#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ggw s ILE 2 N 0.00 4.97 -0.19 0.53 1.01 -1.26 -5.03 121.20 121.23 3ggw s ILE 2 Ca 0.00 1.60 -0.17 0.00 0.00 0.00 0.00 60.65 62.08 3ggw s ILE 2 Cb 0.00 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 3ggw s ILE 2 CO 0.00 0.25 0.43 -0.69 0.00 0.00 0.00 174.94 174.93 3ggw s VAL 3 N 0.72 5.18 -0.23 2.92 1.01 -1.26 -4.79 120.40 123.95 3ggw s VAL 3 Ca 0.41 0.79 -0.06 0.00 0.00 0.00 0.00 61.98 63.12 3ggw s VAL 3 Cb -0.19 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 3ggw s VAL 3 CO 0.21 0.25 0.04 -0.04 0.00 0.00 0.00 175.10 175.56 3ggw s MET 4 N 1.22 3.61 -0.21 2.72 1.00 -1.26 -1.86 119.30 124.53 3ggw s MET 4 Ca 0.21 -0.51 -0.04 0.00 0.00 0.00 0.00 55.69 55.35 3ggw s MET 4 Cb -0.15 -3.22 -0.02 0.00 0.00 0.00 0.00 34.83 31.44 3ggw s MET 4 CO 0.08 -0.14 -0.02 0.99 0.00 0.00 0.00 175.02 175.93 3ggw s THR 5 N 1.45 3.66 0.01 2.05 2.01 0.34 -4.20 115.64 120.96 3ggw s THR 5 Ca 0.05 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 61.68 3ggw s THR 5 Cb -0.15 -2.66 -0.01 0.00 0.01 0.00 0.00 72.50 69.70 3ggw s THR 5 CO 0.02 0.43 -0.10 -1.10 -0.69 0.00 0.00 174.62 173.17 3ggw s GLN 6 N 1.19 0.78 0.35 4.92 -0.21 -1.26 -1.48 119.66 123.95 3ggw s GLN 6 Ca 0.03 -0.46 -0.28 0.00 0.02 0.00 0.00 55.36 54.67 3ggw s GLN 6 Cb -0.14 -0.74 -0.10 0.00 1.00 0.00 0.00 33.01 33.02 3ggw s GLN 6 CO 0.00 0.20 1.25 0.00 -2.12 0.00 0.00 175.29 174.61 3ggw s ALA 7 N -0.45 3.38 0.44 6.09 0.00 -1.26 -4.63 121.76 125.33 3ggw s ALA 7 Ca 0.02 1.14 0.13 0.00 0.00 0.00 0.00 51.96 53.25 3ggw s ALA 7 Cb -0.05 -3.44 0.98 0.00 0.00 0.00 0.00 23.12 20.61 3ggw s ALA 7 CO 0.00 -0.57 2.00 0.00 0.00 0.00 0.00 175.76 177.19 3ggw h ALA 8 N 3.20 1.70 -2.29 0.00 0.00 -1.96 -3.33 119.26 116.58 3ggw h ALA 8 Ca -0.49 -0.14 -0.27 0.00 0.00 0.00 0.00 54.91 54.01 3ggw h ALA 8 Cb 1.23 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.83 3ggw h ALA 8 CO 0.65 0.23 -0.67 -0.06 0.00 0.00 0.00 179.25 179.40 3ggw s PHE 9 N -4.76 1.15 0.34 0.00 0.08 -1.26 -0.80 117.98 112.71 3ggw s PHE 9 Ca -0.05 -1.02 0.07 0.00 0.12 0.00 0.00 56.93 56.05 3ggw s PHE 9 Cb 0.16 -0.65 -0.07 0.00 -0.57 0.00 0.00 43.02 41.89 3ggw s PHE 9 CO 0.70 -0.23 -0.04 -1.54 -0.10 0.00 0.00 175.22 174.02 3ggw s SER 10 N -3.15 3.26 0.30 1.36 1.04 -1.22 -4.88 113.70 110.41 3ggw s SER 10 Ca 0.22 -1.26 -0.29 0.00 0.48 0.00 0.00 55.95 55.10 3ggw s SER 10 Cb 0.06 -0.26 -0.11 0.00 0.10 0.00 0.00 66.02 65.81 3ggw s SER 10 CO 0.03 -0.36 1.48 0.20 0.98 0.00 0.00 173.24 175.56 3ggw s ASN 11 N -3.56 6.52 0.48 7.02 0.02 -1.26 -4.69 114.94 119.47 3ggw s ASN 11 Ca 0.33 2.83 -0.23 0.00 -1.02 0.00 0.00 52.86 54.77 3ggw s ASN 11 Cb 0.06 -2.64 -0.08 0.00 0.02 0.00 0.00 41.25 38.60 3ggw s ASN 11 CO 0.15 -0.78 1.13 -2.65 0.02 0.00 0.00 177.10 174.97 3ggw n PRO 12 N 1.67 1.48 -5.05 -0.60 -0.02 -1.26 -4.74 135.00 126.47 3ggw n PRO 12 Ca 0.05 0.54 -0.32 0.00 -2.02 0.00 0.00 63.50 61.74 3ggw n PRO 12 Cb 0.39 -2.25 -0.16 0.00 -0.02 0.00 0.00 33.50 31.47 3ggw n PRO 12 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3ggw s VAL 13 N -1.31 2.48 0.34 -1.45 0.11 -0.18 -4.67 120.40 115.72 3ggw s VAL 13 Ca 0.66 -0.89 -0.28 0.00 -2.93 0.00 0.00 61.98 58.55 3ggw s VAL 13 Cb -0.49 -1.97 -0.09 0.00 -1.53 0.00 0.00 36.38 32.29 3ggw s VAL 13 CO 0.54 0.55 1.18 -0.89 -3.33 0.00 0.00 175.10 173.16 3ggw s THR 14 N 0.11 3.15 0.28 5.04 2.01 -1.26 0.52 115.64 125.49 3ggw s THR 14 Ca -0.10 1.09 -0.29 0.00 0.31 0.00 0.00 61.69 62.70 3ggw s THR 14 Cb -0.16 -3.66 -0.14 0.00 0.01 0.00 0.00 72.50 68.56 3ggw s THR 14 CO 0.06 0.20 1.20 0.18 -0.69 0.00 0.00 174.62 175.57 3ggw n LEU 15 N 0.66 2.53 0.00 4.42 4.77 -1.26 -1.89 117.00 126.23 3ggw n LEU 15 Ca 0.01 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 57.17 3ggw n LEU 15 Cb 0.45 -1.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.17 3ggw n LEU 15 CO 0.54 -0.93 0.00 0.61 -1.33 0.00 0.00 177.39 176.28 3ggw n GLY 16 N 1.42 1.93 3.95 -0.72 0.00 0.07 -4.90 105.19 106.94 3ggw n GLY 16 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 3ggw n GLY 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ggw s THR 17 N -2.95 2.07 -0.05 2.61 -4.23 -0.79 -4.46 115.64 107.84 3ggw s THR 17 Ca 0.00 -1.27 -0.17 0.00 -1.18 0.00 0.00 61.69 59.07 3ggw s THR 17 Cb 0.00 -2.34 -0.05 0.00 1.34 0.00 0.00 72.50 71.45 3ggw s THR 17 CO 0.00 0.00 0.47 -0.55 -0.54 0.00 0.00 174.62 174.00 3ggw s SER 18 N -4.39 6.78 -0.05 3.99 0.15 -0.85 -0.76 113.70 118.57 3ggw s SER 18 Ca 0.47 0.93 0.01 0.00 0.70 0.00 0.00 55.95 58.07 3ggw s SER 18 Cb -0.04 -2.29 -0.03 0.00 -1.71 0.00 0.00 66.02 61.95 3ggw s SER 18 CO 0.29 0.13 -0.07 0.00 1.20 0.00 0.00 173.24 174.79 3ggw s ALA 19 N -0.12 2.97 -0.11 5.45 0.00 0.92 -4.97 121.76 125.89 3ggw s ALA 19 Ca 0.26 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.33 3ggw s ALA 19 Cb -0.16 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.77 3ggw s ALA 19 CO 0.13 0.58 -0.24 -1.12 0.00 0.00 0.00 175.76 175.11 3ggw s SER 20 N -0.93 3.09 -0.13 0.00 0.01 -1.26 -0.49 113.70 114.00 3ggw s SER 20 Ca 0.13 -0.57 0.02 0.00 1.31 0.00 0.00 55.95 56.84 3ggw s SER 20 Cb -0.11 -1.42 -0.00 0.00 0.21 0.00 0.00 66.02 64.70 3ggw s SER 20 CO 0.03 0.14 -0.19 -0.63 0.41 0.00 0.00 173.24 173.00 3ggw s ILE 21 N 0.45 2.41 0.24 1.44 1.01 0.11 -4.96 121.20 121.91 3ggw s ILE 21 Ca -0.16 -0.87 0.08 0.00 0.00 0.00 0.00 60.65 59.70 3ggw s ILE 21 Cb -0.17 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 3ggw s ILE 21 CO 0.06 0.54 0.07 -0.44 0.00 0.00 0.00 174.94 175.17 3ggw s SER 22 N 0.60 4.93 -0.07 3.58 0.01 -1.26 -0.39 113.70 121.10 3ggw s SER 22 Ca -0.11 -0.46 -0.19 0.00 1.31 0.00 0.00 55.95 56.50 3ggw s SER 22 Cb -0.16 -1.07 0.04 0.00 0.21 0.00 0.00 66.02 65.03 3ggw s SER 22 CO 0.03 0.00 0.45 0.00 0.41 0.00 0.00 173.24 174.14 3ggw s ARG 24 N -0.87 0.63 0.16 0.00 1.70 -0.55 -0.16 118.95 119.86 3ggw s ARG 24 Ca -0.09 -0.97 0.10 0.00 -0.47 0.00 0.00 55.73 54.30 3ggw s ARG 24 Cb -0.03 -0.23 -0.04 0.00 -0.57 0.00 0.00 34.95 34.07 3ggw s ARG 24 CO 0.05 0.02 -0.21 -1.54 -1.08 0.00 0.00 175.30 172.54 3ggw s SER 25 N -2.14 3.66 0.00 -2.89 1.04 0.05 -0.50 113.70 112.92 3ggw s SER 25 Ca -0.02 -0.71 0.29 0.00 0.48 0.00 0.00 55.95 55.99 3ggw s SER 25 Cb -0.04 -0.40 1.27 0.00 0.10 0.00 0.00 66.02 66.95 3ggw s SER 25 CO -0.02 0.15 1.94 -1.54 0.98 0.00 0.00 173.24 174.75 3ggw n SER 26 N 0.53 0.00 -4.03 7.02 3.41 -0.78 -4.75 113.62 115.04 3ggw n SER 26 Ca -0.14 0.42 -0.12 0.00 -0.26 0.00 0.00 58.87 58.77 3ggw n SER 26 Cb 0.54 -0.47 -0.11 0.00 -0.26 0.00 0.00 64.21 63.91 3ggw n SER 26 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3ggw s LYS 27 N -2.95 0.44 0.00 4.33 1.02 -1.26 -4.98 119.74 116.33 3ggw s LYS 27 Ca 0.16 -0.67 -0.00 0.00 0.02 0.00 0.00 55.97 55.48 3ggw s LYS 27 Cb 0.19 -0.15 0.00 0.00 -0.52 0.00 0.00 37.83 37.36 3ggw s LYS 27 CO 0.52 0.02 0.00 0.45 -0.92 0.00 0.00 175.35 175.42 3ggw n SER 27 N 1.59 -1.83 -1.74 2.83 2.88 -1.26 -4.73 113.62 111.36 3ggw n SER 27 Ca -0.23 -0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.23 3ggw n SER 27 Cb 0.55 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 3ggw n SER 27 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3ggw n LEU 27 N 0.00 -3.25 -4.91 2.46 7.94 -1.26 -5.01 117.00 112.97 3ggw n LEU 27 Ca 0.00 2.19 -0.20 0.00 -1.11 0.00 0.00 56.01 56.89 3ggw n LEU 27 Cb 0.00 -2.40 -0.02 0.00 0.53 0.00 0.00 43.42 41.53 3ggw n LEU 27 CO 0.00 -0.50 -0.02 -2.28 -1.11 0.00 0.00 177.39 173.48 3ggw s HIS 27 N -1.26 2.99 -0.29 1.96 5.65 0.08 -4.99 115.29 119.44 3ggw s HIS 27 Ca 0.00 -0.27 0.25 0.00 0.25 0.00 0.00 55.06 55.29 3ggw s HIS 27 Cb 0.00 -1.89 1.14 0.00 -1.18 0.00 0.00 32.58 30.66 3ggw s HIS 27 CO 0.00 0.10 1.75 0.66 -0.65 0.00 0.00 174.74 176.60 3ggw h SER 27 N 1.09 0.00 0.00 9.88 4.64 -2.03 -1.27 113.55 125.86 3ggw h SER 27 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3ggw h SER 27 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3ggw h SER 27 CO 0.56 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.62 3ggw n ASP 28 N -2.36 0.00 0.00 4.97 5.68 -1.26 -4.91 116.55 118.67 3ggw n ASP 28 Ca 0.01 -0.97 0.00 0.00 -0.50 0.00 0.00 54.79 53.32 3ggw n ASP 28 Cb 0.17 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 3ggw n ASP 28 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ggw n GLY 29 N 0.80 1.18 3.88 6.12 0.00 -0.48 -5.03 105.19 111.66 3ggw n GLY 29 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 3ggw n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ggw s ILE 30 N -3.22 5.26 -0.29 -0.61 1.01 -1.26 -4.89 121.20 117.21 3ggw s ILE 30 Ca 0.00 0.30 -0.05 0.00 0.00 0.00 0.00 60.65 60.89 3ggw s ILE 30 Cb 0.00 -3.58 0.02 0.00 0.01 0.00 0.00 42.46 38.91 3ggw s ILE 30 CO 0.00 0.41 0.05 -0.89 0.00 0.00 0.00 174.94 174.51 3ggw s THR 31 N -1.26 3.69 -1.36 2.92 2.01 -1.26 -0.74 115.64 119.64 3ggw s THR 31 Ca 0.26 -0.80 -0.08 0.00 0.31 0.00 0.00 61.69 61.38 3ggw s THR 31 Cb -0.14 -2.91 0.10 0.00 0.01 0.00 0.00 72.50 69.57 3ggw s THR 31 CO 0.15 0.09 2.27 -1.22 -0.69 0.00 0.00 174.62 175.22 3ggw n TYR 32 N 4.81 2.77 -4.87 4.92 4.02 -1.26 -2.73 117.16 124.82 3ggw n TYR 32 Ca -0.15 -2.86 -0.33 0.00 -0.01 0.00 0.00 57.90 54.55 3ggw n TYR 32 Cb 0.47 -2.03 -0.14 0.00 -0.02 0.00 0.00 39.34 37.62 3ggw n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3ggw s LEU 33 N -0.71 2.65 0.07 7.72 1.98 -1.26 -1.43 118.68 127.69 3ggw s LEU 33 Ca 0.50 -0.31 0.06 0.00 -2.89 0.00 0.00 54.13 51.50 3ggw s LEU 33 Cb 0.15 -1.57 -0.03 0.00 0.66 0.00 0.00 46.19 45.40 3ggw s LEU 33 CO -0.05 0.23 -0.17 -0.31 -1.89 0.00 0.00 176.35 174.16 3ggw s TYR 34 N -0.04 1.45 -0.05 5.38 1.51 0.24 -0.62 117.35 125.22 3ggw s TYR 34 Ca -0.04 -0.42 0.06 0.00 -1.01 0.00 0.00 57.07 55.67 3ggw s TYR 34 Cb -0.14 -0.82 -0.01 0.00 -0.11 0.00 0.00 41.96 40.88 3ggw s TYR 34 CO 0.04 0.10 -0.25 -1.58 -1.11 0.00 0.00 175.55 172.75 3ggw s TRP 35 N -1.12 2.40 0.11 2.71 0.52 -0.49 -1.06 118.94 122.00 3ggw s TRP 35 Ca 0.02 -0.67 0.08 0.00 0.02 0.00 0.00 56.10 55.55 3ggw s TRP 35 Cb -0.10 -1.57 -0.04 0.00 -1.15 0.00 0.00 33.47 30.62 3ggw s TRP 35 CO 0.03 -0.18 -0.20 0.71 0.02 0.00 0.00 176.95 177.33 3ggw s TYR 36 N -0.24 1.74 -0.11 -1.98 1.51 0.31 -0.27 117.35 118.31 3ggw s TYR 36 Ca -0.01 -0.44 0.03 0.00 -1.01 0.00 0.00 57.07 55.64 3ggw s TYR 36 Cb -0.13 -0.94 -0.00 0.00 -0.11 0.00 0.00 41.96 40.78 3ggw s TYR 36 CO 0.03 0.21 -0.21 -1.17 -1.11 0.00 0.00 175.55 173.31 3ggw s LEU 37 N -2.05 2.28 -0.29 -1.29 2.96 -0.17 -0.41 118.68 119.71 3ggw s LEU 37 Ca 0.07 -0.49 -0.01 0.00 -0.22 0.00 0.00 54.13 53.48 3ggw s LEU 37 Cb -0.09 -1.47 0.05 0.00 0.50 0.00 0.00 46.19 45.17 3ggw s LEU 37 CO 0.04 0.16 -0.02 -1.58 -1.32 0.00 0.00 176.35 173.63 3ggw s GLN 38 N 0.38 2.47 0.44 1.98 0.74 0.16 -0.20 119.66 125.63 3ggw s GLN 38 Ca -0.16 -1.23 -0.13 0.00 0.05 0.00 0.00 55.36 53.89 3ggw s GLN 38 Cb -0.17 -3.13 -0.07 0.00 1.10 0.00 0.00 33.01 30.73 3ggw s GLN 38 CO 0.07 -0.59 0.85 0.15 -0.55 0.00 0.00 175.29 175.23 3ggw s LYS 39 N 1.25 3.85 0.15 1.67 1.02 -1.26 -1.25 119.74 125.17 3ggw s LYS 39 Ca -0.05 0.66 -0.34 0.00 0.02 0.00 0.00 55.97 56.26 3ggw s LYS 39 Cb -0.19 -2.30 -0.15 0.00 -0.52 0.00 0.00 37.83 34.68 3ggw s LYS 39 CO -0.02 -0.12 1.49 -2.30 -0.92 0.00 0.00 175.35 173.49 3ggw n PRO 40 N -1.37 1.88 -0.93 -1.68 -0.02 -1.26 -1.81 135.00 129.80 3ggw n PRO 40 Ca 0.04 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3ggw n PRO 40 Cb 0.54 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 3ggw n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ggw n GLY 41 N 3.05 0.71 3.49 -1.23 0.00 -1.26 -5.01 105.19 104.93 3ggw n GLY 41 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 3ggw n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ggw s GLN 42 N -0.07 1.74 0.64 1.61 -0.21 -0.75 -5.16 119.66 117.47 3ggw s GLN 42 Ca 0.00 -1.98 -0.07 0.00 0.02 0.00 0.00 55.36 53.33 3ggw s GLN 42 Cb 0.00 -1.00 0.03 0.00 1.00 0.00 0.00 33.01 33.03 3ggw s GLN 42 CO 0.00 -0.19 0.97 -1.54 -2.12 0.00 0.00 175.29 172.41 3ggw s SER 43 N -3.54 5.32 0.68 5.90 1.04 -1.26 -4.64 113.70 117.20 3ggw s SER 43 Ca 0.35 0.69 -0.16 0.00 0.48 0.00 0.00 55.95 57.31 3ggw s SER 43 Cb 0.08 -1.55 0.01 0.00 0.10 0.00 0.00 66.02 64.67 3ggw s SER 43 CO 0.16 -1.27 1.18 -2.84 0.98 0.00 0.00 173.24 171.45 3ggw s PRO 44 N -5.13 2.48 0.01 4.02 0.02 -1.26 -4.38 135.00 130.76 3ggw s PRO 44 Ca 0.56 1.69 0.01 0.00 0.02 0.00 0.00 61.00 63.28 3ggw s PRO 44 Cb -0.11 -1.88 -0.01 0.00 0.02 0.00 0.00 34.50 32.52 3ggw s PRO 44 CO 0.46 -1.56 -0.04 -3.38 -0.33 0.00 0.00 177.00 172.15 3ggw s HIS 45 N -1.98 0.39 0.07 6.54 -3.43 0.72 -4.94 115.29 112.67 3ggw s HIS 45 Ca 0.73 -0.28 -0.31 0.00 -0.80 0.00 0.00 55.06 54.41 3ggw s HIS 45 Cb -0.27 -0.24 -0.06 0.00 -1.43 0.00 0.00 32.58 30.57 3ggw s HIS 45 CO 0.42 -0.06 1.27 -1.17 -2.00 0.00 0.00 174.74 173.20 3ggw s LEU 46 N -0.78 4.37 -0.18 5.38 2.96 -1.26 -1.00 118.68 128.16 3ggw s LEU 46 Ca -0.05 2.12 -0.07 0.00 -0.22 0.00 0.00 54.13 55.91 3ggw s LEU 46 Cb -0.05 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 42.97 3ggw s LEU 46 CO -0.00 -0.55 -0.22 0.18 -1.32 0.00 0.00 176.35 174.44 3ggw n LEU 47 N 4.03 1.60 -4.01 -0.68 4.77 0.63 -4.76 117.00 118.57 3ggw n LEU 47 Ca 0.10 0.16 -0.17 0.00 -0.03 0.00 0.00 56.01 56.07 3ggw n LEU 47 Cb 0.45 -0.54 -0.14 0.00 -2.33 0.00 0.00 43.42 40.86 3ggw n LEU 47 CO 0.57 0.45 -0.42 -0.63 -1.33 0.00 0.00 177.39 176.03 3ggw s ILE 48 N -2.33 0.60 0.16 -0.08 -1.09 -1.02 -1.16 121.20 116.28 3ggw s ILE 48 Ca -0.25 -0.46 0.07 0.00 -2.23 0.00 0.00 60.65 57.78 3ggw s ILE 48 Cb 0.09 -0.53 -0.04 0.00 -1.58 0.00 0.00 42.46 40.39 3ggw s ILE 48 CO 0.33 0.07 -0.16 -0.72 -1.23 0.00 0.00 174.94 173.23 3ggw s TYR 49 N -0.38 1.65 -1.35 3.97 1.13 0.73 -1.40 117.35 121.70 3ggw s TYR 49 Ca 0.01 -0.52 -0.02 0.00 -1.41 0.00 0.00 57.07 55.13 3ggw s TYR 49 Cb -0.04 -0.83 -0.00 0.00 -1.10 0.00 0.00 41.96 39.99 3ggw s TYR 49 CO -0.00 0.26 0.55 0.72 -2.51 0.00 0.00 175.55 174.57 3ggw n HIS 50 N 0.26 -1.76 0.00 -3.49 8.25 -0.97 -1.31 115.22 116.19 3ggw n HIS 50 Ca -0.13 0.76 0.00 0.00 -0.26 0.00 0.00 57.72 58.09 3ggw n HIS 50 Cb 0.58 -3.96 0.00 0.00 1.12 0.00 0.00 29.99 27.73 3ggw n HIS 50 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3ggw n LEU 51 N -4.33 0.00 0.00 2.41 7.94 0.21 -4.06 117.00 119.17 3ggw n LEU 51 Ca -0.29 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.61 3ggw n LEU 51 Cb 0.68 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.63 3ggw n LEU 51 CO 0.72 0.00 0.00 -1.54 -1.11 0.00 0.00 177.39 175.46 3ggw n SER 52 N 2.31 0.00 -4.72 1.96 3.41 -1.19 -4.11 113.62 111.28 3ggw n SER 52 Ca 0.00 -0.98 -0.39 0.00 -0.26 0.00 0.00 58.87 57.24 3ggw n SER 52 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 3ggw n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3ggw s ASN 53 N 0.00 6.85 0.09 4.04 0.01 -0.43 -4.59 114.94 120.91 3ggw s ASN 53 Ca 0.00 1.02 -0.30 0.00 -0.71 0.00 0.00 52.86 52.87 3ggw s ASN 53 Cb 0.00 -2.35 -0.05 0.00 0.41 0.00 0.00 41.25 39.25 3ggw s ASN 53 CO 0.00 -0.06 0.99 -0.76 -1.51 0.00 0.00 177.10 175.76 3ggw s LEU 54 N 0.70 4.47 0.70 0.60 1.02 -1.26 -0.19 118.68 124.72 3ggw s LEU 54 Ca 0.32 1.80 -0.14 0.00 0.02 0.00 0.00 54.13 56.14 3ggw s LEU 54 Cb -0.17 -3.59 0.02 0.00 0.02 0.00 0.00 46.19 42.48 3ggw s LEU 54 CO 0.15 -0.14 1.11 0.00 0.02 0.00 0.00 176.35 177.49 3ggw s ALA 55 N 0.23 2.37 0.24 4.21 0.00 -0.31 -4.89 121.76 123.61 3ggw s ALA 55 Ca 0.49 0.48 -0.31 0.00 0.00 0.00 0.00 51.96 52.62 3ggw s ALA 55 Cb -0.24 -3.31 -0.13 0.00 0.00 0.00 0.00 23.12 19.44 3ggw s ALA 55 CO 0.30 -1.47 1.47 0.45 0.00 0.00 0.00 175.76 176.51 3ggw n SER 56 N -2.78 3.02 0.00 0.00 2.88 -1.26 -1.96 113.62 113.51 3ggw n SER 56 Ca 0.10 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.77 3ggw n SER 56 Cb 0.52 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 3ggw n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ggw n GLY 57 N 2.39 2.50 3.71 0.46 0.00 -1.26 -5.01 105.19 107.98 3ggw n GLY 57 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3ggw n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ggw s VAL 58 N -2.75 3.42 0.56 1.61 1.01 -0.83 -4.98 120.40 118.44 3ggw s VAL 58 Ca 0.00 0.98 -0.21 0.00 0.00 0.00 0.00 61.98 62.74 3ggw s VAL 58 Cb 0.00 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 3ggw s VAL 58 CO 0.00 0.05 1.36 -2.84 0.00 0.00 0.00 175.10 173.68 3ggw s PRO 59 N 1.47 3.04 0.04 2.72 0.02 -1.26 -4.87 135.00 136.16 3ggw s PRO 59 Ca 0.65 2.25 0.03 0.00 0.02 0.00 0.00 61.00 63.94 3ggw s PRO 59 Cb -0.35 -2.21 0.15 0.00 0.02 0.00 0.00 34.50 32.11 3ggw s PRO 59 CO 0.29 -1.27 1.07 -0.40 -0.33 0.00 0.00 177.00 176.37 3ggw n ASP 60 N -1.15 0.07 0.26 2.53 5.68 -1.26 -1.56 116.55 121.12 3ggw n ASP 60 Ca 0.11 0.52 0.12 0.00 -0.50 0.00 0.00 54.79 55.05 3ggw n ASP 60 Cb 0.45 -0.53 0.78 0.00 -1.14 0.00 0.00 41.12 40.68 3ggw n ASP 60 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3ggw h ARG 61 N 0.00 0.00 -5.81 0.11 3.08 -1.95 -3.42 114.38 106.38 3ggw h ARG 61 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 3ggw h ARG 61 Cb 0.02 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.00 3ggw h ARG 61 CO 0.00 0.00 -0.17 -0.06 -1.07 0.00 0.00 179.97 178.67 3ggw s PHE 62 N -4.84 3.59 0.19 3.04 0.40 -0.60 -1.46 117.98 118.30 3ggw s PHE 62 Ca -0.05 0.91 -0.08 0.00 -0.60 0.00 0.00 56.93 57.11 3ggw s PHE 62 Cb 0.16 -2.45 -0.02 0.00 0.51 0.00 0.00 43.02 41.23 3ggw s PHE 62 CO 0.61 0.34 0.30 -1.54 0.70 0.00 0.00 175.22 175.62 3ggw s SER 63 N 0.02 0.04 -0.13 1.36 1.04 -0.50 -4.98 113.70 110.54 3ggw s SER 63 Ca 0.24 -1.01 -0.21 0.00 0.48 0.00 0.00 55.95 55.46 3ggw s SER 63 Cb -0.16 0.46 0.05 0.00 0.10 0.00 0.00 66.02 66.48 3ggw s SER 63 CO 0.11 -0.95 0.52 -0.55 0.98 0.00 0.00 173.24 173.35 3ggw s SER 64 N -3.03 -0.50 0.03 7.02 0.15 -1.26 -0.26 113.70 115.86 3ggw s SER 64 Ca 0.24 0.78 -0.00 0.00 0.70 0.00 0.00 55.95 57.67 3ggw s SER 64 Cb 0.03 0.80 0.00 0.00 -1.71 0.00 0.00 66.02 65.14 3ggw s SER 64 CO 0.05 -0.34 0.05 -0.24 1.20 0.00 0.00 173.24 173.96 3ggw n SER 65 N 2.04 -0.12 0.00 5.45 2.88 -0.79 -4.27 113.62 118.81 3ggw n SER 65 Ca -0.16 -1.18 0.00 0.00 -1.33 0.00 0.00 58.87 56.19 3ggw n SER 65 Cb 0.56 0.24 0.00 0.00 -0.75 0.00 0.00 64.21 64.26 3ggw n SER 65 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ggw n GLY 66 N -0.06 0.39 0.00 0.46 0.00 -1.26 -1.14 105.19 103.58 3ggw n GLY 66 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.82 3ggw n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ggw n SER 67 N 0.00 0.00 0.19 1.61 3.41 -0.25 -4.98 113.62 113.60 3ggw n SER 67 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 3ggw n SER 67 Cb 0.00 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 64.32 3ggw n SER 67 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3ggw h GLY 68 N 0.00 0.00 0.00 5.00 0.00 -1.98 -3.39 103.07 102.70 3ggw h GLY 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ggw h GLY 68 CO 0.00 0.00 -0.32 -1.30 0.00 0.00 0.00 176.54 174.92 3ggw n THR 69 N -2.77 0.00 -4.00 4.70 -2.24 -1.26 -4.28 114.28 104.42 3ggw n THR 69 Ca 0.04 -0.17 -0.23 0.00 -2.27 0.00 0.00 64.05 61.41 3ggw n THR 69 Cb 0.43 0.68 -0.17 0.00 -2.10 0.00 0.00 70.33 69.17 3ggw n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3ggw s ASP 70 N -0.98 1.56 0.07 3.42 1.01 -1.26 -0.77 116.67 119.73 3ggw s ASP 70 Ca 0.00 -0.17 0.03 0.00 0.71 0.00 0.00 52.55 53.12 3ggw s ASP 70 Cb 0.00 -0.58 -0.03 0.00 1.01 0.00 0.00 42.92 43.32 3ggw s ASP 70 CO 0.00 -0.11 -0.10 -0.36 0.21 0.00 0.00 175.17 174.81 3ggw s PHE 71 N 1.46 0.94 -0.04 4.23 0.08 0.78 -1.09 117.98 124.33 3ggw s PHE 71 Ca -0.02 -0.56 -0.02 0.00 0.12 0.00 0.00 56.93 56.45 3ggw s PHE 71 Cb -0.13 -0.53 0.03 0.00 -0.57 0.00 0.00 43.02 41.82 3ggw s PHE 71 CO -0.04 -0.03 0.07 0.99 -0.10 0.00 0.00 175.22 176.12 3ggw s THR 72 N -1.82 -0.12 -0.12 0.64 2.01 -0.29 -1.22 115.64 114.72 3ggw s THR 72 Ca -0.02 0.36 -0.16 0.00 0.31 0.00 0.00 61.69 62.17 3ggw s THR 72 Cb -0.07 -0.16 -0.04 0.00 0.01 0.00 0.00 72.50 72.23 3ggw s THR 72 CO 0.00 0.15 0.40 -0.22 -0.69 0.00 0.00 174.62 174.27 3ggw s LEU 73 N 1.89 4.28 -0.11 4.42 2.96 0.48 -1.88 118.68 130.72 3ggw s LEU 73 Ca 0.01 0.72 0.01 0.00 -0.22 0.00 0.00 54.13 54.65 3ggw s LEU 73 Cb -0.12 -2.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.98 3ggw s LEU 73 CO -0.04 0.06 -0.14 -0.60 -1.32 0.00 0.00 176.35 174.32 3ggw s ARG 74 N 0.42 3.11 -0.36 1.98 3.52 0.64 0.07 118.95 128.34 3ggw s ARG 74 Ca 0.22 -0.70 -0.03 0.00 -0.13 0.00 0.00 55.73 55.09 3ggw s ARG 74 Cb -0.14 -2.54 0.08 0.00 -1.56 0.00 0.00 34.95 30.79 3ggw s ARG 74 CO 0.08 0.33 0.12 0.42 -0.81 0.00 0.00 175.30 175.44 3ggw s ILE 75 N 0.04 3.25 0.16 4.11 1.01 0.36 -1.41 121.20 128.71 3ggw s ILE 75 Ca -0.05 -1.71 -0.02 0.00 0.00 0.00 0.00 60.65 58.87 3ggw s ILE 75 Cb -0.14 -3.06 -0.14 0.00 0.01 0.00 0.00 42.46 39.12 3ggw s ILE 75 CO 0.04 -0.43 1.37 0.77 0.00 0.00 0.00 174.94 176.70 3ggw h SER 76 N 8.05 0.45 -2.85 3.58 4.64 -1.52 0.26 113.55 126.17 3ggw h SER 76 Ca -0.17 -0.33 -0.60 0.00 -0.47 0.00 0.00 61.79 60.22 3ggw h SER 76 Cb 1.06 -0.14 -0.40 0.00 -0.31 0.00 0.00 62.40 62.62 3ggw h SER 76 CO 0.63 1.11 -0.81 -0.13 -0.87 0.00 0.00 176.83 176.75 3ggw s ARG 77 N -3.40 1.27 0.36 4.77 0.52 -1.24 -2.01 118.95 119.22 3ggw s ARG 77 Ca -0.05 -2.22 -0.28 0.00 -0.52 0.00 0.00 55.73 52.65 3ggw s ARG 77 Cb 0.10 -2.06 -0.10 0.00 0.52 0.00 0.00 34.95 33.41 3ggw s ARG 77 CO 0.85 -1.28 1.38 0.08 0.02 0.00 0.00 175.30 176.34 3ggw s VAL 78 N -0.03 2.43 0.30 3.52 1.01 0.06 -4.59 120.40 123.11 3ggw s VAL 78 Ca 0.25 0.43 0.09 0.00 0.00 0.00 0.00 61.98 62.75 3ggw s VAL 78 Cb -0.09 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 3ggw s VAL 78 CO -0.11 0.10 0.06 -1.61 0.00 0.00 0.00 175.10 173.53 