#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gas h ASN 3 N 0.00 0.46 -0.40 -1.43 -0.00 -1.99 0.26 115.58 112.48 3gas h ASN 3 Ca 0.00 0.02 -0.07 0.00 -0.00 0.00 0.00 56.30 56.25 3gas h ASN 3 Cb 0.00 -0.07 -0.01 0.00 -0.00 0.00 0.00 38.32 38.24 3gas h ASN 3 CO 0.00 0.32 -0.04 0.03 -0.00 0.00 0.00 177.43 177.74 3gas h ARG 4 N 0.59 0.74 -0.47 6.67 3.08 -2.05 -2.11 114.38 120.83 3gas h ARG 4 Ca 0.24 -0.25 0.02 0.00 0.07 0.00 0.00 59.98 60.06 3gas h ARG 4 Cb 0.11 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 3gas h ARG 4 CO -0.15 0.84 0.28 0.82 -1.07 0.00 0.00 179.97 180.69 3gas h ILE 5 N 0.56 1.05 -0.58 2.04 2.04 -1.85 0.24 117.51 121.00 3gas h ILE 5 Ca 0.11 -0.19 0.07 0.00 1.00 0.00 0.00 64.86 65.85 3gas h ILE 5 Cb 0.53 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 3gas h ILE 5 CO 0.03 0.10 0.27 0.40 0.00 0.00 0.00 178.15 178.95 3gas h ILE 6 N 0.56 0.88 -0.03 -0.67 2.04 -0.31 -2.22 117.51 117.76 3gas h ILE 6 Ca 0.19 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 3gas h ILE 6 Cb 0.02 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 36.43 3gas h ILE 6 CO -0.09 0.09 0.01 -0.33 0.00 0.00 0.00 178.15 177.84 3gas h GLU 7 N 0.50 0.05 0.00 2.37 4.39 -0.75 -1.78 114.58 119.36 3gas h GLU 7 Ca 0.28 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.97 3gas h GLU 7 Cb 0.25 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3gas h GLU 7 CO -0.22 0.18 0.00 1.58 -1.16 0.00 0.00 179.01 179.39 3gas n HIS 8 N -4.99 0.00 0.00 4.33 -0.00 0.01 -1.51 115.22 113.06 3gas n HIS 8 Ca -0.07 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.11 3gas n HIS 8 Cb 0.10 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.97 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 0.18 0.00 -0.07 0.26 3.02 -0.67 -1.30 115.26 116.69 3gas n ASN 10 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.48 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 1.65 -0.16 5.41 0.00 -0.57 -4.61 120.51 122.23 3gas n ALA 11 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.34 3gas n ALA 11 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 -2.77 0.00 -2.21 0.00 8.25 -0.42 -4.84 115.22 113.24 3gas n HIS 12 Ca -0.26 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.24 3gas n HIS 12 Cb 1.06 0.00 0.04 0.00 1.12 0.00 0.00 29.99 32.21 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 -0.13 0.00 -0.25 4.41 8.25 -1.26 -4.87 115.22 121.37 3gas n HIS 13 Ca 0.00 -0.50 -0.07 0.00 -0.26 0.00 0.00 57.72 56.89 3gas n HIS 13 Cb 0.04 -0.13 0.05 0.00 1.12 0.00 0.00 29.99 31.06 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 6.04 1.25 -0.11 1.59 2.07 -1.88 -2.53 116.25 122.68 3gas h VAL 14 Ca -0.13 -0.81 -0.12 0.00 0.82 0.00 0.00 66.70 66.45 3gas h VAL 14 Cb 1.63 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 3gas h VAL 14 CO 0.06 0.32 -0.48 -0.33 0.02 0.00 0.00 177.57 177.16 3gas h GLU 15 N 1.01 0.28 -1.66 1.57 4.39 -1.97 -2.19 114.58 