#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 4.99 -0.14 3.15 1.01 -1.26 -1.17 120.40 126.98 3gbj s VAL 6 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.00 3gbj s VAL 6 Cb 0.00 -3.17 0.02 0.00 0.00 0.00 0.00 36.38 33.23 3gbj s VAL 6 CO 0.00 0.57 -0.14 -0.75 0.00 0.00 0.00 175.10 174.78 3gbj s LYS 7 N -0.63 2.22 -0.09 2.72 2.36 0.10 -4.97 119.74 121.46 3gbj s LYS 7 Ca 0.12 -0.53 0.03 0.00 -2.55 0.00 0.00 55.97 53.03 3gbj s LYS 7 Cb -0.12 -2.01 -0.01 0.00 -1.05 0.00 0.00 37.83 34.64 3gbj s LYS 7 CO 0.02 -0.19 -0.18 0.08 1.55 0.00 0.00 175.35 176.63 3gbj s VAL 8 N 1.37 2.62 0.14 4.02 1.01 -1.26 -1.13 120.40 127.18 3gbj s VAL 8 Ca 0.02 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.18 3gbj s VAL 8 Cb -0.13 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 3gbj s VAL 8 CO -0.08 0.56 -0.06 0.00 0.00 0.00 0.00 175.10 175.52 3gbj s ALA 9 N -0.04 1.24 -0.03 5.51 0.00 0.23 -1.05 121.76 127.62 3gbj s ALA 9 Ca -0.05 -1.47 0.04 0.00 0.00 0.00 0.00 51.96 50.48 3gbj s ALA 9 Cb -0.14 0.24 -0.00 0.00 0.00 0.00 0.00 23.12 23.22 3gbj s ALA 9 CO 0.04 -0.22 -0.14 0.08 0.00 0.00 0.00 175.76 175.53 3gbj s VAL 10 N -3.54 1.14 -0.09 0.00 1.01 -0.62 -0.76 120.40 117.55 3gbj s VAL 10 Ca 0.17 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.62 3gbj s VAL 10 Cb 0.05 -0.99 -0.00 0.00 0.00 0.00 0.00 36.38 35.44 3gbj s VAL 10 CO -0.01 0.34 -0.23 -0.60 0.00 0.00 0.00 175.10 174.60 3gbj s ARG 11 N 0.02 2.79 -0.27 2.72 3.52 -0.15 -0.49 118.95 127.09 3gbj s ARG 11 Ca -0.02 -0.83 -0.07 0.00 -0.13 0.00 0.00 55.73 54.68 3gbj s ARG 11 Cb -0.09 -2.16 -0.01 0.00 -1.56 0.00 0.00 34.95 31.12 3gbj s ARG 11 CO 0.01 0.20 0.08 0.42 -0.81 0.00 0.00 175.30 175.21 3gbj s ILE 12 N 0.27 4.22 0.69 4.11 1.01 -0.22 -0.87 121.20 130.41 3gbj s ILE 12 Ca -0.15 -0.39 -0.11 0.00 0.00 0.00 0.00 60.65 60.00 3gbj s ILE 12 Cb -0.17 -3.06 0.01 0.00 0.01 0.00 0.00 42.46 39.25 3gbj s ILE 12 CO 0.07 0.22 1.08 0.00 0.00 0.00 0.00 174.94 176.31 3gbj s ARG 13 N 1.57 2.96 0.75 2.79 1.70 -0.87 -1.72 118.95 126.12 3gbj s ARG 13 Ca 0.05 0.59 -0.11 0.00 -0.47 0.00 0.00 55.73 55.79 3gbj s ARG 13 Cb -0.16 -2.02 0.04 0.00 -0.57 0.00 0.00 34.95 32.24 3gbj s ARG 13 CO 0.03 -0.99 1.08 -2.14 -1.08 0.00 0.00 175.30 172.20 3gbj s PRO 14 N -5.27 2.49 0.29 3.89 0.02 -1.22 -4.28 135.00 130.92 3gbj s PRO 14 Ca 0.58 0.92 -0.30 0.00 0.02 0.00 0.00 61.00 62.21 3gbj s PRO 14 Cb -0.12 -1.94 -0.12 0.00 0.02 0.00 0.00 34.50 32.35 3gbj s PRO 14 CO 0.53 -1.41 1.62 -1.64 -0.33 0.00 0.00 177.00 175.77 3gbj s MET 15 N -5.03 4.11 1.06 5.54 -1.94 -1.26 -4.86 119.30 116.91 3gbj s MET 15 Ca 0.60 2.61 -0.18 0.00 -1.71 0.00 0.00 55.69 57.00 3gbj s MET 15 Cb -0.15 -3.02 0.26 0.00 2.01 0.00 0.00 34.83 33.92 3gbj s MET 15 CO 0.55 -0.66 1.14 0.27 -0.01 0.00 0.00 175.02 176.31 3gbj n ASN 16 N 2.34 -1.07 -0.11 3.03 0.23 -1.26 -4.83 115.26 113.59 3gbj n ASN 16 Ca 0.09 -1.28 -0.11 0.00 -0.53 0.00 0.00 54.58 52.75 3gbj n ASN 16 Cb 0.37 -0.96 -0.03 0.00 -2.08 0.00 0.00 39.78 37.08 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 -0.07 -3.83 9.65 -1.99 -1.97 114.38 116.76 3gbj h ARG 17 Ca -0.40 -0.21 -0.00 0.00 -1.10 0.00 0.00 59.98 58.28 3gbj h ARG 17 Cb 1.16 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.69 3gbj h ARG 17 CO 0.27 0.74 0.04 -0.09 2.80 0.00 0.00 179.97 183.73 3gbj h ARG 18 N 0.37 0.09 -0.84 0.20 9.65 -1.99 -0.81 114.38 121.05 3gbj h ARG 18 Ca 0.09 -0.01 0.07 0.00 -1.10 0.00 0.00 59.98 59.03 3gbj h ARG 18 Cb 0.50 -0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 29.01 3gbj h ARG 18 CO 0.02 0.12 0.55 0.93 2.80 0.00 0.00 179.97 184.40 3gbj h GLU 19 N 0.04 0.88 -0.09 0.20 5.08 -1.92 -1.53 114.58 117.24 3gbj h GLU 19 Ca 0.02 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 3gbj h GLU 19 Cb 0.05 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.11 3gbj h GLU 19 CO -0.00 0.58 -0.18 1.15 -1.00 0.00 0.00 179.01 179.56 3gbj h THR 20 N 0.91 1.40 -0.62 1.13 2.02 -0.95 -1.90 112.91 114.90 3gbj h THR 20 Ca 0.37 -1.47 0.07 0.00 0.77 0.00 0.00 66.41 66.14 3gbj h THR 20 Cb 0.27 2.14 -0.06 0.00 -1.74 0.00 0.00 68.15 68.76 3gbj h THR 20 CO -0.14 0.42 0.31 0.44 0.37 0.00 0.00 175.52 176.92 3gbj h ASP 21 N -0.18 0.43 -0.10 4.18 3.32 -0.85 -2.87 116.42 120.35 3gbj h ASP 21 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3gbj h ASP 21 Cb 0.76 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.28 3gbj h ASP 21 CO 0.04 0.27 0.00 0.18 -1.72 0.00 0.00 179.24 178.01 3gbj n LEU 22 N -4.86 1.16 -2.89 1.55 4.77 -0.60 -4.91 117.00 111.22 3gbj n LEU 22 Ca 0.08 -0.47 -0.22 0.00 -0.03 0.00 0.00 56.01 55.37 3gbj n LEU 22 Cb 0.20 -0.06 0.02 0.00 -2.33 0.00 0.00 43.42 41.25 3gbj n LEU 22 CO 0.27 0.23 -0.07 1.41 -1.33 0.00 0.00 177.39 177.91 3gbj n HIS 23 N -0.03 -1.74 -1.69 -1.77 8.25 -1.02 -4.91 115.22 112.31 3gbj n HIS 23 Ca 0.16 0.39 -0.45 0.00 -0.26 0.00 0.00 57.72 57.57 3gbj n HIS 23 Cb 0.26 -4.26 -0.03 0.00 1.12 0.00 0.00 29.99 27.07 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 -4.35 0.36 -2.25 1.59 -1.04 -0.74 -4.91 114.28 102.93 3gbj n THR 24 Ca -0.14 -0.09 -0.39 0.00 -2.04 0.00 0.00 64.05 61.39 3gbj n THR 24 Cb 0.63 -1.64 -0.02 0.00 -1.82 0.00 0.00 70.33 67.48 3gbj n THR 24 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 3gbj s LYS 25 N 0.45 4.18 -0.32 -2.82 -2.85 -1.26 -4.79 119.74 112.33 3gbj s LYS 25 Ca 0.74 1.95 -0.26 0.00 -1.00 0.00 0.00 55.97 57.40 3gbj s LYS 25 Cb -0.62 -2.83 0.01 0.00 -2.06 0.00 0.00 37.83 32.32 3gbj s LYS 25 CO 0.41 -0.25 0.90 0.00 0.10 0.00 0.00 175.35 176.52 3gbj n VAL 27 N 5.72 0.05 -4.00 0.00 0.24 0.25 -4.91 118.33 115.68 3gbj n VAL 27 Ca 0.07 -0.52 -0.34 0.00 -2.04 0.00 0.00 64.34 61.50 3gbj n VAL 27 Cb 0.48 1.41 -0.15 0.00 -1.47 0.00 0.00 33.84 34.11 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 -1.80 2.77 0.21 3.34 1.01 -1.22 -0.34 120.40 124.37 3gbj s VAL 28 Ca 0.27 -0.72 0.10 0.00 0.00 0.00 0.00 61.98 61.63 3gbj s VAL 28 Cb 0.19 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 3gbj s VAL 28 CO 0.28 0.46 -0.17 -1.81 0.00 0.00 0.00 175.10 173.86 3gbj s ASP 29 N 1.39 3.83 -0.07 3.32 1.01 0.36 -4.97 116.67 121.53 3gbj s ASP 29 Ca 0.05 -0.77 0.04 0.00 0.71 0.00 0.00 52.55 52.57 3gbj s ASP 29 Cb -0.14 -0.47 0.00 0.00 1.01 0.00 0.00 42.92 43.33 3gbj s ASP 29 CO -0.08 0.09 -0.19 0.68 0.21 0.00 0.00 175.17 175.89 3gbj s VAL 30 N -1.86 1.61 -0.28 -1.27 -7.23 -1.26 0.17 120.40 110.27 3gbj s VAL 30 Ca 0.24 -0.77 -0.01 0.00 -1.81 0.00 0.00 61.98 59.64 3gbj s VAL 30 Cb -0.08 -1.40 0.09 0.00 0.56 0.00 0.00 36.38 35.54 3gbj s VAL 30 CO 0.13 0.46 0.06 -0.62 -0.31 0.00 0.00 175.10 174.82 3gbj s ASP 31 N 0.37 3.85 1.96 4.85 2.15 -0.22 -5.00 116.67 124.62 3gbj s ASP 31 Ca -0.14 -1.44 0.00 0.00 0.43 0.00 0.00 52.55 51.40 3gbj s ASP 31 Cb -0.16 -0.93 0.00 0.00 -0.30 0.00 0.00 42.92 41.53 3gbj s ASP 31 CO 0.05 -0.36 0.00 0.00 -0.17 0.00 0.00 175.17 174.69 3gbj n ALA 32 N 4.81 0.00 -0.90 3.66 0.00 -1.26 -0.86 120.51 125.96 3gbj n ALA 32 Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.25 3gbj n ALA 32 Cb 0.43 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.09 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 9.14 4.06 -4.30 0.00 6.94 -1.26 -4.35 115.26 125.48 3gbj n ASN 33 Ca 0.00 -3.27 -0.30 0.00 -0.02 0.00 0.00 54.58 50.99 3gbj n ASN 33 Cb 0.00 -0.77 -0.16 0.00 -2.36 0.00 0.00 39.78 36.50 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 -2.83 1.95 -0.16 -3.83 1.02 -0.04 -1.10 119.74 114.75 3gbj s LYS 34 Ca 0.50 -0.93 -0.03 0.00 0.02 0.00 0.00 55.97 55.53 3gbj s LYS 34 Cb 0.41 -1.93 -0.02 0.00 -0.52 0.00 0.00 37.83 35.76 3gbj s LYS 34 CO 0.11 0.52 -0.05 0.08 -0.92 0.00 0.00 175.35 175.10 3gbj s VAL 35 N -0.63 3.74 -0.22 3.17 1.01 0.31 -1.06 120.40 126.72 3gbj s VAL 35 Ca 0.10 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 3gbj s VAL 35 Cb -0.10 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 3gbj s VAL 35 CO -0.00 0.49 -0.00 -0.63 0.00 0.00 0.00 175.10 174.95 3gbj s ILE 36 N 0.51 3.78 -0.44 2.22 1.01 0.13 -0.82 121.20 127.58 3gbj s ILE 36 Ca -0.04 -0.36 -0.10 0.00 0.00 0.00 0.00 60.65 60.16 3gbj s ILE 36 Cb -0.14 -2.73 0.09 0.00 0.01 0.00 0.00 42.46 39.68 3gbj s ILE 36 CO 0.03 0.40 0.30 -0.22 0.00 0.00 0.00 174.94 175.45 3gbj s LEU 37 N 1.38 5.36 0.22 2.97 2.96 0.93 -0.49 118.68 132.00 3gbj s LEU 37 Ca 0.05 -1.62 -0.30 0.00 -0.22 0.00 0.00 54.13 52.04 3gbj s LEU 37 Cb -0.15 -2.01 -0.08 0.00 0.50 0.00 0.00 46.19 44.45 3gbj s LEU 37 CO 0.00 -0.59 1.12 0.20 -1.32 0.00 0.00 176.35 175.76 3gbj s ASN 38 N 2.33 7.22 0.85 3.68 0.01 0.53 -1.73 114.94 127.83 3gbj s ASN 38 Ca 0.04 2.19 -0.13 0.00 -0.71 0.00 0.00 52.86 54.25 3gbj s ASN 38 Cb -0.24 -2.61 0.05 0.00 0.41 0.00 0.00 41.25 38.86 3gbj s ASN 38 CO 0.02 -0.23 0.81 -0.81 -1.51 0.00 0.00 177.10 175.38 3gbj n PRO 39 N 1.96 -0.04 -0.31 -0.60 -0.04 -1.26 -4.80 135.00 129.92 3gbj n PRO 39 Ca 0.02 0.05 0.07 0.00 -0.04 0.00 0.00 63.50 63.60 3gbj n PRO 39 Cb 0.45 -2.13 0.23 0.00 -0.04 0.00 0.00 33.50 32.01 3gbj n PRO 39 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 3gbj n VAL 40 N -3.35 0.87 0.00 0.52 3.14 -1.26 -5.02 118.33 113.22 3gbj n VAL 40 Ca 0.11 -0.70 0.00 0.00 -2.96 0.00 0.00 64.34 60.78 3gbj n VAL 40 Cb 0.51 0.20 0.00 0.00 -1.06 0.00 0.00 33.84 33.50 3gbj n VAL 40 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3gbj n GLN 52 N 0.84 0.00 -1.90 1.45 -0.00 -1.26 -5.25 117.38 111.26 3gbj n GLN 52 Ca 0.17 0.00 -0.42 0.00 -0.00 0.00 0.00 57.00 56.75 3gbj n GLN 52 Cb 0.50 0.00 -0.03 0.00 -0.00 0.00 0.00 30.24 30.71 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 0.00 4.20 -0.13 2.61 0.02 -1.26 -4.97 135.00 135.47 3gbj s PRO 53 Ca 0.00 2.41 -0.21 0.00 0.02 0.00 0.00 61.00 63.22 3gbj s PRO 53 Cb 0.00 -3.12 -0.03 0.00 0.02 0.00 0.00 34.50 31.36 3gbj s PRO 53 CO 0.00 -0.60 0.60 0.15 -0.33 0.00 0.00 177.00 176.82 3gbj s LYS 54 N 0.75 4.33 -0.13 5.54 1.02 -0.71 -4.88 119.74 125.66 3gbj s LYS 54 Ca 0.68 0.65 -0.01 0.00 0.02 0.00 0.00 55.97 57.31 3gbj s LYS 54 Cb -0.45 -3.49 -0.02 0.00 -0.52 0.00 0.00 37.83 33.35 3gbj s LYS 54 CO 0.35 -0.01 -0.09 0.14 -0.92 0.00 0.00 175.35 174.81 3gbj s VAL 55 N 1.14 3.42 0.12 3.17 -7.23 -1.26 -0.05 120.40 119.71 3gbj s VAL 55 Ca 0.31 -0.54 0.10 0.00 -1.81 0.00 0.00 61.98 60.04 3gbj s VAL 55 Cb -0.16 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 3gbj s VAL 55 CO 0.13 0.52 -0.25 -0.36 -0.31 0.00 0.00 175.10 174.83 3gbj s PHE 56 N 0.19 2.35 -0.08 2.82 0.08 -0.00 -4.97 117.98 118.37 3gbj s PHE 56 Ca -0.05 -0.36 0.04 0.00 0.12 0.00 0.00 56.93 56.68 3gbj s PHE 56 Cb -0.15 -1.28 -0.01 0.00 -0.57 0.00 0.00 43.02 41.02 3gbj s PHE 56 CO 0.04 0.33 -0.21 0.00 -0.10 0.00 0.00 175.22 175.28 3gbj s ALA 57 N -1.05 2.30 0.32 5.36 0.00 -1.26 -0.53 121.76 126.89 3gbj s ALA 57 Ca 0.14 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.15 3gbj s ALA 57 Cb -0.10 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 3gbj s ALA 57 CO 0.06 0.36 0.11 0.71 0.00 0.00 0.00 175.76 177.01 3gbj s TYR 58 N 0.04 1.70 0.32 0.00 2.02 -0.26 -4.96 117.35 116.21 3gbj s TYR 58 Ca -0.08 -1.21 0.04 0.00 -0.37 0.00 0.00 57.07 55.45 3gbj s TYR 58 Cb -0.15 -1.03 0.54 0.00 -0.40 0.00 0.00 41.96 40.92 3gbj s TYR 58 CO 0.05 -0.31 1.81 -0.44 -1.57 0.00 0.00 175.55 175.10 3gbj h ASP 59 N 2.15 0.44 -4.75 2.29 3.45 -1.38 -3.45 116.42 115.18 3gbj h ASP 59 Ca -0.37 -0.11 -0.07 0.00 0.43 0.00 0.00 57.03 56.91 3gbj h ASP 59 Cb 1.25 -0.12 -0.20 0.00 -0.56 0.00 0.00 39.33 39.71 3gbj h ASP 59 CO 0.59 0.61 0.08 -2.28 -1.57 0.00 0.00 179.24 176.68 3gbj s HIS 60 N -4.70 -0.60 -0.11 4.55 2.46 -1.13 -4.96 115.29 110.80 3gbj s HIS 60 Ca -0.07 1.14 0.03 0.00 0.47 0.00 0.00 55.06 56.63 3gbj s HIS 60 Cb 0.15 0.32 0.01 0.00 -0.13 0.00 0.00 32.58 32.92 3gbj s HIS 60 CO 0.77 -0.51 -0.21 0.00 -2.47 0.00 0.00 174.74 172.32 3gbj s PHE 62 N 0.61 3.35 -0.35 0.00 0.08 0.36 -4.98 117.98 117.06 3gbj s PHE 62 Ca -0.13 -1.81 -0.20 0.00 0.12 0.00 0.00 56.93 54.91 3gbj s PHE 62 Cb -0.17 -2.57 0.00 0.00 -0.57 0.00 0.00 43.02 39.72 3gbj s PHE 62 CO 0.04 -0.83 0.63 -0.46 -0.10 0.00 0.00 175.22 174.50 3gbj s TRP 63 N 1.30 3.16 -0.19 0.36 -0.00 -1.26 -1.05 118.94 121.26 3gbj s TRP 63 Ca 0.00 0.39 0.15 0.00 -0.00 0.00 0.00 56.10 56.64 3gbj s TRP 63 Cb -0.21 -3.11 0.44 0.00 -0.00 0.00 0.00 33.47 30.60 3gbj s TRP 63 CO -0.00 -0.60 1.19 0.43 -0.00 0.00 0.00 176.95 177.97 3gbj n SER 64 N 6.01 2.35 0.07 5.86 7.64 -0.70 0.57 113.62 135.42 3gbj n SER 64 Ca -0.01 -3.19 -0.13 0.00 1.01 0.00 0.00 58.87 56.55 3gbj n SER 64 Cb 0.49 -0.43 -0.13 0.00 -1.01 0.00 0.00 64.21 63.13 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 1.52 0.15 -2.07 1.43 2.86 -1.80 -3.23 114.93 113.79 3gbj h MET 65 Ca 0.02 -0.26 -0.16 0.00 -2.06 0.00 0.00 59.70 57.25 3gbj h MET 65 Cb 1.37 0.10 -0.30 0.00 0.06 0.00 0.00 31.60 32.83 3gbj h MET 65 CO 0.24 1.05 -0.48 0.34 1.06 0.00 0.00 176.91 179.13 3gbj s ASP 66 N -6.87 0.25 0.62 1.22 2.15 -1.26 -4.48 116.67 108.30 3gbj s ASP 66 Ca -0.04 0.32 0.35 0.00 0.43 0.00 0.00 52.55 53.62 3gbj s ASP 66 Cb 0.08 1.08 2.02 0.00 -0.30 0.00 0.00 42.92 45.80 3gbj s ASP 66 CO 0.85 -0.29 2.27 1.05 -0.17 0.00 0.00 175.17 178.88 3gbj h GLU 67 N 8.19 0.00 0.00 4.34 4.11 -1.97 -2.79 114.58 126.46 3gbj h GLU 67 Ca -0.19 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.10 3gbj h GLU 67 Cb 1.15 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 3gbj h GLU 67 CO 0.25 0.00 -0.69 0.66 0.07 0.00 0.00 179.01 179.30 3gbj h SER 68 N 0.00 0.00 -0.22 3.06 4.64 -2.01 -3.37 113.55 115.65 3gbj h SER 68 Ca 0.01 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.66 3gbj h SER 68 Cb 0.08 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.13 3gbj h SER 68 CO -0.00 0.69 2.65 0.52 -0.87 0.00 0.00 176.83 179.81 3gbj n VAL 69 N -3.55 3.17 -0.11 0.95 0.31 -1.05 -4.78 118.33 113.26 3gbj n VAL 69 Ca -0.00 -2.93 0.27 0.00 -0.01 0.00 0.00 64.34 61.66 3gbj n VAL 69 Cb 0.71 -2.47 0.72 0.00 -0.91 0.00 0.00 33.84 31.89 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 6.93 0.00 0.00 5.55 -0.00 -1.86 0.45 116.57 127.65 3gbj h LYS 70 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 61.14 3gbj h LYS 70 Cb 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.95 3gbj h LYS 70 CO 1.76 0.00 -0.06 1.05 -0.00 0.00 0.00 179.45 182.20 3gbj h GLU 71 N 0.00 0.00 0.00 0.07 9.09 -1.95 -3.35 114.58 118.44 3gbj h GLU 71 Ca 0.37 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.77 3gbj h GLU 71 Cb 1.64 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.74 3gbj h GLU 71 CO -0.00 0.00 -1.09 0.36 0.05 0.00 0.00 179.01 178.33 3gbj n LYS 72 N -2.50 1.66 -2.28 1.06 -0.00 0.05 -5.05 118.16 111.09 3gbj n LYS 72 Ca 0.05 -0.01 -0.42 0.00 -0.00 0.00 0.00 58.31 57.93 3gbj n LYS 72 Cb 0.46 -1.04 -0.03 0.00 -0.00 0.00 0.00 35.03 34.43 3gbj n LYS 72 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 3gbj s TYR 73 N -2.08 3.23 -0.38 5.58 6.14 -0.59 -4.26 117.35 125.00 3gbj s TYR 73 Ca -0.01 1.06 -0.05 0.00 0.64 0.00 0.00 57.07 58.71 3gbj s TYR 73 Cb 0.01 -3.58 0.08 0.00 0.42 0.00 0.00 41.96 38.89 3gbj s TYR 73 CO 0.06 -1.97 0.16 0.00 0.64 0.00 0.00 175.55 174.44 3gbj s ALA 74 N 1.39 3.10 0.84 3.97 0.00 0.19 -4.96 121.76 126.29 3gbj s ALA 74 Ca 0.62 -2.14 -0.07 0.00 0.00 0.00 0.00 51.96 50.37 3gbj s ALA 74 Cb -0.33 -2.36 0.14 0.00 0.00 0.00 0.00 23.12 20.58 3gbj s ALA 74 CO 0.29 -1.58 0.89 0.41 0.00 0.00 0.00 175.76 175.77 3gbj n GLY 75 N 4.72 -0.43 0.32 0.00 0.00 -1.26 -4.49 105.19 104.06 3gbj n GLY 75 Ca -0.08 -1.85 0.01 0.00 0.00 0.00 0.00 46.02 44.10 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 0.94 -0.64 1.61 1.08 -1.96 -1.84 115.11 114.31 3gbj h GLN 76 Ca -0.29 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 56.85 3gbj h GLN 76 Cb 0.91 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 28.09 3gbj h GLN 76 CO 0.25 0.62 0.40 0.38 -0.95 0.00 0.00 178.83 179.53 3gbj h ASP 77 N 0.97 0.75 -0.16 1.46 -0.00 -1.94 -0.72 116.42 116.79 3gbj h ASP 77 Ca 0.38 -0.03 -0.11 0.00 -0.00 0.00 0.00 57.03 57.27 3gbj h ASP 77 Cb 0.19 -0.19 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 3gbj h ASP 77 CO -0.18 0.57 -0.33 0.40 -0.00 0.00 0.00 179.24 179.70 3gbj h ILE 78 N 0.88 1.35 -0.42 4.15 2.04 -1.72 -0.31 117.51 123.49 3gbj h ILE 78 Ca 0.23 -1.59 0.06 0.00 1.00 0.00 0.00 64.86 64.57 3gbj h ILE 78 Cb -0.05 1.97 -0.05 0.00 -0.74 0.00 0.00 36.82 37.95 3gbj h ILE 78 CO -0.05 0.48 0.11 0.58 0.00 0.00 0.00 178.15 179.28 3gbj h VAL 79 N 0.13 0.82 -0.68 1.67 2.07 -1.07 -1.16 116.25 118.04 3gbj h VAL 79 Ca 0.00 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 3gbj h VAL 79 Cb 0.93 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 3gbj h VAL 79 CO 0.07 0.05 0.29 0.15 0.02 0.00 0.00 177.57 178.15 3gbj h PHE 80 N 0.26 1.02 -0.17 1.57 3.57 -0.99 -1.47 116.94 120.72 3gbj h PHE 80 Ca 0.20 -0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.66 3gbj h PHE 80 Cb 0.22 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 3gbj h PHE 80 CO -0.18 0.79 -0.02 0.87 -2.23 0.00 0.00 178.31 177.54 3gbj h LYS 81 N 0.96 0.03 -0.05 1.11 6.56 -0.42 0.54 116.57 125.30 3gbj h LYS 81 Ca 0.23 -0.00 -0.21 0.00 -1.06 0.00 0.00 60.65 59.60 3gbj h LYS 81 Cb 0.19 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.84 3gbj h LYS 81 CO -0.02 0.02 -0.84 0.00 -2.06 0.00 0.00 179.45 176.55 3gbj n LEU 83 N -3.82 1.27 -0.02 0.00 4.77 -0.57 -4.74 117.00 113.90 3gbj n LEU 83 Ca -0.06 0.20 -0.13 0.00 -0.03 0.00 0.00 56.01 55.99 3gbj n LEU 83 Cb 0.78 -0.51 -0.09 0.00 -2.33 0.00 0.00 43.42 41.27 3gbj n LEU 83 CO 0.51 0.37 0.67 1.23 -1.33 0.00 0.00 177.39 178.84 3gbj h GLY 84 N -0.55 0.07 0.05 -0.72 0.00 -1.05 -3.21 103.07 97.67 3gbj h GLY 84 Ca -0.43 -0.07 0.11 0.00 0.00 0.00 0.00 47.33 46.94 3gbj h GLY 84 CO -0.26 0.06 -0.02 -2.09 0.00 0.00 0.00 176.54 174.23 3gbj h GLU 85 N -0.32 0.09 -0.13 4.80 4.57 -1.40 0.21 114.58 122.39 3gbj h GLU 85 Ca 0.01 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3gbj h GLU 85 Cb 0.44 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 3gbj h GLU 85 CO 0.00 0.06 0.09 -0.91 -1.18 0.00 0.00 179.01 177.07 3gbj h ASN 86 N 0.09 0.16 -0.95 1.04 2.35 -1.82 -2.69 115.58 113.76 3gbj h ASN 86 Ca 0.28 -0.02 0.04 0.00 -0.55 0.00 0.00 56.30 56.05 3gbj h ASN 86 Cb 0.43 -0.04 -0.06 0.00 0.05 0.00 0.00 38.32 38.70 3gbj h ASN 86 CO -0.48 0.13 0.62 0.40 -1.65 0.00 0.00 177.43 176.45 3gbj h ILE 87 N 0.17 1.15 -0.78 2.81 1.08 -1.06 -0.57 117.51 120.31 3gbj h ILE 87 Ca 0.05 -0.41 -0.04 0.00 -0.39 0.00 0.00 64.86 64.07 3gbj h ILE 87 Cb -0.00 -0.14 -0.04 0.00 -3.07 0.00 0.00 36.82 33.57 3gbj h ILE 87 CO -0.01 0.22 0.34 0.25 -0.69 0.00 0.00 178.15 178.26 3gbj h LEU 88 N 1.19 1.04 -1.01 1.44 5.85 -0.97 -2.80 115.31 120.05 3gbj h LEU 88 Ca 0.38 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 3gbj h LEU 88 Cb 0.02 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 3gbj h LEU 88 CO -0.13 0.90 0.01 1.56 -0.34 0.00 0.00 178.44 180.45 3gbj h GLN 89 N 1.12 0.72 -0.66 1.25 7.50 -0.80 -2.82 115.11 121.41 3gbj h GLN 89 Ca 0.26 -0.18 -0.01 0.00 0.50 0.00 0.00 58.65 59.23 3gbj h GLN 89 Cb 0.16 -0.09 -0.03 0.00 0.05 0.00 0.00 27.48 27.57 3gbj h GLN 89 CO -0.03 0.73 0.37 -0.97 -1.50 0.00 0.00 178.83 177.43 3gbj h ASN 90 N 0.68 0.82 -0.03 1.46 -1.24 -1.01 -2.45 115.58 113.82 3gbj h ASN 90 Ca 0.14 -0.09 -0.06 0.00 0.71 0.00 0.00 56.30 57.01 3gbj h ASN 90 Cb 0.40 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.23 3gbj h ASN 90 CO 0.01 0.67 -0.13 0.00 -1.29 0.00 0.00 177.43 176.69 3gbj h ALA 91 N 1.19 1.42 0.00 1.57 0.00 -1.40 -0.17 119.26 121.86 3gbj h ALA 91 Ca 0.23 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3gbj h ALA 91 Cb 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3gbj h ALA 91 CO -0.04 0.40 -0.18 0.74 0.00 0.00 0.00 179.25 180.17 3gbj h PHE 92 N 