#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpw s ASP -7 N 0.00 6.44 0.60 6.43 3.68 -1.26 -4.89 116.67 127.67 3gpw s ASP -7 Ca 0.00 -0.03 0.29 0.00 2.13 0.00 0.00 52.55 54.94 3gpw s ASP -7 Cb 0.00 -2.47 1.54 0.00 -1.45 0.00 0.00 42.92 40.54 3gpw s ASP -7 CO 0.00 -1.22 1.95 -0.65 0.13 0.00 0.00 175.17 175.38 3gpw h PRO -6 N 9.27 0.00 -0.01 4.34 0.11 -2.02 0.30 132.00 144.00 3gpw h PRO -6 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3gpw h PRO -6 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3gpw h PRO -6 CO 1.09 0.00 -0.09 0.43 -0.21 0.00 0.00 178.00 179.22 3gpw n SER -5 N -3.61 0.70 -0.08 -2.05 7.64 -1.26 -3.68 113.62 111.27 3gpw n SER -5 Ca 0.05 -0.88 0.06 0.00 1.01 0.00 0.00 58.87 59.11 3gpw n SER -5 Cb 0.54 -0.02 0.08 0.00 -1.01 0.00 0.00 64.21 63.80 3gpw n SER -5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3gpw n SER -4 N -0.67 1.94 -0.08 6.43 7.64 0.09 -4.59 113.62 124.37 3gpw n SER -4 Ca 0.17 -2.56 -0.17 0.00 1.01 0.00 0.00 58.87 57.31 3gpw n SER -4 Cb 0.28 -0.26 -0.12 0.00 -1.01 0.00 0.00 64.21 63.10 3gpw n SER -4 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3gpw h ILE -3 N 0.71 1.43 0.00 0.44 2.04 -1.64 -3.41 117.51 117.08 3gpw h ILE -3 Ca 0.00 -2.28 -0.09 0.00 1.00 0.00 0.00 64.86 63.50 3gpw h ILE -3 Cb 0.88 2.90 -0.02 0.00 -0.74 0.00 0.00 36.82 39.84 3gpw h ILE -3 CO 0.00 0.48 -1.65 0.59 0.00 0.00 0.00 178.15 177.58 3gpw n ASN -2 N -4.54 0.43 -0.61 1.72 5.03 -1.25 -1.54 115.26 114.50 3gpw n ASN -2 Ca -0.19 0.18 0.08 0.00 0.87 0.00 0.00 54.58 55.51 3gpw n ASN -2 Cb 0.56 1.03 -0.03 0.00 -1.02 0.00 0.00 39.78 40.33 3gpw n ASN -2 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3gpw n GLY -1 N 1.33 -1.97 0.00 7.41 0.00 -1.26 -1.91 105.19 108.80 3gpw n GLY -1 Ca -0.08 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.59 3gpw n GLY -1 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gpw n GLY 1 N -2.91 3.76 3.18 -0.02 0.00 -1.11 -4.67 105.19 103.42 3gpw n GLY 1 Ca -0.01 -1.70 -0.08 0.00 0.00 0.00 0.00 46.02 44.22 3gpw n GLY 1 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gpw s ILE 2 N -2.38 0.16 -0.08 -0.61 -4.36 -1.26 -1.79 121.20 110.88 3gpw s ILE 2 Ca 0.00 -1.43 -0.11 0.00 -0.26 0.00 0.00 60.65 58.85 3gpw s ILE 2 Cb 0.00 -1.48 0.02 0.00 1.25 0.00 0.00 42.46 42.25 3gpw s ILE 2 CO 0.00 -0.71 0.28 -0.69 0.24 0.00 0.00 174.94 174.06 3gpw s VAL 3 N -3.90 0.02 -0.10 8.37 1.01 -0.38 -2.75 120.40 122.66 3gpw s VAL 3 Ca 0.08 -0.18 -0.09 0.00 0.00 0.00 0.00 61.98 61.79 3gpw s VAL 3 Cb 0.06 -0.46 0.03 0.00 0.00 0.00 0.00 36.38 36.01 3gpw s VAL 3 CO -0.09 -0.10 0.27 0.54 0.00 0.00 0.00 175.10 175.72 3gpw s VAL 4 N -0.36 -0.01 0.01 2.92 0.11 -0.01 -1.68 120.40 121.40 3gpw s VAL 4 Ca -0.05 0.03 0.06 0.00 -2.93 0.00 0.00 61.98 59.09 3gpw s VAL 4 Cb -0.03 -0.39 -0.02 0.00 -1.53 0.00 0.00 36.38 34.41 3gpw s VAL 4 CO 0.01 0.01 -0.18 0.00 -3.33 0.00 0.00 175.10 171.62 3gpw s ALA 5 N 0.37 1.47 0.03 1.54 0.00 -0.40 0.08 121.76 124.84 3gpw s ALA 5 Ca -0.02 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.10 3gpw s ALA 5 Cb -0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 3gpw s ALA 5 CO -0.02 0.34 -0.05 -1.64 0.00 0.00 0.00 175.76 174.39 3gpw s MET 6 N -0.78 0.40 -0.06 0.00 -1.94 0.66 -1.41 119.30 116.16 3gpw s MET 6 Ca 0.06 -0.65 -0.03 0.00 -1.71 0.00 0.00 55.69 53.35 3gpw s MET 6 Cb -0.07 -0.07 -0.04 0.00 2.01 0.00 0.00 34.83 36.66 3gpw s MET 6 CO 0.00 -0.00 0.10 0.95 -0.01 0.00 0.00 175.02 176.06 3gpw s THR 7 N -1.37 5.00 0.00 2.05 -4.23 -0.65 -0.56 115.64 115.87 3gpw s THR 7 Ca -0.13 -0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.25 3gpw s THR 7 Cb -0.10 -3.22 0.00 0.00 1.34 0.00 0.00 72.50 70.52 3gpw s THR 7 CO -0.00 0.49 0.00 0.61 -0.54 0.00 0.00 174.62 175.18 3gpw n GLY 8 N 1.62 5.51 3.59 3.99 0.00 0.17 -4.65 105.19 115.42 3gpw n GLY 8 Ca -0.16 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 3gpw n GLY 8 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gpw s LYS 9 N 0.16 3.53 -1.48 1.61 2.47 0.92 -3.54 119.74 123.41 3gpw s LYS 9 Ca 0.00 0.52 -0.03 0.00 -1.56 0.00 0.00 55.97 54.90 3gpw s LYS 9 Cb 0.00 -4.02 0.01 0.00 -1.46 0.00 0.00 37.83 32.37 3gpw s LYS 9 CO 0.00 -1.65 0.27 -0.25 0.16 0.00 0.00 175.35 173.89 3gpw n ASP 10 N 8.65 -5.22 -3.58 1.43 10.43 -1.26 -4.67 116.55 122.33 3gpw n ASP 10 Ca 0.12 -0.11 -0.10 0.00 2.57 0.00 0.00 54.79 57.26 3gpw n ASP 10 Cb 0.49 -4.31 -0.02 0.00 1.84 0.00 0.00 41.12 39.12 3gpw n ASP 10 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3gpw s VAL 12 N -3.81 0.11 0.01 0.00 -7.23 -0.51 -0.65 120.40 108.31 3gpw s VAL 12 Ca 0.05 -0.91 0.03 0.00 -1.81 0.00 0.00 61.98 59.34 3gpw s VAL 12 Cb -0.03 -0.57 -0.01 0.00 0.56 0.00 0.00 36.38 36.33 3gpw s VAL 12 CO -0.06 -0.50 -0.09 0.00 -0.31 0.00 0.00 175.10 174.14 3gpw s ALA 13 N -1.87 0.78 -0.03 1.32 0.00 0.27 -0.10 121.76 122.12 3gpw s ALA 13 Ca -0.11 -0.51 0.01 0.00 0.00 0.00 0.00 51.96 51.35 3gpw s ALA 13 Cb -0.06 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.93 3gpw s ALA 13 CO -0.01 0.16 -0.02 -1.50 0.00 0.00 0.00 175.76 174.38 3gpw s ILE 14 N -0.49 0.32 0.14 0.00 2.07 -0.72 -0.25 121.20 122.27 3gpw s ILE 14 Ca 0.01 -0.03 0.02 0.00 -1.41 0.00 0.00 60.65 59.24 3gpw s ILE 14 Cb -0.05 -0.36 -0.04 0.00 0.13 0.00 0.00 42.46 42.13 3gpw s ILE 14 CO 0.00 0.16 -0.03 0.00 -1.91 0.00 0.00 174.94 173.16 3gpw s ALA 15 N 0.75 1.20 0.16 1.50 0.00 0.11 -0.85 121.76 124.65 3gpw s ALA 15 Ca -0.08 -1.49 -0.22 0.00 0.00 0.00 0.00 51.96 50.16 3gpw s ALA 15 Cb -0.12 0.39 0.06 0.00 0.00 0.00 0.00 23.12 23.45 3gpw s ALA 15 CO -0.01 -0.28 0.58 0.00 0.00 0.00 0.00 175.76 176.05 3gpw s ASP 17 N -2.77 3.66 -0.05 0.00 3.84 -1.11 -1.17 116.67 119.07 3gpw s ASP 17 Ca 0.02 -0.11 0.08 0.00 -0.00 0.00 0.00 52.55 52.54 3gpw s ASP 17 Cb -0.01 -0.07 0.12 0.00 -1.38 0.00 0.00 42.92 41.58 3gpw s ASP 17 CO -0.11 -2.34 1.06 0.18 -0.00 0.00 0.00 175.17 173.95 3gpw n LEU 18 N -3.32 2.13 -4.82 2.11 4.77 -0.15 -4.47 117.00 113.25 3gpw n LEU 18 Ca 0.16 -2.43 -0.33 0.00 -0.03 0.00 0.00 56.01 53.37 3gpw n LEU 18 Cb 0.60 -0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 41.45 3gpw n LEU 18 CO 0.43 0.58 0.58 -0.60 -1.33 0.00 0.00 177.39 177.06 3gpw s ARG 19 N -1.75 4.21 -0.21 3.23 3.52 -1.00 -1.87 118.95 125.07 3gpw s ARG 19 Ca 0.13 1.02 -0.04 0.00 -0.13 0.00 0.00 55.73 56.71 3gpw s ARG 19 Cb 0.11 -2.32 0.11 0.00 -1.56 0.00 0.00 34.95 31.29 3gpw s ARG 19 CO 0.01 0.06 0.30 -1.17 -0.81 0.00 0.00 175.30 173.69 3gpw s LEU 20 N -2.99 -0.39 0.40 -0.88 1.98 -0.48 -4.68 118.68 111.64 3gpw s LEU 20 Ca 0.58 0.13 0.03 0.00 -2.89 0.00 0.00 54.13 51.98 3gpw s LEU 20 Cb -0.10 0.79 -0.04 0.00 0.66 0.00 0.00 46.19 47.49 3gpw s LEU 20 CO 0.15 -0.30 0.08 -0.83 -1.89 0.00 0.00 176.35 173.56 3gpw s GLY 21 N 2.45 2.51 -0.54 7.98 0.00 -0.80 -0.74 107.32 118.17 3gpw s GLY 21 Ca 0.08 -1.41 0.04 