116.01 3gas h GLU 15 Ca 0.23 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.78 3gas h GLU 15 Cb 0.24 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 3gas h GLU 15 CO -0.01 0.70 0.00 -0.25 -1.16 0.00 0.00 179.01 178.29 3gas n ASP 16 N -3.97 1.05 0.00 1.42 8.00 -0.95 -1.74 116.55 120.35 3gas n ASP 16 Ca -0.02 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.78 3gas n ASP 16 Cb 0.53 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 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 0.83 0.00 -0.22 -1.24 5.02 -0.83 -0.66 118.16 121.08 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 0.17 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.21 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 1.00 0.72 0.00 -1.62 -1.78 103.07 102.48 3gas h GLY 19 Ca 0.00 -0.74 -0.10 0.00 0.00 0.00 0.00 47.33 46.49 3gas h GLY 19 CO 0.00 0.69 -0.13 1.41 0.00 0.00 0.00 176.54 178.51 3gas h LEU 20 N 0.92 0.82 -1.09 3.11 3.38 -1.18 -0.45 115.31 120.82 3gas h LEU 20 Ca 0.18 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.78 3gas h LEU 20 Cb 0.44 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3gas h LEU 20 CO 0.01 1.01 0.58 -0.07 0.09 0.00 0.00 178.44 180.06 3gas h LEU 21 N 0.62 1.04 -0.02 1.67 3.38 -1.78 -0.23 115.31 120.00 3gas h LEU 21 Ca 0.10 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3gas h LEU 21 Cb 0.67 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3gas h LEU 21 CO 0.05 0.77 -0.12 0.50 0.09 0.00 0.00 178.44 179.72 3gas h LYS 22 N 1.22 0.11 -0.02 1.13 3.64 -1.19 -1.27 116.57 120.19 3gas h LYS 22 Ca 0.33 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3gas h LYS 22 Cb -0.12 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 3gas h LYS 22 CO -0.07 0.79 0.00 -0.22 -2.27 0.00 0.00 179.45 177.68 3gas h LYS 23 N -0.54 0.03 0.00 1.90 3.64 -0.95 -1.84 116.57 118.82 3gas h LYS 23 Ca -0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3gas h LYS 23 Cb 0.82 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 3gas h LYS 23 CO 0.02 0.25 -1.51 1.19 -2.27 0.00 0.00 179.45 177.14 3gas n PHE 24 N -4.96 0.43 0.17 1.91 3.72 -0.11 -2.28 117.46 116.34 3gas n PHE 24 Ca -0.07 0.12 0.02 0.00 -0.05 0.00 0.00 57.45 57.47 3gas n PHE 24 Cb 0.14 -0.69 0.00 0.00 -0.94 0.00 0.00 39.48 37.99 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 1.23 -0.40 2.81 1.37 0.00 -0.71 -4.94 105.19 104.55 3gas n GLY 25 Ca -0.02 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.28 -3.51 -3.20 1.61 1.13 -0.69 -4.93 117.38 107.51 3gas n GLN 26 Ca 0.02 0.87 -0.44 0.00 -1.94 0.00 0.00 57.00 55.51 3gas n GLN 26 Cb 0.09 -5.63 -0.07 0.00 0.11 0.00 0.00 30.24 24.74 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 -3.06 4.95 -0.07 5.09 1.01 -0.56 -4.95 120.40 122.80 3gas s VAL 27 Ca 0.19 -0.54 0.09 0.00 0.00 0.00 0.00 61.98 61.72 3gas s VAL 27 Cb -0.09 -4.25 -0.24 0.00 0.00 0.00 0.00 36.38 31.81 3gas s VAL 27 CO 0.24 -0.73 