#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gaf h PRO 6 N 0.00 0.33 -1.00 4.33 0.13 -2.01 -2.93 132.00 130.86 3gaf h PRO 6 Ca 0.00 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3gaf h PRO 6 Cb 0.00 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.05 3gaf h PRO 6 CO 0.00 0.22 0.00 1.19 -0.23 0.00 0.00 178.00 179.18 3gaf n PHE 7 N -4.86 0.03 -4.26 1.56 3.72 -1.26 -2.11 117.46 110.28 3gaf n PHE 7 Ca 0.30 -0.19 -0.23 0.00 -0.05 0.00 0.00 57.45 57.29 3gaf n PHE 7 Cb 1.00 -0.16 -0.07 0.00 -0.94 0.00 0.00 39.48 39.31 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 -0.68 2.68 -0.50 1.38 3.76 -1.11 -4.96 115.29 115.87 3gaf s HIS 8 Ca 0.01 -0.28 0.04 0.00 -0.15 0.00 0.00 55.06 54.68 3gaf s HIS 8 Cb 0.01 -1.32 0.42 0.00 1.11 0.00 0.00 32.58 32.80 3gaf s HIS 8 CO 0.00 0.55 1.31 1.28 -0.85 0.00 0.00 174.74 177.03 3gaf n LEU 9 N -0.95 5.33 -4.66 0.89 4.32 -0.45 -4.38 117.00 117.09 3gaf n LEU 9 Ca -0.05 -5.05 -0.42 0.00 -0.02 0.00 0.00 56.01 50.46 3gaf n LEU 9 Cb 0.60 -0.56 -0.03 0.00 -1.62 0.00 0.00 43.42 41.80 3gaf n LEU 9 CO 0.41 2.11 1.60 0.59 -1.22 0.00 0.00 177.39 180.89 3gaf n ASN 10 N -0.54 4.18 -0.30 -1.43 3.02 -1.25 -1.83 115.26 117.10 3gaf n ASN 10 Ca 0.43 0.90 -0.04 0.00 -0.03 0.00 0.00 54.58 55.85 3gaf n ASN 10 Cb 0.63 -1.53 -0.02 0.00 -0.61 0.00 0.00 39.78 38.26 3gaf n ASN 10 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3gaf n ASP 11 N 7.48 -4.02 -4.82 6.41 9.92 -1.25 -5.02 116.55 125.24 3gaf n ASP 11 Ca 0.20 0.10 -0.33 0.00 -0.53 0.00 0.00 54.79 54.23 3gaf n ASP 11 Cb 0.41 -1.86 -0.04 0.00 -0.64 0.00 0.00 41.12 38.98 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 -1.96 2.99 -0.21 2.24 0.00 -0.76 -4.94 121.76 119.11 3gaf s ALA 12 Ca 0.00 0.37 0.02 0.00 0.00 0.00 0.00 51.96 52.35 3gaf s ALA 12 Cb 0.00 -3.17 0.04 0.00 0.00 0.00 0.00 23.12 19.99 3gaf s ALA 12 CO 0.00 -0.16 -0.13 0.08 0.00 0.00 0.00 175.76 175.55 3gaf s VAL 13 N -2.31 1.90 -0.24 0.00 1.01 -1.26 -1.32 120.40 118.19 3gaf s VAL 13 Ca 0.62 -1.17 -0.05 0.00 0.00 0.00 0.00 61.98 61.39 3gaf s VAL 13 Cb -0.11 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 3gaf s VAL 13 CO 0.22 0.21 -0.00 0.00 0.00 0.00 0.00 175.10 175.53 3gaf s ALA 14 N 1.28 2.92 -0.13 5.51 0.00 0.09 -1.29 121.76 130.14 3gaf s ALA 14 Ca -0.02 -1.20 -0.22 0.00 0.00 0.00 0.00 51.96 50.52 3gaf s ALA 14 Cb -0.16 -1.84 -0.03 0.00 0.00 0.00 0.00 23.12 21.08 3gaf s ALA 14 CO -0.09 -0.52 0.64 0.42 0.00 0.00 0.00 175.76 176.21 3gaf s ILE 15 N 1.51 5.06 -0.14 0.00 1.01 -0.34 -0.97 121.20 127.33 3gaf s ILE 15 Ca 0.05 1.27 0.02 0.00 0.00 0.00 0.00 60.65 61.98 3gaf s ILE 15 Cb -0.15 -3.97 0.02 0.00 0.01 0.00 0.00 42.46 38.37 3gaf s ILE 15 CO -0.01 0.21 -0.18 -0.69 0.00 0.00 0.00 174.94 174.27 3gaf s VAL 16 N 1.20 1.78 0.26 2.92 1.01 -0.91 0.20 120.40 126.86 3gaf s VAL 16 Ca 0.32 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.52 3gaf s VAL 16 Cb -0.16 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 3gaf s VAL 16 CO 0.14 0.49 0.43 0.42 0.00 0.00 0.00 175.10 176.58 3gaf s THR 17 N 1.09 5.19 -1.46 3.92 -4.23 -0.73 -1.90 115.64 117.51 3gaf s THR 17 Ca -0.02 -0.57 -0.08 0.00 -1.18 0.00 0.00 61.69 59.83 3gaf s THR 17 Cb -0.14 -3.81 0.06 0.00 1.34 0.00 0.00 72.50 69.94 3gaf s THR 17 CO -0.05 -0.34 0.82 0.61 -0.54 0.00 0.00 174.62 175.11 3gaf n GLY 18 N -1.23 -0.40 1.71 3.99 0.00 -1.07 -3.37 105.19 104.83 3gaf n GLY 18 Ca -0.06 0.16 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 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 -4.50 4.45 0.08 4.61 0.00 -0.08 -4.43 120.51 120.65 3gaf n ALA 19 Ca -0.10 -2.57 -0.11 0.00 0.00 0.00 0.00 53.44 50.65 3gaf n ALA 19 Cb 0.59 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.88 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 1.99 0.37 -4.03 0.00 0.00 -1.81 -3.24 119.26 112.53 3gaf h ALA 20 Ca 0.27 -0.78 -0.26 0.00 0.00 0.00 0.00 54.91 54.14 3gaf h ALA 20 Cb 2.16 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.83 3gaf h ALA 20 CO 0.65 0.95 -0.26 0.00 0.00 0.00 0.00 179.25 180.60 3gaf n ALA 21 N -2.48 0.39 -0.27 0.00 0.00 -1.26 -4.77 120.51 112.12 3gaf n ALA 21 Ca -0.05 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.32 3gaf n ALA 21 Cb 0.88 0.87 0.00 0.00 0.00 0.00 0.00 19.45 21.20 3gaf n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gaf n GLY 22 N -0.35 2.36 0.12 0.00 0.00 -1.26 -1.75 105.19 104.31 3gaf n GLY 22 Ca 0.04 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 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 0.98 -0.63 -0.61 2.04 -1.92 -2.68 117.51 114.68 3gaf h ILE 23 Ca 0.00 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 3gaf h ILE 23 Cb 0.00 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 3gaf h ILE 23 CO 0.00 0.04 0.29 1.23 0.00 0.00 0.00 178.15 179.71 3gaf h GLY 24 N 0.22 0.98 1.00 5.37 0.00 -1.76 -0.08 103.07 108.81 3gaf h GLY 24 Ca 0.10 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 3gaf h GLY 24 CO -0.08 0.48 0.37 -0.09 0.00 0.00 0.00 176.54 177.21 3gaf h ARG 25 N 0.87 0.91 -0.54 4.80 2.43 -1.21 0.17 114.38 121.81 3gaf h ARG 25 Ca 0.21 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 59.20 3gaf h ARG 25 Cb 0.14 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 3gaf h ARG 25 CO -0.02 0.68 0.02 0.00 -1.51 0.00 0.00 179.97 179.14 3gaf h ALA 26 N 1.18 1.02 -0.14 2.80 0.00 -1.12 -0.60 119.26 122.40 3gaf h ALA 26 Ca 0.23 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3gaf h ALA 26 Cb 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3gaf h ALA 26 CO -0.04 0.61 0.02 0.82 0.00 0.00 0.00 179.25 180.66 3gaf h ILE 27 N 0.84 1.22 -0.34 0.00 2.04 -0.56 0.01 117.51 120.72 3gaf h ILE 27 Ca 0.16 -0.71 0.05 0.00 1.00 0.00 0.00 64.86 65.36 3gaf h ILE 27 Cb 0.47 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 3gaf h ILE 27 CO 0.02 0.21 0.04 0.00 0.00 0.00 0.00 178.15 178.43 3gaf h ALA 28 N 0.80 0.34 -0.49 1.87 0.00 -0.44 0.92 119.26 122.25 3gaf h ALA 28 Ca 0.04 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3gaf h ALA 28 Cb 0.31 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3gaf h ALA 28 CO 0.00 -0.36 0.13 0.78 0.00 0.00 0.00 179.25 179.81 3gaf h GLY 29 N 0.15 0.84 0.97 0.00 0.00 -1.09 -2.29 103.07 101.65 3gaf h GLY 29 Ca 0.16 -0.52 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 3gaf h GLY 29 CO -0.24 0.48 0.04 -0.84 0.00 0.00 0.00 176.54 175.99 3gaf h THR 30 N 0.67 1.25 -0.47 4.70 2.02 -0.74 -1.34 112.91 119.02 3gaf h THR 30 Ca 0.16 -0.97 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 3gaf h THR 30 Cb 0.31 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 3gaf h THR 30 CO -0.00 0.34 0.22 -0.26 0.37 0.00 0.00 175.52 176.18 3gaf h PHE 31 N 0.63 0.69 -0.22 3.16 -1.00 -0.76 -1.14 116.94 118.29 3gaf h PHE 31 Ca 0.13 -0.04 -0.00 0.00 2.81 0.00 0.00 57.97 60.87 3gaf h PHE 31 Cb 0.44 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.78 3gaf h PHE 31 CO 0.03 0.56 0.12 0.00 -1.61 0.00 0.00 178.31 177.41 3gaf h ALA 32 N 1.06 0.29 -0.44 2.45 0.00 -1.38 -1.21 119.26 120.03 3gaf h ALA 32 Ca 0.16 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.11 3gaf h ALA 32 Cb 0.14 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3gaf h ALA 32 CO -0.02 -0.18 0.31 1.57 0.00 0.00 0.00 179.25 180.93 3gaf h LYS 33 N 0.25 0.12 -0.00 0.00 2.10 -0.96 -1.38 116.57 116.70 3gaf h LYS 33 Ca 0.08 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 3gaf h LYS 33 Cb 0.07 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 3gaf h LYS 33 CO -0.01 0.08 -0.11 0.00 -2.00 0.00 0.00 179.45 177.41 3gaf n ALA 34 N -2.58 2.60 0.00 0.07 0.00 -0.45 -4.90 120.51 115.23 3gaf n ALA 34 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3gaf n ALA 34 Cb 0.42 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 1.49 1.05 3.82 0.00 0.00 -0.52 -1.34 105.19 109.69 3gaf n GLY 35 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.90 3.30 -0.13 4.61 0.00 -0.52 -3.79 121.76 123.32 3gaf s ALA 36 Ca 0.00 0.21 -0.28 0.00 0.00 0.00 0.00 51.96 51.89 3gaf s ALA 36 Cb 0.00 -2.91 -0.01 