0.00 0.00 0.00 0.00 44.72 43.43 3gpw s GLY 21 CO -0.13 -1.90 0.33 -0.45 0.00 0.00 0.00 173.10 170.94 3gpw s SER 22 N -3.62 4.05 1.70 1.64 0.15 0.12 -3.86 113.70 113.87 3gpw s SER 22 Ca 0.25 -3.15 0.00 0.00 0.70 0.00 0.00 55.95 53.76 3gpw s SER 22 Cb 0.05 -1.37 0.00 0.00 -1.71 0.00 0.00 66.02 62.98 3gpw s SER 22 CO 0.13 -0.19 0.00 0.00 1.20 0.00 0.00 173.24 174.38 3gpw n GLN 23 N 2.89 0.00 0.19 5.44 1.13 -0.59 -2.06 117.38 124.38 3gpw n GLN 23 Ca 0.12 0.00 0.05 0.00 -1.94 0.00 0.00 57.00 55.23 3gpw n GLN 23 Cb 0.35 0.00 0.33 0.00 0.11 0.00 0.00 30.24 31.03 3gpw n GLN 23 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3gpw h SER 24 N 0.00 0.00 -3.10 1.08 4.64 -1.95 -3.44 113.55 110.77 3gpw h SER 24 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 3gpw h SER 24 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 3gpw h SER 24 CO 0.00 0.38 0.75 -0.22 -0.87 0.00 0.00 176.83 176.87 3gpw s LEU 25 N -7.11 4.15 0.20 5.97 2.96 -0.87 -5.03 118.68 118.96 3gpw s LEU 25 Ca -0.00 1.48 -0.30 0.00 -0.22 0.00 0.00 54.13 55.09 3gpw s LEU 25 Cb 0.11 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 43.18 3gpw s LEU 25 CO 0.69 -0.62 1.05 -0.83 -1.32 0.00 0.00 176.35 175.32 3gpw s GLY 26 N 1.28 2.96 -0.00 7.98 0.00 -1.26 0.11 107.32 118.39 3gpw s GLY 26 Ca 0.47 0.76 0.00 0.00 0.00 0.00 0.00 44.72 45.95 3gpw s GLY 26 CO 0.11 1.51 -0.00 -0.62 0.00 0.00 0.00 173.10 174.10 3gpw n VAL 27 N 2.06 0.01 -3.80 1.40 0.31 0.08 -4.88 118.33 113.50 3gpw n VAL 27 Ca 0.01 -0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.21 3gpw n VAL 27 Cb 0.46 -0.56 -0.12 0.00 -0.91 0.00 0.00 33.84 32.71 3gpw n VAL 27 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3gpw s SER 28 N -3.89 -0.21 -0.18 4.52 0.15 -0.37 -5.00 113.70 108.72 3gpw s SER 28 Ca -0.00 0.40 0.17 0.00 0.70 0.00 0.00 55.95 57.22 3gpw s SER 28 Cb 0.00 0.42 0.51 0.00 -1.71 0.00 0.00 66.02 65.24 3gpw s SER 28 CO 0.00 -0.08 1.40 -0.46 1.20 0.00 0.00 173.24 175.30 3gpw n ASN 29 N 2.92 3.74 -0.46 5.45 2.04 -1.25 -1.38 115.26 126.30 3gpw n ASN 29 Ca -0.13 -3.04 0.03 0.00 -0.44 0.00 0.00 54.58 51.00 3gpw n ASN 29 Cb 0.58 -0.54 0.04 0.00 -2.53 0.00 0.00 39.78 37.34 3gpw n ASN 29 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 3gpw n LYS 30 N -0.60 0.36 -2.71 -3.83 5.02 -1.08 -4.76 118.16 110.56 3gpw n LYS 30 Ca 0.21 -1.52 -0.42 0.00 -2.02 0.00 0.00 58.31 54.56 3gpw n LYS 30 Cb 0.88 -0.74 -0.02 0.00 -0.02 0.00 0.00 35.03 35.12 3gpw n LYS 30 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3gpw s PHE 31 N -0.80 2.81 0.34 2.13 5.36 -0.78 -4.99 117.98 122.04 3gpw s PHE 31 Ca 0.11 -1.17 -0.27 0.00 -0.96 0.00 0.00 56.93 54.64 3gpw s PHE 31 Cb 0.11 -4.54 -0.09 0.00 -0.34 0.00 0.00 43.02 38.15 3gpw s PHE 31 CO -0.01 -1.74 1.14 -1.21 -1.46 0.00 0.00 175.22 171.94 3gpw s GLU 32 N 3.94 4.37 -0.01 10.12 2.02 -1.26 -4.41 118.70 133.46 3gpw s GLU 32 Ca 0.42 1.83 0.09 0.00 0.02 0.00 0.00 54.97 57.33 3gpw s GLU 32 Cb -0.01 -2.94 0.26 0.00 0.10 0.00 0.00 34.13 31.54 3gpw s GLU 32 CO -0.08 -0.04 1.22 1.63 0.02 0.00 0.00 175.26 178.01 3gpw n LYS 33 N 0.65 2.88 -4.69 1.61 5.02 -1.26 -4.97 118.16 117.39 3gpw n LYS 33 Ca 0.01 -2.01 -0.33 0.00 -2.02 0.00 0.00 58.31 53.96 3gpw n LYS 33 Cb 0.45 -1.26 -0.12 0.00 -0.02 0.00 0.00 35.03 34.08 3gpw n LYS 33 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3gpw s ILE 34 N -1.14 3.44 0.18 -0.18 -1.09 -1.26 -0.83 121.20 120.32 3gpw s ILE 34 Ca 0.20 -0.56 0.01 0.00 -2.23 0.00 0.00 60.65 58.07 3gpw s ILE 34 Cb 0.11 -2.41 -0.04 0.00 -1.58 0.00 0.00 42.46 38.54 3gpw s ILE 34 CO 0.12 0.57 0.05 -0.36 -1.23 0.00 0.00 174.94 174.10 3gpw s PHE 35 N -0.42 1.19 -0.02 3.97 0.40 0.87 -4.97 117.98 119.00 3gpw s PHE 35 Ca 0.06 -1.16 -0.12 0.00 -0.60 0.00 0.00 56.93 55.10 3gpw s PHE 35 Cb -0.12 -0.67 0.02 0.00 0.51 0.00 0.00 43.02 42.76 3gpw s PHE 35 CO 0.02 -0.38 0.26 -3.38 0.70 0.00 0.00 175.22 172.45 3gpw s HIS 36 N -3.85 -0.13 -0.29 0.36 -3.43 -1.26 0.41 115.29 107.10 3gpw s HIS 36 Ca 0.29 0.19 -0.01 0.00 -0.80 0.00 0.00 55.06 54.73 3gpw s HIS 36 Cb 0.07 0.06 0.09 0.00 -1.43 0.00 0.00 32.58 31.37 3gpw s HIS 36 CO 0.07 -0.34 0.08 0.71 -2.00 0.00 0.00 174.74 173.26 3gpw s TYR 38 N -1.23 1.69 0.00 0.38 2.02 -0.10 -4.99 117.35 115.13 3gpw s TYR 38 Ca -0.13 -1.65 0.00 0.00 -0.37 0.00 0.00 57.07 54.92 3gpw s TYR 38 Cb -0.06 -1.64 0.00 0.00 -0.40 0.00 0.00 41.96 39.86 3gpw s TYR 38 CO 0.03 -0.84 0.00 0.41 -1.57 0.00 0.00 175.55 173.58 3gpw n GLY 39 N 4.85 1.33 1.30 0.71 0.00 -1.26 -2.29 105.19 109.83 3gpw n GLY 39 Ca -0.03 -0.51 0.11 0.00 0.00 0.00 0.00 46.02 45.59 3gpw n GLY 39 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3gpw n HIS 40 N 12.63 0.94 -3.69 1.61 1.44 -1.26 -4.89 115.22 122.00 3gpw n HIS 40 Ca 0.00 -0.47 -0.36 0.00 -2.01 0.00 0.00 57.72 54.88 3gpw n HIS 40 Cb 0.00 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.03 3gpw n HIS 40 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3gpw s VAL 41 N -1.06 5.38 -0.11 0.61 1.01 -0.97 -4.45 120.40 120.82 3gpw s VAL 41 Ca 0.47 0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.64 3gpw s VAL 41 Cb 0.25 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 3gpw s VAL 41 CO 0.32 0.40 0.02 -0.36 0.00 0.00 0.00 175.10 175.48 3gpw s PHE 42 N 0.65 3.20 -0.11 5.22 0.40 0.69 -0.92 117.98 127.10 3gpw s PHE 42 Ca 0.09 0.16 -0.00 0.00 -0.60 0.00 0.00 56.93 56.57 3gpw s PHE 42 Cb -0.12 -1.85 0.02 0.00 0.51 0.00 0.00 43.02 41.58 3gpw s PHE 42 CO 0.01 0.41 -0.08 -1.17 0.70 0.00 0.00 175.22 175.08 3gpw s LEU 43 N -0.62 1.22 0.03 -0.37 2.96 0.17 -0.54 118.68 121.52 3gpw s LEU 43 Ca 0.10 -0.31 -0.00 0.00 -0.22 0.00 0.00 54.13 53.70 3gpw s LEU 43 Cb -0.12 -0.86 -0.04 0.00 0.50 0.00 0.00 46.19 45.67 3gpw s LEU 43 CO 0.02 -0.11 0.14 -0.83 -1.32 0.00 0.00 176.35 174.25 3gpw s GLY 44 N 1.68 2.10 -0.10 7.98 0.00 0.63 -0.09 107.32 119.52 3gpw s GLY 44 Ca 0.05 -0.87 -0.04 0.00 0.00 0.00 0.00 44.72 43.86 3gpw s GLY 44 CO -0.08 -0.80 0.17 -0.42 0.00 0.00 0.00 173.10 171.97 3gpw s ILE 45 N -1.36 -0.28 0.42 0.90 1.01 -0.01 -0.71 121.20 121.17 3gpw s ILE 45 Ca 0.29 0.31 0.08 0.00 0.00 0.00 0.00 60.65 61.33 3gpw s ILE 45 Cb -0.12 -0.34 -0.00 0.00 0.01 0.00 0.00 42.46 42.00 3gpw s ILE 45 CO 0.21 0.12 0.48 0.42 0.00 0.00 0.00 174.94 176.17 3gpw s THR 46 N 2.31 2.82 0.00 2.92 -4.23 -1.11 -4.83 115.64 113.51 3gpw s THR 46 Ca 0.03 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.38 3gpw s THR 46 Cb -0.12 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.74 3gpw s THR 46 CO -0.06 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 3gpw n GLY 47 N -1.71 0.18 3.63 3.99 0.00 -1.26 -0.76 105.19 109.25 3gpw n GLY 47 Ca 0.06 -2.11 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 3gpw n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gpw s LEU 48 N 0.00 3.91 0.26 0.99 2.96 -0.24 -4.61 118.68 121.94 3gpw