.47 3gbj s TYR 150 CO 0.03 -0.43 -0.06 0.00 -1.34 0.00 0.00 175.55 173.75 3gbj s MET 151 N 2.09 1.14 -0.06 4.97 0.23 -0.76 -0.99 119.30 125.91 3gbj s MET 151 Ca 0.03 -1.52 0.02 0.00 -1.03 0.00 0.00 55.69 53.19 3gbj s MET 151 Cb -0.15 -0.58 0.01 0.00 -1.53 0.00 0.00 34.83 32.58 3gbj s MET 151 CO -0.07 0.00 -0.13 -2.00 -2.03 0.00 0.00 175.02 170.79 3gbj s GLU 152 N -3.80 1.75 -0.36 3.16 2.12 0.05 -0.43 118.70 121.19 3gbj s GLU 152 Ca 0.21 -0.44 -0.06 0.00 0.36 0.00 0.00 54.97 55.03 3gbj s GLU 152 Cb 0.04 -1.44 0.06 0.00 0.26 0.00 0.00 34.13 33.04 3gbj s GLU 152 CO 0.03 0.05 0.14 0.42 -0.54 0.00 0.00 175.26 175.36 3gbj s ILE 153 N 0.60 3.77 -0.18 -3.70 1.01 0.84 -0.56 121.20 122.99 3gbj s ILE 153 Ca -0.14 -1.31 0.01 0.00 0.00 0.00 0.00 60.65 59.20 3gbj s ILE 153 Cb -0.15 -3.23 0.03 0.00 0.01 0.00 0.00 42.46 39.12 3gbj s ILE 153 CO 0.04 -0.31 -0.14 -0.47 0.00 0.00 0.00 174.94 174.06 3gbj s TYR 154 N 1.37 2.42 -1.41 3.97 5.04 -0.12 -1.52 117.35 127.10 3gbj s TYR 154 Ca 0.00 -1.48 -0.09 0.00 -2.44 0.00 0.00 57.07 53.06 3gbj s TYR 154 Cb -0.21 -1.69 0.04 0.00 0.35 0.00 0.00 41.96 40.45 3gbj s TYR 154 CO 0.02 -0.73 1.03 0.09 -1.34 0.00 0.00 175.55 174.62 3gbj n ASN 155 N 4.70 -4.72 -1.27 4.32 4.13 -1.26 -1.94 115.26 119.21 3gbj n ASN 155 Ca -0.17 -0.68 -0.16 0.00 1.68 0.00 0.00 54.58 55.25 3gbj n ASN 155 Cb 0.48 -4.46 -0.07 0.00 -1.54 0.00 0.00 39.78 34.19 3gbj n ASN 155 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3gbj n GLU 156 N -4.71 -1.14 -4.98 3.52 -0.58 -1.26 -5.00 120.64 106.49 3gbj n GLU 156 Ca -0.04 1.07 -0.31 0.00 -0.42 0.00 0.00 57.16 57.45 3gbj n GLU 156 Cb 0.57 -5.27 -0.14 0.00 -0.57 0.00 0.00 31.44 26.03 3gbj n GLU 156 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3gbj s LYS 157 N -3.43 2.13 -0.15 3.49 -0.14 -0.82 -4.96 119.74 115.87 3gbj s LYS 157 Ca 0.00 -0.92 -0.06 0.00 -1.36 0.00 0.00 55.97 53.63 3gbj s LYS 157 Cb 0.00 -2.14 -0.04 0.00 -1.68 0.00 0.00 37.83 33.97 3gbj s LYS 157 CO 0.00 0.56 0.07 0.08 -0.76 0.00 0.00 175.35 175.30 3gbj s VAL 158 N -0.75 4.87 -0.05 3.17 1.01 -1.26 -0.94 120.40 126.45 3gbj s VAL 158 Ca 0.12 -0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.12 3gbj s VAL 158 Cb -0.10 -3.14 -0.00 0.00 0.00 0.00 0.00 36.38 33.13 3gbj s VAL 158 CO 0.01 0.53 -0.19 0.00 0.00 0.00 0.00 175.10 175.46 3gbj s ARG 159 N -0.26 2.01 -0.51 2.72 1.04 0.28 -0.45 118.95 123.78 3gbj s ARG 159 Ca 0.08 -0.68 -0.25 0.00 -1.04 0.00 0.00 55.73 53.84 3gbj s ARG 159 Cb -0.12 -1.72 0.03 0.00 -2.04 0.00 0.00 34.95 31.11 3gbj s ARG 159 CO 0.01 0.26 0.97 0.34 -0.04 0.00 0.00 175.30 176.84 3gbj s ASP 160 N 0.04 6.44 0.00 -2.89 3.68 -1.26 -0.77 116.67 121.91 3gbj s ASP 160 Ca -0.05 -0.05 0.26 0.00 2.13 0.00 0.00 52.55 54.84 3gbj s ASP 160 Cb -0.13 -2.46 1.46 0.00 -1.45 0.00 0.00 42.92 40.35 3gbj s ASP 160 CO 0.03 -1.17 1.88 0.18 0.13 0.00 0.00 175.17 176.22 3gbj n LEU 161 N 7.44 0.00 -1.01 -1.34 4.77 -0.16 -2.95 117.00 123.75 3gbj n LEU 161 Ca 0.05 0.08 0.08 0.00 -0.03 0.00 0.00 56.01 56.19 3gbj n LEU 161 Cb 0.48 -0.08 0.25 0.00 -2.33 0.00 0.00 43.42 41.74 3gbj n LEU 161 CO 0.65 -0.02 0.71 0.18 -1.33 0.00 0.00 177.39 177.58 3gbj n LEU 162 N -1.08 3.73 0.00 2.23 4.77 -1.25 -3.84 117.00 121.57 3gbj n LEU 162 Ca 0.17 -2.37 0.00 0.00 -0.03 0.00 0.00 56.01 53.78 3gbj n LEU 162 Cb 0.12 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3gbj n LEU 162 CO 0.16 0.76 0.00 -0.67 -1.33 0.00 0.00 177.39 176.31 3gbj n ASP 163 N 0.50 0.00 -4.66 -1.43 4.64 -1.15 -5.02 116.55 109.42 3gbj n ASP 163 Ca 0.19 0.00 -0.41 0.00 -1.38 0.00 0.00 54.79 53.19 3gbj n ASP 163 Cb 0.68 0.00 -0.04 0.00 -1.04 0.00 0.00 41.12 40.72 3gbj n ASP 163 CO 0.00 0.00 0.00 0.42 -0.82 0.00 0.00 177.20 176.80 3gbj s THR 170 N 0.53 4.90 -0.02 5.18 -4.23 -1.26 -5.21 115.64 115.53 3gbj s THR 170 Ca 0.00 1.54 -0.10 0.00 -1.18 0.00 0.00 61.69 61.94 3gbj s THR 170 Cb 0.00 -4.10 -0.05 0.00 1.34 0.00 0.00 72.50 69.69 3gbj s THR 170 CO 0.00 0.03 0.31 -0.76 -0.54 0.00 0.00 174.62 173.66 3gbj s LEU 171 N 2.21 4.42 0.19 4.79 1.43 0.40 -4.99 118.68 127.13 3gbj s LEU 171 Ca 0.36 0.73 -0.28 0.00 -1.03 0.00 0.00 54.13 53.91 3gbj s LEU 171 Cb -0.16 -2.52 -0.08 0.00 0.03 0.00 0.00 46.19 43.46 3gbj s LEU 171 CO 0.11 0.31 0.85 -1.59 0.23 0.00 0.00 176.35 176.27 3gbj s LYS 172 N -1.31 4.70 -0.21 1.70 0.00 -1.26 -3.98 119.74 119.38 3gbj s LYS 172 Ca 0.23 1.31 -0.20 0.00 0.00 0.00 0.00 55.97 57.32 3gbj s LYS 172 Cb -0.14 -3.28 -0.03 0.00 0.00 0.00 0.00 37.83 34.38 3gbj s LYS 172 CO 0.12 0.53 0.58 0.08 0.00 0.00 0.00 175.35 176.66 3gbj s VAL 173 N -1.09 5.06 0.00 1.79 1.01 -1.26 -1.96 120.40 123.94 3gbj s VAL 173 Ca 0.38 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.43 3gbj s VAL 173 Cb -0.24 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.24 3gbj s VAL 173 CO 0.29 0.13 0.00 0.54 0.00 0.00 0.00 175.10 176.06 3gbj n ARG 174 N 5.03 2.61 -3.68 2.72 1.74 -1.26 -5.01 116.66 118.81 3gbj n ARG 174 Ca -0.03 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.68 3gbj n ARG 174 Cb 0.50 -0.76 -0.12 0.00 -1.02 0.00 0.00 32.46 31.06 3gbj n ARG 174 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3gbj s PRO 181 N -1.21 3.62 0.05 5.56 0.04 -1.26 -4.78 135.00 137.03 3gbj s PRO 181 Ca 0.00 -0.52 0.00 0.00 0.04 0.00 0.00 61.00 60.52 3gbj s PRO 181 Cb 0.00 -3.49 -0.03 0.00 0.04 0.00 0.00 34.50 31.01 3gbj s PRO 181 CO 0.00 -0.27 -0.04 1.52 0.04 0.00 0.00 177.00 178.25 3gbj s TYR 182 N 1.65 0.52 -0.54 0.56 -0.85 -1.26 -4.89 117.35 112.54 3gbj s TYR 182 Ca 0.06 -0.80 -0.18 0.00 -0.52 0.00 0.00 57.07 55.63 3gbj s TYR 182 Cb -0.16 -0.35 0.10 0.00 0.38 0.00 0.00 41.96 41.93 3gbj s TYR 182 CO 0.06 -0.25 0.58 0.08 -1.52 0.00 0.00 175.55 174.51 3gbj s VAL 183 N -2.78 5.01 -0.28 -3.49 1.01 -1.26 -4.51 120.40 114.10 3gbj s VAL 183 Ca -0.02 -1.07 -0.34 0.00 0.00 0.00 0.00 61.98 60.56 3gbj s