#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gbm h LEU 2 N 0.00 0.00 -1.10 0.99 3.38 -1.96 -0.91 115.31 115.71 3gbm h LEU 2 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gbm h LEU 2 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3gbm h LEU 2 CO 0.00 0.00 -0.26 0.49 0.09 0.00 0.00 178.44 178.76 3gbm n PHE 3 N -4.08 0.00 -1.07 1.13 3.01 -1.26 -4.99 117.46 110.20 3gbm n PHE 3 Ca 0.21 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.64 3gbm n PHE 3 Cb 1.09 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.55 3gbm n PHE 3 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gbm n GLY 4 N 1.14 0.57 0.25 1.37 0.00 -0.35 -4.89 105.19 103.29 3gbm n GLY 4 Ca 0.08 -0.38 -0.07 0.00 0.00 0.00 0.00 46.02 45.65 3gbm n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gbm n ALA 5 N 1.05 1.20 -2.20 4.61 0.00 -1.26 -2.08 120.51 121.83 3gbm n ALA 5 Ca -0.03 -0.64 -0.42 0.00 0.00 0.00 0.00 53.44 52.35 3gbm n ALA 5 Cb 0.15 0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.64 3gbm n ALA 5 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3gbm s ILE 6 N -2.61 3.63 -1.58 0.00 1.01 -1.26 -2.31 121.20 118.08 3gbm s ILE 6 Ca -0.22 1.04 -0.14 0.00 0.00 0.00 0.00 60.65 61.33 3gbm s ILE 6 Cb 0.03 -3.67 0.10 0.00 0.01 0.00 0.00 42.46 38.94 3gbm s ILE 6 CO 0.33 0.01 0.87 0.00 0.00 0.00 0.00 174.94 176.14 3gbm n ALA 7 N 5.25 -1.35 -2.06 9.38 0.00 -1.02 -4.38 120.51 126.33 3gbm n ALA 7 Ca 0.13 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3gbm n ALA 7 Cb 0.43 -3.83 0.00 0.00 0.00 0.00 0.00 19.45 16.05 3gbm n ALA 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gbm n GLY 8 N -1.60 2.99 0.20 0.00 0.00 -0.98 -4.71 105.19 101.10 3gbm n GLY 8 Ca 0.02 -0.36 0.06 0.00 0.00 0.00 0.00 46.02 45.75 3gbm n GLY 8 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3gbm h PHE 9 N 0.00 0.00 -3.09 1.61 -5.15 -1.47 -3.22 116.94 105.61 3gbm h PHE 9 Ca 0.00 0.00 -0.67 0.00 -0.20 0.00 0.00 57.97 57.10 3gbm h PHE 9 Cb 0.00 0.00 -0.17 0.00 0.22 0.00 0.00 35.95 36.00 3gbm h PHE 9 CO 0.00 0.34 0.22 0.42 -2.00 0.00 0.00 178.31 177.29 3gbm s ILE 10 N -3.67 4.70 -0.26 0.88 1.01 -1.05 -4.06 121.20 118.75 3gbm s ILE 10 Ca -0.00 -0.44 -0.19 0.00 0.00 0.00 0.00 60.65 60.02 3gbm s ILE 10 Cb 0.11 -4.43 -0.02 0.00 0.01 0.00 0.00 42.46 38.13 3gbm s ILE 10 CO 0.68 -1.01 0.59 -1.83 0.00 0.00 0.00 174.94 173.36 3gbm s GLU 11 N 3.07 4.07 0.52 2.79 -1.05 -1.22 -2.42 118.70 124.47 3gbm s GLU 11 Ca 0.18 0.44 0.00 0.00 -0.15 0.00 0.00 54.97 55.44 3gbm s GLU 11 Cb -0.19 -3.66 0.00 0.00 -0.44 0.00 0.00 34.13 29.84 3gbm s GLU 11 CO 0.12 -0.41 0.00 0.41 0.95 0.00 0.00 175.26 176.33 3gbm n GLY 12 N 4.27 -3.71 3.69 -3.83 0.00 -1.26 -4.94 105.19 99.41 3gbm n GLY 12 Ca -0.02 -0.97 -0.20 0.00 0.00 0.00 0.00 46.02 44.83 3gbm n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gbm n GLY 13 N -2.98 2.15 3.23 -0.02 0.00 -1.26 -4.87 105.19 101.43 3gbm n GLY 13 Ca -0.03 -2.24 -0.37 0.00 0.00 0.00 0.00 46.02 43.38 3gbm n GLY 13 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3gbm s TRP 14 N -2.46 3.32 0.59 1.61 0.51 -1.26 -4.94 118.94 116.31 3gbm s TRP 14 Ca 0.51 -1.67 0.30 0.00 -2.12 0.00 0.00 56.10 53.13 3gbm s TRP 14 Cb -0.04 -2.49 1.85 0.00 -0.81 0.00 0.00 33.47 31.98 3gbm s TRP 14 CO 0.33 -0.80 2.26 0.37 -0.51 0.00 0.00 176.95 178.60 3gbm h GLN 15 N 8.18 0.00 -0.53 4.98 5.75 -2.04 -2.86 115.11 128.59 3gbm h GLN 15 Ca -0.21 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.29 3gbm h GLN 15 Cb 1.07 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.62 3gbm h GLN 15 CO 0.63 0.00 0.00 0.41 -2.65 0.00 0.00 178.83 177.22 3gbm n GLY 16 N -1.31 1.78 3.13 2.39 0.00 -1.26 -4.58 105.19 105.33 3gbm n GLY 16 Ca -0.03 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 44.95 3gbm n GLY 16 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3gbm s MET 17 N -1.29 2.06 -0.02 1.61 -2.45 -1.08 -4.83 119.30 113.29 3gbm s MET 17 Ca 0.41 -1.77 0.21 0.00 -1.25 0.00 0.00 55.69 53.28 3gbm s MET 17 Cb 0.22 -3.58 -0.30 0.00 1.25 0.00 0.00 34.83 32.42 3gbm s MET 17 CO 0.30 -1.05 0.52 1.33 1.05 0.00 0.00 175.02 177.17 3gbm n VAL 18 N 4.62 0.00 -1.08 10.11 0.24 -1.26 -4.51 118.33 126.45 3gbm n VAL 18 Ca -0.03 -0.40 -0.09 0.00 -2.04 0.00 0.00 64.34 61.77 3gbm n VAL 18 Cb 0.41 0.18 0.29 0.00 -1.47 0.00 0.00 33.84 33.26 3gbm n VAL 18 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3gbm n ASP 19 N -2.10 4.70 0.00 -1.34 5.68 -1.26 -4.97 116.55 117.27 3gbm n ASP 19 Ca -0.03 -3.29 0.00 0.00 -0.50 0.00 0.00 54.79 50.97 3gbm n ASP 19 Cb 0.50 -0.77 0.00 0.00 -1.14 0.00 0.00 41.12 39.71 3gbm n ASP 19 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gbm n GLY 20 N -0.31 -0.49 0.08 6.12 0.00 -1.26 -4.83 105.19 104.50 3gbm n GLY 20 Ca 0.45 -1.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.39 3gbm n GLY 20 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3gbm n TRP 21 N -0.16 0.82 -4.11 1.61 8.01 -1.26 -4.95 117.44 117.39 3gbm n TRP 21 Ca 0.00 0.30 -0.15 0.00 -1.31 0.00 0.00 57.50 56.34 3gbm n TRP 21 Cb 0.00 -1.15 -0.11 0.00 -2.01 0.00 0.00 31.31 28.04 3gbm n TRP 21 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 3gbm s TYR 22 N -2.60 0.89 -0.50 -5.99 2.02 -1.26 -5.08 117.35 104.84 3gbm s TYR 22 Ca -0.06 -0.51 0.00 0.00 -0.37 0.00 0.00 57.07 56.13 3gbm s TYR 22 Cb 0.08 -0.51 0.00 0.00 -0.40 0.00 0.00 41.96 41.12 3gbm s TYR 22 CO 0.83 -0.03 0.00 0.41 -1.57 0.00 0.00 175.55 175.18 3gbm n GLY 23 N 1.28 -0.66 3.16 0.71 0.00 -1.26 -1.13 105.19 107.29 3gbm n GLY 23 Ca -0.21 -0.48 -0.19 0.00 0.00 0.00 0.00 46.02 45.14 3gbm n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gbm s TYR 24 N -3.48 1.20 -0.08 1.61 2.02 0.16 -4.86 117.35 113.92 3gbm s TYR 24 Ca 0.00 -0.43 0.04 0.00 -0.37 0.00 0.00 57.07 56.31 3gbm s TYR 24 Cb 0.00 -0.68 0.00 0.00 -0.40 0.00 0.00 41.96 40.88 3gbm s TYR 24 CO 0.00 0.05 -0.21 -1.58 -1.57 0.00 0.00 175.55 172.23 3gbm s HIS 25 N -1.15 2.27 0.25 2.71 5.65 -1.26 -1.08 115.29 122.68 3gbm s HIS 25 Ca -0.01 -0.87 0.09 0.00 0.25 0.00 0.00 55.06 54.52 3gbm s HIS 25 Cb -0.09 -1.53 -0.05 0.00 -1.18 0.00 0.00 32.58 29.72 3gbm s HIS 25 CO 0.02 -0.35 -0.16 -3.38 -0.65 0.00 0.00 174.74 170.22 3gbm s HIS 26 N 0.31 1.99 -0.22 3.88 -3.43 -0.29 -4.97 115.29 112.55 3gbm s HIS 26 Ca -0.15 -0.48 -0.06 0.00 -0.80 0.00 0.00 55.06 53.57 3gbm s HIS 26 Cb -0.17 -0.92 0.11 0.00 -1.43 0.00 0.00 32.58 30.17 3gbm s HIS 26 CO 0.07 0.51 0.45 0.45 -2.00 0.00 0.00 174.74 174.21 3gbm s SER 27 N -3.42 -0.32 0.32 7.38 0.15 -1.26 -1.93 113.70 114.63 3gbm s SER 27 Ca 0.27 0.89 -0.03 0.00 0.70 0.00 0.00 55.95 57.77 3gbm s SER 27 Cb -0.02 1.46 0.01 0.00 -1.71 0.00 0.00 66.02 65.76 3gbm s SER 27 CO 0.11 -0.25 0.48 -0.46 1.20 0.00 0.00 173.24 174.32 3gbm n ASN 28 N 5.39 -1.33 -0.30 5.45 0.23 0.16 -4.99 115.26 119.87 3gbm n ASN 28 Ca -0.07 -2.70 0.13 0.00 -0.53 0.00 0.00 54.58 51.41 3gbm n ASN 28 Cb 0.50 2.44 0.30 0.00 -2.08 0.00 0.00 39.78 40.94 3gbm n ASN 28 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3gbm h GLU 29 N 0.00 0.25 0.00 -3.83 4.81 -2.01 0.22 114.58 114.02 3gbm h GLU 29 Ca -0.25 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 3gbm h GLU 29 Cb 1.09 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.41 3gbm h GLU 29 CO 0.34 0.17 0.00 1.04 -0.73 0.00 0.00 179.01 179.83 3gbm n GLN 30 N -5.17 0.83 0.00 1.92 6.02 -1.26 -5.00 117.38 114.71 3gbm n GLN 30 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 3gbm n GLN 30 Cb 0.69 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 30.64 3gbm n GLN 30 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gbm n GLY 31 N 0.53 0.46 3.57 1.08 0.00 0.78 -5.10 105.19 106.51 3gbm n GLY 31 Ca 0.12 -2.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.04 3gbm n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gbm s SER 32 N -4.00 0.27 0.00 1.61 1.04 -1.26 0.35 113.70 111.71 3gbm s SER 32 Ca 0.00 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.27 3gbm s SER 32 Cb 0.00 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.76 3gbm s SER 32 CO 0.00 -1.25 0.00 0.61 0.98 0.00 0.00 173.24 173.58 3gbm n GLY 33 N -0.46 2.42 3.73 7.32 0.00 -0.81 -4.97 105.19 112.42 3gbm n GLY 33 Ca -0.01 -0.91 -0.27 0.00 0.00 0.00 0.00 46.02 44.83 3gbm n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gbm s TYR 34 N -2.00 3.00 -0.23 1.61 1.51 -1.26 -1.14 117.35 118.84 3gbm s TYR 34 Ca 0.00 -0.07 -0.12 0.00 -1.01 0.00 0.00 57.07 55.87 3gbm s TYR 34 Cb 0.00 -1.45 0.07 0.00 -0.11 0.00 0.00 41.96 40.48 3gbm s TYR 34 CO 0.00 0.52 0.54 0.00 -1.11 0.00 0.00 175.55 175.50 3gbm s ALA 35 N -1.73 -1.47 0.45 3.71 0.00 -0.24 -5.00 121.76 117.50 3gbm s ALA 35 Ca 0.29 1.96 -0.21 0.00 0.00 0.00 0.00 51.96 54.00 3gbm s ALA 35 Cb -0.10 -1.22 -0.09 0.00 0.00 0.00 0.00 23.12 21.71 3gbm s ALA 35 CO 0.21 -0.39 1.00 0.00 0.00 0.00 0.00 175.76 176.58 3gbm s ALA 36 N 1.69 2.96 -0.43 0.00 0.00 -1.26 0.40 121.76 125.12 3gbm s ALA 36 Ca -0.09 0.54 -0.21 0.00 0.00 0.00 0.00 51.96 52.20 3gbm s ALA 36 Cb -0.07 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.85 3gbm s ALA 36 CO -0.16 -0.13 0.65 0.34 0.00 0.00 0.00 175.76 176.46 3gbm s ASP 37 N -2.01 6.34 0.19 0.00 2.15 -0.28 -4.83 116.67 118.23 3gbm s ASP 37 Ca 0.64 -0.27 -0.08 0.00 0.43 0.00 0.00 52.55 53.27 3gbm s ASP 37 Cb -0.14 -2.32 0.09 0.00 -0.30 0.00 0.00 42.92 40.25 3gbm s ASP 37 CO 0.18 -0.77 1.65 0.07 -0.17 0.00 0.00 175.17 176.13 3gbm h LYS 38 N 8.84 1.06 -0.05 4.34 2.10 -1.94 -2.66 116.57 128.26 3gbm h LYS 38 Ca -0.25 -0.33 -0.05 0.00 -2.00 0.00 0.00 60.65 58.01 3gbm h LYS 38 Cb 1.10 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.33 3gbm h LYS 38 CO 0.89 1.03 -0.16 0.93 -2.00 0.00 0.00 179.45 180.14 3gbm h GLU 39 N 0.97 0.20 -0.22 0.07 5.08 -1.97 -0.43 114.58 118.27 3gbm h GLU 39 Ca 0.17 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3gbm h GLU 39 Cb 0.55 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3gbm h GLU 39 CO 0.03 0.77 0.12 0.66 -1.00 0.00 0.00 179.01 179.58 3gbm h SER 40 N -0.33 0.29 -0.98 1.42 4.64 -1.96 -1.27 113.55 115.36 3gbm h SER 40 Ca -0.01 -0.10 0.09 0.00 -0.47 0.00 0.00 61.79 61.30 3gbm h SER 40 Cb 0.78 -0.07 -0.07 0.00 -0.31 0.00 0.00 62.40 62.73 3gbm h SER 40 CO 0.03 0.31 0.63 0.74 -0.87 0.00 0.00 176.83 177.67 3gbm h THR 41 N 0.24 1.02 -0.45 2.95 2.02 -1.44 -1.49 112.91 115.76 3gbm h THR 41 Ca 0.08 -0.37 -0.11 0.00 0.77 0.00 0.00 66.41 66.79 3gbm h THR 41 Cb 0.09 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.34 3gbm h THR 41 CO -0.01 0.20 -0.13 -0.61 0.37 0.00 0.00 175.52 175.34 3gbm h GLN 42 N 1.07 0.89 -0.78 6.66 5.75 -0.54 -0.88 115.11 127.27 3gbm h GLN 42 Ca 0.45 -0.35 -0.01 0.00 -0.15 0.00 0.00 58.65 58.59 3gbm h GLN 42 Cb 0.31 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.77 3gbm h GLN 42 CO -0.20 0.99 0.45 0.87 -2.65 0.00 0.00 178.83 178.29 3gbm h LYS 43 N 0.72 1.08 -0.24 1.69 1.57 -0.70 0.92 116.57 121.60 3gbm h LYS 43 Ca 0.11 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gbm h LYS 43 Cb 0.68 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 3gbm h LYS 43 CO 0.05 0.78 0.15 0.00 -0.57 0.00 0.00 179.45 179.86 3gbm h ALA 44 N 1.24 0.31 -0.67 3.86 0.00 -1.08 -0.46 119.26 122.45 3gbm h ALA 44 Ca 0.28 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 3gbm h ALA 44 Cb -0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3gbm h ALA 44 CO -0.05 -0.20 0.21 0.82 0.00 0.00 0.00 179.25 180.03 3gbm h ILE 45 N 0.30 1.25 -0.85 0.00 2.04 -0.71 -0.80 117.51 118.75 3gbm h ILE 45 Ca 0.09 -0.88 0.07 0.00 1.00 0.00 0.00 64.86 65.14 3gbm h ILE 45 Cb 0.01 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 36.57 3gbm h ILE 45 CO -0.02 0.34 0.52 0.44 0.00 0.00 0.00 178.15 179.43 3gbm h ASP 46 N 0.98 0.80 0.13 1.72 3.32 -0.56 0.39 116.42 123.21 3gbm h ASP 46 Ca 0.22 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 3gbm h ASP 46 Cb 0.30 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3gbm h ASP 46 CO -0.01 0.50 -0.06 1.23 -1.72 0.00 0.00 179.24 179.18 3gbm h GLY 47 N 0.93 -0.18 1.46 2.75 0.00 -0.01 -1.17 103.07 106.84 3gbm h GLY 47 Ca 0.38 0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.68 3gbm h GLY 47 CO -0.19 -0.07 -0.22 -2.08 0.00 0.00 0.00 176.54 173.98 3gbm h VAL 48 N -0.55 1.27 0.04 4.60 2.07 -1.13 0.38 116.25 122.92 3gbm h VAL 48 Ca -0.02 -1.