#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gw3 s MET 1 N 0.00 2.70 0.23 -0.52 -1.94 -1.26 -4.86 119.30 113.65 2gw3 s MET 1 Ca 0.00 -1.46 -0.32 0.00 -1.71 0.00 0.00 55.69 52.21 2gw3 s MET 1 Cb 0.00 -3.89 -0.12 0.00 2.01 0.00 0.00 34.83 32.83 2gw3 s MET 1 CO 0.00 -0.99 1.64 0.45 -0.01 0.00 0.00 175.02 176.10 2gw3 n SER 2 N 5.00 3.68 -1.04 3.03 2.88 -1.26 -4.91 113.62 120.99 2gw3 n SER 2 Ca -0.11 1.10 0.09 0.00 -1.33 0.00 0.00 58.87 58.62 2gw3 n SER 2 Cb 0.43 -1.54 0.25 0.00 -0.75 0.00 0.00 64.21 62.60 2gw3 n SER 2 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2gw3 n LEU 3 N 3.22 3.58 -4.77 2.46 4.77 -1.26 -4.98 117.00 120.01 2gw3 n LEU 3 Ca 0.14 -2.08 -0.41 0.00 -0.03 0.00 0.00 56.01 53.63 2gw3 n LEU 3 Cb 0.34 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 41.03 2gw3 n LEU 3 CO 0.64 0.85 1.17 -0.63 -1.33 0.00 0.00 177.39 178.09 2gw3 s ILE 4 N -1.14 2.10 0.49 -0.08 1.01 -1.26 -4.98 121.20 117.34 2gw3 s ILE 4 Ca 0.38 0.10 -0.02 0.00 0.00 0.00 0.00 60.65 61.10 2gw3 s ILE 4 Cb 0.21 -3.06 -0.01 0.00 0.01 0.00 0.00 42.46 39.61 2gw3 s ILE 4 CO 0.24 0.02 0.75 -0.54 0.00 0.00 0.00 174.94 175.41 2gw3 s LYS 5 N -1.38 3.12 0.59 2.79 1.02 -1.26 -4.99 119.74 119.62 2gw3 s LYS 5 Ca 0.57 -0.24 0.36 0.00 0.02 0.00 0.00 55.97 56.68 2gw3 s LYS 5 Cb -0.47 -2.45 1.78 0.00 -0.52 0.00 0.00 37.83 36.17 2gw3 s LYS 5 CO 0.56 -0.36 2.15 -1.35 -0.92 0.00 0.00 175.35 175.43 2gw3 h PRO 6 N 0.23 0.00 -4.45 -1.68 0.11 -1.94 -3.40 132.00 120.86 2gw3 h PRO 6 Ca -0.46 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.12 2gw3 h PRO 6 Cb 1.24 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 32.00 2gw3 h PRO 6 CO 0.59 0.04 -0.81 -1.21 -0.21 0.00 0.00 178.00 176.39 2gw3 s GLU 7 N -4.01 1.73 0.11 1.05 2.02 -1.26 -3.87 118.70 114.46 2gw3 s GLU 7 Ca -0.02 -0.38 0.02 0.00 0.02 0.00 0.00 54.97 54.61 2gw3 s GLU 7 Cb 0.12 -1.57 -0.04 0.00 0.10 0.00 0.00 34.13 32.74 2gw3 s GLU 7 CO 0.51 -0.11 -0.07 -1.64 0.02 0.00 0.00 175.26 173.97 2gw3 s MET 8 N 1.13 0.87 0.32 1.61 -1.94 -0.60 -5.00 119.30 115.69 2gw3 s MET 8 Ca -0.05 -1.33 0.08 0.00 -1.71 0.00 0.00 55.69 52.67 2gw3 s MET 8 Cb -0.14 -0.31 -0.03 0.00 2.01 0.00 0.00 34.83 36.36 2gw3 s MET 8 CO -0.02 0.01 0.23 0.15 -0.01 0.00 0.00 175.02 175.38 2gw3 s LYS 9 N -3.70 2.67 -0.01 2.03 1.02 0.00 -1.22 119.74 120.53 2gw3 s LYS 9 Ca 0.12 -1.31 0.00 0.00 0.02 0.00 0.00 55.97 54.80 2gw3 s LYS 9 Cb 0.04 -2.42 0.02 0.00 -0.52 0.00 0.00 37.83 34.95 2gw3 s LYS 9 CO -0.03 0.17 0.01 0.42 -0.92 0.00 0.00 175.35 174.99 2gw3 s ILE 10 N -2.30 0.03 -0.03 2.17 1.01 0.25 -0.72 121.20 121.60 2gw3 s ILE 10 Ca 0.38 0.10 0.05 0.00 0.00 0.00 0.00 60.65 61.18 2gw3 s ILE 10 Cb -0.06 -0.11 -0.01 0.00 0.01 0.00 0.00 42.46 42.30 2gw3 s ILE 10 CO 0.25 0.07 -0.18 -0.54 0.00 0.00 0.00 174.94 174.54 2gw3 s LYS 11 N 0.65 1.70 -0.04 2.79 -0.14 0.19 -0.63 119.74 124.25 2gw3 s LYS 11 Ca -0.06 -0.65 -0.09 0.00 -1.36 0.00 0.00 55.97 53.82 2gw3 s LYS 11 Cb -0.08 -1.54 0.01 0.00 -1.68 0.00 0.00 37.83 34.54 2gw3 s LYS 11 CO -0.02 0.32 0.20 -1.17 -0.76 0.00 0.00 175.35 173.93 2gw3 s LEU 12 N -0.18 1.26 -0.06 3.17 0.20 -0.20 -0.95 118.68 121.92 2gw3 s LEU 12 Ca 0.01 0.16 -0.01 0.00 0.69 0.00 0.00 54.13 54.98 2gw3 s LEU 12 Cb -0.10 0.80 0.03 0.00 -0.43 0.00 0.00 46.19 46.49 2gw3 s LEU 12 CO 0.01 -0.24 0.00 -0.22 -0.29 0.00 0.00 176.35 175.62 2gw3 s LEU 13 N -0.63 0.67 -0.13 -0.68 2.96 -0.58 -0.51 118.68 119.78 2gw3 s LEU 13 Ca -0.07 -0.06 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 2gw3 s LEU 13 Cb -0.04 -0.38 -0.01 0.00 0.50 0.00 0.00 46.19 46.26 2gw3 s LEU 13 CO 0.01 -0.18 -0.15 -0.32 -1.32 0.00 0.00 176.35 174.39 2gw3 s MET 14 N 1.78 3.31 -0.15 1.98 -2.45 0.34 -0.95 119.30 123.17 2gw3 s MET 14 Ca 0.02 -0.73 -0.01 0.00 -1.25 0.00 0.00 55.69 53.72 2gw3 s MET 14 Cb -0.13 -2.57 -0.01 0.00 1.25 0.00 0.00 34.83 33.37 2gw3 s MET 14 CO -0.04 0.20 -0.11 -1.21 1.05 0.00 0.00 175.02 174.91 2gw3 s GLU 15 N 0.37 3.39 0.24 4.11 2.02 -0.50 -1.00 118.70 127.33 2gw3 s GLU 15 Ca -0.12 -0.67 -0.04 0.00 0.02 0.00 0.00 54.97 54.16 2gw3 s GLU 15 Cb -0.16 -2.72 -0.03 0.00 0.10 0.00 0.00 34.13 31.32 2gw3 s GLU 15 CO 0.06 0.12 0.27 0.20 0.02 0.00 0.00 175.26 175.94 2gw3 s GLY 16 N 0.59 1.25 -0.24 -1.39 0.00 -0.03 -1.76 107.32 105.74 2gw3 s GLY 16 Ca -0.07 -1.47 -0.06 0.00 0.00 0.00 0.00 44.72 43.12 2gw3 s GLY 16 CO 0.03 -1.14 0.48 0.21 0.00 0.00 0.00 173.10 172.67 2gw3 s ASN 17 N -3.14 -0.46 -0.14 1.64 3.84 -0.34 -1.31 114.94 115.03 2gw3 s ASN 17 Ca 0.34 0.89 0.01 0.00 0.21 0.00 0.00 52.86 54.31 2gw3 s ASN 17 Cb 0.04 1.59 0.02 0.00 -0.55 0.00 0.00 41.25 42.34 2gw3 s ASN 17 CO 0.13 -0.25 -0.17 -0.69 -2.79 0.00 0.00 177.10 173.33 2gw3 s VAL 18 N 2.69 1.73 -1.47 -5.21 1.01 -0.61 -0.85 120.40 117.70 2gw3 s VAL 18 Ca 0.04 -0.75 -0.13 0.00 0.00 0.00 0.00 61.98 61.14 2gw3 s VAL 18 Cb -0.13 -1.58 0.10 0.00 0.00 0.00 0.00 36.38 34.77 2gw3 s VAL 18 CO -0.16 0.49 0.68 0.59 0.00 0.00 0.00 175.10 176.70 2gw3 n ASN 19 N 4.47 -3.81 0.00 3.32 4.13 0.27 -0.51 115.26 123.13 2gw3 n ASN 19 Ca -0.19 -0.66 0.00 0.00 1.68 0.00 0.00 54.58 55.41 2gw3 n ASN 19 Cb 0.51 -3.12 0.00 0.00 -1.54 0.00 0.00 39.78 35.63 2gw3 n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2gw3 n GLY 20 N -1.34 1.47 3.58 7.41 0.00 -1.26 -5.03 105.19 110.03 2gw3 n GLY 20 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2gw3 n GLY 20 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2gw3 s HIS 21 N -2.42 3.14 0.20 1.61 5.04 0.33 -5.04 115.29 118.15 2gw3 s HIS 21 Ca 0.00 0.52 -0.20 0.00 -1.54 0.00 0.00 55.06 53.84 2gw3 s HIS 21 Cb 0.00 -3.28 -0.08 0.00 0.04 0.00 0.00 32.58 29.26 2gw3 s HIS 21 CO 0.00 -0.67 0.71 -1.14 -2.34 0.00 0.00 174.74 171.29 2gw3 s GLN 22 N 2.94 4.25 0.17 2.88 -0.44 -1.26 -1.57 119.66 126.64 2gw3 s GLN 22 Ca 0.29 0.86 -0.20 0.00 -2.50 0.00 0.00 55.36 53.80 2gw3 s GLN 22 Cb -0.14 -2.94 0.05 0.00 -1.64 0.00 0.00 33.01 28.34 2gw3 s GLN 22 CO 0.16 0.43 0.56 -0.59 0.50 0.00 0.00 175.29 176.35 2gw3 s PHE 23 N -1.46 -0.35 -0.03 1.67 -0.12 -0.43 -4.20 117.98 113.07 2gw3 s PHE 23 Ca 0.41 0.06 0.01 0.00 -0.05 0.00 0.00 56.93 57.36 2gw3 s PHE 23 Cb -0.17 0.48 0.02 0.00 -0.63 0.00 0.00 43.02 42.72 2gw3 s PHE 23 CO 0.21 -0.88 -0.03 0.08 -0.05 0.00 0.00 175.22 174.56 2gw3 s VAL 24 N -3.80 0.36 -0.04 -2.49 1.01 -0.60 -0.85 120.40 113.98 2gw3 s VAL 24 Ca 0.04 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 61.99 2gw3 s VAL 24 Cb -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 35.99 2gw3 s VAL 24 CO -0.09 0.16 -0.12 -0.63 0.00 0.00 0.00 175.10 174.42 2gw3 s ILE 25 N 0.67 1.07 -0.07 2.22 1.01 -0.17 -0.33 121.20 125.60 2gw3 s ILE 25 Ca -0.08 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.07 2gw3 s ILE 25 Cb -0.11 -0.95 -0.03 0.00 0.01 0.00 0.00 42.46 41.38 2gw3 s ILE 25 CO -0.01 0.33 -0.05 -1.61 0.00 0.00 0.00 174.94 173.60 2gw3 s GLU 26 N 0.25 2.81 0.01 2.79 2.02 -0.10 -0.50 118.70 125.98 2gw3 s GLU 26 Ca -0.06 -0.51 0.07 0.00 0.02 0.00 0.00 54.97 54.49 2gw3 s GLU 26 Cb -0.11 -2.65 -0.02 0.00 0.10 0.00 0.00 34.13 31.45 2gw3 s GLU 26 CO 0.02 0.67 -0.20 0.20 0.02 0.00 0.00 175.26 175.97 2gw3 s GLY 27 N -0.83 1.03 -0.08 -1.39 0.00 0.33 -0.74 107.32 105.64 2gw3 s GLY 27 Ca 0.13 -0.94 -0.01 0.00 0.00 0.00 0.00 44.72 43.89 2gw3 s GLY 27 CO 0.02 -0.83 -0.01 -0.35 0.00 0.00 0.00 