s LEU 48 Ca 0.00 1.82 -0.04 0.00 -0.22 0.00 0.00 54.13 55.70 3gpw s LEU 48 Cb 0.00 -3.53 0.53 0.00 0.50 0.00 0.00 46.19 43.69 3gpw s LEU 48 CO 0.00 -1.34 1.65 0.00 -1.32 0.00 0.00 176.35 175.34 3gpw h ALA 49 N 11.38 0.97 -0.59 5.97 0.00 -1.90 0.46 119.26 135.54 3gpw h ALA 49 Ca -0.37 0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.80 3gpw h ALA 49 Cb 1.18 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 3gpw h ALA 49 CO 0.99 -0.42 0.39 0.00 0.00 0.00 0.00 179.25 180.21 3gpw h THR 50 N 0.17 1.06 0.01 0.00 1.03 -1.99 -0.05 112.91 113.13 3gpw h THR 50 Ca 0.46 -0.23 -0.21 0.00 -0.01 0.00 0.00 66.41 66.42 3gpw h THR 50 Cb 0.84 0.33 -0.01 0.00 -1.07 0.00 0.00 68.15 68.25 3gpw h THR 50 CO -0.64 0.12 -0.92 0.44 -0.01 0.00 0.00 175.52 174.52 3gpw h ASP 51 N 0.67 0.37 -0.56 0.00 3.45 -1.34 -1.03 116.42 117.98 3gpw h ASP 51 Ca 0.24 -0.30 -0.01 0.00 0.43 0.00 0.00 57.03 57.40 3gpw h ASP 51 Cb 0.13 -0.11 -0.03 0.00 -0.56 0.00 0.00 39.33 38.76 3gpw h ASP 51 CO -0.07 1.11 0.33 0.58 -1.57 0.00 0.00 179.24 179.62 3gpw h VAL 52 N 0.15 1.17 -0.16 -1.35 2.07 -0.02 0.27 116.25 118.38 3gpw h VAL 52 Ca -0.06 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 3gpw h VAL 52 Cb 1.55 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 3gpw h VAL 52 CO 0.15 0.18 0.01 0.74 0.02 0.00 0.00 177.57 178.66 3gpw h THR 53 N 0.76 1.25 -0.43 2.57 2.02 -1.01 -2.07 112.91 115.99 3gpw h THR 53 Ca 0.20 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 3gpw h THR 53 Cb 0.00 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 3gpw h THR 53 CO -0.04 0.24 0.24 0.74 0.37 0.00 0.00 175.52 177.07 3gpw h THR 54 N 0.03 1.16 -0.79 3.16 2.02 -0.90 -1.88 112.91 115.71 3gpw h THR 54 Ca 0.05 -0.40 -0.04 0.00 0.77 0.00 0.00 66.41 66.79 3gpw h THR 54 Cb 0.36 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 3gpw h THR 54 CO 0.01 0.16 0.34 -0.07 0.37 0.00 0.00 175.52 176.33 3gpw h LEU 55 N 0.56 1.06 -0.06 2.58 3.38 -0.45 0.53 115.31 122.91 3gpw h LEU 55 Ca 0.15 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gpw h LEU 55 Cb 0.05 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3gpw h LEU 55 CO -0.02 0.92 0.04 -1.13 0.09 0.00 0.00 178.44 178.34 3gpw h ASN 56 N 1.14 0.08 -0.98 -0.43 -1.24 -1.14 0.35 115.58 113.36 3gpw h ASN 56 Ca 0.27 -0.06 0.06 0.00 0.71 0.00 0.00 56.30 57.27 3gpw h ASN 56 Cb 0.18 -0.02 -0.06 0.00 0.73 0.00 0.00 38.32 39.15 3gpw h ASN 56 CO -0.03 0.11 0.64 -0.33 -1.29 0.00 0.00 177.43 176.53 3gpw h GLU 57 N 0.03 1.14 -0.17 6.67 5.08 -0.99 -0.47 114.58 125.87 3gpw h GLU 57 Ca 0.02 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3gpw h GLU 57 Cb 0.05 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 3gpw h GLU 57 CO -0.00 0.75 0.03 1.98 -1.00 0.00 0.00 179.01 180.77 3gpw h MET 58 N 1.17 0.27 0.00 2.33 4.05 -0.33 -2.19 114.93 120.24 3gpw h MET 58 Ca 0.41 -0.07 -0.06 0.00 -0.28 0.00 0.00 59.70 59.71 3gpw h MET 58 Cb 0.12 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.88 3gpw h MET 58 CO -0.15 0.43 -0.26 0.74 0.23 0.00 0.00 176.91 177.90 3gpw h PHE 59 N 0.07 0.00 0.40 1.39 0.05 -0.58 -0.03 116.94 118.24 3gpw h PHE 59 Ca 0.05 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.82 3gpw h PHE 59 Cb 0.28 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.24 3gpw h PHE 59 CO 0.01 0.26 -0.19 -0.09 -0.18 0.00 0.00 178.31 178.12 3gpw h ARG 60 N 0.00 -0.52 -0.67 1.51 2.43 -0.97 0.13 114.38 116.29 3gpw h ARG 60 Ca -0.00 0.04 0.13 0.00 -0.81 0.00 0.00 59.98 59.33 3gpw h ARG 60 Cb 0.68 0.12 -0.13 0.00 -0.42 0.00 0.00 29.97 30.22 3gpw h ARG 60 CO 0.03 -0.21 -0.19 -0.92 -1.51 0.00 0.00 179.97 177.17 3gpw h TYR 61 N -0.88 -0.44 -0.23 2.20 5.03 -1.12 0.44 116.97 121.97 3gpw h TYR 61 Ca -0.05 0.06 -0.16 0.00 2.58 0.00 0.00 58.73 61.16 3gpw h TYR 61 Cb 0.55 0.30 -0.01 0.00 1.55 0.00 0.00 36.73 39.12 3gpw h TYR 61 CO 0.02 -0.31 -0.52 0.87 -1.32 0.00 0.00 178.16 176.90 3gpw h LYS 62 N -0.03 0.65 0.00 1.82 1.57 -0.97 -2.82 116.57 116.80 3gpw h LYS 62 Ca 0.31 -0.39 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 3gpw h LYS 62 Cb 0.51 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 3gpw h LYS 62 CO -0.70 1.01 -0.08 1.79 -0.57 0.00 0.00 179.45 180.90 3gpw h THR 63 N 0.51 0.17 -0.02 -0.16 1.35 -0.19 -1.71 112.91 112.86 3gpw h THR 63 Ca 0.02 -0.90 -0.01 0.00 -0.55 0.00 0.00 66.41 64.97 3gpw h THR 63 Cb 1.07 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 3gpw h THR 63 CO 0.10 0.08 -0.04 0.78 -0.25 0.00 0.00 175.52 176.19 3gpw h ASN 64 N 0.00 0.07 -0.29 5.36 2.35 -0.81 -2.14 115.58 120.11 3gpw h ASN 64 Ca -0.00 -0.58 -0.07 0.00 -0.55 0.00 0.00 56.30 55.10 3gpw h ASN 64 Cb 0.76 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 39.10 3gpw h ASN 64 CO 0.01 0.64 -0.04 -0.07 -1.65 0.00 0.00 177.43 176.32 3gpw h LEU 65 N -0.50 0.63 -0.50 1.61 3.38 -1.45 -2.12 115.31 116.36 3gpw h LEU 65 Ca 0.00 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.84 3gpw h LEU 65 Cb 0.63 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3gpw h LEU 65 CO 0.01 0.73 0.30 0.22 0.09 0.00 0.00 178.44 179.79 3gpw h TYR 66 N 0.62 0.57 -0.70 1.13 5.03 -1.28 -1.49 116.97 120.83 3gpw h TYR 66 Ca 0.12 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.41 3gpw h TYR 66 Cb 0.45 -0.18 -0.03 0.00 1.55 0.00 0.00 36.73 38.51 3gpw h TYR 66 CO 0.02 0.33 0.29 -0.22 -1.32 0.00 0.00 178.16 177.25 3gpw h LYS 67 N 0.60 1.05 -0.35 1.82 3.64 -0.97 0.23 116.57 122.60 3gpw h LYS 67 Ca 0.20 -0.19 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 3gpw h LYS 67 Cb 0.01 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 3gpw h LYS 67 CO -0.09 0.86 -0.00 -0.07 -2.27 0.00 0.00 179.45 177.88 3gpw h LEU 68 N 1.00 0.51 0.05 5.20 3.38 -0.87 0.13 115.31 124.72 3gpw h LEU 68 Ca 0.24 -0.10 -0.28 0.00 0.09 0.00 0.00 57.88 57.83 3gpw h LEU 68 Cb 0.20 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3gpw h LEU 68 CO -0.02 0.59 -1.50 0.11 0.09 0.00 0.00 178.44 177.71 3gpw h LYS 69 N 0.52 0.10 0.00 1.13 1.57 -1.01 -3.38 116.57 115.51 3gpw h LYS 69 Ca 0.11 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3gpw h LYS 69 Cb 0.34 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 3gpw h LYS 69 CO 0.01 1.08 -0.13 0.93 -0.57 0.00 0.00 179.45 180.78 3gpw h GLU 70 N -0.62 0.00 -3.94 3.15 4.39 -0.61 -3.47 114.58 113.48 3gpw h GLU 70 Ca -0.37 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 58.96 3gpw h GLU 70 Cb 1.56 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 30.26 3gpw h GLU 70 CO -0.10 0.13 -0.55 0.39 -1.16 0.00 0.00 179.01 177.72 3gpw n GLU 71 N -3.18 -4.14 -3.49 2.33 1.02 0.45 -4.97 120.64 108.66 3gpw n GLU 71 Ca 0.02 0.85 -0.10 0.00 -0.02 0.00 0.00 57.16 57.90 3gpw n GLU 71 Cb 0.48 -5.52 -0.02 0.00 -0.02 0.00 0.00 31.44 26.35 3gpw n GLU 71 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3gpw s ARG 72 N -5.52 1.19 0.34 3.49 