3ggw s GLU 79 N -1.98 2.32 0.39 2.72 2.02 -1.26 -0.75 118.70 122.15 3ggw s GLU 79 Ca 0.52 -1.49 0.08 0.00 0.02 0.00 0.00 54.97 54.09 3ggw s GLU 79 Cb -0.42 -2.15 0.79 0.00 0.10 0.00 0.00 34.13 32.45 3ggw s GLU 79 CO 0.56 0.24 1.95 0.00 0.02 0.00 0.00 175.26 178.04 3ggw h ALA 80 N 1.74 1.55 0.00 5.21 0.00 -1.91 -2.13 119.26 123.71 3ggw h ALA 80 Ca -0.44 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3ggw h ALA 80 Cb 1.25 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3ggw h ALA 80 CO 0.62 0.33 0.00 -0.85 0.00 0.00 0.00 179.25 179.35 3ggw n GLU 81 N -4.33 0.05 0.00 0.00 0.28 -1.16 -2.84 120.64 112.64 3ggw n GLU 81 Ca 0.00 0.21 0.14 0.00 -0.16 0.00 0.00 57.16 57.36 3ggw n GLU 81 Cb 0.21 -1.50 0.65 0.00 1.43 0.00 0.00 31.44 32.23 3ggw n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3ggw n ASP 82 N -1.45 0.18 -4.72 -1.84 8.00 -0.80 -4.85 116.55 111.07 3ggw n ASP 82 Ca 0.05 -0.14 -0.42 0.00 0.71 0.00 0.00 54.79 54.99 3ggw n ASP 82 Cb 0.17 -0.23 -0.00 0.00 -0.02 0.00 0.00 41.12 41.04 3ggw n ASP 82 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3ggw n VAL 83 N -1.25 2.14 -3.12 2.53 0.24 -1.13 -4.87 118.33 112.87 3ggw n VAL 83 Ca 0.12 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 3ggw n VAL 83 Cb 0.28 -1.68 0.00 0.00 -1.47 0.00 0.00 33.84 30.98 3ggw n VAL 83 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ggw n GLY 84 N 0.69 -1.59 3.39 7.63 0.00 -1.26 -4.67 105.19 109.39 3ggw n GLY 84 Ca 0.04 -1.27 -0.33 0.00 0.00 0.00 0.00 46.02 44.46 3ggw n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ggw s ILE 85 N -2.77 3.08 -0.20 -0.61 1.01 -0.38 -1.49 121.20 119.84 3ggw s ILE 85 Ca 0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 60.65 59.94 3ggw s ILE 85 Cb 0.00 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 40.17 3ggw s ILE 85 CO 0.00 0.53 -0.02 -0.31 0.00 0.00 0.00 174.94 175.15 3ggw s TYR 86 N 0.16 3.01 -0.07 3.97 1.51 -0.31 -0.67 117.35 124.95 3ggw s TYR 86 Ca -0.07 -0.54 0.02 0.00 -1.01 0.00 0.00 57.07 55.48 3ggw s TYR 86 Cb -0.15 -2.07 -0.02 0.00 -0.11 0.00 0.00 41.96 39.61 3ggw s TYR 86 CO 0.05 -0.28 -0.14 0.71 -1.11 0.00 0.00 175.55 174.79 3ggw s TYR 87 N 1.00 2.75 0.16 2.71 2.02 0.46 -1.17 117.35 125.28 3ggw s TYR 87 Ca 0.01 -0.29 -0.00 0.00 -0.37 0.00 0.00 57.07 56.42 3ggw s TYR 87 Cb -0.14 -1.70 -0.04 0.00 -0.40 0.00 0.00 41.96 39.68 3ggw s TYR 87 CO 0.01 0.08 0.34 0.00 -1.57 0.00 0.00 175.55 174.41 3ggw s ALA 89 N -1.76 -0.54 0.36 0.00 0.00 -0.22 -0.25 121.76 119.35 3ggw s ALA 89 Ca 0.37 -0.12 0.07 0.00 0.00 0.00 0.00 51.96 52.29 3ggw s ALA 89 Cb -0.11 0.30 -0.02 0.00 0.00 0.00 0.00 23.12 23.28 3ggw s ALA 89 CO 0.28 -0.38 0.35 -3.38 0.00 0.00 0.00 175.76 172.62 3ggw s HIS 90 N -2.52 2.88 -0.37 0.00 -3.43 -1.22 -0.59 115.29 110.05 3ggw s HIS 90 Ca -0.05 -0.34 0.12 0.00 -0.80 0.00 0.00 55.06 53.99 3ggw s HIS 90 Cb -0.01 -1.93 0.36 0.00 -1.43 0.00 0.00 32.58 29.57 3ggw s HIS 90 CO -0.03 0.06 0.77 -1.71 -2.00 0.00 0.00 174.74 171.83 3ggw n ASN 91 N -1.47 0.78 -0.00 7.38 4.05 -0.52 -4.67 115.26 120.81 3ggw n ASN 91 Ca 0.00 -3.00 0.01 0.00 0.45 0.00 0.00 54.58 52.04 3ggw n ASN 91 Cb 0.60 -0.51 -0.01 0.00 1.23 0.00 0.00 39.78 41.09 3ggw n ASN 91 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 3ggw n VAL 92 N 0.24 0.00 -3.83 3.44 0.24 -1.26 -4.89 118.33 112.26 3ggw n VAL 92 Ca 0.22 -0.35 -0.03 0.00 -2.04 0.00 0.00 64.34 62.15 3ggw n VAL 92 Cb 0.68 0.85 0.01 0.00 -1.47 0.00 0.00 33.84 33.91 3ggw n VAL 92 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 3ggw s GLU 93 N -1.40 1.24 0.00 7.34 -1.05 -1.26 -5.15 118.70 118.42 3ggw s GLU 93 Ca 0.00 -0.77 0.02 0.00 -0.15 0.00 0.00 54.97 54.07 3ggw s GLU 93 Cb 0.01 0.37 -0.04 0.00 -0.44 0.00 0.00 34.13 34.03 3ggw s GLU 93 CO 0.06 -0.58 0.00 -0.51 0.95 0.00 0.00 175.26 175.18 3ggw s LEU 94 N -3.25 3.51 0.46 1.83 1.43 -1.26 -3.95 118.68 117.45 3ggw s LEU 94 Ca 0.19 -0.01 -0.22 0.00 -1.03 0.00 0.00 54.13 53.05 3ggw s LEU 94 Cb -0.02 -2.02 -0.08 0.00 0.03 0.00 0.00 46.19 44.10 3ggw s LEU 94 CO 0.04 0.28 1.08 -2.16 0.23 0.00 0.00 176.35 175.81 3ggw s PRO 95 N -1.58 3.86 0.24 1.29 0.04 -1.26 -4.97 135.00 132.63 3ggw s PRO 95 Ca 0.20 1.52 -0.30 0.00 0.04 0.00 0.00 61.00 62.46 3ggw s PRO 95 Cb -0.12 -2.29 -0.10 0.00 0.04 0.00 0.00 34.50 32.04 3ggw s PRO 95 CO 0.10 -0.40 1.38 1.03 0.04 0.00 0.00 177.00 179.15 3ggw s ARG 96 N -2.89 4.32 0.08 4.56 0.52 -1.25 -4.77 118.95 119.52 3ggw s ARG 96 Ca 0.64 2.20 0.02 0.00 -0.52 0.00 0.00 55.73 58.08 3ggw s ARG 96 Cb -0.21 -3.14 -0.03 0.00 0.52 0.00 0.00 34.95 32.09 3ggw s ARG 96 CO 0.26 -0.33 -0.08 0.95 0.02 0.00 0.00 175.30 176.12 3ggw s THR 97 N -0.09 0.72 0.14 0.02 -4.23 -1.26 -5.09 115.64 105.83 3ggw s THR 97 Ca 0.57 -1.59 0.07 0.00 -1.18 0.00 0.00 61.69 59.56 3ggw s THR 97 Cb -0.40 -1.27 -0.04 0.00 1.34 0.00 0.00 72.50 72.14 3ggw s THR 97 CO 0.42 -0.64 -0.15 -0.36 -0.54 0.00 0.00 174.62 173.36 3ggw s PHE 98 N -2.61 1.52 0.76 3.99 0.40 -1.26 -3.41 117.98 117.36 3ggw s PHE 98 Ca 0.03 -0.54 -0.10 0.00 -0.60 0.00 0.00 56.93 55.72 3ggw s PHE 98 Cb -0.02 -0.78 0.06 0.00 0.51 0.00 0.00 43.02 42.80 3ggw s PHE 98 CO -0.02 0.20 1.11 0.20 0.70 0.00 0.00 175.22 177.41 3ggw s GLY 99 N -2.58 1.62 0.00 4.36 0.00 0.66 -4.50 107.32 106.87 3ggw s GLY 99 Ca 0.12 -0.67 0.28 0.00 0.00 0.00 0.00 44.72 44.45 3ggw s GLY 99 CO 0.04 -0.23 1.93 0.61 0.00 0.00 0.00 173.10 175.45 3ggw n GLY 100 N -3.14 -1.38 0.00 0.20 0.00 -1.26 -4.71 105.19 94.89 3ggw n GLY 100 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3ggw n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ggw n GLY 101 N 1.30 -0.16 3.26 -0.02 0.00 -1.26 -5.01 105.19 103.30 3ggw n GLY 101 Ca 0.09 -1.32 -0.34 0.00 0.00 0.00 0.00 46.02 44.45 3ggw n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ggw s THR 102 N -1.00 2.78 -0.07 2.61 2.01 -0.32 -4.21 115.64 117.45 3ggw s THR 102 Ca 0.00 -0.72 -0.25 0.00 0.31 0.00 0.00 61.69 61.03 3ggw s THR 102 Cb 0.00 -2.20 -0.03 0.00 0.01 0.00 0.00 72.50 70.28 3ggw s THR 102 CO 0.00 0.50 0.78 -0.75 -0.69 0.00 0.00 174.62 174.46 3ggw s LYS 103 N 1.02 4.44 -0.15 4.92 2.20 0.02 -1.16 119.74 131.02 3ggw s LYS 103 Ca -0.01 1.01 -0.27 0.00 -0.36 0.00 0.00 55.97 56.34 3ggw s LYS 103 Cb -0.15 -3.47 -0.01 0.00 -1.51 0.00 0.00 37.83 32.69 3ggw s LYS 103 CO -0.03 -0.02 0.90 -1.17 -0.36 0.00 0.00 175.35 174.68 3ggw s LEU 104 N 1.05 4.19 -0.19 5.43 2.96 -0.56 -3.46 118.68 128.11 3ggw s LEU 104 Ca 0.41 1.30 -0.04 0.00 -0.22 0.00 0.00 54.13 55.58 3ggw s LEU 104 Cb -0.18 -3.36 -0.02 0.00 0.50 0.00 0.00 46.19 43.13 3ggw s LEU 104 CO 0.19 -0.44 -0.02 -0.70 -1.32 0.00 0.00 176.35 174.06 3ggw s GLU 105 N 2.19 3.55 0.10 1.98 2.12 -1.26 -4.19 118.70 123.19 3ggw s GLU 105 Ca 0.42 -0.56 -0.29 0.00 0.36 0.00 0.00 54.97 54.90 3ggw s GLU 105 Cb -0.17 -3.01 -0.06 0.00 0.26 0.00 0.00 34.13 31.15 3ggw s GLU 105 CO 0.13 0.00 0.93 0.42 -0.54 0.00 0.00 175.26 176.21 3ggw s ILE 106 N 1.00 4.54 -0.19 -3.70 -1.09 -1.26 -1.01 121.20 119.49 3ggw s ILE 106 Ca 0.01 2.00 -0.16 0.00 -2.23 0.00 0.00 60.65 60.27 3ggw s ILE 106 Cb -0.14 -4.29 -0.04 0.00 -1.58 0.00 0.00 42.46 36.41 3ggw s ILE 106 CO 0.01 0.32 0.38 -0.75 -1.23 0.00 0.00 174.94 173.68 3ggw s LYS 107 N -0.01 4.20 0.38 2.79 2.20 0.18 -4.72 119.74 124.77 3ggw