173.10 171.92 2gw3 s ASP 28 N -0.81 1.75 0.00 1.64 2.15 -0.32 -1.04 116.67 120.04 2gw3 s ASP 28 Ca 0.07 -0.16 0.00 0.00 0.43 0.00 0.00 52.55 52.90 2gw3 s ASP 28 Cb -0.08 -0.51 0.00 0.00 -0.30 0.00 0.00 42.92 42.03 2gw3 s ASP 28 CO 0.00 -0.19 0.00 0.61 -0.17 0.00 0.00 175.17 175.43 2gw3 n GLY 29 N 5.11 3.41 3.75 2.66 0.00 0.19 -0.26 105.19 120.06 2gw3 n GLY 29 Ca -0.08 -1.16 -0.05 0.00 0.00 0.00 0.00 46.02 44.73 2gw3 n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gw3 s LYS 30 N -0.44 1.36 0.15 1.61 0.00 -0.52 -0.58 119.74 121.31 2gw3 s LYS 30 Ca 0.00 -0.73 -0.24 0.00 0.00 0.00 0.00 55.97 55.00 2gw3 s LYS 30 Cb 0.00 0.48 0.08 0.00 0.00 0.00 0.00 37.83 38.39 2gw3 s LYS 30 CO 0.00 -0.62 1.05 0.20 0.00 0.00 0.00 175.35 175.98 2gw3 s GLY 31 N -2.89 -0.04 -0.46 0.59 0.00 -0.36 -1.20 107.32 102.96 2gw3 s GLY 31 Ca 0.11 -0.11 0.04 0.00 0.00 0.00 0.00 44.72 44.76 2gw3 s GLY 31 CO 0.02 1.68 0.20 0.30 0.00 0.00 0.00 173.10 175.30 2gw3 s HIS 32 N -2.50 3.29 0.25 1.90 3.76 0.85 -1.56 115.29 121.29 2gw3 s HIS 32 Ca 0.19 -3.09 -0.03 0.00 -0.15 0.00 0.00 55.06 51.98 2gw3 s HIS 32 Cb -0.02 -2.81 0.52 0.00 1.11 0.00 0.00 32.58 31.39 2gw3 s HIS 32 CO 0.03 -0.80 1.69 -1.35 -0.85 0.00 0.00 174.74 173.46 2gw3 h PRO 33 N 6.85 0.31 0.00 8.40 0.11 -1.78 -1.08 132.00 144.82 2gw3 h PRO 33 Ca -0.07 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2gw3 h PRO 33 Cb 0.93 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2gw3 h PRO 33 CO 0.63 0.21 0.00 1.19 -0.21 0.00 0.00 178.00 179.82 2gw3 n PHE 34 N -5.11 0.46 0.78 0.65 3.72 -1.26 -2.47 117.46 114.23 2gw3 n PHE 34 Ca 0.16 0.15 0.11 0.00 -0.05 0.00 0.00 57.45 57.81 2gw3 n PHE 34 Cb 0.49 -0.74 -0.04 0.00 -0.94 0.00 0.00 39.48 38.25 2gw3 n PHE 34 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2gw3 n GLU 35 N -1.89 0.15 -2.55 -1.08 1.02 -0.51 -4.58 120.64 111.19 2gw3 n GLU 35 Ca 0.05 -0.03 -0.11 0.00 -0.02 0.00 0.00 57.16 57.05 2gw3 n GLU 35 Cb 0.34 -1.52 0.01 0.00 -0.02 0.00 0.00 31.44 30.25 2gw3 n GLU 35 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gw3 n GLY 36 N 1.44 0.03 3.13 0.62 0.00 -0.59 -4.46 105.19 105.35 2gw3 n GLY 36 Ca 0.03 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 2gw3 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gw3 s LYS 37 N -5.00 1.15 0.09 1.61 1.02 -1.12 -0.22 119.74 117.27 2gw3 s LYS 37 Ca 0.12 -0.58 -0.17 0.00 0.02 0.00 0.00 55.97 55.36 2gw3 s LYS 37 Cb -0.05 -1.13 0.04 0.00 -0.52 0.00 0.00 37.83 36.17 2gw3 s LYS 37 CO 0.15 0.30 0.41 1.14 -0.92 0.00 0.00 175.35 176.44 2gw3 s GLN 38 N -0.52 1.01 0.04 1.68 -2.07 -0.74 -0.11 119.66 118.96 2gw3 s GLN 38 Ca 0.05 -0.55 -0.05 0.00 -1.82 0.00 0.00 55.36 52.99 2gw3 s GLN 38 Cb -0.06 0.45 -0.01 0.00 -1.09 0.00 0.00 33.01 32.29 2gw3 s GLN 38 CO -0.00 -0.38 0.08 -1.54 -1.32 0.00 0.00 175.29 172.13 2gw3 s SER 39 N -2.46 0.21 -0.07 12.60 1.04 -0.34 -1.45 113.70 123.23 2gw3 s SER 39 Ca -0.01 -0.59 -0.16 0.00 0.48 0.00 0.00 55.95 55.67 2gw3 s SER 39 Cb 0.01 0.23 0.03 0.00 0.10 0.00 0.00 66.02 66.39 2gw3 s SER 39 CO -0.08 -0.53 0.38 -0.32 0.98 0.00 0.00 173.24 173.67 2gw3 s MET 40 N -2.80 0.62 -0.27 4.02 0.00 0.07 -1.44 119.30 119.50 2gw3 s MET 40 Ca -0.03 0.15 -0.11 0.00 0.00 0.00 0.00 55.69 55.70 2gw3 s MET 40 Cb -0.00 0.28 -0.05 0.00 0.00 0.00 0.00 34.83 35.06 2gw3 s MET 40 CO -0.06 -0.14 0.18 -0.51 0.00 0.00 0.00 175.02 174.49 2gw3 s ASP 41 N -0.68 6.04 -0.10 1.11 1.01 0.64 -0.81 116.67 123.87 2gw3 s ASP 41 Ca -0.08 0.03 0.01 0.00 0.71 0.00 0.00 52.55 53.22 2gw3 s ASP 41 Cb -0.04 -2.11 -0.02 0.00 1.01 0.00 0.00 42.92 41.76 2gw3 s ASP 41 CO 0.03 -0.01 -0.12 -0.76 0.21 0.00 0.00 175.17 174.52 2gw3 s LEU 42 N 1.51 2.81 -0.07 1.23 1.43 0.50 -1.18 118.68 124.91 2gw3 s LEU 42 Ca 0.07 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 52.95 2gw3 s LEU 42 Cb -0.15 -1.61 0.02 0.00 0.03 0.00 0.00 46.19 44.47 2gw3 s LEU 42 CO 0.09 0.24 -0.11 -0.69 0.23 0.00 0.00 176.35 176.10 2gw3 s VAL 43 N -0.09 1.11 -0.28 -1.59 1.01 0.09 -1.28 120.40 119.36 2gw3 s VAL 43 Ca -0.01 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 2gw3 s VAL 43 Cb -0.14 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.21 2gw3 s VAL 43 CO 0.03 0.36 1.19 -0.69 0.00 0.00 0.00 175.10 175.99 2gw3 s VAL 44 N 0.84 4.34 -0.12 2.92 1.01 -0.18 -0.93 120.40 128.27 2gw3 s VAL 44 Ca -0.11 1.55 0.18 0.00 0.00 0.00 0.00 61.98 63.59 2gw3 s VAL 44 Cb -0.15 -4.25 -0.22 0.00 0.00 0.00 0.00 36.38 31.76 2gw3 s VAL 44 CO 0.02 -0.41 0.50 0.29 0.00 0.00 0.00 175.10 175.49 2gw3 n LYS 45 N 6.98 0.65 -3.82 2.72 4.76 0.55 -4.86 118.16 125.14 2gw3 n LYS 45 Ca 0.13 0.08 -0.12 0.00 -2.87 0.00 0.00 58.31 55.53 2gw3 n LYS 45 Cb 0.46 -1.66 -0.11 0.00 -1.84 0.00 0.00 35.03 31.88 2gw3 n LYS 45 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2gw3 s GLU 46 N -2.84 0.32 0.00 1.97 2.02 -1.03 -4.90 118.70 114.24 2gw3 s GLU 46 Ca -0.06 0.10 0.00 0.00 0.02 0.00 0.00 54.97 55.03 2gw3 s GLU 46 Cb 0.09 0.15 0.00 0.00 0.10 0.00 0.00 34.13 34.46 2gw3 s GLU 46 CO 0.84 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 176.47 2gw3 n GLY 47 N 2.52 0.73 3.77 -1.39 0.00 -1.26 -1.56 105.19 108.00 2gw3 n GLY 47 Ca -0.15 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 2gw3 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gw3 s ALA 48 N -2.00 3.27 0.15 4.61 0.00 -1.26 -3.47 121.76 123.05 2gw3 s ALA 48 Ca 0.00 0.56 -0.19 0.00 0.00 0.00 0.00 51.96 52.33 2gw3 s ALA 48 Cb 0.00 -3.19 -0.07 0.00 0.00 0.00 0.00 23.12 19.86 2gw3 s ALA 48 CO 0.00 0.19 0.64 -1.25 0.00 0.00 0.00 175.76 175.34 2gw3 s PRO 49 N -1.70 4.21 0.27 0.00 0.04 -1.26 -5.11 135.00 131.45 2gw3 s PRO 49 Ca 0.46 0.77 -0.30 0.00 0.04 0.00 0.00 61.00 61.98 2gw3 s PRO 49 Cb -0.22 -3.04 -0.10 0.00 0.04 0.00 0.00 34.50 31.18 2gw3 s PRO 49 CO 0.27 0.51 1.45 -0.51 0.04 0.00 0.00 177.00 178.76 2gw3 s LEU 50 N -1.62 4.38 -0.09 -3.56 1.43 -1.23 -4.91 118.68 113.08 2gw3 s LEU 50 Ca 0.37 2.74 0.11 0.00 -1.03 0.00 0.00 54.13 56.31 2gw3 s LEU 50 Cb -0.18 -3.63 0.48 0.00 0.03 0.00 0.00 46.19 42.89 2gw3 s LEU 50 CO 0.21 -0.72 1.30 -0.81 0.23 0.00 0.00 176.35 176.55 2gw3 n PRO 51 N 1.99 2.94 -4.18 1.29 -0.04 -1.26 -4.91 135.00 130.83 2gw3 n PRO 51 Ca 0.06 -1.86 -0.11 0.00 -0.04 0.00 0.00 63.50 61.55 2gw3 n PRO 51 Cb 0.40 -1.75 -0.10 0.00 -0.04 0.00 0.00 33.50 32.00 2gw3 n PRO 51 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2gw3 s PHE 52 N -1.84 1.01 -0.02 0.54 -0.12 -1.26 -4.64 117.98 111.64 2gw3 s PHE 52 Ca 0.33 -1.25 -0.30 0.00 -0.05 0.00 0.00 56.93 55.66 2gw3 s PHE 52 Cb 0.22 -0.54 -0.08 0.00 -0.63 0.00 0.00 43.02 41.99 2gw3 s PHE 52 CO 0.14 -0.52 2.03 0.00 -0.05 0.00 0.00 175.22 176.82 2gw3 n ALA 53 N -0.17 1.61 -0.11 1.99 0.00 0.20 -4.88 120.51 119.16 2gw3 n ALA 53 Ca -0.03 0.11 0.09 0.00 0.00 0.00 0.00 53.44 53.61 2gw3 n ALA 53 Cb 0.64 -2.73 0.44 0.00 0.00 0.00 0.00 19.45 17.80 2gw3 n ALA 53 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2gw3 h TYR 54 N 11.54 0.56 -0.77 0.00 5.03 -1.95 -2.36 116.97 129.01 2gw3 h TYR 54 Ca -0.48 0.01 0.22 0.00 2.58 0.00 0.00 58.73 61.06 2gw3 h TYR 54 Cb 1.24 -0.18 -0.03 0.00 1.55 0.00 0.00 36.73 39.30 2gw3 h TYR 54 CO 0.95 0.29 0.55 -0.44 -1.32 0.00 0.00 178.16 178.19 2gw3 h ASP 55 N 0.54 0.05 0.32 -2.11 3.32 -1.95 -0.54 116.42 116.06 2gw3 h ASP 55 Ca 0.27 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 2gw3 h ASP 55 Cb 0.37 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 2gw3 h ASP 55 CO -0.08 0.02 -0.03 0.16 -1.72 0.00 0.00 179.24 177.59 2gw3 h ILE 56 N 0.05 0.17 0.00 0.35 3.07 -1.82 -2.82 117.51 116.51 2gw3 h ILE 56 Ca 0.37 -0.24 -0.05 0.00 1.55 0.00 0.00 64.86 66.49 2gw3 h ILE 56 Cb 1.41 1.20 -0.01 0.00 -0.27 0.00 0.00 36.82 39.15 2gw3 h ILE 56 CO -0.02 0.03 -1.08 -0.07 -1.05 0.00 0.00 178.15 175.95 2gw3 h LEU 57 N 0.00 0.00 -1.34 0.16 3.38 -1.30 -3.42 115.31 112.78 2gw3 h LEU 57 Ca -0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 2gw3 h LEU 57 Cb 0.19 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 2gw3 h LEU 57 CO 0.00 0.19 0.49 0.71 0.09 0.00 0.00 178.44 179.92 2gw3 h THR 58 N 0.00 1.04 0.00 0.22 1.35 -1.54 -0.20 112.91 113.78 2gw3 h THR 58 Ca -0.05 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 2gw3 h THR 58 Cb 1.19 0.