1.70 -1.23 -5.07 118.95 113.85 3gpw s ARG 72 Ca 0.24 -0.47 -0.20 0.00 -0.47 0.00 0.00 55.73 54.83 3gpw s ARG 72 Cb -0.11 0.52 -0.10 0.00 -0.57 0.00 0.00 34.95 34.70 3gpw s ARG 72 CO 0.30 -0.52 0.85 0.00 -1.08 0.00 0.00 175.30 174.85 3gpw s ALA 73 N -3.57 3.22 0.60 7.88 0.00 -1.26 -4.19 121.76 124.44 3gpw s ALA 73 Ca 0.03 0.30 -0.18 0.00 0.00 0.00 0.00 51.96 52.11 3gpw s ALA 73 Cb -0.01 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 20.07 3gpw s ALA 73 CO -0.10 0.23 1.18 -1.50 0.00 0.00 0.00 175.76 175.57 3gpw s ILE 74 N -1.88 2.82 0.28 0.00 2.07 -1.26 -5.05 121.20 118.18 3gpw s ILE 74 Ca 0.54 0.49 0.06 0.00 -1.41 0.00 0.00 60.65 60.32 3gpw s ILE 74 Cb -0.13 -3.16 -0.02 0.00 0.13 0.00 0.00 42.46 39.28 3gpw s ILE 74 CO 0.18 -0.13 0.40 -1.61 -1.91 0.00 0.00 174.94 171.86 3gpw s GLU 75 N -3.44 3.30 0.13 3.50 0.41 -1.26 -4.71 118.70 116.63 3gpw s GLU 75 Ca 0.75 -0.87 -0.24 0.00 -0.41 0.00 0.00 54.97 54.20 3gpw s GLU 75 Cb -0.27 -2.85 -0.02 0.00 -1.78 0.00 0.00 34.13 29.20 3gpw s GLU 75 CO 0.33 0.29 1.64 -1.35 -0.49 0.00 0.00 175.26 175.68 3gpw h PRO 76 N 1.08 -0.31 -0.65 0.39 0.11 -1.93 0.61 132.00 131.30 3gpw h PRO 76 Ca -0.49 0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.70 3gpw h PRO 76 Cb 1.24 0.07 -0.06 0.00 0.11 0.00 0.00 31.00 32.36 3gpw h PRO 76 CO 0.58 -0.20 0.34 0.93 -0.21 0.00 0.00 178.00 179.44 3gpw h GLU 77 N -0.32 0.60 -0.15 1.05 3.07 -1.97 -0.93 114.58 115.93 3gpw h GLU 77 Ca 0.09 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 58.88 3gpw h GLU 77 Cb 0.45 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.22 3gpw h GLU 77 CO -0.28 0.40 -0.05 1.15 -1.40 0.00 0.00 179.01 178.83 3gpw h THR 78 N 0.62 1.30 -1.00 1.13 2.02 -1.86 -2.88 112.91 112.24 3gpw h THR 78 Ca 0.30 -1.04 0.07 0.00 0.77 0.00 0.00 66.41 66.51 3gpw h THR 78 Cb 0.23 1.67 -0.07 0.00 -1.74 0.00 0.00 68.15 68.24 3gpw h THR 78 CO -0.20 0.31 0.64 0.15 0.37 0.00 0.00 175.52 176.79 3gpw h PHE 79 N -0.01 1.19 -0.96 3.16 3.57 -0.67 -0.48 116.94 122.76 3gpw h PHE 79 Ca 0.04 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.65 3gpw h PHE 79 Cb 0.50 -0.39 -0.07 0.00 2.79 0.00 0.00 35.95 38.78 3gpw h PHE 79 CO 0.06 0.60 0.61 1.15 -2.23 0.00 0.00 178.31 178.49 3gpw h THR 80 N 1.15 1.03 -0.13 4.41 2.02 -1.02 0.35 112.91 120.73 3gpw h THR 80 Ca 0.44 -0.37 -0.15 0.00 0.77 0.00 0.00 66.41 67.11 3gpw h THR 80 Cb 0.21 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.49 3gpw h THR 80 CO -0.19 0.19 -0.56 1.56 0.37 0.00 0.00 175.52 176.90 3gpw h GLN 81 N 1.07 0.38 -0.40 6.66 1.08 -0.93 -1.31 115.11 121.66 3gpw h GLN 81 Ca 0.43 -0.24 -0.11 0.00 -1.45 0.00 0.00 58.65 57.27 3gpw h GLN 81 Cb 0.24 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 3gpw h GLN 81 CO -0.20 0.84 -0.20 1.25 -0.95 0.00 0.00 178.83 179.57 3gpw h LEU 82 N 0.29 0.80 0.03 1.46 5.85 0.22 -1.75 115.31 122.21 3gpw h LEU 82 Ca 0.00 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 3gpw h LEU 82 Cb 1.07 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.88 3gpw h LEU 82 CO 0.10 0.99 -0.01 0.58 -0.34 0.00 0.00 178.44 179.75 3gpw h VAL 83 N 0.69 1.18 0.16 1.05 2.07 -0.19 -1.58 116.25 119.63 3gpw h VAL 83 Ca 0.10 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 66.98 3gpw h VAL 83 Cb 0.72 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 3gpw h VAL 83 CO 0.05 0.17 -0.39 -1.28 0.02 0.00 0.00 177.57 176.14 3gpw h SER 84 N -0.32 -1.14 0.23 0.57 0.87 -1.13 -0.98 113.55 111.63 3gpw h SER 84 Ca -0.00 0.12 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 3gpw h SER 84 Cb 0.30 0.42 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 3gpw h SER 84 CO 0.01 -0.48 -0.21 0.77 -0.53 0.00 0.00 176.83 176.39 3gpw h SER 85 N -0.65 0.00 -0.11 6.23 4.64 -1.36 -1.19 113.55 121.11 3gpw h SER 85 Ca 0.02 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.17 3gpw h SER 85 Cb 0.67 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3gpw h SER 85 CO -0.21 0.21 -0.52 0.28 -0.87 0.00 0.00 176.83 175.73 3gpw h SER 86 N 0.00 0.76 -0.08 4.97 0.02 -0.80 -2.40 113.55 116.01 3gpw h SER 86 Ca -0.00 -0.39 -0.04 0.00 -0.84 0.00 0.00 61.79 60.51 3gpw h SER 86 Cb 0.38 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 3gpw h SER 86 CO 0.03 1.13 -0.12 -0.07 -1.14 0.00 0.00 176.83 176.66 3gpw h LEU 87 N 0.54 0.25 -2.15 5.07 3.38 -0.67 -3.18 115.31 118.54 3gpw h LEU 87 Ca 0.02 -0.52 0.01 0.00 0.09 0.00 0.00 57.88 57.47 3gpw h LEU 87 Cb 1.08 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 3gpw h LEU 87 CO 0.11 0.72 0.02 0.22 0.09 0.00 0.00 178.44 179.59 3gpw h TYR 88 N -0.22 0.00 0.00 1.13 3.20 -1.25 -0.29 116.97 119.55 3gpw h TYR 88 Ca 0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3gpw h TYR 88 Cb 0.67 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.94 3gpw h TYR 88 CO 0.10 0.00 0.00 1.49 -1.64 0.00 0.00 178.16 178.11 3gpw h GLU 89 N 0.00 0.00 -0.34 1.82 4.81 -1.40 0.94 114.58 120.41 3gpw h GLU 89 Ca 0.01 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.10 3gpw h GLU 89 Cb 0.04 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.34 3gpw h GLU 89 CO -0.00 0.00 -0.03 0.54 -0.73 0.00 0.00 179.01 178.79 3gpw n ARG 90 N -2.75 2.11 -0.28 1.92 5.12 -0.12 -4.85 116.66 117.81 3gpw n ARG 90 Ca -0.02 -3.08 0.20 0.00 -1.93 0.00 0.00 57.85 53.03 3gpw n ARG 90 Cb 0.06 -1.83 0.39 0.00 -1.16 0.00 0.00 32.46 29.92 3gpw n ARG 90 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3gpw n ARG 91 N -0.98 -0.06 -0.90 5.56 3.00 0.32 -0.57 116.66 123.04 3gpw n ARG 91 Ca 0.31 1.22 -0.07 0.00 -0.00 0.00 0.00 57.85 59.30 3gpw n ARG 91 Cb 1.01 -2.07 0.23 0.00 0.00 0.00 0.00 32.46 31.63 3gpw n ARG 91 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3gpw n PHE 92 N -5.06 1.84 -2.66 -0.14 3.01 -1.26 -4.41 117.46 108.77 3gpw n PHE 92 Ca 0.27 -1.45 -0.03 0.00 1.01 0.00 0.00 57.45 57.24 3gpw n PHE 92 Cb 0.89 -0.61 0.08 0.00 -0.01 0.00 0.00 39.48 39.83 3gpw n PHE 92 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gpw n GLY 93 N -0.81 -1.20 3.73 1.37 0.00 0.27 -5.17 105.19 103.39 3gpw n GLY 93 Ca 0.39 0.62 -0.31 0.00 0.00 0.00 0.00 46.02 46.72 3gpw n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gpw s PRO 94 N 0.05 1.77 0.09 1.61 0.04 -0.06 -4.84 135.00 133.66 3gpw s PRO 94 Ca 0.17 1.18 -0.26 0.00 0.04 0.00 0.00 61.00 62.13 3gpw s PRO 94 Cb 0.25 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.88 3gpw s PRO 94 CO -0.15 -1.99 0.79 0.71 0.04 0.00 0.00 177.00 176.40 3gpw s TYR 95 N -2.85 3.81 -1.26 0.56 1.51 -1.26 -4.96 117.35 112.90 3gpw s TYR 95 Ca 0.63 1.56 -0.12 0.00 -1.01 0.00 0.00 57.07 58.13 3gpw s TYR 95 Cb -0.19 -2.82 0.16 0.00 -0.11 0.00 0.00 41.96 39.00 3gpw s TYR 95 CO 0.57 0.36 1.66 1.19 -1.11 0.00 0.00 175.55 178.22 3gpw n PHE 96 N 2.36 4.11 -4.25 2.71 3.72 -1.26 -4.78 117.46 120.07 3gpw n PHE 96 Ca -0.03 -3.09 -0.14 0.00 -0.05 0.00 0.00 