0.00 0.00 0.00 0.00 23.12 20.20 3gaf s ALA 36 CO 0.00 0.28 0.95 -1.12 0.00 0.00 0.00 175.76 175.87 3gaf s SER 37 N -1.93 7.14 -0.16 0.00 0.01 -0.44 -4.09 113.70 114.24 3gaf s SER 37 Ca 0.51 1.41 -0.03 0.00 1.31 0.00 0.00 55.95 59.15 3gaf s SER 37 Cb -0.14 -2.52 -0.02 0.00 0.21 0.00 0.00 66.02 63.55 3gaf s SER 37 CO 0.19 -0.45 -0.07 -0.69 0.41 0.00 0.00 173.24 172.64 3gaf s VAL 38 N 2.13 3.54 -0.45 3.43 1.01 -0.63 -0.73 120.40 128.70 3gaf s VAL 38 Ca 0.45 -0.48 -0.13 0.00 0.00 0.00 0.00 61.98 61.82 3gaf s VAL 38 Cb -0.17 -2.54 0.07 0.00 0.00 0.00 0.00 36.38 33.73 3gaf s VAL 38 CO 0.15 0.49 0.34 -0.69 0.00 0.00 0.00 175.10 175.39 3gaf s VAL 39 N 0.50 4.87 -0.15 2.92 1.01 -0.14 -1.83 120.40 127.59 3gaf s VAL 39 Ca -0.05 -1.14 -0.17 0.00 0.00 0.00 0.00 61.98 60.61 3gaf s VAL 39 Cb -0.15 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 3gaf s VAL 39 CO 0.03 -0.52 0.44 -0.69 0.00 0.00 0.00 175.10 174.36 3gaf s VAL 40 N 1.57 5.20 0.19 2.92 1.01 0.98 -2.14 120.40 130.13 3gaf s VAL 40 Ca 0.04 0.86 0.09 0.00 0.00 0.00 0.00 61.98 62.96 3gaf s VAL 40 Cb -0.23 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 3gaf s VAL 40 CO 0.05 0.31 -0.18 0.42 0.00 0.00 0.00 175.10 175.71 3gaf s THR 41 N 0.81 1.91 0.16 3.92 -4.23 -0.80 -0.46 115.64 116.94 3gaf s THR 41 Ca 0.23 -2.08 -0.23 0.00 -1.18 0.00 0.00 61.69 58.43 3gaf s THR 41 Cb -0.15 -1.98 0.07 0.00 1.34 0.00 0.00 72.50 71.78 3gaf s THR 41 CO 0.09 -0.40 0.63 -0.62 -0.54 0.00 0.00 174.62 173.78 3gaf s ASP 42 N -2.97 -0.53 0.37 3.99 -1.08 -1.00 -0.90 116.67 114.55 3gaf s ASP 42 Ca 0.20 -0.06 0.10 0.00 -0.52 0.00 0.00 52.55 52.27 3gaf s ASP 42 Cb -0.04 0.60 0.86 0.00 -1.46 0.00 0.00 42.92 42.87 3gaf s ASP 42 CO 0.08 -0.98 1.89 0.25 0.52 0.00 0.00 175.17 176.93 3gaf h LEU 43 N 2.00 0.60 -8.81 -1.34 5.85 -1.86 0.24 115.31 111.98 3gaf h LEU 43 Ca -0.32 0.03 -0.65 0.00 0.84 0.00 0.00 57.88 57.78 3gaf h LEU 43 Cb 1.30 -0.09 -0.18 0.00 0.37 0.00 0.00 40.66 42.06 3gaf h LEU 43 CO 0.36 0.32 -0.52 -0.54 -0.34 0.00 0.00 178.44 177.71 3gaf s LYS 44 N -5.62 3.78 0.45 1.25 -0.14 -1.26 -4.60 119.74 113.59 3gaf s LYS 44 Ca -0.09 -0.43 0.16 0.00 -1.36 0.00 0.00 55.97 54.24 3gaf s LYS 44 Cb 0.21 -3.65 1.02 0.00 -1.68 0.00 0.00 37.83 33.74 3gaf s LYS 44 CO 0.78 -0.25 1.98 0.66 -0.76 0.00 0.00 175.35 177.76 3gaf h SER 45 N 8.38 0.00 -0.53 2.83 4.64 -1.83 -2.60 113.55 124.44 3gaf h SER 45 Ca -0.34 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.96 3gaf h SER 45 Cb 1.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.24 3gaf h SER 45 CO 0.57 0.20 0.25 -0.33 -0.87 0.00 0.00 176.83 176.66 3gaf h GLU 46 N 0.00 0.76 -0.45 4.77 3.07 -1.94 0.03 114.58 120.82 3gaf h GLU 46 Ca -0.00 -0.11 -0.09 0.00 -0.50 0.00 0.00 59.36 58.66 3gaf h GLU 46 Cb 0.37 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 3gaf h GLU 46 CO 0.03 0.63 -0.07 0.78 -1.40 0.00 0.00 179.01 178.97 3gaf h GLY 47 N 0.71 0.85 0.96 -3.84 0.00 -1.88 -1.76 103.07 98.11 3gaf h GLY 47 Ca 0.18 -0.62 -0.05 0.00 0.00 0.00 0.00 47.33 46.84 3gaf h GLY 47 CO -0.02 0.57 0.10 0.00 0.00 0.00 0.00 176.54 177.19 3gaf h ALA 48 N 1.19 0.61 -0.18 3.60 0.00 -1.29 -3.05 119.26 120.15 3gaf h ALA 48 Ca 0.13 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 3gaf h ALA 48 Cb 0.55 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3gaf h ALA 48 CO 0.03 0.32 -0.40 0.93 0.00 0.00 0.00 179.25 180.13 3gaf h GLU 49 N 0.63 0.40 -0.25 0.00 4.39 -0.93 -1.53 114.58 117.29 3gaf h GLU 49 Ca 0.14 -0.19 0.04 0.00 0.34 0.00 0.00 59.36 59.69 3gaf h GLU 49 Cb 0.35 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.96 3gaf h GLU 49 CO 0.00 0.74 0.02 0.00 -1.16 0.00 0.00 179.01 178.61 3gaf h ALA 50 N 1.25 0.24 -0.32 3.43 0.00 -1.32 0.44 119.26 122.97 3gaf h ALA 50 Ca 0.03 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3gaf h ALA 50 Cb 0.85 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3gaf h ALA 50 CO 0.07 -0.40 0.06 0.28 0.00 0.00 0.00 179.25 179.26 3gaf h VAL 51 N 0.10 1.23 -0.63 0.00 2.07 -1.42 -1.74 116.25 115.87 3gaf h VAL 51 Ca 0.12 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 3gaf h VAL 51 Cb 0.14 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3gaf h VAL 51 CO -0.19 0.26 0.32 0.00 0.02 0.00 0.00 177.57 177.98 3gaf h ALA 52 N 0.90 0.80 -0.41 1.67 0.00 -1.09 -1.85 119.26 119.28 3gaf h ALA 52 Ca 0.10 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3gaf h ALA 52 Cb 0.32 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3gaf h ALA 52 CO 0.00 0.35 0.27 0.00 0.00 0.00 0.00 179.25 179.88 3gaf h ALA 53 N 1.14 0.53 -0.95 0.00 0.00 -0.04 -1.89 119.26 118.05 3gaf h ALA 53 Ca 0.22 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3gaf h ALA 53 Cb 0.09 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 3gaf h ALA 53 CO -0.03 -0.02 0.59 0.00 0.00 0.00 0.00 179.25 179.79 3gaf h ALA 54 N 1.15 1.21 -0.07 0.00 0.00 -1.06 0.10 119.26 120.60 3gaf h ALA 54 Ca 0.15 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3gaf h ALA 54 Cb -0.06 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.34 3gaf h ALA 54 CO -0.04 0.65 0.03 0.82 0.00 0.00 0.00 179.25 180.71 3gaf h ILE 55 N 1.30 1.12 -0.12 0.00 2.04 -1.16 -2.01 117.51 118.67 3gaf h ILE 55 Ca 0.34 -0.34 0.04 0.00 1.00 0.00 0.00 64.86 65.91 3gaf h ILE 55 Cb -0.08 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 3gaf h ILE 55 CO -0.07 0.10 -0.21 0.03 0.00 0.00 0.00 178.15 178.00 3gaf h ARG 56 N -0.02 -0.26 0.00 2.37 3.08 -0.89 0.16 114.38 118.82 3gaf h ARG 56 Ca 0.02 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3gaf h ARG 56 Cb 0.13 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3gaf h ARG 56 CO -0.00 -0.17 0.00 1.96 -1.07 0.00 0.00 179.97 180.69 3gaf h GLN 57 N -0.27 0.00 -0.31 0.04 4.20 -0.68 -1.23 115.11 116.86 3gaf h GLN 57 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3gaf h GLN 57 Cb 0.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 3gaf h GLN 57 CO -0.28 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 177.88 3gaf n ALA 58 N -1.97 2.34 0.00 3.87 0.00 -0.77 -4.97 120.51 119.01 3gaf n ALA 58 Ca -0.02 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.44 3gaf n ALA 58 Cb 0.09 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 0.92 1.96 3.94 0.00 0.00 -0.46 -5.07 105.19 106.48 3gaf n GLY 59 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.05 1.69 -0.18 -0.02 0.00 0.50 -4.95 107.32 102.30 3gaf s GLY 60 Ca 0.00 -1.02 -0.08 0.00 0.00 0.00 0.00 44.72 43.61 3gaf s GLY 60 CO 0.00 -0.72 0.10 0.54 0.00 0.00 0.00 173.10 173.02 3gaf s LYS 61 N -4.92 3.98 -0.20 2.90 -0.14 -1.26 -3.46 119.74 116.64 3gaf s LYS 61 Ca 0.56 -0.26 -0.28 0.00 -1.36 0.00 0.00 55.97 54.63 3gaf s LYS 61 Cb -0.10 -3.30 0.12 0.00 -1.68 0.00 0.00 37.83 32.87 3gaf s LYS 61 CO 0.42 0.37 0.97 0.00 -0.76 0.00 0.00 175.35 176.34 3gaf s ALA 62 N 0.13 -1.92 0.18 5.17 0.00 -1.26 -1.61 121.76 122.46 3gaf s ALA 62 Ca 0.07 1.69 0.07 0.00 0.00 0.00 0.00 51.96 53.79 3gaf s ALA 62 Cb -0.12 -0.93 -0.05 0.00 0.00 0.00 0.00 23.12 22.03 3gaf s ALA 62 CO -0.00 -0.29 -0.13 0.96 0.00 0.00 0.00 175.76 176.30 3gaf s ILE 63 N -0.55 1.55 -0.06 0.00 -4.36 -0.76 -4.85 121.20 112.17 3gaf s ILE 63 Ca -0.01 -2.14 0.02 0.00 -0.26 0.00 0.00 60.65 58.26 3gaf s ILE 63 Cb -0.02 -1.96 0.01 0.00 1.25 0.00 0.00 42.46 41.74 3gaf s ILE 63 CO -0.00 -0.63 -0.11 -0.83 0.24 0.00 0.00 174.94 173.61 3gaf s GLY 64 N -3.22 0.73 0.07 6.27 0.00 -1.26 -0.01 107.32 109.91 3gaf s GLY 64 Ca 0.20 -0.35 0.02 0.00 0.00 0.00 0.00 44.72 44.60 3gaf s GLY 64 CO 0.05 0.17 -0.08 1.08 0.00 0.00 0.00 173.10 174.32 3gaf s LEU 65 N 0.70 2.37 0.22 0.66 1.43 0.39 -4.55 118.68 119.90 3gaf s LEU 65 Ca -0.14 -0.76 -0.30 0.00 -1.03 0.00 0.00 54.13 51.90 3gaf s LEU 65 Cb -0.16 -0.18 -0.09 0.00 0.03 0.00 0.00 46.19 45.80 3gaf s LEU 65 CO 0.03 -0.30 1.34 -0.70 0.23 0.00 0.00 176.35 176.95 3gaf s GLU 66 N -2.58 4.36 -0.23 1.70 2.12 -1.26 -2.37 118.70 120.44 3gaf s GLU 66 Ca 0.01 2.11 -0.04 0.00 0.36 0.00 0.00 54.97 57.41 3gaf s GLU 66 Cb -0.03 -3.17 0.12 0.00 0.26 0.00 0.00 34.13 31.31 