#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gaf n PRO 6 N 0.00 2.45 -0.66 -1.46 -0.04 -1.26 -4.30 135.00 129.73 3gaf n PRO 6 Ca 0.00 -1.17 -0.07 0.00 -0.04 0.00 0.00 63.50 62.22 3gaf n PRO 6 Cb 0.00 -1.79 0.16 0.00 -0.04 0.00 0.00 33.50 31.84 3gaf n PRO 6 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3gaf n PHE 7 N 0.23 1.62 -4.31 0.54 3.72 -1.26 -1.76 117.46 116.24 3gaf n PHE 7 Ca 0.10 -0.97 -0.27 0.00 -0.05 0.00 0.00 57.45 56.26 3gaf n PHE 7 Cb 0.60 -0.55 -0.10 0.00 -0.94 0.00 0.00 39.48 38.50 3gaf n PHE 7 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 3gaf s HIS 8 N -2.01 2.58 -0.55 1.38 3.76 -1.26 -4.93 115.29 114.26 3gaf s HIS 8 Ca 0.34 -0.24 0.03 0.00 -0.15 0.00 0.00 55.06 55.03 3gaf s HIS 8 Cb 0.27 -1.28 0.42 0.00 1.11 0.00 0.00 32.58 33.10 3gaf s HIS 8 CO 0.08 0.49 1.50 1.28 -0.85 0.00 0.00 174.74 177.24 3gaf n LEU 9 N 0.22 5.94 -4.68 0.89 4.32 -0.15 -4.46 117.00 119.07 3gaf n LEU 9 Ca -0.12 -4.88 -0.42 0.00 -0.02 0.00 0.00 56.01 50.57 3gaf n LEU 9 Cb 0.55 -0.67 -0.03 0.00 -1.62 0.00 0.00 43.42 41.65 3gaf n LEU 9 CO 0.33 1.97 1.42 0.20 -1.22 0.00 0.00 177.39 180.09 3gaf s ASN 10 N -2.67 6.54 -0.01 -1.43 0.01 -1.25 -1.94 114.94 114.19 3gaf s ASN 10 Ca 0.52 2.54 0.00 0.00 -0.71 0.00 0.00 52.86 55.21 3gaf s ASN 10 Cb 0.43 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.54 3gaf s ASN 10 CO -0.17 -0.95 0.00 0.47 -1.51 0.00 0.00 177.10 174.94 3gaf n ASP 11 N 6.22 -3.18 -4.81 -1.22 9.92 -1.26 -5.01 116.55 117.21 3gaf n ASP 11 Ca 0.17 0.00 -0.35 0.00 -0.53 0.00 0.00 54.79 54.08 3gaf n ASP 11 Cb 0.40 -0.69 -0.06 0.00 -0.64 0.00 0.00 41.12 40.13 3gaf n ASP 11 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3gaf s ALA 12 N -1.95 3.29 -0.20 2.24 0.00 -0.82 -4.95 121.76 119.37 3gaf s ALA 12 Ca 0.00 0.29 -0.02 0.00 0.00 0.00 0.00 51.96 52.23 3gaf s ALA 12 Cb 0.00 -2.97 -0.00 0.00 0.00 0.00 0.00 23.12 20.15 3gaf s ALA 12 CO 0.00 0.25 -0.09 0.08 0.00 0.00 0.00 175.76 176.01 3gaf s VAL 13 N -1.71 3.05 -0.23 0.00 1.01 -1.26 -0.80 120.40 120.47 3gaf s VAL 13 Ca 0.49 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.89 3gaf s VAL 13 Cb -0.15 -2.36 0.04 0.00 0.00 0.00 0.00 36.38 33.91 3gaf s VAL 13 CO 0.20 0.46 -0.14 0.00 0.00 0.00 0.00 175.10 175.62 3gaf s ALA 14 N 1.31 2.44 -0.27 5.51 0.00 0.73 -1.00 121.76 130.49 3gaf s ALA 14 Ca 0.04 -1.53 -0.21 0.00 0.00 0.00 0.00 51.96 50.26 3gaf s ALA 14 Cb -0.14 -1.42 -0.01 0.00 0.00 0.00 0.00 23.12 21.55 3gaf s ALA 14 CO -0.04 -0.85 0.68 0.42 0.00 0.00 0.00 175.76 175.96 3gaf s ILE 15 N 1.19 4.93 -0.19 0.00 1.01 -0.43 -0.29 121.20 127.42 3gaf s ILE 15 Ca -0.03 1.14 0.01 0.00 0.00 0.00 0.00 60.65 61.77 3gaf s ILE 15 Cb -0.17 -4.00 0.02 0.00 0.01 0.00 0.00 42.46 38.32 3gaf s ILE 15 CO -0.08 -0.06 -0.18 -0.69 0.00 0.00 0.00 174.94 173.93 3gaf s VAL 16 N 2.64 2.19 0.30 2.92 1.01 -0.64 -0.50 120.40 128.31 3gaf s VAL 16 Ca 0.28 -0.96 -0.00 0.00 0.00 0.00 0.00 61.98 61.30 3gaf s VAL 16 Cb -0.15 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 3gaf s VAL 16 CO 0.10 0.48 0.50 0.42 0.00 0.00 0.00 175.10 176.60 3gaf s THR 17 N 1.29 5.12 -1.57 3.92 -4.23 -0.89 -1.58 115.64 117.71 3gaf s THR 17 Ca 0.04 -0.39 -0.04 0.00 -1.18 0.00 0.00 61.69 60.12 3gaf s THR 17 Cb -0.14 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 69.89 3gaf s THR 17 CO -0.12 -0.42 0.52 0.61 -0.54 0.00 0.00 174.62 174.68 3gaf n GLY 18 N -1.38 -0.50 1.65 3.99 0.00 -1.03 -3.46 105.19 104.47 3gaf n GLY 18 Ca -0.05 0.10 0.07 0.00 0.00 0.00 0.00 46.02 46.15 3gaf n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gaf n ALA 19 N -3.33 3.70 0.11 4.61 0.00 0.30 -4.33 120.51 121.56 3gaf n ALA 19 Ca -0.13 -2.04 -0.02 0.00 0.00 0.00 0.00 53.44 51.25 3gaf n ALA 19 Cb 0.63 -1.03 0.22 0.00 0.00 0.00 0.00 19.45 19.27 3gaf n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gaf h ALA 20 N 3.43 1.08 -2.73 0.00 0.00 -1.81 -3.20 119.26 116.03 3gaf h ALA 20 Ca 0.01 -0.44 -0.18 0.00 0.00 0.00 0.00 54.91 54.29 3gaf h ALA 20 Cb 1.87 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 19.45 3gaf h ALA 20 CO 0.44 0.62 -0.38 0.00 0.00 0.00 0.00 179.25 179.93 3gaf s ALA 21 N -4.02 0.62 0.00 0.00 0.00 -1.26 -4.81 121.76 112.29 3gaf s ALA 21 Ca -0.04 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.54 3gaf s ALA 21 Cb 0.13 1.25 0.00 0.00 0.00 0.00 0.00 23.12 24.50 3gaf s ALA 21 CO 0.77 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 176.22 3gaf n GLY 22 N -0.36 2.74 0.18 0.00 0.00 -1.26 -2.72 105.19 103.77 3gaf n GLY 22 Ca 0.01 -0.26 -0.06 0.00 0.00 0.00 0.00 46.02 45.71 3gaf n GLY 22 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3gaf h ILE 23 N 0.00 0.58 -0.97 -0.61 2.04 -1.94 -0.59 117.51 116.02 3gaf h ILE 23 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.96 3gaf h ILE 23 Cb 0.00 0.58 -0.07 0.00 -0.74 0.00 0.00 36.82 36.59 3gaf h ILE 23 CO 0.00 0.00 0.62 1.23 0.00 0.00 0.00 178.15 180.00 3gaf h GLY 24 N -0.06 1.50 1.18 5.37 0.00 -1.78 0.15 103.07 109.44 3gaf h GLY 24 Ca 0.16 -0.42 -0.24 0.00 0.00 0.00 0.00 47.33 46.83 3gaf h GLY 24 CO -0.37 0.22 -0.89 -0.09 0.00 0.00 0.00 176.54 175.41 3gaf h ARG 25 N 1.00 0.76 -0.64 4.80 2.43 -1.19 -1.67 114.38 119.87 3gaf h ARG 25 Ca 0.46 -0.70 -0.05 0.00 -0.81 0.00 0.00 59.98 58.88 3gaf h ARG 25 Cb 0.39 0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 3gaf h ARG 25 CO -0.21 1.29 0.21 0.00 -1.51 0.00 0.00 179.97 179.74 3gaf h ALA 26 N 0.48 0.84 0.13 2.80 0.00 -0.40 -2.13 119.26 120.98 3gaf h ALA 26 Ca -0.09 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.63 3gaf h ALA 26 Cb 1.53 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 3gaf h ALA 26 CO 0.18 0.51 -0.15 0.82 0.00 0.00 0.00 179.25 180.60 3gaf h ILE 27 N 0.92 0.65 -0.33 0.00 2.04 -0.68 -1.69 117.51 118.42 3gaf h ILE 27 Ca 0.21 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.14 3gaf h ILE 27 Cb 0.29 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 36.95 3gaf h ILE 27 CO -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 178.15 178.01 3gaf h ALA 28 N 0.51 0.14 -0.09 1.87 0.00 -1.13 -0.39 119.26 120.18 3gaf h ALA 28 Ca 0.01 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3gaf h ALA 28 Cb 0.32 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3gaf h ALA 28 CO -0.06 -0.51 0.01 0.78 0.00 0.00 0.00 179.25 179.47 3gaf h GLY 29 N -0.07 0.16 0.60 0.00 0.00 -1.34 -1.72 103.07 100.69 3gaf h GLY 29 Ca 0.16 -0.10 0.07 0.00 0.00 0.00 0.00 47.33 47.46 3gaf h GLY 29 CO -0.38 0.10 0.36 -0.84 0.00 0.00 0.00 176.54 175.78 3gaf h THR 30 N -0.09 0.92 -0.69 4.70 2.02 -1.26 -1.48 112.91 117.03 3gaf h THR 30 Ca 0.03 -0.22 -0.05 0.00 0.77 0.00 0.00 66.41 66.93 3gaf h THR 30 Cb 0.28 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 3gaf h THR 30 CO 0.00 0.12 0.22 -0.26 0.37 0.00 0.00 175.52 175.97 3gaf h PHE 31 N 0.64 1.10 -0.07 3.16 -1.00 -0.90 -1.49 116.94 118.38 3gaf h PHE 31 Ca 0.32 -0.11 -0.00 0.00 2.81 0.00 0.00 57.97 60.99 3gaf h PHE 31 Cb 0.26 -0.32 -0.00 0.00 3.61 0.00 0.00 35.95 39.49 3gaf h PHE 31 CO -0.09 0.88 0.04 0.00 -1.61 0.00 0.00 178.31 177.53 3gaf h ALA 32 N 1.10 0.09 -0.43 2.45 0.00 -1.05 -0.88 119.26 120.54 3gaf h ALA 32 Ca 0.22 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.21 3gaf h ALA 32 Cb 0.29 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3gaf h ALA 32 CO -0.01 -0.38 0.30 0.87 0.00 0.00 0.00 179.25 180.03 3gaf h LYS 33 N 0.05 0.08 -0.00 0.00 1.57 -1.11 -1.86 116.57 115.30 3gaf h LYS 33 Ca 0.03 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3gaf h LYS 33 Cb 0.05 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3gaf h LYS 33 CO -0.00 0.05 -0.14 0.00 -0.57 0.00 0.00 179.45 178.79 3gaf n ALA 34 N -2.59 2.80 0.00 3.86 0.00 -0.58 -4.90 120.51 119.10 3gaf n ALA 34 Ca 0.07 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3gaf n ALA 34 Cb 0.44 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3gaf n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gaf n GLY 35 N 1.33 1.49 3.77 0.00 0.00 -0.70 -0.98 105.19 110.10 3gaf n GLY 35 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 3gaf n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gaf s ALA 36 N -1.80 3.21 -0.15 4.61 0.00 -0.37 -4.05 121.76 123.21 3gaf s ALA 36 Ca 0.00 1.02 -0.23 0.00 0.00 0.00 0.00 51.96 52.74 3gaf s ALA 36 