#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gas h ARG 4 N 0.00 0.59 -0.42 1.20 -0.00 -2.03 0.11 114.38 113.82 3gas h ARG 4 Ca 0.00 -0.10 -0.06 0.00 -0.50 0.00 0.00 59.98 59.32 3gas h ARG 4 Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 29.97 29.86 3gas h ARG 4 CO 0.00 0.55 0.05 0.82 0.00 0.00 0.00 179.97 181.39 3gas h ILE 5 N 0.50 1.25 -0.63 2.04 2.04 -2.03 -0.24 117.51 120.44 3gas h ILE 5 Ca 0.13 -0.93 0.10 0.00 1.00 0.00 0.00 64.86 65.16 3gas h ILE 5 Cb 0.17 1.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.21 3gas h ILE 5 CO -0.01 0.32 0.25 0.40 0.00 0.00 0.00 178.15 179.11 3gas h ILE 6 N 0.57 0.78 -0.34 -0.67 2.04 -1.77 -1.82 117.51 116.30 3gas h ILE 6 Ca 0.13 -0.15 -0.11 0.00 1.00 0.00 0.00 64.86 65.72 3gas h ILE 6 Cb 0.41 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3gas h ILE 6 CO 0.01 0.08 -0.23 -0.33 0.00 0.00 0.00 178.15 177.69 3gas h GLU 7 N 0.44 0.75 0.00 2.37 4.39 -0.54 -2.16 114.58 119.82 3gas h GLU 7 Ca 0.32 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3gas h GLU 7 Cb 0.39 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3gas h GLU 7 CO -0.30 0.97 0.00 1.58 -1.16 0.00 0.00 179.01 180.10 3gas n HIS 8 N -4.27 0.00 0.00 4.33 -0.00 -0.12 -1.96 115.22 113.20 3gas n HIS 8 Ca -0.03 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.15 3gas n HIS 8 Cb 0.44 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.31 3gas n HIS 8 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 3gas n ASN 10 N 0.40 0.00 -0.08 0.26 3.02 -0.81 -1.44 115.26 116.61 3gas n ASN 10 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.44 3gas n ASN 10 Cb 0.00 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.02 3gas n ASN 10 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gas n ALA 11 N 0.00 1.46 -0.05 5.41 0.00 -0.83 -4.63 120.51 121.88 3gas n ALA 11 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.33 3gas n ALA 11 Cb 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.06 3gas n ALA 11 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3gas n HIS 12 N -2.93 0.00 -2.28 0.00 8.25 -0.52 -4.84 115.22 112.89 3gas n HIS 12 Ca -0.30 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.18 3gas n HIS 12 Cb 1.10 0.00 0.07 0.00 1.12 0.00 0.00 29.99 32.29 3gas n HIS 12 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3gas n HIS 13 N -0.50 0.44 -0.18 4.41 8.25 -1.26 -4.85 115.22 121.54 3gas n HIS 13 Ca 0.00 -1.17 -0.10 0.00 -0.26 0.00 0.00 57.72 56.19 3gas n HIS 13 Cb 0.01 -0.20 0.01 0.00 1.12 0.00 0.00 29.99 30.92 3gas n HIS 13 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3gas h VAL 14 N 4.82 1.26 -0.49 1.59 2.07 -1.88 -3.07 116.25 120.55 3gas h VAL 14 Ca -0.11 -1.09 -0.09 0.00 0.82 0.00 0.00 66.70 66.23 3gas h VAL 14 Cb 1.53 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 3gas h VAL 14 CO 0.14 0.38 -0.07 -0.33 0.02 0.00 0.00 177.57 177.72 3gas h GLU 15 N 0.76 0.87 -1.66 1.57 4.39 -1.98 -1.83 114.58 116.71 3gas h GLU 15 Ca 0.14 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.56 3gas h GLU 15 Cb 0.53 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 3gas h GLU 15 CO 0.03 0.91 0.00 -0.25 -1.16 0.00 0.00 179.01 178.54 3gas n ASP 16 N -4.17 0.84 0.00 1.42 8.00 -1.16 -1.46 116.55 120.02 3gas n ASP 16 Ca 0.02 -0.58 0.00 0.00 0.71 0.00 0.00 54.79 54.94 3gas n ASP 16 Cb 0.36 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 3gas n ASP 16 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3gas n LYS 18 N 0.84 0.00 -0.22 -1.24 5.02 -0.69 -0.26 118.16 121.61 3gas n LYS 18 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 3gas n LYS 18 Cb 0.14 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.18 3gas n LYS 18 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3gas h GLY 19 N 0.00 1.10 1.06 0.72 0.00 -1.53 -2.34 103.07 102.09 3gas h GLY 19 Ca 0.00 -0.75 -0.11 0.00 0.00 0.00 0.00 47.33 46.47 3gas h GLY 19 CO 0.00 0.69 -0.15 1.41 0.00 0.00 0.00 176.54 178.49 3gas h LEU 20 N 0.93 0.95 -0.74 3.11 3.38 -0.91 -0.37 115.31 121.66 3gas h LEU 20 Ca 0.18 -0.38 0.05 0.00 0.09 0.00 0.00 57.88 57.83 3gas h LEU 20 Cb 0.45 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 3gas h LEU 20 CO 0.01 1.11 0.45 -0.07 0.09 0.00 0.00 178.44 180.03 3gas h LEU 21 N 0.79 0.70 -0.10 1.67 3.38 -1.77 -0.23 115.31 119.75 3gas h LEU 21 Ca 0.11 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 3gas h LEU 21 Cb 0.72 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3gas h LEU 21 CO 0.05 0.47 -0.28 0.50 0.09 0.00 0.00 178.44 179.27 3gas h LYS 22 N 0.84 0.37 0.17 1.13 3.64 -1.26 -0.26 116.57 121.19 3gas h LYS 22 Ca 0.31 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3gas h LYS 22 Cb 0.11 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3gas h LYS 22 CO -0.15 0.87 -0.08 -0.22 -2.27 0.00 0.00 179.45 177.61 3gas h LYS 23 N -0.08 -0.21 0.00 1.90 3.64 -0.88 -1.88 116.57 119.06 3gas h LYS 23 Ca -0.01 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.28 3gas h LYS 23 Cb 0.89 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 3gas h LYS 23 CO 0.06 0.09 -1.40 1.19 -2.27 0.00 0.00 179.45 177.12 3gas n PHE 24 N -5.05 0.82 0.46 1.91 3.72 -0.11 -1.96 117.46 117.24 3gas n PHE 24 Ca -0.09 0.26 0.05 0.00 -0.05 0.00 0.00 57.45 57.62 3gas n PHE 24 Cb 0.22 -0.98 -0.03 0.00 -0.94 0.00 0.00 39.48 37.75 3gas n PHE 24 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gas n GLY 25 N 1.33 -0.04 3.18 1.37 0.00 -0.18 -4.92 105.19 105.92 3gas n GLY 25 Ca -0.07 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 3gas n GLY 25 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gas n GLN 26 N -0.69 -5.34 -3.46 1.61 1.13 -0.71 -4.94 117.38 104.97 3gas n GLN 26 Ca 0.03 0.85 -0.43 0.00 -1.94 0.00 0.00 57.00 55.52 3gas n GLN 26 Cb 0.19 -5.74 -0.08 0.00 0.11 0.00 0.00 30.24 24.71 3gas n GLN 26 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3gas s VAL 27 N -3.19 4.87 -0.05 5.09 1.01 -0.85 -4.95 120.40 122.33 3gas s VAL 27 Ca 0.37 -1.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 3gas s VAL 27 Cb -0.17 -3.94 -0.00 0.00 0.00 0.00 0.00 36.38 32.27 3gas s VAL 27 CO 0.46 -0.56 0.05 0.45 0.00 0.00 0.00 175.10 175.50 3gas h HIS 28 N 8.63 -0.03 -3.69 5.22 3.86 -1.90 -2.98 115.15 124.27 3gas h HIS 28 Ca -0.26 -0.00 -0.75 0.00 -1.16 0.00 0.00 60.37 58.19 3gas h HIS 28 Cb 1.10 0.01 -0.30 0.00 1.06 0.00 0.00 27.41 29.28 3gas h HIS 28 CO 0.63 -0.02 -0.07 -1.01 0.86 0.00 0.00 177.93 178.32 3gas s HIS 29 N -1.42 3.66 -0.11 2.45 3.76 -1.26 -4.90 115.29 117.46 3gas s HIS 29 Ca -0.00 -2.36 -0.08 0.00 -0.15 0.00 0.00 55.06 52.47 3gas s HIS 29 Cb 0.00 -3.55 -0.04 0.00 1.11 0.00 0.00 32.58 30.10 3gas s HIS 29 CO 0.01 -0.92 0.17 0.00 -0.85 0.00 0.00 174.74 173.15 3gas s ALA 30 N -0.09 3.86 0.50 -1.40 0.00 -1.26 -5.01 121.76 118.36 3gas s ALA 30 Ca 0.19 -0.60 0.05 0.00 0.00 0.00 0.00 51.96 51.60 3gas s ALA 30 Cb -0.14 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 20.97 3gas s ALA 30 CO -0.07 0.60 0.24 -1.21 0.00 0.00 0.00 175.76 175.32 3gas s GLU 31 N -1.02 2.24 -1.18 0.00 2.02 -1.26 -4.73 118.70 114.76 3gas s GLU 31 Ca 0.16 -2.07 -0.00 0.00 0.02 0.00 0.00 54.97 53.07 3gas s GLU 31 Cb -0.12 -1.92 0.00 0.00 0.10 0.00 0.00 34.13 32.19 3gas s GLU 31 CO 0.05 -0.42 0.01 -1.71 0.02 0.00 0.00 175.26 173.21 3gas n ASN 32 N -1.50 0.69 -4.70 -0.19 5.15 -1.26 -1.44 115.26 112.02 3gas n ASN 32 Ca -0.06 -0.98 -0.42 0.00 -0.60 0.00 0.00 54.58 52.52 3gas n ASN 32 Cb 0.65 -1.21 -0.03 0.00 -0.53 0.00 0.00 39.78 38.66 3gas n ASN 32 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3gas s VAL 33 N -4.06 4.41 -0.12 3.44 1.01 -1.26 -3.97 120.40 119.85 3gas s VAL 33 Ca 0.00 1.72 -0.18 0.00 0.00 0.00 0.00 61.98 63.53 3gas s VAL 33 Cb -0.00 -4.10 0.04 0.00 0.00 0.00 0.00 36.38 32.32 3gas s VAL 33 CO 0.76 0.06 0.45 0.00 0.00 0.00 0.00 175.10 176.38 3gas s ALA 34 N 1.64 -1.14 0.20 5.51 0.00 -0.29 -5.00 121.76 122.68 3gas s ALA 34 Ca 0.55 1.09 -0.30 0.00 0.00 0.00 0.00 51.96 53.29 3gas s ALA 34 Cb -0.24 -0.48 -0.09 0.00 0.00 0.00 0.00 23.12 22.31 3gas s ALA 34 CO 0.24 -0.25 1.32 0.12 0.00 0.00 0.00 175.76 177.20 3gas s PHE 35 N -0.29 3.24 -0.16 0.00 5.36 -1.26 0.07 117.98 124.94 3gas s PHE 35 