#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gaf n TYR 3 N 0.00 0.00 -1.53 0.66 4.01 -1.26 -5.05 117.16 113.99 3gaf n TYR 3 Ca 0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.42 3gaf n TYR 3 Cb 0.00 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.09 3gaf n TYR 3 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3gaf s GLU 4 N -0.56 2.61 0.65 -0.72 8.01 -1.26 -5.01 118.70 122.42 3gaf s GLU 4 Ca 0.00 1.23 -0.18 0.00 0.01 0.00 0.00 54.97 56.03 3gaf s GLU 4 Cb 0.00 -1.94 -0.02 0.00 -4.31 0.00 0.00 34.13 27.87 3gaf s GLU 4 CO 0.00 -1.38 1.15 -1.13 0.01 0.00 0.00 175.26 173.92 3gaf n SER 5 N -2.96 1.46 0.00 -0.19 3.41 -1.26 -4.87 113.62 109.21 3gaf n SER 5 Ca 0.09 0.79 0.12 0.00 -0.26 0.00 0.00 58.87 59.61 3gaf n SER 5 Cb 0.53 -1.49 0.69 0.00 -0.26 0.00 0.00 64.21 63.68 3gaf n SER 5 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 3gaf n PRO 6 N -1.69 0.76 -0.26 4.33 -0.04 -1.26 -3.30 135.00 133.54 3gaf n PRO 6 Ca 0.15 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.64 3gaf n PRO 6 Cb 0.48 -1.48 0.13 0.00 -0.04 0.00 0.00 33.50 32.60 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 -0.98 0.61 -4.33 0.54 3.72 -1.26 -1.53 117.46 114.24 3gaf n PHE 7 Ca 0.17 -0.23 -0.24 0.00 -0.05 0.00 0.00 57.45 57.11 3gaf n PHE 7 Cb 0.08 -0.17 -0.08 0.00 -0.94 0.00 0.00 39.48 38.37 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 -1.63 2.58 -0.40 1.38 3.76 -1.21 -4.93 115.29 114.84 3gaf s HIS 8 Ca 0.19 -0.32 0.05 0.00 -0.15 0.00 0.00 55.06 54.83 3gaf s HIS 8 Cb 0.13 -1.28 0.44 0.00 1.11 0.00 0.00 32.58 32.98 3gaf s HIS 8 CO 0.08 0.58 1.27 1.28 -0.85 0.00 0.00 174.74 177.09 3gaf n LEU 9 N -0.88 5.19 -4.72 0.89 4.77 0.30 -4.45 117.00 118.09 3gaf n LEU 9 Ca -0.05 -4.88 -0.42 0.00 -0.03 0.00 0.00 56.01 50.63 3gaf n LEU 9 Cb 0.60 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 3gaf n LEU 9 CO 0.41 2.09 1.17 0.20 -1.33 0.00 0.00 177.39 179.93 3gaf s ASN 10 N -3.33 6.68 0.00 -1.43 0.01 -1.21 -1.80 114.94 113.86 3gaf s ASN 10 Ca 0.51 2.50 0.00 0.00 -0.71 0.00 0.00 52.86 55.16 3gaf s ASN 10 Cb 0.42 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.49 3gaf s ASN 10 CO -0.06 -0.76 0.00 -0.67 -1.51 0.00 0.00 177.10 174.09 3gaf n ASP 11 N 4.06 0.00 -4.77 -1.22 2.03 -1.23 -4.99 116.55 110.43 3gaf n ASP 11 Ca 0.13 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.11 3gaf n ASP 11 Cb 0.40 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.84 3gaf n ASP 11 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gaf s ALA 12 N -2.11 2.53 -0.14 -1.67 0.00 -0.74 -4.89 121.76 114.74 3gaf s ALA 12 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.57 3gaf s ALA 12 Cb 0.00 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.82 3gaf s ALA 12 CO 0.00 -1.14 -0.12 0.08 0.00 0.00 0.00 175.76 174.58 3gaf s VAL 13 N -2.21 1.42 -0.20 0.00 1.01 -1.26 -1.37 120.40 117.79 3gaf s VAL 13 Ca 0.68 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 62.14 3gaf s VAL 13 Cb -0.21 -1.36 0.03 0.00 0.00 0.00 0.00 36.38 34.85 3gaf s VAL 13 CO 0.38 0.43 -0.16 0.00 0.00 0.00 0.00 175.10 175.75 3gaf s ALA 14 N 1.55 2.37 -0.12 5.51 0.00 -0.29 -1.09 121.76 129.69 3gaf s ALA 14 Ca 0.05 -1.37 -0.26 0.00 0.00 0.00 0.00 51.96 50.38 3gaf s ALA 14 Cb -0.13 -1.31 -0.02 0.00 0.00 0.00 0.00 23.12 21.67 3gaf s ALA 14 CO -0.10 -0.64 0.83 0.42 0.00 0.00 0.00 175.76 176.28 3gaf s ILE 15 N 1.25 4.91 -0.19 0.00 1.01 -0.06 -0.61 121.20 127.50 3gaf s ILE 15 Ca 0.00 1.67 0.01 0.00 0.00 0.00 0.00 60.65 62.34 3gaf s ILE 15 Cb -0.15 -4.15 0.02 0.00 0.01 0.00 0.00 42.46 38.19 3gaf s ILE 15 CO -0.10 0.09 -0.18 -0.69 0.00 0.00 0.00 174.94 174.06 3gaf s VAL 16 N 1.70 2.01 0.42 2.92 1.01 -0.14 -0.12 120.40 128.20 3gaf s VAL 16 Ca 0.40 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 3gaf s VAL 16 Cb -0.17 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 3gaf s VAL 16 CO 0.16 0.47 0.64 0.42 0.00 0.00 0.00 175.10 176.79 3gaf s THR 17 N 1.29 4.60 -1.58 3.92 -4.23 -0.94 -0.90 115.64 117.79 3gaf s THR 17 Ca 0.03 -0.36 -0.06 0.00 -1.18 0.00 0.00 61.69 60.13 3gaf s THR 17 Cb -0.14 -3.70 0.06 0.00 1.34 0.00 0.00 72.50 70.06 3gaf s THR 17 CO -0.12 -0.51 0.30 0.61 -0.54 0.00 0.00 174.62 174.36 3gaf n GLY 18 N -2.00 -0.23 1.48 3.99 0.00 -0.86 -3.58 105.19 103.98 3gaf n GLY 18 Ca -0.01 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.24 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 -4.43 3.39 0.13 4.61 0.00 -0.15 -4.49 120.51 119.57 3gaf n ALA 19 Ca -0.20 -1.95 -0.02 0.00 0.00 0.00 0.00 53.44 51.27 3gaf n ALA 19 Cb 0.63 -0.95 0.18 0.00 0.00 0.00 0.00 19.45 19.31 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 3.27 1.00 -2.57 0.00 0.00 -1.82 -3.13 119.26 116.00 3gaf h ALA 20 Ca 0.00 -0.53 -0.20 0.00 0.00 0.00 0.00 54.91 54.18 3gaf h ALA 20 Cb 1.67 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 19.22 3gaf h ALA 20 CO 0.34 0.73 -0.56 0.00 0.00 0.00 0.00 179.25 179.76 3gaf s ALA 21 N -3.72 0.87 0.00 0.00 0.00 -1.26 -4.81 121.76 112.84 3gaf s ALA 21 Ca -0.02 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.44 3gaf s ALA 21 Cb 0.13 1.18 0.00 0.00 0.00 0.00 0.00 23.12 24.43 3gaf s ALA 21 CO 0.77 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 176.35 3gaf n GLY 22 N -0.23 2.06 0.38 0.00 0.00 -1.26 -2.43 105.19 103.71 3gaf n GLY 22 Ca -0.01 -0.43 -0.04 0.00 0.00 0.00 0.00 46.02 45.54 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 0.06 -0.83 -0.61 2.04 -1.95 -0.33 117.51 115.89 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 0.06 -0.07 0.00 -0.74 0.00 0.00 36.82 36.06 3gaf h ILE 23 CO 0.00 0.00 0.48 1.23 0.00 0.00 0.00 178.15 179.86 3gaf h GLY 24 N -0.07 1.29 0.84 5.37 0.00 -1.78 0.38 103.07 109.11 3gaf h GLY 24 Ca 0.28 -0.32 -0.07 0.00 0.00 0.00 0.00 47.33 47.23 3gaf h GLY 24 CO -0.87 0.12 -0.11 -0.09 0.00 0.00 0.00 176.54 175.60 3gaf h ARG 25 N 0.79 0.49 -0.91 4.80 2.43 -0.82 -2.04 114.38 119.12 3gaf h ARG 25 Ca 0.40 -0.21 0.04 0.00 -0.81 0.00 0.00 59.98 59.40 3gaf h ARG 25 Cb 0.38 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.86 3gaf h ARG 25 CO -0.25 0.76 0.59 0.00 -1.51 0.00 0.00 179.97 179.55 3gaf h ALA 26 N 0.72 1.21 0.02 2.80 0.00 -0.68 -1.91 119.26 121.42 3gaf h ALA 26 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3gaf h ALA 26 Cb 0.61 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3gaf h ALA 26 CO 0.03 0.44 -0.01 0.82 0.00 0.00 0.00 179.25 180.54 3gaf h ILE 27 N 1.14 0.99 -0.04 0.00 2.04 -0.83 -0.28 117.51 120.53 3gaf h ILE 27 Ca 0.37 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 66.25 3gaf h ILE 27 Cb 0.02 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 3gaf h ILE 27 CO -0.12 0.00 -0.26 0.00 0.00 0.00 0.00 178.15 177.77 3gaf h ALA 28 N 0.95 -0.32 -0.24 1.87 0.00 -1.21 0.17 119.26 120.49 3gaf h ALA 28 Ca -0.00 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3gaf h ALA 28 Cb 0.03 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3gaf h ALA 28 CO 0.00 -0.75 0.15 0.78 0.00 0.00 0.00 179.25 179.44 3gaf h GLY 29 N -0.37 0.33 0.79 0.00 0.00 -1.27 -2.29 103.07 100.26 3gaf h GLY 29 Ca 0.07 -0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.31 3gaf h GLY 29 CO -0.25 0.11 -0.04 -0.84 0.00 0.00 0.00 176.54 175.52 3gaf h THR 30 N 0.31 0.88 -0.86 4.70 2.02 -0.95 -1.37 112.91 117.63 3gaf h THR 30 Ca 0.09 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.28 3gaf h THR 30 Cb -0.02 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.22 3gaf h THR 30 CO -0.03 0.00 0.57 -0.26 0.37 0.00 0.00 175.52 176.17 3gaf h PHE 31 N -0.03 1.08 -0.00 3.16 -1.00 -0.57 -1.62 116.94 117.96 3gaf h PHE 31 Ca 0.05 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.85 3gaf h PHE 31 Cb 0.09 -0.37 -0.00 0.00 3.61 0.00 0.00 35.95 39.29 3gaf h PHE 31 CO -0.15 0.67 0.00 0.00 -1.61 0.00 0.00 178.31 177.22 3gaf h ALA 32 N 1.47 0.00 0.00 2.45 0.00 -1.22 -1.00 119.26 120.96 3gaf h ALA 32 Ca 0.32 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3gaf h ALA 32 Cb -0.12 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3gaf h ALA 32 CO -0.07 -0.43 -0.10 1.57 0.00 0.00 0.00 179.25 180.22 3gaf h LYS 33 N -0.13 0.00 -0.05 0.00 2.10 -0.92 -0.32 116.57 117.25 3gaf h LYS 33 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3gaf h LYS 33 Cb 0.