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.22 3gbm h VAL 48 Cb 0.43 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3gbm h VAL 48 CO 0.03 0.42 -0.02 0.74 0.02 0.00 0.00 177.57 178.76 3gbm h THR 49 N 0.56 1.19 -0.89 2.57 2.02 -0.88 -0.73 112.91 116.74 3gbm h THR 49 Ca 0.08 -0.72 0.10 0.00 0.77 0.00 0.00 66.41 66.64 3gbm h THR 49 Cb 0.68 1.66 -0.07 0.00 -1.74 0.00 0.00 68.15 68.68 3gbm h THR 49 CO 0.05 0.18 0.53 0.78 0.37 0.00 0.00 175.52 177.44 3gbm h ASN 50 N -0.37 0.79 -0.25 4.18 -0.26 -1.06 -1.18 115.58 117.43 3gbm h ASN 50 Ca -0.01 0.04 0.01 0.00 -0.56 0.00 0.00 56.30 55.78 3gbm h ASN 50 Cb 0.34 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.47 3gbm h ASN 50 CO 0.01 0.45 0.15 0.50 -1.06 0.00 0.00 177.43 177.48 3gbm h LYS 51 N 0.89 0.31 -0.42 0.81 3.64 -0.62 0.17 116.57 121.35 3gbm h LYS 51 Ca 0.43 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.72 3gbm h LYS 51 Cb 0.37 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 3gbm h LYS 51 CO -0.24 0.20 -0.03 0.28 -2.27 0.00 0.00 179.45 177.39 3gbm h VAL 52 N 0.32 1.23 -0.36 2.00 2.07 -0.80 -1.30 116.25 119.42 3gbm h VAL 52 Ca 0.09 -0.98 -0.12 0.00 0.82 0.00 0.00 66.70 66.51 3gbm h VAL 52 Cb -0.02 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3gbm h VAL 52 CO -0.03 0.34 -0.27 0.78 0.02 0.00 0.00 177.57 178.41 3gbm h ASN 53 N 0.65 0.76 -0.41 0.57 2.35 -0.59 -2.39 115.58 116.52 3gbm h ASN 53 Ca 0.13 -0.29 -0.09 0.00 -0.55 0.00 0.00 56.30 55.50 3gbm h ASN 53 Cb 0.45 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 3gbm h ASN 53 CO 0.02 0.99 -0.08 0.28 -1.65 0.00 0.00 177.43 176.99 3gbm h SER 54 N 0.63 0.79 -0.08 5.81 0.02 -0.14 -0.87 113.55 119.71 3gbm h SER 54 Ca 0.08 -0.35 0.02 0.00 -0.84 0.00 0.00 61.79 60.70 3gbm h SER 54 Cb 0.78 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 3gbm h SER 54 CO 0.06 0.96 -0.07 0.40 -1.14 0.00 0.00 176.83 177.04 3gbm h ILE 55 N 0.60 0.80 -0.43 3.27 2.04 -1.21 0.17 117.51 122.75 3gbm h ILE 55 Ca 0.11 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.02 3gbm h ILE 55 Cb 0.60 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 3gbm h ILE 55 CO 0.04 0.00 0.14 0.40 0.00 0.00 0.00 178.15 178.73 3gbm h ILE 56 N -0.08 0.85 -0.30 -0.67 2.04 -1.28 -1.97 117.51 116.11 3gbm h ILE 56 Ca 0.06 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 3gbm h ILE 56 Cb 0.16 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 3gbm h ILE 56 CO -0.13 0.05 0.06 -0.78 0.00 0.00 0.00 178.15 177.35 3gbm h ASP 57 N 0.30 0.47 0.55 1.72 3.58 -0.67 -2.76 116.42 119.61 3gbm h ASP 57 Ca 0.20 -0.25 -0.04 0.00 0.42 0.00 0.00 57.03 57.36 3gbm h ASP 57 Cb 0.21 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 3gbm h ASP 57 CO -0.22 0.60 -0.21 0.11 -2.88 0.00 0.00 179.24 176.64 3gbm h LYS 58 N 0.32 0.00 -0.71 0.28 1.79 -0.53 -1.73 116.57 115.99 3gbm h LYS 58 Ca 0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 3gbm h LYS 58 Cb 0.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 3gbm h LYS 58 CO 0.00 0.21 0.00 -1.33 -1.08 0.00 0.00 179.45 177.25 3gbm n MET 59 N -3.64 2.40 -0.05 3.15 2.81 -0.75 -4.39 117.12 116.65 3gbm n MET 59 Ca -0.01 -1.25 -0.14 0.00 -1.81 0.00 0.00 57.70 54.48 3gbm n MET 59 Cb 0.33 -1.68 -0.12 0.00 -0.71 0.00 0.00 33.22 31.04 3gbm n MET 59 CO 0.00 0.00 0.00 -0.97 1.51 0.00 0.00 175.97 176.51 3gbm h ASN 60 N 1.68 0.04 -3.16 7.83 -1.24 -1.25 -3.41 115.58 116.07 3gbm h ASN 60 Ca 0.00 -0.87 -0.58 0.00 0.71 0.00 0.00 56.30 55.56 3gbm h ASN 60 Cb 0.95 -0.01 -0.05 0.00 0.73 0.00 0.00 38.32 39.94 3gbm h ASN 60 CO 0.16 0.90 -0.13 0.42 -1.29 0.00 0.00 177.43 177.49 3gbm s THR 61 N -2.76 4.91 0.00 -3.57 -4.23 -1.26 -5.05 115.64 103.69 3gbm s THR 61 Ca -0.18 0.89 0.00 0.00 -1.18 0.00 0.00 61.69 61.22 3gbm s THR 61 Cb -0.01 -3.76 0.00 0.00 1.34 0.00 0.00 72.50 70.07 3gbm s THR 61 CO 0.70 0.45 0.00 1.67 -0.54 0.00 0.00 174.62 176.90 3gbm n GLN 62 N 1.41 0.00 -2.00 3.99 7.27 -1.26 -5.02 117.38 121.77 3gbm n GLN 62 Ca -0.10 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.57 3gbm n GLN 62 Cb 0.52 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 33.16 3gbm n GLN 62 CO 0.00 0.00 0.00 0.12 0.07 0.00 0.00 177.06 177.25 3gbm s PHE 63 N -2.00 2.80 -0.26 3.69 5.36 -1.26 -4.98 117.98 121.32 3gbm s PHE 63 Ca 0.00 1.35 0.00 0.00 -0.96 0.00 0.00 56.93 57.32 3gbm s PHE 63 Cb 0.00 -3.76 0.08 0.00 -0.34 0.00 0.00 43.02 38.99 3gbm s PHE 63 CO 0.00 -2.28 0.02 -1.21 -1.46 0.00 0.00 175.22 170.29 3gbm s GLU 64 N -2.12 1.19 0.62 10.12 2.02 -1.26 -4.99 118.70 124.29 3gbm s GLU 64 Ca 0.54 -1.04 -0.19 0.00 0.02 0.00 0.00 54.97 54.31 3gbm s GLU 64 Cb -0.41 -2.42 -0.02 0.00 0.10 0.00 0.00 34.13 31.38 3gbm s GLU 64 CO 0.53 -0.76 1.30 0.00 0.02 0.00 0.00 175.26 176.35 3gbm s ALA 65 N 1.47 2.48 0.02 5.21 0.00 -1.26 -5.05 121.76 124.62 3gbm s ALA 65 Ca 0.02 1.22 0.03 0.00 0.00 0.00 0.00 51.96 53.22 3gbm s ALA 65 Cb -0.18 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.38 3gbm s ALA 65 CO -0.12 -1.51 -0.09 0.08 0.00 0.00 0.00 175.76 174.12 3gbm s VAL 66 N -1.40 0.72 -0.03 0.00 1.01 -1.26 -5.14 120.40 114.30 3gbm s VAL 66 Ca 0.80 -0.67 -0.28 0.00 0.00 0.00 0.00 61.98 61.83 3gbm s VAL 66 Cb -0.37 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 3gbm s VAL 66 CO 0.40 0.00 0.89 -0.83 0.00 0.00 0.00 175.10 175.56 3gbm s GLY 67 N -0.74 2.77 -0.00 4.51 0.00 -1.26 -5.06 107.32 107.53 3gbm s GLY 67 Ca -0.00 0.39 0.04 0.00 0.00 0.00 0.00 44.72 45.14 3gbm s GLY 67 CO 0.00 1.53 -0.13 0.50 0.00 0.00 0.00 173.10 175.01 3gbm s ARG 68 N 1.02 1.01 0.13 2.90 0.52 -1.26 -5.15 118.95 118.12 3gbm s ARG 68 Ca 0.47 -0.48 0.03 0.00 -0.52 0.00 0.00 55.73 55.23 3gbm s ARG 68 Cb -0.20 -0.98 -0.04 0.00 0.52 