s LYS 107 Ca 0.46 0.20 0.06 0.00 -0.36 0.00 0.00 55.97 56.32 3ggw s LYS 107 Cb -0.23 -3.51 -0.02 0.00 -1.51 0.00 0.00 37.83 32.56 3ggw s LYS 107 CO 0.29 0.03 0.22 -0.98 -0.36 0.00 0.00 175.35 174.55 3ggw s ARG 108 N 1.08 1.89 0.17 4.03 1.70 -1.26 -4.03 118.95 122.52 3ggw s ARG 108 Ca 0.19 -2.14 -0.30 0.00 -0.47 0.00 0.00 55.73 53.01 3ggw s ARG 108 Cb -0.14 -0.09 -0.08 0.00 -0.57 0.00 0.00 34.95 34.06 3ggw s ARG 108 CO 0.07 -0.61 1.30 0.00 -1.08 0.00 0.00 175.30 174.98 3ggw s ALA 109 N -3.29 3.51 0.26 7.88 0.00 -1.26 -4.93 121.76 123.93 3ggw s ALA 109 Ca 0.32 1.06 -0.28 0.00 0.00 0.00 0.00 51.96 53.06 3ggw s ALA 109 Cb 0.02 -3.48 -0.15 0.00 0.00 0.00 0.00 23.12 19.51 3ggw s ALA 109 CO 0.22 -0.52 0.85 -0.25 0.00 0.00 0.00 175.76 176.06 3ggw n ASP 110 N 2.96 0.47 -3.74 0.00 8.00 -1.26 -4.78 116.55 118.20 3ggw n ASP 110 Ca 0.07 1.16 -0.13 0.00 0.71 0.00 0.00 54.79 56.60 3ggw n ASP 110 Cb 0.43 -1.18 -0.14 0.00 -0.02 0.00 0.00 41.12 40.21 3ggw n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ggw s ALA 111 N -1.05 -0.34 0.56 2.24 0.00 0.04 -4.90 121.76 118.31 3ggw s ALA 111 Ca 0.60 0.77 -0.16 0.00 0.00 0.00 0.00 51.96 53.17 3ggw s ALA 111 Cb -0.77 -0.51 -0.05 0.00 0.00 0.00 0.00 23.12 21.79 3ggw s ALA 111 CO 0.59 -0.17 1.04 0.00 0.00 0.00 0.00 175.76 177.22 3ggw s ALA 112 N 1.21 2.83 0.52 0.00 0.00 -1.26 -1.51 121.76 123.54 3ggw s ALA 112 Ca -0.09 0.37 -0.20 0.00 0.00 0.00 0.00 51.96 52.05 3ggw s ALA 112 Cb -0.11 -3.21 -0.07 0.00 0.00 0.00 0.00 23.12 19.73 3ggw s ALA 112 CO -0.07 -0.63 1.08 -1.25 0.00 0.00 0.00 175.76 174.90 3ggw s PRO 113 N -3.97 3.57 -0.33 0.00 0.04 -1.26 -4.51 135.00 128.53 3ggw s PRO 113 Ca 0.63 1.47 -0.19 0.00 0.04 0.00 0.00 61.00 62.95 3ggw s PRO 113 Cb -0.15 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 3ggw s PRO 113 CO 0.34 -0.65 0.59 0.99 0.04 0.00 0.00 177.00 178.31 3ggw s THR 114 N -1.90 4.96 -0.20 1.26 2.01 -0.31 -4.85 115.64 116.61 3ggw s THR 114 Ca 0.70 0.63 -0.10 0.00 0.31 0.00 0.00 61.69 63.23 3ggw s THR 114 Cb -0.20 -3.99 -0.05 0.00 0.01 0.00 0.00 72.50 68.27 3ggw s THR 114 CO 0.24 -0.19 0.12 -0.69 -0.69 0.00 0.00 174.62 173.41 3ggw s VAL 115 N 2.55 5.28 -0.02 3.82 1.01 -1.26 -0.96 120.40 130.83 3ggw s VAL 115 Ca 0.23 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.36 3ggw s VAL 115 Cb -0.15 -3.41 0.01 0.00 0.00 0.00 0.00 36.38 32.83 3ggw s VAL 115 CO 0.13 0.44 -0.03 -0.44 0.00 0.00 0.00 175.10 175.19 3ggw s SER 116 N 0.43 0.57 0.04 3.32 0.01 -0.53 -4.95 113.70 112.58 3ggw s SER 116 Ca 0.07 -0.08 0.09 0.00 1.31 0.00 0.00 55.95 57.34 3ggw s SER 116 Cb -0.11 -0.17 -0.03 0.00 0.21 0.00 0.00 66.02 65.92 3ggw s SER 116 CO -0.01 -0.00 -0.26 -0.51 0.41 0.00 0.00 173.24 172.87 3ggw s ILE 117 N 0.36 2.16 -0.05 1.44 2.07 -1.26 -0.29 121.20 125.63 3ggw s ILE 117 Ca -0.04 -1.34 -0.00 0.00 -1.41 0.00 0.00 60.65 57.86 3ggw s ILE 117 Cb -0.07 -1.83 0.03 0.00 0.13 0.00 0.00 42.46 40.72 3ggw s ILE 117 CO -0.00 0.40 -0.00 -0.36 -1.91 0.00 0.00 174.94 173.06 3ggw s PHE 118 N -0.78 0.50 0.83 3.50 0.40 0.53 -5.00 117.98 117.95 3ggw s PHE 118 Ca 0.12 -0.07 -0.12 0.00 -0.60 0.00 0.00 56.93 56.26 3ggw s PHE 118 Cb -0.10 -0.60 0.09 0.00 0.51 0.00 0.00 43.02 42.91 3ggw s PHE 118 CO 0.02 -0.22 1.10 -1.25 0.70 0.00 0.00 175.22 175.57 3ggw s PRO 119 N 1.45 1.84 0.26 0.24 0.04 -1.26 -1.97 135.00 135.60 3ggw s PRO 119 Ca -0.03 0.67 -0.30 0.00 0.04 0.00 0.00 61.00 61.38 3ggw s PRO 119 Cb -0.13 -1.89 -0.13 0.00 0.04 0.00 0.00 34.50 32.39 3ggw s PRO 119 CO -0.03 -1.80 1.31 -2.30 0.04 0.00 0.00 177.00 174.22 3ggw n PRO 120 N -3.56 1.87 -1.63 0.56 -0.02 -1.18 -4.83 135.00 126.22 3ggw n PRO 120 Ca 0.07 0.66 -0.32 0.00 -2.02 0.00 0.00 63.50 61.89 3ggw n PRO 120 Cb 0.56 -2.25 0.06 0.00 -0.02 0.00 0.00 33.50 31.85 3ggw n PRO 120 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3ggw s SER 121 N 0.03 5.04 0.23 2.55 1.04 -1.26 -4.88 113.70 116.45 3ggw s SER 121 Ca 0.65 1.88 -0.08 0.00 0.48 0.00 0.00 55.95 58.88 3ggw s SER 121 Cb -0.66 -2.53 0.23 0.00 0.10 0.00 0.00 66.02 63.15 3ggw s SER 121 CO 0.54 -1.67 1.88 0.77 0.98 0.00 0.00 173.24 175.74 3ggw h SER 122 N -0.34 0.92 -0.44 7.02 4.64 -1.99 -1.57 113.55 121.79 3ggw h SER 122 Ca -0.45 -0.01 0.05 0.00 -0.47 0.00 0.00 61.79 60.90 3ggw h SER 122 Cb 1.23 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 63.06 3ggw h SER 122 CO 0.54 0.65 0.19 -0.33 -0.87 0.00 0.00 176.83 177.00 3ggw h GLU 123 N 1.08 0.37 -0.62 4.77 3.07 -2.00 -0.36 114.58 120.89 3ggw h GLU 123 Ca 0.32 -0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 59.06 3ggw h GLU 123 Cb -0.05 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.76 3ggw h GLU 123 CO -0.09 0.24 0.02 0.37 -1.40 0.00 0.00 179.01 178.14 3ggw h GLN 124 N 0.38 1.09 -0.35 2.33 4.15 -1.80 -2.65 115.11 118.25 3ggw h GLN 124 Ca 0.20 -0.34 0.00 0.00 0.77 0.00 0.00 58.65 59.28 3ggw h GLN 124 Cb 0.16 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 3ggw h GLN 124 CO -0.18 1.05 0.23 -0.07 -1.93 0.00 0.00 178.83 177.94 3ggw h LEU 125 N 1.00 0.41 -2.19 -2.39 3.38 -0.27 0.12 115.31 115.36 3ggw h LEU 125 Ca 0.18 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3ggw h LEU 125 Cb 0.55 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3ggw h LEU 125 CO 0.03 0.30 0.20 0.74 0.09 0.00 0.00 178.44 179.79 3ggw h THR 126 N 0.48 0.00 -0.02 0.22 2.02 -0.72 -2.94 112.91 111.95 3ggw h THR 126 Ca 0.13 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.31 3ggw h THR 126 Cb -0.05 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3ggw h THR 126 CO -0.03 0.00 -0.13 -1.20 0.37 0.00 0.00 175.52 174.53 3ggw n SER 127 N -2.83 2.28 0.00 4.18 7.64 0.41 -5.01 113.62 120.29 3ggw n SER 127 Ca -0.02 -1.64 0.00 0.00 1.01 0.00 0.00 58.87 58.22 3ggw n SER 127 Cb 0.25 0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 3ggw n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ggw n GLY 128 N 1.11 0.74 3.54 0.23 0.00 -1.11 -5.05 105.19 104.64 3ggw n GLY 128 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 3ggw n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ggw s GLY 129 N -1.86 2.17 -0.25 -0.02 0.00 -1.26 -2.05 107.32 104.05 3ggw s GLY 129 Ca 0.00 -2.08 -0.02 0.00 0.00 0.00 0.00 44.72 42.62 3ggw s GLY 129 CO 0.00 -2.02 0.35 0.00 0.00 0.00 0.00 173.10 171.43 3ggw s ALA 130 N -2.65 -0.89 -0.23 3.20 0.00 -0.26 -3.97 121.76 116.96 3ggw s ALA 130 Ca 0.32 0.47 -0.07 0.00 0.00 0.00 0.00 51.96 52.68 3ggw s ALA 130 Cb 0.03 -1.73 -0.03 0.00 0.00 0.00 0.00 23.12 21.39 3ggw s ALA 130 CO 0.16 -1.43 0.06 -1.12 0.00 0.00 0.00 175.76 173.43 3ggw s SER 131 N 2.48 5.24 -0.18 0.00 0.01 -1.26 -0.50 113.70 119.48 3ggw s SER 131 Ca 0.11 -0.14 -0.08 0.00 1.31 0.00 0.00 55.95 57.15 3ggw s SER 131 Cb -0.15 -1.93 -0.04 0.00 0.21 0.00 0.00 66.02 64.11 3ggw s SER 131 CO -0.21 0.02 0.09 -0.69 0.41 0.00 0.00 173.24 172.86 3ggw s VAL 132 N 1.26 5.03 -0.05 3.43 1.01 0.61 -3.08 120.40 128.61 3ggw s VAL 132 Ca 0.05 0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.13 3ggw s VAL 132 Cb -0.15 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 3ggw s VAL 132 CO 0.03 0.47 -0.22 -0.69 0.00 0.00 0.00 175.10 174.69 3ggw s VAL 133 N 0.24 1.81 -0.06 2.92 1.01 -0.83 -0.14 120.40 125.36 3ggw s VAL 133 Ca 0.06 