0.54 1.41 0.00 0.00 0.00 175.10 176.56 3gas n HIS 28 N 5.98 0.97 -3.61 5.22 8.25 -1.26 -3.00 115.22 127.77 3gas n HIS 28 Ca -0.07 0.31 -0.27 0.00 -0.26 0.00 0.00 57.72 57.43 3gas n HIS 28 Cb 0.45 -1.17 -0.10 0.00 1.12 0.00 0.00 29.99 30.30 3gas n HIS 28 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3gas n HIS 29 N -3.12 2.18 -3.48 4.41 8.25 -1.26 -5.01 115.22 117.18 3gas n HIS 29 Ca -0.22 -4.00 -0.38 0.00 -0.26 0.00 0.00 57.72 52.86 3gas n HIS 29 Cb 1.06 -0.41 -0.06 0.00 1.12 0.00 0.00 29.99 31.70 3gas n HIS 29 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gas s ALA 30 N -1.41 3.67 0.41 -1.41 0.00 -1.26 -4.99 121.76 116.77 3gas s ALA 30 Ca 0.31 -0.22 0.07 0.00 0.00 0.00 0.00 51.96 52.13 3gas s ALA 30 Cb 0.04 -2.42 -0.07 0.00 0.00 0.00 0.00 23.12 20.67 3gas s ALA 30 CO -0.13 0.42 0.06 -1.21 0.00 0.00 0.00 175.76 174.90 3gas s GLU 31 N -0.85 2.04 -1.45 0.00 0.41 -1.26 -4.78 118.70 112.81 3gas s GLU 31 Ca 0.24 -2.02 -0.08 0.00 -0.41 0.00 0.00 54.97 52.70 3gas s GLU 31 Cb -0.16 -1.75 0.01 0.00 -1.78 0.00 0.00 34.13 30.45 3gas s GLU 31 CO 0.13 -0.07 0.23 -1.71 -0.49 0.00 0.00 175.26 173.35 3gas n ASN 32 N -1.05 -0.46 -4.66 -0.19 5.15 -1.26 -0.36 115.26 112.43 3gas n ASN 32 Ca -0.04 -1.24 -0.43 0.00 -0.60 0.00 0.00 54.58 52.27 3gas n ASN 32 Cb 0.66 -1.87 -0.02 0.00 -0.53 0.00 0.00 39.78 38.02 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 -4.12 4.64 -0.05 3.44 1.01 -1.26 -4.02 120.40 120.04 3gas s VAL 33 Ca 0.12 1.98 -0.10 0.00 0.00 0.00 0.00 61.98 63.98 3gas s VAL 33 Cb -0.06 -4.28 0.02 0.00 0.00 0.00 0.00 36.38 32.06 3gas s VAL 33 CO 0.97 -0.17 0.24 0.00 0.00 0.00 0.00 175.10 176.15 3gas s ALA 34 N 3.18 -0.59 -0.03 5.51 0.00 -0.66 -5.00 121.76 124.17 3gas s ALA 34 Ca 0.45 0.39 -0.30 0.00 0.00 0.00 0.00 51.96 52.50 3gas s ALA 34 Cb -0.16 -0.15 -0.05 0.00 0.00 0.00 0.00 23.12 22.77 3gas s ALA 34 CO 0.07 -0.18 1.38 0.12 0.00 0.00 0.00 175.76 177.16 3gas s PHE 35 N -0.65 2.81 -0.24 0.00 5.36 -1.26 -0.47 117.98 123.52 3gas s PHE 35 Ca -0.07 0.83 -0.08 0.00 -0.96 0.00 0.00 56.93 56.65 3gas s PHE 35 Cb -0.04 -3.64 -0.17 0.00 -0.34 0.00 0.00 43.02 38.83 3gas s PHE 35 CO 0.02 -2.35 -0.14 1.63 -1.46 0.00 0.00 175.22 172.92 3gas n LYS 36 N 5.67 0.63 -3.72 10.12 4.76 -0.21 -4.85 118.16 130.55 3gas n LYS 36 Ca 0.13 0.26 -0.02 0.00 -2.87 0.00 0.00 58.31 55.81 3gas n LYS 36 Cb 0.44 -1.56 -0.01 0.00 -1.84 0.00 0.00 35.03 32.05 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 -6.99 -0.15 -0.05 4.39 1.04 -1.06 -4.97 113.70 105.92 3gas s SER 37 Ca -0.34 -0.34 -0.09 0.00 0.48 0.00 0.00 55.95 55.66 3gas s SER 37 Cb 0.10 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.65 3gas s SER 37 CO 0.58 -0.75 0.21 0.54 0.98 0.00 0.00 173.24 174.80 3gas s VAL 38 N -3.07 0.04 0.33 5.02 0.11 -1.26 -0.69 120.40 120.87 3gas s VAL 38 Ca 0.13 -0.29 0.03 0.00 -2.93 0.00 0.00 61.98 58.92 3gas s VAL 38 Cb 0.00 -0.40 -0.01 0.00 -1.53 0.00 0.00 36.38 34.44 