VAL 183 Cb -0.00 -4.35 -0.11 0.00 0.00 0.00 0.00 36.38 31.92 3gbj s VAL 183 CO -0.05 -0.91 2.11 -0.67 0.00 0.00 0.00 175.10 175.58 3gbj n ASP 184 N 5.81 2.56 0.00 3.32 -0.08 -0.83 -1.35 116.55 125.99 3gbj n ASP 184 Ca -0.11 0.52 0.00 0.00 -1.51 0.00 0.00 54.79 53.69 3gbj n ASP 184 Cb 0.42 -1.32 0.00 0.00 2.34 0.00 0.00 41.12 42.56 3gbj n ASP 184 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3gbj n GLY 185 N 5.89 0.74 3.66 0.27 0.00 -1.26 -4.30 105.19 110.20 3gbj n GLY 185 Ca 0.35 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 3gbj n GLY 185 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gbj s LEU 186 N 0.00 4.18 0.30 0.99 2.96 -0.46 -4.98 118.68 121.68 3gbj s LEU 186 Ca 0.00 1.69 -0.29 0.00 -0.22 0.00 0.00 54.13 55.31 3gbj s LEU 186 Cb 0.00 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 43.05 3gbj s LEU 186 CO 0.00 -0.75 1.43 -0.94 -1.32 0.00 0.00 176.35 174.78 3gbj s SER 187 N 1.91 6.59 -0.24 3.68 1.04 -1.26 -4.99 113.70 120.43 3gbj s SER 187 Ca 0.54 2.79 -0.01 0.00 0.48 0.00 0.00 55.95 59.75 3gbj s SER 187 Cb -0.22 -2.64 0.07 0.00 0.10 0.00 0.00 66.02 63.33 3gbj s SER 187 CO 0.15 -0.72 0.04 -0.75 0.98 0.00 0.00 173.24 172.94 3gbj s LYS 188 N -1.16 0.86 -0.17 4.02 2.20 -1.26 -4.48 119.74 119.76 3gbj s LYS 188 Ca 0.55 -0.74 -0.03 0.00 -0.36 0.00 0.00 55.97 55.39 3gbj s LYS 188 Cb -0.43 -2.17 -0.02 0.00 -1.51 0.00 0.00 37.83 33.70 3gbj s LYS 188 CO 0.51 -0.74 -0.04 -0.51 -0.36 0.00 0.00 175.35 174.20 3gbj s LEU 189 N 1.69 3.14 0.06 5.43 1.43 -0.16 -4.85 118.68 125.41 3gbj s LEU 189 Ca 0.01 -0.20 -0.31 0.00 -1.03 0.00 0.00 54.13 52.61 3gbj s LEU 189 Cb -0.17 -1.76 -0.07 0.00 0.03 0.00 0.00 46.19 44.21 3gbj s LEU 189 CO -0.13 0.13 1.44 0.00 0.23 0.00 0.00 176.35 178.02 3gbj s ALA 190 N 0.60 3.60 0.07 4.21 0.00 -1.26 -1.28 121.76 127.70 3gbj s ALA 190 Ca -0.03 1.03 0.08 0.00 0.00 0.00 0.00 51.96 53.04 3gbj s ALA 190 Cb -0.14 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.36 3gbj s ALA 190 CO 0.03 -0.83 -0.23 0.14 0.00 0.00 0.00 175.76 174.87 3gbj s VAL 191 N 1.93 1.86 0.00 0.00 -7.23 0.18 -4.99 120.40 112.15 3gbj s VAL 191 Ca 0.66 -1.40 0.00 0.00 -1.81 0.00 0.00 61.98 59.43 3gbj s VAL 191 Cb -0.35 -1.63 0.00 0.00 0.56 0.00 0.00 36.38 34.96 3gbj s VAL 191 CO 0.29 0.16 0.38 0.35 -0.31 0.00 0.00 175.10 175.97 3gbj n THR 192 N 1.52 0.00 -3.93 5.32 -2.24 -1.26 -4.19 114.28 109.50 3gbj n THR 192 Ca -0.18 -0.41 -0.09 0.00 -2.27 0.00 0.00 64.05 61.10 3gbj n THR 192 Cb 0.53 1.17 -0.06 0.00 -2.10 0.00 0.00 70.33 69.87 3gbj n THR 192 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3gbj s SER 193 N -0.05 -0.06 0.23 3.42 1.04 -1.26 -5.02 113.70 112.00 3gbj s SER 193 Ca 0.00 -0.82 -0.06 0.00 0.48 0.00 0.00 55.95 55.56 3gbj s SER 193 Cb 0.00 0.50 0.23 0.00 0.10 0.00 0.00 66.02 66.85 3gbj s SER 193 CO 0.00 -0.99 1.79 0.22 0.98 0.00 0.00 173.24 175.24 3gbj h TYR 194 N 2.40 1.12 -0.60 5.02 3.20 -1.96 -2.33 116.97 123.82 3gbj h TYR 194 Ca -0.30 -0.09 0.04 0.00 3.14 0.00 0.00 58.73 61.52 3gbj h TYR 194 Cb 1.24 -0.33 -0.04 0.00 1.54 0.00 0.00 36.73 39.14 3gbj h TYR 194 CO 0.39 0.87 0.35 0.87 -1.64 0.00 0.00 178.16 178.99 3gbj h LYS 195 N 1.06 0.65 0.11 1.82 6.56 -1.98 0.16 116.57 124.94 3gbj h LYS 195 Ca 0.24 -0.04 0.02 0.00 -1.06 0.00 0.00 60.65 59.81 3gbj h LYS 195 Cb 0.25 -0.15 -0.03 0.00 -0.57 0.00 0.00 32.23 31.73 3gbj h LYS 195 CO -0.01 0.43 -0.23 -0.44 -2.06 0.00 0.00 179.45 177.13 3gbj h ASP 196 N 0.67 -0.65 0.62 0.86 5.19 -1.89 -1.22 116.42 119.99 3gbj h ASP 196 Ca 0.25 0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.73 3gbj h ASP 196 Cb 0.09 0.25 -0.00 0.00 0.18 0.00 0.00 39.33 39.85 3gbj h ASP 196 CO -0.13 -0.32 -0.07 -0.29 -3.12 0.00 0.00 179.24 175.31 3gbj h ILE 197 N -0.42 0.25 -0.10 0.35 2.10 -1.01 -1.93 117.51 116.75 3gbj h ILE 197 Ca 0.03 -0.51 -0.21 0.00 1.08 0.00 0.00 64.86 65.25 3gbj h ILE 197 Cb 0.45 1.40 0.00 0.00 -1.09 0.00 0.00 36.82 37.59 3gbj h ILE 197 CO -0.14 0.07 -0.80 -0.08 -1.08 0.00 0.00 178.15 176.13 3gbj h GLU 198 N 0.00 0.60 0.00 2.19 4.81 0.04 -2.49 114.58 119.73 3gbj h GLU 198 Ca -0.00 -0.51 -0.02 0.00 -0.13 0.00 0.00 59.36 58.69 3gbj h GLU 198 Cb 0.40 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 3gbj h GLU 198 CO 0.01 1.13 -0.11 0.77 -0.73 0.00 0.00 179.01 180.08 3gbj h SER 199 N 0.40 0.00 0.40 1.04 0.02 -0.42 0.23 113.55 115.22 3gbj h SER 199 Ca -0.05 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.58 3gbj h SER 199 Cb 1.41 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.93 3gbj h SER 199 CO 0.15 0.11 -1.63 -0.07 -1.14 0.00 0.00 176.83 174.26 3gbj h LEU 200 N 0.00 0.36 0.14 5.07 3.38 -1.50 0.80 115.31 123.56 3gbj h LEU 200 Ca -0.00 -0.56 0.02 0.00 0.09 0.00 0.00 57.88 57.42 3gbj h LEU 200 Cb 0.26 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3gbj h LEU 200 CO 0.01 1.48 -0.26 0.24 0.09 0.00 0.00 178.44 180.00 3gbj h MET 201 N 0.06 -0.46 0.19 1.13 2.86 -1.11 -0.10 114.93 117.51 3gbj h MET 201 Ca -0.28 0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.40 3gbj h MET 201 Cb 2.02 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 33.76 3gbj h MET 201 CO 0.14 -0.31 -0.24 1.03 1.06 0.00 0.00 176.91 178.59 3gbj h SER 202 N -0.48 -0.66 -0.38 1.22 0.87 -1.00 -1.10 113.55 112.02 3gbj h SER 202 Ca 0.03 0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.70 3gbj h SER 202 Cb 0.50 0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 62.65 3gbj h SER 202 CO -0.14 -0.34 0.12 -0.08 -0.53 0.00 0.00 176.83 175.86 3gbj h GLU 203 N -0.49 0.26 -0.48 2.24 4.81 -0.77 -2.47 114.58 117.68 3gbj h GLU 203 Ca 0.01 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 3gbj h GLU 203 Cb 0.47 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 3gbj h GLU 203 CO -0.09 0.17 0.11 0.78 -0.73 0.00 0.00 179.01 179.25 3gbj h GLY 204 N 0.27 0.84 1.76 1.92 0.00 -0.86 -2.18 103.07 104.82 3gbj h GLY 204 Ca 0.17 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 3gbj h GLY 204 CO -0.19 0.50 0.02 3.43 0.00 0.00 0.00 176.54 180.30 3gbj h ASN 205 N 0.66 0.28 0.25 0.19 2.35 -1.00 -2.15 115.58 116.15 3gbj h ASN 205 Ca 0.15 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 3gbj h ASN 205 Cb 0.34 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.64 3gbj h ASN 205 CO 0.00 0.32 -0.12 0.11 -1.65 0.00 0.00 177.43 176.10 3gbj h LYS 206 N 0.31 -0.32 0.00 0.81 6.56 -1.24 -3.01 116.57 119.69 3gbj h LYS 206 Ca 0.07 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.69 3gbj h LYS 206 Cb 0.18 0.07 0.00 0.00 -0.57 0.00 0.00 32.23 31.91 3gbj h LYS 206 CO 0.00 0.03 0.00 0.43 -2.06 0.00 0.00 179.45 177.85 3gbj n SER 207 N -5.06 0.00 -4.95 0.86 7.64 -0.84 -5.13 113.62 106.13 3gbj n SER 207 Ca -0.09 -0.09 -0.20 0.00 1.01 0.00 0.00 58.87 59.50 3gbj n SER 207 Cb 0.26 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 3gbj n SER 207 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3gbj s ARG 208 N -2.02 2.58 0.00 1.43 3.52 -0.84 -4.99 118.95 118.63 3gbj s ARG 208 Ca 0.05 -1.49 0.00 0.00 -0.13 0.00 0.00 55.73 54.15 3gbj s ARG 208 Cb 0.02 -2.54 0.00 0.00 -1.56 0.00 0.00 34.95 30.88 3gbj s ARG 208 CO 0.04 -0.37 0.00 -1.13 -0.81 0.00 0.00 175.30 173.02 3gbj n SER 219 N -1.79 0.00 -0.02 -2.12 3.41 -1.26 -5.07 113.62 106.76 3gbj n SER 219 Ca 0.07 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.83 3gbj n SER 219 Cb 0.61 0.00 0.78 0.00 -0.26 0.00 0.00 64.21 65.34 3gbj n SER 219 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3gbj n SER 220 N 0.00 0.08 -0.07 4.04 3.41 -1.26 -3.31 113.62 116.51 3gbj n SER 220 Ca 0.00 -0.41 0.08 0.00 -0.26 0.00 0.00 58.87 58.28 3gbj n SER 220 Cb 0.00 -0.19 0.11 0.00 -0.26 0.00 0.00 64.21 63.87 3gbj n SER 220 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gbj n ARG 221 N -1.16 1.59 -4.15 4.33 3.00 -1.26 -1.06 116.66 117.95 3gbj n ARG 221 Ca 0.16 -2.30 -0.10 0.00 -0.01 0.00 0.00 57.85 55.60 3gbj n ARG 221 Cb 0.22 -1.36 -0.10 0.00 0.00 0.00 0.00 32.46 31.21 3gbj n ARG 221 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3gbj s SER 222 N -2.43 0.81 -0.09 0.55 1.04 -1.21 -4.67 113.70 107.70 3gbj s SER 222 Ca 0.24 -1.06 -0.14 0.00 0.48 0.00 0.00 55.95 55.47 3gbj s SER 222 Cb 0.21 0.16 -0.05 0.00 0.10 0.00 0.00 66.02 66.45 3gbj s SER 222 CO 0.02 -0.57 0.36 -1.00 0.98 0.00 0.00 173.24 173.03 3gbj s HIS 223 N -3.79 3.58 -0.20 5.02 0.09 -0.57 -2.25 115.29 117.17 3gbj s HIS 223 Ca 0.14 0.79 -0.06 0.00 -0.00 0.00 0.00 55.06 55.93 3gbj s HIS 223 Cb 0.07 -2.33 -0.03 0.00 -0.00 0.00 0.00 32.58 30.29 3gbj s HIS 223 CO -0.04 0.42 0.03 0.00 -0.00 0.00 0.00 174.74 175.14 3gbj s ALA 224 N -0.20 3.16 -0.29 -1.40 0.00 0.19 -0.11 121.76 123.11 3gbj s ALA 224 Ca 0.21 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.26 3gbj s ALA 224 Cb -0.15 -1.83 0.06 0.00 0.00 0.00 0.00 23.12 21.20 3gbj s ALA 224 CO 0.09 -0.04 -0.03 0.08 0.00 0.00 0.00 175.76 175.85 3gbj s VAL 225 N 0.80 2.62 -0.37 0.00 1.01 0.43 -0.67 120.40 124.22 3gbj s VAL 225 Ca 0.02 -1.58 -0.19 0.00 0.00 0.00 0.00 61.98 60.23 3gbj s VAL 225 Cb -0.14 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.69 3gbj s VAL 225 CO 0.02 -0.13 0.57 0.12 0.00 0.00 0.00 175.10 175.68 3gbj s PHE 226 N 1.16 3.15 -0.13 5.22 5.36 0.03 -1.83 117.98 130.94 3gbj s PHE 226 Ca -0.05 0.18 -0.00 0.00 -0.96 0.00 0.00 56.93 56.09 3gbj s PHE 226 Cb -0.20 -3.05 -0.01 0.00 -0.34 0.00 0.00 43.02 39.42 3gbj s PHE 226 CO -0.03 -0.62 -0.13 0.21 -1.46 0.00 0.00 175.22 173.19 3gbj s LYS 227 N 2.54 3.38 -0.10 10.12 2.20 0.10 -0.02 119.74 137.95 3gbj s LYS 227 Ca 0.21 -0.69 0.02 0.00 -0.36 0.00 0.00 55.97 55.16 3gbj s LYS 227 Cb -0.15 -2.64 -0.01 0.00 -1.51 0.00 0.00 37.83 33.52 3gbj s LYS 227 CO 0.15 0.20 -0.19 0.42 -0.36 0.00 0.00 175.35 175.57 3gbj s ILE 228 N 0.38 2.56 -0.21 5.43 1.01 0.99 -0.66 121.20 130.70 3gbj s ILE 228 Ca -0.10 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.65 3gbj s ILE 228 Cb -0.16 -2.02 -0.02 0.00 0.01 0.00 0.00 42.46 40.27 3gbj s ILE 228 CO 0.05 0.55 -0.02 -0.89 0.00 0.00 0.00 174.94 174.64 3gbj s THR 229 N 0.21 3.72 -0.27 2.92 2.01 0.17 -0.30 115.64 124.11 3gbj s THR 229 Ca -0.12 -0.38 -0.03 0.00 0.31 0.00 0.00 61.69 61.47 3gbj s THR 229 Cb -0.16 -2.69 0.03 0.00 0.01 0.00 0.00 72.50 69.69 3gbj s THR 229 CO 0.06 0.42 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.18 3gbj s LEU 230 N 1.20 3.50 -0.17 4.42 2.96 0.15 -0.85 118.68 129.89 3gbj s LEU 230 Ca 0.03 -0.94 -0.03 0.00 -0.22 0.00 0.00 54.13 52.98 3gbj s LEU 230 Cb -0.15 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 3gbj s LEU 230 CO 0.00 -0.17 -0.07 -0.89 -1.32 0.00 0.00 176.35 173.90 3gbj s THR 231 N 1.34 3.46 -0.26 3.68 2.01 0.71 -1.00 115.64 125.58 3gbj s THR 231 Ca -0.01 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 61.52 3gbj s THR 231 Cb -0.17 -2.51 0.06 0.00 0.01 0.00 0.00 72.50 69.88 3gbj s THR 231 CO -0.02 0.48 -0.11 -2.28 -0.69 0.00 0.00 174.62 172.00 3gbj s HIS 232 N 0.71 3.21 -0.13 4.92 2.46 0.07 0.28 115.29 126.81 3gbj s HIS 232 Ca -0.03 -2.30 -0.02 0.00 0.47 0.00 0.00 55.06 53.18 3gbj s HIS 232 Cb -0.15 -1.91 -0.03 0.00 -0.13 0.00 0.00 32.58 30.36 3gbj s HIS 232 CO 0.02 -0.87 -0.05 0.99 -2.47 0.00 0.00 174.74 172.36 3gbj s THR 233 N 1.12 3.81 -0.08 0.89 2.01 -0.26 -0.97 115.64 122.16 3gbj s THR 233 Ca -0.09 -0.40 -0.01 0.00 0.31 0.00 0.00 61.69 61.51 3gbj s THR 233 Cb -0.20 -2.