Cb 0.00 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 3gaf s ALA 36 CO 0.00 -0.54 0.74 -1.12 0.00 0.00 0.00 175.76 174.84 3gaf s SER 37 N -1.02 6.89 -0.17 0.00 0.01 0.02 -4.17 113.70 115.26 3gaf s SER 37 Ca 0.55 1.08 -0.03 0.00 1.31 0.00 0.00 55.95 58.86 3gaf s SER 37 Cb -0.32 -2.41 -0.02 0.00 0.21 0.00 0.00 66.02 63.47 3gaf s SER 37 CO 0.41 -0.29 -0.05 -0.69 0.41 0.00 0.00 173.24 173.03 3gaf s VAL 38 N 1.74 3.64 -0.50 3.43 1.01 0.38 -0.19 120.40 129.91 3gaf s VAL 38 Ca 0.35 -0.43 -0.15 0.00 0.00 0.00 0.00 61.98 61.75 3gaf s VAL 38 Cb -0.17 -2.61 0.11 0.00 0.00 0.00 0.00 36.38 33.71 3gaf s VAL 38 CO 0.13 0.47 0.44 -0.69 0.00 0.00 0.00 175.10 175.45 3gaf s VAL 39 N 0.72 5.04 0.21 2.92 1.01 0.61 -1.32 120.40 129.59 3gaf s VAL 39 Ca -0.02 -1.40 -0.28 0.00 0.00 0.00 0.00 61.98 60.28 3gaf s VAL 39 Cb -0.15 -4.17 -0.09 0.00 0.00 0.00 0.00 36.38 31.98 3gaf s VAL 39 CO 0.02 -0.75 0.87 -0.69 0.00 0.00 0.00 175.10 174.55 3gaf s VAL 40 N 1.57 4.20 0.08 2.92 1.01 0.53 -1.63 120.40 129.09 3gaf s VAL 40 Ca 0.04 1.91 0.02 0.00 0.00 0.00 0.00 61.98 63.95 3gaf s VAL 40 Cb -0.27 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.83 3gaf s VAL 40 CO 0.04 0.50 -0.07 0.42 0.00 0.00 0.00 175.10 175.98 3gaf s THR 41 N -1.18 0.66 0.32 3.92 -4.23 -0.62 -2.05 115.64 112.45 3gaf s THR 41 Ca 0.39 -1.73 -0.19 0.00 -1.18 0.00 0.00 61.69 58.98 3gaf s THR 41 Cb -0.24 -1.43 0.03 0.00 1.34 0.00 0.00 72.50 72.20 3gaf s THR 41 CO 0.29 -0.76 0.75 -0.62 -0.54 0.00 0.00 174.62 173.74 3gaf s ASP 42 N -2.70 -0.16 0.23 3.99 -1.08 -0.93 -0.54 116.67 115.49 3gaf s ASP 42 Ca 0.07 -0.81 0.03 0.00 -0.52 0.00 0.00 52.55 51.32 3gaf s ASP 42 Cb 0.02 0.77 0.25 0.00 -1.46 0.00 0.00 42.92 42.50 3gaf s ASP 42 CO -0.04 -1.47 1.57 0.25 0.52 0.00 0.00 175.17 176.00 3gaf h LEU 43 N 2.00 0.35 -8.45 -1.34 5.85 -1.88 0.35 115.31 112.18 3gaf h LEU 43 Ca -0.24 -0.19 -0.67 0.00 0.84 0.00 0.00 57.88 57.62 3gaf h LEU 43 Cb 1.25 -0.10 -0.25 0.00 0.37 0.00 0.00 40.66 41.93 3gaf h LEU 43 CO 0.30 0.84 -0.61 -0.54 -0.34 0.00 0.00 178.44 178.09 3gaf s LYS 44 N -3.87 3.21 0.29 1.25 3.01 -1.26 -4.68 119.74 117.68 3gaf s LYS 44 Ca -0.05 -0.78 -0.01 0.00 -1.01 0.00 0.00 55.97 54.12 3gaf s LYS 44 Cb 0.12 -3.40 0.43 0.00 -1.01 0.00 0.00 37.83 33.97 3gaf s LYS 44 CO 0.80 -0.41 1.84 0.66 0.51 0.00 0.00 175.35 178.75 3gaf h SER 45 N 8.26 0.74 -0.54 2.83 4.64 -1.86 -0.96 113.55 126.66 3gaf h SER 45 Ca -0.32 -0.13 0.11 0.00 -0.47 0.00 0.00 61.79 60.97 3gaf h SER 45 Cb 1.14 -0.19 -0.10 0.00 -0.31 0.00 0.00 62.40 62.94 3gaf h SER 45 CO 0.60 0.73 -0.08 -0.33 -0.87 0.00 0.00 176.83 176.89 3gaf h GLU 46 N 0.77 0.04 -0.42 4.77 3.07 -1.95 0.46 114.58 121.33 3gaf h GLU 46 Ca 0.17 -0.00 0.01 0.00 -0.50 0.00 0.00 59.36 59.04 3gaf h GLU 46 Cb 0.29 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 3gaf h GLU 46 CO -0.00 0.03 0.26 0.78 -1.40 0.00 0.00 179.01 178.67 3gaf h GLY 47 N 0.04 0.58 1.59 -3.84 0.00 -1.60 0.34 103.07 100.19 3gaf h GLY 47 Ca 0.27 -0.20 -0.08 0.00 0.00 0.00 0.00 47.33 47.32 3gaf h GLY 47 CO -0.51 0.18 -0.19 0.00 0.00 0.00 0.00 176.54 176.02 3gaf h ALA 48 N 1.17 1.17 -0.14 3.60 0.00 -1.08 -3.01 119.26 120.98 3gaf h ALA 48 Ca 0.16 -0.31 -0.22 0.00 0.00 0.00 0.00 54.91 54.55 3gaf h ALA 48 Cb -0.02 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.65 3gaf h ALA 48 CO -0.06 0.53 -0.78 0.93 0.00 0.00 0.00 179.25 179.87 3gaf h GLU 49 N 0.44 0.72 0.46 0.00 5.08 -0.62 -2.82 114.58 117.85 3gaf h GLU 49 Ca 0.07 -0.59 -0.02 0.00 -1.00 0.00 0.00 59.36 57.83 3gaf h GLU 49 Cb 0.58 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 3gaf h GLU 49 CO 0.04 1.20 -0.40 0.00 -1.00 0.00 0.00 179.01 178.85 3gaf h ALA 50 N 0.63 -1.11 -0.73 3.43 0.00 -0.90 -1.29 119.26 119.29 3gaf h ALA 50 Ca -0.05 -0.17 0.16 0.00 0.00 0.00 0.00 54.91 54.85 3gaf h ALA 50 Cb 1.40 0.60 -0.11 0.00 0.00 0.00 0.00 17.79 19.68 3gaf h ALA 50 CO 0.15 -1.12 0.17 0.28 0.00 0.00 0.00 179.25 178.74 3gaf h VAL 51 N -0.85 0.51 -0.24 0.00 2.07 -1.64 -1.57 116.25 114.53 3gaf h VAL 51 Ca -0.06 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.31 3gaf h VAL 51 Cb 0.72 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3gaf h VAL 51 CO -0.01 0.05 -0.14 0.00 0.02 0.00 0.00 177.57 177.49 3gaf h ALA 52 N 1.61 1.32 -0.10 1.67 0.00 -1.39 -1.91 119.26 120.45 3gaf h ALA 52 Ca 0.41 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 3gaf h ALA 52 Cb 0.70 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3gaf h ALA 52 CO -0.51 0.46 -0.39 0.00 0.00 0.00 0.00 179.25 178.80 3gaf h ALA 53 N 1.48 0.18 -0.73 0.00 0.00 -0.40 -1.92 119.26 117.87 3gaf h ALA 53 Ca 0.07 -0.46 0.09 0.00 0.00 0.00 0.00 54.91 54.61 3gaf h ALA 53 Cb 0.47 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 3gaf h ALA 53 CO 0.03 0.29 0.48 0.00 0.00 0.00 0.00 179.25 180.04 3gaf h ALA 54 N 0.48 1.83 -0.07 0.00 0.00 -1.21 0.04 119.26 120.32 3gaf h ALA 54 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3gaf h ALA 54 Cb 1.03 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 3gaf h ALA 54 CO 0.08 0.02 -0.01 0.82 0.00 0.00 0.00 179.25 180.16 3gaf h ILE 55 N 0.64 1.28 -0.58 0.00 2.04 -1.26 -2.46 117.51 117.18 3gaf h ILE 55 Ca 0.33 -0.89 0.01 0.00 1.00 0.00 0.00 64.86 65.31 3gaf h ILE 55 Cb 0.45 1.74 -0.03 0.00 -0.74 0.00 0.00 36.82 38.25 3gaf h ILE 55 CO -0.12 0.25 0.38 0.03 0.00 0.00 0.00 178.15 178.69 3gaf h ARG 56 N -0.19 0.73 -0.50 2.37 3.08 -0.77 -0.90 114.38 118.20 3gaf h ARG 56 Ca 0.02 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 3gaf h ARG 56 Cb 0.40 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 3gaf h ARG 56 CO 0.01 0.48 0.12 1.96 -1.07 0.00 0.00 179.97 181.47 3gaf h GLN 57 N 0.75 0.79 0.00 0.04 4.20 -0.95 -2.09 115.11 117.85 3gaf h GLN 57 Ca 0.22 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3gaf h GLN 57 Cb -0.04 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.64 3gaf h GLN 57 CO -0.05 0.76 0.00 0.00 -0.67 0.00 0.00 178.83 178.87 3gaf n ALA 58 N -2.38 2.12 -1.22 3.87 0.00 -0.93 -4.82 120.51 117.14 3gaf n ALA 58 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3gaf n ALA 58 Cb 0.22 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.43 3gaf n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gaf n GLY 59 N 0.06 1.05 3.89 0.00 0.00 -0.79 -5.09 105.19 104.31 3gaf n GLY 59 Ca 0.11 -0.46 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 3gaf n GLY 59 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gaf s GLY 60 N -2.56 2.47 -0.26 -0.02 0.00 -0.38 -5.00 107.32 101.58 3gaf s GLY 60 Ca 0.00 -1.06 -0.05 0.00 0.00 0.00 0.00 44.72 43.61 3gaf s GLY 60 CO 0.00 -1.99 0.02 0.54 0.00 0.00 0.00 173.10 171.67 3gaf s LYS 61 N -4.25 3.18 -0.14 2.90 1.02 -1.26 -4.08 119.74 117.10 3gaf s LYS 61 Ca 0.29 -0.78 -0.13 0.00 0.02 0.00 0.00 55.97 55.38 3gaf s LYS 61 Cb -0.02 -3.19 0.04 0.00 -0.52 0.00 0.00 37.83 34.14 3gaf s LYS 61 CO 0.18 -0.34 0.37 0.00 -0.92 0.00 0.00 175.35 174.65 3gaf s ALA 62 N 1.47 -0.93 0.18 5.17 0.00 -1.26 -0.47 121.76 125.93 3gaf s ALA 62 Ca 0.03 1.08 0.09 0.00 0.00 0.00 0.00 51.96 53.16 3gaf s ALA 62 Cb -0.16 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 3gaf s ALA 62 CO -0.00 -0.18 -0.11 0.96 0.00 0.00 0.00 175.76 176.43 3gaf s ILE 63 N 0.27 3.12 -0.06 0.00 -4.36 -0.44 -4.81 121.20 114.93 3gaf s ILE 63 Ca -0.01 -1.69 0.06 0.00 -0.26 0.00 0.00 60.65 58.75 3gaf s ILE 63 Cb -0.03 -2.55 -0.01 0.00 1.25 0.00 0.00 42.46 41.12 3gaf s ILE 63 CO -0.00 -0.12 -0.23 -0.83 0.24 0.00 0.00 174.94 174.00 3gaf s GLY 64 N -2.83 1.23 0.04 6.27 0.00 -1.26 -0.35 107.32 110.41 3gaf s GLY 64 Ca 0.25 -0.97 -0.08 0.00 0.00 0.00 0.00 44.72 43.91 3gaf s GLY 64 CO 0.15 -0.56 0.16 1.08 0.00 0.00 0.00 173.10 173.92 3gaf s LEU 65 N -0.08 1.52 0.04 0.66 1.43 -0.87 -4.62 118.68 116.76 3gaf s LEU 65 Ca -0.05 -0.42 -0.26 0.00 -1.03 0.00 0.00 54.13 52.37 3gaf s LEU 65 Cb -0.14 0.83 -0.05 0.00 0.03 0.00 0.00 46.19 46.86 3gaf s LEU 65 CO 0.04 -0.53 0.80 -0.70 0.23 0.00 0.00 176.35 176.18 3gaf s GLU 66 N -2.54 4.52 -0.20 1.70 2.12 -1.26 -2.18 118.70 120.86 3gaf s GLU 66 Ca -0.05 1.13 -0.05 0.00 0.36 0.00 0.00 54.97 56.36 3gaf s GLU 66 Cb -0.01 -3.38 0.10 0.00 0.26 0.00 0.00 34.13 31.10 3gaf s GLU 66 CO -0.04 0.24 0.36 0.00 -0.54 0.00 0.00 175.26 175.28 3gaf s ASN 68 N 2.53 6.54 0.39 0.00 3.84 -1.26 -3.71 114.94 123.26 3gaf s ASN 68 Ca 0.05 0.30 0.28 0.00 0.21 0.00 0.00 52.86 53.70 3gaf s ASN 68 Cb -0.14 -2.41 1.17 0.00 -0.55 0.00 0.00 41.25 39.33 3gaf s ASN 68 CO -0.13 -0.79 1.83 -0.37 -2.79 0.00 0.00 177.10 174.85 3gaf h VAL 69 N 5.81 0.00 -0.00 -5.21 -1.51 -1.97 -1.98 116.25 111.40 3gaf h VAL 69 Ca -0.24 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 3gaf h VAL 69 Cb 1.09 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.42 3gaf h VAL 69 CO 0.93 0.00 -0.15 0.35 -1.23 0.00 0.00 177.57 177.47 3gaf n THR 70 N -2.60 0.00 -3.60 7.19 -2.24 -1.26 -4.67 114.28 107.11 3gaf n THR 70 Ca 0.01 -0.01 -0.39 0.00 -2.27 0.00 0.00 64.05 61.40 3gaf n THR 70 Cb 0.25 -0.23 -0.11 0.00 -2.10 0.00 0.00 70.33 68.14 3gaf n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gaf s ASP 71 N -2.88 5.87 0.41 3.42 -1.08 -0.74 -5.00 116.67 116.67 3gaf s ASP 71 Ca 0.17 -0.22 0.07 0.00 -0.52 0.00 0.00 52.55 52.05 3gaf s ASP 71 Cb 0.19 -2.09 0.84 0.00 -1.46 0.00 0.00 42.92 40.40 3gaf s ASP 71 CO 0.56 -0.12 2.04 -0.08 0.52 0.00 0.00 175.17 178.09 3gaf h GLU 72 N 8.39 0.50 -0.25 4.34 4.57 -1.86 -1.80 114.58 128.46 3gaf h GLU 72 Ca -0.34 -0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 57.66 3gaf h GLU 72 Cb 1.17 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.66 3gaf h GLU 72 CO 0.59 0.37 -0.37 1.96 -1.18 0.00 0.00 179.01 180.37 3gaf h GLN 73 N 0.51 0.68 -0.41 1.92 1.08 -1.94 -1.22 115.11 115.73 3gaf h GLN 73 Ca 0.13 -0.41 0.01 0.00 -1.45 0.00 0.00 58.65 56.94 3gaf h GLN 73 Cb 0.01 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 3gaf h GLN 73 CO -0.02 1.03 0.25 0.45 -0.95 0.00 0.00 178.83 179.58 3gaf h HIS 74 N 0.40 0.47 -0.10 2.96 3.86 -1.75 -1.59 115.15 119.40 3gaf h HIS 74 Ca 0.02 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.26 3gaf h HIS 74 Cb 0.96 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 29.27 3gaf h HIS 74 CO 0.08 0.28 0.03 0.00 0.86 0.00 0.00 177.93 179.18 3gaf h ARG 75 N 0.51 0.07 0.00 2.45 3.08 -1.10 -1.81 114.38 117.58 3gaf h ARG 75 Ca 0.16 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.15 3gaf h ARG 75 Cb -0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3gaf h ARG 75 CO -0.06 0.05 -0.25 0.93 -1.07 0.00 0.00 179.97 179.56 3gaf h GLU 76 N 0.07 0.00 -0.06 0.04 5.08 -1.16 -2.65 114.58 115.90 3gaf h GLU 76 Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3gaf h GLU 76 Cb 0.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 3gaf h GLU 76 CO -0.06 0.25 -0.00 0.00 -1.00 0.00 0.00 179.01 178.20 3gaf h ALA 77 N 1.75 0.08 -0.77 3.43 0.00 -0.87 -2.45 119.26 120.44 3gaf h ALA 77 Ca -0.00 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.79 3gaf h ALA 77 Cb 0.48 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 3gaf h ALA 77 CO 0.03 -0.24 0.46 0.28 0.00 0.00 0.00 179.25 179.78 3gaf h VAL 78 N -0.20 1.02 -0.76 0.00 2.07 -1.14 0.28 116.25 117.52 3gaf h VAL 78 Ca 0.02 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.27 3gaf h VAL 78 Cb 0.34 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 3gaf h VAL 78 CO 0.00 0.15 0.49 0.40 0.02 0.00 0.00 177.57 178.63 3gaf h ILE 79 N 0.85 1.13 -0.06 4.57 1.08 -1.47 -2.61 117.51 121.01 3gaf h ILE 79 Ca 0.34 -0.33 -0.04 0.00 -0.39 0.00 0.00 64.86 64.44 3gaf h ILE 79 Cb 0.16 0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.00 3gaf h ILE 79 CO -0.17 0.17 -0.11 0.50 -0.69 0.00 0.00 178.15 177.86 3gaf h LYS 80 N 0.96 0.18 -0.32 2.37 3.64 -0.76 -2.71 116.57 119.92 3gaf h LYS 80 Ca 0.30 -0.11 0.08 0.00 -1.27 0.00 0.00 60.65 59.65 3gaf h LYS 80 Cb -0.01 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3gaf h LYS 80 CO -0.10 0.69 0.23 0.00 -2.27 0.00 0.00 179.45 178.00 3gaf h ALA 81 N 0.48 2.21 0.07 5.00 0.00 -0.40 0.13 119.26 126.75 3gaf h ALA 81 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3gaf h ALA 81 Cb 0.68 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.48 3gaf h ALA 81 CO 0.02 -0.29 -0.45 0.00 0.00 0.00 0.00 179.25 178.53 3gaf h ALA 82 N 1.84 -0.04 -0.64 0.00 0.00 -1.49 -2.02 119.26 116.90 3gaf h ALA 82 Ca 0.15 -0.60 0.03 0.00 0.00 0.00 0.00 54.91 54.49 3gaf h ALA 82 Cb 0.50 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3gaf h ALA 82 CO -0.01 0.21 0.42 -0.07 0.00 0.00 0.00 179.25 179.80 3gaf h LEU 83 N -0.61 0.66 0.00 0.00 3.38 -1.08 0.13 115.31 117.80 3gaf h LEU 83 Ca -0.08 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3gaf h LEU 83 Cb 1.34 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3gaf h LEU 83 CO 0.09 0.46 -0.00 0.44 0.09 0.00 0.00 178.44 179.51 3gaf h ASP 84 N 0.77 0.00 -0.26 -0.43 3.32 -0.84 -0.11 116.42 118.87 3gaf h ASP 84 Ca 0.25 -0.84 -0.18 0.00 0.02 0.00 0.00 57.03 56.29 3gaf h ASP 84 Cb 0.06 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3gaf h ASP 84 CO -0.07 0.84 -0.52 1.56 -1.72 0.00 0.00 179.24 179.33 3gaf h GLN 85 N -0.83 0.82 0.00 3.56 1.08 -1.29 -3.38 115.11 115.07 3gaf h GLN 85 Ca -0.00 -0.53 0.00 0.00 -1.45 0.00 0.00 58.65 56.67 3gaf h GLN 85 Cb 0.84 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.34 3gaf h GLN 85 CO 0.00 1.16 0.00 1.19 -0.95 0.00 0.00 178.83 180.23 3gaf n PHE 86 N -4.06 0.00 -0.96 2.96 3.72 0.40 -5.04 117.46 114.47 3gaf n PHE 86 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 3gaf n PHE 86 Cb 0.61 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.15 3gaf n PHE 86 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gaf n GLY 87 N 0.87 0.86 3.69 1.37 0.00 -0.05 -4.95 105.19 106.97 3gaf n GLY 87 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 3gaf n GLY 87 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gaf s LYS 88 N -0.04 0.80 -0.03 1.61 -2.85 -1.26 -4.93 119.74 113.03 3gaf s LYS 88 Ca 0.00 -0.44 0.01 0.00 -1.00 0.00 0.00 55.97 54.54 3gaf s LYS 88 Cb 0.00 0.27 0.02 0.00 -2.06 0.00 0.00 37.83 36.07 3gaf s LYS 88 CO 0.00 -0.37 -0.01 0.42 0.10 0.00 0.00 175.35 175.49 3gaf s ILE 89 N -2.86 0.29 0.00 3.79 1.01 -1.26 -4.49 121.20 117.68 3gaf s ILE 89 Ca 0.13 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.79 3gaf s ILE 89 Cb 0.02 -0.36 0.00 0.00 0.01 0.00 0.00 42.46 42.13 3gaf s ILE 89 CO -0.01 0.17 0.00 0.35 0.00 0.00 0.00 174.94 175.45 3gaf n THR 90 N 4.06 0.00 -4.25 2.92 -2.24 -0.70 -3.62 114.28 110.45 3gaf n THR 90 Ca -0.26 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.32 3gaf n THR 90 Cb 0.51 0.31 -0.16 0.00 -2.10 0.00 0.00 70.33 68.88 3gaf n THR 90 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gaf s VAL 91 N -1.63 0.62 -0.11 2.28 1.01 -0.17 -1.37 120.40 121.03 3gaf s VAL 91 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.78 3gaf s VAL 91 Cb 0.00 -0.61 0.02 0.00 0.00 0.00 0.00 36.38 35.79 3gaf s VAL 91 CO 0.00 0.23 -0.10 -0.22 0.00 0.00 0.00 175.10 175.01 3gaf s LEU 92 N 0.66 1.41 -0.34 3.92 2.96 -0.55 -1.31 118.68 125.42 3gaf s LEU 92 Ca -0.09 -0.35 -0.06 0.00 -0.22 0.00 0.00 54.13 53.40 3gaf s LEU 92 Cb -0.13 -0.93 0.04 0.00 0.50 0.00 0.00 46.19 45.68 3gaf s LEU 92 CO 0.01 -0.07 0.11 -0.69 -1.32 0.00 0.00 176.35 174.39 3gaf s VAL 93 N 1.42 3.78 -0.81 1.68 1.01 0.34 -0.34 120.40 127.48 3gaf s VAL 93 Ca 0.01 -1.17 -0.19 0.00 0.00 0.00 0.00 61.98 60.62 3gaf s VAL 93 Cb -0.13 -3.16 0.12 0.00 0.00 0.00 0.00 36.38 33.21 3gaf s VAL 93 CO -0.06 -0.21 1.01 0.20 0.00 0.00 0.00 175.10 176.04 3gaf s ASN 94 N 1.45 6.47 -0.01 3.32 0.01 0.30 -2.08 114.94 124.40 3gaf s ASN 94 Ca -0.01 -1.75 0.12 0.00 -0.71 0.00 0.00 52.86 50.51 3gaf s ASN 94 Cb -0.20 -2.38 -0.17 0.00 0.41 0.00 0.00 41.25 38.92 3gaf s ASN 94 CO 0.03 -1.13 0.34 -3.20 -1.51 0.00 0.00 177.10 171.62 3gaf n ASN 95 N 6.64 1.69 -4.75 -1.22 5.15 -1.25 -0.72 115.26 120.80 3gaf n ASN 95 Ca 0.12 -0.26 -0.41 0.00 -0.60 0.00 0.00 54.58 53.44 3gaf n ASN 95 Cb 0.47 1.37 -0.03 0.00 -0.53 0.00 0.00 39.78 41.06 3gaf n ASN 95 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gaf s ALA 96 N -2.60 3.51 0.00 5.20 0.00 -1.22 -4.77 121.76 121.89 3gaf s ALA 96 Ca -0.02 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.11 3gaf s ALA 96 Cb 0.08 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.73 3gaf s ALA 96 CO 0.49 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.11 3gaf n GLY 97 N 1.65 -1.06 0.00 0.00 0.00 -1.26 -4.85 105.19 99.66 3gaf n GLY 97 Ca 0.03 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.19 