Ca -0.04 1.20 -0.05 0.00 -0.96 0.00 0.00 56.93 57.07 3gas s PHE 35 Cb -0.03 -3.62 -0.08 0.00 -0.34 0.00 0.00 43.02 38.94 3gas s PHE 35 CO 0.03 -1.96 -0.19 1.63 -1.46 0.00 0.00 175.22 173.27 3gas n LYS 36 N 2.66 0.36 -3.74 10.12 4.76 -0.32 -4.82 118.16 127.17 3gas n LYS 36 Ca 0.06 0.14 -0.03 0.00 -2.87 0.00 0.00 58.31 55.61 3gas n LYS 36 Cb 0.43 -1.16 -0.01 0.00 -1.84 0.00 0.00 35.03 32.44 3gas n LYS 36 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3gas s SER 37 N -6.19 -0.17 -0.00 4.39 1.04 -1.12 -4.98 113.70 106.66 3gas s SER 37 Ca -0.23 -0.38 -0.07 0.00 0.48 0.00 0.00 55.95 55.76 3gas s SER 37 Cb 0.08 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.66 3gas s SER 37 CO 0.31 -0.85 0.13 0.54 0.98 0.00 0.00 173.24 174.35 3gas s VAL 38 N -3.22 0.07 0.26 5.02 0.11 -1.26 -0.92 120.40 120.47 3gas s VAL 38 Ca 0.12 -0.62 0.00 0.00 -2.93 0.00 0.00 61.98 58.56 3gas s VAL 38 Cb -0.01 -0.39 0.00 0.00 -1.53 0.00 0.00 36.38 34.45 3gas s VAL 38 CO 0.02 -0.34 0.34 -0.90 -3.33 0.00 0.00 175.10 170.88 3gas n ASP 39 N 1.65 -0.93 0.32 3.54 5.75 -0.18 -5.00 116.55 121.70 3gas n ASP 39 Ca -0.22 -2.49 0.20 0.00 -0.01 0.00 0.00 54.79 52.27 3gas n ASP 39 Cb 0.56 1.79 1.09 0.00 -1.03 0.00 0.00 41.12 43.53 3gas n ASP 39 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3gas h SER 40 N 1.51 0.00 -0.01 -1.12 4.64 -1.99 -3.06 113.55 113.53 3gas h SER 40 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3gas h SER 40 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 3gas h SER 40 CO 0.28 0.00 -0.15 0.00 -0.87 0.00 0.00 176.83 176.08 3gas n GLN 41 N -3.33 2.20 -3.30 4.77 6.02 -1.26 -0.61 117.38 121.87 3gas n GLN 41 Ca -0.03 -0.53 0.00 0.00 -0.01 0.00 0.00 57.00 56.44 3gas n GLN 41 Cb 0.11 -1.00 0.00 0.00 1.02 0.00 0.00 30.24 30.37 3gas n GLN 41 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gas n GLY 42 N 0.78 -1.44 3.44 1.08 0.00 -1.16 -1.03 105.19 106.86 3gas n GLY 42 Ca 0.03 -1.01 -0.22 0.00 0.00 0.00 0.00 46.02 44.83 3gas n GLY 42 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gas s ILE 43 N -2.56 1.73 -0.07 -0.61 -4.36 -0.48 -1.01 121.20 113.83 3gas s ILE 43 Ca 0.00 -2.14 0.01 0.00 -0.26 0.00 0.00 60.65 58.26 3gas s ILE 43 Cb 0.00 -2.48 0.02 0.00 1.25 0.00 0.00 42.46 41.26 3gas s ILE 43 CO 0.00 -0.29 -0.07 -0.69 0.24 0.00 0.00 174.94 174.13 3gas s VAL 44 N -2.95 0.81 -0.16 8.37 1.01 -0.10 -1.19 120.40 126.19 3gas s VAL 44 Ca 0.30 -0.23 -0.03 0.00 0.00 0.00 0.00 61.98 62.01 3gas s VAL 44 Cb 0.03 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 3gas s VAL 44 CO 0.13 0.30 -0.05 -0.63 0.00 0.00 0.00 175.10 174.85 3gas s ILE 45 N 1.18 3.78 0.15 2.22 1.01 -0.17 -1.18 121.20 128.20 3gas s ILE 45 Ca -0.06 -0.40 -0.08 0.00 0.00 0.00 0.00 60.65 60.12 3gas s ILE 45 Cb -0.14 -2.65 -0.06 0.00 0.01 0.00 0.00 42.46 39.61 3gas s ILE 45 CO -0.02 0.49 0.44 -0.83 0.00 0.00 0.00 174.94 175.02 3gas s GLY 46 N 0.45 2.28 0.26 6.18 0.00 0.11 -0.69 107.32 115.93 3gas s GLY 46 Ca -0.04 -0.42 -0.21 0.00 0.00 0.00 0.00 44.72 44.05 3gas s GLY 46 CO 0.03 -0.29 0.79 -2.52 0.00 0.00 0.00 173.10 171.11 3gas s TYR 47 N -1.64 -0.13 0.00 1.90 -0.85 -0.13 -1.14 117.35 115.36 3gas s TYR 47 Ca 0.41 -0.33 0.00 0.00 -0.52 0.00 0.00 57.07 56.63 3gas s TYR 47 Cb -0.12 0.71 0.00 0.00 0.38 0.00 0.00 41.96 42.93 3gas s TYR 47 CO 0.22 -1.19 0.00 0.09 -1.52 0.00 0.00 175.55 173.15 3gas n ASN 48 N -0.61 0.00 -3.61 -0.18 4.13 -0.52 -1.63 115.26 112.83 3gas n ASN 48 Ca -0.05 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.80 3gas n ASN 48 Cb 0.59 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.83 3gas n ASN 48 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3gas n ASN 49 N 1.26 5.47 -2.77 6.41 5.03 -1.26 -4.49 115.26 124.91 3gas n ASN 49 Ca 0.00 -2.79 -0.21 0.00 0.87 0.00 0.00 54.58 52.45 3gas n ASN 49 Cb 0.00 -1.61 0.01 0.00 -1.02 0.00 0.00 39.78 37.16 3gas n ASN 49 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3gas n ASN 50 N 5.13 -5.88 -4.88 6.41 2.85 -1.23 -4.99 115.26 112.68 3gas n ASN 50 Ca 0.59 -0.17 -0.21 0.00 -0.11 0.00 0.00 54.58 54.69 3gas n ASN 50 Cb 0.34 -4.82 -0.03 0.00 1.24 0.00 0.00 39.78 36.51 3gas n ASN 50 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 3gas s GLN 51 N -5.43 2.95 0.07 1.20 -0.21 -0.65 -4.98 119.66 112.61 3gas s GLN 51 Ca 0.18 -1.10 -0.04 0.00 0.02 0.00 0.00 55.36 54.42 3gas s GLN 51 Cb -0.08 -2.61 -0.03 0.00 1.00 0.00 0.00 33.01 31.29 3gas s GLN 51 CO 0.22 0.24 0.06 0.95 -2.12 0.00 0.00 175.29 174.64 3gas s THR 52 N -2.18 0.19 -0.06 -0.19 -4.23 -1.26 -0.96 115.64 106.95 3gas s THR 52 Ca 0.38 -1.57 0.01 0.00 -1.18 0.00 0.00 61.69 59.33 3gas s THR 52 Cb -0.07 -1.47 0.02 0.00 1.34 0.00 0.00 72.50 72.32 3gas s THR 52 CO 0.27 -0.85 -0.08 -0.22 -0.54 0.00 0.00 174.62 173.20 3gas s LEU 53 N -2.90 1.45 -0.15 4.79 2.96 0.14 -4.97 118.68 120.01 3gas s LEU 53 Ca 0.07 -0.22 -0.08 0.00 -0.22 0.00 0.00 54.13 53.68 3gas s LEU 53 Cb 0.07 -0.65 -0.04 0.00 0.50 0.00 0.00 46.19 46.07 3gas s LEU 53 CO -0.10 -0.02 0.12 -0.60 -1.32 0.00 0.00 176.35 174.43 3gas s ARG 54 N 0.87 3.69 -0.14 1.98 3.52 -1.26 -0.99 118.95 126.61 3gas s ARG 54 Ca -0.11 -0.20 -0.00 0.00 -0.13 0.00 0.00 55.73 55.29 3gas s ARG 54 Cb -0.15 -3.24 0.03 0.00 -1.56 0.00 0.00 34.95 30.03 3gas s ARG 54 CO 0.01 0.58 -0.11 0.42 -0.81 0.00 0.00 175.30 175.40 3gas s ILE 55 N -0.47 1.33 0.40 4.11 1.01 -0.33 -4.99 121.20 122.26 3gas s ILE 55 Ca 0.12 -0.51 -0.23 0.00 0.00 0.00 0.00 60.65 60.03 3gas s ILE 55 Cb -0.12 -1.30 -0.10 0.00 0.01 0.00 0.00 42.46 40.95 3gas s ILE 55 CO 0.02 0.39 0.96 -1.61 0.00 0.00 0.00 174.94 174.70 3gas s GLU 56 N 1.58 4.30 0.78 2.79 2.02 -1.26 -1.39 118.70 127.53 3gas s GLU 56 Ca 0.04 1.22 -0.11 0.00 0.02 0.00 0.00 54.97 56.14 3gas s GLU 56 Cb -0.13 -2.38 0.06 0.00 0.10 0.00 0.00 34.13 31.78 3gas s GLU 56 CO -0.09 0.03 1.09 -0.06 0.02 0.00 0.00 175.26 176.24 3gas s PHE 57 N -1.97 2.87 -2.03 1.61 0.08 -0.20 -4.92 117.98 113.42 3gas s PHE 57 Ca 0.59 1.23 0.08 0.00 0.12 0.00 0.00 56.93 58.94 3gas s PHE 57 Cb -0.13 -3.07 0.30 0.00 -0.57 0.00 0.00 43.02 39.55 3gas s PHE 57 CO 0.17 -1.67 1.22 0.27 -0.10 0.00 0.00 175.22 175.12 3gas n ASN 58 N -3.38 0.97 -3.65 1.36 0.23 -1.26 -4.84 115.26 104.69 3gas n ASN 58 Ca 0.07 -1.92 -0.06 0.00 -0.53 0.00 0.00 54.58 52.14 3gas n ASN 58 Cb 0.55 -0.11 -0.02 0.00 -2.08 0.00 0.00 39.78 38.13 3gas n ASN 58 CO 0.00 0.00 0.00 -1.38 -0.93 0.00 0.00 177.26 174.95 3gas s HIS 59 N -1.78 -0.23 -0.08 -2.53 -3.43 -1.26 -4.30 115.29 101.68 3gas s HIS 59 Ca 0.16 -0.02 -0.25 0.00 -0.80 0.00 0.00 55.06 54.14 3gas s HIS 59 Cb 0.08 0.60 -0.03 0.00 -1.43 0.00 0.00 32.58 31.80 3gas s HIS 59 CO 0.11 -0.75 0.80 -2.00 -2.00 0.00 0.00 174.74 170.90 3gas s GLU 60 N -3.28 4.43 -0.58 -0.38 2.12 -1.26 -4.79 118.70 114.95 3gas s GLU 60 Ca 0.09 1.04 -0.21 0.00 0.36 0.00 0.00 54.97 56.25 3gas s GLU 60 Cb -0.01 -3.48 0.07 0.00 0.26 0.00 0.00 34.13 30.96 3gas s GLU 60 CO -0.02 -0.06 0.82 0.08 -0.54 0.00 0.00 175.26 175.54 3gas s VAL 61 N 1.19 4.57 -0.64 3.70 1.01 0.22 -4.92 120.40 125.53 3gas s VAL 61 Ca 0.41 -0.38 0.25 0.00 0.00 0.00 0.00 61.98 62.26 3gas s VAL 61 Cb -0.18 -4.52 0.27 0.00 0.00 0.00 0.00 36.38 31.95 3gas s VAL 61 CO 0.19 -1.15 1.75 0.29 0.00 0.00 0.00 175.10 176.18 3gas n LYS 62 N 7.00 0.22 -4.08 2.72 5.02 -1.26 -4.55 118.16 123.23 3gas n LYS 62 Ca -0.04 0.29 -0.32 0.00 -2.02 0.00 0.00 58.31 56.22 3gas n LYS 62 Cb 0.45 -1.82 -0.16 0.00 -0.02 0.00 0.00 35.03 33.48 3gas n LYS 62 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3gas s ASP 63 N -4.35 3.38 0.59 4.39 -1.08 -1.26 -4.98 116.67 113.36 3gas s ASP 63 Ca 0.08 -0.82 0.29 0.00 -0.52 0.00 0.00 52.55 51.58 3gas s ASP 63 Cb 0.11 -1.43 1.33 0.00 -1.46 0.00 0.00 42.92 41.48 3gas s ASP 63 CO 0.51 -0.06 1.72 -0.65 0.52 0.00 0.00 175.17 177.20 3gas h PRO 64 N 7.92 0.00 0.00 4.34 0.11 -2.01 0.54 132.00 142.91 3gas h PRO 64 Ca -0.37 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.73 3gas h PRO 64 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3gas h PRO 64 CO 0.57 0.00 -0.02 0.87 -0.21 0.00 0.00 178.00 179.21 3gas h LYS 65 N 0.00 0.00 -0.18 1.05 1.57 -1.96 -2.31 116.57 114.73 3gas h LYS 65 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 3gas h LYS 65 Cb 1.