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 2gw3 h THR 58 CO 0.02 0.15 0.00 0.35 -0.25 0.00 0.00 175.52 175.78 2gw3 n THR 59 N -4.48 0.80 0.23 6.82 -2.24 -1.26 -1.40 114.28 112.74 2gw3 n THR 59 Ca 0.11 0.18 0.13 0.00 -2.27 0.00 0.00 64.05 62.19 2gw3 n THR 59 Cb 0.21 -0.95 0.24 0.00 -2.10 0.00 0.00 70.33 67.72 2gw3 n THR 59 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gw3 h ALA 60 N 2.50 1.00 -0.52 6.98 0.00 -1.33 -3.44 119.26 124.44 2gw3 h ALA 60 Ca 0.00 -0.00 -0.73 0.00 0.00 0.00 0.00 54.91 54.18 2gw3 h ALA 60 Cb 0.35 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.04 2gw3 h ALA 60 CO 0.00 0.00 2.69 1.19 0.00 0.00 0.00 179.25 183.13 2gw3 n PHE 61 N -3.10 2.65 0.00 0.00 0.99 -0.50 -5.00 117.46 112.51 2gw3 n PHE 61 Ca 0.04 -2.88 0.00 0.00 -0.00 0.00 0.00 57.45 54.61 2gw3 n PHE 61 Cb 0.50 -2.02 0.00 0.00 -1.00 0.00 0.00 39.48 36.96 2gw3 n PHE 61 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2gw3 n ASN 65 N 2.61 0.00 0.00 4.37 2.85 -1.26 -5.11 115.26 118.72 2gw3 n ASN 65 Ca 0.62 0.00 0.03 0.00 -0.11 0.00 0.00 54.58 55.12 2gw3 n ASN 65 Cb 0.27 0.00 0.19 0.00 1.24 0.00 0.00 39.78 41.48 2gw3 n ASN 65 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 2gw3 n ARG 66 N 0.00 0.19 0.08 1.20 3.00 -1.26 -1.45 116.66 118.42 2gw3 n ARG 66 Ca 0.00 0.04 0.03 0.00 -0.00 0.00 0.00 57.85 57.92 2gw3 n ARG 66 Cb 0.00 -1.50 0.41 0.00 0.00 0.00 0.00 32.46 31.37 2gw3 n ARG 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2gw3 h VAL 67 N 0.00 1.14 -1.22 5.15 2.07 -1.96 -3.23 116.25 118.21 2gw3 h VAL 67 Ca 0.00 -0.54 -0.74 0.00 0.82 0.00 0.00 66.70 66.24 2gw3 h VAL 67 Cb 0.01 0.95 -0.13 0.00 -1.52 0.00 0.00 31.29 30.60 2gw3 h VAL 67 CO 0.00 0.18 2.13 0.49 0.02 0.00 0.00 177.57 180.40 2gw3 n PHE 68 N -4.36 3.57 -3.68 1.57 3.01 -0.52 -4.71 117.46 112.33 2gw3 n PHE 68 Ca 0.00 -2.94 -0.11 0.00 1.01 0.00 0.00 57.45 55.42 2gw3 n PHE 68 Cb 0.19 -2.17 -0.09 0.00 -0.01 0.00 0.00 39.48 37.40 2gw3 n PHE 68 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2gw3 s ALA 69 N 1.45 -1.32 -0.55 4.37 0.00 -1.22 -4.42 121.76 120.06 2gw3 s ALA 69 Ca 0.43 1.69 -0.28 0.00 0.00 0.00 0.00 51.96 53.79 2gw3 s ALA 69 Cb 0.08 -1.00 0.02 0.00 0.00 0.00 0.00 23.12 22.22 2gw3 s ALA 69 CO -0.01 -0.28 1.29 0.21 0.00 0.00 0.00 175.76 176.97 2gw3 s LYS 70 N 0.96 3.46 -0.19 0.00 2.20 -0.24 -4.50 119.74 121.44 2gw3 s LYS 70 Ca -0.06 0.41 -0.12 0.00 -0.36 0.00 0.00 55.97 55.85 2gw3 s LYS 70 Cb -0.06 -4.05 -0.05 0.00 -1.51 0.00 0.00 37.83 32.17 2gw3 s LYS 70 CO -0.08 -1.74 0.21 0.71 -0.36 0.00 0.00 175.35 174.09 2gw3 s TYR 71 N 5.36 3.42 0.68 4.03 1.51 -1.26 -0.62 117.35 130.47 2gw3 s TYR 71 Ca 0.48 0.45 -0.11 0.00 -1.01 0.00 0.00 57.07 56.88 2gw3 s TYR 71 Cb -0.09 -2.26 -0.00 0.00 -0.11 0.00 0.00 41.96 39.49 2gw3 s TYR 71 CO 0.26 0.24 1.05 -1.25 -1.11 0.00 0.00 175.55 174.75 2gw3 s PRO 72 N 0.50 3.07 0.55 -1.71 0.04 -1.26 -4.94 135.00 131.26 2gw3 s PRO 72 Ca 0.12 0.88 0.23 0.00 0.04 0.00 0.00 61.00 62.26 2gw3 s PRO 72 Cb -0.12 -2.01 1.53 0.00 0.04 0.00 0.00 34.50 33.94 2gw3 s PRO 72 CO 0.01 -0.98 2.19 -0.44 0.04 0.00 0.00 177.00 177.82 2gw3 h ASP 73 N -0.63 0.00 0.25 6.66 3.45 -1.99 -2.63 116.42 121.53 2gw3 h ASP 73 Ca -0.44 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.02 2gw3 h ASP 73 Cb 1.21 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.98 2gw3 h ASP 73 CO 0.58 0.00 -0.01 0.00 -1.57 0.00 0.00 179.24 178.25 2gw3 n HIS 74 N -4.21 0.00 -4.09 4.55 1.44 -1.26 -4.66 115.22 106.99 2gw3 n HIS 74 Ca -0.02 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.36 2gw3 n HIS 74 Cb 0.12 -0.13 -0.16 0.00 0.12 0.00 0.00 29.99 29.95 2gw3 n HIS 74 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2gw3 s ILE 75 N -2.26 2.20 0.30 0.61 1.01 -0.99 -5.05 121.20 117.01 2gw3 s ILE 75 Ca 0.39 -0.99 -0.29 0.00 0.00 0.00 0.00 60.65 59.75 2gw3 s ILE 75 Cb 0.21 -1.98 -0.13 0.00 0.01 0.00 0.00 42.46 40.57 2gw3 s ILE 75 CO 0.41 0.45 1.36 -2.65 0.00 0.00 0.00 174.94 174.52 2gw3 n PRO 76 N 4.61 2.13 -3.33 2.79 -0.02 -1.26 -4.68 135.00 135.24 2gw3 n PRO 76 Ca -0.20 0.75 -0.46 0.00 -2.02 0.00 0.00 63.50 61.58 2gw3 n PRO 76 Cb 0.49 -2.38 -0.04 0.00 -0.02 0.00 0.00 33.50 31.55 2gw3 n PRO 76 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2gw3 s ASP 77 N 0.00 6.38 0.41 2.55 -1.08 -1.26 -4.50 116.67 119.17 2gw3 s ASP 77 Ca 0.61 -2.17 0.09 0.00 -0.52 0.00 0.00 52.55 50.57 2gw3 s ASP 77 Cb -0.60 -2.20 0.89 0.00 -1.46 0.00 0.00 42.92 39.56 2gw3 s ASP 77 CO 0.56 -0.73 2.01 0.22 0.52 0.00 0.00 175.17 177.74 2gw3 h TYR 78 N 8.40 0.55 0.01 -5.34 5.03 -1.91 -2.81 116.97 120.90 2gw3 h TYR 78 Ca -0.13 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.15 2gw3 h TYR 78 Cb 1.07 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 39.18 2gw3 h TYR 78 CO 0.85 0.30 -0.17 0.74 -1.32 0.00 0.00 178.16 178.56 2gw3 h PHE 79 N 0.55 0.15 0.00 -3.82 0.04 -1.91 -2.96 116.94 109.00 2gw3 h PHE 79 Ca 0.24 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.91 2gw3 h PHE 79 Cb 0.23 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.37 2gw3 h PHE 79 CO -0.00 0.94 0.00 0.87 -0.60 0.00 0.00 178.31 179.52 2gw3 h LYS 80 N -0.68 0.00 0.00 1.51 1.57 -1.89 -1.71 116.57 115.37 2gw3 h LYS 80 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2gw3 h LYS 80 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 2gw3 h LYS 80 CO 0.03 0.00 -0.07 1.96 -0.57 0.00 0.00 179.45 180.80 2gw3 h GLN 81 N 0.00 0.00 -1.02 3.15 4.20 -1.53 -3.37 115.11 116.54 2gw3 h GLN 81 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2gw3 h GLN 81 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 2gw3 h GLN 81 CO 0.00 0.00 0.00 0.43 -0.67 0.00 0.00 178.83 178.59 2gw3 n SER 82 N -2.63 2.57 -4.25 1.46 7.64 -0.64 -4.71 113.62 113.06 2gw3 n SER 82 Ca 0.05 -1.94 -0.14 0.00 1.01 0.00 0.00 58.87 57.84 2gw3 n SER 82 Cb 0.48 -0.49 -0.10 0.00 -1.01 0.00 0.00 64.21 63.09 2gw3 n SER 82 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2gw3 s PHE 83 N -0.15 1.27 -0.26 1.43 0.40 -1.26 0.19 117.98 119.59 2gw3 s PHE 83 Ca 0.00 -0.78 0.27 0.00 -0.60 0.00 0.00 56.93 55.82 2gw3 s PHE 83 Cb 0.00 -0.65 1.14 0.00 0.51 0.00 0.00 43.02 44.02 2gw3 s PHE 83 CO 0.00 0.06 1.81 -1.00 0.70 0.00 0.00 175.22 176.80 2gw3 h PRO 84 N 2.77 0.00 -0.04 0.24 0.13 -1.95 -3.47 132.00 129.68 2gw3 h PRO 84 Ca -0.37 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.71 2gw3 h PRO 84 