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.64 3gbj s THR 233 CO -0.05 0.52 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.61 3gbj s LEU 234 N 0.08 3.39 0.09 4.42 1.43 0.21 -1.09 118.68 127.20 3gbj s LEU 234 Ca -0.01 0.06 0.06 0.00 -1.03 0.00 0.00 54.13 53.22 3gbj s LEU 234 Cb -0.14 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 3gbj s LEU 234 CO 0.03 0.37 -0.07 -0.31 0.23 0.00 0.00 176.35 176.59 3gbj s TYR 235 N -0.84 2.81 0.26 0.29 1.51 -0.05 -0.81 117.35 120.52 3gbj s TYR 235 Ca 0.13 -0.11 -0.02 0.00 -1.01 0.00 0.00 57.07 56.05 3gbj s TYR 235 Cb -0.11 -1.48 0.06 0.00 -0.11 0.00 0.00 41.96 40.32 3gbj s TYR 235 CO 0.02 0.43 0.35 -0.40 -1.11 0.00 0.00 175.55 174.84 3gbj n ASP 236 N 0.77 0.24 0.30 2.29 5.68 0.11 -4.78 116.55 121.15 3gbj n ASP 236 Ca -0.13 -1.25 0.19 0.00 -0.50 0.00 0.00 54.79 53.10 3gbj n ASP 236 Cb 0.52 -0.25 0.86 0.00 -1.14 0.00 0.00 41.12 41.11 3gbj n ASP 236 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 3gbj h VAL 237 N -0.81 0.01 -0.44 2.12 3.04 -2.01 -1.87 116.25 116.30 3gbj h VAL 237 Ca -0.11 -0.36 -0.09 0.00 -1.01 0.00 0.00 66.70 65.13 3gbj h VAL 237 Cb 0.37 1.35 -0.05 0.00 -2.01 0.00 0.00 31.29 30.95 3gbj h VAL 237 CO 0.10 0.00 0.06 2.29 -1.01 0.00 0.00 177.57 179.02 3gbj n LYS 238 N -3.10 3.19 -1.52 4.17 0.00 -1.26 -4.92 118.16 114.72 3gbj n LYS 238 Ca -0.01 -3.00 -0.18 0.00 -0.00 0.00 0.00 58.31 55.12 3gbj n LYS 238 Cb 0.23 -1.99 -0.08 0.00 -0.00 0.00 0.00 35.03 33.19 3gbj n LYS 238 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 3gbj n SER 239 N -0.39 -5.40 -4.91 -5.58 7.64 -0.70 -5.00 113.62 99.28 3gbj n SER 239 Ca 0.29 0.44 -0.27 0.00 1.01 0.00 0.00 58.87 60.35 3gbj n SER 239 Cb 1.09 -4.48 0.04 0.00 -1.01 0.00 0.00 64.21 59.85 3gbj n SER 239 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3gbj s GLY 240 N -2.73 1.62 -0.07 0.23 0.00 -1.26 -4.80 107.32 100.32 3gbj s GLY 240 Ca 0.00 -0.65 -0.26 0.00 0.00 0.00 0.00 44.72 43.81 3gbj s GLY 240 CO 0.00 -0.34 0.83 -1.59 0.00 0.00 0.00 173.10 172.00 3gbj s THR 241 N -3.09 4.95 0.00 0.90 2.01 -1.26 0.06 115.64 119.21 3gbj s THR 241 Ca 0.55 1.70 0.00 0.00 0.31 0.00 0.00 61.69 64.25 3gbj s THR 241 Cb -0.11 -4.16 0.00 0.00 0.01 0.00 0.00 72.50 68.25 3gbj s THR 241 CO 0.46 0.17 0.00 -1.54 -0.69 0.00 0.00 174.62 173.02 3gbj n SER 242 N 4.15 0.40 -3.57 3.53 3.41 0.01 -4.80 113.62 116.75 3gbj n SER 242 Ca 0.03 -0.42 -0.14 0.00 -0.26 0.00 0.00 58.87 58.07 3gbj n SER 242 Cb 0.51 0.92 -0.06 0.00 -0.26 0.00 0.00 64.21 65.32 3gbj n SER 242 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3gbj s GLY 243 N -1.00 -0.43 -0.29 5.00 0.00 -0.99 -4.97 107.32 104.64 3gbj s GLY 243 Ca 0.00 1.79 -0.13 0.00 0.00 0.00 0.00 44.72 46.37 3gbj s GLY 243 CO 0.00 1.19 0.71 1.85 0.00 0.00 0.00 173.10 176.86 3gbj s GLU 244 N -0.78 0.60 -0.05 2.90 2.12 -1.26 0.64 118.70 122.88 3gbj s GLU 244 Ca -0.05 1.25 0.05 0.00 0.36 0.00 0.00 54.97 56.58 3gbj s GLU 244 Cb -0.01 0.47 -0.02 0.00 0.26 0.00 0.00 34.13 34.83 3gbj s GLU 244 CO 0.04 -0.16 -0.19 0.15 -0.54 0.00 0.00 175.26 174.56 3gbj s LYS 245 N 2.21 2.47 -0.13 4.30 1.02 -0.14 -4.97 119.74 124.50 3gbj s LYS 245 Ca -0.08 -0.79 0.03 0.00 0.02 0.00 0.00 55.97 55.15 3gbj s LYS 245 Cb -0.08 -2.27 0.01 0.00 -0.52 0.00 0.00 37.83 34.96 3gbj s LYS 245 CO -0.19 0.54 -0.22 0.08 -0.92 0.00 0.00 175.35 174.64 3gbj s VAL 246 N -0.53 2.03 -0.09 3.17 1.01 -1.26 -0.75 120.40 123.98 3gbj s VAL 246 Ca 0.07 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.11 3gbj s VAL 246 Cb -0.11 -1.78 0.01 0.00 0.00 0.00 0.00 36.38 34.49 3gbj s VAL 246 CO 0.01 0.55 -0.19 -0.83 0.00 0.00 0.00 175.10 174.63 3gbj s GLY 247 N 0.70 1.12 -0.08 4.51 0.00 -0.17 -3.96 107.32 109.44 3gbj s GLY 247 Ca -0.10 -0.76 -0.01 0.00 0.00 0.00 0.00 44.72 43.85 3gbj s GLY 247 CO 0.01 -0.13 -0.03 0.54 0.00 0.00 0.00 173.10 173.48 3gbj s LYS 248 N 0.50 2.89 -0.11 2.90 1.02 -1.19 -0.67 119.74 125.07 3gbj s LYS 248 Ca -0.16 -0.48 0.01 0.00 0.02 0.00 0.00 55.97 55.35 3gbj s LYS 248 Cb -0.17 -2.70 0.02 0.00 -0.52 0.00 0.00 37.83 34.46 3gbj s LYS 248 CO 0.06 0.67 -0.12 -0.51 -0.92 0.00 0.00 175.35 174.53 3gbj s LEU 249 N -0.81 1.52 -0.29 3.17 1.43 0.59 -1.31 118.68 122.98 3gbj s LEU 249 Ca 0.12 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 3gbj s LEU 249 Cb -0.11 -0.98 0.06 0.00 0.03 0.00 0.00 46.19 45.19 3gbj s LEU 249 CO 0.02 -0.04 -0.03 -0.44 0.23 0.00 0.00 176.35 176.09 3gbj s SER 250 N 1.26 4.75 -0.26 2.29 0.01 -0.21 -0.01 113.70 121.53 3gbj s SER 250 Ca -0.02 -1.40 -0.07 0.00 1.31 0.00 0.00 55.95 55.77 3gbj s SER 250 Cb -0.14 -1.66 -0.01 0.00 0.21 0.00 0.00 66.02 64.42 3gbj s SER 250 CO -0.05 -0.26 0.06 -0.76 0.41 0.00 0.00 173.24 172.65 3gbj s LEU 251 N 1.17 3.53 -0.15 2.44 1.43 0.96 -1.29 118.68 126.78 3gbj s LEU 251 Ca -0.05 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.64 3gbj s LEU 251 Cb -0.20 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.14 3gbj s LEU 251 CO -0.03 -0.09 -0.20 -0.69 0.23 0.00 0.00 176.35 175.57 3gbj s VAL 252 N 1.56 2.22 -0.52 -1.59 1.01 0.96 -0.79 120.40 123.25 3gbj s VAL 252 Ca 0.05 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 60.99 3gbj s VAL 252 Cb -0.16 -1.91 0.13 0.00 0.00 0.00 0.00 36.38 34.44 3gbj s VAL 252 CO 0.02 0.54 0.43 -0.62 0.00 0.00 0.00 175.10 175.47 3gbj s ASP 253 N 0.94 5.96 0.61 3.32 -1.08 0.16 -1.10 116.67 125.47 3gbj s ASP 253 Ca -0.04 -1.89 -0.16 0.00 -0.52 0.00 0.00 52.55 49.94 3gbj s ASP 253 Cb -0.15 -2.11 -0.03 0.00 -1.46 0.00 0.00 42.92 39.17 3gbj s ASP 253 CO -0.04 -0.77 1.08 -0.76 0.52 0.00 0.00 175.17 175.21 3gbj s LEU 254 N 1.42 3.51 0.57 -1.34 1.43 -1.02 -0.63 118.68 122.62 3gbj s LEU 254 Ca 0.05 1.93 -0.20 0.00 -1.03 0.00 0.00 54.13 54.87 3gbj s LEU 254 Cb -0.27 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.36 3gbj s LEU 254 CO 0.01 -1.32 1.22 0.00 0.23 0.00 0.00 176.35 176.50 3gbj n ALA 255 N -2.03 1.05 -1.65 4.21 0.00 -0.95 -4.82 120.51 116.31 3gbj n ALA 255 Ca 0.10 0.08 -0.41 0.00 0.00 0.00 0.00 53.44 53.20 3gbj n ALA 255 Cb 0.52 -2.27 0.01 0.00 0.00 0.00 0.00 19.45 17.71 3gbj n ALA 255 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gbj n GLY 256 N 0.95 0.14 0.71 0.00 0.00 -0.22 -4.70 105.19 102.07 