3gaf s GLU 66 CO -0.01 -0.28 0.41 0.00 -0.54 0.00 0.00 175.26 174.84 3gaf s ASN 68 N 2.60 6.46 0.46 0.00 3.84 -1.26 -3.09 114.94 123.96 3gaf s ASN 68 Ca 0.08 0.02 0.31 0.00 0.21 0.00 0.00 52.86 53.49 3gaf s ASN 68 Cb -0.14 -2.44 1.48 0.00 -0.55 0.00 0.00 41.25 39.61 3gaf s ASN 68 CO -0.15 -1.04 1.95 -0.37 -2.79 0.00 0.00 177.10 174.69 3gaf h VAL 69 N 6.06 0.00 -0.05 -5.21 -1.51 -1.96 -0.89 116.25 112.68 3gaf h VAL 69 Ca -0.24 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 3gaf h VAL 69 Cb 1.08 1.06 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 3gaf h VAL 69 CO 1.02 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.71 3gaf n THR 70 N -2.71 0.05 -3.93 7.19 -2.24 -1.26 -4.67 114.28 106.71 3gaf n THR 70 Ca -0.00 -0.18 -0.35 0.00 -2.27 0.00 0.00 64.05 61.24 3gaf n THR 70 Cb 0.18 0.14 -0.14 0.00 -2.10 0.00 0.00 70.33 68.41 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 -1.83 4.36 0.23 3.42 -1.08 -0.34 -5.02 116.67 116.41 3gaf s ASP 71 Ca 0.37 -0.37 -0.07 0.00 -0.52 0.00 0.00 52.55 51.97 3gaf s ASP 71 Cb 0.19 -1.75 0.22 0.00 -1.46 0.00 0.00 42.92 40.12 3gaf s ASP 71 CO 0.31 -0.01 1.84 -0.08 0.52 0.00 0.00 175.17 177.74 3gaf h GLU 72 N 8.06 1.22 -0.22 4.34 4.57 -1.87 -1.20 114.58 129.49 3gaf h GLU 72 Ca -0.41 -0.16 -0.12 0.00 -1.18 0.00 0.00 59.36 57.49 3gaf h GLU 72 Cb 1.16 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 3gaf h GLU 72 CO 0.60 0.92 -0.38 1.96 -1.18 0.00 0.00 179.01 180.93 3gaf h GLN 73 N 1.22 0.49 -0.44 1.92 4.20 -1.95 -0.79 115.11 119.76 3gaf h GLN 73 Ca 0.30 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 3gaf h GLN 73 Cb 0.08 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 3gaf h GLN 73 CO -0.04 0.80 0.24 0.45 -0.67 0.00 0.00 178.83 179.61 3gaf h HIS 74 N 0.41 0.59 0.07 2.96 3.86 -1.68 -0.54 115.15 120.82 3gaf h HIS 74 Ca 0.04 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3gaf h HIS 74 Cb 0.85 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 29.13 3gaf h HIS 74 CO 0.03 0.45 -0.04 0.00 0.86 0.00 0.00 177.93 179.22 3gaf h ARG 75 N 0.57 -0.10 -0.74 2.45 3.08 -0.78 -1.99 114.38 116.88 3gaf h ARG 75 Ca 0.15 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 3gaf h ARG 75 Cb 0.04 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 3gaf h ARG 75 CO -0.03 -0.07 0.41 0.93 -1.07 0.00 0.00 179.97 180.15 3gaf h GLU 76 N -0.11 1.01 -0.97 0.04 5.08 -1.12 -2.47 114.58 116.05 3gaf h GLU 76 Ca -0.00 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3gaf h GLU 76 Cb 0.09 -0.21 -0.06 0.00 0.50 0.00 0.00 28.75 29.08 3gaf h GLU 76 CO 0.00 0.74 0.63 0.00 -1.00 0.00 0.00 179.01 179.38 3gaf h ALA 77 N 1.43 1.40 -0.34 3.43 0.00 -0.79 -2.21 119.26 122.18 3gaf h ALA 77 Ca 0.26 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3gaf h ALA 77 Cb 0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3gaf h ALA 77 CO -0.04 0.49 0.13 0.28 0.00 0.00 0.00 179.25 180.10 3gaf h VAL 78 N 1.19 1.19 -0.35 0.00 2.07 -0.90 -1.31 116.25 118.15 3gaf h VAL 78 Ca 0.40 -0.61 0.01 0.00 0.82 0.00 0.00 66.70 67.32 3gaf h VAL 78 Cb 0.07 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 3gaf h VAL 78 CO -0.14 0.21 0.22 0.40 0.02 0.00 0.00 177.57 178.28 3gaf h ILE 79 N 0.40 1.06 -0.23 4.57 1.08 -1.35 -0.58 117.51 122.46 3gaf h ILE 79 Ca 0.11 -0.15 -0.01 0.00 -0.39 0.00 0.00 64.86 64.42 3gaf h ILE 79 Cb 0.21 0.58 -0.01 0.00 -3.07 0.00 0.00 36.82 34.53 3gaf h ILE 79 CO -0.01 0.08 0.12 0.50 -0.69 0.00 0.00 178.15 178.15 3gaf h LYS 80 N 0.44 0.32 -0.90 2.37 3.64 -1.36 -1.79 116.57 119.29 3gaf h LYS 80 Ca 0.13 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3gaf h LYS 80 Cb -0.03 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 3gaf h LYS 80 CO -0.04 0.32 0.53 0.00 -2.27 0.00 0.00 179.45 177.98 3gaf h ALA 81 N 0.99 1.24 -0.24 5.00 0.00 -1.08 -0.13 119.26 125.04 3gaf h ALA 81 Ca 0.08 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gaf h ALA 81 Cb 0.09 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3gaf h ALA 81 CO -0.01 0.64 0.15 0.00 0.00 0.00 0.00 179.25 180.03 3gaf h ALA 82 N 1.34 0.30 -0.31 0.00 0.00 -0.83 -1.68 119.26 118.07 3gaf h ALA 82 Ca 0.32 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 3gaf h ALA 82 Cb -0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3gaf h ALA 82 CO -0.06 -0.20 -0.14 -0.07 0.00 0.00 0.00 179.25 178.78 3gaf h LEU 83 N 0.30 0.67 -0.30 0.00 3.38 -1.06 0.13 115.31 118.42 3gaf h LEU 83 Ca 0.09 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 3gaf h LEU 83 Cb 0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3gaf h LEU 83 CO -0.02 0.92 0.14 0.44 0.09 0.00 0.00 178.44 180.01 3gaf h ASP 84 N 0.41 0.40 -0.07 -0.43 3.32 -1.03 0.24 116.42 119.25 3gaf h ASP 84 Ca 0.07 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 56.92 3gaf h ASP 84 Cb 0.67 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3gaf h ASP 84 CO 0.04 0.43 -0.17 -0.61 -1.72 0.00 0.00 179.24 177.22 3gaf h GLN 85 N 0.35 0.25 -0.00 3.56 5.75 -1.31 -3.40 115.11 120.30 3gaf h GLN 85 Ca 0.10 -0.17 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 3gaf h GLN 85 Cb 0.14 0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.72 3gaf h GLN 85 CO -0.01 0.77 -0.00 1.19 -2.65 0.00 0.00 178.83 178.12 3gaf n PHE 86 N -4.58 0.00 0.00 3.99 3.72 0.03 -5.03 117.46 115.59 3gaf n PHE 86 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 3gaf n PHE 86 Cb 0.40 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 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 0.18 2.67 3.73 1.37 0.00 0.83 -4.94 105.19 109.03 3gaf n GLY 87 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.13 1.13 -0.07 1.61 -2.85 -1.26 -4.95 119.74 113.23 3gaf s LYS 88 Ca 0.00 -0.61 0.01 0.00 -1.00 0.00 0.00 55.97 54.37 3gaf s LYS 88 Cb 0.00 0.40 0.02 0.00 -2.06 0.00 0.00 37.83 36.19 3gaf s LYS 88 CO 0.00 -0.52 -0.06 0.42 0.10 0.00 0.00 175.35 175.29 3gaf s ILE 89 N -3.24 0.75 0.00 3.79 1.01 -1.26 -4.57 121.20 117.68 3gaf s ILE 89 Ca 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.56 3gaf s ILE 89 Cb -0.01 -0.76 0.00 0.00 0.01 0.00 0.00 42.46 41.70 3gaf s ILE 89 CO 0.01 0.29 0.00 0.35 0.00 0.00 0.00 174.94 175.59 3gaf n THR 90 N 4.31 0.00 -4.37 2.92 -2.24 -0.46 -3.53 114.28 110.91 3gaf n THR 90 Ca -0.20 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.38 3gaf n THR 90 Cb 0.51 0.24 -0.15 0.00 -2.10 0.00 0.00 70.33 68.83 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 -1.52 0.76 -0.09 2.28 1.01 -0.41 -0.94 120.40 121.49 3gaf s VAL 91 Ca 0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 3gaf s VAL 91 Cb 0.00 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.73 3gaf s VAL 91 CO 0.00 0.24 -0.06 -0.22 0.00 0.00 0.00 175.10 175.05 3gaf s LEU 92 N 0.17 1.14 -0.35 3.92 2.96 0.12 -1.20 118.68 125.45 3gaf s LEU 92 Ca -0.03 -0.24 -0.07 0.00 -0.22 0.00 0.00 54.13 53.57 3gaf s LEU 92 Cb -0.08 -0.71 0.04 0.00 0.50 0.00 0.00 46.19 45.94 3gaf s LEU 92 CO 0.00 -0.11 0.14 -0.69 -1.32 0.00 0.00 176.35 174.38 3gaf s VAL 93 N 1.53 3.94 -0.78 1.68 1.01 0.13 -0.10 120.40 127.81 3gaf s VAL 93 Ca 0.00 -1.13 -0.19 0.00 0.00 0.00 0.00 61.98 60.67 3gaf s VAL 93 Cb -0.13 -3.26 0.13 0.00 0.00 0.00 0.00 36.38 33.12 3gaf s VAL 93 CO -0.05 -0.23 0.93 0.20 0.00 0.00 0.00 175.10 175.95 3gaf s ASN 94 N 1.50 6.46 -0.05 3.32 0.01 0.11 -1.78 114.94 124.52 3gaf s ASN 94 Ca -0.00 -1.82 0.12 0.00 -0.71 0.00 0.00 52.86 50.45 3gaf s ASN 94 Cb -0.20 -2.35 -0.19 0.00 0.41 0.00 0.00 41.25 38.93 3gaf s ASN 94 CO 0.03 -1.06 0.22 -3.20 -1.51 0.00 0.00 177.10 171.58 3gaf n ASN 95 N 6.27 2.02 -4.77 -1.22 5.15 -1.25 -1.33 115.26 120.12 3gaf n ASN 95 Ca 0.09 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.68 3gaf n ASN 95 Cb 0.46 1.38 -0.01 0.00 -0.53 0.00 0.00 39.78 41.08 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 -2.74 3.23 0.00 5.20 0.00 -1.22 -4.83 121.76 121.41 3gaf s ALA 96 Ca -0.05 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.04 3gaf s ALA 96 Cb 0.07 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.74 3gaf s ALA 96 CO 0.53 