0.30 0.00 -0.00 0.00 -1.00 -1.37 -1.98 116.94 112.89 3gbj h PHE 92 Ca 0.06 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.84 3gbj h PHE 92 Cb 0.41 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.97 3gbj h PHE 92 CO 0.01 0.18 -0.04 -0.25 -1.61 0.00 0.00 178.31 176.60 3gbj n ASP 93 N -3.38 0.05 0.00 2.17 8.00 -0.13 -4.92 116.55 118.35 3gbj n ASP 93 Ca -0.00 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.83 3gbj n ASP 93 Cb 0.39 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 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 1.47 1.25 3.56 0.44 0.00 -0.75 -4.94 105.19 106.22 3gbj n GLY 94 Ca 0.08 -0.34 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 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 2.42 0.29 1.61 2.02 -1.01 -4.43 117.35 116.25 3gbj s TYR 95 Ca 0.00 -0.48 -0.00 0.00 -0.37 0.00 0.00 57.07 56.21 3gbj s TYR 95 Cb 0.00 -1.39 -0.04 0.00 -0.40 0.00 0.00 41.96 40.14 3gbj s TYR 95 CO 0.00 0.57 0.49 -0.80 -1.57 0.00 0.00 175.55 174.24 3gbj s ASN 96 N -3.62 6.35 -0.02 2.29 0.01 -1.26 -3.25 114.94 115.43 3gbj s ASN 96 Ca 0.33 0.45 -0.30 0.00 -0.71 0.00 0.00 52.86 52.63 3gbj s ASN 96 Cb 0.02 -2.03 0.07 0.00 0.41 0.00 0.00 41.25 39.72 3gbj s ASN 96 CO 0.17 -0.19 0.67 0.00 -1.51 0.00 0.00 177.10 176.24 3gbj s ALA 97 N -2.12 -1.75 0.05 0.60 0.00 -0.36 -2.12 121.76 116.05 3gbj s ALA 97 Ca 0.40 1.22 0.05 0.00 0.00 0.00 0.00 51.96 53.62 3gbj s ALA 97 Cb -0.10 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 3gbj s ALA 97 CO 0.32 -0.42 -0.13 0.00 0.00 0.00 0.00 175.76 175.53 3gbj s ILE 99 N -1.04 1.48 -0.06 0.00 1.01 -0.42 -1.22 121.20 120.95 3gbj s ILE 99 Ca -0.01 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.03 3gbj s ILE 99 Cb -0.09 -1.35 -0.02 0.00 0.01 0.00 0.00 42.46 41.01 3gbj s ILE 99 CO 0.02 0.44 -0.14 -0.36 0.00 0.00 0.00 174.94 174.89 3gbj s PHE 100 N 0.89 2.72 -0.24 3.97 0.40 -0.06 -0.58 117.98 125.07 3gbj s PHE 100 Ca -0.09 -0.24 -0.07 0.00 -0.60 0.00 0.00 56.93 55.93 3gbj s PHE 100 Cb -0.15 -1.67 -0.03 0.00 0.51 0.00 0.00 43.02 41.68 3gbj s PHE 100 CO 0.00 0.12 0.06 0.00 0.70 0.00 0.00 175.22 176.10 3gbj s ALA 101 N -0.55 3.13 -0.03 5.36 0.00 -0.23 -0.38 121.76 129.05 3gbj s ALA 101 Ca 0.08 -1.13 0.06 0.00 0.00 0.00 0.00 51.96 50.97 3gbj s ALA 101 Cb -0.12 -2.04 -0.01 0.00 0.00 0.00 0.00 23.12 20.95 3gbj s ALA 101 CO 0.01 -0.47 -0.21 -0.47 0.00 0.00 0.00 175.76 174.63 3gbj s TYR 102 N 1.58 1.97 0.00 0.00 6.14 -0.26 -2.31 117.35 124.47 3gbj s TYR 102 Ca 0.06 -0.48 0.00 0.00 0.64 0.00 0.00 57.07 57.30 3gbj s TYR 102 Cb -0.15 -1.29 0.00 0.00 0.42 0.00 0.00 41.96 40.94 3gbj s TYR 102 CO 0.03 -0.11 0.00 0.41 0.64 0.00 0.00 175.55 176.52 3gbj n GLY 103 N 2.81 1.60 3.59 8.97 0.00 -1.26 -0.43 105.19 120.46 3gbj n GLY 103 Ca -0.17 -1.21 -0.39 0.00 0.00 0.00 0.00 46.02 44.25 3gbj n GLY 103 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3gbj n GLN 104 N -1.11 1.02 -1.72 1.61 7.27 -1.26 -2.15 117.38 121.05 3gbj n GLN 104 Ca 0.00 0.38 -0.43 0.00 0.07 0.00 0.00 57.00 57.02 3gbj n GLN 104 Cb 0.00 -2.03 -0.02 0.00 2.41 0.00 0.00 30.24 30.60 3gbj n GLN 104 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 3gbj n THR 105 N -1.18 0.59 -0.58 1.69 -1.04 -1.26 -1.67 114.28 110.84 3gbj n THR 105 Ca 0.11 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 3gbj n THR 105 Cb 0.44 -1.84 0.00 0.00 -1.82 0.00 0.00 70.33 67.11 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 2.84 0.78 0.15 3.41 0.00 -1.26 -4.93 105.19 106.18 3gbj n GLY 106 Ca 0.12 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.65 -3.47 113.55 114.69 3gbj h SER 107 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 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 0.10 0.00 0.61 -0.87 0.00 0.00 176.83 176.67 3gbj n GLY 108 N 1.17 1.63 0.24 -0.77 0.00 -1.26 -4.16 105.19 102.05 3gbj n GLY 108 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.39 -0.36 1.61 1.57 -1.92 -1.16 116.57 115.91 3gbj h LYS 109 Ca 0.00 0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 3gbj h LYS 109 Cb 0.00 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3gbj h LYS 109 CO 0.00 -0.26 -0.28 0.77 -0.57 0.00 0.00 179.45 179.11 3gbj h SER 110 N -0.41 0.77 -0.95 0.86 0.02 -1.95 -0.51 113.55 111.38 3gbj h SER 110 Ca 0.01 -0.30 -0.00 0.00 -0.84 0.00 0.00 61.79 60.66 3gbj h SER 110 Cb 0.41 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.69 3gbj h SER 110 CO -0.08 1.01 0.58 0.22 -1.14 0.00 0.00 176.83 177.42 3gbj h TYR 111 N 0.64 1.24 -0.05 3.45 3.20 -1.84 0.65 116.97 124.27 3gbj h TYR 111 Ca 0.08 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.83 3gbj h TYR 111 Cb 0.80 -0.41 0.01 0.00 1.54 0.00 0.00 36.73 38.66 3gbj h TYR 111 CO 0.04 0.82 -0.46 1.15 -1.64 0.00 0.00 178.16 178.06 3gbj h THR 112 N 1.31 1.42 0.02 1.81 2.02 -0.91 -2.28 112.91 116.30 3gbj h THR 112 Ca 0.34 -1.90 -0.00 0.00 0.77 0.00 0.00 66.41 65.62 3gbj h THR 112 Cb -0.07 2.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 3gbj h THR 112 CO -0.07 0.55 -0.01 0.24 0.37 0.00 0.00 175.52 176.61 3gbj h MET 113 N -0.09 -0.03 0.00 6.66 2.86 -0.93 -1.61 114.93 121.80 3gbj h MET 113 Ca -0.04 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.24 3gbj h MET 113 Cb 1.14 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.75 3gbj h MET 113 CO 0.09 0.69 -2.33 -0.12 1.06 0.00 0.00 176.91 176.30 3gbj n MET 114 N -4.74 0.57 0.00 1.72 0.00 0.12 -0.84 117.12 113.94 3gbj n MET 114 Ca -0.09 0.15 0.00 0.00 -0.00 0.00 0.00 57.70 57.76 3gbj n MET 114 Cb 0.35 -1.45 0.00 0.00 0.00 0.00 0.00 33.22 32.12 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 2.25 -1.90 3.81 -5.12 0.00 -0.58 -1.25 105.19 102.39 3gbj n GLY 115 Ca -0.42 -1.56 -0.30 0.00 0.00 0.00 0.00 46.02 43.75 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 0.00 1.46 0.22 2.61 -4.23 -0.16 -4.78 115.64 110.76 3gbj s THR 116 Ca 0.00 -1.78 -0.08 0.00 -1.18 0.00 0.00 61.69 58.65 3gbj s THR 116 Cb 0.00 -2.24 0.17 0.00 1.34 0.00 0.00 72.50 71.77 3gbj s THR 116 CO 0.00 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 175.92 3gbj h ALA 117 N 1.13 1.02 0.00 3.99 0.00 -2.00 -2.75 119.26 120.65 3gbj h ALA 117 Ca -0.41 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 3gbj h ALA 117 Cb 1.30 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3gbj h ALA 117 CO 0.67 0.19 -0.85 -0.44 0.00 0.00 0.00 179.25 178.83 3gbj h ASP 118 N 0.86 0.00 -2.46 0.00 5.19 -2.01 -3.39 116.42 114.61 3gbj h ASP 118 Ca 0.32 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 56.14 3gbj h ASP 118 Cb 0.13 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 39.24 3gbj h ASP 118 CO -0.16 0.56 -0.80 0.00 -3.12 0.00 0.00 179.24 175.72 3gbj n GLN 119 N -3.11 1.31 -1.80 3.56 1.13 -1.11 -5.11 117.38 112.26 3gbj n GLN 119 Ca -0.02 -3.91 -0.41 0.00 -1.94 0.00 0.00 57.00 50.71 3gbj n GLN 119 Cb 0.78 -1.89 -0.01 0.00 0.11 0.00 0.00 30.24 29.23 3gbj n GLN 119 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 3gbj s PRO 120 N -1.23 4.12 0.00 -1.09 0.02 -1.06 -0.99 135.00 134.77 3gbj s PRO 120 Ca 0.33 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.92 3gbj s PRO 120 Cb 0.07 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.59 3gbj s PRO 120 CO -0.13 -0.58 0.00 0.41 -0.33 0.00 0.00 177.00 176.37 3gbj n GLY 121 N 1.27 1.14 0.22 0.52 0.00 -0.38 -4.82 105.19 103.13 3gbj n GLY 121 Ca 0.04 -1.88 -0.02 0.00 0.00 0.00 0.00 46.02 44.16 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 0.20 0.29 0.99 3.38 -1.04 -3.01 115.31 116.12 3gbj h LEU 122 Ca 0.00 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3gbj h LEU 122 Cb 0.00 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3gbj h LEU 122 CO 0.00 0.14 -0.14 0.40 0.09 0.00 0.00 178.44 178.93 3gbj h ILE 123 N 0.38 0.74 -0.88 1.22 2.04 -1.27 0.10 117.51 119.85 3gbj h ILE 123 Ca 0.27 -0.22 0.06 0.00 1.00 0.00 0.00 64.86 65.96 3gbj h ILE 123 Cb 0.30 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 3gbj h ILE 123 CO -0.27 0.05 0.55 -0.65 0.00 0.00 0.00 178.15 177.83 3gbj h PRO 124 N -0.51 0.98 -0.45 2.37 0.11 -1.81 -1.01 132.00 131.69 3gbj h PRO 124 Ca -0.04 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.92 3gbj h PRO 124 Cb 0.38 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.25 3gbj h PRO 124 CO 0.07 0.65 -0.06 0.00 -0.21 0.00 0.00 178.00 178.45 3gbj h ARG 125 N 1.01 0.84 -0.50 1.05 3.08 -1.36 -0.61 114.38 117.89 3gbj h ARG 125 Ca 0.38 -0.30 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 3gbj h ARG 125 Cb 0.15 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3gbj h ARG 125 CO -0.17 0.92 -0.02 1.25 -1.07 0.00 0.00 179.97 180.88 3gbj h LEU 126 N 0.68 0.82 -0.34 3.04 6.46 -0.44 -0.80 115.31 124.73 3gbj h LEU 126 Ca 0.12 -0.21 -0.11 0.00 -0.12 0.00 0.00 57.88 57.56 3gbj h LEU 126 Cb 0.58 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.28 3gbj h LEU 126 CO 0.03 0.89 -0.21 0.00 -0.62 0.00 0.00 178.44 178.54 3gbj h SER 128 N 0.53 -0.28 -0.85 0.00 0.87 -0.91 -2.22 113.55 110.70 3gbj h SER 128 Ca 0.07 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.71 3gbj h SER 128 Cb 0.77 0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 62.75 3gbj h SER 128 CO 0.06 -0.18 0.52 1.23 -0.53 0.00 0.00 176.83 177.94 3gbj h GLY 129 N -0.27 1.27 0.55 5.77 0.00 -1.10 -1.00 103.07 108.29 3gbj h GLY 129 Ca -0.01 -0.38 0.02 0.00 0.00 0.00 0.00 47.33 46.95 3gbj h GLY 129 CO 0.01 0.27 -0.26 -2.00 0.00 0.00 0.00 176.54 174.55 3gbj h LEU 130 N 0.97 -0.74 -0.87 3.11 5.85 -0.58 -1.77 115.31 121.28 3gbj h LEU 130 Ca 0.36 0.08 -0.12 0.00 0.84 0.00 0.00 57.88 59.05 3gbj h LEU 130 Cb 0.15 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 3gbj h LEU 130 CO -0.16 -0.35 -0.57 -0.26 -0.34 0.00 0.00 178.44 176.75 3gbj h PHE 131 N -0.48 0.00 -0.69 1.25 0.04 -1.21 -1.25 116.94 114.60 3gbj h PHE 131 Ca 0.03 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 3gbj h PHE 131 