3gbj n GLY 256 Ca 0.12 0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.43 3gbj n GLY 256 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gbj n SER 257 N 0.36 2.38 -4.76 1.61 3.41 -0.96 -4.89 113.62 110.77 3gbj n SER 257 Ca 0.08 -1.71 -0.37 0.00 -0.26 0.00 0.00 58.87 56.61 3gbj n SER 257 Cb 0.39 0.16 0.02 0.00 -0.26 0.00 0.00 64.21 64.52 3gbj n SER 257 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3gbj s GLU 258 N -2.19 3.27 0.09 4.33 1.03 -1.26 -4.94 118.70 119.04 3gbj s GLU 258 Ca 0.26 1.90 -0.30 0.00 0.03 0.00 0.00 54.97 56.85 3gbj s GLU 258 Cb 0.19 -2.16 -0.05 0.00 -0.80 0.00 0.00 34.13 31.31 3gbj s GLU 258 CO 0.41 -0.98 1.01 -0.98 -1.33 0.00 0.00 175.26 173.38 3gbj s ARG 259 N -3.03 4.63 0.41 -4.83 3.03 -1.26 -5.00 118.95 112.90 3gbj s ARG 259 Ca 0.72 1.51 -0.24 0.00 2.03 0.00 0.00 55.73 59.75 3gbj s ARG 259 Cb -0.32 -3.38 -0.08 0.00 -1.03 0.00 0.00 34.95 30.14 3gbj s ARG 259 CO 0.37 0.09 1.14 0.00 -1.13 0.00 0.00 175.30 175.76 3gbj s ALA 260 N 0.27 3.09 -0.08 7.88 0.00 -1.26 -5.05 121.76 126.62 3gbj s ALA 260 Ca 0.49 0.89 -0.00 0.00 0.00 0.00 0.00 51.96 53.34 3gbj s ALA 260 Cb -0.24 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 3gbj s ALA 260 CO 0.30 -0.47 -0.06 0.95 0.00 0.00 0.00 175.76 176.48 3gbj s THR 261 N -1.51 3.78 -0.11 0.00 -4.23 -1.26 -5.09 115.64 107.22 3gbj s THR 261 Ca 0.59 -0.44 -0.24 0.00 -1.18 0.00 0.00 61.69 60.41 3gbj s THR 261 Cb -0.28 -2.56 -0.03 0.00 1.34 0.00 0.00 72.50 70.97 3gbj s THR 261 CO 0.35 0.59 0.77 -1.59 -0.54 0.00 0.00 174.62 174.19 3gbj s LYS 262 N -0.65 4.38 0.00 3.99 0.00 -1.26 -4.87 119.74 121.33 3gbj s LYS 262 Ca 0.10 0.96 0.00 0.00 0.00 0.00 0.00 55.97 57.03 3gbj s LYS 262 Cb -0.12 -3.50 0.00 0.00 0.00 0.00 0.00 37.83 34.21 3gbj s LYS 262 CO 0.02 -0.10 0.69 0.25 0.00 0.00 0.00 175.35 176.21 3gbj n THR 263 N 4.19 0.39 -1.13 3.79 -2.24 -1.26 -5.36 114.28 112.67 3gbj n THR 263 Ca 0.01 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 3gbj n THR 263 Cb 0.50 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 3gbj n THR 263 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gbj n GLY 264 N -0.19 -0.18 0.00 3.38 0.00 -1.26 -5.39 105.19 101.55 3gbj n GLY 264 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3gbj n GLY 264 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gbj n LYS 271 N -0.57 0.00 -0.10 1.61 4.01 -1.26 -5.33 118.16 116.52 3gbj n LYS 271 Ca 0.00 0.00 -0.06 0.00 -0.51 0.00 0.00 58.31 57.74 3gbj n LYS 271 Cb 0.20 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.72 3gbj n LYS 271 CO 0.00 0.00 0.00 1.05 -1.11 0.00 0.00 177.40 177.34 3gbj h GLU 272 N 0.00 -0.02 -1.00 1.97 -0.00 -2.01 -0.47 114.58 113.05 3gbj h GLU 272 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 59.36 59.45 3gbj h GLU 272 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 28.75 28.68 3gbj h GLU 272 CO 0.00 -0.01 0.64 0.78 -0.00 0.00 0.00 179.01 180.42 3gbj h GLY 273 N -0.02 1.58 0.94 1.06 0.00 -1.97 -0.31 103.07 104.35 3gbj h GLY 273 Ca 0.17 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 46.98 3gbj h GLY 273 CO -0.37 0.25 -0.01 1.48 0.00 0.00 0.00 176.54 177.89 3gbj h SER 274 N 1.09 0.68 -0.41 0.19 4.64 -1.66 0.12 113.55 118.20 3gbj h SER 274 Ca 0.46 -0.32 -0.08 0.00 -0.47 0.00 0.00 61.79 61.39 3gbj h SER 274 Cb 0.32 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 3gbj h SER 274 CO -0.22 0.83 -0.01 0.78 -0.87 0.00 0.00 176.83 177.34 3gbj h ASN 275 N 0.51 0.78 -0.06 4.97 2.35 -0.64 -2.06 115.58 121.44 3gbj h ASN 275 Ca 0.11 -0.20 -0.12 0.00 -0.55 0.00 0.00 56.30 55.54 3gbj h ASN 275 Cb 0.49 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 3gbj h ASN 275 CO 0.02 0.86 -0.36 0.40 -1.65 0.00 0.00 177.43 176.70 3gbj h ILE 276 N 0.75 1.29 -0.54 2.81 2.04 -0.88 -2.90 117.51 120.09 3gbj h ILE 276 Ca 0.14 -1.50 -0.07 0.00 1.00 0.00 0.00 64.86 64.43 3gbj h ILE 276 Cb 0.47 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 3gbj h ILE 276 CO 0.02 0.48 0.07 -1.13 0.00 0.00 0.00 178.15 177.59 3gbj h ASN 277 N 0.47 0.87 -0.09 1.72 -0.73 -0.32 -0.89 115.58 116.62 3gbj h ASN 277 Ca 0.05 -0.27 0.01 0.00 1.87 0.00 0.00 56.30 57.96 3gbj h ASN 277 Cb 0.85 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 39.20 3gbj h ASN 277 CO 0.07 0.92 0.03 0.11 -0.37 0.00 0.00 177.43 178.19 3gbj h LYS 278 N 0.79 0.07 0.03 6.67 1.79 -1.36 0.23 116.57 124.78 3gbj h LYS 278 Ca 0.16 -0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.64 3gbj h LYS 278 Cb 0.43 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.05 3gbj h LYS 278 CO 0.01 0.04 -0.11 1.03 -1.08 0.00 0.00 179.45 179.35 3gbj h SER 279 N 0.07 -0.31 -0.57 0.86 0.87 -1.34 -0.03 113.55 113.11 3gbj h SER 279 Ca 0.04 0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.56 3gbj h SER 279 Cb 0.02 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 3gbj h SER 279 CO -0.04 -0.16 0.03 -0.07 -0.53 0.00 0.00 176.83 176.06 3gbj h LEU 280 N -0.20 0.98 -0.64 2.23 3.38 -1.04 -0.50 115.31 119.50 3gbj h LEU 280 Ca 0.03 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3gbj h LEU 280 Cb 0.23 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3gbj h LEU 280 CO -0.09 1.01 0.34 0.74 0.09 0.00 0.00 178.44 180.54 3gbj h THR 281 N 0.93 1.21 -0.46 0.22 2.02 -0.32 -0.85 112.91 115.66 3gbj h THR 281 Ca 0.18 -0.54 -0.04 0.00 0.77 0.00 0.00 66.41 66.78 3gbj h THR 281 Cb 0.49 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 3gbj h THR 281 CO 0.02 0.23 0.15 0.74 0.37 0.00 0.00 175.52 177.03 3gbj h THR 282 N 0.88 1.22 -0.85 3.16 2.02 -0.60 -1.21 112.91 117.53 3gbj h THR 282 Ca 0.23 -0.74 0.04 0.00 0.77 0.00 0.00 66.41 66.71 3gbj h THR 282 Cb 0.06 0.84 -0.05 0.00 -1.74 0.00 0.00 68.15 67.26 3gbj h THR 282 CO -0.03 0.27 0.56 0.25 0.37 0.00 0.00 175.52 176.93 3gbj h LEU 283 N 0.60 0.90 -0.18 2.58 5.85 -0.95 -0.51 115.31 123.61 