0.00 0.00 34.95 34.26 3gbm s ARG 68 CO 0.24 0.26 0.17 -1.21 0.02 0.00 0.00 175.30 174.79 3gbm s GLU 69 N -0.39 3.10 -0.03 3.54 2.02 -1.26 -5.11 118.70 120.57 3gbm s GLU 69 Ca 0.04 -0.72 -0.06 0.00 0.02 0.00 0.00 54.97 54.25 3gbm s GLU 69 Cb -0.05 -2.79 0.01 0.00 0.10 0.00 0.00 34.13 31.40 3gbm s GLU 69 CO -0.00 0.52 0.15 -0.06 0.02 0.00 0.00 175.26 175.89 3gbm s PHE 70 N -1.66 -0.06 0.86 1.61 0.40 -1.26 -5.10 117.98 112.79 3gbm s PHE 70 Ca 0.32 0.12 -0.09 0.00 -0.60 0.00 0.00 56.93 56.68 3gbm s PHE 70 Cb -0.11 -0.00 0.18 0.00 0.51 0.00 0.00 43.02 43.59 3gbm s PHE 70 CO 0.25 -0.19 1.19 0.54 0.70 0.00 0.00 175.22 177.70 3gbm s ASN 71 N -0.72 3.59 0.00 1.36 2.20 -1.26 -4.94 114.94 115.18 3gbm s ASN 71 Ca -0.08 -0.06 0.11 0.00 -0.94 0.00 0.00 52.86 51.88 3gbm s ASN 71 Cb -0.05 -0.09 0.47 0.00 -2.00 0.00 0.00 41.25 39.58 3gbm s ASN 71 CO 0.01 -2.39 1.34 -3.20 -2.94 0.00 0.00 177.10 169.92 3gbm n ASN 72 N -3.37 0.00 -0.58 3.54 4.05 -1.26 -1.90 115.26 115.74 3gbm n ASN 72 Ca 0.16 0.48 0.05 0.00 0.45 0.00 0.00 54.58 55.72 3gbm n ASN 72 Cb 0.60 -0.49 0.19 0.00 1.23 0.00 0.00 39.78 41.31 3gbm n ASN 72 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3gbm n LEU 73 N -1.49 2.96 -2.36 1.20 4.77 -1.26 -4.52 117.00 116.30 3gbm n LEU 73 Ca 0.03 -3.59 -0.19 0.00 -0.03 0.00 0.00 56.01 52.23 3gbm n LEU 73 Cb 0.12 -0.52 0.02 0.00 -2.33 0.00 0.00 43.42 40.71 3gbm n LEU 73 CO 0.10 1.13 0.11 -0.62 -1.33 0.00 0.00 177.39 176.78 3gbm n GLU 74 N -1.16 2.95 0.07 3.23 1.02 -0.80 -4.84 120.64 121.11 3gbm n GLU 74 Ca 0.21 -4.03 -0.11 0.00 -0.02 0.00 0.00 57.16 53.20 3gbm n GLU 74 Cb 0.76 -2.03 -0.02 0.00 -0.02 0.00 0.00 31.44 30.12 3gbm n GLU 74 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gbm h ARG 75 N 2.45 0.37 -0.57 3.49 2.47 -1.80 -2.21 114.38 118.58 3gbm h ARG 75 Ca 0.21 -0.37 -0.07 0.00 -1.26 0.00 0.00 59.98 58.48 3gbm h ARG 75 Cb 1.30 0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 29.69 3gbm h ARG 75 CO 0.64 1.04 0.07 0.00 0.56 0.00 0.00 179.97 182.28 3gbm h ARG 76 N 0.22 0.96 0.00 0.04 3.08 -1.96 -0.62 114.38 116.10 3gbm h ARG 76 Ca -0.06 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.70 3gbm h ARG 76 Cb 1.48 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.43 3gbm h ARG 76 CO 0.15 0.93 -0.10 -0.84 -1.07 0.00 0.00 179.97 179.03 3gbm h ILE 77 N 0.85 0.19 -0.22 2.04 3.07 -1.95 -1.67 117.51 119.83 3gbm h ILE 77 Ca 0.17 -1.12 -0.21 0.00 1.55 0.00 0.00 64.86 65.25 3gbm h ILE 77 Cb 0.45 1.96 0.01 0.00 -0.27 0.00 0.00 36.82 38.96 3gbm h ILE 77 CO 0.02 0.10 -0.68 -0.08 -1.05 0.00 0.00 178.15 176.46 3gbm h GLU 78 N 0.00 0.84 -0.32 0.16 4.81 -0.93 -0.12 114.58 119.02 3gbm h GLU 78 Ca -0.00 -0.61 -0.05 0.00 -0.13 0.00 0.00 59.36 58.56 3gbm h GLU 78 Cb 0.95 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 3gbm h GLU 78 CO 0.01 1.23 -0.01 -0.97 -0.73 0.00 0.00 179.01 178.55 3gbm h ASN 79 N 0.61 0.56 -0.81 1.04 -1.24 -1.09 -0.44 115.58 114.20 3gbm h ASN 79 Ca -0.02 -0.32 0.00 0.00 0.71 0.00 0.00 56.30 56.67 3gbm h ASN 79 Cb 1.30 -0.15 -0.04 0.00 0.73 0.00 0.00 38.32 40.16 3gbm h ASN 79 CO 0.14 0.74 0.52 0.25 -1.29 0.00 0.00 177.43 177.80 3gbm h LEU 80 N 0.36 0.94 -0.42 0.34 5.85 -1.25 -0.91 115.31 120.23 3gbm h LEU 80 Ca 0.09 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 3gbm h LEU 80 Cb 0.46 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3gbm h LEU 80 CO 0.02 0.70 0.01 -1.13 -0.34 0.00 0.00 178.44 177.70 3gbm h ASN 81 N 1.11 0.71 -0.03 1.25 -0.00 -0.76 -1.43 115.58 116.43 3gbm h ASN 81 Ca 0.30 -0.30 -0.00 0.00 -0.00 0.00 0.00 56.30 56.30 3gbm h ASN 81 Cb -0.11 -0.19 -0.00 0.00 -0.00 0.00 0.00 38.32 38.02 3gbm h ASN 81 CO -0.06 0.83 0.02 0.50 -0.00 0.00 0.00 177.43 178.72 3gbm h LYS 82 N 0.56 0.04 -0.40 6.67 1.63 -0.77 -2.14 116.57 122.17 3gbm h LYS 82 Ca 0.12 -0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.81 3gbm h LYS 82 Cb 0.46 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.07 3gbm h LYS 82 CO 0.02 0.11 -0.17 0.87 -3.45 0.00 0.00 179.45 176.83 3gbm h LYS 83 N -0.03 0.75 0.22 1.90 1.79 -1.16 0.23 116.57 120.27 3gbm h LYS 83 Ca 0.01 -0.27 -0.01 0.00 -2.18 0.00 0.00 60.65 58.20 3gbm h LYS 83 Cb 0.08 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 3gbm h LYS 83 CO -0.00 0.87 -0.11 1.98 -1.08 0.00 0.00 179.45 181.12 3gbm h MET 84 N 0.67 -0.28 -0.46 3.15 4.05 -1.20 0.26 114.93 121.11 3gbm h MET 84 Ca 0.10 0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.50 3gbm h MET 84 Cb 0.65 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.50 3gbm h MET 84 CO 0.05 -0.16 0.11 0.93 0.23 0.00 0.00 176.91 178.07 3gbm h GLU 85 N -0.33 0.74 -0.29 0.39 5.08 -1.00 -1.61 114.58 117.57 3gbm h GLU 85 Ca -0.03 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3gbm h GLU 85 Cb 0.25 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3gbm h GLU 85 CO 0.05 0.73 0.16 -0.44 -1.00 0.00 0.00 179.01 178.51 3gbm h ASP 86 N 0.62 0.34 -0.83 1.42 3.32 -0.52 -2.47 116.42 118.30 3gbm h ASP 86 Ca 0.15 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 3gbm h ASP 86 Cb 0.32 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.75 3gbm h ASP 86 CO 0.00 0.28 0.37 1.23 -1.72 0.00 0.00 179.24 179.41 3gbm h GLY 87 N 0.46 1.30 1.06 2.75 0.00 0.47 -1.82 103.07 107.30 3gbm h GLY 87 Ca 0.10 -0.67 -0.22 0.00 0.00 0.00 0.00 47.33 46.54 3gbm h GLY 87 CO -0.02 0.64 -0.83 0.74 0.00 0.00 0.00 176.54 177.07 3gbm h PHE 88 N 1.20 0.91 -0.71 5.60 0.05 -1.23 -2.17 116.94 120.58 3gbm h PHE 88 Ca 0.28 -0.47 0.13 0.00 3.82 0.00 0.00 57.97 61.74 3gbm h PHE 88 Cb 0.16 -0.12 -0.05 0.00 2.00 0.00 0.00 35.95 37.95 3gbm h PHE 88 CO 0.02 1.29 0.48 -0.07 -0.18 0.00 0.00 178.31 179.85 3gbm h LEU 89 N 0.27 0.40 -0.10 1.54 3.38 -1.21 0.10 115.31 119.69 3gbm h LEU 89 Ca -0.09 0.02 -0.24 0.00 0.09 0.00 0.00 57.88 57.65 3gbm h LEU 89 Cb 1.49 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 42.19 3gbm h LEU 89 CO 0.17 0.22 -0.91 0.44 0.09 0.00 0.00 178.44 178.44 3gbm h ASP 90 N 0.43 0.88 -0.24 -0.43 