Cb 0.50 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.62 3gbj h PHE 131 CO -0.23 0.57 0.41 1.49 -0.60 0.00 0.00 178.31 179.94 3gbj h GLU 132 N 0.00 0.93 0.11 1.51 4.81 -0.93 -2.42 114.58 118.59 3gbj h GLU 132 Ca -0.01 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 3gbj h GLU 132 Cb 1.00 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.19 3gbj h GLU 132 CO 0.07 0.67 -0.05 -0.09 -0.73 0.00 0.00 179.01 178.88 3gbj h ARG 133 N 0.94 -0.14 -0.93 1.92 2.43 -1.06 -2.97 114.38 114.56 3gbj h ARG 133 Ca 0.25 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.52 3gbj h ARG 133 Cb -0.03 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.49 3gbj h ARG 133 CO -0.05 0.28 0.60 1.79 -1.51 0.00 0.00 179.97 181.09 3gbj h THR 134 N -0.62 0.99 0.00 0.20 1.35 -1.22 0.41 112.91 114.03 3gbj h THR 134 Ca -0.01 -0.33 -0.05 0.00 -0.55 0.00 0.00 66.41 65.46 3gbj h THR 134 Cb 0.49 -0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 66.83 3gbj h THR 134 CO 0.02 0.18 -0.24 1.56 -0.25 0.00 0.00 175.52 176.79 3gbj h GLN 135 N 0.97 0.00 0.00 4.72 4.20 -1.50 -0.17 115.11 123.33 3gbj h GLN 135 Ca 0.43 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 59.01 3gbj h GLN 135 Cb 0.36 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 3gbj h GLN 135 CO -0.19 0.24 -0.65 0.87 -0.67 0.00 0.00 178.83 178.43 3gbj h LYS 136 N 0.00 0.00 0.00 1.46 1.57 -0.80 -3.36 116.57 115.45 3gbj h LYS 136 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gbj h LYS 136 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 3gbj h LYS 136 CO 0.03 0.57 -0.85 0.39 -0.57 0.00 0.00 179.45 179.02 3gbj n GLU 137 N -3.22 1.46 -2.21 3.15 1.02 -0.50 -5.03 120.64 115.30 3gbj n GLU 137 Ca 0.01 -0.01 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 3gbj n GLU 137 Cb 0.78 -1.29 0.06 0.00 -0.02 0.00 0.00 31.44 30.96 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 -2.61 2.45 0.00 3.49 -1.05 -0.11 -4.83 118.70 116.04 3gbj s GLU 138 Ca 0.05 -0.10 0.00 0.00 -0.15 0.00 0.00 54.97 54.78 3gbj s GLU 138 Cb 0.12 -2.17 0.00 0.00 -0.44 0.00 0.00 34.13 31.64 3gbj s GLU 138 CO 0.68 -1.09 0.00 0.27 0.95 0.00 0.00 175.26 176.07 3gbj n ASN 139 N -2.86 0.00 -0.33 0.83 0.23 0.18 -4.93 115.26 108.39 3gbj n ASN 139 Ca 0.07 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.23 3gbj n ASN 139 Cb 0.59 0.00 0.29 0.00 -2.08 0.00 0.00 39.78 38.58 3gbj n ASN 139 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3gbj h GLU 140 N 0.00 0.66 0.04 -3.83 -0.00 -2.00 -3.22 114.58 106.22 3gbj h GLU 140 Ca 0.00 -0.04 -0.00 0.00 -0.00 0.00 0.00 59.36 59.32 3gbj h GLU 140 Cb 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 28.75 28.60 3gbj h GLU 140 CO 0.00 0.44 -0.02 1.05 -0.00 0.00 0.00 179.01 180.48 3gbj h GLU 141 N 0.68 -0.05 -6.54 1.06 -0.00 -1.95 -3.42 114.58 104.37 3gbj h GLU 141 Ca 0.54 0.00 -0.57 0.00 -0.00 0.00 0.00 59.36 59.33 3gbj h GLU 141 Cb 0.83 0.01 -0.07 0.00 -0.00 0.00 0.00 28.75 29.52 3gbj h GLU 141 CO -0.39 -0.03 0.86 1.14 -0.00 0.00 0.00 179.01 180.58 3gbj s GLN 142 N -1.59 3.78 0.17 1.06 0.00 -1.22 -4.20 119.66 117.66 3gbj s GLN 142 Ca -0.01 0.62 0.05 0.00 -0.00 0.00 0.00 55.36 56.02 3gbj s GLN 142 Cb 0.00 -3.87 -0.05 0.00 0.00 0.00 0.00 33.01 29.09 3gbj s GLN 142 CO 0.02 -1.25 -0.10 -1.54 0.00 0.00 0.00 175.29 172.43 3gbj s SER 143 N 2.25 1.91 -0.03 12.60 1.04 0.69 0.49 113.70 132.65 3gbj s SER 143 Ca 0.46 -1.04 0.02 0.00 0.48 0.00 0.00 55.95 55.87 3gbj s SER 143 Cb -0.09 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.01 3gbj s SER 143 CO 0.27 -0.33 -0.09 -0.36 0.98 0.00 0.00 173.24 173.71 3gbj s PHE 144 N -3.29 0.94 -0.09 5.02 0.08 -1.26 -0.83 117.98 118.56 3gbj s PHE 144 Ca 0.19 -0.24 0.03 0.00 0.12 0.00 0.00 56.93 57.04 3gbj s PHE 144 Cb 0.02 -0.67 -0.01 0.00 -0.57 0.00 0.00 43.02 41.79 3gbj s PHE 144 CO 0.02 -0.10 -0.20 0.21 -0.10 0.00 0.00 175.22 175.06 3gbj s LYS 145 N 0.20 2.97 -0.11 0.44 2.36 0.10 -4.98 119.74 120.73 3gbj s LYS 145 Ca -0.03 -0.80 0.03 0.00 -2.55 0.00 0.00 55.97 52.61 3gbj s LYS 145 Cb -0.09 -2.38 0.01 0.00 -1.05 0.00 0.00 37.83 34.32 3gbj s LYS 145 CO 0.00 0.29 -0.20 0.08 1.55 0.00 0.00 175.35 177.07 3gbj s VAL 146 N 0.10 1.83 -0.02 4.02 1.01 -1.26 -0.91 120.40 125.18 3gbj s VAL 146 Ca -0.09 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.05 3gbj s VAL 146 Cb -0.15 -1.61 -0.00 0.00 0.00 0.00 0.00 36.38 34.61 3gbj s VAL 146 CO 0.06 0.51 -0.11 -1.61 0.00 0.00 0.00 175.10 173.95 3gbj s GLU 147 N 0.60 0.96 -0.03 2.72 2.02 -0.80 -0.88 118.70 123.31 3gbj s GLU 147 Ca -0.14 -0.38 0.05 0.00 0.02 0.00 0.00 54.97 54.52 3gbj s GLU 147 Cb -0.17 -0.91 -0.01 0.00 0.10 0.00 0.00 34.13 33.14 3gbj s GLU 147 CO 0.04 0.20 -0.18 0.08 0.02 0.00 0.00 175.26 175.42 3gbj s VAL 148 N -0.11 1.43 0.08 2.63 1.01 0.25 -0.90 120.40 124.78 3gbj s VAL 148 Ca 0.02 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.32 3gbj s VAL 148 Cb -0.06 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 3gbj s VAL 148 CO -0.00 0.41 -0.19 -0.44 0.00 0.00 0.00 175.10 174.87 3gbj s SER 149 N -0.23 2.33 -0.20 3.32 0.01 -0.19 -0.93 113.70 117.80 3gbj s SER 149 Ca 0.03 -0.63 -0.05 0.00 1.31 0.00 0.00 55.95 56.61 3gbj s SER 149 Cb -0.09 -0.14 0.07 0.00 0.21 0.00 0.00 66.02 66.08 3gbj s SER 149 CO 0.00 0.06 0.12 -0.47 0.41 0.00 0.00 173.24 173.36 3gbj s TYR 150 N -1.08 0.15 0.13 2.43 5.04 -1.26 -0.15 117.35 122.62 3gbj s TYR 150 Ca 0.05 -0.38 0.07 0.00 -2.44 0.00 0.00 57.07 54.36 3gbj s TYR 150 Cb -0.10 -0.70 -0.04 0.00 0.35 0.00 0.00 41.96 41.48 3gbj s TYR 150 CO 0.03 -0.61 -0.15 0.00 -1.34 0.00 0.00 175.55 173.48 3gbj s MET 151 N 2.16 1.10 -0.12 4.97 0.23 -0.42 -0.55 119.30 126.67 3gbj s MET 151 Ca 0.04 -1.29 0.01 0.00 -1.03 0.00 0.00 55.69 53.43 3gbj s MET 151 Cb -0.16 -1.03 -0.01 0.00 -1.53 0.00 0.00 34.83 32.10 3gbj s MET 151 CO -0.16 0.20 -0.17 -2.00 -2.03 0.00 0.00 175.02 170.86 3gbj s GLU 152 N -2.69 3.24 -0.27 3.16 2.12 0.24 -0.08 118.70 124.41 3gbj s GLU 152 Ca 0.11 -0.77 -0.08 0.00 0.36 0.00 0.00 54.97 54.60 3gbj s GLU 152 Cb -0.05 -2.51 -0.01 0.00 0.26 0.00 0.00 34.13 31.81 3gbj s GLU 152 CO 0.04 0.16 0.09 0.42 -0.54 0.00 0.00 175.26 175.43 3gbj s ILE 153 N 0.43 4.25 -0.17 -3.70 1.01 0.10 -0.77 121.20 122.36 3gbj s ILE 153 Ca -0.13 -0.36 -0.03 0.00 0.00 0.00 0.00 60.65 60.13 3gbj s ILE 153 Cb -0.17 -3.07 0.06 0.00 0.01 0.00 0.00 42.46 39.29 3gbj s ILE 153 CO 0.06 0.22 0.05 -0.47 0.00 0.00 0.00 174.94 174.80 3gbj s TYR 154 N 1.58 0.74 -1.28 3.97 5.04 -0.51 -0.88 117.35 126.02 3gbj s TYR 154 Ca 0.05 -0.62 -0.06 0.00 -2.44 0.00 0.00 57.07 54.00 3gbj s TYR 154 Cb -0.16 -0.90 0.01 0.00 0.35 0.00 0.00 41.96 41.26 3gbj s TYR 154 CO 0.04 -0.55 1.10 0.27 -1.34 0.00 0.00 175.55 175.07 3gbj n ASN 155 N 5.13 -4.93 -0.74 4.32 6.94 -1.26 -2.75 115.26 121.97 3gbj n ASN 155 Ca -0.08 -0.55 -0.10 0.00 -0.02 0.00 0.00 54.58 53.83 3gbj n ASN 155 Cb 0.48 -4.95 -0.04 0.00 -2.36 0.00 0.00 39.78 32.90 3gbj n ASN 155 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3gbj n GLU 156 N -4.63 -1.27 -4.36 -3.83 -0.58 -1.26 -4.99 120.64 99.72 3gbj n GLU 156 Ca -0.08 0.79 -0.27 0.00 -0.42 0.00 0.00 57.16 57.18 3gbj n GLU 156 Cb 0.59 -4.96 -0.11 0.00 -0.57 0.00 0.00 31.44 26.40 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 -2.63 1.78 -0.11 3.49 1.02 -1.11 -4.95 119.74 117.22 3gbj s LYS 157 Ca 0.00 -1.39 0.00 0.00 0.02 0.00 0.00 55.97 54.60 3gbj s LYS 157 Cb 0.00 -2.00 -0.02 0.00 -0.52 0.00 0.00 37.83 35.29 3gbj s LYS 157 CO 0.00 0.42 -0.12 0.08 -0.92 0.00 0.00 175.35 174.81 3gbj s VAL 158 N -1.65 3.19 -0.07 3.17 1.01 -1.25 -1.42 120.40 123.37 3gbj s VAL 158 Ca 0.22 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.62 3gbj s VAL 158 Cb -0.08 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 3gbj s VAL 158 CO 0.12 0.54 -0.22 -0.60 0.00 0.00 0.00 175.10 174.94 3gbj s ARG 159 N 0.06 2.69 -0.52 2.72 3.52 0.05 0.10 118.95 127.57 3gbj s ARG 159 Ca -0.04 -0.85 -0.26 0.00 -0.13 0.00 0.00 55.73 54.45 3gbj s ARG 159 Cb -0.14 -2.26 0.03 0.00 -1.56 0.00 0.00 34.95 31.01 3gbj s ARG 159 CO 0.04 0.38 1.01 0.34 -0.81 0.00 0.00 175.30 176.27 3gbj s ASP 160 N -0.14 6.44 0.51 -2.12 3.68 -1.26 -0.59 116.67 123.18 3gbj s ASP 160 Ca -0.03 -0.01 0.29 0.00 2.13 0.00 0.00 52.55 54.93 3gbj s ASP 160 Cb -0.14 -2.48 1.00 0.00 -1.45 0.00 0.00 42.92 39.85 3gbj s ASP 160 CO 0.04 -1.23 1.85 -0.07 0.13 0.00 0.00 175.17 175.89 3gbj h LEU 161 N 11.09 0.00 0.00 -1.34 3.38 -1.17 -1.92 115.31 125.35 3gbj h LEU 161 Ca -0.25 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.59 3gbj h LEU 161 Cb 1.