3gbj h LEU 283 Ca 0.15 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.88 3gbj h LEU 283 Cb 0.26 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 3gbj h LEU 283 CO -0.01 0.62 0.06 1.23 -0.34 0.00 0.00 178.44 180.00 3gbj h GLY 284 N 1.04 0.21 1.26 3.75 0.00 -0.55 -1.19 103.07 107.59 3gbj h GLY 284 Ca 0.34 -0.03 -0.08 0.00 0.00 0.00 0.00 47.33 47.56 3gbj h GLY 284 CO -0.10 0.02 0.02 1.41 0.00 0.00 0.00 176.54 177.89 3gbj h LEU 285 N 0.14 0.87 0.36 3.11 3.38 -0.45 -1.12 115.31 121.59 3gbj h LEU 285 Ca 0.08 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3gbj h LEU 285 Cb 0.05 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3gbj h LEU 285 CO -0.08 0.92 -0.17 0.58 0.09 0.00 0.00 178.44 179.78 3gbj h VAL 286 N 0.84 0.66 -0.57 1.22 2.07 -0.95 -1.93 116.25 117.59 3gbj h VAL 286 Ca 0.16 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.36 3gbj h VAL 286 Cb 0.47 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3gbj h VAL 286 CO 0.02 0.07 0.35 0.40 0.02 0.00 0.00 177.57 178.43 3gbj h ILE 287 N -0.67 1.08 -0.09 4.57 2.04 -1.13 -1.24 117.51 122.07 3gbj h ILE 287 Ca -0.05 -0.24 0.03 0.00 1.00 0.00 0.00 64.86 65.60 3gbj h ILE 287 Cb 0.48 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 3gbj h ILE 287 CO 0.08 0.13 -0.07 0.77 0.00 0.00 0.00 178.15 179.06 3gbj h SER 288 N 0.70 -0.21 -0.78 1.72 4.64 -1.21 0.25 113.55 118.66 3gbj h SER 288 Ca 0.22 0.05 0.01 0.00 -0.47 0.00 0.00 61.79 61.60 3gbj h SER 288 Cb -0.01 0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 62.16 3gbj h SER 288 CO -0.08 -0.09 0.51 0.00 -0.87 0.00 0.00 176.83 176.29 3gbj h ALA 289 N 1.00 0.99 -0.56 5.18 0.00 -1.05 0.21 119.26 125.04 3gbj h ALA 289 Ca 0.06 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3gbj h ALA 289 Cb 0.16 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3gbj h ALA 289 CO -0.14 0.41 -0.08 -0.07 0.00 0.00 0.00 179.25 179.37 3gbj h LEU 290 N 1.06 1.04 -1.49 0.00 3.38 -0.96 -2.62 115.31 115.72 3gbj h LEU 290 Ca 0.29 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3gbj h LEU 290 Cb -0.11 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.34 3gbj h LEU 290 CO -0.06 1.13 0.07 0.00 0.09 0.00 0.00 178.44 179.67 3gbj h ALA 291 N 0.94 1.59 0.00 1.53 0.00 0.42 -0.08 119.26 123.66 3gbj h ALA 291 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3gbj h ALA 291 Cb 0.65 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3gbj h ALA 291 CO 0.04 0.31 0.00 0.38 0.00 0.00 0.00 179.25 179.98 3gbj h ASP 292 N 0.40 0.00 -2.23 0.00 -0.00 -0.24 -3.47 116.42 110.87 3gbj h ASP 292 Ca 0.10 0.00 -0.45 0.00 -0.00 0.00 0.00 57.03 56.67 3gbj h ASP 292 Cb 0.16 0.00 0.06 0.00 -0.00 0.00 0.00 39.33 39.55 3gbj h ASP 292 CO -0.00 0.00 0.02 -1.10 -0.00 0.00 0.00 179.24 178.16 3gbj s GLN 293 N -3.57 2.14 0.00 4.15 -0.21 -0.05 -5.09 119.66 117.03 3gbj s GLN 293 Ca 0.02 -0.99 0.00 0.00 0.02 0.00 0.00 55.36 54.41 3gbj s GLN 293 Cb 0.09 -2.43 0.00 0.00 1.00 0.00 0.00 33.01 31.67 3gbj s GLN 293 CO 0.48 -1.05 0.32 0.09 -2.12 0.00 0.00 175.29 173.00 3gbj n ASN 300 N -2.55 0.00 -4.30 5.90 3.02 -1.26 -5.11 115.26 110.96 3gbj n ASN 300 Ca 0.12 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.30 3gbj n ASN 300 Cb 0.60 -0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.83 3gbj n ASN 300 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3gbj n LYS 301 N -0.82 0.09 -3.21 3.52 4.01 -1.26 -4.94 118.16 115.55 3gbj n LYS 301 Ca 0.00 0.05 -0.39 0.00 -0.51 0.00 0.00 58.31 57.47 3gbj n LYS 301 Cb 0.32 -1.45 -0.05 0.00 -0.51 0.00 0.00 35.03 33.33 3gbj n LYS 301 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 3gbj s PHE 302 N -2.01 3.53 -0.20 2.13 5.36 -1.26 -5.06 117.98 120.47 3gbj s PHE 302 Ca 0.56 1.02 0.01 0.00 -0.96 0.00 0.00 56.93 57.56 3gbj s PHE 302 Cb -0.32 -2.65 0.03 0.00 -0.34 0.00 0.00 43.02 39.73 3gbj s PHE 302 CO 0.67 0.13 -0.17 0.08 -1.46 0.00 0.00 175.22 174.48 3gbj s VAL 303 N 0.71 2.20 -0.27 3.12 1.01 -1.26 -4.97 120.40 120.94 3gbj s VAL 303 Ca 0.30 -1.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 3gbj s VAL 303 Cb -0.16 -2.01 -0.11 0.00 0.00 0.00 0.00 36.38 34.10 3gbj s VAL 303 CO 0.13 0.40 3.20 -2.65 0.00 0.00 0.00 175.10 176.19 3gbj n PRO 304 N 4.60 2.27 -0.31 2.72 -0.02 -1.26 -4.74 135.00 138.25 3gbj n PRO 304 Ca -0.19 -1.69 0.12 0.00 -2.02 0.00 0.00 63.50 59.71 3gbj n PRO 304 Cb 0.48 -2.10 0.29 0.00 -0.02 0.00 0.00 33.50 32.16 3gbj n PRO 304 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 3gbj h TYR 305 N 3.07 0.79 0.00 6.00 0.05 -1.95 -2.20 116.97 122.74 3gbj h TYR 305 Ca 0.31 0.04 0.00 0.00 0.05 0.00 0.00 58.73 59.13 3gbj h TYR 305 Cb 1.10 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.63 3gbj h TYR 305 CO 1.64 0.08 0.00 0.54 -1.05 0.00 0.00 178.16 179.37 3gbj n ARG 306 N -4.93 0.35 0.00 4.88 5.12 -1.26 -2.03 116.66 118.79 3gbj n ARG 306 Ca 0.21 0.06 0.11 0.00 -1.93 0.00 0.00 57.85 56.30 3gbj n ARG 306 Cb 0.58 -1.50 0.57 0.00 -1.16 0.00 0.00 32.46 30.95 3gbj n ARG 306 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3gbj n ASP 307 N -1.28 0.00 -3.61 0.55 9.92 -0.83 -4.77 116.55 116.53 3gbj n ASP 307 Ca 0.12 0.02 -0.16 0.00 -0.53 0.00 0.00 54.79 54.24 3gbj n ASP 307 Cb 0.19 -0.31 -0.07 0.00 -0.64 0.00 0.00 41.12 40.29 3gbj n ASP 307 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3gbj s SER 308 N -2.62 -0.49 0.20 -2.24 1.04 -1.21 -4.93 113.70 103.44 3gbj s SER 308 Ca 0.21 0.52 -0.11 0.00 0.48 0.00 0.00 55.95 57.04 3gbj s SER 308 Cb 0.15 0.49 0.17 0.00 0.10 0.00 0.00 66.02 66.94 3gbj s SER 308 CO 0.36 -0.54 1.83 1.62 0.98 0.00 0.00 173.24 177.49 3gbj h VAL 309 N 3.35 1.05 0.48 5.02 3.04 -1.86 -1.40 116.25 125.94 3gbj h VAL 309 Ca -0.28 -0.26 -0.01 0.00 -1.01 0.00 0.00 66.70 65.14 3gbj h VAL 309 Cb 1.15 0.24 -0.01 0.00 -2.01 0.00 0.00 31.29 30.67 3gbj h VAL 309 CO 0.38 0.14 -0.34 0.25 -1.01 