3.32 -1.17 -0.78 116.42 118.44 3gbm h ASP 90 Ca 0.34 -0.64 -0.02 0.00 0.02 0.00 0.00 57.03 56.73 3gbm h ASP 90 Cb 0.73 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 3gbm h ASP 90 CO -0.11 1.44 0.07 0.58 -1.72 0.00 0.00 179.24 179.50 3gbm h VAL 91 N 0.44 1.20 -0.32 -1.35 2.07 -0.65 -1.99 116.25 115.66 3gbm h VAL 91 Ca -0.09 -0.65 -0.14 0.00 0.82 0.00 0.00 66.70 66.64 3gbm h VAL 91 Cb 1.55 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 3gbm h VAL 91 CO 0.18 0.21 -0.38 -0.50 0.02 0.00 0.00 177.57 177.09 3gbm h TRP 92 N 0.22 0.89 -0.52 1.57 4.06 -0.80 -1.14 115.95 120.24 3gbm h TRP 92 Ca 0.08 -0.26 -0.01 0.00 2.06 0.00 0.00 58.89 60.76 3gbm h TRP 92 Cb 0.26 -0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 28.20 3gbm h TRP 92 CO 0.01 1.02 0.30 1.15 -3.56 0.00 0.00 178.44 177.36 3gbm h THR 93 N 0.62 1.16 -0.22 1.49 2.02 -1.07 -0.73 112.91 116.18 3gbm h THR 93 Ca 0.05 -0.39 0.02 0.00 0.77 0.00 0.00 66.41 66.87 3gbm h THR 93 Cb 0.93 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 3gbm h THR 93 CO 0.09 0.17 0.07 0.22 0.37 0.00 0.00 175.52 176.44 3gbm h TYR 94 N 0.69 0.13 -0.49 3.16 3.20 -1.19 -0.57 116.97 121.90 3gbm h TYR 94 Ca 0.18 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.10 3gbm h TYR 94 Cb 0.01 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.21 3gbm h TYR 94 CO -0.02 0.06 0.26 -0.91 -1.64 0.00 0.00 178.16 175.90 3gbm h ASN 95 N 0.17 0.38 -0.40 -2.11 2.35 -0.59 0.80 115.58 116.18 3gbm h ASN 95 Ca 0.10 0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.78 3gbm h ASN 95 Cb 0.07 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 3gbm h ASN 95 CO -0.10 0.27 -0.09 0.00 -1.65 0.00 0.00 177.43 175.85 3gbm h ALA 96 N 1.25 0.55 -0.24 -0.83 0.00 -1.02 -1.29 119.26 117.68 3gbm h ALA 96 Ca 0.21 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3gbm h ALA 96 Cb 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3gbm h ALA 96 CO -0.14 0.41 -0.11 0.93 0.00 0.00 0.00 179.25 180.35 3gbm h GLU 97 N 0.58 0.49 -0.28 0.00 5.08 -0.77 -1.77 114.58 117.91 3gbm h GLU 97 Ca 0.10 -0.22 -0.13 0.00 -1.00 0.00 0.00 59.36 58.12 3gbm h GLU 97 Cb 0.61 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 3gbm h GLU 97 CO 0.04 0.76 -0.36 1.25 -1.00 0.00 0.00 179.01 179.70 3gbm h LEU 98 N 0.21 0.66 -0.44 1.33 5.85 -0.85 0.20 115.31 122.27 3gbm h LEU 98 Ca 0.05 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 3gbm h LEU 98 Cb 0.61 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 3gbm h LEU 98 CO 0.03 0.96 0.18 0.25 -0.34 0.00 0.00 178.44 179.52 3gbm h LEU 99 N 0.53 0.61 0.03 2.25 5.85 -1.22 0.41 115.31 123.77 3gbm h LEU 99 Ca 0.05 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 3gbm h LEU 99 Cb 0.87 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.74 3gbm h LEU 99 CO 0.08 0.61 -0.01 0.58 -0.34 0.00 0.00 178.44 179.36 3gbm h VAL 100 N 0.57 1.04 -0.85 1.05 2.07 -0.97 0.46 116.25 119.62 3gbm h VAL 100 Ca 0.15 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3gbm h VAL 100 Cb 0.20 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 3gbm h VAL 100 CO -0.01 0.05 0.49 -0.07 0.02 0.00 0.00 177.57 178.06 3gbm h LEU 101 N -0.13 1.03 -0.17 2.57 3.38 -0.88 -0.57 115.31 120.55 3gbm h LEU 101 Ca -0.00 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 3gbm h LEU 101 Cb 0.12 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3gbm h LEU 101 CO 0.01 0.81 -0.26 0.24 0.09 0.00 0.00 178.44 179.33 3gbm h MET 102 N 1.17 0.47 0.00 1.13 2.86 -0.64 -3.04 114.93 116.88 3gbm h MET 102 Ca 0.30 -0.28 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 3gbm h MET 102 Cb -0.02 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 3gbm h MET 102 CO -0.05 0.88 -0.29 0.93 1.06 0.00 0.00 176.91 179.44 3gbm h GLU 103 N 0.11 0.00 -0.43 1.72 4.39 -0.80 -2.89 114.58 116.67 3gbm h GLU 103 Ca 0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 3gbm h GLU 103 Cb 0.84 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.47 3gbm h GLU 103 CO 0.06 0.29 0.22 -0.91 -1.16 0.00 0.00 179.01 177.50 3gbm h ASN 104 N 0.00 0.56 -0.66 1.42 2.35 -0.99 -0.13 115.58 118.13 3gbm h ASN 104 Ca -0.00 -0.11 0.04 0.00 -0.55 0.00 0.00 56.30 55.67 3gbm h ASN 104 Cb 0.58 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.76 3gbm h ASN 104 CO 0.04 0.51 0.39 -0.08 -1.65 0.00 0.00 177.43 176.64 3gbm h GLU 105 N 0.56 0.74 -0.26 0.81 4.81 -1.43 -0.56 114.58 119.24 3gbm h GLU 105 Ca 0.15 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 3gbm h GLU 105 Cb 0.10 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3gbm h GLU 105 CO -0.02 0.49 0.05 0.00 -0.73 0.00 0.00 179.01 178.80 3gbm h ARG 106 N 0.76 0.43 -0.24 1.92 3.08 -1.29 -0.23 114.38 118.81 3gbm h ARG 106 Ca 0.27 -0.11 0.04 0.00 0.07 0.00 0.00 59.98 60.25 3gbm h ARG 106 Cb 0.07 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 3gbm h ARG 106 CO -0.13 0.55 -0.02 1.15 -1.07 0.00 0.00 179.97 180.45 3gbm h THR 107 N 0.25 0.80 -0.78 2.04 2.02 -0.76 0.54 112.91 117.03 3gbm h THR 107 Ca 0.08 -0.02 -0.04 0.00 0.77 0.00 0.00 66.41 67.20 3gbm h THR 107 Cb 0.32 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 3gbm h THR 107 CO 0.00 0.01 0.32 -0.07 0.37 0.00 0.00 175.52 176.16 3gbm h LEU 108 N 0.05 1.05 -0.64 2.58 3.38 -0.98 -2.31 115.31 118.45 3gbm h LEU 108 Ca 0.12 -0.15 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 3gbm h LEU 108 Cb 0.16 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3gbm h LEU 108 CO -0.21 0.92 -0.54 0.44 0.09 0.00 0.00 178.44 179.14 3gbm h ASP 109 N 1.12 0.42 -0.27 -0.43 3.45 -0.52 -2.82 116.42 117.37 3gbm h ASP 109 Ca 0.26 -0.22 0.06 0.00 0.43 0.00 0.00 57.03 57.56 3gbm h ASP 109 Cb 0.19 -0.12 -0.07 0.00 -0.56 0.00 0.00 39.33 38.77 3gbm h ASP 109 CO -0.02 0.89 -0.17 0.15 -1.57 0.00 0.00 179.24 178.52 3gbm h PHE 110 N 0.30 -0.42 -0.54 4.55 3.57 0.33 -0.33 116.94 124.40 3gbm h PHE 110 Ca 0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 3gbm h PHE 110 Cb 1.05 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.99 