3gaf n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gaf n GLY 98 N 0.00 -0.81 0.00 -0.02 0.00 -1.26 -5.01 105.19 98.09 3gaf n GLY 98 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 3gaf n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gaf n GLY 99 N 0.00 -1.37 0.00 -0.02 0.00 -1.26 -4.84 105.19 97.71 3gaf n GLY 99 Ca 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.89 3gaf n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gaf n GLY 100 N -0.02 -1.01 3.74 -0.02 0.00 -1.26 -5.10 105.19 101.52 3gaf n GLY 100 Ca 0.00 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 3gaf n GLY 100 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gaf n PRO 101 N 0.00 2.41 -3.87 1.61 -0.02 -1.26 -4.52 135.00 129.34 3gaf n PRO 101 Ca 0.00 0.84 -0.11 0.00 -2.02 0.00 0.00 63.50 62.21 3gaf n PRO 101 Cb 0.00 -2.51 -0.10 0.00 -0.02 0.00 0.00 33.50 30.87 3gaf n PRO 101 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3gaf s LYS 102 N -2.02 0.41 0.61 -0.52 1.02 0.34 -5.03 119.74 114.56 3gaf s LYS 102 Ca 0.55 -0.31 -0.17 0.00 0.02 0.00 0.00 55.97 56.05 3gaf s LYS 102 Cb -0.52 0.17 -0.02 0.00 -0.52 0.00 0.00 37.83 36.94 3gaf s LYS 102 CO 0.63 -0.09 1.14 -1.25 -0.92 0.00 0.00 175.35 174.86 3gaf s PRO 103 N -1.13 2.96 0.35 -1.68 0.04 -1.26 -4.34 135.00 129.95 3gaf s PRO 103 Ca -0.12 1.57 0.13 0.00 0.04 0.00 0.00 61.00 62.61 3gaf s PRO 103 Cb -0.07 -1.96 0.94 0.00 0.04 0.00 0.00 34.50 33.46 3gaf s PRO 103 CO 0.01 -1.15 1.77 0.35 0.04 0.00 0.00 177.00 178.02 3gaf h PHE 104 N 0.55 0.86 -0.12 0.56 3.57 -2.01 -2.01 116.94 118.34 3gaf h PHE 104 Ca -0.49 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.04 3gaf h PHE 104 Cb 1.26 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.75 3gaf h PHE 104 CO 0.52 0.12 0.00 -0.40 -2.23 0.00 0.00 178.31 176.31 3gaf n ASP 105 N -4.72 1.74 -4.61 0.41 5.75 -1.26 -4.96 116.55 108.90 3gaf n ASP 105 Ca 0.25 -2.15 -0.34 0.00 -0.01 0.00 0.00 54.79 52.53 3gaf n ASP 105 Cb 0.74 -0.47 0.11 0.00 -1.03 0.00 0.00 41.12 40.48 3gaf n ASP 105 CO 0.00 0.00 0.00 1.15 -0.11 0.00 0.00 177.20 178.24 3gaf n MET 106 N 0.09 0.16 -2.02 0.11 0.00 -0.76 -4.95 117.12 109.75 3gaf n MET 106 Ca 0.05 0.12 -0.38 0.00 0.00 0.00 0.00 57.70 57.50 3gaf n MET 106 Cb 0.39 -2.24 0.01 0.00 0.00 0.00 0.00 33.22 31.38 3gaf n MET 106 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 3gaf s PRO 107 N -3.76 3.48 0.63 3.17 0.02 -1.26 -4.91 135.00 132.37 3gaf s PRO 107 Ca 0.70 2.01 0.31 0.00 0.02 0.00 0.00 61.00 64.04 3gaf s PRO 107 Cb -0.30 -2.36 1.71 0.00 0.02 0.00 0.00 34.50 33.58 3gaf s PRO 107 CO 0.54 -0.85 2.03 0.52 -0.33 0.00 0.00 177.00 178.91 3gaf h MET 108 N 1.80 0.00 0.00 5.54 2.86 -2.00 -0.61 114.93 122.53 3gaf h MET 108 Ca -0.50 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 56.98 3gaf h MET 108 Cb 1.27 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.91 3gaf h MET 108 CO 0.59 0.00 -0.76 0.66 1.06 0.00 0.00 176.91 178.46 3gaf h SER 109 N 0.00 0.00 -0.63 1.22 4.64 -1.99 -1.49 113.55 115.30 3gaf h SER 109 Ca 0.07 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.34 3gaf h SER 109 Cb 0.62 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.69 3gaf h SER 109 CO -0.00 0.76 0.22 0.44 -0.87 0.00 0.00 176.83 177.38 3gaf h ASP 110 N 0.00 0.90 -0.21 4.97 5.19 -1.48 -2.34 116.42 123.45 3gaf h ASP 110 Ca -0.01 -0.19 -0.12 0.00 -0.62 0.00 0.00 57.03 56.09 3gaf h ASP 110 Cb 1.43 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 40.71 3gaf h ASP 110 CO 0.10 0.85 -0.34 0.15 -3.12 0.00 0.00 179.24 176.88 3gaf h PHE 111 N 0.90 0.74 0.00 4.55 3.57 -1.37 -3.13 116.94 122.20 3gaf h PHE 111 Ca 0.21 -0.26 -0.10 0.00 3.53 0.00 0.00 57.97 61.36 3gaf h PHE 111 Cb 0.25 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 3gaf h PHE 111 CO 0.02 0.99 -0.46 0.93 -2.23 0.00 0.00 178.31 177.56 3gaf h GLU 112 N 0.28 0.00 -0.67 1.11 5.08 -1.34 -3.12 114.58 115.92 3gaf h GLU 112 Ca 0.02 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 3gaf h GLU 112 Cb 0.93 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 3gaf h GLU 112 CO 0.08 0.46 0.22 2.35 -1.00 0.00 0.00 179.01 181.12 3gaf h TRP 113 N 0.00 1.05 -0.36 4.33 2.91 -1.40 -1.06 115.95 121.42 3gaf h TRP 113 Ca -0.00 -0.09 -0.02 0.00 1.13 0.00 0.00 58.89 59.90 3gaf h TRP 113 Cb 1.10 -0.31 -0.02 0.00 -0.51 0.00 0.00 29.16 29.42 3gaf h TRP 113 CO 0.00 0.83 0.12 0.00 -1.03 0.00 0.00 178.44 178.36 3gaf h ALA 114 N 1.25 1.55 -0.12 2.65 0.00 -1.48 0.17 119.26 123.27 3gaf h ALA 114 Ca 0.22 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 3gaf h ALA 114 Cb 0.26 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.91 3gaf h ALA 114 CO -0.01 0.35 -0.59 0.74 0.00 0.00 0.00 179.25 179.74 3gaf h PHE 115 N 0.51 0.82 -0.46 0.00 0.04 -1.57 0.36 116.94 116.63 3gaf h PHE 115 Ca 0.12 -0.36 -0.01 0.00 2.80 0.00 0.00 57.97 60.53 3gaf h PHE 115 Cb 0.14 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 3gaf h PHE 115 CO 0.01 1.16 0.27 0.87 -0.60 0.00 0.00 178.31 180.01 3gaf h LYS 116 N 0.24 0.64 0.01 1.51 1.79 -0.65 0.32 116.57 120.43 3gaf h LYS 116 Ca -0.04 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.36 3gaf h LYS 116 Cb 1.23 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 3gaf h LYS 116 CO 0.12 0.49 -0.01 1.25 -1.08 0.00 0.00 179.45 180.22 3gaf h LEU 117 N 0.61 -0.01 0.00 2.94 6.46 -0.74 -3.00 115.31 121.57 3gaf h LEU 117 Ca 0.17 -0.73 -0.02 0.00 -0.12 0.00 0.00 57.88 57.17 3gaf h LEU 117 Cb 0.02 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.95 3gaf h LEU 117 CO -0.03 0.74 -0.77 0.78 -0.62 0.00 0.00 178.44 178.55 3gaf h ASN 118 N -0.78 0.00 0.00 1.25 2.35 -0.97 -3.42 115.58 114.00 3gaf h ASN 118 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3gaf h ASN 118 Cb 0.74 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.11 3gaf h ASN 118 CO 0.00 0.09 -0.26 -0.11 -1.65 0.00 0.00 177.43 175.50 3gaf n LEU 119 N -2.83 0.44 0.10 1.61 -0.00 -0.08 -4.56 117.00 111.67 3gaf n LEU 119 Ca 0.00 0.16 0.05 0.00 -0.00 0.00 0.00 56.01 56.22 3gaf n LEU 119 Cb 0.58 -0.06 0.48 0.00 -0.00 0.00 0.00 43.42 44.42 3gaf n LEU 119 CO 0.39 -0.54 1.07 -0.26 -0.00 0.00 0.00 177.39 178.05 3gaf h PHE 120 N 0.00 0.31 0.10 1.96 0.04 -0.56 -1.71 116.94 117.08 3gaf h PHE 120 Ca 0.00 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 3gaf h PHE 120 Cb 0.26 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.31 3gaf h PHE 120 CO 0.00 0.24 -0.05 0.66 -0.60 0.00 0.00 178.31 178.56 3gaf h SER 121 N 0.32 -0.11 0.51 2.17 4.64 -1.74 -1.44 113.55 117.89 3gaf h SER 121 Ca 0.08 -0.37 -0.09 0.00 -0.47 0.00 0.00 61.79 60.94 3gaf h SER 121 Cb 0.06 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 3gaf h SER 121 CO -0.01 0.34 -0.41 0.17 -0.87 0.00 0.00 176.83 176.05 3gaf h LEU 122 N -0.59 0.00 -0.39 5.97 8.10 -1.76 -0.24 115.31 126.40 3gaf h LEU 122 Ca -0.01 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 57.89 3gaf h LEU 122 Cb 0.48 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.69 3gaf h LEU 122 CO 0.02 0.41 -0.08 0.15 -4.11 0.00 0.00 178.44 174.83 3gaf h PHE 123 N 0.00 0.83 -0.07 0.17 3.57 -1.32 -1.48 116.94 118.64 3gaf h PHE 123 Ca -0.00 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.31 3gaf h PHE 123 Cb 0.78 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.31 3gaf h PHE 123 CO 0.00 0.87 0.01 -0.09 -2.23 0.00 0.00 178.31 176.87 3gaf h ARG 124 N 0.55 0.13 -0.98 1.11 9.65 -0.94 -1.75 114.38 122.15 3gaf h ARG 124 Ca 0.10 -0.04 0.12 0.00 -1.10 0.00 0.00 59.98 59.06 3gaf h ARG 124 Cb 0.60 -0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 29.08 3gaf h ARG 124 CO 0.04 0.37 0.61 1.25 2.80 0.00 0.00 179.97 185.03 3gaf h LEU 125 N -0.14 0.89 -0.74 3.80 5.85 -1.09 -0.81 115.31 123.07 3gaf h LEU 125 Ca 0.02 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 3gaf h LEU 125 Cb 0.31 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3gaf h LEU 125 CO 0.00 0.47 0.26 0.28 -0.34 0.00 0.00 178.44 179.12 3gaf h SER 126 N 0.96 1.05 -0.68 1.25 0.02 -1.17 -2.30 113.55 112.68 3gaf h SER 126 Ca 0.48 -0.19 0.03 0.00 -0.84 0.00 0.00 61.79 61.28 3gaf h SER 126 Cb 0.48 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 3gaf h SER 126 CO -0.27 0.96 0.42 1.56 -1.14 0.00 0.00 176.83 178.37 3gaf h GLN 127 N 1.09 0.79 -0.48 3.45 4.20 -0.27 -1.84 115.11 122.05 3gaf h GLN 127 Ca 0.24 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.88 3gaf h GLN 127 Cb 0.26 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 3gaf h GLN 127 CO -0.01 0.52 0.20 -0.07 -0.67 0.00 0.00 178.83 178.80 3gaf h LEU 128 N 0.81 0.65 0.04 1.46 4.07 -1.06 -3.28 115.31 118.01 3gaf h LEU 128 Ca 0.28 -0.16 -0.24 0.00 0.08 0.00 0.00 57.88 57.84 3gaf h LEU 128 Cb 0.05 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.60 3gaf h LEU 128 CO -0.12 0.63 -1.18 0.00 -1.08 0.00 0.00 178.44 176.69 3gaf h ALA 129 N 1.05 0.33 -0.66 1.53 0.00 -1.30 -3.39 119.26 116.81 3gaf h ALA 129 Ca 0.16 -0.98 0.13 0.00 0.00 0.00 0.00 54.91 54.22 3gaf h ALA 129 Cb 0.17 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.83 3gaf h ALA 129 CO -0.02 1.21 -0.15 0.00 0.00 0.00 0.00 179.25 180.30 3gaf h ALA 130 N 0.85 0.46 -0.41 0.00 0.00 -1.39 -0.06 119.26 118.71 3gaf h ALA 130 Ca -0.09 0.25 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3gaf h ALA 130 Cb 1.87 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 20.13 3gaf h ALA 130 CO 0.14 -0.42 -0.04 -1.35 0.00 0.00 0.00 179.25 177.59 3gaf h PRO 131 N 0.01 0.68 -0.56 0.00 0.11 -1.76 0.21 132.00 130.69 3gaf h PRO 131 Ca 0.32 -0.18 -0.09 0.00 0.11 0.00 0.00 66.00 66.16 3gaf h PRO 131 Cb 0.49 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 3gaf h PRO 131 CO -0.67 0.72 -0.02 0.45 -0.21 0.00 0.00 178.00 178.27 3gaf h HIS 132 N 0.63 1.07 -0.50 0.65 3.86 -1.53 -1.99 115.15 117.33 3gaf h HIS 132 Ca 0.12 -0.18 -0.12 0.00 -1.16 0.00 0.00 60.37 59.04 3gaf h HIS 132 Cb 0.45 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 3gaf h HIS 132 CO 0.02 0.96 -0.15 0.52 0.86 0.00 0.00 177.93 180.14 3gaf h MET 133 N 0.90 0.98 -0.20 2.45 2.86 -0.65 -1.35 114.93 119.91 3gaf h MET 133 Ca 0.16 -0.39 0.04 0.00 -2.06 0.00 0.00 59.70 57.45 3gaf h MET 133 Cb 0.55 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.12 3gaf h MET 133 CO 0.03 1.06 -0.05 0.37 1.06 0.00 0.00 176.91 179.38 3gaf h GLN 134 N 0.84 -0.00 0.00 1.72 4.15 -0.82 -1.02 115.11 119.98 3gaf h GLN 134 Ca 0.12 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.51 3gaf h GLN 134 Cb 0.72 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.41 3gaf h GLN 134 CO 0.06 -0.00 -0.15 0.87 -1.93 0.00 0.00 178.83 177.68 3gaf h LYS 135 N -0.00 0.00 -0.03 1.69 1.57 -1.24 -2.21 116.57 116.35 3gaf h LYS 135 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3gaf h LYS 135 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3gaf h LYS 135 CO -0.21 0.15 0.00 0.00 -0.57 0.00 0.00 179.45 178.82 3gaf n ALA 136 N -2.34 2.61 -0.77 3.86 0.00 -0.52 -4.91 120.51 118.44 3gaf n ALA 136 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3gaf n ALA 136 Cb 0.25 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3gaf n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gaf n GLY 137 N 0.95 0.59 0.00 0.00 0.00 -0.83 -4.96 105.19 100.93 3gaf n GLY 137 Ca 0.18 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3gaf n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gaf n GLY 138 N -2.55 2.47 3.90 -0.02 0.00 -0.45 -4.96 105.19 103.57 3gaf n GLY 138 Ca 0.00 -2.13 -0.01 0.00 0.00 0.00 0.00 46.02 43.88 3gaf n GLY 138 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gaf s GLY 139 N 0.00 0.00 -0.02 -0.02 0.00 -0.81 -4.72 107.32 101.75 3gaf s GLY 139 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.56 3gaf s GLY 139 CO 0.00 3.23 0.03 0.00 0.00 0.00 0.00 173.10 176.35 3gaf s ALA 140 N -2.17 0.11 -0.11 3.20 0.00 -0.47 -1.80 121.76 120.51 3gaf s ALA 140 Ca 0.23 0.28 -0.01 0.00 0.00 0.00 0.00 51.96 52.47 3gaf s ALA 140 Cb -0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 3gaf s ALA 140 CO 0.03 -0.10 -0.06 0.42 0.00 0.00 0.00 175.76 176.05 3gaf s ILE 141 N 1.04 3.73 -0.08 0.00 1.01 0.21 -1.49 121.20 125.61 3gaf s ILE 141 Ca -0.09 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.14 3gaf s ILE 141 Cb -0.13 -2.57 0.01 0.00 0.01 0.00 0.00 42.46 39.78 3gaf s ILE 141 CO -0.03 0.55 -0.16 -0.22 0.00 0.00 0.00 174.94 175.09 3gaf s LEU 142 N -0.22 1.76 -0.16 2.97 2.96 0.54 -1.70 118.68 124.82 3gaf s LEU 142 Ca 0.03 -0.39 -0.05 0.00 -0.22 0.00 0.00 54.13 53.50 3gaf s LEU 142 Cb -0.13 -1.02 -0.03 0.00 0.50 0.00 0.00 46.19 45.51 3gaf s LEU 142 CO 0.03 0.06 0.01 0.20 -1.32 0.00 0.00 176.35 175.32 3gaf s ASN 143 N 0.67 5.19 -0.38 3.68 0.01 0.21 -0.53 114.94 123.78 3gaf s ASN 143 Ca -0.14 -0.02 -0.21 0.00 -0.71 0.00 0.00 52.86 51.78 3gaf s ASN 143 Cb -0.16 -1.86 0.01 0.00 0.41 0.00 0.00 41.25 39.65 3gaf s ASN 143 CO 0.04 0.18 0.67 -0.63 -1.51 0.00 0.00 177.10 175.85 3gaf s ILE 144 N 0.32 4.84 0.00 0.60 -1.09 0.10 -1.29 121.20 124.67 3gaf s ILE 144 Ca -0.00 0.55 0.00 0.00 -2.23 0.00 0.00 60.65 58.97 3gaf s ILE 144 Cb -0.13 -4.14 0.00 0.00 -1.58 0.00 0.00 42.46 36.61 3gaf s ILE 144 CO 0.02 -0.41 0.00 -0.24 -1.23 0.00 0.00 174.94 173.08 3gaf n SER 145 N 6.19 0.27 -4.00 3.58 2.88 0.25 -4.82 113.62 117.98 3gaf n SER 145 Ca -0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.43 3gaf n SER 145 Cb 0.48 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.83 3gaf n SER 145 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3gaf s SER 146 N -0.48 0.41 0.57 -3.46 0.15 -1.26 -4.37 113.70 105.26 3gaf s SER 146 Ca 0.00 -0.48 0.38 0.00 0.70 0.00 0.00 55.95 56.55 3gaf s SER 146 Cb 0.00 0.07 1.90 0.00 -1.71 0.00 0.00 66.02 66.28 3gaf s SER 146 CO 0.00 -0.25 2.15 0.24 1.20 0.00 0.00 173.24 176.58 3gaf h MET 147 N 4.73 0.00 0.00 5.44 2.86 -1.85 -1.57 114.93 124.54 3gaf h MET 147 Ca -0.33 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 3gaf h MET 147 Cb 1.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.87 3gaf h MET 147 CO 0.42 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.39 3gaf h ALA 148 N 2.02 1.00 0.00 6.32 0.00 -1.93 -0.35 119.26 126.32 3gaf h ALA 148 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gaf h ALA 148 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3gaf h ALA 148 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3gaf n GLY 149 N -0.94 -1.15 0.00 0.00 0.00 -0.59 -3.75 105.19 98.75 3gaf n GLY 149 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3gaf n GLY 149 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gaf n GLU 150 N -1.45 2.45 -2.42 1.61 1.02 -0.64 -4.11 120.64 117.09 3gaf n GLU 150 Ca 0.06 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.94 3gaf n GLU 150 Cb 0.22 -0.82 0.04 0.00 -0.02 0.00 0.00 31.44 30.86 3gaf n GLU 150 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3gaf s ASN 151 N -2.02 5.44 -0.03 1.62 0.01 -0.23 -5.10 114.94 114.62 3gaf s ASN 151 Ca 0.00 0.58 0.02 0.00 -0.71 0.00 0.00 52.86 52.75 3gaf s ASN 151 Cb 0.00 -1.52 0.01 0.00 0.41 0.00 0.00 41.25 40.15 3gaf s ASN 151 CO 0.00 -1.14 -0.08 0.42 -1.51 0.00 0.00 177.10 174.79 3gaf s THR 152 N -2.99 0.74 0.17 1.60 -4.23 -1.26 -4.78 115.64 104.89 3gaf s THR 152 Ca 0.55 -0.31 -0.16 0.00 -1.18 0.00 0.00 61.69 60.59 3gaf s THR 152 Cb -0.11 -0.68 0.02 0.00 1.34 0.00 0.00 72.50 73.07 3gaf s THR 152 CO 0.44 0.25 0.45 0.20 -0.54 0.00 0.00 174.62 175.42 3gaf s ASN 153 N 0.40 -0.20 0.55 3.99 -0.87 -1.26 -5.14 114.94 112.41 3gaf s ASN 153 Ca -0.06 -0.50 -0.21 0.00 -1.57 0.00 0.00 52.86 50.51 3gaf s ASN 153 Cb -0.11 0.53 -0.04 0.00 -0.02 0.00 0.00 41.25 41.61 3gaf s ASN 153 CO 0.01 -0.97 1.32 0.68 -2.57 0.00 0.00 177.10 175.56 3gaf s VAL 154 N -3.87 2.22 -0.85 1.60 -7.23 -1.26 -3.77 120.40 107.23 3gaf s VAL 154 Ca 0.09 0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.42 3gaf s VAL 154 Cb 0.00 -3.08 0.00 0.00 0.56 0.00 0.00 36.38 33.87 3gaf s VAL 154 CO -0.05 -0.01 0.00 0.54 -0.31 0.00 0.00 175.10 175.27 3gaf n ARG 155 N -1.13 -0.72 -0.33 4.82 5.12 -1.26 -4.90 116.66 118.26 3gaf n ARG 155 Ca 0.11 0.74 0.09 0.00 -1.93 0.00 0.00 57.85 56.85 3gaf n ARG 155 Cb 0.46 -4.61 0.22 0.00 -1.16 0.00 0.00 32.46 27.37 3gaf n ARG 155 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 3gaf n MET 156 N -2.44 2.34 -0.13 5.56 2.81 -1.25 -0.51 117.12 123.51 3gaf n MET 156 Ca -0.08 -2.77 -0.05 0.00 -1.81 0.00 0.00 57.70 53.00 3gaf n MET 156 Cb 0.30 -1.73 0.04 0.00 -0.71 0.00 0.00 33.22 31.12 3gaf n MET 156 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3gaf h ALA 157 