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2gw3 h PRO 84 CO 0.64 0.00 -0.24 0.87 -0.23 0.00 0.00 178.00 179.04 2gw3 h LYS 85 N 0.00 0.07 0.00 0.86 1.57 -1.91 -3.40 116.57 113.76 2gw3 h LYS 85 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2gw3 h LYS 85 Cb 0.40 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2gw3 h LYS 85 CO 0.00 0.31 0.00 0.41 -0.57 0.00 0.00 179.45 179.60 2gw3 n GLY 86 N -0.78 -2.95 3.53 3.86 0.00 0.13 -4.83 105.19 104.15 2gw3 n GLY 86 Ca -0.02 -1.92 -0.09 0.00 0.00 0.00 0.00 46.02 43.99 2gw3 n GLY 86 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2gw3 s PHE 87 N -0.57 0.18 0.19 1.61 -0.71 -1.04 -1.02 117.98 116.62 2gw3 s PHE 87 Ca 0.00 -0.54 0.03 0.00 -1.04 0.00 0.00 56.93 55.38 2gw3 s PHE 87 Cb 0.00 0.24 -0.05 0.00 -1.21 0.00 0.00 43.02 42.00 2gw3 s PHE 87 CO 0.00 -0.93 -0.03 -1.54 -1.34 0.00 0.00 175.22 171.38 2gw3 s SER 88 N -2.96 1.68 0.05 1.98 1.04 -0.42 -0.98 113.70 114.09 2gw3 s SER 88 Ca 0.16 -1.15 -0.05 0.00 0.48 0.00 0.00 55.95 55.39 2gw3 s SER 88 Cb -0.00 0.03 -0.01 0.00 0.10 0.00 0.00 66.02 66.13 2gw3 s SER 88 CO 0.03 -0.47 0.09 -1.66 0.98 0.00 0.00 173.24 172.22 2gw3 s TRP 89 N -3.44 0.25 0.03 5.02 1.48 -0.25 -0.80 118.94 121.22 2gw3 s TRP 89 Ca 0.24 -0.62 0.04 0.00 -1.06 0.00 0.00 56.10 54.70 2gw3 s TRP 89 Cb 0.05 -0.17 -0.02 0.00 -1.16 0.00 0.00 33.47 32.17 2gw3 s TRP 89 CO 0.05 -0.41 -0.13 -1.21 -4.06 0.00 0.00 176.95 171.20 2gw3 s GLU 90 N -3.10 0.90 -0.06 3.25 2.02 -0.42 -1.71 118.70 119.59 2gw3 s GLU 90 Ca -0.01 -0.66 -0.05 0.00 0.02 0.00 0.00 54.97 54.27 2gw3 s GLU 90 Cb 0.02 -0.89 0.02 0.00 0.10 0.00 0.00 34.13 33.38 2gw3 s GLU 90 CO -0.07 0.22 0.16 0.50 0.02 0.00 0.00 175.26 176.09 2gw3 s ARG 91 N -0.91 0.18 -0.08 1.61 3.52 0.70 -0.43 118.95 123.54 2gw3 s ARG 91 Ca 0.02 0.22 0.00 0.00 -0.13 0.00 0.00 55.73 55.84 2gw3 s ARG 91 Cb -0.07 0.09 -0.03 0.00 -1.56 0.00 0.00 34.95 33.38 2gw3 s ARG 91 CO 0.01 -0.02 -0.07 -1.54 -0.81 0.00 0.00 175.30 172.86 2gw3 s SER 92 N 0.10 4.59 -0.25 -2.12 1.04 -0.30 -1.33 113.70 115.43 2gw3 s SER 92 Ca -0.00 -0.07 0.02 0.00 0.48 0.00 0.00 55.95 56.39 2gw3 s SER 92 Cb -0.01 -1.27 0.06 0.00 0.10 0.00 0.00 66.02 64.90 2gw3 s SER 92 CO 0.00 0.32 -0.10 -0.76 0.98 0.00 0.00 173.24 173.69 2gw3 s LEU 93 N -0.57 3.17 -0.36 2.42 1.02 0.09 -2.06 118.68 122.38 2gw3 s LEU 93 Ca 0.08 -1.31 -0.06 0.00 0.02 0.00 0.00 54.13 52.86 2gw3 s LEU 93 Cb -0.12 -1.45 0.06 0.00 0.02 0.00 0.00 46.19 44.70 2gw3 s LEU 93 CO 0.02 -0.20 0.15 -0.04 0.02 0.00 0.00 176.35 176.30 2gw3 s MET 94 N 1.19 2.54 0.33 1.70 -1.94 -0.28 -0.91 119.30 121.92 2gw3 s MET 94 Ca -0.08 -1.32 -0.16 0.00 -1.71 0.00 0.00 55.69 52.42 2gw3 s MET 94 Cb -0.19 -3.53 -0.09 0.00 2.01 0.00 0.00 34.83 33.02 2gw3 s MET 94 CO -0.06 -0.77 0.77 -0.06 -0.01 0.00 0.00 175.02 174.89 2gw3 s PHE 95 N 1.37 3.39 -0.05 -0.03 0.40 0.28 -1.09 117.98 122.25 2gw3 s PHE 95 Ca 0.00 1.29 0.29 0.00 -0.60 0.00 0.00 56.93 57.92 2gw3 s PHE 95 Cb -0.21 -2.59 1.41 0.00 0.51 0.00 0.00 43.02 42.14 2gw3 s PHE 95 CO 0.02 0.09 1.88 1.05 0.70 0.00 0.00 175.22 178.96 2gw3 h GLU 96 N 2.33 0.00 -0.67 0.44 4.11 -1.43 -2.00 114.58 117.37 2gw3 h GLU 96 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2gw3 h GLU 96 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2gw3 h GLU 96 CO 0.65 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.33 2gw3 n ASP 97 N -2.57 4.85 0.00 3.06 3.85 -1.26 -4.93 116.55 119.54 2gw3 n ASP 97 Ca -0.00 -2.45 0.00 0.00 -0.71 0.00 0.00 54.79 51.63 2gw3 n ASP 97 Cb 0.15 -0.59 0.00 0.00 -1.35 0.00 0.00 41.12 39.33 2gw3 n ASP 97 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2gw3 n GLY 98 N 1.17 2.18 3.77 6.12 0.00 -0.75 -4.70 105.19 112.99 2gw3 n GLY 98 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 2gw3 n GLY 98 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gw3 s GLY 99 N -2.48 2.85 -0.04 -0.02 0.00 -1.22 -4.71 107.32 101.70 2gw3 s GLY 99 Ca 0.00 1.44 0.01 0.00 0.00 0.00 0.00 44.72 46.17 2gw3 s GLY 99 CO 0.00 2.16 -0.04 0.14 0.00 0.00 0.00 173.10 175.36 2gw3 s VAL 100 N -0.96 0.52 0.12 1.40 1.01 -0.45 -0.56 120.40 121.49 2gw3 s VAL 100 Ca 0.53 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.46 2gw3 s VAL 100 Cb -0.44 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 2gw3 s VAL 100 CO 0.57 0.22 -0.17 0.00 0.00 0.00 0.00 175.10 175.72 2gw3 s ILE 102 N -1.75 1.22 0.03 0.00 1.01 0.11 -0.73 121.20 121.09 2gw3 s ILE 102 Ca 0.09 -0.54 0.05 0.00 0.00 0.00 0.00 60.65 60.25 2gw3 s ILE 102 Cb -0.07 -1.10 -0.02 0.00 0.01 0.00 0.00 42.46 41.28 2gw3 s ILE 102 CO 0.04 0.37 -0.15 0.00 0.00 0.00 0.00 174.94 175.21 2gw3 s ALA 103 N 0.52 1.26 0.04 9.38 0.00 -0.44 -1.04 121.76 131.48 2gw3 s ALA 103 Ca -0.13 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.04 2gw3 s ALA 103 Cb -0.15 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 2gw3 s ALA 103 CO 0.04 0.26 -0.04 0.95 0.00 0.00 0.00 175.76 176.97 2gw3 s THR 104 N -0.70 0.27 -0.13 0.00 -4.23 -0.35 -0.22 115.64 110.29 2gw3 s THR 104 Ca 0.03 -1.27 -0.07 0.00 -1.18 0.00 0.00 61.69 59.21 2gw3 s THR 104 Cb -0.07 -0.78 0.05 0.00 1.34 0.00 0.00 72.50 73.04 2gw3 s THR 104 CO 0.01 -0.64 0.31 0.21 -0.54 0.00 0.00 174.62 173.97 2gw3 s ASN 105 N -2.00 -0.36 -0.27 3.99 2.47 -0.69 -1.43 114.94 116.64 2gw3 s ASN 105 Ca -0.06 0.66 -0.06 0.00 0.42 0.00 0.00 52.86 53.82 2gw3 s ASN 105 Cb -0.04 0.55 0.00 0.00 -1.45 0.00 0.00 41.25 40.32 2gw3 s ASN 105 CO -0.03 -0.17 0.05 -0.62 -3.72 0.00 0.00 177.10 172.60 2gw3 s ASP 106 N 1.24 4.92 -0.19 -4.21 2.15 -0.68 -1.09 116.67 118.81 2gw3 s ASP 106 Ca -0.09 -0.61 -0.06 0.00 0.43 0.00 0.00 52.55 52.21 2gw3 s ASP 106 Cb -0.09 -1.84 -0.03 0.00 -0.30 0.00 0.00 42.92 40.65 2gw3 s ASP 106 CO -0.09 -0.14 0.03 -0.63 -0.17 0.00 0.00 175.17 174.17 2gw3 s ILE 107 N 1.49 4.40 0.35 4.11 1.01 -0.16 -1.84 121.20 130.57 2gw3 s ILE 107 Ca 0.03 -0.17 0.04 0.00 0.00 0.00 0.00 60.65 60.56 2gw3 s ILE 107 Cb -0.16 -2.99 -0.06 0.00 0.01 0.00 0.00 42.46 39.26 2gw3 s ILE 107 CO 0.01 0.44 0.06 0.42 0.00 0.00 0.00 174.94 175.87 2gw3 s THR 108 N 0.67 1.17 -0.04 2.92 -4.23 -0.32 -2.50 115.64 113.32 2gw3 s THR 108 Ca 0.02 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.54 2gw3 s THR 108 Cb -0.14 -2.72 0.01 0.00 1.34 0.00 0.00 72.50 70.99 2gw3 s THR 108 CO 0.02 0.00 -0.07 -0.22 -0.54 0.00 0.00 174.62 173.81 2gw3 s LEU 109 N -3.54 1.59 -0.12 4.79 2.96 -1.26 -0.32 118.68 122.78 2gw3 s LEU 109 Ca 0.33 -0.17 -0.02 0.00 -0.22 0.00 0.00 54.13 54.05 2gw3 s LEU 109 Cb 0.08 -0.52 0.04 0.00 0.50 0.00 0.00 46.19 46.29 2gw3 s LEU 109 CO 0.15 0.01 0.04 -0.75 -1.32 0.00 0.00 176.35 174.48 2gw3 s LYS 110 N 0.54 0.42 7.78 1.98 2.20 -0.51 -5.00 119.74 127.15 2gw3 s LYS 110 Ca -0.08 -0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.50 2gw3 s LYS 110 Cb -0.12 -1.36 0.00 0.00 -1.51 0.00 0.00 37.83 34.84 2gw3 s LYS 110 CO 0.01 -0.46 0.00 0.41 -0.36 0.00 0.00 175.35 174.94 2gw3 n GLY 111 N 5.17 3.40 1.46 5.54 0.00 -1.26 -1.45 105.19 118.05 2gw3 n GLY 111 Ca -0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 46.02 45.81 2gw3 n GLY 111 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gw3 n ASP 112 N 6.62 3.85 -4.20 1.61 8.00 -1.26 -4.96 116.55 126.22 2gw3 n ASP 112 Ca 0.00 -3.34 -0.32 0.00 0.71 0.00 0.00 54.79 51.84 2gw3 n ASP 112 Cb 0.00 -0.66 -0.17 