3gbm h PHE 110 CO 0.03 -0.24 0.28 0.45 -2.23 0.00 0.00 178.31 176.60 3gbm h HIS 111 N -0.14 0.75 -0.50 0.41 3.86 -1.36 0.01 115.15 118.19 3gbm h HIS 111 Ca 0.15 -0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.39 3gbm h HIS 111 Cb 0.36 -0.24 -0.05 0.00 1.06 0.00 0.00 27.41 28.54 3gbm h HIS 111 CO -0.35 0.56 0.20 0.22 0.86 0.00 0.00 177.93 179.42 3gbm h ASP 112 N 0.72 0.23 -0.89 2.45 -0.00 -1.30 -0.55 116.42 117.08 3gbm h ASP 112 Ca 0.19 0.05 -0.01 0.00 -0.00 0.00 0.00 57.03 57.25 3gbm h ASP 112 Cb 0.07 0.02 -0.04 0.00 -0.00 0.00 0.00 39.33 39.38 3gbm h ASP 112 CO -0.03 0.16 0.50 -1.28 -0.00 0.00 0.00 179.24 178.59 3gbm h SER 113 N 0.39 1.10 -0.78 2.28 0.87 -0.36 -1.69 113.55 115.36 3gbm h SER 113 Ca 0.23 -0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.66 3gbm h SER 113 Cb 0.22 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 3gbm h SER 113 CO -0.22 0.88 0.31 0.78 -0.53 0.00 0.00 176.83 178.05 3gbm h ASN 114 N 1.24 1.08 -0.22 6.23 2.35 0.41 -0.02 115.58 126.66 3gbm h ASN 114 Ca 0.32 -0.17 -0.09 0.00 -0.55 0.00 0.00 56.30 55.81 3gbm h ASN 114 Cb 0.01 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.10 3gbm h ASN 114 CO -0.05 0.96 -0.20 0.58 -1.65 0.00 0.00 177.43 177.06 3gbm h VAL 115 N 1.14 1.32 -0.58 2.81 2.07 -0.72 -2.23 116.25 120.07 3gbm h VAL 115 Ca 0.26 -1.36 0.10 0.00 0.82 0.00 0.00 66.70 66.53 3gbm h VAL 115 Cb 0.21 1.72 -0.08 0.00 -1.52 0.00 0.00 31.29 31.63 3gbm h VAL 115 CO -0.02 0.42 0.15 0.50 0.02 0.00 0.00 177.57 178.63 3gbm h LYS 116 N 0.20 0.28 -0.52 1.57 3.64 -1.10 -1.23 116.57 119.41 3gbm h LYS 116 Ca 0.04 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 3gbm h LYS 116 Cb 0.74 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 3gbm h LYS 116 CO 0.05 0.19 0.00 -0.91 -2.27 0.00 0.00 179.45 176.51 3gbm h ASN 117 N 0.29 0.84 -0.39 4.20 -0.26 -0.88 -0.51 115.58 118.88 3gbm h ASN 117 Ca 0.30 -0.21 -0.06 0.00 -0.56 0.00 0.00 56.30 55.77 3gbm h ASN 117 Cb 0.42 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.44 3gbm h ASN 117 CO -0.36 0.90 0.02 0.25 -1.06 0.00 0.00 177.43 177.19 3gbm h LEU 118 N 0.81 0.65 -0.10 1.61 5.85 -1.18 0.48 115.31 123.44 3gbm h LEU 118 Ca 0.15 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.61 3gbm h LEU 118 Cb 0.48 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 3gbm h LEU 118 CO 0.02 0.78 -0.07 0.22 -0.34 0.00 0.00 178.44 179.05 3gbm h TYR 119 N 0.50 -0.18 -0.03 1.25 3.20 -0.89 -1.05 116.97 119.78 3gbm h TYR 119 Ca 0.11 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.00 3gbm h TYR 119 Cb 0.43 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.80 3gbm h TYR 119 CO 0.03 -0.12 0.03 -0.44 -1.64 0.00 0.00 178.16 176.02 3gbm h ASP 120 N -0.08 0.00 -0.35 -2.11 3.32 -0.96 0.10 116.42 116.34 3gbm h ASP 120 Ca 0.07 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.01 3gbm h ASP 120 Cb 0.18 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3gbm h ASP 120 CO -0.15 0.00 -0.19 0.50 -1.72 0.00 0.00 179.24 177.67 3gbm h LYS 121 N 0.00 0.76 -0.14 3.56 3.64 0.39 -2.08 116.57 122.70 3gbm h LYS 121 Ca 0.01 -0.34 -0.11 0.00 -1.27 0.00 0.00 60.65 58.94 3gbm h LYS 121 Cb 0.06 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3gbm h LYS 121 CO -0.00 0.96 -0.35 0.28 -2.27 0.00 0.00 179.45 178.06 3gbm h VAL 122 N 0.54 1.36 -0.40 2.00 2.07 -0.86 -2.74 116.25 118.22 3gbm h VAL 122 Ca 0.08 -1.64 0.08 0.00 0.82 0.00 0.00 66.70 66.04 3gbm h VAL 122 Cb 0.74 2.05 -0.08 0.00 -1.52 0.00 0.00 31.29 32.49 3gbm h VAL 122 CO 0.06 0.49 -0.09 -0.09 0.02 0.00 0.00 177.57 177.95 3gbm h ARG 123 N 0.09 0.01 0.00 1.57 2.43 -0.67 -1.79 114.38 116.01 3gbm h ARG 123 Ca -0.01 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3gbm h ARG 123 Cb 0.96 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 3gbm h ARG 123 CO 0.08 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.82 3gbm n LEU 124 N -5.30 0.54 0.12 3.80 4.77 -0.80 -0.75 117.00 119.40 3gbm n LEU 124 Ca 0.02 0.55 -0.09 0.00 -0.03 0.00 0.00 56.01 56.47 3gbm n LEU 124 Cb 0.22 -0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 40.87 3gbm n LEU 124 CO 0.15 -0.13 0.26 1.56 -1.33 0.00 0.00 177.39 177.90 3gbm h GLN 125 N 0.00 -0.38 -0.58 3.23 4.20 -1.03 -3.38 115.11 117.16 3gbm h GLN 125 Ca 0.00 0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 3gbm h GLN 125 Cb 0.65 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 3gbm h GLN 125 CO 0.00 -0.13 -0.04 -0.07 -0.67 0.00 0.00 178.83 177.91 3gbm h LEU 126 N -1.04 1.05 0.00 1.46 3.38 -1.34 -3.44 115.31 115.38 3gbm h LEU 126 Ca -0.04 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3gbm h LEU 126 Cb 0.42 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3gbm h LEU 126 CO 0.07 1.12 0.00 0.54 0.09 0.00 0.00 178.44 180.26 3gbm n ARG 127 N -4.17 0.00 -0.17 1.13 1.74 0.07 -1.49 116.66 113.77 3gbm n ARG 127 Ca 0.02 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.13 3gbm n ARG 127 Cb 0.37 0.00 0.11 0.00 -1.02 0.00 0.00 32.46 31.92 3gbm n ARG 127 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3gbm n ASP 128 N 2.26 1.66 -0.03 0.55 5.75 -1.26 -2.81 116.55 122.68 3gbm n ASP 128 Ca 0.00 -2.10 0.14 0.00 -0.01 0.00 0.00 54.79 52.82 3gbm n ASP 128 Cb 0.00 -0.30 0.59 0.00 -1.03 0.00 0.00 41.12 40.38 3gbm n ASP 128 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3gbm n ASN 129 N 0.18 0.19 -4.06 -1.12 4.13 -0.56 -4.86 115.26 109.17 3gbm n ASN 129 Ca 0.08 -0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.26 3gbm n ASN 129 Cb 0.32 -0.24 -0.09 0.00 -1.54 0.00 0.00 39.78 38.23 3gbm n ASN 129 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gbm s ALA 130 N -2.79 0.43 -0.15 5.41 0.00 -1.12 -1.28 121.76 122.26 3gbm s ALA 130 Ca 0.20 -1.15 -0.02 0.00 0.00 0.00 0.00 51.96 50.99 3gbm s ALA 130 Cb 0.19 0.47 -0.02 0.00 0.00 0.00 0.00 23.12 23.76 3gbm s ALA 130 CO 0.53 -0.43 -0.09 0.21 0.00 0.00 0.00 175.76 175.98 3gbm s LYS 131 N -3.94 3.47 -0.11 0.00 2.20 -0.44 -4.82 119.74 116.10 3gbm s LYS 