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 3gaf h LYS 33 CO -0.00 0.10 0.00 0.00 -2.00 0.00 0.00 179.45 177.55 3gaf n ALA 34 N -2.41 2.59 0.00 0.07 0.00 -0.64 -4.92 120.51 115.20 3gaf n ALA 34 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3gaf n ALA 34 Cb 0.18 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 0.98 1.05 3.83 0.00 0.00 -0.13 -0.54 105.19 110.37 3gaf n GLY 35 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 3.31 -0.16 4.61 0.00 -0.41 -3.52 121.76 123.58 3gaf s ALA 36 Ca 0.00 0.19 -0.23 0.00 0.00 0.00 0.00 51.96 51.91 3gaf s ALA 36 Cb 0.00 -2.88 -0.02 0.00 0.00 0.00 0.00 23.12 20.21 3gaf s ALA 36 CO 0.00 0.29 0.73 -1.12 0.00 0.00 0.00 175.76 175.66 3gaf s SER 37 N -1.96 6.86 -0.17 0.00 0.01 -0.47 -4.17 113.70 113.80 3gaf s SER 37 Ca 0.51 1.05 -0.04 0.00 1.31 0.00 0.00 55.95 58.78 3gaf s SER 37 Cb -0.13 -2.41 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 3gaf s SER 37 CO 0.19 -0.30 -0.04 -0.69 0.41 0.00 0.00 173.24 172.81 3gaf s VAL 38 N 1.82 3.80 -0.54 3.43 1.01 -0.58 -1.14 120.40 128.20 3gaf s VAL 38 Ca 0.35 -0.38 -0.21 0.00 0.00 0.00 0.00 61.98 61.74 3gaf s VAL 38 Cb -0.16 -2.68 0.06 0.00 0.00 0.00 0.00 36.38 33.59 3gaf s VAL 38 CO 0.13 0.47 0.76 -0.69 0.00 0.00 0.00 175.10 175.77 3gaf s VAL 39 N 0.60 4.68 -0.13 2.92 1.01 0.21 -1.98 120.40 127.71 3gaf s VAL 39 Ca -0.03 -0.31 -0.26 0.00 0.00 0.00 0.00 61.98 61.38 3gaf s VAL 39 Cb -0.14 -4.42 -0.02 0.00 0.00 0.00 0.00 36.38 31.79 3gaf s VAL 39 CO 0.02 -0.99 0.85 -0.69 0.00 0.00 0.00 175.10 174.29 3gaf s VAL 40 N 3.15 4.89 0.19 2.92 1.01 0.16 -0.96 120.40 131.76 3gaf s VAL 40 Ca 0.20 1.70 0.10 0.00 0.00 0.00 0.00 61.98 63.98 3gaf s VAL 40 Cb -0.18 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 3gaf s VAL 40 CO 0.13 0.07 -0.21 0.42 0.00 0.00 0.00 175.10 175.51 3gaf s THR 41 N 1.83 2.16 0.24 3.92 -4.23 -0.08 -0.39 115.64 119.08 3gaf s THR 41 Ca 0.41 -2.03 -0.20 0.00 -1.18 0.00 0.00 61.69 58.69 3gaf s THR 41 Cb -0.17 -2.04 0.03 0.00 1.34 0.00 0.00 72.50 71.66 3gaf s THR 41 CO 0.15 -0.23 0.63 -0.62 -0.54 0.00 0.00 174.62 174.01 3gaf s ASP 42 N -2.77 -0.30 0.33 3.99 -1.08 -0.38 -0.98 116.67 115.48 3gaf s ASP 42 Ca 0.20 -0.50 0.11 0.00 -0.52 0.00 0.00 52.55 51.84 3gaf s ASP 42 Cb -0.07 0.66 0.58 0.00 -1.46 0.00 0.00 42.92 42.63 3gaf s ASP 42 CO 0.09 -1.19 1.75 0.25 0.52 0.00 0.00 175.17 176.59 3gaf h LEU 43 N 2.07 0.03 -8.53 -1.34 6.46 -1.85 1.30 115.31 113.44 3gaf h LEU 43 Ca -0.25 -0.01 -0.66 0.00 -0.12 0.00 0.00 57.88 56.85 3gaf h LEU 43 Cb 1.26 -0.01 -0.27 0.00 -0.73 0.00 0.00 40.66 40.92 3gaf h LEU 43 CO 0.30 0.48 -0.74 -0.54 -0.62 0.00 0.00 178.44 177.32 3gaf s LYS 44 N -4.01 3.40 0.47 1.25 1.02 -1.26 -4.62 119.74 115.98 3gaf s LYS 44 Ca -0.03 -0.65 0.27 0.00 0.02 0.00 0.00 55.97 55.58 3gaf s LYS 44 Cb 0.14 -2.80 0.90 0.00 -0.52 0.00 0.00 37.83 35.55 3gaf s LYS 44 CO 0.74 0.05 1.81 0.66 -0.92 0.00 0.00 175.35 177.69 3gaf h SER 45 N 7.28 0.00 0.32 2.83 4.64 -1.84 -2.87 113.55 123.91 3gaf h SER 45 Ca -0.33 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.97 3gaf h SER 45 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3gaf h SER 45 CO 0.59 0.12 -0.15 -0.33 -0.87 0.00 0.00 176.83 176.19 3gaf h GLU 46 N 0.00 -0.41 -0.62 4.77 3.07 -1.95 0.14 114.58 119.57 3gaf h GLU 46 Ca -0.00 0.03 0.02 0.00 -0.50 0.00 0.00 59.36 58.91 3gaf h GLU 46 Cb 0.76 0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 28.73 3gaf h GLU 46 CO 0.02 -0.24 0.39 0.78 -1.40 0.00 0.00 179.01 178.56 3gaf h GLY 47 N -0.47 0.89 0.95 -3.84 0.00 -1.93 -0.51 103.07 98.17 3gaf h GLY 47 Ca -0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 3gaf h GLY 47 CO 0.07 0.26 0.18 0.00 0.00 0.00 0.00 176.54 177.06 3gaf h ALA 48 N 1.26 0.49 -0.45 3.60 0.00 -1.46 -2.61 119.26 120.10 3gaf h ALA 48 Ca 0.25 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3gaf h ALA 48 Cb -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3gaf h ALA 48 CO -0.09 0.05 -0.05 1.49 0.00 0.00 0.00 179.25 180.65 3gaf h GLU 49 N 0.48 0.82 -0.60 0.00 4.57 -0.44 -1.90 114.58 117.52 3gaf h GLU 49 Ca 0.13 -0.29 0.11 0.00 -1.18 0.00 0.00 59.36 58.13 3gaf h GLU 49 Cb 0.12 -0.06 -0.08 0.00 -0.16 0.00 0.00 28.75 28.56 3gaf h GLU 49 CO -0.02 0.91 0.15 0.00 -1.18 0.00 0.00 179.01 178.87 3gaf h ALA 50 N 0.89 0.73 -0.24 2.92 0.00 -1.07 0.38 119.26 122.86 3gaf h ALA 50 Ca 0.12 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3gaf h ALA 50 Cb 0.57 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3gaf h ALA 50 CO 0.03 -0.28 0.04 0.28 0.00 0.00 0.00 179.25 179.33 3gaf h VAL 51 N 0.29 1.22 -0.89 0.00 2.07 -1.24 -1.86 116.25 115.86 3gaf h VAL 51 Ca 0.31 -0.75 0.05 0.00 0.82 0.00 0.00 66.70 67.13 3gaf h VAL 51 Cb 0.45 1.25 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 3gaf h VAL 51 CO -0.38 0.24 0.56 0.00 0.02 0.00 0.00 177.57 178.01 3gaf h ALA 52 N 0.86 1.20 -0.32 1.67 0.00 -0.96 -2.22 119.26 119.49 3gaf h ALA 52 Ca 0.07 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3gaf h ALA 52 Cb 0.32 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3gaf h ALA 52 CO 0.00 0.36 -0.01 0.00 0.00 0.00 0.00 179.25 179.61 3gaf h ALA 53 N 1.39 0.43 -0.29 0.00 0.00 -0.67 -1.35 119.26 118.77 3gaf h ALA 53 Ca 0.37 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3gaf h ALA 53 Cb 0.09 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3gaf h ALA 53 CO -0.15 0.19 0.11 0.00 0.00 0.00 0.00 179.25 179.41 3gaf h ALA 54 N 0.84 1.66 -0.00 0.00 0.00 -1.15 0.11 119.26 120.71 3gaf h ALA 54 Ca 0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gaf h ALA 54 Cb 0.46 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3gaf h ALA 54 CO 0.02 0.28 -0.00 0.82 0.00 0.00 0.00 179.25 180.36 3gaf h ILE 55 N 0.41 1.31 -0.56 0.00 2.04 -1.13 -2.01 117.51 117.57 3gaf h ILE 55 Ca 0.10 -0.93 0.08 0.00 1.00 0.00 0.00 64.86 65.12 3gaf h ILE 55 Cb 0.09 1.94 -0.07 0.00 -0.74 0.00 0.00 36.82 38.05 3gaf h ILE 55 CO -0.01 0.24 0.21 0.03 0.00 0.00 0.00 178.15 178.62 3gaf h ARG 56 N -0.39 0.38 -0.80 2.37 3.08 -0.91 -1.24 114.38 116.87 3gaf h ARG 56 Ca 0.00 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.10 3gaf h ARG 56 Cb 0.40 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.31 3gaf h ARG 56 CO 0.00 0.25 0.52 1.96 -1.07 0.00 0.00 179.97 181.63 3gaf h GLN 57 N 0.39 0.81 0.00 0.04 4.20 -0.77 -2.43 115.11 117.35 3gaf h GLN 57 Ca 0.28 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3gaf h GLN 57 Cb 0.32 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.91 3gaf h GLN 57 CO -0.28 0.54 0.00 0.00 -0.67 0.00 0.00 178.83 178.42 3gaf n ALA 58 N -2.43 2.25 0.00 3.87 0.00 -0.54 -4.87 120.51 118.79 3gaf n ALA 58 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3gaf n ALA 58 Cb 0.24 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 0.99 1.93 2.53 0.00 0.00 -0.91 -5.09 105.19 104.64 3gaf n GLY 59 Ca 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 3gaf n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gaf n GLY 60 N -0.39 -0.50 3.07 -0.02 0.00 -0.76 -4.98 105.19 101.61 3gaf n GLY 60 Ca 0.00 -1.83 -0.32 0.00 0.00 0.00 0.00 46.02 43.88 3gaf n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gaf s LYS 61 N -4.59 2.61 0.04 1.61 1.02 -1.26 -3.95 119.74 115.22 3gaf s LYS 61 Ca 0.47 -0.79 -0.10 0.00 0.02 0.00 0.00 55.97 55.58 3gaf s LYS 61 Cb -0.02 -2.43 0.00 0.00 -0.52 0.00 0.00 37.83 34.87 3gaf s LYS 61 CO 0.32 -0.27 0.20 0.00 -0.92 0.00 0.00 175.35 174.68 3gaf s ALA 62 N 1.35 -0.37 0.13 5.17 0.00 -1.26 -1.52 121.76 125.25 3gaf s ALA 62 Ca 0.03 -0.28 0.05 0.00 0.00 0.00 0.00 51.96 51.76 3gaf s ALA 62 Cb -0.14 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 3gaf s ALA 62 CO -0.11 -0.37 -0.13 0.96 0.00 0.00 0.00 175.76 176.11 3gaf s ILE 63 N -2.63 1.26 -0.06 0.00 -4.36 -0.84 -4.90 121.20 109.68 3gaf s ILE 63 Ca -0.05 -1.78 0.03 0.00 -0.26 0.00 0.00 60.65 58.60 3gaf s ILE 63 Cb -0.01 -1.57 0.00 0.00 1.25 0.00 0.00 42.46 42.14 3gaf s ILE 63 CO -0.04 -0.50 -0.17 -0.83 