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.07 3gas h LYS 65 CO -0.00 0.02 0.00 -0.25 -0.57 0.00 0.00 179.45 178.65 3gas n ASP 66 N -3.33 3.13 -0.10 0.86 8.00 0.19 -4.49 116.55 120.82 3gas n ASP 66 Ca -0.02 -1.97 -0.06 0.00 0.71 0.00 0.00 54.79 53.45 3gas n ASP 66 Cb 0.14 -0.11 0.01 0.00 -0.02 0.00 0.00 41.12 41.15 3gas n ASP 66 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 3gas h TYR 67 N 4.44 0.16 -0.18 1.24 0.05 -1.50 -0.89 116.97 120.29 3gas h TYR 67 Ca 0.00 0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.84 3gas h TYR 67 Cb 0.96 -0.02 -0.04 0.00 1.01 0.00 0.00 36.73 38.64 3gas h TYR 67 CO 0.11 0.05 -0.05 -0.22 -1.05 0.00 0.00 178.16 177.00 3gas h LYS 68 N 0.22 -0.01 -0.39 4.88 3.64 -1.79 -0.44 116.57 122.69 3gas h LYS 68 Ca 0.16 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 3gas h LYS 68 Cb 0.15 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3gas h LYS 68 CO -0.18 -0.01 0.19 -0.91 -2.27 0.00 0.00 179.45 176.27 3gas h ASN 69 N -0.01 0.52 -0.92 4.20 2.35 -1.79 -0.68 115.58 119.25 3gas h ASN 69 Ca 0.09 -0.13 0.05 0.00 -0.55 0.00 0.00 56.30 55.76 3gas h ASN 69 Cb 0.14 -0.13 -0.06 0.00 0.05 0.00 0.00 38.32 38.32 3gas h ASN 69 CO -0.19 0.50 0.59 0.00 -1.65 0.00 0.00 177.43 176.68 3gas h ALA 70 N 1.04 1.25 -0.36 -0.83 0.00 -0.82 0.12 119.26 119.65 3gas h ALA 70 Ca 0.14 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3gas h ALA 70 Cb 0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3gas h ALA 70 CO -0.02 0.40 0.05 1.15 0.00 0.00 0.00 179.25 180.84 3gas h THR 71 N 1.10 1.24 -0.65 0.00 2.02 -0.75 -1.17 112.91 114.71 3gas h THR 71 Ca 0.39 -0.85 -0.04 0.00 0.77 0.00 0.00 66.41 66.67 3gas h THR 71 Cb 0.10 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 3gas h THR 71 CO -0.15 0.29 0.26 0.40 0.37 0.00 0.00 175.52 176.69 3gas h ILE 72 N 0.44 1.24 -0.44 3.11 2.04 -0.50 -0.59 117.51 122.81 3gas h ILE 72 Ca 0.11 -0.74 0.01 0.00 1.00 0.00 0.00 64.86 65.23 3gas h ILE 72 Cb 0.37 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 3gas h ILE 72 CO 0.01 0.29 0.28 -0.08 0.00 0.00 0.00 178.15 178.65 3gas h GLU 73 N 0.91 0.55 -0.66 2.37 4.81 -0.56 0.45 114.58 122.46 3gas h GLU 73 Ca 0.22 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 3gas h GLU 73 Cb 0.21 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 3gas h GLU 73 CO -0.02 0.37 0.38 1.25 -0.73 0.00 0.00 179.01 180.26 3gas h LEU 74 N 0.57 0.80 -0.45 1.64 5.85 -0.90 -1.48 115.31 121.35 3gas h LEU 74 Ca 0.17 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3gas h LEU 74 Cb -0.04 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 3gas h LEU 74 CO -0.05 0.64 0.27 0.00 -0.34 0.00 0.00 178.44 178.97 3gas n GLN 76 N -4.73 0.21 0.26 0.00 6.02 0.09 -3.21 117.38 116.01 3gas n GLN 76 Ca 0.01 0.34 0.11 0.00 -0.01 0.00 0.00 57.00 57.45 3gas n GLN 76 Cb 0.05 -1.84 0.70 0.00 1.02 0.00 0.00 30.24 30.17 3gas n GLN 76 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3gas h SER 77 N 0.00 0.00 -0.14 1.08 4.64 -0.85 -2.17 113.55 116.11 3gas h SER 77 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3gas h SER 77 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 3gas h SER 77 CO 0.00 0.12 0.07 0.58 -0.87 0.00 0.00 176.83 176.73 3gas h VAL 78 N 0.00 1.00 0.07 0.95 2.07 -1.68 -1.79 116.25 116.86 3gas h VAL 78 Ca -0.00 -0.05 -0.25 0.00 0.82 0.00 0.00 66.70 67.21 3gas h VAL 78 Cb 0.29 0.84 0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3gas h VAL 78 CO 0.02 0.03 -1.11 -0.08 0.02 0.00 0.00 177.57 176.45 3gas h GLU 79 N 0.15 0.37 -0.16 1.57 4.81 -1.77 -3.25 114.58 116.30 3gas h GLU 79 Ca 0.06 -0.49 0.04 0.00 -0.13 0.00 0.00 59.36 58.83 3gas h GLU 79 Cb 0.01 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 3gas h GLU 79 CO -0.04 1.18 0.11 0.87 -0.73 0.00 0.00 179.01 180.40 3gas h LYS 80 N 0.16 0.04 -0.58 1.92 6.56 -1.28 -0.98 116.57 122.42 3gas h LYS 80 Ca -0.12 -0.00 0.12 0.00 -1.06 0.00 0.00 60.65 59.59 3gas h LYS 80 Cb 1.78 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 33.40 3gas h LYS 80 CO 0.19 0.03 0.39 1.15 -2.06 0.00 0.00 179.45 179.15 3gas h THR 81 N 0.04 0.83 -0.11 -0.16 2.02 -1.36 -2.04 112.91 112.13 3gas h THR 81 Ca 0.07 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3gas h THR 81 Cb 0.24 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 3gas h THR 81 CO -0.00 0.05 0.00 1.41 0.37 0.00 0.00 175.52 177.34 3gas n HIS 82 N -4.45 0.13 -2.44 3.16 8.25 -0.37 -4.66 115.22 114.84 3gas n HIS 82 Ca 0.10 -0.06 -0.43 0.00 -0.26 0.00 0.00 57.72 57.07 3gas n HIS 82 Cb 0.46 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 3gas n HIS 82 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3gas n ASP 83 N 0.40 4.76 0.05 0.41 2.03 -0.77 -4.79 116.55 118.64 3gas n ASP 83 Ca 0.17 -2.92 0.08 0.00 0.52 0.00 0.00 54.79 52.64 3gas n ASP 83 Cb 0.38 -1.70 0.51 0.00 -0.72 0.00 0.00 41.12 39.59 3gas n ASP 83 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3gas h LEU 84 N 11.52 0.30 -0.33 -2.67 3.38 -1.86 -1.31 115.31 124.32 3gas h LEU 84 Ca 0.46 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.35 3gas h LEU 84 Cb 0.81 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3gas h LEU 84 CO 1.53 0.20 -0.09 0.50 0.09 0.00 0.00 178.44 180.68 3gas h LYS 85 N 0.34 0.65 -0.71 1.13 3.64 -1.99 -0.36 116.57 119.27 3gas h LYS 85 Ca 0.14 -0.25 -0.04 0.00 -1.27 0.00 0.00 60.65 59.24 3gas h LYS 85 Cb 0.15 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 3gas h LYS 85 CO -0.03 0.82 0.29 0.78 -2.27 0.00 0.00 179.45 179.04 3gas h GLY 86 N 0.43 1.12 1.05 5.01 0.00 -1.76 -1.80 103.07 107.12 3gas h GLY 86 Ca 0.08 -0.58 -0.07 0.00 0.00 0.00 0.00 47.33 46.76 3gas h GLY 86 CO 0.03 0.55 0.14 -2.08 0.00 0.00 0.00 176.54 175.19 3gas h VAL 87 N 1.02 1.26 -0.65 4.60 2.07 -0.96 -0.47 116.25 123.12 3gas h VAL 87 Ca 0.24 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 3gas h VAL 87 Cb 0.18 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3gas h VAL 87 CO -0.02 0.37 0.37 -0.33 0.02 0.00 0.00 177.57 177.97 3gas h GLU 88 N 0.98 0.89 -0.51 1.57 5.08 -0.57 0.76 114.58 122.80 3gas h GLU 88 Ca 0.20 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.36 3gas h GLU 88 Cb 0.39 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3gas h GLU 88 CO 0.01 0.65 -0.14 0.93 -1.00 0.00 0.00 179.01 179.45 3gas h GLU 89 N 0.90 0.99 -0.79 2.33 5.08 -0.77 -1.93 114.58 120.40 3gas h GLU 89 Ca 0.23 -0.39 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 3gas h GLU 89 Cb 0.00 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 3gas h GLU 89 CO -0.04 1.07 0.34 0.93 -1.00 0.00 0.00 179.01 180.31 3gas h GLU 90 N 0.86 1.16 -0.15 2.33 5.08 -0.23 -1.21 114.58 122.41 3gas h GLU 90 Ca 0.13 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3gas h GLU 90 Cb 0.71 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3gas h GLU 90 CO 0.05 0.92 0.10 0.28 -1.00 0.00 0.00 179.01 179.36 3gas h VAL 91 N 1.13 1.05 -0.38 3.13 2.07 -0.66 0.26 116.25 122.85 3gas h VAL 91 Ca 0.27 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 3gas h VAL 91 Cb 0.17 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3gas h VAL 91 CO -0.03 0.04 0.19 0.50 0.02 0.00 0.00 177.57 178.30 3gas h LYS 92 N 0.20 0.54 -0.17 1.57 3.64 -1.15 -2.28 116.57 118.92 3gas h LYS 92 Ca 0.06 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 3gas h LYS 92 Cb -0.01 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3gas h LYS 92 CO -0.01 0.46 -0.36 0.00 -2.27 0.00 0.00 179.45 177.27 3gas h ALA 93 N 1.05 1.08 0.01 5.00 0.00 -1.08 -2.60 119.26 122.72 3gas h ALA 93 Ca 0.13 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3gas h ALA 93 Cb 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3gas h ALA 93 CO -0.02 0.58 -0.01 0.35 0.00 0.00 0.00 179.25 180.16 3gas h PHE 94 N 0.30 -0.02 -0.60 0.00 3.57 -0.19 -2.57 116.94 117.44 3gas h PHE 94 Ca 0.03 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3gas h PHE 94 Cb 0.78 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 3gas h PHE 94 CO 0.02 0.01 0.38 0.87 -2.23 0.00 0.00 178.31 177.36 3gas h LYS 95 N -0.04 0.80 0.00 1.11 1.57 -1.29 -2.27 116.57 116.45 3gas h LYS 95 Ca -0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3gas h LYS 95 Cb 0.04 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.17 3gas h LYS 95 CO 0.00 0.55 0.00 0.93 -0.57 0.00 0.00 179.45 180.36 3gas h GLU 96 N 0.82 0.00 -0.16 3.15 5.08 -1.12 -3.09 114.58 119.26 3gas h GLU 96 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3gas h GLU 96 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3gas h GLU 96 CO -0.04 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.38 3gas n GLY 97 N 0.11 -0.04 3.33 -3.84 0.00 -0.85 -4.88 105.19 99.02 3gas n GLY 97 Ca 0.02 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 3gas n GLY 97 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gas s PHE 98 N -1.79 1.90 -0.05 1.61 0.40 -1.17 -5.01 117.98 113.86 3gas s PHE 98 Ca 0.26 -0.43 0.08 0.00 -0.60 0.00 0.00 56.93 56.23 3gas s PHE 98 Cb 0.13 -0.98 0.12 0.00 0.51 0.00 0.00 43.02 42.80 3gas s PHE 98 CO 0.20 0.31 1.06 -0.25 0.70 0.00 0.00 175.22 177.24 3gas n ASP 99 N 0.57 2.11 -3.46 1.36 8.00 -1.26 -4.94 116.55 118.93 3gas n ASP 99 Ca -0.15 -2.44 -0.12 0.00 0.71 0.00 0.00 54.79 52.79 3gas n ASP 99 Cb 0.56 -0.18 -0.02 0.00 -0.02 0.00 0.00 41.12 41.46 3gas n ASP 99 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3gas s SER 100 N -1.76 -0.54 0.11 -2.24 1.04 -1.26 -0.50 113.70 108.56 3gas s SER 100 Ca 0.13 -0.05 -0.02 0.00 0.48 0.00 0.00 55.95 56.49 3gas s SER 100 Cb 0.11 0.61 -0.04 0.00 0.10 0.00 0.00 66.02 66.80 3gas s SER 100 CO 0.01 -0.99 0.06 0.68 0.98 0.00 0.00 173.24 173.98 3gas s VAL 101 N -3.76 0.13 0.17 5.02 -7.23 -0.06 -4.78 120.40 109.90 3gas s VAL 101 Ca 0.02 -1.82 -0.02 0.00 -1.81 0.00 0.00 61.98 58.35 3gas s VAL 101 Cb -0.01 -1.88 -0.05 0.00 0.56 0.00 0.00 36.38 35.00 3gas s VAL 101 CO -0.12 -0.59 0.37 0.00 -0.31 0.00 0.00 175.10 174.46 3gas s LEU 103 N -3.08 2.25 -0.11 0.00 1.43 1.00 -4.45 118.68 115.71 3gas s LEU 103 Ca 0.39 -0.54 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 3gas s LEU 103 Cb -0.11 -0.30 0.01 0.00 0.03 0.00 0.00 46.19 45.82 3gas s LEU 103 CO 0.28 -0.14 -0.18 0.00 0.23 0.00 0.00 176.35 176.54 3gas s ALA 104 N -1.26 1.87 0.22 4.21 0.00 -0.46 -1.48 121.76 124.87 3gas s ALA 104 Ca -0.06 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.10 3gas s ALA 104 Cb -0.09 -0.87 -0.05 0.00 0.00 0.00 0.00 23.12 22.11 3gas s ALA 104 CO 0.01 -0.03 -0.02 0.95 0.00 0.00 0.00 175.76 176.67 3gas s THR 105 N 0.88 1.12 -0.31 0.00 -4.23 -0.66 -1.89 115.64 110.56 3gas s THR 105 Ca -0.08 -2.05 -0.03 0.00 -1.18 0.00 0.00 61.69 58.36 3gas s THR 105 Cb -0.15 -2.29 0.05 0.00 1.34 0.00 0.00 72.50 71.45 3gas s THR 105 CO -0.01 -0.38 0.02 -0.22 -0.54 0.00 0.00 174.62 173.49 3gas s LEU 106 N -3.30 3.98 0.58 4.79 2.96 -1.26 -0.83 118.68 125.60 3gas s LEU 106 Ca 0.27 -1.25 -0.18 0.00 -0.22 0.00 0.00 54.13 52.75 3gas s LEU 106 Cb 0.05 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 3gas s LEU 106 CO 0.08 -0.27 1.13 -2.28 -1.32 0.00 0.00 176.35 173.69 3gas s HIS 107 N 1.28 2.62 0.52 5.38 5.65 -0.70 -4.23 115.29 125.81 3gas s HIS 107 Ca -0.05 1.54 0.18 0.00 0.25 0.00 0.00 55.06 56.99 3gas s HIS 107 Cb -0.20 -3.27 1.28 0.00 -1.18 0.00 0.00 32.58 29.21 3gas s HIS 107 CO -0.00 -1.67 2.10 -1.35 -0.65 0.00 0.00 174.74 173.16 3gas h PRO 108 N 0.83 0.03 0.00 2.88 0.11 -1.88 0.10 132.00 134.08 3gas h PRO 108 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3gas h PRO 108 Cb 1.26 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3gas h PRO 108 CO 0.56 0.02 0.00 0.27 -0.21 0.00 0.00 178.00 178.64 3gas n ASN 109 N -4.49 0.00 0.00 -2.05 6.94 -1.26 -4.86 115.26 109.54 3gas n ASN 109 Ca 0.01 -0.33 0.00 0.00 -0.02 0.00 0.00 54.58 54.24 3gas n ASN 109 Cb 0.23 -0.06 0.00 0.00 -2.36 0.00 0.00 39.78 37.59 3gas n ASN 109 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gas n GLY 110 N -0.11 2.46 3.83 4.83 0.00 0.36 -5.06 105.19 111.49 3gas n GLY 110 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 3gas n GLY 110 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3gas s HIS 111 N -2.39 3.55 0.58 1.61 5.04 -1.26 -4.80 115.29 117.63 3gas s HIS 111 Ca 0.00 1.28 -0.14 0.00 -1.54 0.00 0.00 55.06 54.66 3gas s HIS 111 Cb 0.00 -2.55 -0.05 0.00 0.04 0.00 0.00 32.58 30.02 3gas s HIS 111 CO 0.00 0.27 1.02 0.14 -2.34 0.00 0.00 174.74 173.83 3gas s VAL 112 N -1.66 4.45 -0.06 0.89 -7.23 -1.26 -1.72 120.40 113.80 3gas s VAL 112 Ca 0.46 0.99 0.02 0.00 -1.81 0.00 0.00 61.98 61.64 3gas s VAL 112 Cb -0.14 -3.69 0.02 0.00 0.56 0.00 0.00 36.38 33.12 3gas s VAL 112 CO 0.20 -0.85 -0.10 -0.69 -0.31 0.00 0.00 175.10 173.35 3gas s VAL 113 N -2.84 1.00 -0.23 1.32 1.01 -0.01 -4.87 120.40 115.77 3gas s VAL 113 Ca 0.58 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 62.11 3gas s VAL 113 Cb -0.11 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 3gas s VAL 113 CO 0.43 0.33 -0.00 0.00 0.00 0.00 0.00 175.10 175.85 3gas n SER 115 N 4.83 -0.08 -3.90 0.00 3.41 -0.55 -4.99 113.62 112.33 3gas n SER 115 Ca -0.17 -1.12 -0.10 0.00 -0.26 0.00 0.00 58.87 57.22 3gas n SER 115 Cb 0.51 0.16 -0.09 0.00 -0.26 0.00 0.00 64.21 64.53 3gas n SER 115 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3gas s TYR 116 N -4.76 0.16 0.04 7.33 -0.85 -1.26 -0.00 117.35 118.01 3gas s TYR 116 Ca 0.02 -0.43 -0.08 0.00 -0.52 0.00 0.00 57.07 56.06 3gas s TYR 116 Cb -0.00 -0.11 -0.00 0.00 0.38 0.00 0.00 41.96 42.23 3gas s TYR 116 CO 0.01 -0.38 0.16 0.00 -1.52 0.00 0.00 175.55 173.83 3gas s ALA 117 N -2.56 -0.25 0.41 9.51 0.00 0.16 -4.93 121.76 124.10 3gas s ALA 117 Ca -0.05 -0.41 -0.26 0.00 0.00 0.00 0.00 51.96 51.24 3gas s ALA 117 Cb -0.01 0.29 -0.09 0.00 0.00 0.00 0.00 23.12 23.31 3gas s ALA 117 CO -0.04 -0.36 1.34 -2.14 0.00 0.00 0.00 175.76 174.56 3gas s PRO 118 N -2.73 3.95 0.40 0.00 0.02 -1.26 -0.88 135.00 134.50 3gas s PRO 118 Ca -0.04 2.25 0.08 0.00 0.02 0.00 0.00 61.00 63.31 3gas s PRO 118 Cb -0.00 -2.78 -0.05 0.00 0.02 0.00 0.00 34.50 31.69 3gas s PRO 118 CO -0.05 -0.54 0.13 -1.17 -0.33 0.00 0.00 177.00 175.04 3gas s LEU 119 N -2.42 3.08 0.00 -5.54 2.96 0.35 -2.45 118.68 114.66 3gas s LEU 119 Ca 0.57 -1.07 0.00 0.00 -0.22 0.00 0.00 54.13 53.40 3gas s LEU 119 Cb -0.40 -1.39 0.00 0.00 0.50 0.00 0.00 46.19 44.90 3gas s LEU 119 CO 0.52 -0.47 0.00 -1.54 -1.32 0.00 0.00 176.35 173.54 3gas n SER 121 N -1.16 0.00 -3.91 3.68 3.41 -1.26 -4.51 113.62 109.87 3gas n SER 121 Ca -0.02 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.28 3gas n SER 121 Cb 0.64 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.44 3gas n SER 121 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gas s ASP 122 N 0.00 4.42 1.71 4.04 2.15 -0.29 -4.75 116.67 123.95 3gas s ASP 122 Ca 0.00 -1.88 0.00 0.00 0.43 0.00 0.00 52.55 51.10 3gas s ASP 122 Cb 0.00 -1.31 0.00 0.00 -0.30 0.00 0.00 42.92 41.31 3gas s ASP 122 CO 0.00 -0.38 0.00 0.61 -0.17 0.00 0.00 175.17 175.23 3gas n GLY 123 N 4.51 3.10 0.01 2.66 0.00 -1.26 -2.11 105.19 112.10 3gas n GLY 123 Ca 0.00 -0.18 0.14 0.00 0.00 0.00 0.00 46.02 45.98 3gas n GLY 123 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3gas n LYS 124 N 13.43 0.04 -3.17 1.61 3.00 -1.26 -4.80 118.16 127.00 3gas n LYS 124 Ca 0.00 0.03 -0.40 0.00 -0.00 0.00 0.00 58.31 57.94 3gas n LYS 124 Cb 0.00 -1.54 -0.07 0.00 0.00 0.00 0.00 35.03 33.42 3gas n LYS 124 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 3gas s GLN 125 N -3.02 4.13 0.13 1.64 2.00 -0.90 -5.07 119.66 118.58 3gas s GLN 125 Ca 0.13 0.48 0.02 0.00 -2.00 0.00 0.00 55.36 53.99 3gas s GLN 125 Cb 0.18 -3.62 -0.04 0.00 0.80 0.00 0.00 33.01 30.33 3gas s GLN 125 CO 0.55 -0.31 0.24 0.71 -0.50 0.00 0.00 175.29 175.98 3gas s TYR 126 N 2.17 3.44 0.15 1.67 1.51 -1.26 -1.14 117.35 123.89 3gas s TYR 126 Ca 0.25 0.13 -0.08 0.00 -1.01 0.00 0.00 57.07 56.36 3gas s TYR 126 Cb -0.16 -1.67 -0.01 0.00 -0.11 0.00 0.00 41.96 40.01 3gas s TYR 126 CO 0.09 0.53 0.24 0.71 -1.11 0.00 0.00 175.55 176.01 3gas s TYR 127 N -1.67 0.42 0.22 2.71 2.02 -1.26 -1.13 117.35 118.65 3gas s TYR 127 Ca 0.34 -0.79 0.08 0.00 -0.37 0.00 0.00 57.07 56.32 3gas s TYR 127 Cb -0.11 -0.11 -0.05 0.00 -0.40 0.00 0.00 41.96 41.28 3gas s TYR 127 CO 0.28 -0.66 -0.13 0.96 -1.57 0.00 0.00 175.55 174.42 3gas s ILE 128 N -3.96 1.77 -0.13 2.71 -4.36 -0.08 -4.38 121.20 112.77 3gas s ILE 128 Ca 0.16 -2.21 -0.01 0.00 -0.26 0.00 0.00 60.65 58.33 3gas s ILE 128 Cb 0.04 -2.13 0.04 0.00 1.25 0.00 0.00 42.46 41.66 3gas s ILE 128 CO -0.02 -0.53 -0.02 -0.47 0.24 0.00 0.00 174.94 174.14 3gas s TYR 129 N -2.95 1.20 0.11 1.37 5.04 -1.03 -0.76 117.35 120.33 3gas s TYR 129 Ca 0.24 -0.68 0.02 0.00 -2.44 0.00 0.00 57.07 54.22 3gas s TYR 129 Cb -0.00 -1.08 -0.04 0.00 0.35 0.00 0.00 41.96 41.18 3gas s TYR 129 CO 0.08 -0.50 -0.07 0.14 -1.34 0.00 0.00 175.55 173.86 3gas s VAL 130 N 1.80 0.77 0.06 3.14 -7.23 -0.87 -4.18 120.40 113.89 3gas s VAL 130 Ca 0.03 -1.96 0.02 0.00 -1.81 0.00 0.00 61.98 58.26 3gas s VAL 130 Cb -0.14 -1.74 -0.04 0.00 0.56 0.00 0.00 36.38 35.02 3gas s VAL 130 CO -0.07 -0.82 0.06 -0.55 -0.31 0.00 0.00 175.10 173.41 3gas s SER 131 N -3.07 5.47 0.39 4.85 0.15 -1.26 0.21 113.70 120.44 3gas s SER 131 Ca 0.14 0.00 0.28 0.00 0.70 0.00 0.00 55.95 57.07 3gas s SER 131 Cb 0.05 -1.47 1.30 0.00 -1.71 0.00 0.00 66.02 64.19 3gas s SER 131 CO -0.03 0.20 1.84 -0.33 1.20 0.00 0.00 173.24 176.12 3gas h GLU 132 N 3.55 0.00 0.00 5.44 5.08 -1.14 -1.78 114.58 125.74 3gas h GLU 132 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3gas h GLU 132 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3gas h GLU 132 CO 0.64 0.00 0.00 1.33 -1.00 0.00 0.00 179.01 179.98 3gas n VAL 133 N -2.53 0.65 -3.30 3.13 0.24 -1.26 -4.82 118.33 110.43 3gas n VAL 133 Ca 0.00 -0.18 -0.32 0.00 -2.04 0.00 0.00 64.34 61.80 3gas n VAL 133 Cb 0.18 -0.71 -0.06 0.00 -1.47 0.00 0.00 33.84 31.78 3gas n VAL 133 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gas s ALA 134 N -3.15 3.47 0.41 2.33 0.00 -0.67 -4.99 121.76 119.16 3gas s ALA 134 Ca 0.09 -0.14 0.25 0.00 0.00 0.00 0.00 51.96 52.16 3gas s ALA 134 Cb 0.12 -2.57 1.35 0.00 0.00 0.00 0.00 23.12 22.02 3gas s ALA 134 CO 0.56 0.44 2.05 1.49 0.00 0.00 0.00 175.76 180.29 3gas h GLU 135 N 2.43 0.00 0.00 0.00 4.81 -1.87 -2.54 114.58 117.41 3gas h GLU 135 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3gas h GLU 135 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3gas h GLU 135 CO 0.68 0.14 0.00 -2.39 -0.73 0.00 0.00 179.01 176.70 3gas n HIS 136 N -3.75 0.70 -0.07 0.92 1.44 -1.26 -3.53 115.22 109.67 3gas n HIS 136 Ca -0.02 0.23 -0.10 0.00 -2.01 0.00 0.00 57.72 55.82 3gas n HIS 136 Cb 0.25 -0.88 -0.03 0.00 0.12 0.00 0.00 29.99 29.45 3gas n HIS 136 CO 0.00 0.00 0.00 0.35 -2.81 0.00 0.00 176.34 173.88 3gas h PHE 137 N 0.00 0.36 -0.98 -1.40 3.57 -1.68 -1.25 116.94 115.55 3gas h PHE 137 Ca 0.00 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.57 3gas h PHE 137 Cb 0.53 -0.11 -0.07 0.00 2.79 0.00 0.00 35.95 39.08 3gas h PHE 137 CO 0.00 0.33 0.62 0.00 -2.23 0.00 0.00 178.31 177.04 3gas h ALA 138 N 0.99 1.41 -0.16 2.41 0.00 -1.75 0.52 119.26 122.67 3gas h ALA 138 Ca 0.09 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 3gas h ALA 138 Cb 0.11 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3gas h ALA 138 CO -0.01 0.33 -0.62 0.78 0.00 0.00 0.00 179.25 179.72 3gas h GLY 139 N 1.07 0.63 1.94 0.00 0.00 -1.67 -0.48 103.07 104.56 3gas h GLY 139 Ca 0.45 -0.79 -0.09 0.00 0.00 0.00 0.00 47.33 46.90 3gas h GLY 139 CO -0.21 0.70 -0.41 1.41 0.00 0.00 0.00 176.54 178.03 3gas h LEU 140 N 0.42 0.07 0.09 3.11 3.38 -0.26 0.11 115.31 122.24 3gas h LEU 140 Ca -0.01 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 3gas h LEU 140 Cb 1.19 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.93 3gas h LEU 140 CO 0.12 0.48 -0.58 0.50 0.09 0.00 0.00 178.44 179.05 3gas h LYS 141 N 0.06 0.18 0.00 1.13 3.64 -0.80 -3.26 116.57 117.52 3gas h LYS 141 Ca 0.00 -0.31 -0.11 0.00 -1.27 0.00 0.00 60.65 58.97 3gas h LYS 141 Cb 0.76 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.67 3gas h LYS 141 CO 0.06 1.15 -1.08 -0.91 -2.27 0.00 0.00 179.45 176.39 3gas h ASN 142 N -0.61 0.00 -2.00 4.20 2.35 -1.09 -3.37 115.58 115.06 3gas h ASN 142 Ca -0.11 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.12 3gas h ASN 142 Cb 1.41 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 39.37 3gas h ASN 142 CO 0.08 0.40 -0.92 0.59 -1.65 0.00 0.00 177.43 175.92 3gas n ASN 143 N -2.91 2.75 0.30 5.81 5.03 0.38 -4.92 115.26 121.71 3gas n ASN 143 Ca -0.05 -3.33 0.20 0.00 0.87 0.00 0.00 54.58 52.27 3gas n ASN 143 Cb 0.74 -0.57 1.08 0.00 -1.02 0.00 0.00 39.78 40.00 3gas n ASN 143 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 3gas h PRO 144 N 2.96 0.00 -0.24 3.52 0.13 -1.62 -2.25 132.00 134.50 3gas h PRO 144 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3gas h PRO 144 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3gas h PRO 144 CO 0.66 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.15 3gas n HIS 145 N -2.89 0.78 -3.43 1.56 8.25 -1.26 -0.99 115.22 117.24 3gas n HIS 145 Ca -0.03 -0.84 -0.26 0.00 -0.26 0.00 0.00 57.72 56.33 3gas n HIS 145 Cb 0.07 -0.26 -0.09 0.00 1.12 0.00 0.00 29.99 30.83 3gas n HIS 145 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3gas n ASN 146 N -0.48 1.57 -3.91 0.41 2.85 -0.84 -4.85 115.26 110.00 3gas n ASN 146 Ca 0.19 -2.93 -0.12 0.00 -0.11 0.00 0.00 54.58 51.61 3gas n ASN 146 Cb 0.80 -0.65 -0.13 0.00 1.24 0.00 0.00 39.78 41.04 3gas n ASN 146 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3gas s VAL 147 N -1.33 0.10 -0.06 3.44 1.01 -1.24 -4.03 120.40 118.29 3gas s VAL 147 Ca 0.34 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.09 3gas s VAL 147 Cb 0.10 -0.13 -0.00 0.00 0.00 0.00 0.00 36.38 36.35 3gas s VAL 147 CO -0.11 -0.11 -0.18 -0.70 0.00 0.00 0.00 175.10 174.00 3gas s GLU 148 N -0.39 2.04 0.31 2.72 2.12 -0.79 -0.87 118.70 123.85 3gas s GLU 148 Ca -0.04 -0.64 0.03 0.00 0.36 0.00 0.00 54.97 54.68 3gas s GLU 148 Cb -0.03 -1.70 0.03 0.00 0.26 0.00 0.00 34.13 32.69 3gas s GLU 148 CO -0.00 0.20 0.24 0.28 -0.54 0.00 0.00 175.26 175.44 3gas n VAL 149 N 3.32 0.00 -3.48 3.70 0.31 -0.71 -1.35 118.33 120.11 3gas n VAL 149 Ca -0.19 -1.24 -0.02 0.00 -0.01 0.00 0.00 64.34 62.88 3gas n VAL 149 Cb 0.53 -0.24 -0.05 0.00 -0.91 0.00 0.00 33.84 33.17 3gas n VAL 149 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3gas s PHE 151 N -1.54 -1.26 -0.12 3.52 0.08 0.19 -1.37 117.98 117.49 3gas s PHE 151 Ca 0.18 1.85 0.03 0.00 0.12 0.00 0.00 56.93 59.11 3gas s PHE 151 Cb -0.01 0.56 0.01 0.00 -0.57 0.00 0.00 43.02 43.00 3gas s PHE 151 CO 0.12 -0.70 -0.22 -1.17 -0.10 0.00 0.00 175.22 173.15 3gas s LEU 152 N 2.80 2.04 0.44 -0.37 2.96 -1.26 -1.11 118.68 124.17 3gas s LEU 152 Ca 0.04 -0.56 -0.25 0.00 -0.22 0.00 0.00 54.13 53.14 3gas s LEU 152 Cb -0.13 -1.37 -0.08 0.00 0.50 0.00 0.00 46.19 45.10 3gas s LEU 152 CO -0.18 0.10 1.41 -0.70 -1.32 0.00 0.00 176.35 175.66 3gas s GLU 153 N 0.64 3.75 0.37 1.98 2.12 -0.07 -4.93 118.70 122.55 3gas s GLU 153 Ca -0.12 2.37 -0.28 0.00 0.36 0.00 0.00 54.97 57.30 3gas s GLU 153 Cb -0.16 -2.68 -0.11 0.00 0.26 0.00 0.00 34.13 31.44 3gas s GLU 153 CO 0.03 -0.75 1.51 -0.51 -0.54 0.00 0.00 175.26 175.00 3gas s ASP 154 N -0.54 6.32 0.30 -1.70 1.01 -1.26 -4.78 116.67 116.02 3gas s ASP 154 Ca 0.60 3.06 -0.00 0.00 0.71 0.00 0.00 52.55 56.92 3gas s ASP 154 Cb -0.43 -2.67 0.50 0.00 1.01 0.00 0.00 42.92 41.34 3gas s ASP 154 CO 0.55 -0.90 1.93 -0.08 0.21 0.00 0.00 175.17 176.88 3gas h GLU 155 N 3.21 1.03 0.00 8.23 4.81 -1.96 0.04 114.58 129.94 3gas h GLU 155 Ca -0.50 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 3gas h GLU 155 Cb 1.24 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.39 3gas h GLU 155 CO 0.66 0.68 0.00 -1.13 -0.73 0.00 0.00 179.01 178.49 3gas n SER 156 N -4.47 0.00 -0.00 1.04 3.41 -1.26 -2.66 113.62 109.68 3gas n SER 156 Ca 0.13 0.49 0.06 0.00 -0.26 0.00 0.00 58.87 59.29 3gas n SER 156 Cb 0.15 -0.50 -0.09 0.00 -0.26 0.00 0.00 64.21 63.52 3gas n SER 156 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3gas n LYS 157 N -1.50 1.50 -1.70 4.33 5.02 -0.10 -5.04 118.16 120.67 3gas n LYS 157 Ca 0.04 -0.07 -0.31 0.00 -2.02 0.00 0.00 58.31 55.95 3gas n LYS 157 Cb 0.17 -1.21 0.04 0.00 -0.02 0.00 0.00 35.03 34.01 3gas n LYS 157 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gas s ALA 158 N -2.58 2.68 0.26 7.82 0.00 -0.60 -4.97 121.76 124.38 3gas s ALA 158 Ca -0.01 0.18 -0.05 0.00 0.00 0.00 0.00 51.96 52.08 3gas s ALA 158 Cb 0.09 -3.19 0.29 0.00 0.00 0.00 0.00 23.12 20.31 3gas s ALA 158 CO 0.53 -1.12 1.93 0.87 0.00 0.00 0.00 175.76 177.97 3gas h LYS 159 N -0.40 1.28 -2.71 0.00 1.79 -1.86 -3.46 116.57 111.21 3gas h LYS 159 Ca -0.45 -0.08 0.09 0.00 -2.18 0.00 0.00 60.65 58.04 3gas h LYS 159 Cb 1.21 -0.29 -0.03 0.00 -1.58 0.00 0.00 32.23 31.54 3gas h LYS 159 CO 0.57 0.85 0.41 -1.54 -1.08 0.00 0.00 179.45 178.66 3gas s SER 160 N -6.16 -0.07 0.46 0.86 1.04 -1.25 -4.66 113.70 103.92 3gas s SER 160 Ca -0.13 -0.77 0.21 0.00 0.48 0.00 0.00 55.95 55.75 3gas s SER 160 Cb 0.18 0.65 1.11 0.00 0.10 0.00 0.00 66.02 68.06 3gas s SER 160 CO 0.82 -1.26 1.96 0.00 0.98 0.00 0.00 173.24 175.74 3gas h ALA 161 N 2.00 1.32 -0.01 5.32 0.00 -1.90 -2.46 119.26 123.54 3gas h ALA 161 Ca -0.27 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3gas h ALA 161 Cb 1.