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 3gbj h LEU 161 CO 1.10 0.02 -1.04 -0.07 0.09 0.00 0.00 178.44 178.54 3gbj h LEU 162 N 0.00 0.00 -5.49 1.67 3.38 -1.89 -3.33 115.31 109.66 3gbj h LEU 162 Ca -0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 3gbj h LEU 162 Cb 0.69 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.20 3gbj h LEU 162 CO 0.00 0.48 -0.69 -0.67 0.09 0.00 0.00 178.44 177.65 3gbj n ASP 163 N -2.98 -2.15 -4.82 -0.43 -0.08 -1.17 -4.93 116.55 99.99 3gbj n ASP 163 Ca -0.05 -2.81 -0.36 0.00 -1.51 0.00 0.00 54.79 50.07 3gbj n ASP 163 Cb 0.77 0.87 -0.06 0.00 2.34 0.00 0.00 41.12 45.04 3gbj n ASP 163 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 3gbj s PRO 164 N 0.39 4.24 0.82 -0.67 0.04 -0.73 -4.70 135.00 134.38 3gbj s PRO 164 Ca 0.32 0.87 -0.11 0.00 0.04 0.00 0.00 61.00 62.12 3gbj s PRO 164 Cb 0.07 -2.81 0.08 0.00 0.04 0.00 0.00 34.50 31.88 3gbj s PRO 164 CO -0.13 0.35 1.09 0.15 0.04 0.00 0.00 177.00 178.50 3gbj s LYS 165 N -2.12 1.90 0.77 4.56 1.02 -1.26 -5.04 119.74 119.57 3gbj s LYS 165 Ca 0.45 1.07 -0.11 0.00 0.02 0.00 0.00 55.97 57.40 3gbj s LYS 165 Cb -0.16 -1.86 0.05 0.00 -0.52 0.00 0.00 37.83 35.34 3gbj s LYS 165 CO 0.21 -1.86 1.09 0.20 -0.92 0.00 0.00 175.35 174.06 3gbj s GLY 166 N -3.38 1.67 -1.53 -3.33 0.00 -1.26 -3.95 107.32 95.55 3gbj s GLY 166 Ca 0.62 0.21 -0.03 0.00 0.00 0.00 0.00 44.72 45.52 3gbj s GLY 166 CO 0.56 0.56 0.30 -1.26 0.00 0.00 0.00 173.10 173.27 3gbj n SER 167 N -3.48 -5.44 -0.89 1.64 2.88 -1.26 -2.15 113.62 104.93 3gbj n SER 167 Ca 0.09 -0.14 -0.11 0.00 -1.33 0.00 0.00 58.87 57.37 3gbj n SER 167 Cb 0.53 -4.47 -0.05 0.00 -0.75 0.00 0.00 64.21 59.47 3gbj n SER 167 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3gbj n ARG 168 N -3.48 -1.69 -1.24 -1.46 5.12 -1.25 -4.95 116.66 107.71 3gbj n ARG 168 Ca -0.15 0.89 -0.35 0.00 -1.93 0.00 0.00 57.85 56.31 3gbj n ARG 168 Cb 0.63 -5.31 0.10 0.00 -1.16 0.00 0.00 32.46 26.73 3gbj n ARG 168 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3gbj n GLN 169 N -0.88 0.35 -4.18 5.56 6.02 -0.91 -4.95 117.38 118.40 3gbj n GLN 169 Ca -0.11 0.18 -0.26 0.00 -0.01 0.00 0.00 57.00 56.80 3gbj n GLN 169 Cb 0.59 -2.30 -0.06 0.00 1.02 0.00 0.00 30.24 29.49 3gbj n GLN 169 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3gbj s THR 170 N -1.96 2.06 -0.06 5.09 -4.23 -1.26 -4.50 115.64 110.79 3gbj s THR 170 Ca 0.73 -1.71 -0.01 0.00 -1.18 0.00 0.00 61.69 59.52 3gbj s THR 170 Cb -0.32 -2.76 -0.03 0.00 1.34 0.00 0.00 72.50 70.73 3gbj s THR 170 CO 0.51 0.00 0.02 -0.76 -0.54 0.00 0.00 174.62 173.85 3gbj s LEU 171 N -3.96 3.65 0.27 4.79 1.43 0.29 -4.96 118.68 120.19 3gbj s LEU 171 Ca 0.36 0.13 -0.29 0.00 -1.03 0.00 0.00 54.13 53.29 3gbj s LEU 171 Cb 0.03 -1.94 -0.09 0.00 0.03 0.00 0.00 46.19 44.21 3gbj s LEU 171 CO 0.20 0.34 1.22 -1.59 0.23 0.00 0.00 176.35 176.75 3gbj s LYS 172 N -1.18 4.48 -0.60 1.70 0.00 -1.26 -3.80 119.74 119.08 3gbj s LYS 172 Ca 0.16 2.00 -0.20 0.00 0.00 0.00 0.00 55.97 57.94 3gbj s LYS 172 Cb -0.11 -3.15 0.09 0.00 0.00 0.00 0.00 37.83 34.65 3gbj s LYS 172 CO 0.06 -0.05 0.75 0.08 0.00 0.00 0.00 175.35 176.19 3gbj s VAL 173 N -0.78 4.72 0.81 1.79 1.01 -1.26 -1.79 120.40 124.90 3gbj s VAL 173 Ca 0.49 -0.83 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 3gbj s VAL 173 Cb -0.36 -4.52 0.16 0.00 0.00 0.00 0.00 36.38 31.66 3gbj s VAL 173 CO 0.44 -1.18 1.12 -0.13 0.00 0.00 0.00 175.10 175.36 3gbj s ARG 174 N 2.97 1.28 -0.03 2.72 0.52 -0.84 -4.88 118.95 120.69 3gbj s ARG 174 Ca 0.14 -0.84 -0.01 0.00 -0.52 0.00 0.00 55.73 54.50 3gbj s ARG 174 Cb -0.22 -2.14 0.03 0.00 0.52 0.00 0.00 34.95 33.13 3gbj s ARG 174 CO 0.07 -1.82 0.04 -1.83 0.02 0.00 0.00 175.30 171.78 3gbj s GLU 175 N -5.43 0.05 0.24 3.54 4.04 -1.26 -1.63 118.70 118.25 3gbj s GLU 175 Ca 0.69 0.24 -0.30 0.00 0.04 0.00 0.00 54.97 55.65 3gbj s GLU 175 Cb -0.05 -0.45 -0.09 0.00 0.02 0.00 0.00 34.13 33.56 3gbj s GLU 175 CO 0.48 -0.24 1.02 -1.01 -1.84 0.00 0.00 175.26 173.67 3gbj s HIS 176 N 1.59 3.77 0.38 4.83 3.76 -0.37 -4.95 115.29 124.30 3gbj s HIS 176 Ca -0.02 1.79 0.11 0.00 -0.15 0.00 0.00 55.06 56.78 3gbj s HIS 176 Cb -0.13 -3.14 0.89 0.00 1.11 0.00 0.00 32.58 31.31 3gbj s HIS 176 CO -0.03 -0.09 1.89 0.77 -0.85 0.00 0.00 174.74 176.43 3gbj h SER 177 N 4.20 0.57 0.00 1.40 0.02 -2.00 -3.10 113.55 114.65 3gbj h SER 177 Ca -0.45 0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.44 3gbj h SER 177 Cb 1.21 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.65 3gbj h SER 177 CO 0.68 0.29 -1.33 1.33 -1.14 0.00 0.00 176.83 176.66 3gbj n VAL 178 N -4.53 0.33 0.44 2.27 0.24 -1.26 -4.81 118.33 111.01 3gbj n VAL 178 Ca 0.16 -0.11 0.10 0.00 -2.04 0.00 0.00 64.34 62.46 3gbj n VAL 178 Cb 0.48 -1.08 0.44 0.00 -1.47 0.00 0.00 33.84 32.21 3gbj n VAL 178 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3gbj n LEU 179 N -2.92 0.46 0.00 1.34 4.77 -1.24 -4.99 117.00 114.41 3gbj n LEU 179 Ca -0.11 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 3gbj n LEU 179 Cb 0.60 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3gbj n LEU 179 CO 0.04 -0.45 0.00 0.61 -1.33 0.00 0.00 177.39 176.26 3gbj n GLY 180 N 0.05 -1.16 3.84 -0.72 0.00 -1.17 -4.94 105.19 101.09 3gbj n GLY 180 Ca 0.03 -2.13 -0.32 0.00 0.00 0.00 0.00 46.02 43.60 3gbj n GLY 180 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gbj s PRO 181 N 0.00 3.88 -0.09 1.61 0.04 -1.26 -1.23 135.00 137.95 3gbj s PRO 181 Ca 0.00 0.98 -0.09 0.00 0.04 0.00 0.00 61.00 61.93 3gbj s PRO 181 Cb 0.00 -2.12 0.02 0.00 0.04 0.00 0.00 34.50 32.44 3gbj s PRO 181 CO 0.00 -0.33 0.26 1.52 0.04 0.00 0.00 177.00 178.49 3gbj s TYR 182 N -2.61 -0.27 -0.41 0.56 1.13 -0.65 -4.91 117.35 110.20 3gbj s TYR 182 Ca 0.59 0.64 -0.29 0.00 -1.41 0.00 0.00 57.07 56.60 3gbj s TYR 182 Cb -0.11 0.09 0.02 0.00 -1.10 0.00 0.00 41.96 40.87 3gbj s TYR 182 CO 0.32 -0.16 1.10 0.08 -2.51 0.00 0.00 175.55 174.38 3gbj s VAL 183 N -0.02 4.36 -0.23 -3.49 1.01 -1.26 -1.98 120.40 118.79 3gbj s VAL 183 Ca -0.01 1.42 -0.29 0.00 0.00 0.00 0.00 61.98 63.09 3gbj s VAL 183 Cb -0.02 -4.51 -0.03 0.00 0.00 0.00 0.00 36.38 31.82 3gbj s VAL 183 CO 0.01 -0.77 1.64 -0.62 0.00 0.00 0.00 175.10 175.36 3gbj s ASP 184 N 2.10 6.32 0.00 3.32 2.15 -0.74 -2.88 116.67 126.95 3gbj s ASP 184 Ca 0.46 1.60 0.00 0.00 0.43 0.00 0.00 52.55 55.04 3gbj s ASP 184 Cb -0.09 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 3gbj s ASP 184 CO 0.24 -1.31 0.00 0.61 -0.17 0.00 0.00 175.17 174.55 3gbj n GLY 185 N 4.75 0.77 3.71 2.66 0.00 -1.26 -4.45 105.19 111.36 3gbj n GLY 185 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 4.35 0.56 0.99 2.96 -1.14 -4.99 118.68 121.41 3gbj s LEU 186 Ca 0.00 2.19 -0.20 0.00 -0.22 0.00 0.00 54.13 55.90 3gbj s LEU 186 Cb 0.00 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 3gbj s LEU 186 CO 0.00 -0.63 1.26 -0.94 -1.32 0.00 0.00 176.35 174.71 3gbj s SER 187 N 1.33 5.35 -0.36 3.68 1.04 -1.26 -5.00 113.70 118.48 3gbj s SER 187 Ca 0.63 2.52 0.01 0.00 0.48 0.00 0.00 55.95 59.59 3gbj s SER 187 Cb -0.34 -2.61 0.15 0.00 0.10 0.00 0.00 66.02 63.32 3gbj s SER 187 CO 0.29 -1.49 0.28 -0.75 0.98 0.00 0.00 173.24 172.55 3gbj s LYS 188 N -3.07 0.60 -0.09 4.02 2.20 -1.26 -4.57 119.74 117.57 3gbj s LYS 188 Ca 0.73 -1.19 -0.23 0.00 -0.36 0.00 0.00 55.97 54.93 3gbj s LYS 188 Cb -0.34 -1.07 -0.04 0.00 -1.51 0.00 0.00 37.83 34.87 3gbj s LYS 188 CO 0.39 -1.21 0.67 -0.51 -0.36 0.00 0.00 175.35 174.33 3gbj s LEU 189 N 1.16 4.29 -0.20 5.43 1.43 -0.10 -4.72 118.68 125.96 3gbj s LEU 189 Ca 0.18 1.12 -0.28 0.00 -1.03 0.00 0.00 54.13 54.12 3gbj s LEU 189 Cb -0.19 -3.03 0.00 0.00 0.03 0.00 0.00 46.19 43.01 3gbj s LEU 189 CO -0.01 -0.12 1.00 0.00 0.23 0.00 0.00 176.35 177.45 3gbj s ALA 190 N 0.91 3.61 0.00 4.21 0.00 -1.26 -0.59 121.76 128.65 3gbj s ALA 190 Ca 0.35 0.19 0.08 0.00 0.00 0.00 0.00 51.96 52.58 3gbj s ALA 190 Cb -0.17 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 3gbj s ALA 190 CO 0.16 -0.92 -0.25 0.14 0.00 0.00 0.00 175.76 174.89 3gbj s VAL 191 N 2.85 2.00 -0.04 0.00 -7.23 -0.05 -5.01 120.40 112.92 3gbj s VAL 191 Ca 0.44 -1.17 0.05 0.00 -1.81 0.00 0.00 61.98 59.49 3gbj s VAL 191 Cb -0.16 -1.68 0.08 0.00 0.56 0.00 0.00 36.38 35.18 3gbj s VAL 191 CO 0.09 0.48 1.02 0.35 -0.31 0.00 0.00 175.10 176.73 3gbj n THR 192 N 2.23 1.19 -3.64 5.32 -2.24 -1.26 -4.13 114.28 111.75 3gbj n THR 192 Ca -0.16 -1.29 -0.03 0.00 -2.27 0.00 0.00 64.05 60.29 3gbj n THR 192 Cb 0.52 0.32 -0.01 0.00 -2.10 0.00 0.00 70.33 69.05 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 -1.47 -0.17 0.22 3.42 1.04 -1.26 -5.00 113.70 110.48 3gbj s SER 193 Ca 0.09 -0.18 -0.09 0.00 0.48 0.00 0.00 55.95 56.25 3gbj s SER 193 Cb 0.08 0.31 0.19 0.00 0.10 0.00 0.00 66.02 66.70 3gbj s SER 193 CO 0.01 -0.56 1.88 0.22 0.98 0.00 0.00 173.24 175.77 3gbj h TYR 194 N 2.00 1.09 -0.66 5.02 3.20 -1.95 -2.42 116.97 123.25 3gbj h TYR 194 Ca -0.23 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.68 3gbj h TYR 194 Cb 1.21 -0.36 -0.05 0.00 1.54 0.00 0.00 36.73 39.07 3gbj h TYR 194 CO 0.32 0.71 0.40 0.87 -1.64 0.00 0.00 178.16 178.82 3gbj h LYS 195 N 1.16 0.74 -0.26 1.82 6.56 -1.98 0.61 116.57 125.22 3gbj h LYS 195 Ca 0.31 -0.04 0.04 0.00 -1.06 0.00 0.00 60.65 59.89 3gbj h LYS 195 Cb -0.09 -0.17 -0.03 0.00 -0.57 0.00 0.00 32.23 31.37 3gbj h LYS 195 CO -0.06 0.49 0.04 -0.44 -2.06 0.00 0.00 179.45 177.42 3gbj h ASP 196 N 0.76 -0.01 0.67 0.86 5.19 -1.88 -2.15 116.42 119.87 3gbj h ASP 196 Ca 0.27 0.04 -0.15 0.00 -0.62 0.00 0.00 57.03 56.58 3gbj h ASP 196 Cb 0.07 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.62 3gbj h ASP 196 CO -0.13 0.03 -0.70 -0.29 -3.12 0.00 0.00 179.24 175.03 3gbj h ILE 197 N 0.13 1.49 -0.52 0.35 2.10 -0.86 -3.02 117.51 117.18 3gbj h ILE 197 Ca 0.12 -2.37 -0.03 0.00 1.08 0.00 0.00 64.86 63.65 3gbj h ILE 197 Cb 0.13 2.28 -0.02 0.00 -1.09 0.00 0.00 36.82 38.11 3gbj h ILE 197 CO -0.17 0.68 0.19 -0.08 -1.08 0.00 0.00 178.15 177.69 3gbj h GLU 198 N 0.02 0.79 0.00 2.19 4.81 0.48 -1.04 114.58 121.83 3gbj h GLU 198 Ca -0.01 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 3gbj h GLU 198 Cb 1.24 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.49 3gbj h GLU 198 CO 0.09 0.71 -0.07 0.66 -0.73 0.00 0.00 179.01 179.67 3gbj h SER 199 N 0.70 0.00 0.03 1.04 4.64 -1.27 0.09 113.55 118.78 3gbj h SER 199 Ca 0.17 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.42 3gbj h SER 199 Cb 0.23 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.33 3gbj h SER 199 CO -0.01 0.07 -0.28 -0.07 -0.87 0.00 0.00 176.83 175.67 3gbj h LEU 200 N 0.00 0.18 -0.52 5.97 3.38 -1.28 -1.17 115.31 121.88 3gbj h LEU 200 Ca -0.00 -0.91 0.10 0.00 0.09 0.00 0.00 57.88 57.16 3gbj h LEU 200 Cb 0.18 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 40.78 3gbj h LEU 200 CO 0.01 1.08 -0.07 0.24 0.09 0.00 0.00 178.44 179.79 3gbj h MET 201 N -0.68 0.05 -0.22 1.13 2.86 -0.89 0.29 114.93 117.48 3gbj h MET 201 Ca -0.04 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3gbj h MET 201 Cb 1.15 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.79 3gbj h MET 201 CO 0.05 0.03 0.12 1.03 1.06 0.00 0.00 176.91 179.20 3gbj h SER 202 N 0.05 0.28 -0.57 1.22 0.87 -1.04 -0.80 113.55 113.56 3gbj h SER 202 Ca 0.26 