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 176.00 3gaf n GLY 97 N 0.68 -1.45 0.00 0.00 0.00 -1.26 -4.86 105.19 98.30 3gaf n GLY 97 Ca 0.04 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.13 -0.49 0.00 -0.02 0.00 -1.26 -4.98 105.19 98.31 3gaf n GLY 98 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 0.28 0.00 -0.02 0.00 -1.26 -4.78 105.19 99.41 3gaf n GLY 99 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.06 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 0.25 2.71 3.77 -0.02 0.00 -1.26 -5.08 105.19 105.57 3gaf n GLY 100 Ca 0.00 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 3gaf n GLY 100 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3gaf s PRO 101 N 1.55 4.11 -0.05 1.61 0.02 -1.26 -4.53 135.00 136.46 3gaf s PRO 101 Ca 0.00 2.36 -0.09 0.00 0.02 0.00 0.00 61.00 63.30 3gaf s PRO 101 Cb 0.00 -2.92 0.02 0.00 0.02 0.00 0.00 34.50 31.61 3gaf s PRO 101 CO 0.00 -0.45 0.21 0.15 -0.33 0.00 0.00 177.00 176.57 3gaf s LYS 102 N -2.07 0.39 0.67 5.54 -0.14 -0.33 -5.03 119.74 118.77 3gaf s LYS 102 Ca 0.53 0.01 -0.16 0.00 -1.36 0.00 0.00 55.97 54.99 3gaf s LYS 102 Cb -0.42 0.17 0.01 0.00 -1.68 0.00 0.00 37.83 35.91 3gaf s LYS 102 CO 0.56 -0.08 1.18 -1.25 -0.76 0.00 0.00 175.35 175.00 3gaf s PRO 103 N -0.57 2.56 0.51 -1.68 0.04 -1.26 -4.32 135.00 130.28 3gaf s PRO 103 Ca -0.07 1.68 0.20 0.00 0.04 0.00 0.00 61.00 62.85 3gaf s PRO 103 Cb -0.04 -1.89 1.28 0.00 0.04 0.00 0.00 34.50 33.88 3gaf s PRO 103 CO 0.01 -1.49 2.04 0.35 0.04 0.00 0.00 177.00 177.95 3gaf h PHE 104 N 0.15 0.09 -0.50 0.56 3.57 -2.01 -1.98 116.94 116.82 3gaf h PHE 104 Ca -0.48 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 60.87 3gaf h PHE 104 Cb 1.28 -0.03 -0.09 0.00 2.79 0.00 0.00 35.95 39.90 3gaf h PHE 104 CO 0.49 0.04 0.19 -0.40 -2.23 0.00 0.00 178.31 176.41 3gaf n ASP 105 N -4.45 3.87 -4.62 0.41 5.68 -1.26 -4.97 116.55 111.20 3gaf n ASP 105 Ca 0.06 -2.81 -0.37 0.00 -0.50 0.00 0.00 54.79 51.16 3gaf n ASP 105 Cb 0.39 -0.67 0.06 0.00 -1.14 0.00 0.00 41.12 39.76 3gaf n ASP 105 CO 0.00 0.00 0.00 1.15 -1.33 0.00 0.00 177.20 177.02 3gaf n MET 106 N -0.03 0.85 -1.55 0.11 0.00 -0.75 -4.95 117.12 110.81 3gaf n MET 106 Ca 0.28 0.34 -0.34 0.00 0.00 0.00 0.00 57.70 57.97 3gaf n MET 106 Cb 1.06 -2.19 0.08 0.00 0.00 0.00 0.00 33.22 32.16 3gaf n MET 106 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3gaf s PRO 107 N -2.86 2.35 0.42 3.17 0.04 -1.26 -4.86 135.00 132.00 3gaf s PRO 107 Ca 0.77 1.68 0.10 0.00 0.04 0.00 0.00 61.00 63.59 3gaf s PRO 107 Cb -0.40 -1.87 0.90 0.00 0.04 0.00 0.00 34.50 33.17 3gaf s PRO 107 CO 0.46 -1.65 2.00 0.52 0.04 0.00 0.00 177.00 178.37 3gaf h MET 108 N -0.13 0.29 -0.51 4.56 2.86 -2.00 -1.24 114.93 118.76 3gaf h MET 108 Ca -0.48 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.13 3gaf h MET 108 Cb 1.28 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.87 3gaf h MET 108 CO 0.51 0.30 0.33 0.66 1.06 0.00 0.00 176.91 179.76 3gaf h SER 109 N 0.28 0.59 -0.04 1.22 4.64 -1.99 -0.63 113.55 117.61 3gaf h SER 109 Ca 0.07 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 3gaf h SER 109 Cb 0.17 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3gaf h SER 109 CO 0.00 0.43 -0.03 0.44 -0.87 0.00 0.00 176.83 176.81 3gaf h ASP 110 N 0.69 0.10 -0.19 4.97 3.32 -1.59 -2.36 116.42 121.36 3gaf h ASP 110 Ca 0.18 -0.43 0.05 0.00 0.02 0.00 0.00 57.03 56.85 3gaf h ASP 110 Cb -0.06 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.41 3gaf h ASP 110 CO -0.04 0.51 -0.12 0.15 -1.72 0.00 0.00 179.24 178.02 3gaf h PHE 111 N -0.31 -0.30 -0.03 4.55 3.57 -1.18 -2.59 116.94 120.65 3gaf h PHE 111 Ca 0.01 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 3gaf h PHE 111 Cb 0.47 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 3gaf h PHE 111 CO 0.07 -0.19 -0.14 0.93 -2.23 0.00 0.00 178.31 176.76 3gaf h GLU 112 N -0.12 0.05 -0.19 1.11 5.08 -1.22 -3.02 114.58 116.27 3gaf h GLU 112 Ca 0.11 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 3gaf h GLU 112 Cb 0.28 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3gaf h GLU 112 CO -0.27 0.19 -0.15 2.35 -1.00 0.00 0.00 179.01 180.14 3gaf h TRP 113 N 0.05 0.33 -0.39 4.33 2.91 -1.01 -1.70 115.95 120.48 3gaf h TRP 113 Ca 0.01 -0.04 -0.09 0.00 1.13 0.00 0.00 58.89 59.89 3gaf h TRP 113 Cb 0.28 -0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 28.82 3gaf h TRP 113 CO 0.00 0.46 -0.13 0.00 -1.03 0.00 0.00 178.44 177.73 3gaf h ALA 114 N 1.56 1.04 -0.18 2.65 0.00 -1.45 -0.91 119.26 121.96 3gaf h ALA 114 Ca 0.06 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 3gaf h ALA 114 Cb 0.44 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3gaf h ALA 114 CO 0.03 0.58 -0.18 0.74 0.00 0.00 0.00 179.25 180.42 3gaf h PHE 115 N 0.63 0.53 -0.89 0.00 0.04 -1.57 0.26 116.94 115.94 3gaf h PHE 115 Ca 0.11 -0.16 0.01 0.00 2.80 0.00 0.00 57.97 60.73 3gaf h PHE 115 Cb 0.59 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.58 3gaf h PHE 115 CO 0.03 0.81 0.59 0.87 -0.60 0.00 0.00 178.31 180.01 3gaf h LYS 116 N 0.10 1.17 0.10 1.51 1.79 -1.11 0.21 116.57 120.33 3gaf h LYS 116 Ca 0.03 -0.07 -0.21 0.00 -2.18 0.00 0.00 60.65 58.22 3gaf h LYS 116 Cb 0.72 -0.26 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 3gaf h LYS 116 CO 0.04 0.77 -1.02 1.25 -1.08 0.00 0.00 179.45 179.42 3gaf h LEU 117 N 1.20 0.32 0.04 2.94 5.85 -1.21 -2.51 115.31 121.94 3gaf h LEU 117 Ca 0.33 -0.87 -0.27 0.00 0.84 0.00 0.00 57.88 57.91 3gaf h LEU 117 Cb -0.13 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 3gaf h LEU 117 CO -0.07 1.45 -1.43 0.78 -0.34 0.00 0.00 178.44 178.83 3gaf h ASN 118 N -0.49 0.14 0.00 1.25 2.35 -0.97 -3.41 115.58 114.46 3gaf h ASN 118 Ca -0.22 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 3gaf h ASN 118 Cb 1.58 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.90 3gaf h ASN 118 CO 0.05 1.17 -0.33 -0.11 -1.65 0.00 0.00 177.43 176.57 3gaf n LEU 119 N -3.29 1.17 -0.15 1.61 7.94 0.18 -4.52 117.00 119.95 3gaf n LEU 119 Ca -0.12 0.18 0.06 0.00 -1.11 0.00 0.00 56.01 55.02 3gaf n LEU 119 Cb 1.01 -0.44 0.37 0.00 0.53 0.00 0.00 43.42 44.89 3gaf n LEU 119 CO 0.47 -0.55 1.21 -0.26 -1.11 0.00 0.00 177.39 177.15 3gaf h PHE 120 N -0.33 0.72 -0.34 1.96 0.04 -0.80 -1.31 116.94 116.88 3gaf h PHE 120 Ca 0.00 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.75 3gaf h PHE 120 Cb 0.33 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 3gaf h PHE 120 CO -0.14 0.39 0.05 0.66 -0.60 0.00 0.00 178.31 178.67 3gaf h SER 121 N 0.72 0.54 1.07 2.17 4.64 -1.66 -2.08 113.55 118.94 3gaf h SER 121 Ca 0.29 -0.27 -0.19 0.00 -0.47 0.00 0.00 61.79 61.15 3gaf h SER 121 Cb 0.22 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 3gaf h SER 121 CO -0.09 0.67 -0.94 0.17 -0.87 0.00 0.00 176.83 175.77 3gaf h LEU 122 N 0.39 0.00 0.71 5.97 8.10 -1.65 -2.50 115.31 126.33 3gaf h LEU 122 Ca 0.10 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 58.06 3gaf h LEU 122 Cb 0.36 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.59 3gaf h LEU 122 CO 0.01 0.91 -0.39 0.15 -4.11 0.00 0.00 178.44 175.01 3gaf h PHE 123 N 0.00 -1.01 -0.56 0.17 3.57 -1.26 -2.24 116.94 115.60 3gaf h PHE 123 Ca -0.02 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.58 3gaf h PHE 123 Cb 1.71 0.35 -0.10 0.00 2.79 0.00 0.00 35.95 40.70 3gaf h PHE 123 CO 0.00 -0.60 -0.05 -0.09 -2.23 0.00 0.00 178.31 175.34 3gaf h ARG 124 N -1.01 0.07 -0.11 1.11 9.65 -1.40 -0.95 114.38 121.73 3gaf h ARG 124 Ca -0.09 -0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.72 3gaf h ARG 124 Cb 0.80 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.35 3gaf h ARG 124 CO 0.13 0.05 -0.22 1.25 2.80 0.00 0.00 179.97 183.97 3gaf h LEU 125 N 0.07 0.18 -0.30 3.80 5.85 -1.46 0.37 115.31 123.83 3gaf h LEU 125 Ca 0.28 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 3gaf h LEU 125 Cb 0.44 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 3gaf h LEU 125 CO -0.51 0.42 0.08 0.28 -0.34 0.00 0.00 178.44 178.37 3gaf h SER 126 N 0.18 0.45 -0.71 1.25 0.02 -0.77 -1.66 113.55 112.31 3gaf h SER 