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.10 3ggw s VAL 133 Cb -0.12 -1.54 0.02 0.00 0.00 0.00 0.00 36.38 34.75 3ggw s VAL 133 CO -0.00 0.51 -0.04 0.00 0.00 0.00 0.00 175.10 175.57 3ggw s PHE 135 N 1.39 3.40 -0.46 0.00 0.08 0.60 -0.95 117.98 122.05 3ggw s PHE 135 Ca -0.03 0.30 -0.05 0.00 0.12 0.00 0.00 56.93 57.27 3ggw s PHE 135 Cb -0.13 -2.09 0.12 0.00 -0.57 0.00 0.00 43.02 40.35 3ggw s PHE 135 CO -0.03 0.34 0.28 -0.51 -0.10 0.00 0.00 175.22 175.20 3ggw s LEU 136 N 0.08 5.41 -0.03 -0.37 1.02 0.05 -1.45 118.68 123.38 3ggw s LEU 136 Ca 0.08 -2.10 0.02 0.00 0.02 0.00 0.00 54.13 52.15 3ggw s LEU 136 Cb -0.11 -1.89 -0.03 0.00 0.02 0.00 0.00 46.19 44.17 3ggw s LEU 136 CO -0.00 -0.57 -0.05 0.20 0.02 0.00 0.00 176.35 175.95 3ggw s ASN 137 N 1.95 4.78 -1.12 2.29 0.01 -0.13 -0.27 114.94 122.46 3ggw s ASN 137 Ca 0.09 -0.05 -0.05 0.00 -0.71 0.00 0.00 52.86 52.14 3ggw s ASN 137 Cb -0.23 -1.19 -0.04 0.00 0.41 0.00 0.00 41.25 40.19 3ggw s ASN 137 CO -0.03 0.32 0.92 0.59 -1.51 0.00 0.00 177.10 177.39 3ggw n ASN 138 N 1.81 -4.84 -4.57 -1.22 4.13 0.15 -1.16 115.26 109.57 3ggw n ASN 138 Ca -0.16 -0.71 -0.24 0.00 1.68 0.00 0.00 54.58 55.15 3ggw n ASN 138 Cb 0.53 -5.00 -0.09 0.00 -1.54 0.00 0.00 39.78 33.69 3ggw n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 3ggw s PHE 139 N -3.40 2.54 -0.13 3.10 -0.12 0.10 -4.60 117.98 115.47 3ggw s PHE 139 Ca 0.29 -0.26 -0.08 0.00 -0.05 0.00 0.00 56.93 56.83 3ggw s PHE 139 Cb -0.05 -1.13 0.04 0.00 -0.63 0.00 0.00 43.02 41.26 3ggw s PHE 139 CO 0.75 0.64 0.31 -0.47 -0.05 0.00 0.00 175.22 176.40 3ggw s TYR 140 N -2.30 -0.41 0.98 3.49 6.14 -0.57 -0.20 117.35 124.48 3ggw s TYR 140 Ca 0.30 0.94 -0.17 0.00 0.64 0.00 0.00 57.07 58.78 3ggw s TYR 140 Cb -0.06 0.13 0.23 0.00 0.42 0.00 0.00 41.96 42.68 3ggw s TYR 140 CO 0.17 -0.24 1.21 -0.35 0.64 0.00 0.00 175.55 176.99 3ggw n PRO 141 N 3.74 -1.66 0.20 4.97 -0.04 -1.26 -0.78 135.00 140.18 3ggw n PRO 141 Ca -0.20 -1.88 0.06 0.00 -0.04 0.00 0.00 63.50 61.44 3ggw n PRO 141 Cb 0.55 -1.36 0.43 0.00 -0.04 0.00 0.00 33.50 33.09 3ggw n PRO 141 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3ggw h LYS 142 N 0.00 0.00 -6.51 0.54 3.64 -1.98 -3.44 116.57 108.81 3ggw h LYS 142 Ca -0.40 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.44 3ggw h LYS 142 Cb 1.14 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.98 3ggw h LYS 142 CO 0.28 0.32 0.72 -0.51 -2.27 0.00 0.00 179.45 177.98 3ggw s ASP 143 N -6.54 6.86 -0.06 4.20 1.01 -1.26 -4.99 116.67 115.89 3ggw s ASP 143 Ca -0.02 2.26 -0.30 0.00 0.71 0.00 0.00 52.55 55.20 3ggw s ASP 143 Cb 0.13 -2.58 0.09 0.00 1.01 0.00 0.00 42.92 41.56 3ggw s ASP 143 CO 0.68 -0.64 0.78 -0.51 0.21 0.00 0.00 175.17 175.69 3ggw s ILE 144 N 1.28 0.00 -0.05 0.77 2.07 -1.26 -4.64 121.20 119.36 3ggw s ILE 144 Ca 0.64 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 59.94 3ggw s ILE 144 Cb -0.35 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.23 3ggw s ILE 144 CO 0.30 0.00 -0.24 0.20 -1.91 0.00 0.00 174.94 173.28 3ggw s ASN 145 N -1.41 2.96 0.08 4.50 0.01 -0.73 -5.01 114.94 115.34 3ggw s ASN 145 Ca -0.06 -0.49 0.07 0.00 -0.71 0.00 0.00 52.86 51.67 3ggw s ASN 145 Cb -0.00 -0.72 -0.04 0.00 0.41 0.00 0.00 41.25 40.90 3ggw s ASN 145 CO 0.04 0.25 -0.13 0.54 -1.51 0.00 0.00 177.10 176.29 3ggw s VAL 146 N -0.23 3.19 -0.01 1.60 0.11 -1.26 -0.84 120.40 122.97 3ggw s VAL 146 Ca -0.01 -1.21 0.04 0.00 -2.93 0.00 0.00 61.98 57.87 3ggw s VAL 146 Cb -0.13 -2.44 -0.01 0.00 -1.53 0.00 0.00 36.38 32.27 3ggw s VAL 146 CO 0.03 0.21 -0.12 -0.75 -3.33 0.00 0.00 175.10 171.13 3ggw s LYS 147 N -1.89 0.97 -0.17 1.54 2.20 0.31 -4.98 119.74 117.72 3ggw s LYS 147 Ca 0.19 -0.44 -0.04 0.00 -0.36 0.00 0.00 55.97 55.31 3ggw s LYS 147 Cb -0.11 -0.94 -0.02 0.00 -1.51 0.00 0.00 37.83 35.25 3ggw s LYS 147 CO 0.10 0.26 -0.04 -1.58 -0.36 0.00 0.00 175.35 173.73 3ggw s TRP 148 N -0.31 3.00 -0.08 4.03 0.52 -1.26 -0.75 118.94 124.10 3ggw s TRP 148 Ca 0.04 -0.41 0.03 0.00 0.02 0.00 0.00 56.10 55.79 3ggw s TRP 148 Cb -0.05 -1.98 0.01 0.00 -1.15 0.00 0.00 33.47 30.29 3ggw s TRP 148 CO -0.00 -0.13 -0.17 0.15 0.02 0.00 0.00 176.95 176.81 3ggw s LYS 149 N 0.58 2.25 -0.22 4.98 1.02 -0.61 0.01 119.74 127.74 3ggw s LYS 149 Ca -0.03 -0.62 0.00 0.00 0.02 0.00 0.00 55.97 55.35 3ggw s LYS 149 Cb -0.14 -1.78 0.03 0.00 -0.52 0.00 0.00 37.83 35.42 3ggw s LYS 149 CO 0.03 0.11 -0.13 0.42 -0.92 0.00 0.00 175.35 174.85 3ggw s ILE 150 N 0.48 2.38 -1.61 2.17 1.01 0.40 -0.60 121.20 125.43 3ggw s ILE 150 Ca -0.15 -1.08 -0.16 0.00 0.00 0.00 0.00 60.65 59.25 3ggw s ILE 150 Cb -0.16 -2.15 0.12 0.00 0.01 0.00 0.00 42.46 40.28 3ggw s ILE 150 CO 0.06 0.32 0.87 0.47 0.00 0.00 0.00 174.94 176.66 3ggw n ASP 151 N 4.60 -3.90 0.00 3.58 8.00 0.54 -1.19 116.55 128.18 3ggw n ASP 151 Ca -0.18 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.42 3ggw n ASP 151 Cb 0.48 -3.30 0.00 0.00 -0.02 0.00 0.00 41.12 38.27 3ggw n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ggw n GLY 152 N -1.55 2.24 3.74 0.44 0.00 -1.26 -5.03 105.19 103.78 3ggw n GLY 152 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3ggw n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ggw s SER 153 N -2.45 6.03 0.28 1.61 0.01 -0.34 -5.01 113.70 113.84 3ggw s SER 153 Ca 0.00 0.25 -0.29 0.00 1.31 0.00 0.00 55.95 57.22 3ggw s SER 153 Cb 0.00 -2.00 -0.10 0.00 0.21 0.00 0.00 66.02 64.13 3ggw s SER 153 CO 0.00 0.26 1.37 -0.70 0.41 0.00 0.00 173.24 174.58 3ggw s GLU 154 N -0.12 4.31 -0.16 12.44 2.12 -1.26 -0.45 118.70 135.58 3ggw s GLU 154 Ca 0.09 2.24 0.02 0.00 0.36 0.00 0.00 54.97 57.68 3ggw s GLU 154 Cb -0.12 -3.10 0.01 0.00 0.26 0.00 0.00 34.13 31.18 3ggw s GLU 154 CO 0.01 -0.31 -0.20 0.50 -0.54 0.00 0.00 175.26 174.71 3ggw s ARG 155 N -0.93 3.04 -0.11 4.30 6.06 0.10 -4.89 118.95 126.51 3ggw s ARG 155 Ca 0.55 -0.83 0.10 0.00 -2.50 0.00 0.00 55.73 53.05 3ggw s ARG 155 Cb -0.40 -2.51 -0.14 0.00 0.06 0.00 0.00 34.95 31.95 3ggw s ARG 155 CO 0.47 -0.08 0.04 1.04 -2.50 0.00 0.00 175.30 174.26 3ggw n GLN 156 N 4.28 2.16 -1.73 5.12 1.13 -1.26 -4.23 117.38 122.85 3ggw n GLN 156 Ca -0.20 -0.01 -0.42 0.00 -1.94 0.00 0.00 57.00 54.43 3ggw n GLN 156 Cb 0.51 -1.29 -0.03 0.00 0.11 0.00 0.00 30.24 29.54 3ggw n GLN 156 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 3ggw s ASN 157 N -4.39 6.42 0.00 1.08 3.84 -1.26 -3.01 114.94 117.63 3ggw s ASN 157 Ca -0.06 2.78 0.00 0.00 0.21 0.00 0.00 52.86 55.79 3ggw s ASN 157 Cb 0.03 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 38.16 3ggw s ASN 157 CO 0.46 -0.99 0.00 0.61 -2.79 0.00 0.00 177.10 174.39 3ggw n GLY 158 N 4.17 0.70 3.72 1.21 0.00 -1.26 -4.86 105.19 108.87 3ggw n GLY 158 Ca 0.17 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 3ggw n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ggw s VAL 159 N -2.00 5.23 -0.05 1.61 1.01 -1.16 -0.89 120.40 124.15 3ggw s VAL 159 Ca 0.00 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.12 3ggw s VAL 159 Cb 0.00 -3.36 0.02 0.00 0.00 0.00 0.00 36.38 33.04 3ggw s VAL 159 CO 0.00 0.47 -0.06 -0.76 0.00 0.00 0.00 175.10 174.74 3ggw s LEU 160 N 0.21 1.43 -0.04 3.92 1.43 -0.29 -4.97 118.68 120.35 3ggw s LEU 160 Ca 0.07 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.03 3ggw s LEU 160 Cb -0.11 -0.54 -0.03 