131 Ca 0.11 -0.63 -0.30 0.00 -0.36 0.00 0.00 55.97 54.80 3gbm s LYS 131 Cb 0.07 -2.79 -0.02 0.00 -1.51 0.00 0.00 37.83 33.59 3gbm s LYS 131 CO -0.07 0.14 1.09 -2.00 -0.36 0.00 0.00 175.35 174.16 3gbm s GLU 132 N 0.57 4.36 -0.06 4.03 2.12 -1.26 -1.23 118.70 127.23 3gbm s GLU 132 Ca -0.06 1.50 0.20 0.00 0.36 0.00 0.00 54.97 56.97 3gbm s GLU 132 Cb -0.15 -3.58 -0.26 0.00 0.26 0.00 0.00 34.13 30.40 3gbm s GLU 132 CO 0.03 -0.43 0.42 1.28 -0.54 0.00 0.00 175.26 176.03 3gbm n LEU 133 N 5.35 0.18 0.00 2.70 4.77 -0.37 -4.98 117.00 124.65 3gbm n LEU 133 Ca 0.10 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 3gbm n LEU 133 Cb 0.47 0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 3gbm n LEU 133 CO 0.53 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 3gbm n GLY 134 N 1.44 0.85 0.05 -0.72 0.00 -1.26 -4.93 105.19 100.62 3gbm n GLY 134 Ca -0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.91 3gbm n GLY 134 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3gbm n ASN 135 N 0.00 2.18 0.00 1.61 0.23 -1.26 -4.83 115.26 113.19 3gbm n ASN 135 Ca 0.00 -2.42 0.00 0.00 -0.53 0.00 0.00 54.58 51.63 3gbm n ASN 135 Cb 0.00 -0.17 0.00 0.00 -2.08 0.00 0.00 39.78 37.53 3gbm n ASN 135 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gbm n GLY 136 N -0.83 0.50 3.58 4.83 0.00 -1.26 -4.47 105.19 107.55 3gbm n GLY 136 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 3gbm n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gbm s PHE 138 N -1.65 2.60 -0.24 0.00 0.40 -1.26 -1.24 117.98 116.59 3gbm s PHE 138 Ca 0.25 -0.47 -0.05 0.00 -0.60 0.00 0.00 56.93 56.06 3gbm s PHE 138 Cb -0.09 -1.65 -0.01 0.00 0.51 0.00 0.00 43.02 41.78 3gbm s PHE 138 CO 0.15 -0.05 0.01 -2.00 0.70 0.00 0.00 175.22 174.03 3gbm s GLU 139 N -0.32 3.45 0.49 0.44 2.12 -0.37 -4.90 118.70 119.61 3gbm s GLU 139 Ca 0.02 -0.59 -0.22 0.00 0.36 0.00 0.00 54.97 54.54 3gbm s GLU 139 Cb -0.13 -3.15 -0.07 0.00 0.26 0.00 0.00 34.13 31.04 3gbm s GLU 139 CO 0.02 -0.21 1.15 -0.06 -0.54 0.00 0.00 175.26 175.62 3gbm s PHE 140 N 1.53 2.82 -2.15 5.30 0.40 -1.26 -1.33 117.98 123.28 3gbm s PHE 140 Ca 0.06 1.54 0.28 0.00 -0.60 0.00 0.00 56.93 58.21 3gbm s PHE 140 Cb -0.15 -3.34 1.04 0.00 0.51 0.00 0.00 43.02 41.08 3gbm s PHE 140 CO -0.00 -1.50 1.74 0.66 0.70 0.00 0.00 175.22 176.81 3gbm n TYR 141 N -0.75 0.00 -4.31 0.36 0.53 -0.40 -4.90 117.16 107.69 3gbm n TYR 141 Ca 0.09 0.00 -0.16 0.00 -1.02 0.00 0.00 57.90 56.81 3gbm n TYR 141 Cb 0.49 -0.06 -0.10 0.00 -1.03 0.00 0.00 39.34 38.64 3gbm n TYR 141 CO 0.00 0.00 0.00 -3.38 -1.02 0.00 0.00 176.86 172.46 3gbm s HIS 142 N -2.20 1.48 0.11 -0.72 -3.43 -1.26 -4.41 115.29 104.85 3gbm s HIS 142 Ca 0.34 -1.10 -0.30 0.00 -0.80 0.00 0.00 55.06 53.19 3gbm s HIS 142 Cb 0.20 -0.87 -0.07 0.00 -1.43 0.00 0.00 32.58 30.42 3gbm s HIS 142 CO 0.41 -0.25 1.22 0.21 -2.00 0.00 0.00 174.74 174.32 3gbm s LYS 143 N -3.98 4.44 -0.31 -0.38 2.20 -1.26 -5.01 119.74 115.44 3gbm s LYS 143 Ca 0.33 1.83 -0.00 0.00 -0.36 0.00 0.00 55.97 57.77 3gbm s LYS 143 Cb 0.07 -3.30 0.10 0.00 -1.51 0.00 0.00 37.83 33.19 3gbm s LYS 143 CO 0.11 -0.22 0.10 0.00 -0.36 0.00 0.00 175.35 174.98 3gbm n ASP 145 N 4.77 0.14 -0.09 0.00 3.85 -1.26 -4.63 116.55 119.33 3gbm n ASP 145 Ca -0.01 -1.41 0.07 0.00 -0.71 0.00 0.00 54.79 52.73 3gbm n ASP 145 Cb 0.42 -0.78 0.42 0.00 -1.35 0.00 0.00 41.12 39.83 3gbm n ASP 145 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.20 176.97 3gbm h ASN 146 N -1.31 0.52 -0.23 -1.12 -0.26 -2.00 0.81 115.58 111.98 3gbm h ASN 146 Ca -0.33 -0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.36 3gbm h ASN 146 Cb 0.93 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 38.06 3gbm h ASN 146 CO 0.24 0.35 -0.03 -0.33 -1.06 0.00 0.00 177.43 176.60 3gbm h GLU 147 N 0.60 0.43 -0.81 0.81 5.08 -1.99 -1.45 114.58 117.25 3gbm h GLU 147 Ca 0.24 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3gbm h GLU 147 Cb 0.20 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 3gbm h GLU 147 CO -0.07 0.64 0.41 0.00 -1.00 0.00 0.00 179.01 179.00 3gbm h MET 149 N 1.14 -0.43 -0.93 0.00 2.07 -0.68 -2.32 114.93 113.78 3gbm h MET 149 Ca 0.28 0.03 0.21 0.00 -2.07 0.00 0.00 59.70 58.15 3gbm h MET 149 Cb 0.07 0.10 -0.07 0.00 -1.87 0.00 0.00 31.60 29.83 3gbm h MET 149 CO -0.04 -0.26 0.61 0.93 1.07 0.00 0.00 176.91 179.22 3gbm h GLU 150 N -0.49 0.41 -0.70 1.72 4.39 -1.12 0.13 114.58 118.92 3gbm h GLU 150 Ca -0.05 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.56 3gbm h GLU 150 Cb 0.37 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 3gbm h GLU 150 CO 0.08 0.27 0.17 0.66 -1.16 0.00 0.00 179.01 179.03 3gbm h SER 151 N 0.42 1.06 -0.82 1.42 4.64 -0.88 -0.72 113.55 118.68 3gbm h SER 151 Ca 0.49 -0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.58 3gbm h SER 151 Cb 1.21 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 62.98 3gbm h SER 151 CO -0.20 1.01 0.48 0.58 -0.87 0.00 0.00 176.83 177.84 3gbm h VAL 152 N 1.06 1.23 0.00 0.95 2.07 -0.38 -1.00 116.25 120.18 3gbm h VAL 152 Ca 0.22 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 3gbm h VAL 152 Cb 0.37 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3gbm h VAL 152 CO 0.00 0.24 -0.09 0.03 0.02 0.00 0.00 177.57 177.78 3gbm h ARG 153 N 1.12 0.00 -0.12 1.57 3.08 -0.35 -3.26 114.38 116.41 3gbm h ARG 153 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3gbm h ARG 153 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3gbm h ARG 153 CO -0.05 0.09 0.00 0.27 -1.07 0.00 0.00 179.97 179.21 3gbm n ASN 154 N -3.18 2.37 0.00 7.04 0.23 -0.36 -4.99 115.26 116.36 3gbm n ASN 154 Ca 0.01 -2.08 0.00 0.00 -0.53 0.00 0.00 54.58 51.98 3gbm n ASN 154 Cb 0.41 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 38.00 3gbm n ASN 154 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gbm n GLY 155 N -0.22 0.76 0.45 4.83 0.00 -1.07 -4.97 105.19 104.97 3gbm n GLY 155 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 3gbm n GLY 155 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3gbm