126 Ca 0.03 -0.22 0.05 0.00 -0.84 0.00 0.00 61.79 60.81 3gaf h SER 126 Cb 0.49 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.86 3gaf h SER 126 CO 0.03 0.55 0.43 1.56 -1.14 0.00 0.00 176.83 178.26 3gaf h GLN 127 N 0.32 0.78 -0.46 3.45 4.20 -0.14 -0.89 115.11 122.37 3gaf h GLN 127 Ca 0.10 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 3gaf h GLN 127 Cb 0.27 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3gaf h GLN 127 CO -0.00 0.52 0.10 -0.07 -0.67 0.00 0.00 178.83 178.70 3gaf h LEU 128 N 0.81 0.71 -0.04 1.46 3.38 -0.90 -3.29 115.31 117.43 3gaf h LEU 128 Ca 0.30 -0.24 -0.23 0.00 0.09 0.00 0.00 57.88 57.80 3gaf h LEU 128 Cb 0.10 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3gaf h LEU 128 CO -0.15 0.77 -1.06 0.00 0.09 0.00 0.00 178.44 178.10 3gaf h ALA 129 N 0.96 0.30 -0.41 1.53 0.00 -1.15 -3.39 119.26 117.11 3gaf h ALA 129 Ca 0.14 -0.83 0.07 0.00 0.00 0.00 0.00 54.91 54.29 3gaf h ALA 129 Cb 0.35 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.99 3gaf h ALA 129 CO 0.00 1.02 -0.42 0.00 0.00 0.00 0.00 179.25 179.85 3gaf h ALA 130 N 0.82 -0.41 -0.72 0.00 0.00 -1.23 -1.43 119.26 116.28 3gaf h ALA 130 Ca -0.07 0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.97 3gaf h ALA 130 Cb 1.76 0.88 -0.05 0.00 0.00 0.00 0.00 17.79 20.38 3gaf h ALA 130 CO 0.16 -0.85 0.48 -1.35 0.00 0.00 0.00 179.25 177.69 3gaf h PRO 131 N -0.32 0.72 -0.44 0.00 0.11 -1.75 0.05 132.00 130.37 3gaf h PRO 131 Ca 0.14 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.10 3gaf h PRO 131 Cb 0.58 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 3gaf h PRO 131 CO -0.58 0.48 -0.17 0.45 -0.21 0.00 0.00 178.00 177.97 3gaf h HIS 132 N 0.74 1.02 -0.64 0.65 3.86 -1.64 -2.00 115.15 117.14 3gaf h HIS 132 Ca 0.32 -0.24 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 3gaf h HIS 132 Cb 0.28 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.48 3gaf h HIS 132 CO -0.00 1.02 0.34 0.52 0.86 0.00 0.00 177.93 180.67 3gaf h MET 133 N 0.72 0.90 -0.33 2.45 2.86 -0.59 -0.95 114.93 119.99 3gaf h MET 133 Ca 0.10 -0.11 0.07 0.00 -2.06 0.00 0.00 59.70 57.70 3gaf h MET 133 Cb 0.73 -0.17 -0.07 0.00 0.06 0.00 0.00 31.60 32.15 3gaf h MET 133 CO 0.06 0.69 -0.11 0.37 1.06 0.00 0.00 176.91 178.98 3gaf h GLN 134 N 0.88 -0.04 -0.87 1.72 4.15 -0.90 0.73 115.11 120.78 3gaf h GLN 134 Ca 0.22 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.72 3gaf h GLN 134 Cb 0.06 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.70 3gaf h GLN 134 CO -0.03 -0.03 0.53 0.87 -1.93 0.00 0.00 178.83 178.24 3gaf h LYS 135 N -0.05 0.92 0.00 1.69 1.57 -1.00 0.06 116.57 119.76 3gaf h LYS 135 Ca 0.16 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3gaf h LYS 135 Cb 0.29 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3gaf h LYS 135 CO -0.36 0.61 0.00 0.00 -0.57 0.00 0.00 179.45 179.13 3gaf n ALA 136 N -2.36 2.37 -1.56 3.86 0.00 -0.39 -4.85 120.51 117.57 3gaf n ALA 136 Ca 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 53.44 53.41 3gaf n ALA 136 Cb 0.20 -1.37 -0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 0.46 0.39 0.00 0.00 0.00 0.01 -4.95 105.19 101.10 3gaf n GLY 137 Ca 0.17 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.86 4.10 3.81 -0.02 0.00 0.18 -4.97 105.19 106.43 3gaf n GLY 138 Ca -0.01 -1.61 -0.04 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.02 -0.04 -0.02 0.00 -0.85 -4.78 107.32 101.61 3gaf s GLY 139 Ca 0.00 -0.19 0.02 0.00 0.00 0.00 0.00 44.72 44.55 3gaf s GLY 139 CO 0.00 0.72 -0.10 0.00 0.00 0.00 0.00 173.10 173.72 3gaf s ALA 140 N -2.84 1.00 -0.13 3.20 0.00 -0.11 -1.44 121.76 121.44 3gaf s ALA 140 Ca 0.16 -0.32 -0.04 0.00 0.00 0.00 0.00 51.96 51.76 3gaf s ALA 140 Cb -0.03 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 3gaf s ALA 140 CO 0.05 0.11 0.01 0.42 0.00 0.00 0.00 175.76 176.35 3gaf s ILE 141 N 0.50 4.36 -0.11 0.00 1.01 -0.17 -0.70 121.20 126.09 3gaf s ILE 141 Ca -0.09 -0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.36 3gaf s ILE 141 Cb -0.13 -2.89 0.02 0.00 0.01 0.00 0.00 42.46 39.48 3gaf s ILE 141 CO 0.02 0.54 -0.11 -0.22 0.00 0.00 0.00 174.94 175.17 3gaf s LEU 142 N -0.27 1.43 -0.22 2.97 2.96 0.86 -2.34 118.68 124.06 3gaf s LEU 142 Ca 0.06 -0.34 -0.11 0.00 -0.22 0.00 0.00 54.13 53.52 3gaf s LEU 142 Cb -0.12 -0.92 -0.05 0.00 0.50 0.00 0.00 46.19 45.60 3gaf s LEU 142 CO 0.02 -0.06 0.17 0.20 -1.32 0.00 0.00 176.35 175.36 3gaf s ASN 143 N 1.35 6.18 -0.53 3.68 0.01 -0.33 0.07 114.94 125.38 3gaf s ASN 143 Ca -0.01 0.20 -0.21 0.00 -0.71 0.00 0.00 52.86 52.13 3gaf s ASN 143 Cb -0.14 -2.11 0.05 0.00 0.41 0.00 0.00 41.25 39.47 3gaf s ASN 143 CO -0.05 0.10 0.76 -0.63 -1.51 0.00 0.00 177.10 175.77 3gaf s ILE 144 N 0.80 4.67 0.00 0.60 -1.09 -0.44 -0.55 121.20 125.19 3gaf s ILE 144 Ca 0.09 -0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.30 3gaf s ILE 144 Cb -0.13 -4.41 0.00 0.00 -1.58 0.00 0.00 42.46 36.35 3gaf s ILE 144 CO 0.02 -0.95 0.00 -0.24 -1.23 0.00 0.00 174.94 172.54 3gaf n SER 145 N 6.72 0.00 -3.68 3.58 2.88 0.64 -4.84 113.62 118.92 3gaf n SER 145 Ca -0.03 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.37 3gaf n SER 145 Cb 0.46 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.85 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 -1.00 -0.30 0.58 -3.46 0.15 -1.26 -4.36 113.70 104.05 3gaf s SER 146 Ca 0.00 0.15 0.35 0.00 0.70 0.00 0.00 55.95 57.14 3gaf s SER 146 Cb 0.00 0.39 1.81 0.00 -1.71 0.00 0.00 66.02 66.52 3gaf s SER 146 CO 0.00 -0.56 2.18 0.24 1.20 0.00 0.00 173.24 176.30 3gaf h MET 147 N 3.37 0.00 -0.15 5.44 2.86 -1.85 -1.31 114.93 123.29 3gaf h MET 147 Ca -0.30 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.39 3gaf h MET 147 Cb 1.18 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 3gaf h MET 147 CO 0.41 0.04 0.33 0.00 1.06 0.00 0.00 176.91 178.76 3gaf h ALA 148 N 1.96 1.62 0.00 6.32 0.00 -1.94 0.48 119.26 127.70 3gaf h ALA 148 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3gaf h ALA 148 Cb 0.22 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3gaf h ALA 148 CO 0.01 -0.41 -0.16 0.78 0.00 0.00 0.00 179.25 179.47 3gaf h GLY 149 N 0.00 0.00 0.00 0.00 0.00 -1.42 -3.26 103.07 98.39 3gaf h GLY 149 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.26 3gaf h GLY 149 CO -0.00 0.00 -1.60 1.18 0.00 0.00 0.00 176.54 176.12 3gaf n GLU 150 N -4.00 2.20 -2.54 4.80 1.02 -0.36 -4.28 120.64 117.46 3gaf n GLU 150 Ca -0.02 -0.02 -0.24 0.00 -0.02 0.00 0.00 57.16 56.86 3gaf n GLU 150 Cb 0.24 -1.23 0.04 0.00 -0.02 0.00 0.00 31.44 30.47 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 -3.97 5.39 -0.03 1.62 0.01 0.02 -5.11 114.94 112.87 3gaf s ASN 151 Ca -0.04 0.38 0.04 0.00 -0.71 0.00 0.00 52.86 52.53 3gaf s ASN 151 Cb 0.03 -1.33 -0.00 0.00 0.41 0.00 0.00 41.25 40.36 3gaf s ASN 151 CO 0.38 -1.12 -0.14 0.42 -1.51 0.00 0.00 177.10 175.12 3gaf s THR 152 N -2.90 1.20 0.20 1.60 -4.23 -1.26 -4.78 115.64 105.47 3gaf s THR 152 Ca 0.55 -0.59 -0.16 0.00 -1.18 0.00 0.00 61.69 60.30 3gaf s THR 152 Cb -0.10 -1.03 0.02 0.00 1.34 0.00 0.00 72.50 72.72 3gaf s THR 152 CO 0.42 0.35 0.50 0.20 -0.54 0.00 0.00 174.62 175.55 3gaf s ASN 153 N 0.05 -0.21 0.52 3.99 0.01 -1.26 -5.13 114.94 112.91 3gaf s ASN 153 Ca -0.03 -0.56 -0.21 0.00 -0.71 0.00 0.00 52.86 51.35 3gaf s ASN 153 Cb -0.10 0.57 -0.06 0.00 0.41 0.00 0.00 41.25 42.07 3gaf s ASN 153 CO 0.01 -1.06 1.24 0.54 -1.51 0.00 0.00 177.10 176.32 3gaf s VAL 154 N -3.90 2.66 -1.42 1.60 0.11 -1.26 -3.77 120.40 114.41 3gaf s VAL 154 Ca 0.11 0.47 0.00 0.00 -2.93 0.00 0.00 61.98 59.63 3gaf s VAL 154 Cb -0.01 -3.22 0.00 0.00 -1.53 0.00 0.00 36.38 31.62 3gaf s VAL 154 CO -0.01 -0.03 0.00 0.54 -3.33 0.00 0.00 175.10 172.27 3gaf n ARG 155 N -0.98 -1.13 -0.02 1.54 1.74 -1.26 -4.89 116.66 111.66 3gaf n ARG 155 Ca 0.10 0.86 0.02 0.00 -0.77 0.00 0.00 57.85 58.06 3gaf n ARG 155 Cb 0.48 -5.11 0.03 0.00 -1.02 0.00 0.00 32.46 26.84 3gaf n ARG 155 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3gaf n MET 156 N -2.50 2.73 -0.25 5.56 2.81 -1.25 -1.18 117.12 123.05 3gaf n MET 156 