0.24 0.00 0.00 174.94 173.65 3gaf s GLY 64 N -2.59 0.95 0.03 6.27 0.00 -1.26 -0.66 107.32 110.06 3gaf s GLY 64 Ca 0.10 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.18 3gaf s GLY 64 CO 0.02 -0.17 -0.04 1.08 0.00 0.00 0.00 173.10 174.00 3gaf s LEU 65 N 0.34 2.32 0.18 0.66 1.43 0.47 -4.58 118.68 119.50 3gaf s LEU 65 Ca -0.11 -0.66 -0.30 0.00 -1.03 0.00 0.00 54.13 52.03 3gaf s LEU 65 Cb -0.14 0.09 -0.07 0.00 0.03 0.00 0.00 46.19 46.09 3gaf s LEU 65 CO 0.04 -0.38 0.95 -0.70 0.23 0.00 0.00 176.35 176.50 3gaf s GLU 66 N -2.24 4.77 -0.27 1.70 2.12 -1.26 -1.25 118.70 122.28 3gaf s GLU 66 Ca -0.08 1.48 -0.07 0.00 0.36 0.00 0.00 54.97 56.66 3gaf s GLU 66 Cb -0.04 -3.33 0.13 0.00 0.26 0.00 0.00 34.13 31.15 3gaf s GLU 66 CO -0.03 0.36 0.56 0.00 -0.54 0.00 0.00 175.26 175.61 3gaf s ASN 68 N 2.80 6.19 0.24 0.00 3.84 -1.26 -3.17 114.94 123.57 3gaf s ASN 68 Ca 0.01 -1.27 0.16 0.00 0.21 0.00 0.00 52.86 51.97 3gaf s ASN 68 Cb -0.13 -2.32 0.87 0.00 -0.55 0.00 0.00 41.25 39.13 3gaf s ASN 68 CO -0.18 -1.12 1.49 1.33 -2.79 0.00 0.00 177.10 175.84 3gaf n VAL 69 N 5.62 1.28 1.19 -5.21 0.24 -1.26 0.27 118.33 120.45 3gaf n VAL 69 Ca -0.08 0.67 0.13 0.00 -2.04 0.00 0.00 64.34 63.02 3gaf n VAL 69 Cb 0.43 -1.67 0.42 0.00 -1.47 0.00 0.00 33.84 31.55 3gaf n VAL 69 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3gaf n THR 70 N -2.06 0.00 -3.56 3.34 -2.24 -1.26 -4.54 114.28 103.96 3gaf n THR 70 Ca -0.01 -0.06 -0.38 0.00 -2.27 0.00 0.00 64.05 61.32 3gaf n THR 70 Cb 0.03 0.15 -0.11 0.00 -2.10 0.00 0.00 70.33 68.31 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 -2.69 6.06 0.21 3.42 -1.08 0.14 -5.00 116.67 117.73 3gaf s ASP 71 Ca 0.20 -0.03 -0.09 0.00 -0.52 0.00 0.00 52.55 52.11 3gaf s ASP 71 Cb 0.19 -2.13 0.30 0.00 -1.46 0.00 0.00 42.92 39.81 3gaf s ASP 71 CO 0.56 -0.10 1.73 -0.08 0.52 0.00 0.00 175.17 177.81 3gaf h GLU 72 N 8.37 0.35 -0.01 4.34 4.57 -1.87 -0.36 114.58 129.97 3gaf h GLU 72 Ca -0.34 -0.02 -0.14 0.00 -1.18 0.00 0.00 59.36 57.68 3gaf h GLU 72 Cb 1.18 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.67 3gaf h GLU 72 CO 0.57 0.23 -0.64 1.96 -1.18 0.00 0.00 179.01 179.95 3gaf h GLN 73 N 0.36 0.03 -0.13 1.92 7.50 -1.94 -1.63 115.11 121.22 3gaf h GLN 73 Ca 0.32 -0.02 -0.01 0.00 0.50 0.00 0.00 58.65 59.43 3gaf h GLN 73 Cb 0.42 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.95 3gaf h GLN 73 CO -0.34 0.66 0.04 0.45 -1.50 0.00 0.00 178.83 178.14 3gaf h HIS 74 N 0.02 0.21 -0.25 2.96 3.86 -1.73 -1.78 115.15 118.44 3gaf h HIS 74 Ca -0.01 -0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.22 3gaf h HIS 74 Cb 1.14 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 29.51 3gaf h HIS 74 CO 0.00 0.33 0.01 0.00 0.86 0.00 0.00 177.93 179.13 3gaf h ARG 75 N 0.03 0.09 -0.28 2.45 3.08 -0.84 -2.30 114.38 116.61 3gaf h ARG 75 Ca 0.04 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 3gaf h ARG 75 Cb 0.22 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 3gaf h ARG 75 CO -0.00 0.06 0.02 0.93 -1.07 0.00 0.00 179.97 179.91 3gaf h GLU 76 N 0.09 0.41 -0.68 0.04 5.08 -1.34 -2.92 114.58 115.26 3gaf h GLU 76 Ca 0.12 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 3gaf h GLU 76 Cb 0.15 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3gaf h GLU 76 CO -0.19 0.43 0.15 0.00 -1.00 0.00 0.00 179.01 178.40 3gaf h ALA 77 N 1.62 0.90 0.15 3.43 0.00 -0.77 -1.90 119.26 122.69 3gaf h ALA 77 Ca 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3gaf h ALA 77 Cb 0.24 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3gaf h ALA 77 CO 0.00 0.63 -0.07 0.28 0.00 0.00 0.00 179.25 180.09 3gaf h VAL 78 N 1.03 0.94 -0.67 0.00 2.07 -1.30 0.21 116.25 118.53 3gaf h VAL 78 Ca 0.21 -0.36 0.13 0.00 0.82 0.00 0.00 66.70 67.51 3gaf h VAL 78 Cb 0.39 1.16 -0.10 0.00 -1.52 0.00 0.00 31.29 31.22 3gaf h VAL 78 CO 0.00 0.09 0.15 0.40 0.02 0.00 0.00 177.57 178.23 3gaf h ILE 79 N -0.37 0.58 -0.24 4.57 1.08 -1.48 0.34 117.51 121.99 3gaf h ILE 79 Ca -0.02 -0.09 -0.02 0.00 -0.39 0.00 0.00 64.86 64.33 3gaf h ILE 79 Cb 0.29 0.29 -0.01 0.00 -3.07 0.00 0.00 36.82 34.32 3gaf h ILE 79 CO 0.03 0.05 0.06 0.11 -0.69 0.00 0.00 178.15 177.71 3gaf h LYS 80 N 0.27 0.39 -0.81 2.37 6.56 -1.09 -2.91 116.57 121.35 3gaf h LYS 80 Ca 0.36 -0.09 -0.02 0.00 -1.06 0.00 0.00 60.65 59.84 3gaf h LYS 80 Cb 0.58 -0.05 -0.04 0.00 -0.57 0.00 0.00 32.23 32.15 3gaf h LYS 80 CO -0.45 0.49 0.44 0.00 -2.06 0.00 0.00 179.45 177.87 3gaf h ALA 81 N 0.88 1.03 -0.04 3.86 0.00 0.14 -0.21 119.26 124.93 3gaf h ALA 81 Ca 0.08 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3gaf h ALA 81 Cb 0.28 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3gaf h ALA 81 CO 0.00 0.55 -0.08 0.00 0.00 0.00 0.00 179.25 179.72 3gaf h ALA 82 N 1.23 -0.06 -0.29 0.00 0.00 -0.93 -1.32 119.26 117.89 3gaf h ALA 82 Ca 0.28 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 3gaf h ALA 82 Cb 0.04 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3gaf h ALA 82 CO -0.05 -0.56 -0.14 -0.07 0.00 0.00 0.00 179.25 178.43 3gaf h LEU 83 N -0.13 0.63 -0.32 0.00 3.38 -1.30 -0.21 115.31 117.36 3gaf h LEU 83 Ca 0.05 -0.41 0.06 0.00 0.09 0.00 0.00 57.88 57.66 3gaf h LEU 83 Cb 0.19 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 3gaf h LEU 83 CO -0.11 0.90 -0.01 0.44 0.09 0.00 0.00 178.44 179.75 3gaf h ASP 84 N 0.35 -0.14 0.16 -0.43 3.32 -0.97 0.32 116.42 119.03 3gaf h ASP 84 Ca 0.06 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 3gaf h ASP 84 Cb 0.67 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.35 3gaf h ASP 84 CO 0.04 -0.04 -0.08 -0.61 -1.72 0.00 0.00 179.24 176.84 3gaf h GLN 85 N 0.09 -0.20 -0.00 3.56 5.75 -1.19 -3.40 115.11 119.71 3gaf h GLN 85 Ca 0.16 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.67 3gaf h GLN 85 Cb 0.21 0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.81 3gaf h GLN 85 CO -0.27 0.23 -0.22 1.19 -2.65 0.00 0.00 178.83 177.11 3gaf n PHE 86 N -4.95 0.00 -0.18 3.99 3.72 -0.10 -5.03 117.46 114.92 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 0.27 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 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 0.97 1.77 3.81 1.37 0.00 0.11 -4.97 105.19 108.26 3gaf n GLY 87 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.30 1.53 -0.09 1.61 -2.85 -1.26 -4.93 119.74 113.45 3gaf s LYS 88 Ca 0.00 -0.85 -0.01 0.00 -1.00 0.00 0.00 55.97 54.10 3gaf s LYS 88 Cb 0.00 0.52 0.03 0.00 -2.06 0.00 0.00 37.83 36.32 3gaf s LYS 88 CO 0.00 -0.70 -0.01 0.42 0.10 0.00 0.00 175.35 175.16 3gaf s ILE 89 N -3.57 0.50 0.00 3.79 1.01 -1.26 -4.55 121.20 117.12 3gaf s ILE 89 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.75 3gaf s ILE 89 Cb -0.04 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.76 3gaf s ILE 89 CO 0.05 0.23 0.00 0.35 0.00 0.00 0.00 174.94 175.57 3gaf n THR 90 N 5.10 0.00 -4.04 2.92 -2.24 -0.55 -3.37 114.28 112.09 3gaf n THR 90 Ca -0.08 -0.17 -0.18 0.00 -2.27 0.00 0.00 64.05 61.35 3gaf n THR 90 Cb 0.50 0.66 -0.16 0.00 -2.10 0.00 0.00 70.33 69.23 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 -1.58 0.34 -0.19 2.28 1.01 -0.25 -1.42 120.40 120.60 3gaf s VAL 91 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.98 3gaf s VAL 91 Cb 0.00 -0.40 0.03 0.00 0.00 0.00 0.00 36.38 36.01 3gaf s VAL 91 CO 0.00 0.18 -0.14 -0.22 0.00 0.00 0.00 175.10 174.92 3gaf s LEU 92 N 0.95 2.19 -0.36 3.92 2.96 -0.38 -0.88 118.68 127.08 3gaf s LEU 92 Ca -0.11 -0.76 -0.12 0.00 -0.22 0.00 0.00 54.13 52.92 3gaf s LEU 92 Cb -0.14 -1.32 0.01 0.00 0.50 0.00 0.00 46.19 45.25 3gaf s LEU 92 CO -0.01 -0.09 0.21 -0.69 -1.32 0.00 0.00 176.35 174.46 3gaf s VAL 93 N 1.36 4.79 -1.06 1.68 1.01 0.82 -0.03 120.40 128.98 3gaf s VAL 93 Ca 0.01 -0.63 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 3gaf s VAL 93 Cb -0.15 -3.59 0.15 0.00 0.00 0.00 0.00 36.38 32.79 3gaf s VAL 93 CO -0.10 -0.14 1.27 0.20 0.00 0.00 0.00 175.10 176.33 3gaf s ASN 94 N 1.61 6.84 -0.05 3.32 0.01 0.54 -2.22 114.94 125.00 3gaf s ASN 94 Ca 0.04 -2.50 0.17 0.00 -0.71 0.00 0.00 52.86 49.86 3gaf s ASN 94 Cb -0.18 -2.40 -0.26 0.00 0.41 0.00 0.00 41.25 38.81 3gaf s ASN 94 CO 0.08 -0.91 