57.45 54.14 3gpw n PHE 96 Cb 0.50 -2.14 -0.10 0.00 -0.94 0.00 0.00 39.48 36.79 3gpw n PHE 96 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 3gpw s VAL 97 N 1.36 0.44 -0.48 -4.37 -7.23 -1.26 -1.08 120.40 107.78 3gpw s VAL 97 Ca 0.43 -1.98 0.03 0.00 -1.81 0.00 0.00 61.98 58.64 3gpw s VAL 97 Cb 0.03 -2.39 0.15 0.00 0.56 0.00 0.00 36.38 34.73 3gpw s VAL 97 CO 0.00 -0.19 0.32 -0.83 -0.31 0.00 0.00 175.10 174.09 3gpw s GLY 98 N -3.21 1.73 0.65 2.32 0.00 0.06 -3.75 107.32 105.11 3gpw s GLY 98 Ca 0.32 -2.75 -0.15 0.00 0.00 0.00 0.00 44.72 42.15 3gpw s GLY 98 CO 0.09 1.66 1.09 -4.14 0.00 0.00 0.00 173.10 171.80 3gpw s PRO 99 N -0.04 2.92 -0.11 2.90 0.02 -1.26 -2.77 135.00 136.68 3gpw s PRO 99 Ca 0.23 1.29 -0.05 0.00 0.02 0.00 0.00 61.00 62.50 3gpw s PRO 99 Cb -0.12 -1.97 0.05 0.00 0.02 0.00 0.00 34.50 32.48 3gpw s PRO 99 CO -0.09 -1.14 0.23 0.08 -0.33 0.00 0.00 177.00 175.75 3gpw s VAL 100 N -2.45 -0.20 -0.11 3.83 1.01 0.11 -2.42 120.40 120.16 3gpw s VAL 100 Ca 0.65 0.23 -0.03 0.00 0.00 0.00 0.00 61.98 62.83 3gpw s VAL 100 Cb -0.19 -0.37 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 3gpw s VAL 100 CO 0.42 0.09 -0.00 -0.69 0.00 0.00 0.00 175.10 174.92 3gpw s VAL 101 N 1.79 4.27 -0.04 2.92 1.01 0.13 -0.27 120.40 130.20 3gpw s VAL 101 Ca -0.04 -0.25 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 3gpw s VAL 101 Cb -0.11 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.46 3gpw s VAL 101 CO -0.08 0.57 0.13 0.00 0.00 0.00 0.00 175.10 175.73 3gpw s ALA 102 N -0.56 -0.33 0.00 5.51 0.00 0.30 -0.60 121.76 126.08 3gpw s ALA 102 Ca 0.09 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.34 3gpw s ALA 102 Cb -0.12 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.84 3gpw s ALA 102 CO 0.02 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.10 3gpw n GLY 103 N 2.71 -0.00 3.21 0.00 0.00 -0.25 -0.22 105.19 110.64 3gpw n GLY 103 Ca -0.14 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 3gpw n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gpw s ILE 104 N -2.00 1.90 -0.12 -0.61 1.01 -1.26 -0.37 121.20 119.75 3gpw s ILE 104 Ca 0.00 -0.95 -0.29 0.00 0.00 0.00 0.00 60.65 59.40 3gpw s ILE 104 Cb 0.00 -1.63 -0.05 0.00 0.01 0.00 0.00 42.46 40.79 3gpw s ILE 104 CO 0.00 0.53 1.79 0.21 0.00 0.00 0.00 174.94 177.47 3gpw s ASN 105 N 0.13 6.34 0.55 3.58 3.84 -0.56 -4.82 114.94 124.00 3gpw s ASN 105 Ca -0.11 2.06 0.32 0.00 0.21 0.00 0.00 52.86 55.35 3gpw s ASN 105 Cb -0.15 -2.53 1.75 0.00 -0.55 0.00 0.00 41.25 39.77 3gpw s ASN 105 CO 0.06 -1.22 1.97 0.77 -2.79 0.00 0.00 177.10 175.89 3gpw h SER 10 N 10.98 0.00 0.00 -4.21 4.64 -1.95 0.56 113.55 123.57 3gpw h SER 10 Ca -0.40 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.66 3gpw h SER 10 Cb 1.19 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.23 3gpw h SER 10 CO 0.97 0.00 -1.99 1.17 -0.87 0.00 0.00 176.83 176.11 3gpw n LYS 10 N -2.72 1.09 -0.00 4.77 4.81 -1.26 -4.60 118.16 120.25 3gpw n LYS 10 Ca -0.02 0.05 0.10 0.00 -0.87 0.00 0.00 58.31 57.57 3gpw n LYS 10 Cb 0.17 -1.36 -0.11 0.00 0.02 0.00 0.00 35.03 33.75 3gpw n LYS 10 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 3gpw n SER 10 N -2.77 0.78 0.00 3.14 3.41 -1.12 -4.96 113.62 112.10 3gpw n SER 10 Ca -0.27 -0.74 0.00 0.00 -0.26 0.00 0.00 58.87 57.59 3gpw n SER 10 Cb 0.90 1.14 0.00 0.00 -0.26 0.00 0.00 64.21 65.99 3gpw n SER 10 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gpw n GLY 106 N 1.45 1.00 3.72 5.00 0.00 0.20 -4.96 105.19 111.60 3gpw n GLY 106 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3gpw n GLY 106 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gpw s LYS 107 N -0.24 4.30 0.44 1.61 2.20 -1.26 -4.63 119.74 122.17 3gpw s LYS 107 Ca 0.00 2.17 -0.23 0.00 -0.36 0.00 0.00 55.97 57.55 3gpw s LYS 107 Cb 0.00 -3.20 -0.08 0.00 -1.51 0.00 0.00 37.83 33.04 3gpw s LYS 107 CO 0.00 -0.43 1.08 -2.14 -0.36 0.00 0.00 175.35 173.49 3gpw s PRO 108 N 0.63 3.93 -0.12 4.03 0.02 -1.26 -1.50 135.00 140.73 3gpw s PRO 108 Ca 0.63 1.54 -0.07 0.00 0.02 0.00 0.00 61.00 63.13 3gpw s PRO 108 Cb -0.39 -2.37 0.05 0.00 0.02 0.00 0.00 34.50 31.81 3gpw s PRO 108 CO 0.34 -0.35 0.29 0.12 -0.33 0.00 0.00 177.00 177.07 3gpw s PHE 109 N -1.72 -0.39 0.05 6.54 5.36 0.50 -4.94 117.98 123.39 3gpw s PHE 109 Ca 0.62 0.90 0.02 0.00 -0.96 0.00 0.00 56.93 57.51 3gpw s PHE 109 Cb -0.22 0.10 -0.03 0.00 -0.34 0.00 0.00 43.02 42.53 3gpw s PHE 109 CO 0.27 -0.25 -0.07 0.96 -1.46 0.00 0.00 175.22 174.68 3gpw s ILE 110 N 1.15 0.51 -0.10 3.12 -4.36 -1.26 -1.09 121.20 119.17 3gpw s ILE 110 Ca -0.08 -1.30 -0.30 0.00 -0.26 0.00 0.00 60.65 58.71 3gpw s ILE 110 Cb -0.09 -0.87 0.08 0.00 1.25 0.00 0.00 42.46 42.83 3gpw s ILE 110 CO -0.08 -0.54 0.75 0.00 0.24 0.00 0.00 174.94 175.30 3gpw s ALA 111 N -2.05 -1.80 0.31 2.27 0.00 0.23 -4.23 121.76 116.48 3gpw s ALA 111 Ca -0.05 1.46 0.10 0.00 0.00 0.00 0.00 51.96 53.47 3gpw s ALA 111 Cb -0.05 -0.30 -0.06 0.00 0.00 0.00 0.00 23.12 22.71 3gpw s ALA 111 CO -0.02 -0.35 -0.13 0.20 0.00 0.00 0.00 175.76 175.47 3gpw s GLY 112 N -0.95 2.00 0.01 0.00 0.00 0.63 0.19 107.32 109.20 3gpw s GLY 112 Ca -0.08 -1.97 -0.02 0.00 0.00 0.00 0.00 44.72 42.66 3gpw s GLY 112 CO 0.07 -1.97 0.01 -1.36 0.00 0.00 0.00 173.10 169.86 3gpw s PHE 113 N -2.66 0.18 0.83 1.90 0.08 -1.02 0.25 117.98 117.54 3gpw s PHE 113 Ca 0.31 -0.37 -0.07 0.00 0.12 0.00 0.00 56.93 56.92 3gpw s PHE 113 Cb 0.00 -0.14 0.17 0.00 -0.57 0.00 0.00 43.02 42.48 3gpw s PHE 113 CO 0.15 -0.19 1.14 0.16 -0.10 0.00 0.00 175.22 176.38 3gpw s ASP 114 N -1.26 3.75 0.37 1.36 3.84 -1.02 -3.97 116.67 119.74 3gpw s ASP 114 Ca -0.14 -0.17 0.26 0.00 -0.00 0.00 0.00 52.55 52.50 3gpw s ASP 114 Cb -0.08 -0.02 1.31 0.00 -1.38 0.00 0.00 42.92 42.74 3gpw s ASP 114 CO -0.00 -2.28 1.80 0.17 -0.00 0.00 0.00 175.17 174.86 3gpw h LEU 115 N -1.02 0.00 -3.38 2.11 -0.00 -1.86 -2.22 115.31 108.94 3gpw h LEU 115 Ca -0.39 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.34 3gpw h LEU 115 Cb 1.25 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.82 3gpw h LEU 115 CO 0.37 0.00 0.01 2.30 -0.00 0.00 0.00 178.44 181.13 3gpw n ILE 116 N -2.44 2.53 -0.38 0.15 -5.35 -1.26 -4.35 119.36 108.26 3gpw n ILE 116 Ca -0.00 -2.37 0.00 0.00 -0.27 0.00 0.00 62.75 60.10 3gpw n ILE 116 Cb 0.12 -0.31 0.00 0.00 -1.74 0.00 0.00 39.64 37.71 3gpw n ILE 116 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gpw n GLY 117 N -0.91 1.29 3.67 3.28 0.00 -0.83 -3.52 105.19 108.17 3gpw n GLY 117 Ca 0.32 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.90 3gpw n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gpw s ILE 119 N 4.42 4.87 -0.30 0.00 1.01 -1.26 -2.42 121.20 127.52 3gpw s ILE 119 Ca 0.90 2.00 -0.02 0.00 0.00 0.00 0.00 60.65 63.53 3gpw s ILE 119 Cb -0.50 -4.29 0.05 0.00 0.01 0.00 0.00 42.46 37.73 3gpw s ILE 119 CO 0.45 0.14 -0.01 -0.62 0.00 0.00 0.00 174.94 