0.00 0.03 0.00 0.00 46.19 45.54 3ggw s LEU 160 CO -0.01 -0.03 -0.10 0.20 0.23 0.00 0.00 176.35 176.64 3ggw s ASN 161 N 0.82 4.39 -0.07 2.29 0.01 -1.26 -1.15 114.94 119.96 3ggw s ASN 161 Ca -0.12 -0.13 -0.01 0.00 -0.71 0.00 0.00 52.86 51.89 3ggw s ASN 161 Cb -0.15 -1.01 0.03 0.00 0.41 0.00 0.00 41.25 40.53 3ggw s ASN 161 CO 0.01 0.33 -0.01 -0.55 -1.51 0.00 0.00 177.10 175.38 3ggw s SER 162 N -0.95 1.53 0.01 -1.22 0.15 -0.07 -4.97 113.70 108.19 3ggw s SER 162 Ca 0.13 -0.11 -0.16 0.00 0.70 0.00 0.00 55.95 56.52 3ggw s SER 162 Cb -0.11 -0.47 -0.06 0.00 -1.71 0.00 0.00 66.02 63.67 3ggw s SER 162 CO 0.03 -0.17 0.44 0.26 1.20 0.00 0.00 173.24 175.00 3ggw s TRP 163 N 1.80 3.74 0.78 3.44 0.51 -1.26 -0.77 118.94 127.18 3ggw s TRP 163 Ca 0.03 1.05 -0.12 0.00 -2.12 0.00 0.00 56.10 54.94 3ggw s TRP 163 Cb -0.13 -2.34 0.06 0.00 -0.81 0.00 0.00 33.47 30.26 3ggw s TRP 163 CO -0.05 0.63 1.12 0.95 -0.51 0.00 0.00 176.95 179.09 3ggw s THR 164 N -1.06 2.93 0.79 2.01 -4.23 -0.48 -5.00 115.64 110.59 3ggw s THR 164 Ca 0.25 0.30 -0.11 0.00 -1.18 0.00 0.00 61.69 60.95 3ggw s THR 164 Cb -0.17 -3.18 0.07 0.00 1.34 0.00 0.00 72.50 70.55 3ggw s THR 164 CO 0.15 -0.39 1.09 -1.81 -0.54 0.00 0.00 174.62 173.11 3ggw s ASP 165 N -4.20 4.38 0.23 3.99 1.01 -1.26 -4.66 116.67 116.15 3ggw s ASP 165 Ca 0.60 1.76 -0.32 0.00 0.71 0.00 0.00 52.55 55.30 3ggw s ASP 165 Cb -0.13 -2.46 -0.12 0.00 1.01 0.00 0.00 42.92 41.22 3ggw s ASP 165 CO 0.52 -2.10 1.66 1.67 0.21 0.00 0.00 175.17 177.13 3ggw n GLN 166 N -3.56 2.65 -2.14 8.23 7.27 -1.26 -4.75 117.38 123.82 3ggw n GLN 166 Ca 0.09 0.95 -0.41 0.00 0.07 0.00 0.00 57.00 57.69 3ggw n GLN 166 Cb 0.53 -2.76 -0.03 0.00 2.41 0.00 0.00 30.24 30.40 3ggw n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3ggw s ASP 167 N 0.92 6.80 0.09 1.69 2.15 -0.01 -4.90 116.67 123.40 3ggw s ASP 167 Ca 0.72 2.54 0.24 0.00 0.43 0.00 0.00 52.55 56.48 3ggw s ASP 167 Cb -0.53 -2.62 0.95 0.00 -0.30 0.00 0.00 42.92 40.41 3ggw s ASP 167 CO 0.38 -0.58 1.75 -1.20 -0.17 0.00 0.00 175.17 175.35 3ggw n SER 168 N 2.15 0.30 -0.13 -0.34 7.64 -1.26 -1.50 113.62 120.49 3ggw n SER 168 Ca 0.05 0.55 -0.26 0.00 1.01 0.00 0.00 58.87 60.21 3ggw n SER 168 Cb 0.42 -0.62 -0.09 0.00 -1.01 0.00 0.00 64.21 62.91 3ggw n SER 168 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3ggw n LYS 169 N -1.80 0.55 -0.02 1.43 4.01 -1.26 -2.97 118.16 118.10 3ggw n LYS 169 Ca 0.05 0.24 0.03 0.00 -0.51 0.00 0.00 58.31 58.12 3ggw n LYS 169 Cb 0.30 -1.43 0.03 0.00 -0.51 0.00 0.00 35.03 33.43 3ggw n LYS 169 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 3ggw n ASP 170 N -4.21 1.67 -0.84 4.39 5.75 -1.25 -4.92 116.55 117.15 3ggw n ASP 170 Ca -0.48 -1.40 -0.11 0.00 -0.01 0.00 0.00 54.79 52.79 3ggw n ASP 170 Cb 0.83 -0.03 -0.05 0.00 -1.03 0.00 0.00 41.12 40.84 3ggw n ASP 170 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3ggw n SER 171 N 0.22 -4.90 -4.98 -1.12 7.64 -0.56 -4.97 113.62 104.94 3ggw n SER 171 Ca 0.04 0.27 -0.20 0.00 1.01 0.00 0.00 58.87 59.99 3ggw n SER 171 Cb 0.18 -3.36 0.02 0.00 -1.01 0.00 0.00 64.21 60.04 3ggw n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3ggw s THR 172 N -2.21 3.05 0.33 0.44 -4.23 -1.26 -4.68 115.64 107.08 3ggw s THR 172 Ca 0.00 -0.77 0.08 0.00 -1.18 0.00 0.00 61.69 59.83 3ggw s THR 172 Cb 0.00 -3.10 -0.04 0.00 1.34 0.00 0.00 72.50 70.70 3ggw s THR 172 CO 0.00 -0.06 0.14 -0.31 -0.54 0.00 0.00 174.62 173.86 3ggw s TYR 173 N -2.57 2.74 0.10 3.99 1.51 0.72 -0.83 117.35 123.01 3ggw s TYR 173 Ca 0.54 -0.35 0.01 0.00 -1.01 0.00 0.00 57.07 56.27 3ggw s TYR 173 Cb -0.10 -1.60 -0.04 0.00 -0.11 0.00 0.00 41.96 40.11 3ggw s TYR 173 CO 0.36 0.36 -0.05 -1.12 -1.11 0.00 0.00 175.55 173.99 3ggw s SER 174 N -3.84 1.07 -0.04 2.29 0.01 -1.26 -0.67 113.70 111.26 3ggw s SER 174 Ca 0.37 -1.03 -0.04 0.00 1.31 0.00 0.00 55.95 56.56 3ggw s SER 174 Cb -0.03 0.11 0.01 0.00 0.21 0.00 0.00 66.02 66.32 3ggw s SER 174 CO 0.23 -0.50 0.11 -0.32 0.41 0.00 0.00 173.24 173.17 3ggw s MET 175 N -3.86 0.17 0.04 12.44 1.75 0.63 -1.38 119.30 129.09 3ggw s MET 175 Ca 0.13 0.09 0.05 0.00 -1.25 0.00 0.00 55.69 54.71 3ggw s MET 175 Cb 0.06 0.08 -0.04 0.00 2.84 0.00 0.00 34.83 37.77 3ggw s MET 175 CO -0.04 -0.02 -0.07 -1.54 -0.65 0.00 0.00 175.02 172.70 3ggw s SER 176 N -0.10 4.60 -0.09 1.11 1.04 0.05 -0.77 113.70 119.54 3ggw s SER 176 Ca -0.02 -0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.21 3ggw s SER 176 Cb -0.02 -1.02 0.01 0.00 0.10 0.00 0.00 66.02 65.09 3ggw s SER 176 CO 0.00 0.24 -0.13 -0.55 0.98 0.00 0.00 173.24 173.78 3ggw s SER 177 N -1.74 2.15 -0.12 7.02 0.15 -0.12 -0.90 113.70 120.13 3ggw s SER 177 Ca 0.19 -0.36 0.01 0.00 0.70 0.00 0.00 55.95 56.49 3ggw s SER 177 Cb -0.11 -0.96 0.02 0.00 -1.71 0.00 0.00 66.02 63.26 3ggw s SER 177 CO 0.11 0.01 -0.13 -0.89 1.20 0.00 0.00 173.24 173.54 3ggw s THR 178 N 0.91 1.39 -0.32 6.45 2.01 -0.30 -0.96 115.64 124.81 3ggw s THR 178 Ca -0.09 -0.54 -0.11 0.00 0.31 0.00 0.00 61.69 61.26 3ggw s THR 178 Cb -0.15 -1.32 -0.01 0.00 0.01 0.00 0.00 72.50 71.03 3ggw s THR 178 CO 0.00 0.43 0.19 -0.22 -0.69 0.00 0.00 174.62 174.33 3ggw s LEU 179 N 1.37 4.29 -0.21 4.42 2.96 0.81 -1.14 118.68 131.18 3ggw s LEU 179 Ca 0.01 -0.52 -0.06 0.00 -0.22 0.00 0.00 54.13 53.34 3ggw s LEU 179 Cb -0.13 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 3ggw s LEU 179 CO -0.07 -0.22 0.04 -0.89 -1.32 0.00 0.00 176.35 173.89 3ggw s THR 180 N 1.65 4.27 0.25 3.68 2.01 -0.07 -0.29 115.64 127.14 3ggw s THR 180 Ca 0.05 -0.20 0.08 0.00 0.31 0.00 0.00 61.69 61.93 3ggw s THR 180 Cb -0.17 -2.95 -0.05 0.00 0.01 0.00 0.00 72.50 69.33 3ggw s THR 180 CO 0.08 0.40 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.54 3ggw s LEU 181 N 1.07 2.53 0.53 4.42 1.43 0.34 -4.70 118.68 124.31 3ggw s LEU 181 Ca 0.03 -1.10 -0.17 0.00 -1.03 0.00 0.00 54.13 51.86 3ggw s LEU 181 Cb -0.14 -0.71 -0.07 0.00 0.03 0.00 0.00 46.19 45.30 3ggw s LEU 181 CO 0.02 -0.22 1.02 0.42 0.23 0.00 0.00 176.35 177.82 3ggw s THR 182 N -2.93 4.16 0.19 5.49 -4.23 -1.26 -1.10 115.64 115.95 3ggw s THR 182 Ca 0.27 1.10 -0.18 0.00 -1.18 0.00 0.00 61.69 61.70 3ggw s THR 182 Cb 0.01 -3.55 0.16 0.00 1.34 0.00 0.00 72.50 70.46 3ggw s THR 182 CO 0.10 -0.53 1.61 0.50 -0.54 0.00 0.00 174.62 175.76 3ggw h LYS 183 N 0.92 -0.10 -0.80 3.99 3.64 -1.64 -0.94 116.57 121.64 3ggw h LYS 183 Ca -0.47 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.02 3ggw h LYS 183 Cb 1.20 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.96 3ggw h LYS 183 CO 0.60 -0.07 0.42 -0.44 -2.27 0.00 0.00 179.45 177.69 3ggw h ASP 184 N -0.10 0.56 -0.33 4.20 3.32 -1.93 -0.27 116.42 121.87 3ggw h ASP 184 Ca 0.25 0.07 -0.12 0.00 0.02 0.00 0.00 57.03 57.24 3ggw h ASP 184 Cb 0.49 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 3ggw h ASP 184 CO -0.61 0.30 -0.28 -0.08 -1.72 0.00 0.00 179.24 176.84 3ggw h GLU 185 N 0.68 0.77 -0.57 3.56 4.57 -1.79 -1.53 114.58 120.27 3ggw h GLU 185 Ca 0.40 -0.39 0.05 0.00 -1.18 0.00 0.00 59.36 58.24 3ggw h GLU 185 Cb 0.46 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.00 3ggw h GLU 185 CO -0.29 1.01 0.30 -0.92 -1.18 0.00 0.00 179.01 177.94 3ggw h TYR 186 N 0.54 0.56 0.00 0.92 3.20 -0.68 -2.36 116.97 119.14 3ggw h TYR 186 Ca 0.06 