0.33 -3.20 -1.51 0.00 0.00 177.10 171.89 3gaf n ASN 95 N 6.12 0.98 -4.77 -1.22 5.15 -1.26 -1.72 115.26 118.54 3gaf n ASN 95 Ca 0.30 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.88 3gaf n ASN 95 Cb 0.46 1.66 -0.00 0.00 -0.53 0.00 0.00 39.78 41.37 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 -3.09 3.41 0.00 5.20 0.00 -1.24 -4.81 121.76 121.23 3gaf s ALA 96 Ca -0.07 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.27 3gaf s ALA 96 Cb 0.10 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.69 3gaf s ALA 96 CO 0.72 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.99 3gaf n GLY 97 N 0.63 -1.23 0.00 0.00 0.00 -1.26 -4.87 105.19 98.46 3gaf n GLY 97 Ca 0.02 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.53 0.00 -0.02 0.00 -1.26 -5.03 105.19 98.35 3gaf n GLY 98 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.55 1.23 0.00 -0.02 0.00 -1.26 -4.81 105.19 99.79 3gaf n GLY 99 Ca 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.08 -1.02 3.62 -0.02 0.00 -1.26 -5.07 105.19 100.36 3gaf n GLY 100 Ca 0.00 -0.79 -0.50 0.00 0.00 0.00 0.00 46.02 44.72 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 1.45 -4.01 1.61 -0.02 -1.26 -4.61 135.00 128.16 3gaf n PRO 101 Ca 0.00 0.52 -0.12 0.00 -2.02 0.00 0.00 63.50 61.89 3gaf n PRO 101 Cb 0.00 -2.21 -0.12 0.00 -0.02 0.00 0.00 33.50 31.15 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 0.65 0.34 0.67 -0.52 3.01 -0.52 -5.05 119.74 118.32 3gaf s LYS 102 Ca 0.83 -0.48 -0.11 0.00 -1.01 0.00 0.00 55.97 55.20 3gaf s LYS 102 Cb -0.87 -0.11 -0.00 0.00 -1.01 0.00 0.00 37.83 35.83 3gaf s LYS 102 CO 0.44 0.01 1.05 -1.25 0.51 0.00 0.00 175.35 176.12 3gaf s PRO 103 N -1.03 3.09 0.21 -1.68 0.04 -1.26 -4.29 135.00 130.08 3gaf s PRO 103 Ca -0.09 0.93 -0.09 0.00 0.04 0.00 0.00 61.00 61.79 3gaf s PRO 103 Cb -0.07 -2.01 0.27 0.00 0.04 0.00 0.00 34.50 32.73 3gaf s PRO 103 CO -0.00 -0.98 1.77 0.35 0.04 0.00 0.00 177.00 178.18 3gaf h PHE 104 N -0.57 0.52 0.00 0.56 3.57 -2.01 -2.42 116.94 116.59 3gaf h PHE 104 Ca -0.44 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.09 3gaf h PHE 104 Cb 1.21 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.81 3gaf h PHE 104 CO 0.63 0.19 0.00 -0.40 -2.23 0.00 0.00 178.31 176.49 3gaf n ASP 105 N -4.91 0.00 -4.45 0.41 5.68 -1.26 -4.93 116.55 107.08 3gaf n ASP 105 Ca 0.09 -0.97 -0.38 0.00 -0.50 0.00 0.00 54.79 53.03 3gaf n ASP 105 Cb 0.24 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.26 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 -0.54 0.45 -1.67 0.11 0.00 -0.91 -4.90 117.12 109.66 3gaf n MET 106 Ca 0.01 0.18 -0.39 0.00 0.00 0.00 0.00 57.70 57.50 3gaf n MET 106 Cb 0.00 -1.68 0.04 0.00 0.00 0.00 0.00 33.22 31.58 3gaf n MET 106 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 3gaf n PRO 107 N -0.06 1.34 0.05 3.17 -0.02 -1.26 -4.88 135.00 133.35 3gaf n PRO 107 Ca 0.11 0.50 0.09 0.00 -2.02 0.00 0.00 63.50 62.18 3gaf n PRO 107 Cb 0.48 -2.33 0.40 0.00 -0.02 0.00 0.00 33.50 32.02 3gaf n PRO 107 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 3gaf n MET 108 N -0.81 0.08 0.13 -0.52 1.56 -1.26 -2.02 117.12 114.29 3gaf n MET 108 Ca 0.11 0.31 -0.00 0.00 -0.27 0.00 0.00 57.70 57.85 3gaf n MET 108 Cb 0.45 -1.65 0.12 0.00 2.15 0.00 0.00 33.22 34.28 3gaf n MET 108 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 3gaf h SER 109 N 0.00 0.00 -0.03 6.12 4.64 -1.99 -2.94 113.55 119.35 3gaf h SER 109 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 3gaf h SER 109 Cb 0.32 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.42 3gaf h SER 109 CO 0.00 0.62 -0.60 0.44 -0.87 0.00 0.00 176.83 176.43 3gaf h ASP 110 N 0.00 0.58 -0.39 4.97 3.32 -1.77 -2.37 116.42 120.76 3gaf h ASP 110 Ca -0.01 -0.72 -0.01 0.00 0.02 0.00 0.00 57.03 56.32 3gaf h ASP 110 Cb 1.26 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 3gaf h ASP 110 CO 0.08 1.22 0.22 0.15 -1.72 0.00 0.00 179.24 179.19 3gaf h PHE 111 N -0.00 0.52 0.00 4.55 3.57 -1.58 -1.86 116.94 122.14 3gaf h PHE 111 Ca -0.07 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.37 3gaf h PHE 111 Cb 1.28 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 3gaf h PHE 111 CO 0.13 0.39 -0.29 0.93 -2.23 0.00 0.00 178.31 177.24 3gaf h GLU 112 N 0.50 0.00 -0.23 1.11 5.08 -1.61 -3.21 114.58 116.23 3gaf h GLU 112 Ca 0.14 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3gaf h GLU 112 Cb 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3gaf h GLU 112 CO -0.02 0.29 0.05 2.35 -1.00 0.00 0.00 179.01 180.67 3gaf h TRP 113 N 0.00 0.39 -0.88 4.33 2.91 -0.79 -0.88 115.95 121.03 3gaf h TRP 113 Ca -0.00 -0.05 0.16 0.00 1.13 0.00 0.00 58.89 60.13 3gaf h TRP 113 Cb 0.61 -0.11 -0.10 0.00 -0.51 0.00 0.00 29.16 29.06 3gaf h TRP 113 CO 0.00 0.49 0.45 0.00 -1.03 0.00 0.00 178.44 178.35 3gaf h ALA 114 N 0.86 1.35 -0.07 2.65 0.00 -1.49 0.43 119.26 122.99 3gaf h ALA 114 Ca 0.07 0.09 -0.23 0.00 0.00 0.00 0.00 54.91 54.85 3gaf h ALA 114 Cb 0.30 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.09 3gaf h ALA 114 CO 0.00 -0.11 -0.87 0.74 0.00 0.00 0.00 179.25 179.01 3gaf h PHE 115 N 0.62 0.86 -0.13 0.00 0.04 -1.59 0.45 116.94 117.19 3gaf h PHE 115 Ca 0.49 -0.42 0.01 0.00 2.80 0.00 0.00 57.97 60.85 3gaf h PHE 115 Cb 0.73 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.75 3gaf h PHE 115 CO -0.09 1.24 0.06 -0.22 -0.60 0.00 0.00 178.31 178.71 3gaf h LYS 116 N 0.39 0.14 0.01 1.51 3.11 -0.40 0.43 116.57 121.75 3gaf h LYS 116 Ca -0.07 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.74 3gaf h LYS 116 Cb 1.49 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.70 3gaf h LYS 116 CO 0.17 0.09 -0.08 1.25 -2.81 0.00 0.00 179.45 178.06 3gaf h LEU 117 N 0.14 0.06 0.00 5.20 6.46 -0.10 -2.79 115.31 124.29 3gaf h LEU 117 Ca 0.05 -0.88 -0.21 0.00 -0.12 0.00 0.00 57.88 56.73 3gaf h LEU 117 Cb 0.01 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 39.89 3gaf h LEU 117 CO -0.04 0.93 -1.11 0.78 -0.62 0.00 0.00 178.44 178.39 3gaf h ASN 118 N -0.80 0.00 0.00 1.25 2.35 -0.20 -3.40 115.58 114.78 3gaf h ASN 118 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3gaf h ASN 118 Cb 0.95 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.32 3gaf h ASN 118 CO 0.02 0.90 -0.29 -0.11 -1.65 0.00 0.00 177.43 176.29 3gaf n LEU 119 N -3.23 1.10 -0.22 1.61 7.94 -0.70 -4.58 117.00 118.91 3gaf n LEU 119 Ca -0.04 0.16 -0.01 0.00 -1.11 0.00 0.00 56.01 55.02 3gaf n LEU 119 Cb 0.93 -0.42 0.10 0.00 0.53 0.00 0.00 43.42 44.56 3gaf n LEU 119 CO 0.45 -0.56 1.05 -0.26 -1.11 0.00 0.00 177.39 176.97 3gaf h PHE 120 N -0.29 0.57 -0.15 1.96 0.04 -0.98 -1.00 116.94 117.08 3gaf h PHE 120 Ca 0.00 0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.85 3gaf h PHE 120 Cb 0.29 -0.16 -0.06 0.00 2.20 0.00 0.00 35.95 38.23 3gaf h PHE 120 CO -0.13 0.23 -0.21 0.66 -0.60 0.00 0.00 178.31 178.26 3gaf h SER 121 N 0.56 -0.66 0.79 2.17 4.64 -1.70 -1.39 113.55 117.96 3gaf h SER 121 Ca 0.30 0.11 -0.17 0.00 -0.47 0.00 0.00 61.79 61.57 3gaf h SER 121 Cb 0.28 0.30 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 3gaf h SER 121 CO -0.23 -0.26 -0.82 0.17 -0.87 0.00 0.00 176.83 174.82 3gaf h LEU 122 N -0.26 0.02 -0.02 5.97 8.10 -1.66 -0.55 115.31 126.91 3gaf h LEU 122 Ca 0.11 -0.02 -0.00 0.00 0.11 0.00 0.00 57.88 58.08 3gaf h LEU 122 Cb 0.42 -0.01 -0.00 0.00 -0.44 0.00 0.00 40.66 40.63 3gaf h LEU 122 CO -0.30 0.83 0.01 0.15 -4.11 0.00 0.00 178.44 175.01 3gaf h PHE 123 N 0.01 0.02 -0.10 0.17 3.57 -1.00 -0.95 116.94 118.66 3gaf h PHE 123 Ca -0.01 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3gaf h PHE 123 Cb 1.44 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.17 3gaf h PHE 123 CO 0.00 0.18 0.07 -0.09 -2.23 0.00 0.00 178.31 176.24 3gaf h ARG 124 N -0.14 0.13 -0.74 1.11 9.65 -1.16 -0.94 114.38 122.29 3gaf h ARG 124 Ca 0.01 -0.01 0.14 0.00 -1.10 0.00 0.00 59.98 59.01 3gaf h ARG 124 Cb 0.17 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.67 3gaf h ARG 124 CO -0.00 0.09 0.49 1.25 2.80 0.00 0.00 179.97 184.60 3gaf h LEU 125 N 0.14 0.42 -0.31 3.80 5.85 -1.09 -0.64 115.31 123.48 3gaf h LEU 125 Ca 0.04 0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.59 