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3gas h ALA 161 CO 0.34 0.27 -0.17 0.44 0.00 0.00 0.00 179.25 180.12 3gas n ILE 162 N -3.82 0.00 -3.24 0.00 -5.35 -1.26 -4.42 119.36 101.27 3gas n ILE 162 Ca -0.02 -0.21 -0.24 0.00 -0.27 0.00 0.00 62.75 62.01 3gas n ILE 162 Cb 0.31 0.62 -0.07 0.00 -1.74 0.00 0.00 39.64 38.76 3gas n ILE 162 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 3gas n LEU 163 N -0.14 1.33 -4.67 7.28 7.94 -0.92 -5.06 117.00 122.75 3gas n LEU 163 Ca 0.14 -4.96 -0.38 0.00 -1.11 0.00 0.00 56.01 49.71 3gas n LEU 163 Cb 0.38 0.27 -0.07 0.00 0.53 0.00 0.00 43.42 44.53 3gas n LEU 163 CO 0.22 2.10 0.12 -0.13 -1.11 0.00 0.00 177.39 178.59 3gas s ARG 164 N -1.73 4.19 0.42 1.96 0.52 -1.24 -3.57 118.95 119.50 3gas s ARG 164 Ca 0.37 0.25 -0.26 0.00 -0.52 0.00 0.00 55.73 55.57 3gas s ARG 164 Cb 0.19 -3.53 -0.09 0.00 0.52 0.00 0.00 34.95 32.04 3gas s ARG 164 CO -0.08 -0.03 1.37 0.15 0.02 0.00 0.00 175.30 176.73 3gas s LYS 165 N 1.28 3.85 -0.02 3.54 1.02 -1.26 -4.77 119.74 123.38 3gas s LYS 165 Ca 0.20 2.31 -0.09 0.00 0.02 0.00 0.00 55.97 58.42 3gas s LYS 165 Cb -0.15 -2.73 0.01 0.00 -0.52 0.00 0.00 37.83 34.44 3gas s LYS 165 CO 0.08 -0.64 0.19 -0.98 -0.92 0.00 0.00 175.35 173.08 3gas s ARG 166 N -2.32 0.45 -0.14 1.68 1.70 -0.88 -0.90 118.95 118.54 3gas s ARG 166 Ca 0.58 -0.16 -0.02 0.00 -0.47 0.00 0.00 55.73 55.66 3gas s ARG 166 Cb -0.41 0.19 0.04 0.00 -0.57 0.00 0.00 34.95 34.20 3gas s ARG 166 CO 0.53 -0.10 0.00 -1.17 -1.08 0.00 0.00 175.30 173.49 3gas s LEU 167 N -0.94 1.02 -0.03 -1.89 2.96 -0.27 -0.85 118.68 118.67 3gas s LEU 167 Ca -0.10 -0.49 0.07 0.00 -0.22 0.00 0.00 54.13 53.39 3gas s LEU 167 Cb -0.05 -0.60 -0.02 0.00 0.50 0.00 0.00 46.19 46.02 3gas s LEU 167 CO 0.02 -0.24 -0.25 -0.13 -1.32 0.00 0.00 176.35 174.43 3gas s ARG 168 N 1.86 2.21 -0.04 1.98 0.52 0.02 -0.63 118.95 124.88 3gas s ARG 168 Ca 0.02 -0.89 0.02 0.00 -0.52 0.00 0.00 55.73 54.37 3gas s ARG 168 Cb -0.15 -2.02 0.01 0.00 0.52 0.00 0.00 34.95 33.31 3gas s ARG 168 CO -0.07 0.47 -0.10 0.71 0.02 0.00 0.00 175.30 176.33 3gas s TYR 169 N -0.40 1.07 0.16 -0.53 2.02 -0.47 0.03 117.35 119.22 3gas s TYR 169 Ca 0.04 -0.30 -0.30 0.00 -0.37 0.00 0.00 57.07 56.14 3gas s TYR 169 Cb -0.11 -0.78 -0.08 0.00 -0.40 0.00 0.00 41.96 40.59 3gas s TYR 169 CO 0.01 -0.14 1.31 0.15 -1.57 0.00 0.00 175.55 175.30 3gas s LYS 170 N 0.34 4.39 0.01 -0.62 1.02 0.54 -1.74 119.74 123.67 3gas s LYS 170 Ca -0.06 2.00 0.03 0.00 0.02 0.00 0.00 55.97 57.97 3gas s LYS 170 Cb -0.11 -3.23 -0.01 0.00 -0.52 0.00 0.00 37.83 33.96 3gas s LYS 170 CO 0.01 -0.29 -0.11 0.99 -0.92 0.00 0.00 175.35 175.04 3gas s THR 171 N 0.48 0.83 -0.17 2.17 2.01 -0.05 -0.90 115.64 120.01 3gas s THR 171 Ca 0.59 -0.62 -0.06 0.00 0.31 0.00 0.00 61.69 61.90 3gas s THR 171 Cb -0.35 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 3gas s THR 171 CO 0.35 0.11 0.04 0.20 -0.69 0.00 0.00 174.62 174.62 3gas s ASN 172 N -0.58 5.43 0.26 3.53 0.01 -0.45 -3.66 114.94 119.49 3gas s ASN 172 Ca 0.02 0.05 0.10 0.00 -0.71 0.00 0.00 52.86 52.32 3gas s ASN 172 Cb -0.05 -1.90 -0.04 0.00 0.41 0.00 0.00 41.25 39.66 3gas s ASN 172 CO 0.00 0.19 -0.07 0.42 -1.51 0.00 0.00 177.10 176.13 3gas s THR 173 N 0.26 3.15 -0.09 1.60 -4.23 -0.16 -0.73 115.64 115.44 3gas s THR 173 Ca 0.02 -2.03 -0.22 0.00 -1.18 0.00 0.00 61.69 58.28 3gas s THR 173 Cb -0.13 -2.67 0.05 0.00 1.34 0.00 0.00 72.50 71.10 3gas s THR 173 CO 0.01 -0.36 0.51 0.00 -0.54 0.00 0.00 174.62 174.24 3gas s ARG 174 N -3.55 0.79 0.32 3.99 1.70 -0.96 -4.75 118.95 116.49 3gas s ARG 174 Ca 0.30 0.27 -0.27 0.00 -0.47 0.00 0.00 55.73 55.57 3gas s ARG 174 Cb -0.06 0.37 -0.10 0.00 -0.57 0.00 0.00 34.95 34.59 3gas s ARG 174 CO 0.18 -0.20 0.97 -0.06 -1.08 0.00 0.00 175.30 175.11 3gas s PHE 175 N -0.75 3.67 -0.19 5.89 0.08 -1.26 -0.50 117.98 124.92 3gas s PHE 175 Ca -0.08 1.78 -0.02 0.00 0.12 0.00 0.00 56.93 58.72 3gas s PHE 175 Cb -0.03 -2.99 -0.01 0.00 -0.57 0.00 0.00 43.02 39.42 3gas s PHE 175 CO 0.05 0.07 -0.08 0.42 -0.10 0.00 0.00 175.22 175.58 3gas s ILE 176 N -1.51 3.15 0.67 0.64 -1.09 0.08 -4.85 121.20 118.28 3gas s ILE 176 Ca 0.49 -0.58 -0.12 0.00 -2.23 0.00 0.00 60.65 58.21 3gas s ILE 176 Cb -0.22 -2.40 -0.01 0.00 -1.58 0.00 0.00 42.46 38.26 3gas s ILE 176 CO 0.27 0.46 1.06 -1.61 -1.23 0.00 0.00 174.94 173.89 3gas s GLU 177 N 1.19 3.08 0.59 2.79 0.41 -1.26 -4.20 118.70 121.29 3gas s GLU 177 Ca 0.02 0.99 -0.20 0.00 -0.41 0.00 0.00 54.97 55.37 3gas s GLU 177 Cb -0.14 -2.01 -0.04 0.00 -1.78 0.00 0.00 34.13 30.16 3gas s GLU 177 CO -0.03 -0.99 1.23 0.54 -0.49 0.00 0.00 175.26 175.53 3gas n ARG 178 N -2.86 1.30 -2.37 1.61 5.12 -1.26 -4.40 116.66 113.79 3gas n ARG 178 Ca 0.08 0.49 0.00 0.00 -1.93 0.00 0.00 57.85 56.49 3gas n ARG 178 Cb 0.53 -2.45 0.00 0.00 -1.16 0.00 0.00 32.46 29.39 3gas n ARG 178 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3gas n GLY 179 N 0.95 -0.05 0.12 -0.13 0.00 -1.26 -4.90 105.19 99.93 3gas n GLY 179 Ca 0.13 -1.45 -0.07 0.00 0.00 0.00 0.00 46.02 44.63 3gas n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gas h ALA 180 N 0.00 0.20 -0.75 4.61 0.00 -1.99 -0.08 119.26 121.25 3gas h ALA 180 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3gas h ALA 180 Cb 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3gas h ALA 180 CO 0.00 -0.44 0.38 1.49 0.00 0.00 0.00 179.25 180.68 3gas h GLU 181 N 0.04 1.06 -0.00 0.00 4.81 -1.93 -0.53 114.58 118.03 3gas h GLU 181 Ca 0.12 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3gas h GLU 181 Cb 0.18 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 3gas h GLU 181 CO -0.24 0.81 0.00 0.35 -0.73 0.00 0.00 179.01 179.20 3gas h PHE 182 N 1.04 0.00 -0.39 0.92 3.57 -1.64 -2.06 116.94 118.38 3gas h PHE 182 Ca 0.26 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.71 3gas h PHE 182 Cb 0.08 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 3gas h PHE 182 CO 0.00 0.01 0.06 -0.44 -2.23 0.00 0.00 178.31 175.71 3gas h ASP 183 N -0.01 0.55 -0.20 0.41 3.32 -0.76 -0.82 116.42 118.92 3gas h ASP 183 Ca 0.00 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 3gas h ASP 183 Cb 0.01 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 3gas h ASP 183 CO -0.00 0.58 0.01 0.50 -1.72 0.00 0.00 179.24 178.61 3gas h LYS 184 N 0.57 0.35 -0.58 3.56 3.64 -0.82 0.21 116.57 123.51 3gas h LYS 184 Ca 0.13 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 3gas h LYS 184 Cb 0.28 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 3gas h LYS 184 CO 0.00 0.54 0.16 0.00 -2.27 0.00 0.00 179.45 177.88 3gas h ALA 185 N 0.80 0.76 -0.49 5.00 0.00 -1.15 -2.34 119.26 121.83 3gas h ALA 185 Ca 0.06 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 3gas h ALA 185 Cb 0.38 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3gas h ALA 185 CO 0.01 0.45 -0.04 0.35 0.00 0.00 0.00 179.25 180.02 3gas h PHE 186 N 0.82 0.98 -0.38 0.00 3.57 -1.05 -1.37 116.94 119.51 3gas h PHE 186 Ca 0.18 -0.18 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 3gas h PHE 186 Cb 0.32 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 3gas h PHE 186 CO 0.02 0.93 0.10 -0.44 -2.23 0.00 0.00 178.31 176.70 3gas h ASP 187 N 0.75 0.51 -0.52 0.41 3.32 -0.87 0.25 116.42 120.26 3gas h ASP 187 Ca 0.13 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 3gas h ASP 187 Cb 0.57 