0.00 -0.02 0.00 0.00 41.12 40.27 2gw3 n ASP 112 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2gw3 s THR 113 N -3.04 2.03 -0.05 -3.53 2.01 -0.53 -0.82 115.64 111.71 2gw3 s THR 113 Ca 0.49 -0.99 -0.22 0.00 0.31 0.00 0.00 61.69 61.28 2gw3 s THR 113 Cb 0.41 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 2gw3 s THR 113 CO 0.08 0.55 0.64 -0.36 -0.69 0.00 0.00 174.62 174.84 2gw3 s PHE 114 N 0.49 3.60 -0.09 4.92 0.40 0.10 -1.43 117.98 125.98 2gw3 s PHE 114 Ca -0.15 1.19 -0.02 0.00 -0.60 0.00 0.00 56.93 57.34 2gw3 s PHE 114 Cb -0.17 -2.72 -0.03 0.00 0.51 0.00 0.00 43.02 40.61 2gw3 s PHE 114 CO 0.06 0.18 0.01 -0.06 0.70 0.00 0.00 175.22 176.10 2gw3 s PHE 115 N 0.48 3.18 -0.11 0.36 0.08 0.57 -0.64 117.98 121.89 2gw3 s PHE 115 Ca 0.34 0.20 -0.00 0.00 0.12 0.00 0.00 56.93 57.59 2gw3 s PHE 115 Cb -0.18 -1.81 0.02 0.00 -0.57 0.00 0.00 43.02 40.49 2gw3 s PHE 115 CO 0.17 0.47 -0.09 -0.80 -0.10 0.00 0.00 175.22 174.87 2gw3 s ASN 116 N -0.84 2.21 -0.42 1.36 -0.87 -0.12 -1.17 114.94 115.09 2gw3 s ASN 116 Ca 0.13 -0.32 -0.09 0.00 -1.57 0.00 0.00 52.86 51.00 2gw3 s ASN 116 Cb -0.11 -0.88 0.08 0.00 -0.02 0.00 0.00 41.25 40.31 2gw3 s ASN 116 CO 0.02 -0.10 0.26 -0.75 -2.57 0.00 0.00 177.10 173.97 2gw3 s LYS 117 N 1.60 2.58 -0.05 -0.60 2.20 -0.76 -1.53 119.74 123.18 2gw3 s LYS 117 Ca 0.03 -1.48 0.02 0.00 -0.36 0.00 0.00 55.97 54.18 2gw3 s LYS 117 Cb -0.13 -3.78 -0.03 0.00 -1.51 0.00 0.00 37.83 32.38 2gw3 s LYS 117 CO -0.08 -0.97 -0.08 0.08 -0.36 0.00 0.00 175.35 173.94 2gw3 s VAL 118 N 1.42 3.57 -0.02 4.02 1.01 -0.13 -1.69 120.40 128.58 2gw3 s VAL 118 Ca 0.03 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.48 2gw3 s VAL 118 Cb -0.23 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 2gw3 s VAL 118 CO 0.02 0.56 -0.17 -0.60 0.00 0.00 0.00 175.10 174.91 2gw3 s ARG 119 N -0.91 1.44 -0.04 2.72 6.06 -0.52 -1.41 118.95 126.30 2gw3 s ARG 119 Ca 0.13 -0.60 -0.01 0.00 -2.50 0.00 0.00 55.73 52.75 2gw3 s ARG 119 Cb -0.11 -1.36 0.03 0.00 0.06 0.00 0.00 34.95 33.57 2gw3 s ARG 119 CO 0.02 0.33 0.04 0.12 -2.50 0.00 0.00 175.30 173.31 2gw3 s PHE 120 N -0.29 0.15 -0.04 5.12 5.36 -0.72 -1.21 117.98 126.35 2gw3 s PHE 120 Ca 0.04 0.15 0.03 0.00 -0.96 0.00 0.00 56.93 56.19 2gw3 s PHE 120 Cb -0.08 -0.45 0.00 0.00 -0.34 0.00 0.00 43.02 42.16 2gw3 s PHE 120 CO -0.00 -0.17 -0.12 -0.51 -1.46 0.00 0.00 175.22 172.95 2gw3 s ASP 121 N 1.75 1.62 -0.01 6.13 1.11 -0.20 -1.19 116.67 125.87 2gw3 s ASP 121 Ca -0.00 -0.26 0.02 0.00 0.18 0.00 0.00 52.55 52.48 2gw3 s ASP 121 Cb -0.12 -0.50 0.00 0.00 1.07 0.00 0.00 42.92 43.36 2gw3 s ASP 121 CO -0.03 0.09 -0.05 -0.83 1.18 0.00 0.00 175.17 175.52 2gw3 s GLY 122 N 0.24 0.30 0.16 0.21 0.00 -0.03 -0.71 107.32 107.49 2gw3 s GLY 122 Ca -0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 44.72 44.46 2gw3 s GLY 122 CO 0.02 -0.07 0.10 -1.34 0.00 0.00 0.00 173.10 171.81 2gw3 s VAL 123 N 0.07 0.06 -1.75 1.40 -7.23 -0.07 -0.57 120.40 112.32 2gw3 s VAL 123 Ca -0.00 -1.92 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 2gw3 s VAL 123 Cb -0.05 -2.22 0.00 0.00 0.56 0.00 0.00 36.38 34.67 2gw3 s VAL 123 CO -0.00 -0.27 0.00 0.59 -0.31 0.00 0.00 175.10 175.11 2gw3 n ASN 124 N -0.17 -5.17 -4.71 4.85 5.03 -1.26 -1.34 115.26 112.49 2gw3 n ASN 124 Ca -0.02 0.27 -0.42 0.00 0.87 0.00 0.00 54.58 55.27 2gw3 n ASN 124 Cb 0.65 -4.24 -0.03 0.00 -1.02 0.00 0.00 39.78 35.14 2gw3 n ASN 124 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 2gw3 s PHE 125 N -2.75 3.64 0.29 3.10 0.40 -1.26 -3.43 117.98 117.98 2gw3 s PHE 125 Ca 0.00 1.68 -0.30 0.00 -0.60 0.00 0.00 56.93 57.71 2gw3 s PHE 125 Cb 0.00 -3.13 -0.11 0.00 0.51 0.00 0.00 43.02 40.28 2gw3 s PHE 125 CO 0.00 -0.06 1.59 -2.14 0.70 0.00 0.00 175.22 175.31 2gw3 s PRO 126 N 1.08 4.12 0.55 0.24 0.02 -1.26 -4.87 135.00 134.88 2gw3 s PRO 126 Ca 0.52 2.58 0.24 0.00 0.02 0.00 0.00 61.00 64.36 2gw3 s PRO 126 Cb -0.21 -3.02 1.50 0.00 0.02 0.00 0.00 34.50 32.78 2gw3 s PRO 126 CO 0.27 -0.63 2.10 -1.00 -0.33 0.00 0.00 177.00 177.41 2gw3 h PRO 127 N 4.81 0.00 -0.52 5.54 0.13 -1.99 -0.88 132.00 139.10 2gw3 h PRO 127 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2gw3 h PRO 127 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2gw3 h PRO 127 CO 0.79 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.65 2gw3 n ASN 128 N -4.16 3.71 -4.75 1.44 3.02 -1.26 -4.44 115.26 108.82 2gw3 n ASN 128 Ca 0.02 -2.19 -0.29 0.00 -0.03 0.00 0.00 54.58 52.09 2gw3 n ASN 128 Cb 0.31 -0.41 0.13 0.00 -0.61 0.00 0.00 39.78 39.20 2gw3 n ASN 128 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2gw3 s GLY 129 N -1.07 1.59 0.53 7.41 0.00 -0.34 -4.81 107.32 110.64 2gw3 s GLY 129 Ca 0.38 -0.62 0.22 0.00 0.00 0.00 0.00 44.72 44.71 2gw3 s GLY 129 CO 0.22 -0.05 2.15 -0.56 0.00 0.00 0.00 173.10 174.86 2gw3 h PRO 130 N -1.42 0.00 0.05 2.90 0.13 -1.94 -1.17 132.00 130.55 2gw3 h PRO 130 Ca -0.49 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2gw3 h PRO 130 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2gw3 h PRO 130 CO 0.61 0.05 -0.03 0.28 -0.23 0.00 0.00 178.00 178.68 2gw3 h VAL 131 N 0.00 1.25 0.00 1.56 2.07 -1.93 0.24 116.25 119.43 2gw3 h VAL 131 Ca -0.00 -1.58 0.00 0.00 0.82 0.00 0.00 66.70 65.94 2gw3 h VAL 131 Cb 0.11 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2gw3 h VAL 131 CO 0.01 0.36 0.00 0.24 0.02 0.00 0.00 177.57 178.20 2gw3 h MET 132 N -0.85 0.00 -0.39 1.57 2.86 -1.76 0.72 114.93 117.08 2gw3 h MET 132 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2gw3 h MET 132 Cb 0.65 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.31 2gw3 h MET 132 CO 0.01 0.00 0.00 1.04 1.06 0.00 0.00 176.91 179.02 2gw3 n GLN 133 N -3.09 2.41 -3.66 1.72 1.13 -0.45 -4.60 117.38 110.84 2gw3 n GLN 133 Ca 0.01 -2.14 -0.24 0.00 -1.94 0.00 0.00 57.00 52.69 2gw3 n GLN 133 Cb 0.32 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.21 2gw3 n GLN 133 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2gw3 n LYS 134 N 1.33 -3.27 -0.37 -1.09 5.02 -0.88 -4.91 118.16 113.98 2gw3 n LYS 134 Ca 0.19 0.58 0.08 0.00 -2.02 0.00 0.00 58.31 57.14 2gw3 n LYS 134 Cb 0.56 -4.88 0.25 0.00 -0.02 0.00 0.00 35.03 30.95 2gw3 n LYS 134 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2gw3 n LYS 135 N -4.12 3.11 -3.28 1.97 4.76 0.02 -4.97 118.16 115.65 2gw3 n LYS 135 Ca -0.21 -2.51 -0.32 0.00 -2.87 0.00 0.00 58.31 52.41 2gw3 n LYS 135 Cb 0.64 -1.59 -0.05 0.00 -1.84 0.00 0.00 35.03 32.20 2gw3 n LYS 135 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2gw3 s THR 136 N -1.57 4.85 -0.12 -0.18 -4.23 -1.26 -1.28 115.64 111.86 2gw3 s THR 136 Ca 0.38 0.59 0.01 0.00 -1.18 0.00 0.00 61.69 61.48 2gw3 s THR 136 Cb 0.24 -3.63 -0.08 0.00 1.34 0.00 0.00 72.50 70.36 2gw3 s THR 136 CO 0.19 -0.17 -0.11 0.18 -0.54 0.00 0.00 174.62 174.18 2gw3 n LEU 137 N -0.38 2.95 -3.61 4.79 4.77 0.64 -4.84 117.00 121.33 2gw3 n LEU 137 Ca 0.01 -0.06 -0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2gw3 n LEU 137 Cb 0.53 -0.41 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 2gw3 n LEU 137 CO 0.44 0.69 1.09 -1.59 -1.33 0.00 0.00 177.39 176.70 2gw3 s LYS 138 N -2.24 0.25 0.14 3.23 -2.85 -1.20 -4.99 119.74 112.08 2gw3 s LYS 138 Ca -0.16 -0.12 -0.18 0.00 -1.00 0.00 0.00 55.97 54.50 2gw3 s LYS 138 Cb 0.04 0.10 -0.07 0.00 -2.06 0.00 0.00 37.83 35.84 2gw3 s