Ca -0.17 -1.71 0.05 0.00 -1.81 0.00 0.00 57.70 54.07 3gaf n MET 156 Cb 0.57 -1.10 0.18 0.00 -0.71 0.00 0.00 33.22 32.16 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 0.11 0.92 0.07 3.04 0.00 -1.85 0.63 119.26 122.18 3gaf h ALA 157 Ca 0.00 0.18 -0.30 0.00 0.00 0.00 0.00 54.91 54.79 3gaf h ALA 157 Cb 0.60 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3gaf h ALA 157 CO 0.00 -0.35 -1.64 0.66 0.00 0.00 0.00 179.25 177.92 3gaf h SER 158 N 0.24 0.22 -0.11 0.00 4.64 -1.90 -3.11 113.55 113.52 3gaf h SER 158 Ca 0.41 -0.74 -0.05 0.00 -0.47 0.00 0.00 61.79 60.95 3gaf h SER 158 Cb 0.71 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3gaf h SER 158 CO -0.53 1.68 -0.11 0.22 -0.87 0.00 0.00 176.83 177.23 3gaf h TYR 159 N -0.45 0.33 0.12 4.77 3.20 -1.75 -1.85 116.97 121.33 3gaf h TYR 159 Ca -0.39 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.38 3gaf h TYR 159 Cb 1.68 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.89 3gaf h TYR 159 CO 0.09 0.68 -0.06 0.78 -1.64 0.00 0.00 178.16 178.01 3gaf h GLY 160 N -0.12 -0.18 1.51 1.82 0.00 0.07 -2.44 103.07 103.74 3gaf h GLY 160 Ca 0.02 0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 3gaf h GLY 160 CO 0.03 -0.06 0.22 1.48 0.00 0.00 0.00 176.54 178.20 3gaf h SER 161 N -0.36 0.57 -0.48 0.19 4.64 -1.60 -0.87 113.55 115.64 3gaf h SER 161 Ca -0.02 -0.05 -0.07 0.00 -0.47 0.00 0.00 61.79 61.19 3gaf h SER 161 Cb 0.29 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 3gaf h SER 161 CO 0.03 0.49 0.04 0.77 -0.87 0.00 0.00 176.83 177.29 3gaf h SER 162 N 0.64 0.79 0.30 4.97 4.64 -1.26 -1.02 113.55 122.62 3gaf h SER 162 Ca 0.16 -0.28 -0.13 0.00 -0.47 0.00 0.00 61.79 61.07 3gaf h SER 162 Cb 0.07 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 3gaf h SER 162 CO -0.02 0.88 -0.54 0.11 -0.87 0.00 0.00 176.83 176.39 3gaf h LYS 163 N 0.68 0.26 -0.46 4.77 1.79 -1.25 -1.81 116.57 120.55 3gaf h LYS 163 Ca 0.14 -0.16 -0.13 0.00 -2.18 0.00 0.00 60.65 58.33 3gaf h LYS 163 Cb 0.45 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 3gaf h LYS 163 CO 0.02 0.73 -0.21 0.00 -1.08 0.00 0.00 179.45 178.91 3gaf h ALA 164 N 1.24 0.76 -0.74 3.86 0.00 -1.00 -1.89 119.26 121.49 3gaf h ALA 164 Ca 0.00 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.57 3gaf h ALA 164 Cb 1.01 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 3gaf h ALA 164 CO 0.08 0.66 0.46 0.00 0.00 0.00 0.00 179.25 180.45 3gaf h ALA 165 N 0.95 0.99 -0.81 0.00 0.00 -1.04 -2.30 119.26 117.05 3gaf h ALA 165 Ca 0.11 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3gaf h ALA 165 Cb 0.77 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3gaf h ALA 165 CO 0.06 0.22 0.53 0.28 0.00 0.00 0.00 179.25 180.34 3gaf h VAL 166 N 0.87 1.18 -0.31 0.00 2.07 -1.15 0.46 116.25 119.38 3gaf h VAL 166 Ca 0.31 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3gaf h VAL 166 Cb 0.07 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 3gaf h VAL 166 CO -0.13 0.20 0.14 0.78 0.02 0.00 0.00 177.57 178.57 3gaf h ASN 167 N 1.07 0.42 0.59 0.57 4.21 -1.15 -2.03 115.58 119.27 3gaf h ASN 167 Ca 0.31 -0.15 -0.22 0.00 1.21 0.00 0.00 56.30 57.45 3gaf h ASN 167 Cb -0.08 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.01 3gaf h ASN 167 CO -0.08 0.45 -0.97 -0.74 -1.29 0.00 0.00 177.43 174.79 3gaf h HIS 168 N 0.36 0.36 -0.55 1.19 2.76 -1.31 -2.70 115.15 115.25 3gaf h HIS 168 Ca 0.10 -0.21 0.09 0.00 -2.20 0.00 0.00 60.37 58.16 3gaf h HIS 168 Cb 0.15 -0.03 -0.07 0.00 1.55 0.00 0.00 27.41 29.01 3gaf h HIS 168 CO -0.01 1.07 0.14 1.25 -1.30 0.00 0.00 177.93 179.08 3gaf h LEU 169 N 0.11 0.06 -0.43 0.26 5.85 -0.94 -1.67 115.31 118.55 3gaf h LEU 169 Ca -0.06 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.81 3gaf h LEU 169 Cb 1.64 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.73 3gaf h LEU 169 CO 0.15 0.05 0.14 0.74 -0.34 0.00 0.00 178.44 179.18 3gaf h THR 170 N 0.29 0.84 -0.52 1.05 2.02 -1.15 0.02 112.91 115.46 3gaf h THR 170 Ca 0.28 -0.10 -0.06 0.00 0.77 0.00 0.00 66.41 67.30 3gaf h THR 170 Cb 0.38 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 3gaf h THR 170 CO -0.34 0.05 0.09 0.03 0.37 0.00 0.00 175.52 175.72 3gaf h ARG 171 N 0.29 0.81 0.00 6.66 3.08 -1.29 -3.02 114.38 120.92 3gaf h ARG 171 Ca 0.20 -0.18 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 3gaf h ARG 171 Cb 0.21 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3gaf h ARG 171 CO -0.22 0.76 -0.48 -0.91 -1.07 0.00 0.00 179.97 178.05 3gaf h ASN 172 N 0.78 0.00 0.35 7.04 2.35 -0.90 -3.36 115.58 121.85 3gaf h ASN 172 Ca 0.17 -0.82 -0.01 0.00 -0.55 0.00 0.00 56.30 55.09 3gaf h ASN 172 Cb 0.34 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 3gaf h ASN 172 CO 0.00 1.19 -0.03 0.16 -1.65 0.00 0.00 177.43 177.10 3gaf h ILE 173 N -1.00 0.20 -0.98 2.81 3.07 -1.13 -0.42 117.51 120.07 3gaf h ILE 173 Ca -0.13 -0.28 0.26 0.00 1.55 0.00 0.00 64.86 66.26 3gaf h ILE 173 Cb 1.12 1.22 -0.13 0.00 -0.27 0.00 0.00 36.82 38.76 3gaf h ILE 173 CO -0.08 0.03 0.55 0.00 -1.05 0.00 0.00 178.15 177.60 3gaf h ALA 174 N 1.97 1.76 -0.25 0.16 0.00 -1.66 -1.32 119.26 119.91 3gaf h ALA 174 Ca -0.00 0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 3gaf h ALA 174 Cb 0.22 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3gaf h ALA 174 CO 0.00 -0.36 -0.30 0.74 0.00 0.00 0.00 179.25 179.34 3gaf h PHE 175 N 0.48 0.58 0.02 0.00 -1.00 -1.25 -1.43 116.94 114.34 3gaf h PHE 175 Ca 0.65 -0.14 -0.22 0.00 2.81 0.00 0.00 57.97 61.07 3gaf h PHE 175 Cb 1.30 -0.14 -0.00 0.00 3.61 0.00 0.00 35.95 40.73 3gaf h PHE 175 CO -0.03 0.75 -0.96 -0.44 -1.61 0.00 0.00 178.31 176.01 3gaf h ASP 176 N 0.44 0.44 0.00 2.17 3.45 -1.33 -3.36 116.42 118.23 3gaf h ASP 176 Ca 0.06 -0.37 0.00 0.00 0.43 0.00 0.00 57.03 57.15 3gaf h ASP 176 Cb 0.75 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.38 3gaf h ASP 176 CO 0.06 1.18 -0.76 1.33 -1.57 0.00 0.00 179.24 179.49 3gaf n VAL 177 N -3.69 0.00 -0.20 -1.35 0.24 -0.68 -4.41 118.33 108.23 3gaf n VAL 177 Ca -0.06 -0.22 -0.03 0.00 -2.04 0.00 0.00 64.34 61.99 3gaf n VAL 177 Cb 0.85 0.87 0.03 0.00 -1.47 0.00 0.00 33.84 34.13 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 2.88 0.16 2.00 7.63 0.00 -1.22 -0.84 103.07 113.68 3gaf h GLY 178 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.66 3gaf h GLY 178 CO 0.00 -0.23 0.00 -2.55 0.00 0.00 0.00 176.54 173.76 3gaf h PRO 179 N -0.10 0.00 -0.23 4.80 0.11 -1.78 -0.11 132.00 134.70 3gaf h PRO 179 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 3gaf h PRO 179 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3gaf h PRO 179 CO -0.66 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 175.80 3gaf n MET 180 N -2.31 1.56 -1.28 1.05 2.81 -0.40 -4.92 117.12 113.63 3gaf n MET 180 Ca 0.01 -0.86 -0.05 0.00 -1.81 0.00 0.00 57.70 54.98 3gaf n MET 180 Cb 0.16 -1.21 -0.02 0.00 -0.71 0.00 0.00 33.22 31.45 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 0.90 0.69 3.41 3.03 0.00 -0.05 -4.30 105.19 108.88 3gaf n GLY 181 Ca 0.09 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.20 3.52 0.20 -0.61 1.01 -0.71 -2.00 121.20 120.42 3gaf s ILE 182 Ca 0.00 -0.48 -0.11 0.00 0.00 0.00 0.00 60.65 60.06 3gaf s ILE 182 Cb 0.00 -2.54 -0.07 0.00 0.01 0.00 0.00 42.46 39.86 3gaf s ILE 182 CO 0.00 0.48 0.54 -0.13 0.00 0.00 0.00 174.94 175.84 3gaf s ARG 183 N 0.64 3.85 -0.09 2.79 0.52 -0.52 -3.22 118.95 122.91 3gaf s ARG 183 Ca -0.04 0.33 -0.02 0.00 -0.52 0.00 0.00 55.73 55.49 3gaf s ARG 183 Cb -0.15 -2.75 0.04 0.00 0.52 0.00 0.00 34.95 32.61 3gaf s ARG 183 CO 0.03 0.38 0.02 0.08 0.02 0.00 0.00 175.30 175.82 3gaf s VAL 184 N -1.69 0.30 0.19 3.52 1.01 -1.26 -1.00 120.40 121.46 3gaf s VAL 184 Ca 0.44 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.48 3gaf s VAL 184 Cb -0.12 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.65 3gaf s VAL 184 CO 0.20 0.14 0.03 0.20 0.00 0.00 0.00 175.10 175.67 3gaf s ASN 185 N 1.99 1.12 0.07 3.32 0.01 -0.99 0.95 114.94 121.41 3gaf s ASN 185 Ca 0.04 -1.23 0.02 0.00 -0.71 0.00 0.00 52.86 50.99 3gaf s ASN 185 Cb -0.13 