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 3gas h ASP 187 CO 0.03 0.50 -0.06 -1.28 -1.72 0.00 0.00 179.24 176.71 3gas h SER 188 N 0.55 0.96 -0.59 6.45 0.87 -1.12 -0.47 113.55 120.20 3gas h SER 188 Ca 0.13 -0.34 -0.04 0.00 -1.23 0.00 0.00 61.79 60.31 3gas h SER 188 Cb 0.19 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 3gas h SER 188 CO -0.01 1.07 0.21 0.15 -0.53 0.00 0.00 176.83 177.73 3gas h PHE 189 N 0.84 0.92 -0.74 2.24 3.57 -0.28 0.43 116.94 123.92 3gas h PHE 189 Ca 0.14 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 3gas h PHE 189 Cb 0.62 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 3gas h PHE 189 CO 0.04 0.75 0.29 0.82 -2.23 0.00 0.00 178.31 177.99 3gas h ILE 190 N 0.82 1.25 -0.37 1.41 2.04 -0.70 -0.89 117.51 121.07 3gas h ILE 190 Ca 0.19 -0.80 -0.08 0.00 1.00 0.00 0.00 64.86 65.17 3gas h ILE 190 Cb 0.24 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3gas h ILE 190 CO -0.01 0.32 -0.09 -0.08 0.00 0.00 0.00 178.15 178.29 3gas h GLU 191 N 1.06 0.71 -0.36 2.37 4.81 -0.67 -0.43 114.58 122.07 3gas h GLU 191 Ca 0.25 -0.27 -0.16 0.00 -0.13 0.00 0.00 59.36 59.04 3gas h GLU 191 Cb 0.22 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 3gas h GLU 191 CO -0.02 0.86 -0.40 -0.22 -0.73 0.00 0.00 179.01 178.50 3gas h LYS 192 N 0.50 0.89 0.00 1.92 3.64 -0.76 -3.28 116.57 119.48 3gas h LYS 192 Ca 0.09 -0.47 -0.10 0.00 -1.27 0.00 0.00 60.65 58.89 3gas h LYS 192 Cb 0.60 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 3gas h LYS 192 CO 0.04 1.12 -0.88 1.79 -2.27 0.00 0.00 179.45 179.25 3gas h THR 193 N 0.72 0.53 0.00 1.00 1.35 -1.21 -3.48 112.91 111.83 3gas h THR 193 Ca 0.06 -1.85 0.00 0.00 -0.55 0.00 0.00 66.41 64.06 3gas h THR 193 Cb 0.99 2.11 0.00 0.00 -1.73 0.00 0.00 68.15 69.51 3gas h THR 193 CO 0.10 0.30 0.00 0.61 -0.25 0.00 0.00 175.52 176.28 3gas n GLY 194 N 1.27 2.00 2.58 5.82 0.00 -0.24 -4.70 105.19 111.92 3gas n GLY 194 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3gas n GLY 194 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gas n GLY 195 N -1.43 0.43 4.00 -0.02 0.00 -0.76 -4.92 105.19 102.49 3gas n GLY 195 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3gas n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gas s ALA 196 N -2.04 4.00 0.00 4.61 0.00 -1.26 -4.10 121.76 122.97 3gas s ALA 196 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 51.96 50.12 3gas s ALA 196 Cb 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.27 3gas s ALA 196 CO 0.00 -1.27 0.00 0.41 0.00 0.00 0.00 175.76 174.90 3gas n GLY 197 N -2.65 0.50 0.00 0.00 0.00 -1.26 -3.89 105.19 97.90 3gas n GLY 197 Ca 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3gas n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gas n GLY 198 N -2.96 1.01 0.31 -0.02 0.00 -1.26 -4.98 105.19 97.28 3gas n GLY 198 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 3gas n GLY 198 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3gas h ILE 199 N 0.00 1.10 -0.17 -0.61 2.04 -1.78 -0.97 117.51 117.12 3gas h ILE 199 Ca 0.00 -0.33 -0.11 0.00 1.00 0.00 0.00 64.86 65.42 3gas h ILE 199 Cb 0.00 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.11 3gas h ILE 199 CO 0.00 0.18 -0.36 0.11 0.00 0.00 0.00 178.15 178.08 3gas h LYS 200 N 0.97 0.35 -0.04 2.37 1.57 -1.88 -2.73 116.57 117.18 3gas h LYS 200 Ca 0.33 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 3gas h LYS 200 Cb 0.05 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 3gas h LYS 200 CO -0.13 0.67 -0.00 1.15 -0.57 0.00 0.00 179.45 180.57 3gas h THR 201 N 0.30 1.27 0.00 -0.16 2.02 -1.77 -3.10 112.91 111.47 3gas h THR 201 Ca 0.03 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.39 3gas h THR 201 Cb 0.78 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 3gas h THR 201 CO 0.06 0.22 0.00 0.16 0.37 0.00 0.00 175.52 176.33 3gas h ILE 202 N -0.25 0.00 -0.43 3.11 3.07 -1.10 -1.87 117.51 120.05 3gas h ILE 202 Ca 0.01 -0.32 -0.02 0.00 1.55 0.00 0.00 64.86 66.09 3gas h ILE 202 Cb 0.36 1.19 -0.02 0.00 -0.27 0.00 0.00 36.82 38.08 3gas h ILE 202 CO 0.00 0.00 0.20 -0.09 -1.05 0.00 0.00 178.15 177.21 3gas h ARG 203 N 0.00 0.59 -5.29 0.16 2.43 -1.40 -3.45 114.38 107.42 3gas h ARG 203 Ca 0.00 -0.07 -0.70 0.00 -0.81 0.00 0.00 59.98 58.40 3gas h ARG 203 Cb 0.36 -0.12 -0.14 0.00 -0.42 0.00 0.00 29.97 29.66 3gas h ARG 203 CO 0.00 0.47 1.63 0.00 -1.51 0.00 0.00 179.97 180.56 3gas s ALA 204 N -5.35 3.60 0.00 2.80 0.00 -0.71 -5.06 121.76 117.05 3gas s ALA 204 Ca -0.08 -3.06 0.00 0.00 0.00 0.00 0.00 51.96 48.81 3gas s ALA 204 Cb 0.17 -4.34 0.00 0.00 0.00 0.00 0.00 23.12 18.94 3gas s ALA 204 CO 0.75 -3.05 0.00 1.04 0.00 0.00 0.00 175.76 174.50 3gas n GLN 206 N 6.99 0.38 0.00 0.00 1.13 -1.26 -5.05 117.38 119.56 3gas n GLN 206 Ca 0.40 0.00 0.14 0.00 -1.94 0.00 0.00 57.00 55.60 3gas n GLN 206 Cb 0.45 -0.03 0.66 0.00 0.11 0.00 0.00 30.24 31.43 3gas n GLN 206 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3gas n ASP 207 N -0.02 0.11 -4.85 1.08 5.75 -1.26 -4.77 116.55 112.59 3gas n ASP 207 Ca 0.00 -0.02 -0.38 0.00 -0.01 0.00 0.00 54.79 54.39 3gas n ASP 207 Cb 0.00 -0.28 -0.06 0.00 -1.03 0.00 0.00 41.12 39.74 3gas n ASP 207 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 3gas s PHE 208 N -2.72 3.68 -0.00 2.11 0.08 -1.26 -0.43 117.98 119.44 3gas s PHE 208 Ca 0.23 0.81 0.05 0.00 0.12 0.00 0.00 56.93 58.14 3gas s PHE 208 Cb 0.20 -2.16 -0.01 0.00 -0.57 0.00 0.00 43.02 40.48 3gas s PHE 208 CO 0.50 0.68 -0.16 -1.01 -0.10 0.00 0.00 175.22 175.13 3gas s HIS 209 N -1.04 1.39 -0.08 0.36 3.76 0.13 -4.95 115.29 114.87 3gas s HIS 209 Ca 0.20 -0.28 -0.23 0.00 -0.15 0.00 0.00 55.06 54.60 3gas s HIS 209 Cb -0.15 -0.88 -0.04 0.00 1.11 0.00 0.00 32.58 32.63 3gas s HIS 209 CO 0.10 -0.01 0.70 -1.17 -0.85 0.00 0.00 174.74 173.51 3gas s LEU 210 N -0.52 4.30 -0.13 0.89 2.96 -1.26 -2.04 118.68 122.88 3gas s LEU 210 Ca 0.05 1.17 0.00 0.00 -0.22 0.00 0.00 54.13 55.14 3gas s LEU 210 Cb -0.06 -3.08 0.02 0.00 0.50 0.00 0.00 46.19 43.57 3gas s LEU 210 CO -0.00 -0.13 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.14 3gas s ILE 211 N 0.91 1.37 0.31 6.68 1.01 0.06 -0.74 121.20 130.78 3gas s ILE 211 Ca 0.37 -0.51 -0.28 0.00 0.00 0.00 0.00 60.65 60.23 3gas s ILE 211 Cb -0.18 -1.31 -0.09 0.00 0.01 0.00 0.00 42.46 40.90 3gas s ILE 211 CO 0.17 0.42 1.02 0.00 0.00 0.00 0.00 174.94 176.56 3gas s ALA 212 N 1.47 3.28 -0.19 9.38 0.00 0.35 -0.90 121.76 135.14 3gas s ALA 212 Ca 0.03 0.72 -0.05 0.00 0.00 0.00 0.00 51.96 52.66 3gas s ALA 212 Cb -0.13 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 3gas s ALA 212 CO -0.08 -0.03 0.00 -0.51 0.00 0.00 0.00 175.76 175.13 3gas s LEU 213 N -1.79 3.31 -0.36 0.00 1.43 -0.29 -2.27 118.68 118.71 3gas s LEU 213 Ca 0.48 -0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.40 3gas s LEU 213 Cb -0.26 -1.83 0.09 0.00 0.03 0.00 0.00 46.19 44.22 3gas s LEU 213 CO 0.33 0.09 0.11 -0.62 0.23 0.00 0.00 176.35 176.49 3gas s ASP 214 N 0.86 5.05 0.24 2.29 2.15 0.09 -4.42 116.67 122.92 3gas s ASP 214 Ca 0.01 -1.83 -0.30 0.00 0.43 0.00 0.00 52.55 50.86 3gas s ASP 214 Cb -0.14 -1.75 -0.09 0.00 -0.30 0.00 0.00 42.92 40.64 3gas s ASP 214 CO 0.02 -0.43 1.12 -0.36 -0.17 0.00 0.00 175.17 175.35 3gas s PHE 215 N 1.13 3.55 0.00 -5.34 0.08 -1.26 -1.34 117.98 114.80 3gas s PHE 215 Ca 0.05 1.62 0.00 0.00 0.12 0.00 0.00 56.93 58.72 3gas s PHE 215 Cb -0.21 -3.31 0.00 0.00 -0.57 0.00 0.00 43.02 38.93 3gas s PHE 215 CO -0.04 -0.69 0.00 1.63 -0.10 0.00 0.00 175.22 176.02 3gas n LYS 216 N 1.74 0.00 -1.90 0.44 4.76 -0.08 -4.84 118.16 118.28 3gas n LYS 216 Ca 0.01 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.03 3gas n LYS 216 Cb 0.45 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.61 3gas n LYS 216 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3gas s GLU 217 N 3.46 4.20 0.17 1.97 8.01 -1.26 -4.54 118.70 130.72 3gas s GLU 217 Ca 0.00 2.41 0.06 0.00 0.01 0.00 0.00 54.97 57.45 3gas s GLU 217 Cb 0.00 -3.12 -0.05 0.00 -4.31 0.00 0.00 34.13 26.65 3gas s GLU 217 CO 0.00 -0.60 -0.12 0.20 0.01 0.00 0.00 175.26 174.75 3gas s GLY 218 N 0.94 1.23 -0.06 -1.39 0.00 0.11 -0.34 107.32 107.81 3gas s GLY 218 Ca 0.68 -1.57 0.01 0.00 0.00 0.00 0.00 44.72 