LYS 138 CO 0.27 -0.11 0.62 -1.58 0.10 0.00 0.00 175.35 174.65 2gw3 s TRP 139 N -2.30 3.71 0.74 1.78 0.52 -1.26 -0.41 118.94 121.71 2gw3 s TRP 139 Ca 0.13 1.27 -0.11 0.00 0.02 0.00 0.00 56.10 57.40 2gw3 s TRP 139 Cb 0.03 -2.51 0.03 0.00 -1.15 0.00 0.00 33.47 29.87 2gw3 s TRP 139 CO -0.04 0.46 1.09 -1.21 0.02 0.00 0.00 176.95 177.27 2gw3 s GLU 140 N -1.62 2.61 1.02 4.98 0.41 -0.30 -4.81 118.70 121.00 2gw3 s GLU 140 Ca 0.36 0.57 -0.11 0.00 -0.41 0.00 0.00 54.97 55.38 2gw3 s GLU 140 Cb -0.18 -1.98 0.21 0.00 -1.78 0.00 0.00 34.13 30.40 2gw3 s GLU 140 CO 0.20 -1.23 1.09 0.00 -0.49 0.00 0.00 175.26 174.82 2gw3 s ALA 141 N -3.26 0.60 0.25 5.21 0.00 -1.26 -4.78 121.76 118.53 2gw3 s ALA 141 Ca 0.59 0.20 -0.11 0.00 0.00 0.00 0.00 51.96 52.64 2gw3 s ALA 141 Cb -0.12 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 2gw3 s ALA 141 CO 0.53 -3.20 0.45 -1.54 0.00 0.00 0.00 175.76 171.99 2gw3 s SER 142 N -2.69 0.02 -0.17 0.00 1.04 -0.36 -4.90 113.70 106.64 2gw3 s SER 142 Ca 0.67 -1.03 -0.01 0.00 0.48 0.00 0.00 55.95 56.06 2gw3 s SER 142 Cb -0.23 0.58 0.05 0.00 0.10 0.00 0.00 66.02 66.51 2gw3 s SER 142 CO 0.61 -1.13 -0.01 -0.89 0.98 0.00 0.00 173.24 172.79 2gw3 s THR 143 N -3.92 0.86 -0.01 2.02 2.01 -1.26 -0.37 115.64 114.97 2gw3 s THR 143 Ca 0.25 -0.59 -0.25 0.00 0.31 0.00 0.00 61.69 61.41 2gw3 s THR 143 Cb 0.00 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 2gw3 s THR 143 CO 0.10 -0.01 0.75 -0.70 -0.69 0.00 0.00 174.62 174.07 2gw3 s GLU 144 N 1.73 4.47 -0.36 4.92 2.12 0.27 -4.56 118.70 127.29 2gw3 s GLU 144 Ca -0.00 1.01 -0.15 0.00 0.36 0.00 0.00 54.97 56.19 2gw3 s GLU 144 Cb -0.16 -3.41 -0.01 0.00 0.26 0.00 0.00 34.13 30.82 2gw3 s GLU 144 CO -0.07 0.16 0.33 0.15 -0.54 0.00 0.00 175.26 175.29 2gw3 s LYS 145 N 0.39 3.41 -0.20 4.30 3.01 -0.15 -1.00 119.74 129.50 2gw3 s LYS 145 Ca 0.39 -0.61 -0.10 0.00 -1.01 0.00 0.00 55.97 54.64 2gw3 s LYS 145 Cb -0.19 -3.85 -0.05 0.00 -1.01 0.00 0.00 37.83 32.73 2gw3 s LYS 145 CO 0.21 -0.57 0.13 -1.64 0.51 0.00 0.00 175.35 173.99 2gw3 s MET 146 N 1.90 4.16 0.20 1.68 -1.94 0.08 -0.88 119.30 124.51 2gw3 s MET 146 Ca 0.09 -0.23 -0.23 0.00 -1.71 0.00 0.00 55.69 53.61 2gw3 s MET 146 Cb -0.17 -3.42 0.05 0.00 2.01 0.00 0.00 34.83 33.30 2gw3 s MET 146 CO 0.11 0.28 0.81 1.52 -0.01 0.00 0.00 175.02 177.73 2gw3 s TYR 147 N 0.42 -0.21 -0.07 -0.03 -0.85 -0.02 -1.30 117.35 115.30 2gw3 s TYR 147 Ca 0.08 -0.15 -0.14 0.00 -0.52 0.00 0.00 57.07 56.33 2gw3 s TYR 147 Cb -0.11 0.66 -0.05 0.00 0.38 0.00 0.00 41.96 42.83 2gw3 s TYR 147 CO -0.01 -1.00 0.37 -0.51 -1.52 0.00 0.00 175.55 172.87 2gw3 s LEU 148 N -2.89 4.38 -0.21 -3.49 1.43 -1.26 0.12 118.68 116.76 2gw3 s LEU 148 Ca 0.10 0.78 0.01 0.00 -1.03 0.00 0.00 54.13 54.00 2gw3 s LEU 148 Cb -0.03 -2.51 0.05 0.00 0.03 0.00 0.00 46.19 43.73 2gw3 s LEU 148 CO 0.02 0.22 -0.10 -0.13 0.23 0.00 0.00 176.35 176.59 2gw3 s ARG 149 N -0.41 2.06 -1.50 1.70 0.52 -0.05 -4.69 118.95 116.58 2gw3 s ARG 149 Ca 0.22 -0.94 -0.10 0.00 -0.52 0.00 0.00 55.73 54.38 2gw3 s ARG 149 Cb -0.15 -2.52 0.07 0.00 0.52 0.00 0.00 34.95 32.87 2gw3 s ARG 149 CO 0.10 -0.46 0.83 -3.47 0.02 0.00 0.00 175.30 172.32 2gw3 n ASP 150 N 4.64 -3.34 0.00 0.23 2.03 -1.26 -1.37 116.55 117.47 2gw3 n ASP 150 Ca -0.15 -0.85 0.00 0.00 0.52 0.00 0.00 54.79 54.31 2gw3 n ASP 150 Cb 0.46 -3.64 0.00 0.00 -0.72 0.00 0.00 41.12 37.22 2gw3 n ASP 150 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2gw3 n GLY 151 N -1.66 0.86 3.46 0.27 0.00 -1.26 -5.02 105.19 101.84 2gw3 n GLY 151 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 2gw3 n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gw3 s VAL 152 N -3.51 3.74 0.13 1.61 1.01 -0.47 -5.04 120.40 117.87 2gw3 s VAL 152 Ca 0.00 -0.40 -0.31 0.00 0.00 0.00 0.00 61.98 61.26 2gw3 s VAL 152 Cb 0.00 -2.64 -0.09 0.00 0.00 0.00 0.00 36.38 33.64 2gw3 s VAL 152 CO 0.00 0.48 1.61 -0.22 0.00 0.00 0.00 175.10 176.97 2gw3 s LEU 153 N 0.53 4.37 -0.01 3.92 2.96 -1.25 -0.87 118.68 128.32 2gw3 s LEU 153 Ca -0.04 2.58 0.04 0.00 -0.22 0.00 0.00 54.13 56.49 2gw3 s LEU 153 Cb -0.14 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 42.95 2gw3 s LEU 153 CO 0.03 -0.85 -0.12 -0.89 -1.32 0.00 0.00 176.35 173.20 2gw3 s THR 154 N 1.70 0.91 -0.17 3.68 2.01 0.12 -0.81 115.64 123.09 2gw3 s THR 154 Ca 0.72 -0.49 0.01 0.00 0.31 0.00 0.00 61.69 62.23 2gw3 s THR 154 Cb -0.43 -0.76 0.02 0.00 0.01 0.00 0.00 72.50 71.34 2gw3 s THR 154 CO 0.32 0.26 -0.19 -0.83 -0.69 0.00 0.00 174.62 173.49 2gw3 s GLY 155 N -0.26 1.33 -0.10 4.40 0.00 0.25 -0.84 107.32 112.10 2gw3 s GLY 155 Ca 0.04 -1.15 -0.02 0.00 0.00 0.00 0.00 44.72 43.59 2gw3 s GLY 155 CO -0.00 0.33 -0.00 0.99 0.00 0.00 0.00 173.10 174.42 2gw3 s ASP 156 N 1.33 5.20 -0.01 1.64 -0.00 -0.05 -1.02 116.67 123.76 2gw3 s ASP 156 Ca 0.05 0.11 -0.01 0.00 -0.00 0.00 0.00 52.55 52.70 2gw3 s ASP 156 Cb -0.13 -1.53 0.00 0.00 -0.00 0.00 0.00 42.92 41.26 2gw3 s ASP 156 CO -0.13 0.34 0.03 -0.63 -0.00 0.00 0.00 175.17 174.78 2gw3 s ILE 157 N -0.66 -0.00 -0.72 0.77 1.01 -0.40 -0.98 121.20 120.22 2gw3 s ILE 157 Ca 0.11 0.01 -0.21 0.00 0.00 0.00 0.00 60.65 60.55 2gw3 s ILE 157 Cb -0.12 -0.05 0.09 0.00 0.01 0.00 0.00 42.46 42.40 2gw3 s ILE 157 CO 0.02 0.00 0.95 -0.89 0.00 0.00 0.00 174.94 175.02 2gw3 s THR 158 N 0.04 4.54 0.20 2.92 2.01 -1.26 -1.56 115.64 122.54 2gw3 s THR 158 Ca -0.00 -0.83 0.04 0.00 0.31 0.00 0.00 61.69 61.21 2gw3 s THR 158 Cb -0.01 -4.67 -0.03 0.00 0.01 0.00 0.00 72.50 67.81 2gw3 s THR 158 CO -0.00 -1.40 0.29 -0.04 -0.69 0.00 0.00 174.62 172.78 2gw3 s MET 159 N 3.38 3.32 -0.15 4.92 -1.94 -0.16 -4.78 119.30 123.89 2gw3 s MET 159 Ca 0.22 -0.75 -0.11 0.00 -1.71 0.00 0.00 55.69 53.35 2gw3 s MET 159 Cb -0.15 -2.85 0.05 0.00 2.01 0.00 0.00 34.83 33.88 2gw3 s MET 159 CO 0.04 0.47 0.38 0.00 -0.01 0.00 0.00 175.02 175.90 2gw3 s ALA 160 N -1.88 -0.95 -0.18 3.03 0.00 -1.26 -1.52 121.76 119.00 2gw3 s ALA 160 Ca 0.34 1.26 -0.10 0.00 0.00 0.00 0.00 51.96 53.45 2gw3 s ALA 160 Cb -0.10 -0.75 -0.05 0.00 0.00 0.00 0.00 23.12 22.22 2gw3 s ALA 160 CO 0.28 -0.22 0.17 -0.51 0.00 0.00 0.00 175.76 175.48 2gw3 s LEU 161 N 0.80 4.24 0.08 0.00 1.43 0.19 -1.16 118.68 124.26 2gw3 s LEU 161 Ca -0.05 0.32 -0.28 0.00 -1.03 0.00 0.00 54.13 53.09 2gw3 s LEU 161 Cb -0.06 -2.15 -0.06 0.00 0.03 0.00 0.00 46.19 43.96 2gw3 s LEU 161 CO -0.06 0.19 0.87 -0.22 0.23 0.00 0.00 176.35 177.36 2gw3 s LEU 162 N 0.21 4.47 0.32 1.79 2.96 0.45 -0.91 118.68 127.98 2gw3 s LEU 162 Ca 0.11 1.63 0.08 0.00 -0.22 0.00 0.00 54.13 55.73 2gw3 s LEU 162 Cb -0.12 -3.42 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 2gw3 s LEU 162 CO -0.00 -0.03 0.11 -0.76 -1.32 0.00 0.00 176.35 174.35 2gw3 s LEU 163 N 0.00 3.27 0.64 -0.68 1.43 0.56 -0.26 118.68 123.64 2gw3 s LEU 163 Ca 0.43 -0.73 -0.18 0.00 -1.03 0.00 0.00 54.13 52.62 2gw3 s LEU 163 Cb -0.22 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 2gw3 s LEU 163 CO 0.27 -0.22 1.29 0.29 0.23 0.00 0.00 176.35 178.21 2gw3 n LYS 164 N -1.09 1.16 -0.47 1.70 5.02 -0.40 -2.45 118.16 121.62 2gw3 n LYS 164 Ca -0.04 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 2gw3 n LYS 164 Cb 0.61 -2.