174.90 3gpw s ASP 120 N 1.01 4.85 -0.65 3.58 3.68 0.14 -4.98 116.67 124.30 3gpw s ASP 120 Ca 0.50 -1.25 -0.03 0.00 2.13 0.00 0.00 52.55 53.90 3gpw s ASP 120 Cb -0.20 -1.70 0.17 0.00 -1.45 0.00 0.00 42.92 39.73 3gpw s ASP 120 CO 0.25 -0.25 0.47 -0.70 0.13 0.00 0.00 175.17 175.07 3gpw s GLU 121 N 1.25 2.63 0.32 4.34 2.12 -1.26 -0.27 118.70 127.83 3gpw s GLU 121 Ca -0.05 -2.58 -0.04 0.00 0.36 0.00 0.00 54.97 52.67 3gpw s GLU 121 Cb -0.20 -3.76 -0.05 0.00 0.26 0.00 0.00 34.13 30.39 3gpw s GLU 121 CO -0.01 -1.18 0.57 0.00 -0.54 0.00 0.00 175.26 174.09 3gpw s ALA 122 N -0.14 3.63 -0.10 6.30 0.00 -1.26 -5.01 121.76 125.17 3gpw s ALA 122 Ca 0.18 -0.65 0.16 0.00 0.00 0.00 0.00 51.96 51.65 3gpw s ALA 122 Cb -0.19 -2.27 -0.17 0.00 0.00 0.00 0.00 23.12 20.49 3gpw s ALA 122 CO -0.04 0.14 0.75 0.36 0.00 0.00 0.00 175.76 176.97 3gpw n LYS 12 N -1.23 0.63 0.00 0.00 2.85 -1.26 -4.55 118.16 114.59 3gpw n LYS 12 Ca -0.02 0.23 0.00 0.00 -1.05 0.00 0.00 58.31 57.46 3gpw n LYS 12 Cb 0.55 -1.79 0.00 0.00 -0.65 0.00 0.00 35.03 33.14 3gpw n LYS 12 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 3gpw n ASP 123 N -2.91 0.00 -4.06 -5.58 5.68 -1.26 -4.47 116.55 103.94 3gpw n ASP 123 Ca -0.12 0.12 -0.10 0.00 -0.50 0.00 0.00 54.79 54.19 3gpw n ASP 123 Cb 0.90 -0.29 -0.08 0.00 -1.14 0.00 0.00 41.12 40.51 3gpw n ASP 123 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 3gpw s PHE 124 N -0.59 0.66 -0.09 2.11 -0.12 -1.26 -1.64 117.98 117.05 3gpw s PHE 124 Ca 0.00 -1.00 -0.06 0.00 -0.05 0.00 0.00 56.93 55.82 3gpw s PHE 124 Cb 0.00 -0.24 0.04 0.00 -0.63 0.00 0.00 43.02 42.18 3gpw s PHE 124 CO 0.00 -0.67 0.22 0.42 -0.05 0.00 0.00 175.22 175.14 3gpw s ILE 125 N -4.03 -0.03 0.20 -4.49 1.01 -0.50 -4.77 121.20 108.59 3gpw s ILE 125 Ca 0.23 0.10 0.10 0.00 0.00 0.00 0.00 60.65 61.08 3gpw s ILE 125 Cb 0.05 -0.33 -0.04 0.00 0.01 0.00 0.00 42.46 42.14 3gpw s ILE 125 CO 0.03 0.04 -0.19 0.68 0.00 0.00 0.00 174.94 175.50 3gpw s VAL 126 N 0.83 2.06 -0.15 2.92 -7.23 -1.26 -1.28 120.40 116.29 3gpw s VAL 126 Ca -0.06 -2.09 -0.29 0.00 -1.81 0.00 0.00 61.98 57.74 3gpw s VAL 126 Cb -0.07 -2.03 0.08 0.00 0.56 0.00 0.00 36.38 34.91 3gpw s VAL 126 CO -0.05 -0.33 0.75 -0.55 -0.31 0.00 0.00 175.10 174.60 3gpw s SER 127 N -2.94 -0.65 0.00 4.85 0.15 -0.68 -5.00 113.70 109.43 3gpw s SER 127 Ca 0.21 0.95 0.00 0.00 0.70 0.00 0.00 55.95 57.81 3gpw s SER 127 Cb -0.05 0.85 0.00 0.00 -1.71 0.00 0.00 66.02 65.11 3gpw s SER 127 CO 0.09 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.71 3gpw n GLY 128 N 1.58 0.87 0.09 9.45 0.00 -1.26 -1.25 105.19 114.67 3gpw n GLY 128 Ca -0.16 -2.32 0.09 0.00 0.00 0.00 0.00 46.02 43.63 3gpw n GLY 128 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gpw n THR 129 N -1.00 1.10 -1.65 2.61 -2.24 -0.74 -2.11 114.28 110.26 3gpw n THR 129 Ca 0.00 0.41 0.02 0.00 -2.27 0.00 0.00 64.05 62.21 3gpw n THR 129 Cb 0.00 -1.34 0.19 0.00 -2.10 0.00 0.00 70.33 67.08 3gpw n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gpw n ALA 130 N -1.68 3.86 -0.02 6.98 0.00 -1.26 -4.79 120.51 123.60 3gpw n ALA 130 Ca 0.01 -3.37 -0.00 0.00 0.00 0.00 0.00 53.44 50.08 3gpw n ALA 130 Cb 0.13 -0.36 0.29 0.00 0.00 0.00 0.00 19.45 19.51 3gpw n ALA 130 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gpw h SER 131 N 1.15 0.54 0.01 0.00 4.64 -1.69 -0.20 113.55 117.99 3gpw h SER 131 Ca 0.05 -0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3gpw h SER 131 Cb 1.09 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 3gpw h SER 131 CO 0.11 0.57 -0.00 0.44 -0.87 0.00 0.00 176.83 177.08 3gpw h ASP 132 N 0.56 -0.01 -0.60 4.97 3.45 -1.86 0.59 116.42 123.53 3gpw h ASP 132 Ca 0.12 -0.10 0.04 0.00 0.43 0.00 0.00 57.03 57.52 3gpw h ASP 132 Cb 0.28 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.01 3gpw h ASP 132 CO 0.00 0.10 0.34 1.56 -1.57 0.00 0.00 179.24 179.68 3gpw h GLN 133 N -0.11 0.65 -0.92 3.56 7.50 -1.86 -1.78 115.11 122.15 3gpw h GLN 133 Ca -0.00 -0.04 0.02 0.00 0.50 0.00 0.00 58.65 59.13 3gpw h GLN 133 Cb 0.11 -0.15 -0.05 0.00 0.05 0.00 0.00 27.48 27.45 3gpw h GLN 133 CO 0.00 0.43 0.61 -0.07 -1.50 0.00 0.00 178.83 178.29 3gpw h LEU 134 N 0.67 1.03 -0.68 1.46 3.38 -0.59 0.12 115.31 120.68 3gpw h LEU 134 Ca 0.25 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 3gpw h LEU 134 Cb 0.09 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3gpw h LEU 134 CO -0.13 0.73 0.24 -0.26 0.09 0.00 0.00 178.44 179.10 3gpw h PHE 135 N 1.20 1.08 -0.34 1.13 0.04 -0.23 -0.16 116.94 119.66 3gpw h PHE 135 Ca 0.35 -0.10 -0.04 0.00 2.80 0.00 0.00 57.97 60.98 3gpw h PHE 135 Cb -0.07 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 37.75 3gpw h PHE 135 CO -0.00 0.86 0.07 0.78 -0.60 0.00 0.00 178.31 179.42 3gpw h GLY 136 N 0.99 0.59 0.94 -1.45 0.00 -0.49 -0.66 103.07 102.99 3gpw h GLY 136 Ca 0.22 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 3gpw h GLY 136 CO -0.01 0.35 -0.14 -0.33 0.00 0.00 0.00 176.54 176.41 3gpw h MET 137 N 0.39 -0.38 0.06 4.80 2.86 -0.80 -3.01 114.93 118.85 3gpw h MET 137 Ca 0.11 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3gpw h MET 137 Cb 0.32 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 3gpw h MET 137 CO 0.00 -0.21 -0.05 0.00 1.06 0.00 0.00 176.91 177.71 3gpw h GLU 139 N -0.12 0.31 0.00 0.00 4.57 -1.14 -0.31 114.58 117.89 3gpw h GLU 139 Ca 0.00 -0.02 -0.19 0.00 -1.18 0.00 0.00 59.36 57.97 3gpw h GLU 139 Cb 0.11 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 3gpw h GLU 139 CO -0.01 0.21 -1.15 0.43 -1.18 0.00 0.00 179.01 177.31 3gpw n SER 140 N -4.46 1.85 0.26 1.04 7.64 -1.05 -4.45 113.62 114.45 3gpw n SER 140 Ca 0.17 0.46 0.14 0.00 1.01 0.00 0.00 58.87 60.65 3gpw n SER 140 Cb 0.68 -0.95 0.63 0.00 -1.01 0.00 0.00 64.21 63.56 3gpw n SER 140 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3gpw h LEU 141 N -1.00 0.00 -9.82 -3.43 3.38 -0.77 -3.46 115.31 100.21 3gpw h LEU 141 Ca -0.29 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.19 3gpw h LEU 141 Cb 1.