0.15 -0.03 0.00 0.41 0.00 0.00 41.25 41.64 3gaf s ASN 185 CO -0.06 -0.62 -0.08 0.00 -1.51 0.00 0.00 177.10 174.83 3gaf s ALA 186 N -3.72 0.83 -0.06 0.60 0.00 0.63 -1.19 121.76 118.85 3gaf s ALA 186 Ca 0.27 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 51.21 3gaf s ALA 186 Cb 0.07 0.08 -0.00 0.00 0.00 0.00 0.00 23.12 23.27 3gaf s ALA 186 CO 0.06 -0.10 -0.19 0.42 0.00 0.00 0.00 175.76 175.95 3gaf s ILE 187 N -2.41 1.65 -0.45 0.00 1.01 0.29 -0.98 121.20 120.31 3gaf s ILE 187 Ca 0.01 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 59.77 3gaf s ILE 187 Cb -0.03 -1.42 0.11 0.00 0.01 0.00 0.00 42.46 41.13 3gaf s ILE 187 CO -0.02 0.47 0.31 0.00 0.00 0.00 0.00 174.94 175.70 3gaf s ALA 188 N 0.17 3.34 0.24 9.38 0.00 -0.40 -0.26 121.76 134.22 3gaf s ALA 188 Ca -0.09 -2.51 -0.24 0.00 0.00 0.00 0.00 51.96 49.12 3gaf s ALA 188 Cb -0.14 -2.73 -0.09 0.00 0.00 0.00 0.00 23.12 20.16 3gaf s ALA 188 CO 0.04 -1.87 0.82 -1.25 0.00 0.00 0.00 175.76 173.50 3gaf s PRO 189 N 1.32 4.48 0.41 0.00 0.04 -1.26 -1.80 135.00 138.20 3gaf s PRO 189 Ca 0.06 1.13 -0.07 0.00 0.04 0.00 0.00 61.00 62.16 3gaf s PRO 189 Cb -0.25 -3.00 0.09 0.00 0.04 0.00 0.00 34.50 31.38 3gaf s PRO 189 CO -0.01 0.42 0.55 0.41 0.04 0.00 0.00 177.00 178.42 3gaf n GLY 190 N 0.99 -1.29 3.67 0.56 0.00 0.33 -4.35 105.19 105.10 3gaf n GLY 190 Ca -0.02 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 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 -3.99 3.62 -0.19 4.61 0.00 -1.26 -4.89 121.76 119.67 3gaf s ALA 191 Ca 0.31 1.00 -0.10 0.00 0.00 0.00 0.00 51.96 53.17 3gaf s ALA 191 Cb -0.01 -3.74 -0.05 0.00 0.00 0.00 0.00 23.12 19.33 3gaf s ALA 191 CO 0.22 -1.34 0.15 0.42 0.00 0.00 0.00 175.76 175.21 3gaf s ILE 192 N 3.77 5.41 -0.99 0.00 -1.09 -1.26 -2.18 121.20 124.86 3gaf s ILE 192 Ca 0.74 0.22 -0.20 0.00 -2.23 0.00 0.00 60.65 59.18 3gaf s ILE 192 Cb -0.35 -3.48 0.10 0.00 -1.58 0.00 0.00 42.46 37.15 3gaf s ILE 192 CO 0.31 0.45 1.29 -0.75 -1.23 0.00 0.00 174.94 175.01 3gaf s LYS 193 N 0.26 3.63 -0.20 2.79 2.20 0.28 -4.71 119.74 124.00 3gaf s LYS 193 Ca 0.09 -1.55 -0.14 0.00 -0.36 0.00 0.00 55.97 54.02 3gaf s LYS 193 Cb -0.11 -5.13 -0.20 0.00 -1.51 0.00 0.00 37.83 30.88 3gaf s LYS 193 CO -0.01 -1.97 0.14 -2.37 -0.36 0.00 0.00 175.35 170.78 3gaf n THR 194 N 6.05 1.61 -3.48 3.43 5.66 -1.26 -4.72 114.28 121.58 3gaf n THR 194 Ca 0.29 -0.33 0.01 0.00 -3.05 0.00 0.00 64.05 60.97 3gaf n THR 194 Cb 0.49 -1.87 -0.04 0.00 -1.55 0.00 0.00 70.33 67.37 3gaf n THR 194 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 3gaf s ASP 195 N -6.98 -0.78 -0.16 1.09 -4.77 -1.26 -5.16 116.67 98.66 3gaf s ASP 195 Ca -0.29 1.05 -0.00 0.00 -3.30 0.00 0.00 52.55 50.01 3gaf s ASP 195 Cb 0.08 1.88 -0.10 0.00 -1.09 0.00 0.00 42.92 43.69 3gaf s ASP 195 CO 0.63 -0.15 -0.15 -2.65 0.70 0.00 0.00 175.17 173.56 3gaf n PRO 203 N 5.15 0.38 -0.03 2.11 -0.02 -1.26 -5.17 135.00 136.15 3gaf n PRO 203 Ca -0.10 0.10 -0.15 0.00 -2.02 0.00 0.00 63.50 61.33 3gaf n PRO 203 Cb 0.51 -1.27 -0.08 0.00 -0.02 0.00 0.00 33.50 32.63 3gaf n PRO 203 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3gaf h GLU 204 N -0.10 0.45 -0.04 -0.52 3.07 -2.07 -3.19 114.58 112.17 3gaf h GLU 204 Ca -0.36 -0.34 -0.12 0.00 -0.50 0.00 0.00 59.36 58.03 3gaf h GLU 204 Cb 1.51 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.47 3gaf h GLU 204 CO -0.09 0.97 -0.54 -0.84 -1.40 0.00 0.00 179.01 177.12 3gaf h ILE 205 N 0.02 1.38 -0.65 3.13 3.07 -2.06 -3.11 117.51 119.28 3gaf h ILE 205 Ca -0.02 -1.84 0.11 0.00 1.55 0.00 0.00 64.86 64.66 3gaf h ILE 205 Cb 1.03 1.94 -0.12 0.00 -0.27 0.00 0.00 36.82 39.40 3gaf h ILE 205 CO 0.08 0.54 -0.34 -0.08 -1.05 0.00 0.00 178.15 177.30 3gaf h GLU 206 N 0.10 -0.13 0.00 0.16 4.57 -1.99 -1.66 114.58 115.62 3gaf h GLU 206 Ca -0.00 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 3gaf h GLU 206 Cb 0.98 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.60 3gaf h GLU 206 CO 0.08 -0.09 -0.09 0.00 -1.18 0.00 0.00 179.01 177.73 3gaf h ARG 207 N -0.14 0.00 0.04 1.92 3.08 -1.53 -0.81 114.38 116.94 3gaf h ARG 207 Ca 0.25 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 60.08 3gaf h ARG 207 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 3gaf h ARG 207 CO -0.73 0.09 -1.00 0.00 -1.07 0.00 0.00 179.97 177.27 3gaf h ALA 208 N 1.91 0.37 -0.47 0.04 0.00 -1.51 -3.19 119.26 116.41 3gaf h ALA 208 Ca -0.00 -0.80 -0.09 0.00 0.00 0.00 0.00 54.91 54.02 3gaf h ALA 208 Cb 0.18 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3gaf h ALA 208 CO 0.01 0.98 -0.07 0.52 0.00 0.00 0.00 179.25 180.69 3gaf h MET 209 N 0.09 0.82 -0.01 0.00 2.07 -0.45 -3.31 114.93 114.14 3gaf h MET 209 Ca -0.06 -0.26 0.00 0.00 -2.07 0.00 0.00 59.70 57.31 3gaf h MET 209 Cb 1.68 -0.08 0.00 0.00 -1.87 0.00 0.00 31.60 31.33 3gaf h MET 209 CO 0.15 0.87 -0.00 1.28 1.07 0.00 0.00 176.91 180.28 3gaf n LEU 210 N -4.18 1.37 0.04 1.22 4.77 -0.39 -3.87 117.00 115.97 3gaf n LEU 210 Ca 0.02 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 3gaf n LEU 210 Cb 0.35 -0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.75 3gaf n LEU 210 CO 0.43 0.23 0.90 0.07 -1.33 0.00 0.00 177.39 177.69 3gaf h LYS 211 N 2.15 0.43 -0.64 3.23 2.10 -1.64 -2.27 116.57 119.93 3gaf h LYS 211 Ca 0.00 -0.10 -0.30 0.00 -2.00 0.00 0.00 60.65 58.25 3gaf h LYS 211 Cb 0.46 -0.06 -0.18 0.00 -0.90 0.00 0.00 32.23 31.55 3gaf h LYS 211 CO 0.00 0.51 0.25 0.72 -2.00 0.00 0.00 179.45 178.93 3gaf n HIS 212 N -4.26 2.02 -3.66 0.07 8.25 -1.26 -4.81 115.22 111.57 3gaf n HIS 212 Ca 0.01 -1.59 -0.39 0.00 -0.26 0.00 0.00 57.72 55.49 3gaf n HIS 212 Cb 0.27 -0.68 -0.10 0.00 1.12 0.00 0.00 29.99 30.60 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 -3.20 3.79 0.41 1.59 2.01 -0.85 -3.34 115.64 116.04 3gaf s THR 213 Ca 0.51 -2.02 0.25 0.00 0.31 0.00 0.00 61.69 60.74 3gaf s THR 213 Cb 0.43 -3.53 0.44 0.00 0.01 0.00 0.00 72.50 69.85 3gaf s THR 213 CO 0.07 -0.75 1.64 -0.65 -0.69 0.00 0.00 174.62 174.23 3gaf h PRO 214 N 8.14 0.14 -0.11 4.92 0.11 -1.81 0.30 132.00 143.68 3gaf h PRO 214 Ca -0.15 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3gaf h PRO 214 Cb 1.05 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3gaf h PRO 214 CO 0.78 0.09 0.00 1.28 -0.21 0.00 0.00 178.00 179.94 3gaf n LEU 215 N -4.81 1.61 -1.52 2.35 4.77 -0.97 -4.95 117.00 113.48 3gaf n LEU 215 Ca 0.35 -0.63 -0.10 0.00 -0.03 0.00 0.00 56.01 55.61 3gaf n LEU 215 Cb 1.29 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 42.28 3gaf n LEU 215 CO 0.17 0.31 -0.10 0.61 -1.33 0.00 0.00 177.39 177.05 3gaf n GLY 216 N 1.15 0.66 3.23 -0.72 0.00 0.10 -4.92 105.19 104.69 3gaf n GLY 216 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.27 1.04 0.76 1.61 1.70 -1.26 -5.05 118.95 114.47 3gaf s ARG 217 Ca 0.00 -1.47 -0.10 0.00 -0.47 0.00 0.00 55.73 53.69 3gaf s ARG 217 Cb 0.00 -0.38 0.06 0.00 -0.57 0.00 0.00 34.95 34.06 3gaf s ARG 217 CO 0.00 -0.04 1.11 -0.51 -1.08 0.00 0.00 175.30 174.78 3gaf s LEU 218 N -3.15 2.68 0.49 -1.89 1.43 -1.26 -4.93 118.68 112.05 3gaf s LEU 218 Ca 0.19 0.76 -0.11 0.00 -1.03 0.00 0.00 54.13 53.94 3gaf s LEU 218 Cb 0.05 -3.36 -0.06 0.00 0.03 0.00 0.00 46.19 42.85 3gaf s LEU 218 CO 0.01 -1.69 0.88 -0.83 0.23 0.00 0.00 176.35 174.94 3gaf s GLY 219 N -4.51 1.85 0.14 -3.19 0.00 -0.93 -4.82 107.32 95.86 3gaf s GLY 219 Ca 0.60 -0.13 0.03 0.00 0.00 0.00 0.00 44.72 45.22 3gaf s GLY 219 CO 0.48 0.09 0.25 -0.54 0.00 0.00 0.00 173.10 173.39 3gaf s GLU 220 N -4.31 3.34 0.40 2.90 8.01 -1.26 0.10 118.70 127.88 3gaf s GLU 220 Ca 0.53 -0.64 0.10 0.00 0.01 0.00 0.00 54.97 54.98 3gaf s GLU 220 Cb -0.10 -2.91 0.89 0.00 -4.31 0.00 0.00 34.13 27.70 3gaf s GLU 220 CO 0.38 0.52 1.97 0.00 0.01 0.00 0.00 175.26 178.14 3gaf h ALA 221 N 2.27 1.86 -0.03 5.21 0.00 -1.93 -2.30 119.26 124.34 3gaf h ALA 221 Ca -0.48 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 3gaf h ALA 221 Cb 1.19 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3gaf h ALA 221 CO 0.68 0.02 -0.28 0.37 0.00 0.00 0.00 179.25 180.04 3gaf h GLN 222 N 0.57 0.05 -0.70 0.00 5.75 -1.94 -2.32 