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.09 2gw3 n LYS 164 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2gw3 n GLY 165 N 0.92 0.75 3.52 0.72 0.00 -1.26 -4.37 105.19 105.47 2gw3 n GLY 165 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 2gw3 n GLY 165 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2gw3 n ASP 166 N 0.00 -1.77 -4.22 1.61 2.03 -1.03 -5.03 116.55 108.15 2gw3 n ASP 166 Ca 0.00 -0.69 -0.13 0.00 0.52 0.00 0.00 54.79 54.50 2gw3 n ASP 166 Cb 0.00 -4.77 -0.10 0.00 -0.72 0.00 0.00 41.12 35.53 2gw3 n ASP 166 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2gw3 s VAL 167 N -3.46 0.83 0.18 5.18 -7.23 -1.23 -4.99 120.40 109.67 2gw3 s VAL 167 Ca 0.00 -1.99 0.08 0.00 -1.81 0.00 0.00 61.98 58.27 2gw3 s VAL 167 Cb -0.00 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 2gw3 s VAL 167 CO 0.76 -0.67 -0.05 -1.00 -0.31 0.00 0.00 175.10 173.83 2gw3 s HIS 168 N -3.55 2.72 -0.18 2.82 3.76 -1.26 -0.32 115.29 119.28 2gw3 s HIS 168 Ca 0.18 -0.19 -0.01 0.00 -0.15 0.00 0.00 55.06 54.89 2gw3 s HIS 168 Cb 0.05 -1.32 0.05 0.00 1.11 0.00 0.00 32.58 32.47 2gw3 s HIS 168 CO 0.00 0.52 -0.02 -0.47 -0.85 0.00 0.00 174.74 173.93 2gw3 s TYR 169 N -1.74 1.48 0.30 1.40 6.04 -0.08 -4.94 117.35 119.79 2gw3 s TYR 169 Ca 0.26 -1.03 -0.22 0.00 0.04 0.00 0.00 57.07 56.12 2gw3 s TYR 169 Cb -0.09 -1.21 -0.09 0.00 -1.04 0.00 0.00 41.96 39.53 2gw3 s TYR 169 CO 0.17 -0.62 0.84 1.03 -1.54 0.00 0.00 175.55 175.43 2gw3 s ARG 170 N 1.71 4.34 -0.04 4.97 1.81 -1.26 -0.64 118.95 129.84 2gw3 s ARG 170 Ca -0.01 1.05 -0.02 0.00 -1.72 0.00 0.00 55.73 55.03 2gw3 s ARG 170 Cb -0.16 -2.71 0.02 0.00 -0.45 0.00 0.00 34.95 31.65 2gw3 s ARG 170 CO -0.07 0.27 0.08 0.00 -0.68 0.00 0.00 175.30 174.90 2gw3 s ASP 172 N 0.68 5.95 -0.08 0.00 1.01 -0.25 -0.99 116.67 122.98 2gw3 s ASP 172 Ca -0.05 0.15 -0.01 0.00 0.71 0.00 0.00 52.55 53.35 2gw3 s ASP 172 Cb -0.07 -2.04 -0.03 0.00 1.01 0.00 0.00 42.92 41.79 2gw3 s ASP 172 CO -0.03 0.16 -0.02 -0.36 0.21 0.00 0.00 175.17 175.14 2gw3 s PHE 173 N 0.44 3.10 -0.08 4.23 2.99 -0.60 -1.13 117.98 126.93 2gw3 s PHE 173 Ca 0.06 0.14 -0.01 0.00 0.00 0.00 0.00 56.93 57.11 2gw3 s PHE 173 Cb -0.12 -1.78 0.03 0.00 0.00 0.00 0.00 43.02 41.15 2gw3 s PHE 173 CO -0.00 0.42 -0.01 0.50 -0.00 0.00 0.00 175.22 176.13 2gw3 s ARG 174 N -0.82 0.73 -0.08 0.44 3.52 -0.88 -1.28 118.95 120.59 2gw3 s ARG 174 Ca 0.12 0.05 0.04 0.00 -0.13 0.00 0.00 55.73 55.81 2gw3 s ARG 174 Cb -0.11 -1.08 -0.02 0.00 -1.56 0.00 0.00 34.95 32.18 2gw3 s ARG 174 CO 0.02 -0.31 -0.19 0.99 -0.81 0.00 0.00 175.30 175.01 2gw3 s THR 175 N 1.94 2.62 -0.08 4.11 2.01 -0.19 -1.14 115.64 124.90 2gw3 s THR 175 Ca 0.05 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.21 2gw3 s THR 175 Cb -0.12 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 2gw3 s THR 175 CO -0.06 0.56 -0.11 0.42 -0.69 0.00 0.00 174.62 174.75 2gw3 s THR 176 N -0.17 3.34 -0.11 -0.82 -4.23 0.43 -0.59 115.64 113.50 2gw3 s THR 176 Ca -0.02 -0.60 0.01 0.00 -1.18 0.00 0.00 61.69 59.90 2gw3 s THR 176 Cb -0.14 -2.36 -0.01 0.00 1.34 0.00 0.00 72.50 71.33 2gw3 s THR 176 CO 0.04 0.57 -0.16 -0.31 -0.54 0.00 0.00 174.62 174.22 2gw3 s TYR 177 N -0.47 2.73 -0.17 3.99 2.02 0.01 -1.30 117.35 124.16 2gw3 s TYR 177 Ca 0.06 -0.69 -0.02 0.00 -0.37 0.00 0.00 57.07 56.06 2gw3 s TYR 177 Cb -0.12 -1.78 0.05 0.00 -0.40 0.00 0.00 41.96 39.71 2gw3 s TYR 177 CO 0.02 -0.22 -0.00 0.15 -1.57 0.00 0.00 175.55 173.93 2gw3 s LYS 178 N 0.23 0.95 0.39 -0.62 1.02 0.02 -3.86 119.74 117.87 2gw3 s LYS 178 Ca -0.10 -0.42 -0.20 0.00 0.02 0.00 0.00 55.97 55.26 2gw3 s LYS 178 Cb -0.16 -1.95 -0.10 0.00 -0.52 0.00 0.00 37.83 35.09 2gw3 s LYS 178 CO 0.06 -0.53 0.91 0.45 -0.92 0.00 0.00 175.35 175.32 2gw3 s SER 179 N 1.77 6.96 0.00 2.83 0.15 -1.26 -1.30 113.70 122.85 2gw3 s SER 179 Ca -0.00 1.63 0.19 0.00 0.70 0.00 0.00 55.95 58.47 2gw3 s SER 179 Cb -0.16 -2.51 0.03 0.00 -1.71 0.00 0.00 66.02 61.67 2gw3 s SER 179 CO -0.07 -0.29 0.99 0.54 1.20 0.00 0.00 173.24 175.61 2gw3 n ARG 180 N -0.42 1.55 -2.92 5.44 1.74 -0.19 -4.95 116.66 116.91 2gw3 n ARG 180 Ca 0.06 -1.07 -0.40 0.00 -0.77 0.00 0.00 57.85 55.67 2gw3 n ARG 180 Cb 0.53 -1.36 -0.05 0.00 -1.02 0.00 0.00 32.46 30.56 2gw3 n ARG 180 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2gw3 s GLN 181 N -2.04 4.52 0.44 5.56 2.00 -1.25 -4.89 119.66 124.00 2gw3 s GLN 181 Ca 0.17 1.14 -0.21 0.00 -2.00 0.00 0.00 55.36 54.45 2gw3 s GLN 181 Cb 0.15 -3.39 -0.10 0.00 0.80 0.00 0.00 33.01 30.47 2gw3 s GLN 181 CO 0.43 0.19 0.99 -1.83 -0.50 0.00 0.00 175.29 174.56 2gw3 s GLU 182 N 0.25 4.10 -1.13 1.67 1.03 -1.26 -4.03 118.70 119.33 2gw3 s GLU 182 Ca 0.41 1.26 0.00 0.00 0.03 0.00 0.00 54.97 56.67 2gw3 s GLU 182 Cb -0.20 -2.23 0.00 0.00 -0.80 0.00 0.00 34.13 30.89 2gw3 s GLU 182 CO 0.24 -0.16 0.00 0.41 -1.33 0.00 0.00 175.26 174.42 2gw3 n GLY 183 N -0.31 1.12 3.75 -3.83 0.00 -1.26 -4.72 105.19 99.94 2gw3 n GLY 183 Ca 0.07 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 2gw3 n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gw3 s VAL 184 N -2.41 2.76 -0.21 1.61 1.01 -1.26 -4.31 120.40 117.60 2gw3 s VAL 184 Ca 0.00 0.68 -0.25 0.00 0.00 0.00 0.00 61.98 62.42 2gw3 s VAL 184 Cb 0.00 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 2gw3 s VAL 184 CO 0.00 0.13 0.82 -0.75 0.00 0.00 0.00 175.10 175.30 2gw3 s LYS 185 N -0.90 4.24 0.23 2.72 2.20 -1.26 -5.03 119.74 121.94 2gw3 s LYS 185 Ca 0.55 0.96 -0.28 0.00 -0.36 0.00 0.00 55.97 56.83 2gw3 s LYS 185 Cb -0.40 -3.61 -0.09 0.00 -1.51 0.00 0.00 37.83 32.22 2gw3 s LYS 185 CO 0.46 -0.41 0.90 -0.51 -0.36 0.00 0.00 175.35 175.43 2gw3 s LEU 186 N 2.46 4.60 0.62 5.43 1.43 -1.26 -4.60 118.68 127.37 2gw3 s LEU 186 Ca 0.36 1.85 -0.07 0.00 -1.03 0.00 0.00 54.13 55.25 2gw3 s LEU 186 Cb -0.16 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.51 2gw3 s LEU 186 CO 0.10 0.15 0.94 -2.16 0.23 0.00 0.00 176.35 175.61 2gw3 s PRO 187 N -1.26 2.80 0.00 1.29 0.04 -1.26 -4.85 135.00 131.76 2gw3 s PRO 187 Ca 0.40 0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.45 2gw3 s PRO 187 Cb -0.24 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.07 2gw3 s PRO 187 CO 0.30 -0.82 0.00 0.41 0.04 0.00 0.00 177.00 176.93 2gw3 n GLY 188 N -2.68 0.88 3.71 0.56 0.00 -1.26 -4.82 105.19 101.57 2gw3 n GLY 188 Ca 0.05 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 2gw3 n GLY 188 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2gw3 s TYR 189 N 0.43 2.69 0.09 1.61 5.04 -1.26 -4.72 117.35 121.23 2gw3 s TYR 189 Ca 0.00 0.26 -0.02 0.00 -2.44 0.00 0.00 57.07 54.86 2gw3 s TYR 189 Cb 0.00 -4.13 0.01 0.00 0.35 0.00 0.00 41.96 38.19 2gw3 s TYR 189 CO 0.00 -4.41 0.16 -2.39 -1.34 0.00 0.00 175.55 167.57 2gw3 n HIS 190 N 4.50 -1.09 -4.21 4.97 1.44 -0.42 -5.00 115.22 115.41 2gw3 n HIS 190 Ca 0.16 -0.47 -0.16 0.00 -2.01 0.00 0.00 57.72 55.24 2gw3 n HIS 190 Cb 0.36 0.18 -0.11 0.00 0.12 0.00 0.00 29.99 30.55 2gw3 n HIS 190 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2gw3 s PHE 191 N -6.42 1.25 -0.15 -1.40 0.40 -0.43 -0.74 117.98 110.48 2gw3 s PHE 191 Ca 0.05 -0.59 -0.02 0.00 -0.60 0.00 0.00 56.93 55.76 2gw3 s PHE 191 Cb -0.01 -0.66 0.05 0.00 0.51 0.00 0.00 43.02 42.91 2gw3 s PHE 191 CO 0.03 0.08 0.02 0.08 0.70 0.00 0.00 175.22 176.14 2gw3 s VAL 192 N -2.22 0.48 0.31 -0.44 1.01 -0.17 -0.80 120.40 118.58 2gw3 s VAL 192 Ca 0.07 -0.34 -0.27 0.00 0.00 0.00 0.00 61.98 61.44 2gw3 s VAL 192 Cb -0.04 -0.88 -0.09 0.00 0.00 0.00 0.00 36.38 35.37 2gw3 s VAL 192 CO 0.02 -0.05 1.00 -1.81 