0.00 0.00 177.57 176.99 3gbj h LEU 310 N 0.74 -0.87 -1.55 3.16 5.85 -1.96 -1.13 115.31 119.56 3gbj h LEU 310 Ca 0.26 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 59.00 3gbj h LEU 310 Cb 0.06 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3gbj h LEU 310 CO -0.12 -0.51 -0.21 0.71 -0.34 0.00 0.00 178.44 177.97 3gbj h THR 311 N -0.80 0.73 0.01 1.05 1.35 -1.73 -2.28 112.91 111.24 3gbj h THR 311 Ca -0.05 -0.87 -0.09 0.00 -0.55 0.00 0.00 66.41 64.85 3gbj h THR 311 Cb 0.67 1.54 0.01 0.00 -1.73 0.00 0.00 68.15 68.64 3gbj h THR 311 CO 0.02 0.20 -0.37 -0.25 -0.25 0.00 0.00 175.52 174.87 3gbj h TRP 312 N 0.00 0.35 0.00 4.73 7.01 -0.64 -2.39 115.95 125.01 3gbj h TRP 312 Ca -0.00 -0.20 -0.02 0.00 2.11 0.00 0.00 58.89 60.78 3gbj h TRP 312 Cb 0.52 -0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 27.54 3gbj h TRP 312 CO 0.00 1.03 -0.08 -0.07 -2.79 0.00 0.00 178.44 176.53 3gbj h LEU 313 N -0.42 0.00 -2.64 0.65 3.38 -0.97 -2.08 115.31 113.23 3gbj h LEU 313 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3gbj h LEU 313 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3gbj h LEU 313 CO 0.07 0.08 0.00 0.18 0.09 0.00 0.00 178.44 178.86 3gbj n LEU 314 N -3.99 3.49 -0.31 1.67 4.77 -0.88 -4.55 117.00 117.20 3gbj n LEU 314 Ca -0.03 -1.85 0.15 0.00 -0.03 0.00 0.00 56.01 54.25 3gbj n LEU 314 Cb 0.16 -0.35 0.33 0.00 -2.33 0.00 0.00 43.42 41.23 3gbj n LEU 314 CO 0.31 0.84 1.06 0.50 -1.33 0.00 0.00 177.39 178.77 3gbj h LYS 315 N 3.61 0.39 -0.17 3.23 3.64 -0.83 0.37 116.57 126.81 3gbj h LYS 315 Ca 0.00 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 3gbj h LYS 315 Cb 0.90 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 3gbj h LYS 315 CO 0.00 0.26 -0.01 0.38 -2.27 0.00 0.00 179.45 177.81 3gbj h ASP 316 N 0.40 0.22 -0.40 4.20 2.03 -1.81 -1.45 116.42 119.61 3gbj h ASP 316 Ca 0.58 -0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.86 3gbj h ASP 316 Cb 1.14 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.58 3gbj h ASP 316 CO -0.54 0.28 0.00 -1.20 -1.03 0.00 0.00 179.24 176.75 3gbj n SER 317 N -4.38 3.29 -0.09 4.15 7.64 -0.01 -4.33 113.62 119.89 3gbj n SER 317 Ca -0.00 -1.94 -0.13 0.00 1.01 0.00 0.00 58.87 57.81 3gbj n SER 317 Cb 0.18 -0.26 -0.08 0.00 -1.01 0.00 0.00 64.21 63.04 3gbj n SER 317 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3gbj n LEU 318 N 1.25 2.79 0.00 -3.43 4.77 -0.43 -4.25 117.00 117.70 3gbj n LEU 318 Ca 0.17 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 3gbj n LEU 318 Cb 0.54 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 3gbj n LEU 318 CO 0.14 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 3gbj n GLY 319 N 2.59 -0.78 7.00 -0.72 0.00 -0.58 -4.65 105.19 108.05 3gbj n GLY 319 Ca -0.31 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.07 3gbj n GLY 319 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gbj n GLY 320 N 5.00 2.97 2.21 -0.02 0.00 -1.26 -2.12 105.19 111.96 3gbj n GLY 320 Ca 0.00 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 3gbj n GLY 320 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gbj n ASN 321 N 2.44 4.47 -4.85 1.61 3.02 -1.26 -5.01 115.26 115.68 3gbj n ASN 321 Ca 0.00 -3.65 -0.31 0.00 -0.03 0.00 0.00 54.58 50.58 3gbj n ASN 321 Cb 0.00 -0.86 -0.00 0.00 -0.61 0.00 0.00 39.78 38.31 3gbj n ASN 321 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3gbj s SER 322 N -1.47 6.25 -0.09 6.41 0.01 -0.90 -4.60 113.70 119.32 3gbj s SER 322 Ca 0.58 1.51 0.01 0.00 1.31 0.00 0.00 55.95 59.37 3gbj s SER 322 Cb 0.48 -2.49 -0.02 0.00 0.21 0.00 0.00 66.02 64.20 3gbj s SER 322 CO 0.08 -0.85 -0.12 -0.54 0.41 0.00 0.00 173.24 172.22 3gbj s LYS 323 N -4.73 2.93 -0.07 12.44 1.02 -0.11 -4.57 119.74 126.64 3gbj s LYS 323 Ca 0.57 -0.66 0.05 0.00 0.02 0.00 0.00 55.97 55.95 3gbj s LYS 323 Cb -0.11 -2.53 -0.00 0.00 -0.52 0.00 0.00 37.83 34.66 3gbj s LYS 323 CO 0.46 0.46 -0.23 0.99 -0.92 0.00 0.00 175.35 176.11 3gbj s THR 324 N -0.28 1.89 -0.11 2.17 2.01 0.54 -1.64 115.64 120.22 3gbj s THR 324 Ca 0.02 -0.95 0.03 0.00 0.31 0.00 0.00 61.69 61.10 3gbj s THR 324 Cb -0.13 -1.62 0.01 0.00 0.01 0.00 0.00 72.50 70.77 3gbj s THR 324 CO 0.03 0.53 -0.19 0.00 -0.69 0.00 0.00 174.62 174.29 3gbj s ALA 325 N 0.10 1.92 -0.11 7.40 0.00 -0.18 -0.62 121.76 130.27 3gbj s ALA 325 Ca -0.10 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.05 3gbj s ALA 325 Cb -0.15 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.15 3gbj s ALA 325 CO 0.05 0.08 -0.23 1.41 0.00 0.00 0.00 175.76 177.07 3gbj s MET 326 N 0.70 3.00 -0.28 0.00 -2.45 0.81 -0.69 119.30 120.39 3gbj s MET 326 Ca -0.12 -0.86 -0.07 0.00 -1.25 0.00 0.00 55.69 53.39 3gbj s MET 326 Cb -0.16 -2.30 -0.01 0.00 1.25 0.00 0.00 34.83 33.61 3gbj s MET 326 CO 0.02 0.13 0.08 0.08 1.05 0.00 0.00 175.02 176.38 3gbj s VAL 327 N 0.46 4.11 -0.43 10.11 1.01 0.00 0.21 120.40 135.88 3gbj s VAL 327 Ca -0.16 -0.47 -0.20 0.00 0.00 0.00 0.00 61.98 61.15 3gbj s VAL 327 Cb -0.17 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 33.19 3gbj s VAL 327 CO 0.06 0.19 0.60 0.00 0.00 0.00 0.00 175.10 175.95 3gbj s ALA 328 N 1.55 3.36 0.12 5.51 0.00 0.19 -1.21 121.76 131.28 3gbj s ALA 328 Ca 0.04 -1.26 -0.23 0.00 0.00 0.00 0.00 51.96 50.51 3gbj s ALA 328 Cb -0.16 -3.25 -0.07 0.00 0.00 0.00 0.00 23.12 19.64 3gbj s ALA 328 CO 0.03 -1.73 0.69 0.95 0.00 0.00 0.00 175.76 175.70 3gbj s THR 329 N 2.68 4.53 0.02 0.00 -4.23 0.45 -1.37 115.64 117.73 3gbj s THR 329 Ca 0.21 1.51 -0.04 0.00 -1.18 0.00 0.00 61.69 62.19 3gbj s THR 329 Cb -0.15 -4.04 -0.01 0.00 1.34 0.00 0.00 72.50 69.64 3gbj s THR 329 CO 0.18 0.53 0.06 0.68 -0.54 0.00 0.00 174.62 175.52 3gbj s VAL 330 N -1.05 0.11 0.30 2.29 -7.23 -0.14 -4.25 120.40 110.44 3gbj s VAL 330 Ca 0.33 -0.94 -0.24 0.00 -1.81 0.00 0.00 61.98 59.31 3gbj s VAL 330 Cb -0.22 -0.57 -0.10 0.00 0.56 0.00 0.00 36.38 36.05 3gbj s VAL 