3gaf h LEU 125 Cb -0.01 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.95 3gaf h LEU 125 CO -0.01 0.22 -0.54 0.28 -0.34 0.00 0.00 178.44 178.05 3gaf h SER 126 N 0.45 0.97 -0.80 1.25 0.02 -0.55 -2.02 113.55 112.87 3gaf h SER 126 Ca 0.36 -0.52 0.02 0.00 -0.84 0.00 0.00 61.79 60.81 3gaf h SER 126 Cb 0.76 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.98 3gaf h SER 126 CO -0.12 1.32 0.52 1.56 -1.14 0.00 0.00 176.83 178.97 3gaf h GLN 127 N 0.67 1.02 -0.36 3.45 4.20 -0.18 -1.76 115.11 122.16 3gaf h GLN 127 Ca 0.02 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.52 3gaf h GLN 127 Cb 1.15 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 3gaf h GLN 127 CO 0.12 0.67 -0.37 -0.07 -0.67 0.00 0.00 178.83 178.52 3gaf h LEU 128 N 1.05 0.89 0.11 1.46 4.07 -1.08 -3.26 115.31 118.54 3gaf h LEU 128 Ca 0.30 -0.39 -0.29 0.00 0.08 0.00 0.00 57.88 57.58 3gaf h LEU 128 Cb -0.08 -0.25 0.02 0.00 1.08 0.00 0.00 40.66 41.44 3gaf h LEU 128 CO -0.08 1.16 -1.26 0.00 -1.08 0.00 0.00 178.44 177.18 3gaf h ALA 129 N 0.89 0.04 -0.52 1.53 0.00 -1.33 -3.39 119.26 116.47 3gaf h ALA 129 Ca 0.06 -0.81 0.08 0.00 0.00 0.00 0.00 54.91 54.24 3gaf h ALA 129 Cb 0.93 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.71 3gaf h ALA 129 CO 0.09 0.78 -0.45 0.00 0.00 0.00 0.00 179.25 179.67 3gaf h ALA 130 N 0.40 -0.42 -0.98 0.00 0.00 -1.36 -0.29 119.26 116.62 3gaf h ALA 130 Ca -0.18 0.08 0.24 0.00 0.00 0.00 0.00 54.91 55.06 3gaf h ALA 130 Cb 1.94 0.97 -0.12 0.00 0.00 0.00 0.00 17.79 20.58 3gaf h ALA 130 CO 0.23 -0.87 0.55 -1.35 0.00 0.00 0.00 179.25 177.81 3gaf h PRO 131 N -0.27 0.53 -0.06 0.00 0.11 -1.76 -0.75 132.00 129.79 3gaf h PRO 131 Ca 0.15 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 66.02 3gaf h PRO 131 Cb 0.57 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.56 3gaf h PRO 131 CO -0.65 0.35 -0.84 0.45 -0.21 0.00 0.00 178.00 177.09 3gaf h HIS 132 N 0.55 0.75 -0.68 0.65 3.86 -1.32 -2.21 115.15 116.74 3gaf h HIS 132 Ca 0.63 -0.36 -0.07 0.00 -1.16 0.00 0.00 60.37 59.40 3gaf h HIS 132 Cb 1.18 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 29.52 3gaf h HIS 132 CO -0.03 1.17 0.16 0.52 0.86 0.00 0.00 177.93 180.60 3gaf h MET 133 N 0.34 1.08 0.09 2.45 2.86 -0.42 -0.95 114.93 120.38 3gaf h MET 133 Ca -0.06 -0.26 0.01 0.00 -2.06 0.00 0.00 59.70 57.33 3gaf h MET 133 Cb 1.46 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.96 3gaf h MET 133 CO 0.15 0.96 -0.12 0.37 1.06 0.00 0.00 176.91 179.33 3gaf h GLN 134 N 1.03 -0.24 -0.72 1.72 4.15 -1.07 -0.25 115.11 119.72 3gaf h GLN 134 Ca 0.21 0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.74 3gaf h GLN 134 Cb 0.37 0.06 -0.05 0.00 0.21 0.00 0.00 27.48 28.07 3gaf h GLN 134 CO 0.00 -0.16 0.47 0.87 -1.93 0.00 0.00 178.83 178.08 3gaf h LYS 135 N -0.25 0.62 0.00 1.69 1.57 -1.20 0.22 116.57 119.22 3gaf h LYS 135 Ca 0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3gaf h LYS 135 Cb 0.26 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3gaf h LYS 135 CO -0.06 0.41 0.00 0.00 -0.57 0.00 0.00 179.45 179.23 3gaf n ALA 136 N -2.47 2.07 -2.47 3.86 0.00 -0.38 -4.92 120.51 116.21 3gaf n ALA 136 Ca 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 53.44 53.46 3gaf n ALA 136 Cb 0.32 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 0.75 0.84 0.00 0.00 0.00 0.79 -4.99 105.19 102.58 3gaf n GLY 137 Ca 0.07 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.60 4.00 3.56 -0.02 0.00 -0.20 -5.01 105.19 106.92 3gaf n GLY 138 Ca -0.00 -1.37 -0.10 0.00 0.00 0.00 0.00 46.02 44.55 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 0.75 -0.02 -0.02 0.00 -0.89 -4.78 107.32 102.36 3gaf s GLY 139 Ca 0.00 -1.03 0.03 0.00 0.00 0.00 0.00 44.72 43.72 3gaf s GLY 139 CO 0.00 -0.72 -0.12 0.00 0.00 0.00 0.00 173.10 172.26 3gaf s ALA 140 N -3.77 1.02 -0.10 3.20 0.00 -0.51 -0.78 121.76 120.83 3gaf s ALA 140 Ca 0.24 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 51.73 3gaf s ALA 140 Cb -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 3gaf s ALA 140 CO 0.11 0.22 -0.15 0.42 0.00 0.00 0.00 175.76 176.37 3gaf s ILE 141 N -0.15 2.93 -0.17 0.00 1.01 0.17 -1.25 121.20 123.74 3gaf s ILE 141 Ca 0.02 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 59.95 3gaf s ILE 141 Cb -0.06 -2.19 0.02 0.00 0.01 0.00 0.00 42.46 40.24 3gaf s ILE 141 CO -0.00 0.55 -0.17 -0.22 0.00 0.00 0.00 174.94 175.10 3gaf s LEU 142 N -0.05 1.92 -0.23 2.97 0.20 0.96 -1.28 118.68 123.17 3gaf s LEU 142 Ca -0.03 -0.57 -0.10 0.00 0.69 0.00 0.00 54.13 54.11 3gaf s LEU 142 Cb -0.14 -1.34 -0.05 0.00 -0.43 0.00 0.00 46.19 44.23 3gaf s LEU 142 CO 0.04 -0.03 0.15 0.20 -0.29 0.00 0.00 176.35 176.43 3gaf s ASN 143 N 1.38 6.13 -0.38 3.68 0.01 0.23 -0.34 114.94 125.66 3gaf s ASN 143 Ca 0.05 0.13 -0.24 0.00 -0.71 0.00 0.00 52.86 52.09 3gaf s ASN 143 Cb -0.13 -2.10 0.01 0.00 0.41 0.00 0.00 41.25 39.44 3gaf s ASN 143 CO -0.12 0.09 0.82 -0.63 -1.51 0.00 0.00 177.10 175.75 3gaf s ILE 144 N 0.94 4.68 0.00 0.60 -1.09 -0.70 -1.13 121.20 124.49 3gaf s ILE 144 Ca 0.08 0.90 0.00 0.00 -2.23 0.00 0.00 60.65 59.40 3gaf s ILE 144 Cb -0.13 -4.26 0.00 0.00 -1.58 0.00 0.00 42.46 36.49 3gaf s ILE 144 CO 0.03 -0.51 0.00 -0.24 -1.23 0.00 0.00 174.94 173.00 3gaf n SER 145 N 6.57 0.05 -3.84 3.58 2.88 0.13 -4.84 113.62 118.15 3gaf n SER 145 Ca 0.04 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.47 3gaf n SER 145 Cb 0.48 0.00 -0.09 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 -0.36 -0.01 0.53 -3.46 0.15 -1.26 -4.39 113.70 104.90 3gaf s SER 146 Ca 0.00 -0.24 0.35 0.00 0.70 0.00 0.00 55.95 56.77 3gaf s SER 146 Cb 0.00 0.27 1.91 0.00 -1.71 0.00 0.00 66.02 66.49 3gaf s SER 146 CO 0.00 -0.48 2.08 0.24 1.20 0.00 0.00 173.24 176.28 3gaf h MET 147 N 3.76 0.00 0.00 5.44 2.86 -1.85 -0.76 114.93 124.39 3gaf h MET 147 Ca -0.31 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 3gaf h MET 147 Cb 1.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.85 3gaf h MET 147 CO 0.44 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.41 3gaf h ALA 148 N 2.00 1.00 0.00 6.32 0.00 -1.92 -0.20 119.26 126.46 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 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3gaf h ALA 148 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 179.25 180.03 3gaf h GLY 149 N 1.93 0.00 0.00 0.00 0.00 -1.28 -3.23 103.07 100.48 3gaf h GLY 149 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gaf h GLY 149 CO 0.00 0.00 -0.99 1.18 0.00 0.00 0.00 176.54 176.73 3gaf n GLU 150 N -3.01 1.68 -2.15 4.80 1.02 -0.92 -3.86 120.64 118.20 3gaf n GLU 150 Ca -0.01 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.84 3gaf n GLU 150 Cb 0.18 -0.99 0.03 0.00 -0.02 0.00 0.00 31.44 30.63 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 -2.38 5.67 -0.06 1.62 0.01 -0.13 -5.09 114.94 114.57 3gaf s ASN 151 Ca 0.00 0.99 0.02 0.00 -0.71 0.00 0.00 52.86 53.16 3gaf s ASN 151 Cb 0.00 -1.94 0.01 0.00 0.41 0.00 0.00 41.25 39.73 3gaf s ASN 151 CO 0.00 -1.11 -0.12 0.42 -1.51 0.00 0.00 177.10 174.78 3gaf s THR 152 N -3.14 1.11 0.25 1.60 -4.23 -1.26 -4.80 115.64 105.16 3gaf s THR 152 Ca 0.55 -0.47 -0.21 0.00 -1.18 0.00 0.00 61.69 60.38 3gaf s THR 152 Cb -0.11 -1.02 0.06 0.00 1.34 0.00 0.00 72.50 72.78 3gaf s THR 152 CO 0.49 0.35 0.92 0.21 -0.54 0.00 0.00 174.62 176.05 3gaf s ASN 153 N 0.62 -0.06 0.57 3.99 3.84 -1.26 -5.15 114.94 117.50 3gaf s ASN 153 Ca -0.14 -0.75 -0.18 0.00 0.21 0.00 0.00 52.86 52.00 3gaf s ASN 153 Cb -0.15 0.62 -0.04 0.00 -0.55 0.00 0.00 41.25 41.13 3gaf s ASN 153 CO 0.03 -1.22 1.12 0.54 -2.79 0.00 0.00 177.10 174.78 3gaf s VAL 154 N -2.62 3.26 -1.44 -5.21 0.11 -1.26 -3.76 120.40 109.47 3gaf s VAL 154 Ca 0.17 0.72 0.00 0.00 -2.93 0.00 0.00 61.98 59.94 3gaf s VAL 154 Cb -0.03 -3.25 0.00 0.00 -1.53 0.00 0.00 36.38 31.56 3gaf s VAL 154 CO 0.07 -0.23 0.00 0.54 -3.33 0.00 0.00 175.10 172.14 3gaf n ARG 155 N -1.61 -0.98 -0.15 1.54 1.74 -1.26 -4.90 116.66 111.04 3gaf n ARG 155 Ca 0.11 0.95 0.05 0.00 -0.77 0.00 0.00 57.85 58.20 3gaf n ARG 155 Cb 0.51 -5.06 0.12 0.00 -1.02 0.00 0.00 32.46 27.01 3gaf n ARG 155 