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 3gbj h SER 202 Cb 0.40 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 3gbj h SER 202 CO -0.49 0.29 0.28 -0.08 -0.53 0.00 0.00 176.83 176.30 3gbj h GLU 203 N 0.24 0.81 -0.30 2.24 4.57 -0.82 -2.40 114.58 118.93 3gbj h GLU 203 Ca 0.08 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 3gbj h GLU 203 Cb 0.07 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 3gbj h GLU 203 CO -0.01 0.65 0.09 0.78 -1.18 0.00 0.00 179.01 179.34 3gbj h GLY 204 N 0.77 0.51 1.74 1.92 0.00 -0.14 -1.98 103.07 105.88 3gbj h GLY 204 Ca 0.20 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.15 3gbj h GLY 204 CO -0.03 0.28 -0.20 3.43 0.00 0.00 0.00 176.54 180.02 3gbj h ASN 205 N 0.33 0.31 -0.27 0.19 2.35 -1.14 -1.68 115.58 115.68 3gbj h ASN 205 Ca 0.10 -0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.77 3gbj h ASN 205 Cb 0.25 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 3gbj h ASN 205 CO -0.00 0.53 0.16 0.11 -1.65 0.00 0.00 177.43 176.57 3gbj h LYS 206 N 0.29 0.32 0.00 0.81 6.56 -1.22 -2.74 116.57 120.59 3gbj h LYS 206 Ca 0.05 -0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.60 3gbj h LYS 206 Cb 0.53 -0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 32.11 3gbj h LYS 206 CO 0.04 0.21 -0.09 0.77 -2.06 0.00 0.00 179.45 178.32 3gbj h SER 207 N 0.33 0.00 -4.34 0.86 0.02 -0.57 -3.52 113.55 106.33 3gbj h SER 207 Ca 0.10 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.54 3gbj h SER 207 Cb -0.01 0.00 0.09 0.00 0.14 0.00 0.00 62.40 62.62 3gbj h SER 207 CO -0.05 0.09 0.38 -0.13 -1.14 0.00 0.00 176.83 175.98 3gbj s ARG 208 N -4.54 3.00 0.00 3.45 0.52 -0.71 -5.05 118.95 115.62 3gbj s ARG 208 Ca -0.04 0.88 0.00 0.00 -0.52 0.00 0.00 55.73 56.05 3gbj s ARG 208 Cb 0.15 -2.00 0.00 0.00 0.52 0.00 0.00 34.95 33.62 3gbj s ARG 208 CO 0.61 -1.03 0.00 -0.85 0.02 0.00 0.00 175.30 174.05 3gbj n GLU 218 N -3.08 0.00 0.20 3.54 -0.00 -1.26 -5.07 120.64 114.97 3gbj n GLU 218 Ca 0.07 0.00 0.05 0.00 -0.00 0.00 0.00 57.16 57.28 3gbj n GLU 218 Cb 0.54 -1.31 0.41 0.00 -0.00 0.00 0.00 31.44 31.07 3gbj n GLU 218 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3gbj h SER 219 N 0.00 0.00 -0.10 -1.84 4.64 -2.02 -2.27 113.55 111.96 3gbj h SER 219 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gbj h SER 219 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3gbj h SER 219 CO 0.00 0.34 0.00 -1.54 -0.87 0.00 0.00 176.83 174.76 3gbj n SER 220 N -3.89 0.92 -0.02 4.97 3.41 -1.26 -3.59 113.62 114.16 3gbj n SER 220 Ca -0.01 -1.61 0.02 0.00 -0.26 0.00 0.00 58.87 57.00 3gbj n SER 220 Cb 0.41 -0.06 0.02 0.00 -0.26 0.00 0.00 64.21 64.32 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 -0.16 2.52 -4.14 4.33 3.00 -0.86 -1.37 116.66 119.98 3gbj n ARG 221 Ca 0.14 -1.62 -0.09 0.00 -0.01 0.00 0.00 57.85 56.27 3gbj n ARG 221 Cb 0.21 -1.05 -0.10 0.00 0.00 0.00 0.00 32.46 31.51 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 -1.26 0.56 -0.21 0.55 1.04 -1.21 -4.70 113.70 108.47 3gbj s SER 222 Ca 0.05 -1.11 -0.12 0.00 0.48 0.00 0.00 55.95 55.25 3gbj s SER 222 Cb 0.05 0.22 -0.05 0.00 0.10 0.00 0.00 66.02 66.34 3gbj s SER 222 CO 0.00 -0.64 0.23 -1.00 0.98 0.00 0.00 173.24 172.81 3gbj s HIS 223 N -3.92 3.37 -0.25 5.02 0.09 -0.06 -2.21 115.29 117.33 3gbj s HIS 223 Ca 0.17 0.39 -0.10 0.00 -0.00 0.00 0.00 55.06 55.52 3gbj s HIS 223 Cb 0.07 -2.31 -0.05 0.00 -0.00 0.00 0.00 32.58 30.29 3gbj s HIS 223 CO -0.03 0.12 0.14 0.00 -0.00 0.00 0.00 174.74 174.97 3gbj s ALA 224 N 0.88 3.48 -0.25 -1.40 0.00 -0.63 0.03 121.76 123.87 3gbj s ALA 224 Ca 0.11 -0.99 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 3gbj s ALA 224 Cb -0.13 -2.29 0.03 0.00 0.00 0.00 0.00 23.12 20.72 3gbj s ALA 224 CO 0.04 -0.33 -0.06 0.08 0.00 0.00 0.00 175.76 175.49 3gbj s VAL 225 N 1.33 2.88 -0.35 0.00 1.01 0.88 -0.97 120.40 125.17 3gbj s VAL 225 Ca 0.07 -1.01 -0.12 0.00 0.00 0.00 0.00 61.98 60.91 3gbj s VAL 225 Cb -0.15 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.78 3gbj s VAL 225 CO 0.06 0.20 0.22 0.12 0.00 0.00 0.00 175.10 175.70 3gbj s PHE 226 N 1.33 3.22 -0.14 5.22 5.36 -0.43 -1.30 117.98 131.24 3gbj s PHE 226 Ca 0.00 -0.57 0.01 0.00 -0.96 0.00 0.00 56.93 55.41 3gbj s PHE 226 Cb -0.17 -2.45 -0.00 0.00 -0.34 0.00 0.00 43.02 40.06 3gbj s PHE 226 CO -0.04 -0.50 -0.17 0.21 -1.46 0.00 0.00 175.22 173.26 3gbj s LYS 227 N 1.64 3.20 -0.13 10.12 2.20 0.79 -0.66 119.74 136.90 3gbj s LYS 227 Ca 0.04 -0.77 0.00 0.00 -0.36 0.00 0.00 55.97 54.89 3gbj s LYS 227 Cb -0.18 -2.57 -0.01 0.00 -1.51 0.00 0.00 37.83 33.56 3gbj s LYS 227 CO 0.08 0.05 -0.14 0.42 -0.36 0.00 0.00 175.35 175.40 3gbj s ILE 228 N 0.71 2.92 -0.24 5.43 1.01 0.71 -1.02 121.20 130.71 3gbj s ILE 228 Ca -0.08 -0.71 -0.04 0.00 0.00 0.00 0.00 60.65 59.83 3gbj s ILE 228 Cb -0.16 -2.22 0.00 0.00 0.01 0.00 0.00 42.46 40.10 3gbj s ILE 228 CO 0.01 0.53 -0.02 -0.89 0.00 0.00 0.00 174.94 174.57 3gbj s THR 229 N 0.38 3.37 -0.34 2.92 2.01 -0.08 -0.31 115.64 123.59 3gbj s THR 229 Ca -0.12 -0.67 -0.10 0.00 0.31 0.00 0.00 61.69 61.12 3gbj s THR 229 Cb -0.16 -2.62 0.01 0.00 0.01 0.00 0.00 72.50 69.74 3gbj s THR 229 CO 0.06 0.30 0.16 -0.22 -0.69 0.00 0.00 174.62 174.22 3gbj s LEU 230 N 1.44 4.36 -0.28 4.42 2.96 0.96 -1.90 118.68 130.64 3gbj s LEU 230 Ca 0.04 -0.81 -0.07 0.00 -0.22 0.00 0.00 54.13 53.07 3gbj s LEU 230 Cb -0.15 -1.98 0.00 0.00 0.50 0.00 0.00 46.19 44.55 3gbj s LEU 230 CO -0.02 -0.29 0.06 -0.89 -1.32 0.00 0.00 176.35 173.89 3gbj s THR 231 N 1.55 3.95 -0.23 3.68 2.01 -0.09 -1.16 115.64 125.35 3gbj s THR 231 Ca 0.03 -0.59 -0.05 0.00 0.31 0.00 0.00 61.69 61.38 3gbj s THR 231 Cb -0.18 -2.98 -0.02 0.00 0.01 0.00 0.00 72.50 69.33 3gbj s THR 231 CO 0.06 0.16 -0.00 -2.28 -0.69 0.00 0.00 174.62 171.86 3gbj s HIS 232 N 1.51 3.00 -0.06 4.92 2.46 0.46 -0.72 115.29 126.87 3gbj s HIS 232 Ca 0.03 -0.73 0.06 0.00 0.47 0.00 0.00 55.06 54.89 3gbj s HIS 232 Cb -0.17 -2.15 -0.01 0.00 -0.13 0.00 0.00 32.58 30.13 3gbj s HIS 232 CO 0.02 -0.46 -0.25 0.99 -2.47 0.00 0.00 174.74 172.57 3gbj s THR 233 N 1.49 2.09 0.00 0.89 2.01 -0.01 -0.05 115.64 122.06 3gbj s THR 233 Ca 0.06 -1.05 0.00 0.00 0.31 0.00 0.00 61.69 61.01 3gbj s THR 233 Cb -0.15 -1.76 0.00 0.00 0.01 0.00 0.00 72.50 70.60 3gbj s THR 233 CO -0.01 0.57 0.00 0.18 -0.69 0.00 0.00 174.62 174.67 3gbj n LEU 234 N 3.00 0.00 0.00 4.42 7.99 0.02 -0.22 117.00 132.21 3gbj n LEU 234 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.82 3gbj n LEU 234 Cb 0.52 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.83 3gbj n LEU 234 CO 0.26 0.00 0.00 1.07 -1.51 0.00 0.00 177.39 177.21 3gbj n THR 241 N -0.74 0.00 -4.21 -5.08 5.66 -1.26 -2.52 114.28 106.13 3gbj n THR 241 Ca 0.00 0.02 -0.29 0.00 -3.05 0.00 0.00 64.05 60.73 3gbj n THR 241 Cb 0.00 -0.12 -0.09 0.00 -1.55 0.00 0.00 70.33 68.57 3gbj n THR 241 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 3gbj s SER 242 N -0.61 4.53 -0.02 1.09 0.15 -1.26 -5.13 113.70 112.45 3gbj s SER 242 Ca 0.00 -0.38 -0.17 0.00 0.70 0.00 0.00 55.95 56.10 3gbj s SER 242 Cb 0.00 -0.90 0.03 0.00 -1.71 0.00 0.00 66.02 63.43 3gbj s SER 242 CO 0.00 0.15 0.36 -0.83 1.20 0.00 0.00 173.24 174.12 3gbj s GLY 243 N -2.42 -0.21 -0.07 9.45 0.00 -1.05 -5.17 107.32 107.85 3gbj s GLY 243 Ca 0.23 0.46 -0.01 0.00 0.00 0.00 0.00 44.72 45.40 3gbj s GLY 243 CO 0.15 0.23 -0.02 1.85 0.00 0.00 0.00 173.10 175.31 3gbj s GLU 244 N -1.31 0.80 -0.09 2.90 2.12 -1.26 -0.80 118.70 121.07 3gbj s GLU 244 Ca -0.13 0.01 -0.02 0.00 0.36 0.00 0.00 54.97 55.18 3gbj s GLU 244 Cb -0.05 -1.04 -0.03 0.00 0.26 0.00 0.00 34.13 33.27 3gbj s GLU 244 CO 0.05 -0.25 0.02 0.15 -0.54 0.00 0.00 175.26 174.69 3gbj s LYS 245 N 1.70 3.04 -0.09 4.30 1.02 0.92 -4.96 119.74 125.67 3gbj s LYS 245 Ca 0.01 -0.37 -0.00 0.00 0.02 0.00 0.00 55.97 55.63 3gbj s LYS 245 Cb -0.13 -2.85 0.02 0.00 -0.52 0.00 0.00 37.83 34.36 3gbj s LYS 245 CO -0.04 0.71 -0.07 0.08 -0.92 0.00 0.00 175.35 175.11 3gbj s VAL 246 N -0.91 0.87 -0.09 3.17 1.01 -1.26 -0.40 120.40 122.79 3gbj s VAL 246 Ca 0.14 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.93 3gbj s VAL 246 Cb -0.11 -0.90 -0.00 0.00 0.00 0.00 0.00 36.38 35.36 3gbj s VAL 246 CO 0.03 0.33 -0.24 -0.83 0.00 0.00 0.00 175.10 174.39 3gbj s GLY 247 N 1.52 1.34 -0.08 4.51 0.00 -0.31 -3.78 107.32 110.51 3gbj s GLY 247 Ca 0.00 -0.98 0.02 0.00 0.00 0.00 0.00 44.72 43.76 3gbj s GLY 247 CO -0.05 -0.40 -0.14 0.54 0.00 0.00 0.00 173.10 173.06 3gbj s LYS 248 N 0.22 2.88 -0.10 2.90 1.02 -1.20 -0.03 119.74 125.43 3gbj s LYS 248 Ca -0.15 -0.69 0.03 0.00 0.02 0.00 0.00 55.97 55.18 3gbj s LYS 248 Cb -0.17 -2.49 0.01 0.00 -0.52 0.00 0.00 37.83 34.66 3gbj s LYS 248 CO 0.08 0.45 -0.19 -0.51 -0.92 0.00 0.00 175.35 174.26 3gbj s LEU 249 N -0.28 1.92 -0.17 3.17 1.43 0.57 -1.23 118.68 124.09 3gbj s LEU 249 Ca 0.02 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.64 3gbj s LEU 249 Cb -0.13 -1.23 0.02 0.00 0.03 0.00 0.00 46.19 44.89 3gbj s LEU 249 CO 0.03 0.08 -0.17 -0.44 0.23 0.00 0.00 176.35 176.08 3gbj s SER 250 N 0.66 3.04 -0.30 2.29 0.01 -0.42 -0.21 113.70 118.76 3gbj s SER 250 Ca -0.13 -0.63 -0.04 0.00 1.31 0.00 0.00 55.95 56.46 3gbj s SER 250 Cb -0.16 -1.37 0.04 0.00 0.21 0.00 0.00 66.02 64.74 3gbj s SER 250 CO 0.03 -0.03 0.03 -0.76 0.41 0.00 0.00 173.24 172.92 3gbj s LEU 251 N 1.36 3.90 -0.14 2.44 1.43 0.17 -1.30 118.68 126.53 3gbj s LEU 251 Ca 0.04 -1.11 -0.00 0.00 -1.03 0.00 0.00 54.13 52.03 3gbj s LEU 251 Cb -0.13 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.31 3gbj s LEU 251 CO -0.12 -0.25 -0.14 -0.69 0.23 0.00 0.00 176.35 175.39 3gbj s VAL 252 N 1.33 2.92 -0.57 -1.59 1.01 0.25 -1.31 120.40 122.44 3gbj s VAL 252 Ca -0.03 -0.70 -0.10 0.00 0.00 0.00 0.00 61.98 61.16 3gbj s VAL 252 Cb -0.19 -2.23 0.15 0.00 0.00 0.00 0.00 36.38 34.11 3gbj s VAL 252 CO -0.00 0.52 0.46 -0.62 0.00 0.00 0.00 175.10 175.46 3gbj s ASP 253 N 0.58 5.91 0.74 3.32 -1.08 -0.15 -1.07 116.67 