330 CO 0.23 -0.52 0.89 -0.55 -0.31 0.00 0.00 175.10 174.85 3gbj s SER 331 N -1.72 7.27 0.00 4.85 0.15 -1.26 -1.92 113.70 121.07 3gbj s SER 331 Ca -0.11 1.74 0.29 0.00 0.70 0.00 0.00 55.95 58.57 3gbj s SER 331 Cb -0.06 -2.54 1.23 0.00 -1.71 0.00 0.00 66.02 62.94 3gbj s SER 331 CO -0.02 -0.05 1.91 -0.81 1.20 0.00 0.00 173.24 175.47 3gbj n PRO 332 N 0.57 0.08 -3.35 5.44 -0.05 -1.26 -4.88 135.00 131.55 3gbj n PRO 332 Ca 0.01 -0.01 -0.35 0.00 -0.05 0.00 0.00 63.50 63.10 3gbj n PRO 332 Cb 0.50 -1.50 -0.06 0.00 -0.05 0.00 0.00 33.50 32.40 3gbj n PRO 332 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3gbj s ALA 333 N -2.93 3.57 0.38 0.55 0.00 -1.26 -0.66 121.76 121.42 3gbj s ALA 333 Ca 0.16 -0.12 0.16 0.00 0.00 0.00 0.00 51.96 52.16 3gbj s ALA 333 Cb 0.19 -2.53 1.03 0.00 0.00 0.00 0.00 23.12 21.81 3gbj s ALA 333 CO 0.53 0.45 1.77 0.00 0.00 0.00 0.00 175.76 178.51 3gbj h ALA 334 N 3.56 2.11 0.00 0.00 0.00 -1.42 -1.78 119.26 121.73 3gbj h ALA 334 Ca -0.49 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3gbj h ALA 334 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3gbj h ALA 334 CO 0.66 -0.52 0.00 -0.40 0.00 0.00 0.00 179.25 178.99 3gbj n ASP 335 N -4.68 0.00 -0.03 0.00 5.75 -1.26 -2.42 116.55 113.90 3gbj n ASP 335 Ca 0.25 -1.04 0.02 0.00 -0.01 0.00 0.00 54.79 54.01 3gbj n ASP 335 Cb 0.82 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.94 3gbj n ASP 335 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3gbj n ASN 336 N -0.87 1.81 -0.18 -1.12 3.02 -0.67 -4.87 115.26 112.37 3gbj n ASN 336 Ca 0.15 -2.15 -0.04 0.00 -0.03 0.00 0.00 54.58 52.51 3gbj n ASN 336 Cb 0.07 -0.11 0.03 0.00 -0.61 0.00 0.00 39.78 39.16 3gbj n ASN 336 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3gbj h TYR 337 N 0.00 -0.66 -0.31 3.10 5.03 -1.53 0.18 116.97 122.78 3gbj h TYR 337 Ca 0.00 0.06 0.02 0.00 2.58 0.00 0.00 58.73 61.40 3gbj h TYR 337 Cb 0.70 0.37 -0.03 0.00 1.55 0.00 0.00 36.73 39.32 3gbj h TYR 337 CO 0.00 -0.33 0.15 -0.44 -1.32 0.00 0.00 178.16 176.22 3gbj h ASP 338 N -0.12 0.21 0.09 -2.11 3.32 -1.89 0.62 116.42 116.54 3gbj h ASP 338 Ca 0.25 0.02 -0.18 0.00 0.02 0.00 0.00 57.03 57.13 3gbj h ASP 338 Cb 0.51 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 3gbj h ASP 338 CO -0.63 0.16 -0.67 -0.33 -1.72 0.00 0.00 179.24 176.06 3gbj h GLU 339 N 0.31 0.54 -0.26 3.56 4.39 -1.74 -0.97 114.58 120.42 3gbj h GLU 339 Ca 0.13 -0.40 -0.00 0.00 0.34 0.00 0.00 59.36 59.43 3gbj h GLU 339 Cb 0.06 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 3gbj h GLU 339 CO -0.10 1.02 0.14 1.15 -1.16 0.00 0.00 179.01 180.06 3gbj h THR 340 N 0.39 1.11 -0.43 1.13 2.02 -0.22 0.90 112.91 117.82 3gbj h THR 340 Ca -0.02 -0.30 0.03 0.00 0.77 0.00 0.00 66.41 66.89 3gbj h THR 340 Cb 1.24 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 68.46 3gbj h THR 340 CO 0.12 0.11 0.22 0.25 0.37 0.00 0.00 175.52 176.60 3gbj h LEU 341 N 0.30 0.34 -0.59 2.58 5.85 0.40 -0.57 115.31 123.62 3gbj h LEU 341 Ca 0.09 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.84 3gbj h LEU 341 Cb 0.06 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3gbj h LEU 341 CO -0.01 0.24 0.39 -1.28 -0.34 0.00 0.00 178.44 177.43 3gbj h SER 342 N 0.45 0.67 -0.78 1.25 0.87 -0.88 -1.64 113.55 113.48 3gbj h SER 342 Ca 0.18 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.69 3gbj h SER 342 Cb 0.07 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 61.83 3gbj h SER 342 CO -0.12 0.48 0.35 0.74 -0.53 0.00 0.00 176.83 177.75 3gbj h THR 343 N 0.79 1.25 -0.70 2.23 2.02 -0.29 -0.97 112.91 117.25 3gbj h THR 343 Ca 0.22 -0.76 -0.03 0.00 0.77 0.00 0.00 66.41 66.61 3gbj h THR 343 Cb -0.08 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 66.59 3gbj h THR 343 CO -0.05 0.31 0.30 -0.07 0.37 0.00 0.00 175.52 176.39 3gbj h LEU 344 N 1.12 0.94 -0.55 2.58 3.38 -0.71 -1.05 115.31 121.02 3gbj h LEU 344 Ca 0.27 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 3gbj h LEU 344 Cb 0.17 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3gbj h LEU 344 CO -0.03 0.83 -0.21 0.03 0.09 0.00 0.00 178.44 179.15 3gbj h ARG 345 N 0.98 0.94 -0.52 1.13 3.08 -0.99 0.68 114.38 119.69 3gbj h ARG 345 Ca 0.24 -0.39 0.02 0.00 0.07 0.00 0.00 59.98 59.91 3gbj h ARG 345 Cb 0.17 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 3gbj h ARG 345 CO -0.02 1.06 0.32 -0.92 -1.07 0.00 0.00 179.97 179.33 3gbj h TYR 346 N 0.81 0.61 -0.41 3.04 3.20 -0.95 0.24 116.97 123.50 3gbj h TYR 346 Ca 0.11 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.85 3gbj h TYR 346 Cb 0.77 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 3gbj h TYR 346 CO 0.05 0.36 -0.31 0.00 -1.64 0.00 0.00 178.16 176.62 3gbj h ALA 347 N 1.21 0.67 -0.39 1.82 0.00 -0.91 -1.98 119.26 119.69 3gbj h ALA 347 Ca 0.20 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3gbj h ALA 347 Cb -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3gbj h ALA 347 CO -0.07 0.67 0.21 0.22 0.00 0.00 0.00 179.25 180.28 3gbj h ASP 348 N 0.77 0.49 -0.61 0.00 3.58 -0.65 -2.49 116.42 117.50 3gbj h ASP 348 Ca 0.08 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 3gbj h ASP 348 Cb 0.88 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.78 3gbj h ASP 348 CO 0.08 0.44 0.34 -0.09 -2.88 0.00 0.00 179.24 177.13 3gbj h ARG 349 N 0.50 0.84 0.00 0.28 2.43 -0.75 -2.25 114.38 115.43 3gbj h ARG 349 Ca 0.14 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 3gbj h ARG 349 Cb 0.06 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 3gbj h ARG 349 CO -0.02 0.63 -0.21 0.00 -1.51 0.00 0.00 179.97 178.86 3gbj h ALA 350 N 1.16 1.60 -0.00 2.80 0.00 -1.23 -3.44 119.26 120.16 3gbj h ALA 350 Ca 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3gbj h ALA 350 Cb 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3gbj h ALA 350 CO -0.04 0.26 0.00 0.36 0.00 0.00 0.00 179.25 179.84