43.84 3gas s GLY 218 CO 0.35 -1.66 -0.05 -1.60 0.00 0.00 0.00 173.10 170.14 3gas s ARG 219 N -3.70 0.98 -0.12 2.90 6.06 0.10 -0.22 118.95 124.94 3gas s ARG 219 Ca 0.19 -0.13 0.02 0.00 -2.50 0.00 0.00 55.73 53.32 3gas s ARG 219 Cb 0.01 -1.01 -0.00 0.00 0.06 0.00 0.00 34.95 34.01 3gas s ARG 219 CO 0.03 -0.12 -0.20 0.12 -2.50 0.00 0.00 175.30 172.63 3gas s PHE 220 N 1.12 2.66 -0.15 5.12 5.36 -0.23 -0.80 117.98 131.07 3gas s PHE 220 Ca -0.08 -0.99 0.00 0.00 -0.96 0.00 0.00 56.93 54.90 3gas s PHE 220 Cb -0.14 -1.78 0.02 0.00 -0.34 0.00 0.00 43.02 40.78 3gas s PHE 220 CO -0.01 -0.41 -0.14 0.08 -1.46 0.00 0.00 175.22 173.28 3gas s VAL 221 N 0.47 1.57 -0.16 3.12 1.01 -0.03 -0.58 120.40 125.81 3gas s VAL 221 Ca -0.14 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.23 3gas s VAL 221 Cb -0.17 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 3gas s VAL 221 CO 0.06 0.46 0.20 2.29 0.00 0.00 0.00 175.10 178.11 3gas n LYS 222 N 4.76 4.77 -3.79 2.72 2.85 -0.77 -2.08 118.16 126.63 3gas n LYS 222 Ca -0.17 -0.14 0.00 0.00 -1.05 0.00 0.00 58.31 56.95 3gas n LYS 222 Cb 0.50 -0.70 0.00 0.00 -0.65 0.00 0.00 35.03 34.18 3gas n LYS 222 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3gas s GLY 223 N -1.01 -0.21 0.07 2.58 0.00 -1.23 -4.91 107.32 102.62 3gas s GLY 223 Ca 0.01 0.23 -0.31 0.00 0.00 0.00 0.00 44.72 44.66 3gas s GLY 223 CO 0.08 2.11 1.47 -1.36 0.00 0.00 0.00 173.10 175.41 3gas s PHE 224 N -2.37 2.91 -1.16 1.90 0.08 -1.26 -1.53 117.98 116.55 3gas s PHE 224 Ca 0.20 0.73 0.00 0.00 0.12 0.00 0.00 56.93 57.98 3gas s PHE 224 Cb 0.01 -3.77 0.00 0.00 -0.57 0.00 0.00 43.02 38.69 3gas s PHE 224 CO -0.00 -2.86 0.00 0.41 -0.10 0.00 0.00 175.22 172.66 3gas n GLY 225 N 3.69 0.99 2.30 4.36 0.00 -1.26 -4.92 105.19 110.35 3gas n GLY 225 Ca 0.13 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 3gas n GLY 225 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gas n GLN 226 N -2.56 1.44 -4.79 1.61 6.02 -0.58 -4.88 117.38 113.64 3gas n GLN 226 Ca -0.12 -3.78 -0.32 0.00 -0.01 0.00 0.00 57.00 52.77 3gas n GLN 226 Cb 0.42 -1.64 -0.13 0.00 1.02 0.00 0.00 30.24 29.91 3gas n GLN 226 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gas s ALA 227 N -1.83 2.68 0.02 -1.58 0.00 -1.26 -1.84 121.76 117.95 3gas s ALA 227 Ca 0.38 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 51.32 3gas s ALA 227 Cb 0.19 -0.92 -0.02 0.00 0.00 0.00 0.00 23.12 22.37 3gas s ALA 227 CO -0.08 0.57 -0.09 0.71 0.00 0.00 0.00 175.76 176.87 3gas s TYR 228 N -0.81 0.77 -0.10 0.00 2.02 0.25 -1.00 117.35 118.49 3gas s TYR 228 Ca 0.13 -0.29 -0.06 0.00 -0.37 0.00 0.00 57.07 56.48 3gas s TYR 228 Cb -0.11 -0.47 -0.04 0.00 -0.40 0.00 0.00 41.96 40.94 3gas s TYR 228 CO 0.03 -0.02 0.14 -0.51 -1.57 0.00 0.00 175.55 173.61 3gas s ASP 229 N -0.85 6.31 0.03 2.29 1.01 0.31 -1.07 116.67 124.69 3gas s ASP 229 Ca -0.02 0.42 0.04 0.00 0.71 0.00 0.00 52.55 53.71 3gas s ASP 229 Cb -0.06 -2.02 -0.02 0.00 1.01 0.00 0.00 42.92 41.83 3gas s ASP 229 CO 0.00 0.38 -0.13 -0.63 0.21 0.00 0.00 175.17 175.00 3gas s ILE 230 N -1.08 1.02 -0.30 0.77 1.01 0.69 -1.06 121.20 122.24 3gas s ILE 230 Ca 0.17 -0.88 -0.09 0.00 0.00 0.00 0.00 60.65 59.85 3gas s ILE 230 Cb -0.12 -0.91 0.14 0.00 0.01 0.00 0.00 42.46 41.57 3gas s ILE 230 CO 0.07 0.03 0.65 -0.22 0.00 0.00 0.00 174.94 175.47 3gas s LEU 231 N -0.97 -1.17 0.00 2.97 2.96 -0.28 -0.71 118.68 121.49 3gas s LEU 231 Ca 0.01 1.49 0.00 0.00 -0.22 0.00 0.00 54.13 55.41 3gas s LEU 231 Cb -0.07 2.29 0.00 0.00 0.50 0.00 0.00 46.19 48.90 3gas s LEU 231 CO 0.01 -0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.42 3gas n GLY 232 N 5.44 3.52 1.57 7.98 0.00 -1.26 -0.71 105.19 121.72 3gas n GLY 232 Ca -0.11 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 45.90 3gas n GLY 232 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gas n ASP 233 N 5.56 4.65 -4.70 1.61 3.85 -1.26 -4.92 116.55 121.34 3gas n ASP 233 Ca 0.00 -2.45 -0.35 0.00 -0.71 0.00 0.00 54.79 51.28 3gas n ASP 233 Cb 0.00 -0.58 -0.09 0.00 -1.35 0.00 0.00 41.12 39.10 3gas n ASP 233 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 3gas s LYS 234 N -1.88 3.24 -0.01 0.11 1.02 0.11 -5.10 119.74 117.22 3gas s LYS 234 Ca 0.49 -0.35 0.01 0.00 0.02 0.00 0.00 55.97 56.14 3gas s LYS 234 Cb 0.32 -2.93 0.01 0.00 -0.52 0.00 0.00 37.83 34.71 3gas s LYS 234 CO 0.23 0.63 -0.01 -1.50 -0.92 0.00 0.00 175.35 173.79 3gas s ILE 235 N -0.67 0.17 -0.02 2.17 2.07 -1.26 -1.12 121.20 122.53 3gas s ILE 235 Ca 0.11 -0.02 0.02 0.00 -1.41 0.00 0.00 60.65 59.35 3gas s ILE 235 Cb -0.12 -0.19 0.00 0.00 0.13 0.00 0.00 42.46 42.28 3gas s ILE 235 CO 0.02 0.09 -0.07 0.00 -1.91 0.00 0.00 174.94 173.07 3gas s ALA 236 N 0.37 0.71 0.36 1.50 0.00 -0.22 -4.97 121.76 119.51 3gas s ALA 236 Ca -0.03 -0.26 -0.27 0.00 0.00 0.00 0.00 51.96 51.39 3gas s ALA 236 Cb -0.06 -0.27 -0.09 0.00 0.00 0.00 0.00 23.12 22.69 3gas s ALA 236 CO -0.01 0.11 1.26 -0.47 0.00 0.00 0.00 175.76 176.66 3gas s TYR 237 N 0.21 3.04 -0.21 0.00 5.04 -1.26 -0.53 117.35 123.63 3gas s TYR 237 Ca -0.03 1.46 0.21 0.00 -2.44 0.00 0.00 57.07 56.27 3gas s TYR 237 Cb -0.08 -3.59 -0.02 0.00 0.35 0.00 0.00 41.96 38.62 3gas s TYR 237 CO 0.00 -1.71 1.02 0.28 -1.34 0.00 0.00 175.55 173.80 3gas h VAL 238 N 2.77 0.14 -1.81 3.14 2.07 -1.43 -3.42 116.25 117.71 3gas h VAL 238 Ca -0.49 -1.27 -0.66 0.00 0.82 0.00 0.00 66.70 65.10 3gas h VAL 238 Cb 1.23 1.67 -0.36 0.00 -1.52 0.00 0.00 31.29 32.31 3gas h VAL 238 CO 0.64 0.08 -0.05 0.61 0.02 0.00 0.00 177.57 178.88 3gas n GLY 239 N 1.23 5.82 0.29 2.17 0.00 -1.26 -4.73 105.19 108.71 3gas n GLY 239 Ca -0.02 -2.67 0.05 0.00 0.00 0.00 0.00 46.02 43.38 3gas n GLY 239 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gas h ASP 240 N 2.87 0.29 0.00 1.61 3.32 -1.99 -0.95 116.42 121.57 3gas h ASP 240 Ca 0.38 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.42 3gas h ASP 240 Cb 0.55 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3gas h ASP 240 CO 1.05 0.23 0.00 0.29 -1.72 0.00 0.00 179.24 179.09 3gas n LYS 241 N -4.48 0.85 -0.18 3.56 5.02 -1.26 -5.01 118.16 116.66 3gas n LYS 241 Ca 0.01 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.32 3gas n LYS 241 Cb 0.09 -1.45 -0.01 0.00 -0.02 0.00 0.00 35.03 33.64 3gas n LYS 241 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gas n GLY 242 N 0.67 -1.57 1.84 0.72 0.00 -0.36 -4.86 105.19 101.62 3gas n GLY 242 Ca 0.18 -1.48 -0.34 0.00 0.00 0.00 0.00 46.02 44.39 3gas n GLY 242 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3gas n ASN 243 N -1.85 0.44 -0.26 1.61 2.85 -0.83 -4.81 115.26 112.42 3gas n ASN 243 Ca -0.00 0.41 0.13 0.00 -0.11 0.00 0.00 54.58 55.00 3gas n ASN 243 Cb 0.08 -0.50 0.30 0.00 1.24 0.00 0.00 39.78 40.91 3gas n ASN 243 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3gas n PRO 244 N 3.97 0.82 -1.26 1.20 -0.04 -1.26 -4.60 135.00 133.83 3gas n PRO 244 Ca 0.29 -0.53 -0.30 0.00 -0.04 0.00 0.00 63.50 62.93 3gas n PRO 244 Cb -0.02 -1.49 0.14 0.00 -0.04 0.00 0.00 33.50 32.08 3gas n PRO 244 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3gas s HIS 245 N -2.54 2.36 -1.51 0.54 3.76 -1.26 -3.44 115.29 113.21 3gas s HIS 245 Ca 0.22 1.19 -0.04 0.00 -0.15 0.00 0.00 55.06 56.28 3gas s HIS 245 Cb 0.19 -3.18 0.02 0.00 1.11 0.00 0.00 32.58 30.71 3gas s HIS 245 CO 0.55 -2.38 0.40 0.09 -0.85 0.00 0.00 174.74 172.54 3gas n ASN 246 N -3.86 -5.44 -3.55 1.40 4.13 -1.26 -2.08 115.26 104.60 3gas n ASN 246 Ca 0.07 -0.20 -0.26 0.00 1.68 0.00 0.00 54.58 55.87 3gas n ASN 246 Cb 0.56 -4.45 0.03 0.00 -1.54 0.00 0.00 39.78 34.37 3gas n ASN 246 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3gas n PHE 247 N -4.19 -2.20 -0.36 3.10 3.72 -1.24 -4.95 117.46 111.33 3gas n PHE 247 Ca -0.13 0.74 -0.18 0.00 -0.05 0.00 0.00 57.45 57.83 3gas n PHE 247 Cb 0.62 -4.00 0.17 0.00 -0.94 0.00 0.00 39.48 35.33 3gas n PHE 247 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gas n ALA 248 N -4.22 -2.79 -0.56 4.37 0.00 -0.88 -5.13 120.51 111.29 3gas n ALA 248 Ca -0.01 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.49 3gas n ALA 248 Cb 0.55 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.93 3gas n ALA 248 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22