n THR 156 N -2.22 0.00 -1.68 2.61 -1.04 -0.42 -5.00 114.28 106.53 3gbm n THR 156 Ca 0.00 -0.44 -0.51 0.00 -2.04 0.00 0.00 64.05 61.07 3gbm n THR 156 Cb 0.00 1.23 -0.05 0.00 -1.82 0.00 0.00 70.33 69.69 3gbm n THR 156 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gbm n TYR 157 N 0.36 2.16 -2.95 -1.42 4.19 -0.94 -4.91 117.16 113.65 3gbm n TYR 157 Ca 0.07 0.25 -0.43 0.00 3.31 0.00 0.00 57.90 61.10 3gbm n TYR 157 Cb 0.32 -2.56 -0.05 0.00 0.49 0.00 0.00 39.34 37.55 3gbm n TYR 157 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 3gbm s ASP 158 N 2.99 6.27 -0.00 2.98 -1.08 -1.26 -4.95 116.67 121.63 3gbm s ASP 158 Ca 0.91 -0.65 -0.24 0.00 -0.52 0.00 0.00 52.55 52.04 3gbm s ASP 158 Cb -0.81 -2.38 -0.16 0.00 -1.46 0.00 0.00 42.92 38.10 3gbm s ASP 158 CO 0.52 -1.15 1.18 0.22 0.52 0.00 0.00 175.17 176.47 3gbm h TYR 159 N 9.24 -0.35 -1.20 -5.34 5.03 -1.91 -3.08 116.97 119.37 3gbm h TYR 159 Ca -0.27 -0.01 0.34 0.00 2.58 0.00 0.00 58.73 61.37 3gbm h TYR 159 Cb 1.08 0.11 -0.08 0.00 1.55 0.00 0.00 36.73 39.39 3gbm h TYR 159 CO 0.87 0.00 0.81 -1.35 -1.32 0.00 0.00 178.16 177.16 3gbm h PRO 160 N -0.76 0.18 0.00 1.82 0.11 -1.97 -0.74 132.00 130.63 3gbm h PRO 160 Ca -0.04 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.00 3gbm h PRO 160 Cb 0.50 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 3gbm h PRO 160 CO 0.06 0.12 -0.27 0.37 -0.21 0.00 0.00 178.00 178.07 3gbm h GLN 161 N 0.18 0.00 0.00 1.05 4.15 -1.96 -3.15 115.11 115.38 3gbm h GLN 161 Ca 0.65 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.07 3gbm h GLN 161 Cb 2.10 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.79 3gbm h GLN 161 CO -0.21 0.27 -0.83 0.66 -1.93 0.00 0.00 178.83 176.79 3gbm n TYR 162 N -4.08 0.00 0.18 3.99 4.01 -0.33 -4.72 117.16 116.22 3gbm n TYR 162 Ca -0.02 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.86 3gbm n TYR 162 Cb 0.33 -0.05 0.72 0.00 -0.31 0.00 0.00 39.34 40.04 3gbm n TYR 162 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3gbm h SER 163 N 0.00 0.00 -0.31 7.72 4.64 -1.40 -0.71 113.55 123.49 3gbm h SER 163 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 3gbm h SER 163 Cb 0.39 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 3gbm h SER 163 CO 0.00 0.00 -0.18 -0.08 -0.87 0.00 0.00 176.83 175.70 3gbm h GLU 164 N 0.00 0.67 -0.43 4.77 4.57 -1.84 0.28 114.58 122.59 3gbm h GLU 164 Ca 0.09 -0.31 -0.10 0.00 -1.18 0.00 0.00 59.36 57.87 3gbm h GLU 164 Cb 0.39 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 3gbm h GLU 164 CO -0.00 0.90 -0.12 1.49 -1.18 0.00 0.00 179.01 180.10 3gbm h GLU 165 N 0.42 0.79 -0.22 1.92 4.81 -1.53 -2.38 114.58 118.38 3gbm h GLU 165 Ca 0.06 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 59.03 3gbm h GLU 165 Cb 0.72 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 3gbm h GLU 165 CO 0.05 0.87 0.13 0.00 -0.73 0.00 0.00 179.01 179.34 3gbm h ALA 166 N 1.15 0.29 0.00 2.92 0.00 -0.89 -1.94 119.26 120.79 3gbm h ALA 166 Ca 0.12 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3gbm h ALA 166 Cb 0.61 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3gbm h ALA 166 CO 0.04 -0.21 -0.40 0.07 0.00 0.00 0.00 179.25 178.76 3gbm h ARG 167 N 0.28 0.00 -0.41 0.00 0.11 -0.12 -1.44 114.38 112.80 3gbm h ARG 167 Ca 0.08 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 60.01 3gbm h ARG 167 Cb 0.02 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.09 3gbm h ARG 167 CO -0.02 0.40 -0.34 -0.07 0.10 0.00 0.00 179.97 180.04 3gbm h LEU 168 N 0.00 0.99 0.06 0.08 3.38 -1.26 -1.51 115.31 117.05 3gbm h LEU 168 Ca -0.00 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 3gbm h LEU 168 Cb 0.71 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3gbm h LEU 168 CO 0.05 1.22 -0.03 0.50 0.09 0.00 0.00 178.44 180.28 3gbm h LYS 169 N 0.78 -0.08 -0.99 1.13 1.63 -0.95 -1.29 116.57 116.80 3gbm h LYS 169 Ca 0.07 0.01 0.22 0.00 -0.85 0.00 0.00 60.65 60.10 3gbm h LYS 169 Cb 0.92 0.02 -0.09 0.00 -0.60 0.00 0.00 32.23 32.48 3gbm h LYS 169 CO 0.09 0.38 0.62 0.00 -3.45 0.00 0.00 179.45 177.09 3gbm h ARG 170 N -0.58 0.55 0.15 1.90 3.08 -1.30 -0.66 114.38 117.52 3gbm h ARG 170 Ca -0.01 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3gbm h ARG 170 Cb 0.50 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3gbm h ARG 170 CO 0.01 0.36 -0.07 0.93 -1.07 0.00 0.00 179.97 180.13 3gbm h GLU 171 N 0.56 -0.19 -0.82 0.04 4.39 -1.10 -1.76 114.58 115.70 3gbm h GLU 171 Ca 0.56 0.01 0.07 0.00 0.34 0.00 0.00 59.36 60.35 3gbm h GLU 171 Cb 1.16 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.79 3gbm h GLU 171 CO -0.31 -0.04 0.49 1.05 -1.16 0.00 0.00 179.01 179.04 3gbm h GLU 172 N -0.30 0.86 -0.15 2.33 9.09 0.02 -2.17 114.58 124.25 3gbm h GLU 172 Ca -0.02 -0.05 -0.02 0.00 0.05 0.00 0.00 59.36 59.31 3gbm h GLU 172 Cb 0.24 -0.19 -0.01 0.00 -1.65 0.00 0.00 28.75 27.14 3gbm h GLU 172 CO 0.03 0.57 -0.01 0.82 0.05 0.00 0.00 179.01 180.48 3gbm h ILE 173 N 0.88 1.26 -1.00 -1.06 2.04 -0.98 -2.28 117.51 116.38 3gbm h ILE 173 Ca 0.37 -0.86 0.04 0.00 1.00 0.00 0.00 64.86 65.41 3gbm h ILE 173 Cb 0.22 1.54 -0.06 0.00 -0.74 0.00 0.00 36.82 37.79 3gbm h ILE 173 CO -0.19 0.25 0.65 0.28 0.00 0.00 0.00 178.15 179.14 3gbm h SER 174 N -0.01 1.08 0.58 1.72 0.02 -1.24 -2.72 113.55 112.99 3gbm h SER 174 Ca 0.04 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 3gbm h SER 174 Cb 0.39 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3gbm h SER 174 CO 0.01 0.73 -0.26 0.28 -1.14 0.00 0.00 176.83 176.45 3gbm h SER 175 N 1.25 0.00 0.00 3.07 0.02 -1.26 -3.47 113.55 113.15 3gbm h SER 175 Ca 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 3gbm h SER 175 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3gbm h SER 175 CO -0.13 0.26 0.00 0.61 -1.14 0.00 0.00 176.83 176.43 3gbm n GLY 176 N -0.26 0.66 0.00 -3.77 0.00 -0.89 -5.10 105.19 95.83 3gbm n GLY 176 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3gbm n GLY 176 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19