124.92 3gbj s ASP 253 Ca -0.08 -2.17 -0.11 0.00 -0.52 0.00 0.00 52.55 49.66 3gbj s ASP 253 Cb -0.16 -2.06 0.04 0.00 -1.46 0.00 0.00 42.92 39.29 3gbj s ASP 253 CO 0.03 -0.65 1.09 -0.76 0.52 0.00 0.00 175.17 175.40 3gbj s LEU 254 N 0.98 3.11 0.49 -1.34 1.43 -0.98 -1.60 118.68 120.78 3gbj s LEU 254 Ca 0.09 1.84 -0.23 0.00 -1.03 0.00 0.00 54.13 54.80 3gbj s LEU 254 Cb -0.23 -4.52 -0.06 0.00 0.03 0.00 0.00 46.19 41.40 3gbj s LEU 254 CO -0.02 -1.90 1.29 0.00 0.23 0.00 0.00 176.35 175.94 3gbj s ALA 255 N -2.80 2.95 0.25 4.21 0.00 -0.94 -4.82 121.76 120.60 3gbj s ALA 255 Ca 0.62 1.19 -0.29 0.00 0.00 0.00 0.00 51.96 53.48 3gbj s ALA 255 Cb -0.17 -3.49 -0.15 0.00 0.00 0.00 0.00 23.12 19.30 3gbj s ALA 255 CO 0.53 -1.04 0.91 0.41 0.00 0.00 0.00 175.76 176.57 3gbj n GLY 256 N 0.61 -0.58 0.02 0.00 0.00 -0.47 -4.73 105.19 100.04 3gbj n GLY 256 Ca 0.08 0.36 0.12 0.00 0.00 0.00 0.00 46.02 46.59 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 1.52 0.55 -4.70 1.61 3.41 -0.91 -4.87 113.62 110.23 3gbj n SER 257 Ca 0.12 -0.09 -0.32 0.00 -0.26 0.00 0.00 58.87 58.32 3gbj n SER 257 Cb 0.29 0.22 0.13 0.00 -0.26 0.00 0.00 64.21 64.59 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 -3.07 1.51 -0.24 4.33 1.03 -1.26 -4.95 118.70 116.04 3gbj s GLU 258 Ca 0.09 1.63 -0.24 0.00 0.03 0.00 0.00 54.97 56.48 3gbj s GLU 258 Cb 0.16 -1.77 -0.01 0.00 -0.80 0.00 0.00 34.13 31.71 3gbj s GLU 258 CO 0.71 -2.28 0.80 -0.98 -1.33 0.00 0.00 175.26 172.17 3gbj s ARG 259 N -4.36 4.17 0.15 -4.83 3.03 -1.26 -5.05 118.95 110.80 3gbj s ARG 259 Ca 0.70 0.88 0.05 0.00 2.03 0.00 0.00 55.73 59.39 3gbj s ARG 259 Cb -0.25 -3.65 0.16 0.00 -1.03 0.00 0.00 34.95 30.18 3gbj s ARG 259 CO 0.53 -0.50 0.30 0.27 -1.13 0.00 0.00 175.30 174.76 3gbj n ASN 275 N 5.97 0.00 -0.27 -2.89 2.04 -1.26 -5.21 115.26 113.63 3gbj n ASN 275 Ca 0.05 0.17 0.05 0.00 -0.44 0.00 0.00 54.58 54.40 3gbj n ASN 275 Cb 0.48 -0.05 0.18 0.00 -2.53 0.00 0.00 39.78 37.86 3gbj n ASN 275 CO 0.00 0.00 0.00 -0.29 -0.44 0.00 0.00 177.26 176.53 3gbj h ILE 276 N 0.00 0.77 -0.60 1.53 2.10 -1.99 -0.22 117.51 119.10 3gbj h ILE 276 Ca 0.09 -0.21 -0.04 0.00 1.08 0.00 0.00 64.86 65.78 3gbj h ILE 276 Cb 0.66 0.11 -0.03 0.00 -1.09 0.00 0.00 36.82 36.47 3gbj h ILE 276 CO -0.00 0.11 0.20 -1.13 -1.08 0.00 0.00 178.15 176.25 3gbj h ASN 277 N 0.61 0.86 -0.17 2.19 -0.73 -1.96 -2.78 115.58 113.60 3gbj h ASN 277 Ca 0.41 -0.20 0.02 0.00 1.87 0.00 0.00 56.30 58.40 3gbj h ASN 277 Cb 0.53 -0.23 -0.02 0.00 0.27 0.00 0.00 38.32 38.87 3gbj h ASN 277 CO -0.33 0.83 0.06 0.11 -0.37 0.00 0.00 177.43 177.73 3gbj h LYS 278 N 0.85 0.14 -0.58 6.67 1.79 -1.53 0.19 116.57 124.10 3gbj h LYS 278 Ca 0.20 -0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.59 3gbj h LYS 278 Cb 0.27 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.86 3gbj h LYS 278 CO -0.01 0.09 0.12 0.66 -1.08 0.00 0.00 179.45 179.23 3gbj h SER 279 N 0.14 0.90 -0.45 0.86 4.64 -1.18 0.29 113.55 118.75 3gbj h SER 279 Ca 0.07 -0.25 -0.03 0.00 -0.47 0.00 0.00 61.79 61.11 3gbj h SER 279 Cb 0.04 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.87 3gbj h SER 279 CO -0.07 0.92 0.15 -0.07 -0.87 0.00 0.00 176.83 176.88 3gbj h LEU 280 N 0.85 0.65 0.11 5.97 3.38 -1.26 0.27 115.31 125.28 3gbj h LEU 280 Ca 0.18 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3gbj h LEU 280 Cb 0.38 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3gbj h LEU 280 CO 0.01 0.68 -0.10 0.74 0.09 0.00 0.00 178.44 179.85 3gbj h THR 281 N 0.59 0.76 -0.70 0.22 2.02 -0.26 -0.66 112.91 114.89 3gbj h THR 281 Ca 0.15 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.39 3gbj h THR 281 Cb 0.25 0.76 -0.06 0.00 -1.74 0.00 0.00 68.15 67.37 3gbj h THR 281 CO -0.01 0.00 0.39 0.74 0.37 0.00 0.00 175.52 177.01 3gbj h THR 282 N -0.23 0.95 -0.90 3.16 2.02 -0.14 -0.74 112.91 117.03 3gbj h THR 282 Ca 0.00 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 3gbj h THR 282 Cb 0.22 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 66.77 3gbj h THR 282 CO -0.03 0.13 0.51 0.25 0.37 0.00 0.00 175.52 176.75 3gbj h LEU 283 N 0.70 1.11 0.53 2.58 5.85 -0.23 0.24 115.31 126.09 3gbj h LEU 283 Ca 0.32 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 3gbj h LEU 283 Cb 0.23 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3gbj h LEU 283 CO -0.20 0.88 -0.50 1.23 -0.34 0.00 0.00 178.44 179.51 3gbj h GLY 284 N 1.25 -1.24 0.10 3.75 0.00 -0.05 0.10 103.07 106.98 3gbj h GLY 284 Ca 0.32 0.57 0.12 0.00 0.00 0.00 0.00 47.33 48.34 3gbj h GLY 284 CO -0.05 -0.38 0.09 1.41 0.00 0.00 0.00 176.54 177.61 3gbj h LEU 285 N -1.02 -0.09 -0.05 3.11 3.38 -0.81 0.16 115.31 120.00 3gbj h LEU 285 Ca -0.06 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3gbj h LEU 285 Cb 0.87 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 3gbj h LEU 285 CO -0.05 -0.03 0.02 0.58 0.09 0.00 0.00 178.44 179.05 3gbj h VAL 286 N 0.21 1.00 -0.55 1.22 2.07 -0.30 -1.25 116.25 118.66 3gbj h VAL 286 Ca 0.32 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.78 3gbj h VAL 286 Cb 0.50 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3gbj h VAL 286 CO -0.44 0.01 0.20 0.40 0.02 0.00 0.00 177.57 177.75 3gbj h ILE 287 N 0.05 1.23 -0.71 4.57 2.04 0.14 -2.08 117.51 122.75 3gbj h ILE 287 Ca 0.02 -0.74 0.02 0.00 1.00 0.00 0.00 64.86 65.16 3gbj h ILE 287 Cb 0.00 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 3gbj h ILE 287 CO -0.01 0.28 0.47 0.28 0.00 0.00 0.00 178.15 179.17 3gbj h SER 288 N 0.75 0.78 -0.32 1.72 0.02 -0.61 -0.69 113.55 115.20 3gbj h SER 288 Ca 0.18 -0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.21 3gbj h SER 288 Cb 0.24 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3gbj h SER 288 CO -0.01 0.55 0.38 0.00 -1.14 0.00 0.00 176.83 176.61 3gbj h ALA 289 N 1.57 1.97 -0.65 3.77 0.00 -0.49 -3.47 119.26 121.96 3gbj h ALA 289 Ca 0.27 -0.01 -0.45 0.00 0.00 0.00 0.00 54.91 54.72 3gbj h ALA 289 Cb -0.02 0.02 -0.19 0.00 0.00 0.00 0.00 17.79 17.60 3gbj h ALA 289 CO -0.07 -0.54 0.57 1.47 0.00 0.00 0.00 179.25 180.68 3gbj n LEU 290 N -3.66 6.88 0.00 0.00 -0.00 -0.27 -5.11 117.00 114.85 3gbj n LEU 290 Ca 0.05 -3.68 0.00 0.00 -0.00 0.00 0.00 56.01 52.39 3gbj n LEU 290 Cb 0.53 -1.04 0.00 0.00 -0.00 0.00 0.00 43.42 42.91 3gbj n LEU 290 CO 0.26 1.34 0.00 0.52 -0.00 0.00 0.00 177.39 179.51 3gbj n VAL 303 N -0.04 0.00 0.94 1.47 0.31 -1.26 -4.97 118.33 114.78 3gbj n VAL 303 Ca 0.42 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.75 3gbj n VAL 303 Cb 0.60 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.53 3gbj n VAL 303 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3gbj n PRO 304 N -0.00 0.85 -0.15 5.55 -0.02 -1.26 -4.62 135.00 135.35 3gbj n PRO 304 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3gbj n PRO 304 Cb 0.00 -1.38 0.02 0.00 -0.02 0.00 0.00 33.50 32.11 3gbj n PRO 304 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3gbj n TYR 305 N 0.02 0.01 0.68 6.00 4.01 -1.26 0.19 117.16 126.81 3gbj n TYR 305 Ca 0.00 0.48 0.09 0.00 -0.16 0.00 0.00 57.90 58.31 3gbj n TYR 305 Cb 0.19 -0.64 0.41 0.00 -0.31 0.00 0.00 39.34 38.99 3gbj n TYR 305 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3gbj n ARG 306 N -4.57 0.04 0.23 -0.72 5.12 -1.26 -2.03 116.66 113.47 3gbj n ARG 306 Ca 0.04 0.17 0.16 0.00 -1.93 0.00 0.00 57.85 56.28 3gbj n ARG 306 Cb 0.16 -1.50 0.59 0.00 -1.16 0.00 0.00 32.46 30.55 3gbj n ARG 306 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 3gbj h ASP 307 N 0.00 0.00 -4.43 0.55 3.32 0.17 -3.44 116.42 112.60 3gbj h ASP 307 Ca 0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 3gbj h ASP 307 Cb 0.30 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 39.61 3gbj h ASP 307 CO 0.00 0.00 -0.75 -0.55 -1.72 0.00 0.00 179.24 176.22 3gbj s SER 308 N -5.37 0.90 0.27 6.45 0.15 -1.20 -4.88 113.70 110.02 3gbj s SER 308 Ca 0.03 -0.39 -0.03 0.00 0.70 0.00 0.00 55.95 56.25 3gbj s SER 308 Cb 0.09 -0.02 0.35 0.00 -1.71 0.00 0.00 66.02 64.73 3gbj s SER 308 CO 0.52 -0.08 1.86 1.62 1.20 0.00 0.00 173.24 178.36 3gbj h VAL 309 N 4.66 1.23 0.53 4.45 3.04 -1.86 0.61 116.25 128.91 3gbj h VAL 309 Ca -0.34 -0.69 -0.03 0.00 -1.01 0.00 0.00 66.70 64.64 3gbj h VAL 309 Cb 1.20 0.37 0.01 0.00 -2.01 0.00 0.00 31.29 30.85 3gbj h VAL 309 CO 0.44 0.28 -0.26 0.25 -1.01 0.00 0.00 177.57 177.28 3gbj h LEU 310 N 1.00 -0.60 -1.14 3.16 5.85 -1.95 -0.33 115.31 121.29 3gbj h LEU 310 Ca 0.24 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.88 3gbj h LEU 310 Cb 0.15 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3gbj h LEU 310 CO -0.03 -0.41 -0.39 0.71 -0.34 0.00 0.00 178.44 177.98 3gbj h THR 311 N -0.74 1.09 -0.06 1.05 1.35 -1.74 -1.85 112.91 112.00 3gbj h THR 311 Ca -0.07 -1.43 -0.05 0.00 -0.55 0.00 0.00 66.41 64.31 3gbj h THR 311 Cb 0.56 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 3gbj h THR 311 CO 0.12 0.38 -0.16 -0.25 -0.25 0.00 0.00 175.52 175.36 3gbj h TRP 312 N 0.00 0.28 -0.03 4.73 7.01 -0.26 -1.89 115.95 125.79 3gbj h TRP 312 Ca -0.00 -0.11 -0.06 0.00 2.11 0.00 0.00 58.89 60.83 3gbj h TRP 312 Cb 0.78 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.78 3gbj h TRP 312 CO 0.00 0.77 -0.27 -0.07 -2.79 0.00 0.00 178.44 176.09 3gbj h LEU 313 N -0.28 0.06 -1.44 0.65 3.38 -0.97 -2.65 115.31 114.05 3gbj h LEU 313 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3gbj h LEU 313 Cb 0.77 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3gbj h LEU 313 CO 0.04 0.32 0.00 0.18 0.09 0.00 0.00 178.44 179.07 3gbj n LEU 314 N -4.20 2.16 -0.34 1.67 4.77 -0.71 -4.39 117.00 115.97 3gbj n LEU 314 Ca -0.02 -0.91 0.15 0.00 -0.03 0.00 0.00 56.01 55.20 3gbj n LEU 314 Cb 0.33 -0.14 0.35 0.00 -2.33 0.00 0.00 43.42 41.62 3gbj n LEU 314 CO 0.38 0.46 1.14 0.11 -1.33 0.00 0.00 177.39 178.15 3gbj h LYS 315 N 2.85 0.57 -0.72 3.23 1.79 -0.96 0.30 116.57 123.64 3gbj h LYS 315 Ca 0.00 -0.03 0.12 0.00 -2.18 0.00 0.00 60.65 58.55 3gbj h LYS 315 Cb 