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 3gaf n MET 156 N -2.57 2.60 -0.30 5.56 1.56 -1.25 -1.44 117.12 121.28 3gaf n MET 156 Ca -0.14 -2.13 0.09 0.00 -0.27 0.00 0.00 57.70 55.26 3gaf n MET 156 Cb 0.47 -1.33 0.21 0.00 2.15 0.00 0.00 33.22 34.72 3gaf n MET 156 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3gaf h ALA 157 N 0.90 0.94 0.06 -5.12 0.00 -1.86 -0.21 119.26 113.98 3gaf h ALA 157 Ca 0.00 0.29 -0.38 0.00 0.00 0.00 0.00 54.91 54.83 3gaf h ALA 157 Cb 0.84 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 19.11 3gaf h ALA 157 CO 0.04 -0.48 -2.21 -1.13 0.00 0.00 0.00 179.25 175.47 3gaf n SER 158 N -5.42 2.04 0.10 0.00 3.41 -1.26 -3.58 113.62 108.91 3gaf n SER 158 Ca 0.18 0.06 -0.11 0.00 -0.26 0.00 0.00 58.87 58.75 3gaf n SER 158 Cb 0.60 -0.66 -0.07 0.00 -0.26 0.00 0.00 64.21 63.82 3gaf n SER 158 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3gaf h TYR 159 N -0.04 -0.30 -0.63 7.33 3.20 -1.81 -2.25 116.97 122.47 3gaf h TYR 159 Ca -0.50 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.44 3gaf h TYR 159 Cb 1.93 0.10 -0.07 0.00 1.54 0.00 0.00 36.73 40.23 3gaf h TYR 159 CO 0.05 0.07 0.28 0.78 -1.64 0.00 0.00 178.16 177.71 3gaf h GLY 160 N -0.90 0.91 1.65 1.82 0.00 -1.25 -2.20 103.07 103.10 3gaf h GLY 160 Ca -0.03 -0.17 -0.18 0.00 0.00 0.00 0.00 47.33 46.95 3gaf h GLY 160 CO 0.05 0.04 -0.72 1.48 0.00 0.00 0.00 176.54 177.39 3gaf h SER 161 N 0.50 0.40 0.20 0.19 4.64 -1.61 -1.16 113.55 116.72 3gaf h SER 161 Ca 0.31 -0.26 -0.11 0.00 -0.47 0.00 0.00 61.79 61.26 3gaf h SER 161 Cb 0.33 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 3gaf h SER 161 CO -0.26 0.99 -0.40 0.77 -0.87 0.00 0.00 176.83 177.06 3gaf h SER 162 N 0.23 0.28 -0.10 4.97 4.64 -1.24 -2.12 113.55 120.20 3gaf h SER 162 Ca -0.03 -0.11 -0.11 0.00 -0.47 0.00 0.00 61.79 61.07 3gaf h SER 162 Cb 1.28 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3gaf h SER 162 CO 0.12 0.65 -0.36 0.11 -0.87 0.00 0.00 176.83 176.48 3gaf h LYS 163 N 0.22 0.42 -0.80 4.77 1.79 -1.30 -1.07 116.57 120.60 3gaf h LYS 163 Ca 0.02 -0.32 0.15 0.00 -2.18 0.00 0.00 60.65 58.33 3gaf h LYS 163 Cb 0.80 0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 31.45 3gaf h LYS 163 CO 0.06 0.94 0.53 0.00 -1.08 0.00 0.00 179.45 179.91 3gaf h ALA 164 N 0.48 2.06 -0.33 3.86 0.00 -1.21 0.16 119.26 124.27 3gaf h ALA 164 Ca -0.02 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 3gaf h ALA 164 Cb 0.99 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3gaf h ALA 164 CO 0.08 -0.28 -0.47 0.00 0.00 0.00 0.00 179.25 178.58 3gaf h ALA 165 N 1.63 0.54 -0.97 0.00 0.00 -1.21 -2.61 119.26 116.64 3gaf h ALA 165 Ca 0.40 -0.49 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3gaf h ALA 165 Cb 0.85 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 3gaf h ALA 165 CO -0.14 0.68 0.64 0.28 0.00 0.00 0.00 179.25 180.71 3gaf h VAL 166 N 0.70 1.24 -0.71 0.00 2.07 0.25 -1.80 116.25 118.00 3gaf h VAL 166 Ca 0.04 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.12 3gaf h VAL 166 Cb 1.07 -0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 3gaf h VAL 166 CO 0.11 0.24 0.47 0.78 0.02 0.00 0.00 177.57 179.19 3gaf h ASN 167 N 1.31 0.82 0.62 0.57 4.21 -0.91 -2.10 115.58 120.10 3gaf h ASN 167 Ca 0.36 -0.02 -0.27 0.00 1.21 0.00 0.00 56.30 57.57 3gaf h ASN 167 Cb -0.13 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 36.84 3gaf h ASN 167 CO -0.08 0.60 -1.38 -0.74 -1.29 0.00 0.00 177.43 174.54 3gaf h HIS 168 N 0.97 0.28 -0.50 1.19 2.76 -1.31 -2.48 115.15 116.06 3gaf h HIS 168 Ca 0.26 -0.20 0.03 0.00 -2.20 0.00 0.00 60.37 58.26 3gaf h HIS 168 Cb -0.11 -0.01 -0.04 0.00 1.55 0.00 0.00 27.41 28.80 3gaf h HIS 168 CO -0.02 1.22 0.29 1.25 -1.30 0.00 0.00 177.93 179.36 3gaf h LEU 169 N 0.04 0.46 -0.60 0.26 7.12 -1.35 -0.31 115.31 120.93 3gaf h LEU 169 Ca -0.17 0.01 0.12 0.00 0.13 0.00 0.00 57.88 57.97 3gaf h LEU 169 Cb 1.95 -0.09 -0.09 0.00 -0.53 0.00 0.00 40.66 41.90 3gaf h LEU 169 CO 0.15 0.32 0.08 0.74 -0.13 0.00 0.00 178.44 179.60 3gaf h THR 170 N 0.57 0.58 -0.01 1.05 2.02 -1.26 0.14 112.91 115.99 3gaf h THR 170 Ca 0.20 -0.07 -0.14 0.00 0.77 0.00 0.00 66.41 67.18 3gaf h THR 170 Cb 0.04 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 3gaf h THR 170 CO -0.10 0.04 -0.63 0.03 0.37 0.00 0.00 175.52 175.22 3gaf h ARG 171 N 0.20 0.04 0.07 6.66 3.08 -0.83 -3.15 114.38 120.45 3gaf h ARG 171 Ca 0.32 -0.03 -0.27 0.00 0.07 0.00 0.00 59.98 60.07 3gaf h ARG 171 Cb 0.50 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 3gaf h ARG 171 CO -0.45 0.66 -1.46 -0.91 -1.07 0.00 0.00 179.97 176.74 3gaf h ASN 172 N 0.03 0.22 0.60 7.04 4.21 -0.67 -3.37 115.58 123.63 3gaf h ASN 172 Ca -0.01 -0.74 -0.01 0.00 1.21 0.00 0.00 56.30 56.75 3gaf h ASN 172 Cb 1.13 -0.07 -0.00 0.00 -1.12 0.00 0.00 38.32 38.26 3gaf h ASN 172 CO 0.09 1.61 -0.04 0.16 -1.29 0.00 0.00 177.43 177.96 3gaf h ILE 173 N -0.52 0.15 -0.57 2.81 3.07 -0.85 -0.94 117.51 120.66 3gaf h ILE 173 Ca -0.35 -0.41 0.15 0.00 1.55 0.00 0.00 64.86 65.80 3gaf h ILE 173 Cb 1.62 1.35 -0.03 0.00 -0.27 0.00 0.00 36.82 39.49 3gaf h ILE 173 CO -0.05 0.04 0.41 0.00 -1.05 0.00 0.00 178.15 177.49 3gaf h ALA 174 N 1.96 2.43 -0.23 0.16 0.00 -1.71 0.13 119.26 122.00 3gaf h ALA 174 Ca -0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 3gaf h ALA 174 Cb 0.35 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3gaf h ALA 174 CO 0.01 -0.59 -0.63 0.74 0.00 0.00 0.00 179.25 178.78 3gaf h PHE 175 N 0.08 1.04 -0.25 0.00 -1.00 -1.36 -1.81 116.94 113.64 3gaf h PHE 175 Ca 0.27 -0.40 -0.05 0.00 2.81 0.00 0.00 57.97 60.60 3gaf h PHE 175 Cb 0.98 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 40.34 3gaf h PHE 175 CO -0.00 1.22 -0.04 -0.44 -1.61 0.00 0.00 178.31 177.45 3gaf h ASP 176 N 0.60 0.46 -0.02 2.17 3.45 -1.12 -3.35 116.42 118.61 3gaf h ASP 176 Ca -0.01 -0.34 0.00 0.00 0.43 0.00 0.00 57.03 57.11 3gaf h ASP 176 Cb 1.23 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.88 3gaf h ASP 176 CO 0.13 0.69 -0.22 1.33 -1.57 0.00 0.00 179.24 179.60 3gaf n VAL 177 N -4.59 0.00 -0.00 -1.35 0.24 0.29 -4.34 118.33 108.58 3gaf n VAL 177 Ca -0.04 -0.39 -0.10 0.00 -2.04 0.00 0.00 64.34 61.77 3gaf n VAL 177 Cb 0.28 1.27 -0.05 0.00 -1.47 0.00 0.00 33.84 33.87 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 3.66 0.08 2.00 7.63 0.00 -1.33 -0.64 103.07 114.48 3gaf h GLY 178 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3gaf h GLY 178 CO 0.00 -0.03 0.00 -2.55 0.00 0.00 0.00 176.54 173.96 3gaf h PRO 179 N 0.01 0.00 -0.02 4.80 0.11 -1.78 -0.26 132.00 134.86 3gaf h PRO 179 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3gaf h PRO 179 Cb 0.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.18 3gaf h PRO 179 CO -0.10 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 176.36 3gaf n MET 180 N -2.75 1.44 -0.47 1.05 2.81 -0.68 -4.90 117.12 113.63 3gaf n MET 180 Ca -0.02 -0.64 0.00 0.00 -1.81 0.00 0.00 57.70 55.23 3gaf n MET 180 Cb 0.10 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 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 1.11 0.74 3.37 3.03 0.00 -0.11 -4.35 105.19 108.98 3gaf n GLY 181 Ca 0.20 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 3.09 0.06 -0.61 1.01 -0.33 -2.09 121.20 120.32 3gaf s ILE 182 Ca 0.00 -0.65 -0.05 0.00 0.00 0.00 0.00 60.65 59.96 3gaf s ILE 182 Cb 0.00 -2.30 -0.05 0.00 0.01 0.00 0.00 42.46 40.12 3gaf s ILE 182 CO 0.00 0.52 0.29 -0.13 0.00 0.00 0.00 174.94 175.62 3gaf s ARG 183 N 0.39 3.57 -0.16 2.79 0.52 0.04 -3.37 118.95 122.74 3gaf s ARG 183 Ca -0.10 -0.14 -0.04 0.00 -0.52 0.00 0.00 55.73 54.93 3gaf s ARG 183 Cb -0.16 -3.00 0.05 0.00 0.52 0.00 0.00 34.95 32.36 3gaf s ARG 183 CO 0.05 0.59 0.06 0.08 0.02 0.00 0.00 175.30 176.10 3gaf s VAL 184 N -1.45 0.19 0.38 3.52 1.01 -1.26 0.42 120.40 123.21 3gaf s VAL 184 Ca 0.33 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.12 3gaf s VAL 184 Cb -0.13 -0.70 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 3gaf s VAL 184 CO 0.21 -0.16 0.06 0.20 0.00 0.00 0.00 175.10 175.41 3gaf s ASN 185 N 2.02 2.90 0.05 3.32 0.01 -0.40 0.09 114.94 122.92 3gaf s ASN 185 Ca 0.01 -1.48 0.02 0.00 -0.71 0.00 0.00 52.86 50.70 3gaf s ASN 185 Cb -0.16 0.09 -0.03 0.00 0.41 0.00 0.00 41.25 41.57 3gaf s ASN 185 CO -0.08 -0.69 -0.07 0.00 -1.51 0.00 0.00 177.10 174.75 3gaf s ALA 186 N -3.14 0.60 -0.14 0.60 0.00 0.67 -0.60 121.76 119.75 3gaf s ALA 186 Ca 0.29 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.39 3gaf s ALA 186 Cb 0.07 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 3gaf s ALA 186 CO 0.14 -0.08 -0.16 0.42 0.00 0.00 0.00 175.76 176.08 3gaf s ILE 187 N -1.88 2.70 -0.51 0.00 1.01 -0.28 -1.33 121.20 120.91 3gaf s ILE 187 Ca -0.06 -0.77 -0.16 0.00 0.00 0.00 0.00 60.65 59.66 3gaf s ILE 187 Cb -0.07 -2.12 0.10 0.00 0.01 0.00 0.00 42.46 40.38 3gaf s ILE 187 CO -0.01 0.52 0.46 0.00 0.00 0.00 0.00 174.94 175.91 3gaf s ALA 188 N 0.58 3.60 0.34 9.38 0.00 -0.47 -0.69 121.76 134.49 3gaf s ALA 188 Ca -0.09 -2.31 -0.24 0.00 0.00 0.00 0.00 51.96 49.32 3gaf s ALA 188 Cb -0.16 -3.18 -0.10 0.00 0.00 0.00 0.00 23.12 19.68 3gaf s ALA 188 CO 0.03 -1.89 0.92 -1.25 0.00 0.00 0.00 175.76 173.58 3gaf s PRO 189 N 1.67 4.45 0.00 0.00 0.04 -1.26 -1.08 135.00 138.82 3gaf s PRO 189 Ca 0.04 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.30 3gaf s PRO 189 Cb -0.27 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.63 3gaf s PRO 189 CO 0.05 0.21 0.00 0.41 0.04 0.00 0.00 177.00 177.71 3gaf n GLY 190 N 0.25 -0.85 3.67 0.56 0.00 -0.47 -4.23 105.19 104.13 3gaf n GLY 190 Ca 0.03 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 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 -3.86 3.63 -0.28 4.61 0.00 -1.26 -4.90 121.76 119.69 3gaf s ALA 191 Ca 0.00 1.06 -0.13 0.00 0.00 0.00 0.00 51.96 52.89 3gaf s ALA 191 Cb 0.00 -3.74 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 3gaf s ALA 191 CO 0.00 -1.34 0.27 0.42 0.00 0.00 0.00 175.76 175.12 3gaf s ILE 192 N 3.72 5.25 -0.55 0.00 -1.09 -1.26 -1.66 121.20 125.61 3gaf s ILE 192 Ca 0.75 0.31 -0.27 0.00 -2.23 0.00 0.00 60.65 59.22 3gaf s ILE 192 Cb -0.36 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 36.86 3gaf s ILE 192 CO 0.32 0.18 2.03 -1.59 -1.23 0.00 0.00 174.94 174.65 3gaf s LYS 193 N 1.90 2.53 0.45 2.79 -2.85 -0.36 -4.92 119.74 119.29 3gaf s LYS 193 Ca 0.10 0.94 0.01 0.00 -1.00 0.00 0.00 55.97 56.03 3gaf s LYS 193 Cb -0.16 -4.43 -0.01 0.00 -2.06 0.00 0.00 37.83 31.17 3gaf s LYS 193 CO 0.11 -2.82 0.05 -2.37 0.10 0.00 0.00 175.35 170.42 3gaf n THR 194 N 7.47 0.00 -1.51 3.79 5.66 -1.26 -4.73 114.28 123.71 3gaf n THR 194 Ca 0.26 -2.30 -0.15 0.00 -3.05 0.00 0.00 64.05 58.80 3gaf n THR 194 Cb 0.52 0.60 -0.12 0.00 -1.55 0.00 0.00 70.33 69.78 3gaf n THR 194 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3gaf n ASP 195 N -1.39 0.43 0.00 1.09 5.68 -1.26 -5.23 116.55 115.88 3gaf n ASP 195 Ca -0.15 -1.27 0.00 0.00 -0.50 0.00 0.00 54.79 52.87 3gaf n ASP 195 Cb 0.61 -1.23 0.00 0.00 -1.14 0.00 0.00 41.12 39.36 3gaf n ASP 195 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3gaf n THR 202 N 7.48 0.00 0.00 2.12 -2.24 -1.26 -5.25 114.28 115.13 3gaf n THR 202 Ca 0.50 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.28 3gaf n THR 202 Cb 0.34 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 3gaf n THR 202 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3gaf n PRO 203 N 0.00 0.00 -0.09 -0.78 -0.02 -1.26 -1.06 135.00 131.79 3gaf n PRO 203 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 3gaf n PRO 203 Cb 0.00 -0.98 -0.11 0.00 -0.02 0.00 0.00 33.50 32.39 3gaf n PRO 203 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3gaf n GLU 204 N -0.20 0.88 0.17 -0.52 1.02 -1.26 -4.38 120.64 116.35 3gaf n GLU 204 Ca 0.00 0.07 0.03 0.00 -0.02 0.00 0.00 57.16 57.24 3gaf n GLU 204 Cb 0.00 -1.41 0.26 0.00 -0.02 0.00 0.00 31.44 30.27 3gaf n GLU 204 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 3gaf h ILE 205 N 0.00 1.06 -0.68 -3.67 6.09 -1.54 -3.26 117.51 115.52 3gaf h ILE 205 Ca -0.45 -1.79 -0.05 0.00 -1.37 0.00 0.00 64.86 61.20 3gaf h ILE 205 Cb 1.83 2.05 -0.03 0.00 0.47 0.00 0.00 36.82 41.14 3gaf h ILE 205 CO -0.03 0.46 0.22 -0.08 -3.07 0.00 0.00 178.15 175.64 3gaf h GLU 206 N 0.00 1.05 0.00 2.19 4.81 -1.76 -0.40 114.58 120.47 3gaf h GLU 206 Ca -0.00 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 58.98 3gaf h GLU 206 Cb 1.01 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.23 3gaf h GLU 206 CO 0.06 0.91 -0.12 0.00 -0.73 0.00 0.00 179.01 179.13 3gaf h ARG 207 N 0.98 0.00 0.00 1.92 3.08 -1.76 -2.47 114.38 116.14 3gaf h ARG 207 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 3gaf h ARG 207 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3gaf h ARG 207 CO -0.01 0.12 -1.32 0.00 -1.07 0.00 0.00 179.97 177.69 3gaf n ALA 208 N -2.29 3.73 0.10 0.04 0.00 -0.97 -3.44 120.51 117.67 3gaf n ALA 208 Ca -0.02 -0.51 -0.03 0.00 0.00 0.00 0.00 53.44 52.87 3gaf n ALA 208 Cb 0.23 -0.83 0.16 0.00 0.00 0.00 0.00 19.45 19.01 3gaf n ALA 208 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3gaf h MET 209 N 0.00 0.18 -0.50 0.00 2.86 -0.75 -3.34 114.93 113.38 3gaf h MET 209 Ca 0.00 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 3gaf h MET 209 Cb 0.73 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.40 3gaf h MET 209 CO 0.00 0.70 0.00 1.28 1.06 0.00 0.00 176.91 179.95 3gaf n LEU 210 N -3.89 5.25 0.18 1.22 4.77 -0.96 -3.46 117.00 120.11 3gaf n LEU 210 Ca -0.02 -2.94 0.03 0.00 -0.03 0.00 0.00 56.01 53.05 3gaf n LEU 210 Cb 0.59 -0.65 0.41 0.00 -2.33 0.00 0.00 43.42 41.44 3gaf n LEU 210 CO 0.43 0.65 0.81 0.11 -1.33 0.00 0.00 177.39 178.06 3gaf h LYS 211 N 3.44 0.06 -0.05 3.23 1.79 -1.68 -2.95 116.57 120.40 3gaf h LYS 211 Ca 0.00 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.43 3gaf h LYS 211 Cb 1.83 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 32.46 3gaf h LYS 211 CO 0.42 0.32 -0.37 0.72 -1.08 0.00 0.00 179.45 179.45 3gaf n HIS 212 N -4.21 0.16 -3.76 -1.35 8.25 -1.26 -4.94 115.22 108.11 3gaf n HIS 212 Ca -0.02 -1.45 -0.36 0.00 -0.26 0.00 0.00 57.72 55.63 3gaf n HIS 212 Cb 0.33 -0.27 -0.11 0.00 1.12 0.00 0.00 29.99 31.05 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 -3.19 3.34 0.32 1.59 2.01 -1.12 -3.18 115.64 115.42 3gaf s THR 213 Ca 0.38 -2.03 0.10 0.00 0.31 0.00 0.00 61.69 60.45 3gaf s THR 213 Cb 0.36 -3.28 0.31 0.00 0.01 0.00 0.00 72.50 69.90 3gaf s THR 213 CO -0.05 -0.69 1.71 -0.65 -0.69 0.00 0.00 174.62 174.25 3gaf h PRO 214 N 8.08 0.48 0.00 4.92 0.11 -1.81 0.72 132.00 144.50 3gaf h PRO 214 Ca -0.14 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3gaf h PRO 214 Cb 1.05 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3gaf h PRO 214 CO 0.71 0.32 0.00 1.28 -0.21 0.00 0.00 178.00 180.10 3gaf n LEU 215 N -4.95 0.25 -2.22 2.35 4.77 -0.87 -4.94 117.00 111.39 3gaf n LEU 215 Ca 0.27 0.53 -0.17 0.00 -0.03 0.00 0.00 56.01 56.62 3gaf n LEU 215 Cb 0.78 -0.46 0.02 0.00 -2.33 0.00 0.00 43.42 41.43 3gaf n LEU 215 CO 0.14 -0.14 -0.04 0.61 -1.33 0.00 0.00 177.39 176.63 3gaf n GLY 216 N 1.04 -0.24 3.30 -0.72 0.00 0.25 -5.02 105.19 103.80 3gaf n GLY 216 Ca 0.06 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 -5.28 1.02 0.78 1.61 1.70 -1.26 -5.11 118.95 112.41 3gaf s ARG 217 Ca 0.18 -0.71 -0.11 0.00 -0.47 0.00 0.00 55.73 54.61 3gaf s ARG 217 Cb -0.08 0.44 0.06 0.00 -0.57 0.00 0.00 34.95 34.80 3gaf s ARG 217 CO 0.22 -0.38 1.09 -0.51 -1.08 0.00 0.00 175.30 174.64 3gaf s LEU 218 N -2.73 2.71 0.67 -1.89 1.02 -1.26 -4.89 118.68 112.30 3gaf s LEU 218 Ca 0.02 1.37 -0.11 0.00 0.02 0.00 0.00 54.13 55.44 3gaf s LEU 218 Cb 0.02 -4.04 -0.01 0.00 0.02 0.00 0.00 46.19 42.18 3gaf s LEU 218 CO -0.11 -1.87 1.06 -0.83 0.02 0.00 0.00 176.35 174.62 3gaf s GLY 219 N -3.88 1.65 0.13 -3.19 0.00 -0.66 -4.82 107.32 96.55 3gaf s GLY 219 Ca 0.60 -0.14 0.05 0.00 0.00 0.00 0.00 44.72 45.22 3gaf s GLY 219 CO 0.54 0.17 0.10 -0.54 0.00 0.00 0.00 173.10 173.37 3gaf s GLU 220 N -5.21 2.82 0.54 2.90 0.41 -1.26 -1.22 118.70 117.68 3gaf s GLU 220 Ca 0.57 -0.83 0.23 0.00 -0.41 0.00 0.00 54.97 54.53 3gaf s GLU 220 Cb -0.12 -2.64 1.40 0.00 -1.78 0.00 0.00 34.13 30.99 3gaf s GLU 220 CO 0.54 0.51 2.05 0.00 -0.49 0.00 0.00 175.26 177.87 3gaf h ALA 221 N 2.80 2.26 0.00 5.21 