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 3gpw h LEU 141 CO -0.18 0.11 0.29 -0.47 0.09 0.00 0.00 178.44 178.27 3gpw s TYR 142 N -3.76 3.79 -0.02 1.13 5.04 -0.14 -5.01 117.35 118.39 3gpw s TYR 142 Ca 0.00 1.74 -0.12 0.00 -2.44 0.00 0.00 57.07 56.24 3gpw s TYR 142 Cb 0.10 -2.87 0.02 0.00 0.35 0.00 0.00 41.96 39.56 3gpw s TYR 142 CO 0.58 0.34 0.26 -1.83 -1.34 0.00 0.00 175.55 173.56 3gpw s GLU 143 N -1.69 0.60 0.86 4.97 -1.05 -1.26 -4.97 118.70 116.16 3gpw s GLU 143 Ca 0.45 -0.21 -0.10 0.00 -0.15 0.00 0.00 54.97 54.96 3gpw s GLU 143 Cb -0.21 0.26 0.11 0.00 -0.44 0.00 0.00 34.13 33.86 3gpw s GLU 143 CO 0.26 -0.16 1.12 -2.14 0.95 0.00 0.00 175.26 175.29 3gpw s PRO 144 N -1.24 1.48 -1.27 -4.83 0.02 -1.26 -4.22 135.00 123.68 3gpw s PRO 144 Ca -0.13 1.33 -0.11 0.00 0.02 0.00 0.00 61.00 62.11 3gpw s PRO 144 Cb -0.06 -1.80 0.10 0.00 0.02 0.00 0.00 34.50 32.76 3gpw s PRO 144 CO 0.03 -2.24 0.48 0.09 -0.33 0.00 0.00 177.00 175.03 3gpw n ASN 145 N -3.94 -3.14 -4.77 2.53 4.13 -1.26 -4.95 115.26 103.85 3gpw n ASN 145 Ca 0.10 -0.47 -0.36 0.00 1.68 0.00 0.00 54.58 55.53 3gpw n ASN 145 Cb 0.53 -2.63 -0.00 0.00 -1.54 0.00 0.00 39.78 36.14 3gpw n ASN 145 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3gpw s LEU 146 N -6.50 3.91 0.58 3.41 1.43 -1.26 -4.13 118.68 116.12 3gpw s LEU 146 Ca 0.45 2.29 -0.15 0.00 -1.03 0.00 0.00 54.13 55.70 3gpw s LEU 146 Cb -0.24 -4.36 -0.05 0.00 0.03 0.00 0.00 46.19 41.57 3gpw s LEU 146 CO 0.55 -1.07 1.03 -1.61 0.23 0.00 0.00 176.35 175.48 3gpw s GLU 147 N -2.91 3.53 0.22 1.70 0.41 -1.26 -0.06 118.70 120.34 3gpw s GLU 147 Ca 0.67 1.01 -0.17 0.00 -0.41 0.00 0.00 54.97 56.08 3gpw s GLU 147 Cb -0.28 -2.07 0.24 0.00 -1.78 0.00 0.00 34.13 30.24 3gpw s GLU 147 CO 0.33 -0.62 1.57 -1.35 -0.49 0.00 0.00 175.26 174.70 3gpw h PRO 148 N 0.33 -0.05 -0.41 0.39 0.11 -1.95 0.32 132.00 130.74 3gpw h PRO 148 Ca -0.46 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 3gpw h PRO 148 Cb 1.20 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3gpw h PRO 148 CO 0.59 -0.04 0.25 0.93 -0.21 0.00 0.00 178.00 179.53 3gpw h GLU 149 N -0.06 0.55 0.09 1.05 3.07 -2.00 -1.16 114.58 116.12 3gpw h GLU 149 Ca 0.33 -0.04 -0.16 0.00 -0.50 0.00 0.00 59.36 58.99 3gpw h GLU 149 Cb 0.59 -0.12 0.02 0.00 -0.84 0.00 0.00 28.75 28.40 3gpw h GLU 149 CO -0.86 0.38 -0.67 -0.44 -1.40 0.00 0.00 179.01 176.02 3gpw h ASP 150 N 0.56 0.43 -0.39 1.42 3.45 -1.26 -3.22 116.42 117.41 3gpw h ASP 150 Ca 0.15 -0.90 0.03 0.00 0.43 0.00 0.00 57.03 56.73 3gpw h ASP 150 Cb -0.03 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 38.58 3gpw h ASP 150 CO -0.03 1.30 0.26 0.25 -1.57 0.00 0.00 179.24 179.45 3gpw h LEU 151 N -0.37 0.37 -0.53 1.55 5.85 -0.25 -1.06 115.31 120.87 3gpw h LEU 151 Ca -0.11 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 3gpw h LEU 151 Cb 1.48 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.40 3gpw h LEU 151 CO 0.13 0.25 0.31 0.15 -0.34 0.00 0.00 178.44 178.94 3gpw h PHE 152 N 0.43 0.71 -0.17 1.25 3.57 -1.26 0.97 116.94 122.43 3gpw h PHE 152 Ca 0.16 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 3gpw h PHE 152 Cb 0.10 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 3gpw h PHE 152 CO -0.00 0.50 0.06 0.93 -2.23 0.00 0.00 178.31 177.57 3gpw h GLU 153 N 0.71 0.26 0.49 1.11 4.39 -1.24 -1.74 114.58 118.56 3gpw h GLU 153 Ca 0.19 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 3gpw h GLU 153 Cb 0.00 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 3gpw h GLU 153 CO -0.03 0.35 -0.24 1.15 -1.16 0.00 0.00 179.01 179.08 3gpw h THR 154 N 0.11 0.50 -0.66 1.13 2.02 -1.03 -1.11 112.91 113.86 3gpw h THR 154 Ca 0.06 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 3gpw h THR 154 Cb 0.20 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 3gpw h THR 154 CO -0.00 0.00 0.35 -0.29 0.37 0.00 0.00 175.52 175.95 3gpw h ILE 155 N -0.67 1.20 -0.64 3.11 2.10 -0.85 -1.63 117.51 120.13 3gpw h ILE 155 Ca -0.07 -0.51 -0.08 0.00 1.08 0.00 0.00 64.86 65.28 3gpw h ILE 155 Cb 0.52 0.32 -0.02 0.00 -1.09 0.00 0.00 36.82 36.54 3gpw h ILE 155 CO 0.10 0.23 0.09 0.28 -1.08 0.00 0.00 178.15 177.77 3gpw h SER 156 N 0.92 1.03 0.49 2.19 0.02 -1.14 -1.31 113.55 115.74 3gpw h SER 156 Ca 0.23 -0.27 -0.12 0.00 -0.84 0.00 0.00 61.79 60.79 3gpw h SER 156 Cb 0.03 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 3gpw h SER 156 CO -0.04 1.03 -0.56 1.56 -1.14 0.00 0.00 176.83 177.68 3gpw h GLN 157 N 0.98 0.08 0.09 3.45 1.08 -0.83 -0.92 115.11 119.05 3gpw h GLN 157 Ca 0.19 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.34 3gpw h GLN 157 Cb 0.45 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 3gpw h GLN 157 CO 0.01 0.62 -0.04 0.00 -0.95 0.00 0.00 178.83 178.47 3gpw h ALA 158 N 1.37 -0.12 0.36 3.87 0.00 -1.02 -2.50 119.26 121.22 3gpw h ALA 158 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3gpw h ALA 158 Cb 1.01 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3gpw h ALA 158 CO 0.08 -0.37 -0.24 1.25 0.00 0.00 0.00 179.25 179.97 3gpw h LEU 159 N -0.51 -0.60 0.11 0.00 5.85 -1.19 -2.72 115.31 116.23 3gpw h LEU 159 Ca -0.01 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.77 3gpw h LEU 159 Cb 0.43 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 3gpw h LEU 159 CO 0.02 -0.38 -0.39 -0.07 -0.34 0.00 0.00 178.44 177.28 3gpw h LEU 160 N -0.59 -1.16 -1.60 2.25 4.07 -1.24 -1.07 115.31 115.98 3gpw h LEU 160 Ca -0.04 0.13 -0.00 0.00 0.08 0.00 0.00 57.88 58.05 3gpw h LEU 160 Cb 0.49 0.44 -0.00 0.00 1.08 0.00 0.00 40.66 42.67 3gpw h LEU 160 CO 0.03 -0.47 -0.01 0.78 -1.08 0.00 0.00 178.44 177.69 3gpw h ASN 161 N -0.62 0.00 0.31 -0.43 2.35 -1.50 -2.34 115.58 113.34 3gpw h ASN 161 Ca 0.03 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.45 3gpw h ASN 161 Cb 0.65 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.05 3gpw h ASN 161 CO -0.24 0.01 -1.50 0.00 -1.65 0.00 0.00 177.43 174.05 3gpw h ALA 162 N 1.99 -0.06 0.00 -0.83 0.00 -1.20 -3.27 119.26 115.88 3gpw h ALA 162 Ca -0.00 -0.92 -0.05 0.00 0.00 0.00 0.00 54.91 53.94 3gpw h ALA 162 Cb 0.47 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3gpw h ALA 162 CO 0.00 0.80 -0.26 0.00 0.00 0.00 0.00 179.25 179.80 3gpw h ALA 163 N 0.22 1.57 0.00 0.00 0.00 -0.88 -2.46 119.26 117.70 3gpw h ALA 163 Ca -0.26 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3gpw h ALA 163 Cb 2.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.88 3gpw h ALA 163 CO 0.25 0.32 0.00 -0.25 0.00 0.00 0.00 179.25 179.57 3gpw n ASP 164 N -4.22 0.00 -0.43 0.00 10.43 -0.91 -2.20 116.55 119.22 3gpw n ASP 164 Ca -0.02 -0.62 0.04 0.00 2.57 0.00 0.00 54.79 56.75 3gpw n ASP 164 Cb 0.31 -0.11 0.10 0.00 1.84 0.00 0.00 41.12 43.26 3gpw n ASP 164 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3gpw n ARG 165 N -1.11 2.66 -4.01 -1.24 5.12 -0.93 -4.94 116.66 112.21 3gpw n ARG 165 Ca 0.19 -1.80 -0.30 0.00 -1.93 0.00 0.00 57.85 54.01 3gpw n ARG 165 Cb 0.15 -1.18 -0.16 0.00 -1.16 0.00 0.00 32.46 30.10 3gpw n ARG 165 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3gpw s ASP 166 N -0.97 2.79 0.33 0.55 3.68 -0.93 -5.01 116.67 117.12 3gpw s ASP 166 Ca 0.15 -0.55 0.03 0.00 2.13 0.00 0.00 52.55 54.32 3gpw s ASP 166 Cb 0.08 -1.18 0.64 0.00 -1.45 0.00 0.00 42.92 41.01 3gpw s ASP 166 CO 0.11 -0.07 1.94 0.00 0.13 0.00 0.00 175.17 177.27 3gpw h ALA 167 N 8.04 1.61 -0.32 3.66 0.00 -1.92 -2.58 119.26 127.76 3gpw h ALA 167 Ca -0.36 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3gpw h ALA 167 Cb 1.13 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3gpw h ALA 167 CO 0.52 0.26 0.00 1.28 0.00 0.00 0.00 179.25 181.31 3gpw n LEU 168 N -4.48 1.99 -4.38 0.00 4.77 -1.26 -4.92 117.00 108.71 3gpw n LEU 168 Ca 0.12 -0.94 -0.21 0.00 -0.03 0.00 0.00 56.01 54.95 3gpw n LEU 168 Cb 0.21 -0.21 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 3gpw n LEU 168 CO 0.33 0.47 -0.46 -0.44 -1.33 0.00 0.00 177.39 175.96 3gpw s SER 169 N -1.19 2.90 0.00 -1.43 0.01 -0.97 -2.74 113.70 110.28 3gpw s SER 169 Ca 0.28 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.55 3gpw s SER 169 Cb 0.15 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.19 3gpw s SER 169 CO 0.21 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.39 3gpw n GLY 170 N -0.31 0.09 2.54 3.44 0.00 -1.26 -4.77 105.19 104.92 3gpw n GLY 170 Ca -0.08 -1.83 -0.20 0.00 0.00 0.00 0.00 46.02 43.91 3gpw n GLY 170 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3gpw n TRP 171 N 0.00 -1.26 0.00 1.61 7.02 -1.26 -2.36 117.44 121.19 3gpw n TRP 171 Ca 0.00 0.10 0.00 0.00 -1.02 0.00 0.00 57.50 56.58 3gpw n TRP 171 Cb 0.00 -3.83 0.00 0.00 -2.42 0.00 0.00 31.31 25.06 3gpw n TRP 171 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3gpw n GLY 172 N -1.07 3.27 3.34 6.99 0.00 -1.26 -4.47 105.19 111.99 3gpw n GLY 172 Ca -0.20 -1.95 -0.12 0.00 0.00 0.00 0.00 46.02 43.75 3gpw n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gpw s ALA 173 N -2.87 -1.08 -0.06 4.61 0.00 -1.26 -0.98 121.76 120.11 3gpw s ALA 173 Ca 0.00 0.20 -0.04 0.00 0.00 0.00 0.00 51.96 52.12 3gpw s ALA 173 Cb 0.00 0.58 0.03 0.00 0.00 0.00 0.00 23.12 23.73 3gpw s ALA 173 CO 0.00 -0.59 0.15 0.54 0.00 0.00 0.00 175.76 175.85 3gpw s VAL 174 N -3.28 -0.02 -0.08 0.00 0.11 -0.32 -1.82 120.40 115.00 3gpw s VAL 174 Ca -0.00 0.08 0.04 0.00 -2.93 0.00 0.00 61.98 59.17 3gpw s VAL 174 Cb 0.01 -0.23 -0.00 0.00 -1.53 0.00 0.00 36.38 34.63 3gpw s VAL 174 CO -0.08 0.03 -0.22 -0.69 -3.33 0.00 0.00 175.10 170.81 3gpw s VAL 175 N 0.58 1.88 -0.25 2.04 1.01 0.11 -1.96 120.40 123.82 3gpw s VAL 175 Ca -0.04 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 60.93 3gpw s VAL 175 Cb -0.06 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 3gpw s VAL 175 CO -0.03 0.52 0.05 -0.31 0.00 0.00 0.00 175.10 175.33 3gpw s TYR 176 N 0.19 3.06 -0.26 5.22 2.02 -0.03 -0.73 117.35 126.83 3gpw s TYR 176 Ca -0.12 -0.55 -0.08 0.00 -0.37 0.00 0.00 57.07 55.95 3gpw s TYR 176 Cb -0.16 -2.21 -0.04 0.00 -0.40 0.00 0.00 41.96 39.15 3gpw s TYR 176 CO 0.06 -0.41 0.11 0.42 -1.57 0.00 0.00 175.55 174.16 3gpw s ILE 177 N 1.58 4.63 -0.10 2.71 -1.09 0.08 -1.75 121.20 127.26 3gpw s ILE 177 Ca 0.06 -0.06 0.02 0.00 -2.23 0.00 0.00 60.65 58.44 3gpw s ILE 177 Cb -0.15 -3.18 -0.01 0.00 -1.58 0.00 0.00 42.46 37.54 3gpw s ILE 177 CO 0.02 0.32 -0.18 -0.63 -1.23 0.00 0.00 174.94 173.24 3gpw s ILE 178 N 1.61 2.61 0.18 2.92 1.01 0.85 -1.34 121.20 129.05 3gpw s ILE 178 Ca 0.06 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.91 3gpw s ILE 178 Cb -0.15 -2.04 -0.05 0.00 0.01 0.00 0.00 42.46 40.23 3gpw s ILE 178 CO 0.06 0.55 -0.04 -0.54 0.00 0.00 0.00 174.94 174.96 3gpw s LYS 179 N 0.14 1.18 0.27 2.79 1.02 -0.12 -1.43 119.74 123.59 3gpw s LYS 179 Ca -0.10 -1.55 -0.04 0.00 0.02 0.00 0.00 55.97 54.30 3gpw s LYS 179 Cb -0.16 -0.55 0.54 0.00 -0.52 0.00 0.00 37.83 37.15 3gpw s LYS 179 CO 0.06 -0.03 1.61 0.87 -0.92 0.00 0.00 175.35 176.93 3gpw h LYS 181 N 2.64 0.07 0.05 1.68 1.79 -1.94 -3.19 116.57 117.67 3gpw h LYS 181 Ca -0.37 -0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 57.73 3gpw h LYS 181 Cb 1.21 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.80 3gpw h LYS 181 CO 0.64 0.04 -2.06 -0.40 -1.08 0.00 0.00 179.45 176.59 3gpw n ASP 182 N -5.41 2.02 -4.35 0.86 5.75 -1.26 -5.03 116.55 109.12 3gpw n ASP 182 Ca 0.17 0.18 -0.19 0.00 -0.01 0.00 0.00 54.79 54.94 3gpw n ASP 182 Cb 0.56 -0.76 -0.10 0.00 -1.03 0.00 0.00 41.12 39.79 3gpw n ASP 182 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 3gpw s GLU 183 N -2.50 1.35 -0.05 0.11 -1.05 -1.21 -5.14 118.70 110.21 3gpw s GLU 183 Ca -0.29 -1.61 -0.01 0.00 -0.15 0.00 0.00 54.97 52.91 3gpw s GLU 183 Cb 0.08 -1.09 0.03 0.00 -0.44 0.00 0.00 34.13 32.71 3gpw s GLU 183 CO 0.65 0.15 0.02 0.08 0.95 0.00 0.00 175.26 177.12 3gpw s VAL 184 N -3.01 0.14 -0.09 1.83 1.01 -1.26 -0.94 120.40 118.07 3gpw s VAL 184 Ca 0.23 0.23 -0.01 0.00 0.00 0.00 0.00 61.98 62.43 3gpw s VAL 184 Cb 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 3gpw s VAL 184 CO 0.07 0.20 -0.03 -0.69 0.00 0.00 0.00 175.10 174.65 3gpw s VAL 185 N 1.80 4.01 -0.17 2.92 1.01 -0.45 -4.97 120.40 124.56 3gpw s VAL 185 Ca 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.64 3gpw s VAL 185 Cb -0.12 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.58 3gpw s VAL 185 CO -0.03 0.58 -0.16 -0.75 0.00 0.00 0.00 175.10 174.74 3gpw s LYS 186 N -0.60 3.16 -0.05 2.72 2.20 -1.26 -0.75 119.74 125.16 3gpw s LYS 186 Ca 0.09 -0.76 0.04 0.00 -0.36 0.00 0.00 55.97 54.99 3gpw s LYS 186 Cb -0.12 -2.65 -0.00 0.00 -1.51 0.00 0.00 37.83 33.55 3gpw s LYS 186 CO 0.02 -0.08 -0.19 1.03 -0.36 0.00 0.00 175.35 175.77 3gpw s ARG 187 N 1.05 2.03 -0.08 4.03 0.52 0.09 -4.96 118.95 121.63 3gpw s ARG 187 Ca -0.01 -0.68 -0.15 0.00 -0.52 0.00 0.00 55.73 54.37 3gpw s ARG 187 Cb -0.15 -1.72 -0.05 0.00 0.52 0.00 0.00 34.95 33.55 3gpw s ARG 187 CO -0.04 0.25 0.39 0.71 0.02 0.00 0.00 175.30 176.63 3gpw s TYR 188 N 0.07 3.60 0.28 -0.53 1.51 -1.26 0.09 117.35 121.10 3gpw s TYR 188 Ca -0.06 0.85 0.02 0.00 -1.01 0.00 0.00 57.07 56.87 3gpw s TYR 188 Cb -0.13 -2.37 -0.03 0.00 -0.11 0.00 0.00 41.96 39.32 3gpw s TYR 188 CO 0.03 0.41 0.46 -0.51 -1.11 0.00 0.00 175.55 174.82 3gpw s LEU 189 N -0.20 4.16 -0.26 -1.29 1.43 -0.75 -4.99 118.68 116.78 3gpw s LEU 189 Ca 0.22 0.32 -0.10 0.00 -1.03 0.00 0.00 54.13 53.55 3gpw s LEU 189 Cb -0.15 -3.14 -0.04 0.00 0.03 0.00 0.00 46.19 42.88 3gpw s LEU 189 CO 0.10 -0.17 0.15 -0.75 0.23 0.00 0.00 176.35 175.90 3gpw s LYS 190 N -4.00 3.91 0.27 1.70 2.20 -1.26 -4.28 119.74 118.28 3gpw s LYS 190 Ca 0.38 -0.35 -0.06 0.00 -0.36 0.00 0.00 55.97 55.58 3gpw s LYS 190 Cb -0.10 -3.52 -0.01 0.00 -1.51 0.00 0.00 37.83 32.69 3gpw s LYS 190 CO 0.32 -0.09 0.39 0.00 -0.36 0.00 0.00 175.35 175.61 3gpw s MET 191 N 1.44 1.60 0.77 4.03 0.23 -1.26 -5.08 119.30 121.03 3gpw s MET 191 Ca 0.07 -1.54 -0.15 0.00 -1.03 0.00 0.00 55.69 53.03 3gpw s MET 191 Cb -0.15 0.41 -0.02 0.00 -1.53 0.00 0.00 34.83 33.54 3gpw s MET 191 CO 0.07 -0.63 0.55 0.54 -2.03 0.00 0.00 175.02 173.51 3gpw n ARG 192 N -0.43 0.19 -1.26 3.16 1.74 -1.26 -4.86 116.66 113.94 3gpw n ARG 192 Ca 0.00 0.11 -0.04 0.00 -0.77 0.00 0.00 57.85 57.15 3gpw n ARG 192 Cb 0.63 -1.88 0.12 0.00 -1.02 0.00 0.00 32.46 30.31 3gpw n ARG 192 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3gpw n GLN 193 N -1.08 2.09 0.00 5.56 1.13 -1.26 -4.20 117.38 119.62 3gpw n GLN 193 Ca 0.10 -3.47 0.00 0.00 -1.94 0.00 0.00 57.00 51.69 3gpw n GLN 193 Cb 0.51 -1.68 0.00 0.00 0.11 0.00 0.00 30.24 29.18 3gpw n GLN 193 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22