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3ggw h TYR 186 Cb 0.85 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.96 3ggw h TYR 186 CO 0.07 0.27 0.00 0.39 -1.64 0.00 0.00 178.16 177.25 3ggw n GLU 187 N -4.84 0.21 0.00 1.82 1.02 -0.16 -2.52 120.64 116.17 3ggw n GLU 187 Ca 0.06 0.38 0.12 0.00 -0.02 0.00 0.00 57.16 57.70 3ggw n GLU 187 Cb 0.14 -1.86 0.55 0.00 -0.02 0.00 0.00 31.44 30.25 3ggw n GLU 187 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3ggw n ARG 188 N -2.25 0.02 -4.03 3.49 1.74 -0.61 -4.84 116.66 110.19 3ggw n ARG 188 Ca 0.03 0.06 -0.09 0.00 -0.77 0.00 0.00 57.85 57.08 3ggw n ARG 188 Cb 0.27 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.11 3ggw n ARG 188 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3ggw s HIS 189 N -2.97 0.40 -0.05 -1.55 3.76 -1.05 -5.09 115.29 108.74 3ggw s HIS 189 Ca 0.13 -0.70 0.04 0.00 -0.15 0.00 0.00 55.06 54.38 3ggw s HIS 189 Cb 0.17 -0.28 -0.06 0.00 1.11 0.00 0.00 32.58 33.52 3ggw s HIS 189 CO 0.46 -0.23 0.01 0.09 -0.85 0.00 0.00 174.74 174.22 3ggw n ASN 190 N 1.08 3.82 -4.31 1.40 5.03 -1.26 -4.80 115.26 116.21 3ggw n ASN 190 Ca -0.20 -0.00 -0.36 0.00 0.87 0.00 0.00 54.58 54.88 3ggw n ASN 190 Cb 0.57 0.57 -0.13 0.00 -1.02 0.00 0.00 39.78 39.76 3ggw n ASN 190 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3ggw s SER 191 N -3.65 4.84 -0.12 6.41 0.15 -1.26 0.14 113.70 120.21 3ggw s SER 191 Ca -0.03 -0.67 0.01 0.00 0.70 0.00 0.00 55.95 55.96 3ggw s SER 191 Cb 0.01 -1.82 -0.02 0.00 -1.71 0.00 0.00 66.02 62.49 3ggw s SER 191 CO 0.19 -0.14 -0.14 -0.31 1.20 0.00 0.00 173.24 174.03 3ggw s TYR 192 N 1.47 2.78 -0.02 3.44 2.02 -0.42 -0.34 117.35 126.27 3ggw s TYR 192 Ca 0.03 -0.61 0.02 0.00 -0.37 0.00 0.00 57.07 56.13 3ggw s TYR 192 Cb -0.17 -1.80 0.01 0.00 -0.40 0.00 0.00 41.96 39.60 3ggw s TYR 192 CO 0.00 -0.18 -0.06 0.99 -1.57 0.00 0.00 175.55 174.74 3ggw s THR 193 N 0.21 0.51 -0.08 -0.71 2.01 0.23 -1.27 115.64 116.55 3ggw s THR 193 Ca -0.09 -0.22 0.03 0.00 0.31 0.00 0.00 61.69 61.72 3ggw s THR 193 Cb -0.15 -0.47 -0.02 0.00 0.01 0.00 0.00 72.50 71.86 3ggw s THR 193 CO 0.05 0.17 -0.16 0.00 -0.69 0.00 0.00 174.62 173.99 3ggw s GLU 195 N -0.21 2.09 -0.15 0.00 2.02 0.07 -1.20 118.70 121.31 3ggw s GLU 195 Ca -0.00 -0.52 -0.03 0.00 0.02 0.00 0.00 54.97 54.44 3ggw s GLU 195 Cb -0.13 -1.75 -0.02 0.00 0.10 0.00 0.00 34.13 32.32 3ggw s GLU 195 CO 0.03 -0.02 -0.06 0.00 0.02 0.00 0.00 175.26 175.22 3ggw s ALA 196 N 0.87 2.88 -0.20 5.21 0.00 -0.25 -0.53 121.76 129.73 3ggw s ALA 196 Ca -0.10 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.00 3ggw s ALA 196 Cb -0.15 -1.48 0.03 0.00 0.00 0.00 0.00 23.12 21.52 3ggw s ALA 196 CO 0.01 0.16 -0.17 0.99 0.00 0.00 0.00 175.76 176.75 3ggw s THR 197 N 0.46 2.19 0.10 0.00 2.01 -0.02 -0.45 115.64 119.93 3ggw s THR 197 Ca -0.05 -1.06 0.05 0.00 0.31 0.00 0.00 61.69 60.94 3ggw s THR 197 Cb -0.15 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.32 3ggw s THR 197 CO 0.03 0.41 -0.12 -2.28 -0.69 0.00 0.00 174.62 171.97 3ggw s HIS 198 N 1.27 1.19 0.66 4.92 2.46 -1.26 -1.78 115.29 122.74 3ggw s HIS 198 Ca 0.02 -0.58 0.41 0.00 0.47 0.00 0.00 55.06 55.38 3ggw s HIS 198 Cb -0.15 -0.64 2.27 0.00 -0.13 0.00 0.00 32.58 33.93 3ggw s HIS 198 CO -0.11 0.06 2.31 1.57 -2.47 0.00 0.00 174.74 176.10 3ggw h LYS 199 N 3.70 0.00 0.00 2.88 2.10 -1.95 -1.78 116.57 121.51 3ggw h LYS 199 Ca -0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 3ggw h LYS 199 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 3ggw h LYS 199 CO 0.50 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.20 3ggw n THR 200 N -3.18 0.62 -3.55 0.07 -2.24 -1.26 -4.71 114.28 100.02 3ggw n THR 200 Ca -0.03 0.16 -0.15 0.00 -2.27 0.00 0.00 64.05 61.76 3ggw n THR 200 Cb 0.11 -0.92 -0.06 0.00 -2.10 0.00 0.00 70.33 67.36 3ggw n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3ggw s SER 201 N -2.59 -0.57 0.28 3.42 0.15 -0.67 -4.98 113.70 108.75 3ggw s SER 201 Ca 0.13 0.70 0.26 0.00 0.70 0.00 0.00 55.95 57.73 3ggw s SER 201 Cb 0.10 0.57 0.92 0.00 -1.71 0.00 0.00 66.02 65.89 3ggw s SER 201 CO 0.22 -0.48 1.76 0.71 1.20 0.00 0.00 173.24 176.65 3ggw h THR 202 N 2.99 0.00 -3.53 6.45 1.35 -1.84 -3.39 112.91 114.94 3ggw h THR 202 Ca -0.25 -0.40 -0.61 0.00 -0.55 0.00 0.00 66.41 64.60 3ggw h THR 202 Cb 1.15 1.27 -0.12 0.00 -1.73 0.00 0.00 68.15 68.72 3ggw h THR 202 CO 0.32 0.00 0.02 -0.44 -0.25 0.00 0.00 175.52 175.17 3ggw s SER 203 N -4.63 6.50 0.61 5.36 0.01 -1.26 -5.06 113.70 115.24 3ggw s SER 203 Ca 0.06 0.61 -0.18 0.00 1.31 0.00 0.00 55.95 57.75 3ggw s SER 203 Cb 0.10 -2.30 -0.03 0.00 0.21 0.00 0.00 66.02 64.01 3ggw s SER 203 CO 0.50 -0.28 1.22 -2.16 0.41 0.00 0.00 173.24 172.94 3ggw s PRO 204 N 2.16 2.83 -0.21 12.44 0.04 -1.26 -4.83 135.00 146.17 3ggw s PRO 204 Ca 0.23 1.87 -0.17 0.00 0.04 0.00 0.00 61.00 62.97 3ggw s PRO 204 Cb -0.16 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 3ggw s PRO 204 CO 0.09 -1.33 0.47 0.42 0.04 0.00 0.00 177.00 176.69 3ggw s ILE 205 N -1.59 5.14 -0.10 0.56 1.01 0.40 -4.89 121.20 121.73 3ggw s ILE 205 Ca 0.78 0.84 0.01 0.00 0.00 0.00 0.00 60.65 62.28 3ggw s ILE 205 Cb -0.32 -3.79 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 3ggw s ILE 205 CO 0.35 0.19 -0.14 -0.69 0.00 0.00 0.00 174.94 174.65 3ggw s VAL 206 N 1.64 2.96 -0.01 2.92 1.01 -1.26 -1.09 120.40 126.56 3ggw s VAL 206 Ca 0.21 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.52 3ggw s VAL 206 Cb -0.15 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 3ggw s VAL 206 CO 0.09 0.55 -0.12 -0.54 0.00 0.00 0.00 175.10 175.08 3ggw s LYS 207 N 0.03 1.00 0.04 2.72 -0.14 -0.34 -5.02 119.74 118.03 3ggw s LYS 207 Ca -0.05 -0.41 -0.01 0.00 -1.36 0.00 0.00 55.97 54.13 3ggw s LYS 207 Cb -0.14 -0.95 -0.03 0.00 -1.68 0.00 0.00 37.83 35.02 3ggw s LYS 207 CO 0.04 0.23 -0.02 -1.12 -0.76 0.00 0.00 175.35 173.73 3ggw s SER 208 N -0.19 0.41 0.12 2.83 0.01 -1.26 -1.13 113.70 114.49 3ggw s SER 208 Ca 0.03 -0.85 -0.06 0.00 1.31 0.00 0.00 55.95 56.38 3ggw s SER 208 Cb -0.06 0.18 -0.02 0.00 0.21 0.00 0.00 66.02 66.34 3ggw s SER 208 CO -0.00 -0.53 0.16 0.72 0.41 0.00 0.00 173.24 174.00 3ggw s PHE 209 N -3.30 0.47 -0.11 2.43 -0.12 -0.39 -5.01 117.98 111.95 3ggw s PHE 209 Ca 0.01 -0.88 0.01 0.00 -0.05 0.00 0.00 56.93 56.02 3ggw s PHE 209 Cb 0.03 -0.21 -0.02 0.00 -0.63 0.00 0.00 43.02 42.20 3ggw s PHE 209 CO -0.08 -0.58 -0.13 1.21 -0.05 0.00 0.00 175.22 175.59 3ggw s ASN 210 N -2.96 4.05 0.34 1.98 3.84 -1.26 -1.30 114.94 119.63 3ggw s ASN 210 Ca 0.15 -0.28 0.05 0.00 0.21 0.00 0.00 52.86 52.99 3ggw s ASN 210 Cb 0.05 -1.42 0.70 0.00 -0.55 0.00 0.00 41.25 40.04 3ggw s ASN 210 CO -0.04 0.22 1.90 -0.09 -2.79 0.00 0.00 177.10 176.30 3ggw h ARG 211 N 6.33 0.79 -0.20 0.43 2.43 -0.62 -2.65 114.38 120.90 3ggw h ARG 211 Ca -0.31 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 3ggw h ARG 211 Cb 1.20 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 3ggw h ARG 211 CO 0.54 0.52 0.00 0.09 -1.51 0.00 0.00 179.97 179.62 3ggw n ASN 212 N -4.52 1.56 -0.78 -3.80 3.02 -1.26 -5.14 115.26 104.34 3ggw n ASN 212 Ca 0.15 -1.77 0.13 0.00 -0.03 0.00 0.00 54.58 53.05 3ggw n ASN 212 Cb 0.33 -0.13 0.26 0.00 -0.61 0.00 0.00 39.78 39.63 3ggw n ASN 212 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85