0.63 -0.13 -0.05 0.00 -1.58 0.00 0.00 32.23 31.10 3gbj h LYS 315 CO 0.00 0.38 0.48 0.38 -1.08 0.00 0.00 179.45 179.60 3gbj h ASP 316 N 0.59 0.46 -0.16 0.86 2.03 -1.83 -2.86 116.42 115.51 3gbj h ASP 316 Ca 0.60 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.92 3gbj h ASP 316 Cb 1.09 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 39.51 3gbj h ASP 316 CO -0.46 0.26 0.00 -1.20 -1.03 0.00 0.00 179.24 176.81 3gbj n SER 317 N -4.49 2.31 -0.08 4.15 7.64 0.02 -4.59 113.62 118.58 3gbj n SER 317 Ca 0.13 -1.80 -0.23 0.00 1.01 0.00 0.00 58.87 57.98 3gbj n SER 317 Cb 0.42 -0.11 -0.12 0.00 -1.01 0.00 0.00 64.21 63.40 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 0.23 2.13 0.00 -3.43 4.77 -0.72 -4.35 117.00 115.64 3gbj n LEU 318 Ca 0.07 0.33 -0.09 0.00 -0.03 0.00 0.00 56.01 56.29 3gbj n LEU 318 Cb 0.31 -0.98 0.03 0.00 -2.33 0.00 0.00 43.42 40.45 3gbj n LEU 318 CO 0.05 0.50 0.16 0.61 -1.33 0.00 0.00 177.39 177.38 3gbj n GLY 319 N 1.60 1.95 7.00 -0.72 0.00 -1.23 -4.79 105.19 109.00 3gbj n GLY 319 Ca -0.36 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.49 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 1.90 0.30 1.48 -0.02 0.00 -1.26 -3.42 105.19 104.18 3gbj n GLY 320 Ca 0.07 -0.75 0.11 0.00 0.00 0.00 0.00 46.02 45.45 3gbj n GLY 320 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3gbj n ASN 321 N 6.34 4.37 -4.77 1.61 0.23 -1.26 -4.90 115.26 116.88 3gbj n ASN 321 Ca 0.00 -2.21 -0.36 0.00 -0.53 0.00 0.00 54.58 51.48 3gbj n ASN 321 Cb 0.00 -0.54 -0.00 0.00 -2.08 0.00 0.00 39.78 37.16 3gbj n ASN 321 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 3gbj s SER 322 N -0.96 5.90 -0.04 0.53 1.04 -1.22 -4.79 113.70 114.16 3gbj s SER 322 Ca 0.51 2.25 0.06 0.00 0.48 0.00 0.00 55.95 59.24 3gbj s SER 322 Cb 0.29 -2.59 -0.02 0.00 0.10 0.00 0.00 66.02 63.80 3gbj s SER 322 CO 0.30 -1.10 -0.20 -1.59 0.98 0.00 0.00 173.24 171.63 3gbj s LYS 323 N -3.03 2.34 0.02 4.02 -2.85 -0.90 -3.38 119.74 115.95 3gbj s LYS 323 Ca 0.69 -0.81 0.07 0.00 -1.00 0.00 0.00 55.97 54.93 3gbj s LYS 323 Cb -0.26 -2.22 -0.02 0.00 -2.06 0.00 0.00 37.83 33.26 3gbj s LYS 323 CO 0.31 0.58 -0.23 0.99 0.10 0.00 0.00 175.35 177.10 3gbj s THR 324 N -0.65 1.80 -0.02 3.79 2.01 -0.32 -3.06 115.64 119.19 3gbj s THR 324 Ca 0.10 -1.12 0.06 0.00 0.31 0.00 0.00 61.69 61.04 3gbj s THR 324 Cb -0.10 -1.53 -0.01 0.00 0.01 0.00 0.00 72.50 70.87 3gbj s THR 324 CO -0.00 0.37 -0.19 0.00 -0.69 0.00 0.00 174.62 174.11 3gbj s ALA 325 N -0.67 1.64 -0.09 7.40 0.00 -0.36 0.02 121.76 129.70 3gbj s ALA 325 Ca 0.09 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.24 3gbj s ALA 325 Cb -0.09 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.60 3gbj s ALA 325 CO 0.01 0.38 -0.12 1.41 0.00 0.00 0.00 175.76 177.43 3gbj s MET 326 N -0.34 1.84 -0.37 0.00 1.75 -0.28 -0.88 119.30 121.01 3gbj s MET 326 Ca 0.05 -0.43 -0.11 0.00 -1.25 0.00 0.00 55.69 53.94 3gbj s MET 326 Cb -0.09 -1.59 0.02 0.00 2.84 0.00 0.00 34.83 36.02 3gbj s MET 326 CO 0.00 -0.05 0.21 0.08 -0.65 0.00 0.00 175.02 174.62 3gbj s VAL 327 N 0.93 4.64 -0.34 10.11 1.01 0.48 -0.60 120.40 136.63 3gbj s VAL 327 Ca -0.09 -0.82 -0.20 0.00 0.00 0.00 0.00 61.98 60.87 3gbj s VAL 327 Cb -0.15 -3.58 -0.00 0.00 0.00 0.00 0.00 36.38 32.65 3gbj s VAL 327 CO 0.00 -0.23 0.62 0.00 0.00 0.00 0.00 175.10 175.50 3gbj s ALA 328 N 1.57 3.48 -0.06 5.51 0.00 0.06 -1.10 121.76 131.22 3gbj s ALA 328 Ca 0.02 -0.80 -0.15 0.00 0.00 0.00 0.00 51.96 51.03 3gbj s ALA 328 Cb -0.19 -3.14 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 3gbj s ALA 328 CO 0.07 -1.26 0.38 0.95 0.00 0.00 0.00 175.76 175.91 3gbj s THR 329 N 2.66 5.14 0.03 0.00 -4.23 0.43 -0.98 115.64 118.70 3gbj s THR 329 Ca 0.24 0.77 0.02 0.00 -1.18 0.00 0.00 61.69 61.54 3gbj s THR 329 Cb -0.15 -3.70 -0.02 0.00 1.34 0.00 0.00 72.50 69.97 3gbj s THR 329 CO 0.14 0.49 -0.07 0.68 -0.54 0.00 0.00 174.62 175.32 3gbj s VAL 330 N -0.41 0.52 0.38 2.29 -7.23 -0.05 -4.20 120.40 111.70 3gbj s VAL 330 Ca 0.22 -0.91 -0.25 0.00 -1.81 0.00 0.00 61.98 59.23 3gbj s VAL 330 Cb -0.15 -0.56 -0.09 0.00 0.56 0.00 0.00 36.38 36.14 3gbj s VAL 330 CO 0.10 -0.28 1.08 -0.55 -0.31 0.00 0.00 175.10 175.14 3gbj s SER 331 N -1.30 6.81 0.02 4.85 0.15 -1.26 -2.06 113.70 120.92 3gbj s SER 331 Ca -0.08 2.13 0.27 0.00 0.70 0.00 0.00 55.95 58.97 3gbj s SER 331 Cb -0.08 -2.60 0.85 0.00 -1.71 0.00 0.00 66.02 62.48 3gbj s SER 331 CO 0.00 -0.46 1.67 -0.81 1.20 0.00 0.00 173.24 174.85 3gbj n PRO 332 N 0.19 0.04 -3.32 5.44 -0.05 -1.26 -4.90 135.00 131.13 3gbj n PRO 332 Ca 0.04 0.02 -0.36 0.00 -0.05 0.00 0.00 63.50 63.15 3gbj n PRO 332 Cb 0.48 -1.53 -0.06 0.00 -0.05 0.00 0.00 33.50 32.34 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 -3.02 3.56 0.44 0.55 0.00 -1.26 -0.58 121.76 121.44 3gbj s ALA 333 Ca 0.12 -0.08 0.18 0.00 0.00 0.00 0.00 51.96 52.18 3gbj s ALA 333 Cb 0.18 -2.57 1.11 0.00 0.00 0.00 0.00 23.12 21.84 3gbj s ALA 333 CO 0.62 0.43 1.89 0.00 0.00 0.00 0.00 175.76 178.71 3gbj h ALA 334 N 3.61 2.22 0.00 0.00 0.00 -0.69 -1.69 119.26 122.71 3gbj h ALA 334 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3gbj h ALA 334 Cb 1.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3gbj h ALA 334 CO 0.65 -0.46 0.00 -0.40 0.00 0.00 0.00 179.25 179.05 3gbj n ASP 335 N -4.47 0.39 -0.67 0.00 5.75 -1.26 -1.91 116.55 114.38 3gbj n ASP 335 Ca 0.16 0.61 0.08 0.00 -0.01 0.00 0.00 54.79 55.63 3gbj n ASP 335 Cb 0.63 -0.69 0.21 0.00 -1.03 0.00 0.00 41.12 40.24 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 -1.95 3.38 -0.30 -1.12 3.02 -0.64 -4.80 115.26 112.85 3gbj n ASN 336 Ca 0.02 -2.80 0.09 0.00 -0.03 0.00 0.00 54.58 51.86 3gbj n ASN 336 Cb 0.17 -0.44 0.21 0.00 -0.61 0.00 0.00 39.78 39.10 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 1.46 -0.11 0.15 3.10 5.03 -1.45 -1.03 116.97 124.11 3gbj h TYR 337 Ca 0.00 0.07 -0.01 0.00 2.58 0.00 0.00 58.73 61.37 3gbj h TYR 337 Cb 1.20 0.19 0.00 0.00 1.55 0.00 0.00 36.73 39.67 3gbj h TYR 337 CO 0.35 -0.34 -0.07 -0.44 -1.32 0.00 0.00 178.16 176.33 3gbj h ASP 338 N 0.05 -0.17 0.37 -2.11 3.32 -1.87 -1.00 116.42 115.01 3gbj h ASP 338 Ca 0.49 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.34 3gbj h ASP 338 Cb 0.92 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 3gbj h ASP 338 CO -0.82 -0.02 -0.48 -0.33 -1.72 0.00 0.00 179.24 175.88 3gbj h GLU 339 N -0.32 0.14 -0.12 3.56 4.39 -1.80 -2.28 114.58 118.14 3gbj h GLU 339 Ca -0.02 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 3gbj h GLU 339 Cb 0.25 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 3gbj h GLU 339 CO 0.03 0.59 0.05 1.15 -1.16 0.00 0.00 179.01 179.67 3gbj h THR 340 N 0.11 1.16 -0.11 1.13 2.02 -0.97 -0.27 112.91 115.98 3gbj h THR 340 Ca 0.00 -0.47 0.03 0.00 0.77 0.00 0.00 66.41 66.75 3gbj h THR 340 Cb 0.89 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 68.51 3gbj h THR 340 CO 0.07 0.14 -0.10 0.25 0.37 0.00 0.00 175.52 176.25 3gbj h LEU 341 N 0.03 -0.32 -0.58 2.58 5.85 -1.06 -0.80 115.31 121.02 3gbj h LEU 341 Ca 0.04 0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.94 3gbj h LEU 341 Cb 0.18 0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.28 3gbj h LEU 341 CO -0.00 -0.14 0.04 -1.28 -0.34 0.00 0.00 178.44 176.71 3gbj h SER 342 N -0.13 -0.18 -0.51 1.25 0.87 -1.29 0.79 113.55 114.36 3gbj h SER 342 Ca 0.08 0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.76 3gbj h SER 342 Cb 0.24 0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 3gbj h SER 342 CO -0.18 -0.07 0.30 0.74 -0.53 0.00 0.00 176.83 177.08 3gbj h THR 343 N 0.15 1.16 -0.63 2.23 2.02 -0.36 -0.06 112.91 117.42 3gbj h THR 343 Ca 0.30 -0.38 -0.06 0.00 0.77 0.00 0.00 66.41 67.04 3gbj h THR 343 Cb 0.47 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 3gbj h THR 343 CO -0.46 0.17 0.16 -0.07 0.37 0.00 0.00 175.52 175.69 3gbj h LEU 344 N 0.68 0.94 0.02 2.58 3.38 -0.60 -0.29 115.31 122.03 3gbj h LEU 344 Ca 0.18 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3gbj h LEU 344 Cb 0.01 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.51 3gbj h LEU 344 CO -0.03 0.92 -0.01 0.03 0.09 0.00 0.00 178.44 179.44 3gbj h ARG 345 N 0.92 -0.03 -0.89 1.13 3.08 -0.57 0.31 114.38 118.34 3gbj h ARG 345 Ca 0.20 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.35 3gbj h ARG 345 Cb 0.34 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.33 3gbj h ARG 345 CO 0.00 0.00 0.53 -0.92 -1.07 0.00 0.00 179.97 178.51 3gbj h TYR 346 N -0.05 0.97 0.00 3.04 3.20 -0.74 0.98 116.97 124.36 3gbj h TYR 346 Ca -0.00 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.76 3gbj h TYR 346 Cb 0.05 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 37.99 3gbj h TYR 346 CO -0.07 0.41 -0.67 0.00 -1.64 0.00 0.00 178.16 176.19 3gbj h ALA 347 N 1.47 0.87 -0.21 1.82 0.00 -0.75 -3.02 119.26 119.44 3gbj h ALA 347 Ca 0.42 -0.61 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 3gbj h ALA 347 Cb 0.36 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3gbj h ALA 347 CO -0.24 0.84 -0.54 0.22 0.00 0.00 0.00 179.25 179.53 3gbj h ASP 348 N 0.00 0.85 0.16 0.00 3.58 0.04 -3.08 116.42 117.98 3gbj h ASP 348 Ca -0.01 -0.57 0.00 0.00 0.42 0.00 0.00 57.03 56.87 3gbj h ASP 348 Cb 1.20 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 42.00 3gbj h ASP 348 CO 0.09 1.27 0.00 0.54 -2.88 0.00 0.00 179.24 178.25 3gbj n ARG 349 N -4.09 0.09 -0.46 0.28 1.74 0.24 -2.02 116.66 112.44 3gbj n ARG 349 Ca -0.06 0.52 0.05 0.00 -0.77 0.00 0.00 57.85 57.60 3gbj n ARG 349 Cb 0.62 -1.76 0.23 0.00 -1.02 0.00 0.00 32.46 30.54 3gbj n ARG 349 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gbj n ALA 350 N -1.66 3.11 -0.11 7.54 0.00 -1.16 -4.67 120.51 123.55 3gbj n ALA 350 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.37 3gbj n ALA 350 Cb 0.07 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.47 3gbj n ALA 350 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86