N 1.18 0.50 0.08 3.04 0.00 -1.86 0.17 119.26 122.36 3gaf h ALA 157 Ca 0.00 0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 3gaf h ALA 157 Cb 1.30 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 3gaf h ALA 157 CO 0.15 -0.25 -0.92 0.66 0.00 0.00 0.00 179.25 178.89 3gaf h SER 158 N 0.30 0.26 -0.09 0.00 4.64 -1.90 -3.19 113.55 113.58 3gaf h SER 158 Ca 0.20 -0.86 -0.16 0.00 -0.47 0.00 0.00 61.79 60.50 3gaf h SER 158 Cb 0.20 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 62.21 3gaf h SER 158 CO -0.21 1.40 -0.56 0.22 -0.87 0.00 0.00 176.83 176.81 3gaf h TYR 159 N -0.58 0.74 0.36 4.77 3.20 -1.78 -2.37 116.97 121.31 3gaf h TYR 159 Ca -0.20 -0.34 -0.02 0.00 3.14 0.00 0.00 58.73 61.31 3gaf h TYR 159 Cb 1.49 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.65 3gaf h TYR 159 CO 0.17 1.13 -0.17 0.78 -1.64 0.00 0.00 178.16 178.43 3gaf h GLY 160 N 0.14 -0.51 2.00 1.82 0.00 -0.85 -2.41 103.07 103.27 3gaf h GLY 160 Ca -0.04 0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.41 3gaf h GLY 160 CO 0.12 -0.18 -0.30 1.48 0.00 0.00 0.00 176.54 177.65 3gaf h SER 161 N -0.50 0.00 -0.16 0.19 4.64 -1.64 -1.64 113.55 114.44 3gaf h SER 161 Ca -0.05 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.11 3gaf h SER 161 Cb 0.38 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 3gaf h SER 161 CO 0.08 0.30 -0.48 0.77 -0.87 0.00 0.00 176.83 176.63 3gaf h SER 162 N 0.00 0.79 -0.02 4.97 4.64 -1.33 -2.12 113.55 120.49 3gaf h SER 162 Ca -0.00 -0.40 -0.14 0.00 -0.47 0.00 0.00 61.79 60.78 3gaf h SER 162 Cb 0.61 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 3gaf h SER 162 CO 0.04 1.14 -0.45 0.11 -0.87 0.00 0.00 176.83 176.81 3gaf h LYS 163 N 0.57 0.55 -0.74 4.77 1.79 -1.20 -1.46 116.57 120.86 3gaf h LYS 163 Ca 0.03 -0.30 -0.03 0.00 -2.18 0.00 0.00 60.65 58.17 3gaf h LYS 163 Cb 1.05 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.68 3gaf h LYS 163 CO 0.10 0.89 0.34 0.00 -1.08 0.00 0.00 179.45 179.71 3gaf h ALA 164 N 1.06 1.21 -0.82 3.86 0.00 -1.26 -0.57 119.26 122.74 3gaf h ALA 164 Ca 0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3gaf h ALA 164 Cb 0.96 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 3gaf h ALA 164 CO 0.09 0.60 0.35 0.00 0.00 0.00 0.00 179.25 180.28 3gaf h ALA 165 N 1.32 1.07 -0.19 0.00 0.00 -1.24 -1.42 119.26 118.80 3gaf h ALA 165 Ca 0.25 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3gaf h ALA 165 Cb 0.13 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3gaf h ALA 165 CO -0.03 0.67 0.10 0.28 0.00 0.00 0.00 179.25 180.27 3gaf h VAL 166 N 1.18 1.00 -0.28 0.00 2.07 -0.43 -0.61 116.25 119.18 3gaf h VAL 166 Ca 0.28 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.76 3gaf h VAL 166 Cb 0.18 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 3gaf h VAL 166 CO -0.03 0.04 0.07 0.78 0.02 0.00 0.00 177.57 178.45 3gaf h ASN 167 N 0.21 0.04 1.04 0.57 4.21 -0.99 -2.46 115.58 118.19 3gaf h ASN 167 Ca 0.08 0.04 -0.12 0.00 1.21 0.00 0.00 56.30 57.50 3gaf h ASN 167 Cb 0.01 0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.24 3gaf h ASN 167 CO -0.05 0.06 -0.58 -0.74 -1.29 0.00 0.00 177.43 174.83 3gaf h HIS 168 N 0.17 0.00 -0.67 1.19 2.76 -1.13 -2.82 115.15 114.66 3gaf h HIS 168 Ca 0.13 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.27 3gaf h HIS 168 Cb 0.12 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.05 3gaf h HIS 168 CO -0.16 0.58 0.32 1.25 -1.30 0.00 0.00 177.93 178.62 3gaf h LEU 169 N 0.00 0.88 -0.15 0.26 5.85 -0.91 -1.89 115.31 119.35 3gaf h LEU 169 Ca -0.01 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.62 3gaf h LEU 169 Cb 1.25 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 3gaf h LEU 169 CO 0.08 0.76 -0.07 0.74 -0.34 0.00 0.00 178.44 179.61 3gaf h THR 170 N 0.93 0.77 -0.46 1.05 2.02 -1.24 0.32 112.91 116.29 3gaf h THR 170 Ca 0.23 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.43 3gaf h THR 170 Cb 0.12 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 3gaf h THR 170 CO -0.03 0.00 0.28 0.03 0.37 0.00 0.00 175.52 176.17 3gaf h ARG 171 N -0.06 0.54 0.16 6.66 3.08 -1.37 -2.85 114.38 120.53 3gaf h ARG 171 Ca 0.08 -0.03 -0.22 0.00 0.07 0.00 0.00 59.98 59.88 3gaf h ARG 171 Cb 0.18 -0.12 0.03 0.00 0.08 0.00 0.00 29.97 30.14 3gaf h ARG 171 CO -0.19 0.36 -0.98 -0.91 -1.07 0.00 0.00 179.97 177.19 3gaf h ASN 172 N 0.56 0.58 0.52 7.04 2.35 -1.00 -3.23 115.58 122.40 3gaf h ASN 172 Ca 0.18 -0.93 0.00 0.00 -0.55 0.00 0.00 56.30 55.00 3gaf h ASN 172 Cb 0.00 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.18 3gaf h ASN 172 CO -0.08 1.47 0.00 2.30 -1.65 0.00 0.00 177.43 179.47 3gaf n ILE 173 N -4.02 1.02 0.24 2.81 -5.35 0.11 -0.79 119.36 113.38 3gaf n ILE 173 Ca -0.14 0.27 0.08 0.00 -0.27 0.00 0.00 62.75 62.69 3gaf n ILE 173 Cb 0.89 -1.10 0.60 0.00 -1.74 0.00 0.00 39.64 38.29 3gaf n ILE 173 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3gaf h ALA 174 N 2.39 1.66 -0.04 -1.28 0.00 -1.51 -1.25 119.26 119.23 3gaf h ALA 174 Ca 0.00 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 3gaf h ALA 174 Cb 0.26 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3gaf h ALA 174 CO 0.00 0.16 -0.78 0.74 0.00 0.00 0.00 179.25 179.37 3gaf h PHE 175 N 0.00 0.40 0.12 0.00 -1.00 -1.11 -2.42 116.94 112.92 3gaf h PHE 175 Ca -0.00 -0.19 -0.24 0.00 2.81 0.00 0.00 57.97 60.34 3gaf h PHE 175 Cb 0.25 -0.06 0.03 0.00 3.61 0.00 0.00 35.95 39.78 3gaf h PHE 175 CO 0.00 0.96 -1.02 -0.44 -1.61 0.00 0.00 178.31 176.20 3gaf h ASP 176 N 0.18 0.70 0.10 2.17 3.45 -1.50 -3.38 116.42 118.15 3gaf h ASP 176 Ca -0.04 -0.86 0.00 0.00 0.43 0.00 0.00 57.03 56.57 3gaf h ASP 176 Cb 1.37 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 39.92 3gaf h ASP 176 CO 0.13 1.49 -0.72 1.33 -1.57 0.00 0.00 179.24 179.89 3gaf n VAL 177 N -3.97 0.00 0.03 -1.35 0.24 -0.52 -4.42 118.33 108.35 3gaf n VAL 177 Ca -0.13 -0.08 -0.10 0.00 -2.04 0.00 0.00 64.34 61.98 3gaf n VAL 177 Cb 0.89 0.89 -0.04 0.00 -1.47 0.00 0.00 33.84 34.11 3gaf n VAL 177 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3gaf h GLY 178 N 4.95 -0.08 1.98 7.63 0.00 -1.39 -1.39 103.07 114.77 3gaf h GLY 178 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3gaf h GLY 178 CO 0.00 -0.12 0.01 -2.55 0.00 0.00 0.00 176.54 173.88 3gaf h PRO 179 N -0.16 0.00 -0.33 4.80 0.11 -1.81 -0.43 132.00 134.17 3gaf h PRO 179 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3gaf h PRO 179 Cb 0.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.36 3gaf h PRO 179 CO -0.16 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 176.30 3gaf n MET 180 N -2.40 1.92 -1.01 1.05 2.81 -0.62 -4.91 117.12 113.95 3gaf n MET 180 Ca -0.02 -1.42 -0.00 0.00 -1.81 0.00 0.00 57.70 54.45 3gaf n MET 180 Cb 0.05 -1.36 -0.00 0.00 -0.71 0.00 0.00 33.22 31.20 3gaf n MET 180 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gaf n GLY 181 N 1.17 0.47 3.48 3.03 0.00 -0.17 -4.35 105.19 108.82 3gaf n GLY 181 Ca 0.15 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 3gaf n GLY 181 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gaf s ILE 182 N -1.99 4.11 0.16 -0.61 1.01 -0.63 -1.93 121.20 121.32 3gaf s ILE 182 Ca 0.00 -0.26 -0.15 0.00 0.00 0.00 0.00 60.65 60.24 3gaf s ILE 182 Cb 0.00 -2.86 -0.07 0.00 0.01 0.00 0.00 42.46 39.54 3gaf s ILE 182 CO 0.00 0.43 0.57 -0.13 0.00 0.00 0.00 174.94 175.81 3gaf s ARG 183 N 0.90 4.02 -0.09 2.79 0.52 -0.75 -3.18 118.95 123.16 3gaf s ARG 183 Ca 0.01 0.54 -0.00 0.00 -0.52 0.00 0.00 55.73 55.77 3gaf s ARG 183 Cb -0.14 -2.92 0.02 0.00 0.52 0.00 0.00 34.95 32.43 3gaf s ARG 183 CO 0.02 0.47 -0.05 0.08 0.02 0.00 0.00 175.30 175.83 3gaf s VAL 184 N -1.47 0.80 0.22 3.52 1.01 -1.26 -0.62 120.40 122.60 3gaf s VAL 184 Ca 0.39 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.22 3gaf s VAL 184 Cb -0.15 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.32 3gaf s VAL 184 CO 0.19 0.33 0.06 0.20 0.00 0.00 0.00 175.10 175.88 3gaf s ASN 185 N 1.68 1.11 0.10 3.32 0.01 -0.69 0.42 114.94 120.89 3gaf s ASN 185 Ca 0.03 -1.30 0.03 0.00 -0.71 0.00 0.00 52.86 50.91 3gaf s ASN 185 Cb -0.13 0.16 -0.04 0.00 0.41 0.00 0.00 41.25 41.66 3gaf s ASN 185 CO -0.06 -0.68 -0.09 0.00 -1.51 0.00 0.00 177.10 174.76 3gaf s ALA 186 N -3.75 1.06 -0.01 0.60 0.00 0.26 -0.62 121.76 119.30 3gaf s ALA 186 Ca 0.32 -1.23 