0.00 0.00 0.00 175.10 174.26 2gw3 s ASP 193 N 1.89 7.26 0.08 3.32 1.01 0.58 -0.57 116.67 130.24 2gw3 s ASP 193 Ca 0.01 2.01 0.03 0.00 0.71 0.00 0.00 52.55 55.31 2gw3 s ASP 193 Cb -0.15 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.14 2gw3 s ASP 193 CO -0.07 -0.13 -0.09 -1.00 0.21 0.00 0.00 175.17 174.09 2gw3 s HIS 194 N -1.43 0.93 -0.23 4.23 3.76 0.50 -1.18 115.29 121.86 2gw3 s HIS 194 Ca 0.49 -0.67 -0.03 0.00 -0.15 0.00 0.00 55.06 54.70 2gw3 s HIS 194 Cb -0.24 -0.52 0.12 0.00 1.11 0.00 0.00 32.58 33.05 2gw3 s HIS 194 CO 0.30 -0.05 0.35 0.00 -0.85 0.00 0.00 174.74 174.49 2gw3 s ILE 196 N 2.51 3.92 -0.07 0.00 2.07 -1.26 -1.41 121.20 126.96 2gw3 s ILE 196 Ca 0.11 -0.40 -0.06 0.00 -1.41 0.00 0.00 60.65 58.89 2gw3 s ILE 196 Cb -0.15 -2.62 0.02 0.00 0.13 0.00 0.00 42.46 39.84 2gw3 s ILE 196 CO -0.15 0.60 0.19 -0.44 -1.91 0.00 0.00 174.94 173.23 2gw3 s SER 197 N -0.81 -0.19 -0.41 4.50 0.01 0.33 -4.64 113.70 112.49 2gw3 s SER 197 Ca 0.12 0.38 -0.24 0.00 1.31 0.00 0.00 55.95 57.52 2gw3 s SER 197 Cb -0.11 0.36 0.02 0.00 0.21 0.00 0.00 66.02 66.50 2gw3 s SER 197 CO 0.02 -0.08 0.86 -0.63 0.41 0.00 0.00 173.24 173.81 2gw3 s ILE 198 N 0.30 4.61 0.15 1.44 1.01 -1.26 -0.88 121.20 126.58 2gw3 s ILE 198 Ca -0.02 0.83 -0.05 0.00 0.00 0.00 0.00 60.65 61.42 2gw3 s ILE 198 Cb -0.03 -4.32 -0.12 0.00 0.01 0.00 0.00 42.46 38.00 2gw3 s ILE 198 CO -0.01 -0.62 1.40 -0.07 0.00 0.00 0.00 174.94 175.64 2gw3 h LEU 199 N 10.12 0.63 -7.11 2.97 3.38 -0.93 -3.48 115.31 120.90 2gw3 h LEU 199 Ca -0.24 -0.41 0.09 0.00 0.09 0.00 0.00 57.88 57.41 2gw3 h LEU 199 Cb 1.08 -0.19 -0.13 0.00 0.09 0.00 0.00 40.66 41.52 2gw3 h LEU 199 CO 0.97 1.16 0.42 0.00 0.09 0.00 0.00 178.44 181.08 2gw3 s ARG 200 N -3.67 1.00 0.06 1.13 1.70 -1.21 -5.01 118.95 112.94 2gw3 s ARG 200 Ca -0.07 -0.40 -0.26 0.00 -0.47 0.00 0.00 55.73 54.52 2gw3 s ARG 200 Cb 0.10 0.44 0.09 0.00 -0.57 0.00 0.00 34.95 35.00 2gw3 s ARG 200 CO 0.86 -0.44 0.75 -3.38 -1.08 0.00 0.00 175.30 172.01 2gw3 s HIS 201 N -3.31 -0.46 0.83 5.89 -3.43 -1.26 -0.95 115.29 112.59 2gw3 s HIS 201 Ca 0.05 0.36 -0.08 0.00 -0.80 0.00 0.00 55.06 54.59 2gw3 s HIS 201 Cb -0.01 0.53 0.15 0.00 -1.43 0.00 0.00 32.58 31.82 2gw3 s HIS 201 CO -0.08 -0.67 1.14 0.16 -2.00 0.00 0.00 174.74 173.29 2gw3 s ASP 202 N -2.42 3.84 0.19 7.38 3.84 -0.66 -4.94 116.67 123.91 2gw3 s ASP 202 Ca 0.02 0.00 -0.19 0.00 -0.00 0.00 0.00 52.55 52.38 2gw3 s ASP 202 Cb -0.01 -0.26 0.16 0.00 -1.38 0.00 0.00 42.92 41.43 2gw3 s ASP 202 CO -0.09 -2.23 1.59 0.50 -0.00 0.00 0.00 175.17 174.95 2gw3 h LYS 203 N -1.04 -0.12 -0.59 2.11 1.63 -2.02 -2.31 116.57 114.23 2gw3 h LYS 203 Ca -0.41 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.40 2gw3 h LYS 203 Cb 1.26 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 2gw3 h LYS 203 CO 0.41 -0.08 0.00 -0.25 -3.45 0.00 0.00 179.45 176.08 2gw3 n ASP 204 N -5.44 3.23 -1.43 4.20 10.43 -1.26 -4.93 116.55 121.35 2gw3 n ASP 204 Ca 0.05 -1.99 -0.15 0.00 2.57 0.00 0.00 54.79 55.27 2gw3 n ASP 204 Cb 0.35 -0.39 -0.03 0.00 1.84 0.00 0.00 41.12 42.89 2gw3 n ASP 204 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 2gw3 n TYR 205 N 1.27 -0.38 0.19 1.24 4.01 -0.87 -4.42 117.16 118.20 2gw3 n TYR 205 Ca 0.20 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.99 2gw3 n TYR 205 Cb 0.51 -2.88 0.37 0.00 -0.31 0.00 0.00 39.34 37.03 2gw3 n TYR 205 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 2gw3 h ASN 206 N 0.00 0.00 -3.20 7.72 -0.26 -1.92 -3.41 115.58 114.52 2gw3 h ASN 206 Ca -0.33 0.00 -0.54 0.00 -0.56 0.00 0.00 56.30 54.87 2gw3 h ASN 206 Cb 1.12 0.00 -0.36 0.00 -1.06 0.00 0.00 38.32 38.02 2gw3 h ASN 206 CO 0.43 0.38 -0.81 -1.61 -1.06 0.00 0.00 177.43 174.76 2gw3 s GLU 207 N -3.89 1.72 -0.01 0.81 2.02 -1.26 -1.01 118.70 117.08 2gw3 s GLU 207 Ca -0.02 -0.34 0.03 0.00 0.02 0.00 0.00 54.97 54.66 2gw3 s GLU 207 Cb 0.13 -1.68 -0.00 0.00 0.10 0.00 0.00 34.13 32.67 2gw3 s GLU 207 CO 0.70 -0.22 -0.09 0.08 0.02 0.00 0.00 175.26 175.75 2gw3 s VAL 208 N 1.53 0.72 -0.26 2.63 1.01 -0.40 -1.65 120.40 123.97 2gw3 s VAL 208 Ca 0.03 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 2gw3 s VAL 208 Cb -0.13 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 2gw3 s VAL 208 CO -0.07 0.21 0.06 -0.75 0.00 0.00 0.00 175.10 174.55 2gw3 s LYS 209 N -0.08 3.42 0.12 2.72 2.47 -0.13 -0.37 119.74 127.89 2gw3 s LYS 209 Ca 0.01 -0.63 0.08 0.00 -1.56 0.00 0.00 55.97 53.88 2gw3 s LYS 209 Cb -0.05 -3.30 -0.04 0.00 -1.46 0.00 0.00 37.83 32.98 2gw3 s LYS 209 CO -0.00 -0.28 -0.15 -1.17 0.16 0.00 0.00 175.35 173.91 2gw3 s LEU 210 N 1.56 2.84 -0.04 5.43 2.96 0.01 -0.20 118.68 131.23 2gw3 s LEU 210 Ca 0.05 -0.50 -0.07 0.00 -0.22 0.00 0.00 54.13 53.39 2gw3 s LEU 210 Cb -0.16 -1.66 0.01 0.00 0.50 0.00 0.00 46.19 44.89 2gw3 s LEU 210 CO 0.02 0.17 0.18 -0.47 -1.32 0.00 0.00 176.35 174.94 2gw3 s TYR 211 N -1.20 -0.12 0.00 5.38 6.14 -0.06 -0.75 117.35 126.75 2gw3 s TYR 211 Ca 0.20 0.26 0.00 0.00 0.64 0.00 0.00 57.07 58.17 2gw3 s TYR 211 Cb -0.11 0.03 -0.01 0.00 0.42 0.00 0.00 41.96 42.30 2gw3 s TYR 211 CO 0.12 -0.19 -0.02 -2.00 0.64 0.00 0.00 175.55 174.10 2gw3 s GLU 212 N -0.54 0.16 -0.07 4.97 2.12 -0.53 -0.52 118.70 124.30 2gw3 s GLU 212 Ca -0.06 -0.17 0.04 0.00 0.36 0.00 0.00 54.97 55.13 2gw3 s GLU 212 Cb -0.04 -0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.27 2gw3 s GLU 212 CO 0.01 0.02 -0.19 -1.58 -0.54 0.00 0.00 175.26 172.98 2gw3 s HIS 213 N -0.33 1.96 -0.07 5.30 5.65 -0.50 -1.79 115.29 125.51 2gw3 s HIS 213 Ca -0.03 -0.69 -0.06 0.00 0.25 0.00 0.00 55.06 54.53 2gw3 s HIS 213 Cb -0.03 -1.34 0.02 0.00 -1.18 0.00 0.00 32.58 30.06 2gw3 s HIS 213 CO -0.00 -0.28 0.18 0.00 -0.65 0.00 0.00 174.74 173.99 2gw3 s ALA 214 N 0.28 -0.44 -0.03 1.58 0.00 0.70 -0.88 121.76 122.97 2gw3 s ALA 214 Ca -0.11 0.55 -0.01 0.00 0.00 0.00 0.00 51.96 52.39 2gw3 s ALA 214 Cb -0.15 -0.33 0.03 0.00 0.00 0.00 0.00 23.12 22.68 2gw3 s ALA 214 CO 0.05 -0.10 0.04 0.08 0.00 0.00 0.00 175.76 175.83 2gw3 s VAL 215 N 0.24 -0.08 0.26 0.00 1.01 -0.33 -1.07 120.40 120.43 2gw3 s VAL 215 Ca -0.01 0.32 -0.14 0.00 0.00 0.00 0.00 61.98 62.14 2gw3 s VAL 215 Cb -0.02 -0.12 -0.08 0.00 0.00 0.00 0.00 36.38 36.15 2gw3 s VAL 215 CO -0.01 0.13 0.67 0.00 0.00 0.00 0.00 175.10 175.89 2gw3 s ALA 216 N 1.60 3.43 0.35 5.51 0.00 0.21 -0.31 121.76 132.55 2gw3 s ALA 216 Ca -0.02 -0.03 -0.17 0.00 0.00 0.00 0.00 51.96 51.73 2gw3 s ALA 216 Cb -0.13 -2.67 0.04 0.00 0.00 0.00 0.00 23.12 20.37 2gw3 s ALA 216 CO -0.03 0.39 0.77 -3.38 0.00 0.00 0.00 175.76 173.51 2gw3 s HIS 217 N -1.80 0.02 -1.18 0.00 -3.43 0.02 -4.42 115.29 104.51 2gw3 s HIS 217 Ca 0.48 -0.63 0.17 0.00 -0.80 0.00 0.00 55.06 54.28 2gw3 s HIS 217 Cb -0.12 0.80 0.57 0.00 -1.43 0.00 0.00 32.58 32.39 2gw3 s HIS 217 CO 0.19 -1.47 1.48 0.43 -2.00 0.00 0.00 174.74 173.37 2gw3 n SER 218 N -1.11 3.96 -0.48 7.38 7.64 -1.26 -1.31 113.62 128.43 2gw3 n SER 218 Ca -0.07 -2.27 0.00 0.00 1.01 0.00 0.00 58.87 57.54 2gw3 n SER 218 Cb 0.60 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 2gw3 n SER 218 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gw3 n GLY 219 N 0.91 -0.89 0.55 0.23 0.00 -1.26 -4.94 105.19 99.79 2gw3 n GLY 219 Ca 0.21 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2gw3 n GLY 219 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22