0.00 -1.93 -1.73 119.26 125.87 3gaf h ALA 221 Ca -0.47 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 3gaf h ALA 221 Cb 1.19 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3gaf h ALA 221 CO 0.63 -0.42 -0.37 0.37 0.00 0.00 0.00 179.25 179.47 3gaf h GLN 222 N 0.00 0.00 -0.32 0.00 5.75 -1.94 -2.46 115.11 116.14 3gaf h GLN 222 Ca 0.16 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.67 3gaf h GLN 222 Cb 0.65 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.18 3gaf h GLN 222 CO -0.00 0.37 0.19 -0.44 -2.65 0.00 0.00 178.83 176.30 3gaf h ASP 223 N 0.00 0.32 -0.50 -0.69 3.32 -1.72 -0.56 116.42 116.60 3gaf h ASP 223 Ca -0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3gaf h ASP 223 Cb 0.66 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 3gaf h ASP 223 CO 0.05 0.23 0.21 0.40 -1.72 0.00 0.00 179.24 178.41 3gaf h ILE 224 N 0.40 1.21 -0.39 0.35 1.08 -1.56 -2.47 117.51 116.12 3gaf h ILE 224 Ca 0.13 -0.63 -0.10 0.00 -0.39 0.00 0.00 64.86 63.87 3gaf h ILE 224 Cb -0.01 0.70 -0.02 0.00 -3.07 0.00 0.00 36.82 34.43 3gaf h ILE 224 CO -0.05 0.24 -0.15 0.00 -0.69 0.00 0.00 178.15 177.49 3gaf h ALA 225 N 1.05 1.00 -0.66 1.87 0.00 -1.23 0.15 119.26 121.44 3gaf h ALA 225 Ca 0.17 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.77 3gaf h ALA 225 Cb 0.18 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3gaf h ALA 225 CO -0.02 0.59 0.41 -0.91 0.00 0.00 0.00 179.25 179.33 3gaf h ASN 226 N 0.64 0.68 -0.37 0.00 2.35 -1.02 0.14 115.58 117.99 3gaf h ASN 226 Ca 0.10 -0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.73 3gaf h ASN 226 Cb 0.62 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 3gaf h ASN 226 CO 0.04 0.47 -0.23 0.00 -1.65 0.00 0.00 177.43 176.07 3gaf h ALA 227 N 1.28 0.53 -0.70 -0.83 0.00 -0.93 -2.37 119.26 116.23 3gaf h ALA 227 Ca 0.26 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3gaf h ALA 227 Cb 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3gaf h ALA 227 CO -0.10 0.51 0.45 0.00 0.00 0.00 0.00 179.25 180.11 3gaf h ALA 228 N 0.78 0.89 -0.39 0.00 0.00 -0.58 -2.01 119.26 117.96 3gaf h ALA 228 Ca 0.08 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3gaf h ALA 228 Cb 0.79 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3gaf h ALA 228 CO 0.06 0.32 -0.05 1.25 0.00 0.00 0.00 179.25 180.84 3gaf h LEU 229 N 0.95 0.72 -0.04 0.00 5.85 -0.63 -1.63 115.31 120.54 3gaf h LEU 229 Ca 0.26 -0.34 0.04 0.00 0.84 0.00 0.00 57.88 58.67 3gaf h LEU 229 Cb -0.09 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.69 3gaf h LEU 229 CO -0.05 0.89 -0.27 0.15 -0.34 0.00 0.00 178.44 178.82 3gaf h PHE 230 N 0.55 -0.72 0.00 1.25 3.57 -1.31 -1.82 116.94 118.45 3gaf h PHE 230 Ca 0.11 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 3gaf h PHE 230 Cb 0.55 0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.61 3gaf h PHE 230 CO 0.04 -0.36 -0.15 -0.07 -2.23 0.00 0.00 178.31 175.55 3gaf h LEU 231 N -0.39 0.00 -1.10 0.59 3.38 -1.20 -2.18 115.31 114.41 3gaf h LEU 231 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3gaf h LEU 231 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3gaf h LEU 231 CO -0.26 0.15 -0.15 0.00 0.09 0.00 0.00 178.44 178.27 3gaf s SER 233 N -2.21 6.31 0.27 0.00 1.04 -0.70 -4.80 113.70 113.60 3gaf s SER 233 Ca 0.29 0.45 0.18 0.00 0.48 0.00 0.00 55.95 57.35 3gaf s SER 233 Cb 0.20 -2.03 1.00 0.00 0.10 0.00 0.00 66.02 65.29 3gaf s SER 233 CO 0.41 -0.27 1.56 -2.65 0.98 0.00 0.00 173.24 173.27 3gaf n PRO 234 N -1.69 0.12 0.07 4.02 -0.02 -1.14 -1.42 135.00 134.94 3gaf n PRO 234 Ca -0.05 0.62 0.09 0.00 -2.02 0.00 0.00 63.50 62.14 3gaf n PRO 234 Cb 0.56 -1.89 0.40 0.00 -0.02 0.00 0.00 33.50 32.55 3gaf n PRO 234 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gaf n ALA 235 N -1.74 1.62 -1.07 3.55 0.00 -0.58 -2.30 120.51 119.99 3gaf n ALA 235 Ca -0.01 0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.54 3gaf n ALA 235 Cb 0.03 -1.31 0.18 0.00 0.00 0.00 0.00 19.45 18.36 3gaf n ALA 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gaf n ALA 236 N -1.64 2.59 -0.12 0.00 0.00 -0.51 -4.84 120.51 115.99 3gaf n ALA 236 Ca 0.03 -2.56 0.25 0.00 0.00 0.00 0.00 53.44 51.16 3gaf n ALA 236 Cb 0.19 -0.50 0.70 0.00 0.00 0.00 0.00 19.45 19.84 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 0.64 2.70 -0.71 0.00 0.00 -1.53 0.21 119.26 120.57 3gaf h ALA 237 Ca 0.01 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.64 3gaf h ALA 237 Cb 1.16 0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.85 3gaf h ALA 237 CO 0.08 -0.92 0.28 1.87 0.00 0.00 0.00 179.25 180.57 3gaf n TRP 238 N -4.32 2.30 -4.29 0.00 -0.00 -1.26 -4.91 117.44 104.96 3gaf n TRP 238 Ca 0.16 -1.34 -0.33 0.00 -0.00 0.00 0.00 57.50 55.98 3gaf n TRP 238 Cb 0.83 -0.69 -0.15 0.00 -0.00 0.00 0.00 31.31 31.30 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 -3.07 2.63 -0.04 5.87 1.01 0.75 -5.10 121.20 123.25 3gaf s ILE 239 Ca 0.53 -0.77 -0.28 0.00 0.00 0.00 0.00 60.65 60.14 3gaf s ILE 239 Cb 0.44 -2.13 0.06 0.00 0.01 0.00 0.00 42.46 40.84 3gaf s ILE 239 CO 0.11 0.50 0.61 -0.55 0.00 0.00 0.00 174.94 175.61 3gaf s SER 240 N 1.08 -0.57 -0.11 3.58 0.15 -1.26 -4.67 113.70 111.90 3gaf s SER 240 Ca -0.00 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.23 3gaf s SER 240 Cb -0.14 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 3gaf s SER 240 CO -0.04 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.42 3gaf n GLY 241 N 0.94 0.50 3.85 9.45 0.00 0.11 -4.96 105.19 115.09 3gaf n GLY 241 Ca -0.19 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.19 3.28 -0.31 1.61 -1.52 -1.25 -4.38 119.66 115.90 3gaf s GLN 242 Ca 0.00 -0.40 -0.03 0.00 -1.95 0.00 0.00 55.36 52.98 3gaf s GLN 242 Cb 0.00 -3.00 0.05 0.00 -0.22 0.00 0.00 33.01 29.84 3gaf s GLN 242 CO 0.00 0.66 0.03 0.08 -0.25 0.00 0.00 175.29 175.81 3gaf s VAL 243 N -1.28 3.22 -0.31 1.09 1.01 -1.26 -0.24 120.40 122.63 3gaf s VAL 243 Ca 0.26 -1.31 -0.11 0.00 0.00 0.00 0.00 61.98 60.81 3gaf s VAL 243 Cb -0.12 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 3gaf s VAL 243 CO 0.17 -0.13 0.20 -0.22 0.00 0.00 0.00 175.10 175.12 3gaf s LEU 244 N 1.30 4.24 -0.22 3.92 2.96 -0.44 -4.95 118.68 125.48 3gaf s LEU 244 Ca -0.04 -0.31 -0.23 0.00 -0.22 0.00 0.00 54.13 53.32 3gaf s LEU 244 Cb -0.20 -2.09 -0.01 0.00 0.50 0.00 0.00 46.19 44.39 3gaf s LEU 244 CO 0.00 -0.16 0.76 -0.89 -1.32 0.00 0.00 176.35 174.74 3gaf s THR 245 N 1.71 4.91 -0.71 3.68 2.01 -1.26 -1.37 115.64 124.60 3gaf s THR 245 Ca 0.06 1.44 -0.02 0.00 0.31 0.00 0.00 61.69 63.48 3gaf s THR 245 Cb -0.17 -4.06 0.18 0.00 0.01 0.00 0.00 72.50 68.46 3gaf s THR 245 CO 0.09 0.00 0.54 -0.69 -0.69 0.00 0.00 174.62 173.88 3gaf s VAL 246 N 2.46 3.87 -0.08 3.82 1.01 -0.24 -4.89 120.40 126.36 3gaf s VAL 246 Ca 0.33 -3.30 0.21 0.00 0.00 0.00 0.00 61.98 59.22 3gaf s VAL 246 Cb -0.16 -3.48 0.38 0.00 0.00 0.00 0.00 36.38 33.12 3gaf s VAL 246 CO 0.09 -0.95 1.15 -1.54 0.00 0.00 0.00 175.10 173.86 3gaf n SER 247 N 3.07 0.68 -1.66 3.32 3.41 -1.26 -1.36 113.62 119.81 3gaf n SER 247 Ca 0.12 -2.02 -0.20 0.00 -0.26 0.00 0.00 58.87 56.52 3gaf n SER 247 Cb 0.37 -0.19 -0.07 0.00 -0.26 0.00 0.00 64.21 64.06 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 0.07 1.41 1.03 5.00 0.00 -1.26 -2.75 105.19 108.69 3gaf n GLY 248 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.65 0.77 0.00 -0.02 0.00 -1.26 -2.05 105.19 101.98 3gaf n GLY 249 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 3.17 3.50 -0.02 0.00 -1.11 -4.64 105.19 104.09 3gaf n GLY 250 Ca 0.00 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.74 3.49 -0.14 1.61 -7.23 -1.19 -4.77 120.40 110.44 3gaf s VAL 251 Ca 0.00 -0.54 -0.07 0.00 -1.81 0.00 0.00 61.98 59.57 3gaf s VAL 251 Cb 0.00 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 3gaf s VAL 251 CO 0.00 0.56 0.11 -1.10 -0.31 0.00 0.00 175.10 174.36 3gaf s GLN 252 N -0.31 3.56 0.00 4.82 1.11 -1.26 -4.44 119.66 123.14 3gaf s GLN 252 Ca 0.04 -0.22 0.00 0.00 0.01 0.00 0.00 55.36 55.19 3gaf s GLN 252 Cb -0.13 -3.17 0.00 0.00 -1.01 0.00 0.00 33.01 28.70 3gaf s GLN 252 CO 0.02 0.62 0.00 0.39 0.01 0.00 0.00 175.29 176.34