0.08 0.00 0.00 0.00 0.00 51.96 51.13 3gaf s ALA 186 Cb 0.07 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.24 3gaf s ALA 186 CO 0.10 -0.10 -0.25 0.42 0.00 0.00 0.00 175.76 175.93 3gaf s ILE 187 N -2.80 1.96 -0.37 0.00 1.01 -0.41 -0.82 121.20 119.76 3gaf s ILE 187 Ca 0.07 -1.10 0.02 0.00 0.00 0.00 0.00 60.65 59.64 3gaf s ILE 187 Cb -0.00 -1.64 0.10 0.00 0.01 0.00 0.00 42.46 40.93 3gaf s ILE 187 CO -0.01 0.52 0.11 0.00 0.00 0.00 0.00 174.94 175.55 3gaf s ALA 188 N -0.61 2.99 0.30 9.38 0.00 -0.08 0.88 121.76 134.62 3gaf s ALA 188 Ca 0.10 -2.58 -0.27 0.00 0.00 0.00 0.00 51.96 49.21 3gaf s ALA 188 Cb -0.10 -2.11 -0.10 0.00 0.00 0.00 0.00 23.12 20.82 3gaf s ALA 188 CO -0.01 -1.74 0.95 -1.25 0.00 0.00 0.00 175.76 173.72 3gaf s PRO 189 N 0.91 4.65 0.00 0.00 0.04 -1.26 -1.65 135.00 137.69 3gaf s PRO 189 Ca 0.11 1.40 -0.00 0.00 0.04 0.00 0.00 61.00 62.54 3gaf s PRO 189 Cb -0.20 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.39 3gaf s PRO 189 CO -0.07 0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.72 3gaf n GLY 190 N 0.84 -1.22 3.67 0.56 0.00 -0.31 -4.43 105.19 104.30 3gaf n GLY 190 Ca 0.01 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 3gaf n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gaf s ALA 191 N -3.93 3.63 0.11 4.61 0.00 -1.26 -4.88 121.76 120.04 3gaf s ALA 191 Ca 0.00 1.00 -0.06 0.00 0.00 0.00 0.00 51.96 52.90 3gaf s ALA 191 Cb -0.00 -3.71 -0.05 0.00 0.00 0.00 0.00 23.12 19.36 3gaf s ALA 191 CO 0.00 -1.23 0.37 0.42 0.00 0.00 0.00 175.76 175.32 3gaf s ILE 192 N 3.35 5.17 0.02 0.00 -1.09 -1.26 -1.30 121.20 126.08 3gaf s ILE 192 Ca 0.72 0.15 -0.30 0.00 -2.23 0.00 0.00 60.65 58.98 3gaf s ILE 192 Cb -0.35 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 36.87 3gaf s ILE 192 CO 0.30 0.14 1.10 -0.75 -1.23 0.00 0.00 174.94 174.50 3gaf s LYS 193 N -2.36 4.48 0.00 2.79 2.36 0.75 -4.81 119.74 122.94 3gaf s LYS 193 Ca 0.37 1.61 0.00 0.00 -2.55 0.00 0.00 55.97 55.40 3gaf s LYS 193 Cb -0.13 -3.42 0.00 0.00 -1.05 0.00 0.00 37.83 33.24 3gaf s LYS 193 CO 0.22 -0.19 0.00 2.41 1.55 0.00 0.00 175.35 179.34 3gaf n THR 194 N 3.99 0.00 -3.24 3.43 -1.04 -1.26 -4.76 114.28 111.40 3gaf n THR 194 Ca 0.08 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.82 3gaf n THR 194 Cb 0.48 -0.23 -0.02 0.00 -1.82 0.00 0.00 70.33 68.74 3gaf n THR 194 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3gaf s THR 202 N -1.23 5.03 0.27 12.58 -4.23 -1.26 -5.25 115.64 121.55 3gaf s THR 202 Ca 0.00 -0.09 -0.02 0.00 -1.18 0.00 0.00 61.69 60.40 3gaf s THR 202 Cb 0.00 -3.80 0.31 0.00 1.34 0.00 0.00 72.50 70.35 3gaf s THR 202 CO 0.00 -0.48 1.63 -0.65 -0.54 0.00 0.00 174.62 174.58 3gaf h PRO 203 N 1.14 0.14 -0.44 3.99 0.11 -2.06 -1.14 132.00 133.74 3gaf h PRO 203 Ca -0.48 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 3gaf h PRO 203 Cb 1.20 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3gaf h PRO 203 CO 0.64 0.09 -0.13 0.93 -0.21 0.00 0.00 178.00 179.32 3gaf h GLU 204 N 0.15 0.87 -0.10 1.05 3.07 -2.06 -2.27 114.58 115.29 3gaf h GLU 204 Ca 0.50 -0.35 -0.11 0.00 -0.50 0.00 0.00 59.36 58.91 3gaf h GLU 204 Cb 0.97 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.83 3gaf h GLU 204 CO -0.69 0.99 -0.41 0.82 -1.40 0.00 0.00 179.01 178.31 3gaf h ILE 205 N 0.70 1.31 0.14 3.13 2.04 -1.93 -2.97 117.51 119.94 3gaf h ILE 205 Ca 0.11 -1.52 -0.01 0.00 1.00 0.00 0.00 64.86 64.44 3gaf h ILE 205 Cb 0.68 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 3gaf h ILE 205 CO 0.05 0.45 -0.07 -0.33 0.00 0.00 0.00 178.15 178.25 3gaf h GLU 206 N 0.18 -0.18 -0.80 2.37 5.08 -1.06 -2.24 114.58 117.94 3gaf h GLU 206 Ca 0.02 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.48 3gaf h GLU 206 Cb 0.81 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.03 3gaf h GLU 206 CO 0.06 -0.00 0.44 0.00 -1.00 0.00 0.00 179.01 178.51 3gaf h ARG 207 N -0.33 0.72 0.12 2.33 2.47 -1.40 -1.26 114.38 117.04 3gaf h ARG 207 Ca -0.02 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.65 3gaf h ARG 207 Cb 0.26 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 3gaf h ARG 207 CO 0.03 0.48 -0.06 0.00 0.56 0.00 0.00 179.97 180.98 3gaf h ALA 208 N 1.45 -0.16 -0.80 0.04 0.00 -1.49 -2.38 119.26 115.93 3gaf h ALA 208 Ca 0.39 -0.06 0.21 0.00 0.00 0.00 0.00 54.91 55.44 3gaf h ALA 208 Cb 0.37 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3gaf h ALA 208 CO -0.25 -0.56 0.55 0.52 0.00 0.00 0.00 179.25 179.51 3gaf h MET 209 N -0.23 0.16 -0.44 0.00 2.07 -0.97 -2.83 114.93 112.70 3gaf h MET 209 Ca -0.02 -0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 3gaf h MET 209 Cb 0.18 -0.04 0.00 0.00 -1.87 0.00 0.00 31.60 29.87 3gaf h MET 209 CO 0.03 0.11 0.00 1.28 1.07 0.00 0.00 176.91 179.40 3gaf n LEU 210 N -4.39 2.84 -0.32 1.22 4.77 -0.52 -3.84 117.00 116.77 3gaf n LEU 210 Ca 0.16 -1.33 0.09 0.00 -0.03 0.00 0.00 56.01 54.90 3gaf n LEU 210 Cb 0.75 -0.29 0.26 0.00 -2.33 0.00 0.00 43.42 41.81 3gaf n LEU 210 CO 0.35 0.67 1.14 0.11 -1.33 0.00 0.00 177.39 178.32 3gaf h LYS 211 N 3.35 0.67 -0.05 3.23 1.79 -1.41 -2.66 116.57 121.49 3gaf h LYS 211 Ca 0.00 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 3gaf h LYS 211 Cb 0.75 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.24 3gaf h LYS 211 CO 0.00 0.44 -0.36 0.72 -1.08 0.00 0.00 179.45 179.18 3gaf n HIS 212 N -4.83 0.15 -3.59 -1.35 8.25 -1.26 -4.90 115.22 107.70 3gaf n HIS 212 Ca 0.19 -1.42 -0.40 0.00 -0.26 0.00 0.00 57.72 55.83 3gaf n HIS 212 Cb 0.48 -0.27 -0.09 0.00 1.12 0.00 0.00 29.99 31.23 3gaf n HIS 212 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3gaf s THR 213 N -3.17 4.14 0.30 1.59 2.01 -1.00 -3.56 115.64 115.93 3gaf s THR 213 Ca 0.38 -1.70 0.02 0.00 0.31 0.00 0.00 61.69 60.70 3gaf s THR 213 Cb 0.36 -3.68 0.35 0.00 0.01 0.00 0.00 72.50 69.54 3gaf s THR 213 CO -0.04 -0.69 1.61 -0.65 -0.69 0.00 0.00 174.62 174.16 3gaf h PRO 214 N 8.41 0.10 0.00 4.92 0.11 -1.80 0.15 132.00 143.89 3gaf h PRO 214 Ca -0.21 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3gaf h PRO 214 Cb 1.07 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3gaf h PRO 214 CO 0.82 0.07 0.00 1.28 -0.21 0.00 0.00 178.00 179.96 3gaf n LEU 215 N -5.34 0.00 -2.84 2.35 4.77 -0.41 -4.90 117.00 110.62 3gaf n LEU 215 Ca 0.22 0.36 -0.22 0.00 -0.03 0.00 0.00 56.01 56.35 3gaf n LEU 215 Cb 0.73 -0.36 0.02 0.00 -2.33 0.00 0.00 43.42 41.48 3gaf n LEU 215 CO 0.01 -0.10 -0.08 0.61 -1.33 0.00 0.00 177.39 176.49 3gaf n GLY 216 N 0.60 -0.52 3.36 -0.72 0.00 0.53 -4.97 105.19 103.48 3gaf n GLY 216 Ca 0.08 0.09 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 3gaf n GLY 216 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gaf s ARG 217 N -5.51 1.11 0.78 1.61 1.70 -1.26 -5.09 118.95 112.29 3gaf s ARG 217 Ca 0.21 -0.50 -0.12 0.00 -0.47 0.00 0.00 55.73 54.85 3gaf s ARG 217 Cb -0.09 0.50 0.06 0.00 -0.57 0.00 0.00 34.95 34.85 3gaf s ARG 217 CO 0.26 -0.44 1.13 -0.51 -1.08 0.00 0.00 175.30 174.67 3gaf s LEU 218 N -2.53 2.60 0.75 -1.89 1.43 -1.26 -4.93 118.68 112.85 3gaf s LEU 218 Ca -0.00 0.99 -0.09 0.00 -1.03 0.00 0.00 54.13 54.00 3gaf s LEU 218 Cb 0.00 -3.59 0.07 0.00 0.03 0.00 0.00 46.19 42.70 3gaf s LEU 218 CO -0.09 -1.79 1.09 -0.83 0.23 0.00 0.00 176.35 174.96 3gaf s GLY 219 N -4.35 1.64 0.23 -3.19 0.00 -0.42 -4.81 107.32 96.42 3gaf s GLY 219 Ca 0.61 -0.78 0.11 0.00 0.00 0.00 0.00 44.72 44.65 3gaf s GLY 219 CO 0.51 -0.34 -0.16 -0.54 0.00 0.00 0.00 173.10 172.57 3gaf s GLU 220 N -5.39 1.82 0.42 2.90 0.41 -1.26 -0.18 118.70 117.42 3gaf s GLU 220 Ca 0.61 -1.54 0.08 0.00 -0.41 0.00 0.00 54.97 53.70 3gaf s GLU 220 Cb -0.11 -1.94 0.88 0.00 -1.78 0.00 0.00 34.13 31.19 3gaf s GLU 220 CO 0.47 0.38 2.05 0.00 -0.49 0.00 0.00 175.26 177.66 3gaf h ALA 221 N 2.58 1.70 -0.32 5.21 0.00 -1.94 -1.84 119.26 124.65 3gaf h ALA 221 Ca -0.44 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 3gaf h ALA 221 Cb 1.23 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3gaf h ALA 221 CO 0.56 0.26 -0.05 0.37 0.00 0.00 0.00 179.25 180.38 3gaf h GLN 222 N 0.46 0.51 -0.41 0.00 5.75 -1.94 -2.12 115.11 117.35 3gaf h GLN 222 Ca 0.12 -0.12 0.07 0.00 -0.15 0.00 0.00 58.65 58.57 3gaf h GLN 222 Cb 0.01 -0.07 -0.06 0.00 1.07 0.00 0.00 27.48 28.43 3gaf h GLN 222 CO -0.02 0.57 0.05 -0.44 -2.65 0.00 0.00 178.83 176.34 3gaf