115.11 116.52 3gaf h GLN 222 Ca 0.29 -0.02 0.05 0.00 -0.15 0.00 0.00 58.65 58.82 3gaf h GLN 222 Cb 0.38 -0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.87 3gaf h GLN 222 CO -0.09 0.33 0.40 -0.44 -2.65 0.00 0.00 178.83 176.39 3gaf h ASP 223 N 0.05 0.62 -0.41 -0.69 3.32 -1.82 -0.61 116.42 116.87 3gaf h ASP 223 Ca 0.01 0.02 -0.11 0.00 0.02 0.00 0.00 57.03 56.97 3gaf h ASP 223 Cb 0.53 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 3gaf h ASP 223 CO 0.04 0.41 -0.17 0.40 -1.72 0.00 0.00 179.24 178.19 3gaf h ILE 224 N 0.75 1.28 -0.47 0.35 1.08 -1.51 -2.91 117.51 116.08 3gaf h ILE 224 Ca 0.31 -1.31 -0.04 0.00 -0.39 0.00 0.00 64.86 63.42 3gaf h ILE 224 Cb 0.15 1.24 -0.02 0.00 -3.07 0.00 0.00 36.82 35.12 3gaf h ILE 224 CO -0.17 0.44 0.10 0.00 -0.69 0.00 0.00 178.15 177.84 3gaf h ALA 225 N 0.83 1.31 -0.48 1.87 0.00 -1.26 0.18 119.26 121.70 3gaf h ALA 225 Ca 0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3gaf h ALA 225 Cb 0.73 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3gaf h ALA 225 CO 0.06 0.49 0.12 -0.91 0.00 0.00 0.00 179.25 179.01 3gaf h ASN 226 N 0.68 0.72 -0.35 0.00 2.35 -0.98 -1.11 115.58 116.90 3gaf h ASN 226 Ca 0.15 -0.23 -0.06 0.00 -0.55 0.00 0.00 56.30 55.61 3gaf h ASN 226 Cb 0.27 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3gaf h ASN 226 CO -0.00 0.76 -0.02 0.00 -1.65 0.00 0.00 177.43 176.52 3gaf h ALA 227 N 0.99 0.47 -0.87 -0.83 0.00 -1.27 -1.24 119.26 116.51 3gaf h ALA 227 Ca 0.15 -0.26 0.14 0.00 0.00 0.00 0.00 54.91 54.95 3gaf h ALA 227 Cb 0.32 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 17.89 3gaf h ALA 227 CO 0.00 0.26 0.47 0.00 0.00 0.00 0.00 179.25 179.97 3gaf h ALA 228 N 0.85 1.32 -0.16 0.00 0.00 -0.60 -1.66 119.26 119.00 3gaf h ALA 228 Ca 0.10 0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.87 3gaf h ALA 228 Cb 0.49 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.25 3gaf h ALA 228 CO 0.02 -0.05 -0.72 1.25 0.00 0.00 0.00 179.25 179.75 3gaf h LEU 229 N 0.67 0.92 -0.27 0.00 5.85 -0.86 -1.86 115.31 119.75 3gaf h LEU 229 Ca 0.47 -0.62 0.04 0.00 0.84 0.00 0.00 57.88 58.61 3gaf h LEU 229 Cb 0.64 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 3gaf h LEU 229 CO -0.35 1.38 0.06 0.15 -0.34 0.00 0.00 178.44 179.35 3gaf h PHE 230 N 0.51 0.11 0.00 1.25 3.57 -0.82 -2.00 116.94 119.55 3gaf h PHE 230 Ca -0.04 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.40 3gaf h PHE 230 Cb 1.35 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.07 3gaf h PHE 230 CO 0.09 0.03 -0.34 -0.07 -2.23 0.00 0.00 178.31 175.79 3gaf h LEU 231 N 0.17 0.00 -0.45 0.59 3.38 -1.25 -2.42 115.31 115.33 3gaf h LEU 231 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3gaf h LEU 231 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3gaf h LEU 231 CO -0.16 0.34 -0.35 0.00 0.09 0.00 0.00 178.44 178.37 3gaf s SER 233 N -2.60 6.10 0.64 0.00 1.04 -0.76 -4.82 113.70 113.30 3gaf s SER 233 Ca 0.21 0.11 0.35 0.00 0.48 0.00 0.00 55.95 57.10 3gaf s SER 233 Cb 0.19 -1.63 1.95 0.00 0.10 0.00 0.00 66.02 66.63 3gaf s SER 233 CO 0.57 -0.36 2.15 -0.65 0.98 0.00 0.00 173.24 175.93 3gaf h PRO 234 N 0.84 0.00 0.00 4.02 0.11 -1.73 -0.89 132.00 134.35 3gaf h PRO 234 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3gaf h PRO 234 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3gaf h PRO 234 CO 0.58 0.00 0.10 0.00 -0.21 0.00 0.00 178.00 178.47 3gaf h ALA 235 N 1.72 1.08 0.00 -0.75 0.00 -1.67 -1.95 119.26 117.69 3gaf h ALA 235 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3gaf h ALA 235 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3gaf h ALA 235 CO -0.00 -0.08 -0.16 0.00 0.00 0.00 0.00 179.25 179.01 3gaf n ALA 236 N -1.78 2.42 -0.13 0.00 0.00 -0.34 -4.82 120.51 115.86 3gaf n ALA 236 Ca -0.02 -2.50 0.27 0.00 0.00 0.00 0.00 53.44 51.20 3gaf n ALA 236 Cb 0.14 -0.40 0.62 0.00 0.00 0.00 0.00 19.45 19.81 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 0.16 2.70 -0.27 0.00 0.00 -1.40 -1.72 119.26 118.74 3gaf h ALA 237 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3gaf h ALA 237 Cb 1.08 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3gaf h ALA 237 CO 0.00 -1.33 0.00 1.87 0.00 0.00 0.00 179.25 179.80 3gaf n TRP 238 N -3.57 0.82 -4.21 0.00 -0.00 -1.26 -4.95 117.44 104.26 3gaf n TRP 238 Ca 0.18 -0.80 -0.34 0.00 -0.00 0.00 0.00 57.50 56.54 3gaf n TRP 238 Cb 1.17 -0.25 -0.13 0.00 -0.00 0.00 0.00 31.31 32.10 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 -2.45 3.72 0.02 5.87 1.01 -0.65 -5.08 121.20 123.64 3gaf s ILE 239 Ca 0.38 -0.40 -0.23 0.00 0.00 0.00 0.00 60.65 60.40 3gaf s ILE 239 Cb 0.29 -2.66 0.05 0.00 0.01 0.00 0.00 42.46 40.16 3gaf s ILE 239 CO 0.10 0.46 0.51 -0.55 0.00 0.00 0.00 174.94 175.46 3gaf s SER 240 N 0.84 -0.44 -0.82 3.58 0.15 -1.26 -4.64 113.70 111.11 3gaf s SER 240 Ca -0.01 0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.90 3gaf s SER 240 Cb -0.14 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 3gaf s SER 240 CO 0.02 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.41 3gaf n GLY 241 N 0.63 0.94 3.86 9.45 0.00 0.27 -4.94 105.19 115.40 3gaf n GLY 241 Ca -0.19 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.38 3.73 -0.26 1.61 -1.52 -1.25 -4.42 119.66 115.17 3gaf s GLN 242 Ca 0.00 0.15 -0.01 0.00 -1.95 0.00 0.00 55.36 53.55 3gaf s GLN 242 Cb 0.00 -3.09 0.03 0.00 -0.22 0.00 0.00 33.01 29.73 3gaf s GLN 242 CO 0.00 0.64 -0.05 0.08 -0.25 0.00 0.00 175.29 175.71 3gaf s VAL 243 N -1.25 2.87 -0.25 1.09 1.01 -1.26 -0.27 120.40 122.33 3gaf s VAL 243 Ca 0.27 -1.16 -0.08 0.00 0.00 0.00 0.00 61.98 61.01 3gaf s VAL 243 Cb -0.14 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 3gaf s VAL 243 CO 0.15 0.10 0.09 -0.22 0.00 0.00 0.00 175.10 175.21 3gaf s LEU 244 N 1.29 3.52 -0.24 3.92 2.96 -0.15 -4.94 118.68 125.04 3gaf s LEU 244 Ca -0.02 -0.18 -0.22 0.00 -0.22 0.00 0.00 54.13 53.49 3gaf s LEU 244 Cb -0.18 -1.95 -0.01 0.00 0.50 0.00 0.00 46.19 44.55 3gaf s LEU 244 CO -0.03 -0.04 0.72 -0.89 -1.32 0.00 0.00 176.35 174.79 3gaf s THR 245 N 1.63 4.93 -0.59 3.68 2.01 -1.26 -1.27 115.64 124.77 3gaf s THR 245 Ca 0.06 1.33 -0.04 0.00 0.31 0.00 0.00 61.69 63.36 3gaf s THR 245 Cb -0.15 -4.02 0.15 0.00 0.01 0.00 0.00 72.50 68.49 3gaf s THR 245 CO 0.05 -0.00 0.41 -0.69 -0.69 0.00 0.00 174.62 173.70 3gaf s VAL 246 N 2.54 3.82 0.00 3.82 1.01 -0.74 -4.87 120.40 125.97 3gaf s VAL 246 Ca 0.30 -2.66 0.04 0.00 0.00 0.00 0.00 61.98 59.67 3gaf s VAL 246 Cb -0.15 -3.50 0.07 0.00 0.00 0.00 0.00 36.38 32.80 3gaf s VAL 246 CO 0.08 -0.85 0.88 -1.54 0.00 0.00 0.00 175.10 173.68 3gaf n SER 247 N 3.84 -0.26 -1.42 3.32 3.41 -1.26 -0.51 113.62 120.75 3gaf n SER 247 Ca 0.05 -1.70 -0.18 0.00 -0.26 0.00 0.00 58.87 56.78 3gaf n SER 247 Cb 0.39 0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.33 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 0.08 1.59 0.44 5.00 0.00 -1.26 -2.59 105.19 108.45 3gaf n GLY 248 Ca -0.11 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.80 0.53 0.00 -0.02 0.00 -1.26 -2.28 105.19 101.35 3gaf n GLY 249 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.00 3.25 3.54 -0.02 0.00 -1.07 -4.63 105.19 104.27 3gaf n GLY 250 Ca 0.00 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.47 3.72 -0.86 1.61 -7.23 -1.21 -4.78 120.40 109.17 3gaf s VAL 251 Ca 0.00 -0.45 -0.15 0.00 -1.81 0.00 0.00 61.98 59.56 3gaf s VAL 251 Cb 0.00 -2.56 0.19 0.00 0.56 0.00 0.00 36.38 34.57 3gaf s VAL 251 CO 0.00 0.56 0.88 -1.10 -0.31 0.00 0.00 175.10 175.14 3gaf s GLN 252 N -0.36 3.61 0.23 4.82 1.11 -1.26 -4.42 119.66 123.38 3gaf s GLN 252 Ca 0.05 -2.25 0.10 0.00 0.01 0.00 0.00 55.36 53.27 3gaf s GLN 252 Cb -0.12 -4.58 -0.04 0.00 -1.01 0.00 0.00 33.01 27.25 3gaf s GLN 252 CO 0.02 -1.44 -0.10 -2.00 0.01 0.00 0.00 175.29 171.78 3gaf s GLU 253 N 0.94 2.01 0.00 2.91 2.12 -1.25 -4.87 118.70 120.57 3gaf s GLU 253 Ca 0.23 -1.43 0.00 0.00 0.36 0.00 0.00 54.97 54.13 3gaf s GLU 253 Cb -0.08 -2.06 0.00 0.00 0.26 0.00 0.00 34.13 32.25 3gaf s GLU 253 CO -0.09 0.39 0.41 1.28 -0.54 0.00 0.00 175.26 176.71