h ASP 223 N 0.48 -0.07 -0.14 -0.69 3.32 -1.74 0.34 116.42 117.93 3gaf h ASP 223 Ca 0.10 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 3gaf h ASP 223 Cb 0.39 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 3gaf h ASP 223 CO 0.02 -0.00 0.04 0.40 -1.72 0.00 0.00 179.24 177.98 3gaf h ILE 224 N 0.16 1.18 -0.96 0.35 1.08 -1.56 -2.80 117.51 114.97 3gaf h ILE 224 Ca 0.20 -0.56 0.04 0.00 -0.39 0.00 0.00 64.86 64.15 3gaf h ILE 224 Cb 0.27 1.30 -0.06 0.00 -3.07 0.00 0.00 36.82 35.26 3gaf h ILE 224 CO -0.30 0.17 0.63 0.00 -0.69 0.00 0.00 178.15 177.96 3gaf h ALA 225 N 0.85 1.39 -0.86 1.87 0.00 -0.92 0.29 119.26 121.89 3gaf h ALA 225 Ca 0.04 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.97 3gaf h ALA 225 Cb 0.23 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 3gaf h ALA 225 CO -0.00 0.51 0.54 -0.91 0.00 0.00 0.00 179.25 179.39 3gaf h ASN 226 N 1.20 0.86 -0.13 0.00 2.35 -0.30 0.14 115.58 119.70 3gaf h ASN 226 Ca 0.39 0.01 -0.18 0.00 -0.55 0.00 0.00 56.30 55.96 3gaf h ASN 226 Cb 0.03 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.23 3gaf h ASN 226 CO -0.12 0.56 -0.59 0.00 -1.65 0.00 0.00 177.43 175.63 3gaf h ALA 227 N 1.39 0.53 -0.14 -0.83 0.00 -1.00 -2.04 119.26 117.17 3gaf h ALA 227 Ca 0.37 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3gaf h ALA 227 Cb 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3gaf h ALA 227 CO -0.16 0.69 0.09 0.00 0.00 0.00 0.00 179.25 179.87 3gaf h ALA 228 N 0.78 0.18 0.16 0.00 0.00 -0.10 -1.44 119.26 118.84 3gaf h ALA 228 Ca -0.00 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3gaf h ALA 228 Cb 1.18 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 3gaf h ALA 228 CO 0.12 -0.32 -0.42 1.25 0.00 0.00 0.00 179.25 179.89 3gaf h LEU 229 N 0.17 -1.23 -0.82 0.00 5.85 -0.72 -1.78 115.31 116.79 3gaf h LEU 229 Ca 0.05 0.13 0.14 0.00 0.84 0.00 0.00 57.88 59.04 3gaf h LEU 229 Cb 0.01 0.46 -0.14 0.00 0.37 0.00 0.00 40.66 41.35 3gaf h LEU 229 CO -0.01 -0.50 -0.34 0.15 -0.34 0.00 0.00 178.44 177.40 3gaf h PHE 230 N -0.68 -0.92 0.00 1.25 3.57 -1.16 -2.35 116.94 116.65 3gaf h PHE 230 Ca 0.01 0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 3gaf h PHE 230 Cb 0.69 0.52 -0.00 0.00 2.79 0.00 0.00 35.95 39.95 3gaf h PHE 230 CO -0.35 -0.39 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.15 3gaf h LEU 231 N -0.06 0.00 -2.32 0.59 3.38 -0.89 -2.65 115.31 113.35 3gaf h LEU 231 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3gaf h LEU 231 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3gaf h LEU 231 CO -0.85 0.12 0.00 0.00 0.09 0.00 0.00 178.44 177.79 3gaf s SER 233 N -1.44 5.04 0.64 0.00 1.04 -1.00 -4.86 113.70 113.13 3gaf s SER 233 Ca 0.40 -0.70 0.42 0.00 0.48 0.00 0.00 55.95 56.55 3gaf s SER 233 Cb 0.23 -0.68 2.17 0.00 0.10 0.00 0.00 66.02 67.84 3gaf s SER 233 CO 0.32 -0.54 2.28 -0.65 0.98 0.00 0.00 173.24 175.63 3gaf h PRO 234 N 1.15 0.00 -0.04 4.02 0.11 -1.78 -2.09 132.00 133.37 3gaf h PRO 234 Ca -0.43 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.70 3gaf h PRO 234 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 3gaf h PRO 234 CO 0.59 0.00 0.07 0.00 -0.21 0.00 0.00 178.00 178.45 3gaf h ALA 235 N 2.00 1.41 -0.19 -0.75 0.00 -1.60 -2.42 119.26 117.72 3gaf h ALA 235 Ca -0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3gaf h ALA 235 Cb 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3gaf h ALA 235 CO 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 179.25 179.06 3gaf n ALA 236 N -2.22 3.32 0.33 0.00 0.00 -0.79 -4.83 120.51 116.32 3gaf n ALA 236 Ca -0.02 -2.79 0.19 0.00 0.00 0.00 0.00 53.44 50.83 3gaf n ALA 236 Cb 0.16 -0.59 1.03 0.00 0.00 0.00 0.00 19.45 20.05 3gaf n ALA 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gaf h ALA 237 N 1.00 1.20 -0.41 0.00 0.00 -1.43 -1.21 119.26 118.41 3gaf h ALA 237 Ca 0.07 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 3gaf h ALA 237 Cb 1.34 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 19.05 3gaf h ALA 237 CO 0.19 -0.15 0.05 1.87 0.00 0.00 0.00 179.25 181.21 3gaf n TRP 238 N -3.07 1.36 -4.22 0.00 -0.00 -1.26 -4.95 117.44 105.30 3gaf n TRP 238 Ca -0.02 -1.28 -0.33 0.00 -0.00 0.00 0.00 57.50 55.86 3gaf n TRP 238 Cb 0.21 -0.48 -0.15 0.00 -0.00 0.00 0.00 31.31 30.89 3gaf n TRP 238 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 3gaf s ILE 239 N -3.05 2.53 -0.06 5.87 1.01 -0.46 -5.10 121.20 121.94 3gaf s ILE 239 Ca 0.46 -0.79 -0.25 0.00 0.00 0.00 0.00 60.65 60.06 3gaf s ILE 239 Cb 0.39 -2.09 0.06 0.00 0.01 0.00 0.00 42.46 40.83 3gaf s ILE 239 CO 0.06 0.51 0.57 -0.55 0.00 0.00 0.00 174.94 175.53 3gaf s SER 240 N 1.17 -0.53 -0.00 3.58 0.15 -1.26 -4.64 113.70 112.17 3gaf s SER 240 Ca 0.02 0.60 0.00 0.00 0.70 0.00 0.00 55.95 57.27 3gaf s SER 240 Cb -0.14 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 3gaf s SER 240 CO -0.06 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 174.47 3gaf n GLY 241 N 1.22 0.44 3.79 9.45 0.00 0.17 -4.95 105.19 115.32 3gaf n GLY 241 Ca -0.19 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 3gaf n GLY 241 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gaf s GLN 242 N -0.96 2.95 -0.27 1.61 -1.52 -1.25 -4.31 119.66 115.90 3gaf s GLN 242 Ca 0.00 -0.67 -0.00 0.00 -1.95 0.00 0.00 55.36 52.74 3gaf s GLN 242 Cb 0.00 -2.76 0.05 0.00 -0.22 0.00 0.00 33.01 30.07 3gaf s GLN 242 CO 0.00 0.57 -0.05 0.08 -0.25 0.00 0.00 175.29 175.63 3gaf s VAL 243 N -1.42 2.69 -0.24 1.09 1.01 -1.26 -0.57 120.40 121.70 3gaf s VAL 243 Ca 0.30 -1.35 -0.13 0.00 0.00 0.00 0.00 61.98 60.80 3gaf s VAL 243 Cb -0.12 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 3gaf s VAL 243 CO 0.23 0.02 0.28 -0.22 0.00 0.00 0.00 175.10 175.40 3gaf s LEU 244 N 1.23 4.10 -0.24 3.92 2.96 -0.01 -4.95 118.68 125.69 3gaf s LEU 244 Ca -0.05 0.24 -0.12 0.00 -0.22 0.00 0.00 54.13 53.99 3gaf s LEU 244 Cb -0.19 -2.29 -0.05 0.00 0.50 0.00 0.00 46.19 44.16 3gaf s LEU 244 CO -0.03 -0.04 0.21 -0.89 -1.32 0.00 0.00 176.35 174.27 3gaf s THR 245 N 1.45 5.32 -0.48 3.68 2.01 -1.26 -0.90 115.64 125.46 3gaf s THR 245 Ca 0.12 0.28 0.02 0.00 0.31 0.00 0.00 61.69 62.41 3gaf s THR 245 Cb -0.15 -3.55 0.13 0.00 0.01 0.00 0.00 72.50 68.94 3gaf s THR 245 CO 0.08 0.31 0.23 -0.69 -0.69 0.00 0.00 174.62 173.86 3gaf s VAL 246 N 1.22 2.85 0.00 3.82 1.01 -0.66 -4.88 120.40 123.76 3gaf s VAL 246 Ca 0.10 -2.80 0.03 0.00 0.00 0.00 0.00 61.98 59.30 3gaf s VAL 246 Cb -0.14 -2.97 0.05 0.00 0.00 0.00 0.00 36.38 33.31 3gaf s VAL 246 CO 0.06 -0.75 0.90 -1.54 0.00 0.00 0.00 175.10 173.77 3gaf n SER 247 N 3.71 -0.50 -0.20 3.32 3.41 -1.26 -1.17 113.62 120.94 3gaf n SER 247 Ca 0.04 -1.75 -0.03 0.00 -0.26 0.00 0.00 58.87 56.87 3gaf n SER 247 Cb 0.37 0.14 -0.01 0.00 -0.26 0.00 0.00 64.21 64.45 3gaf n SER 247 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gaf n GLY 248 N 0.05 0.54 0.00 5.00 0.00 -1.26 -2.43 105.19 107.09 3gaf n GLY 248 Ca -0.16 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3gaf n GLY 248 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gaf n GLY 249 N -1.75 0.57 0.00 -0.02 0.00 -1.26 -1.29 105.19 101.44 3gaf n GLY 249 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3gaf n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gaf n GLY 250 N -1.88 2.61 3.52 -0.02 0.00 -1.02 -4.59 105.19 103.80 3gaf n GLY 250 Ca 0.00 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 3gaf n GLY 250 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gaf s VAL 251 N -2.81 3.54 -0.28 1.61 -7.23 -1.23 -4.77 120.40 109.23 3gaf s VAL 251 Ca 0.00 -0.52 -0.14 0.00 -1.81 0.00 0.00 61.98 59.51 3gaf s VAL 251 Cb 0.00 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 3gaf s VAL 251 CO 0.00 0.56 0.33 -1.10 -0.31 0.00 0.00 175.10 174.59 3gaf s GLN 252 N -0.38 3.97 -0.22 4.82 1.11 -1.26 -4.45 119.66 123.26 3gaf s GLN 252 Ca 0.05 -0.07 -0.22 0.00 0.01 0.00 0.00 55.36 55.14 3gaf s GLN 252 Cb -0.12 -3.67 0.06 0.00 -1.01 0.00 0.00 33.01 28.27 3gaf s GLN 252 CO 0.02 -0.27 0.61 -1.21 0.01 0.00 0.00 175.29 174.45 3gaf s GLU 253 N 2.00 0.74 0.00 2.91 2.02 -1.25 -4.90 118.70 120.21 3gaf s GLU 253 Ca 0.13 0.80 0.00 0.00 0.02 0.00 0.00 54.97 55.92 3gaf s GLU 253 Cb -0.16 0.36 0.00 0.00 0.10 0.00 0.00 34.13 34.43 3gaf s GLU 253 CO 0.10 -0.10 0.36 1.28 0.02 0.00 0.00 175.26 176.92