3gas s VAL 38 CO 0.01 -0.16 0.37 -0.90 -3.33 0.00 0.00 175.10 171.09 3gas n ASP 39 N 2.22 -1.00 0.33 3.54 5.75 -0.16 -5.01 116.55 122.23 3gas n ASP 39 Ca -0.17 -3.02 0.21 0.00 -0.01 0.00 0.00 54.79 51.81 3gas n ASP 39 Cb 0.57 2.04 1.15 0.00 -1.03 0.00 0.00 41.12 43.85 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 1.98 0.00 -0.00 -1.12 4.64 -1.99 -2.85 113.55 114.20 3gas h SER 40 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3gas h SER 40 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3gas h SER 40 CO 0.35 0.00 -0.21 0.00 -0.87 0.00 0.00 176.83 176.09 3gas n GLN 41 N -3.02 2.56 -3.61 4.77 6.02 -1.26 -0.14 117.38 122.71 3gas n GLN 41 Ca -0.03 -0.46 0.00 0.00 -0.01 0.00 0.00 57.00 56.51 3gas n GLN 41 Cb 0.11 -1.01 0.00 0.00 1.02 0.00 0.00 30.24 30.36 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 0.89 -1.75 3.50 1.08 0.00 -1.08 -0.99 105.19 106.84 3gas n GLY 42 Ca 0.03 -1.13 -0.25 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.52 2.29 -0.09 -0.61 -4.36 -0.55 -0.99 121.20 114.36 3gas s ILE 43 Ca 0.00 -2.28 0.02 0.00 -0.26 0.00 0.00 60.65 58.12 3gas s ILE 43 Cb 0.00 -2.48 0.02 0.00 1.25 0.00 0.00 42.46 41.25 3gas s ILE 43 CO 0.00 -0.30 -0.13 -0.69 0.24 0.00 0.00 174.94 174.07 3gas s VAL 44 N -2.60 1.26 -0.15 8.37 1.01 0.13 -1.57 120.40 126.84 3gas s VAL 44 Ca 0.31 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 3gas s VAL 44 Cb -0.01 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 3gas s VAL 44 CO 0.15 0.39 -0.08 -0.63 0.00 0.00 0.00 175.10 174.93 3gas s ILE 45 N 0.99 3.41 0.15 2.22 1.01 -0.27 -1.05 121.20 127.66 3gas s ILE 45 Ca -0.08 -0.53 -0.02 0.00 0.00 0.00 0.00 60.65 60.02 3gas s ILE 45 Cb -0.15 -2.47 -0.05 0.00 0.01 0.00 0.00 42.46 39.80 3gas s ILE 45 CO -0.01 0.50 0.36 -0.83 0.00 0.00 0.00 174.94 174.96 3gas s GLY 46 N 0.50 2.05 0.13 6.18 0.00 0.38 -0.94 107.32 115.61 3gas s GLY 46 Ca -0.06 -0.72 -0.25 0.00 0.00 0.00 0.00 44.72 43.70 3gas s GLY 46 CO 0.04 -0.66 0.77 -2.52 0.00 0.00 0.00 173.10 170.73 3gas s TYR 47 N -1.72 -0.34 0.00 1.90 -0.85 -0.20 -1.65 117.35 114.49 3gas s TYR 47 Ca 0.39 0.08 0.00 0.00 -0.52 0.00 0.00 57.07 57.02 3gas s TYR 47 Cb -0.12 0.60 0.00 0.00 0.38 0.00 0.00 41.96 42.82 3gas s TYR 47 CO 0.27 -0.83 0.00 0.09 -1.52 0.00 0.00 175.55 173.56 3gas n ASN 48 N -0.37 0.00 -3.43 -0.18 4.13 0.52 -1.73 115.26 114.19 3gas n ASN 48 Ca -0.10 0.00 -0.38 0.00 1.68 0.00 0.00 54.58 55.77 3gas n ASN 48 Cb 0.62 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.84 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 2.79 6.78 -2.65 6.41 3.02 -1.26 -4.49 115.26 125.86 3gas n ASN 49 Ca 0.00 -2.63 -0.20 0.00 -0.03 0.00 0.00 54.58 51.72 3gas n ASN 49 Cb 0.00 -1.53 0.03 0.00 -0.61 0.00 0.00 39.78 37.67 3gas n ASN 49 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3gas n ASN 50 N 4.51 -5.61 -4.85 6.41 3.02 -1.24 -5.00 115.26 112.50 3gas n ASN 50 Ca 0.67 -0.24 -0.21 0.00 -0.03 0.00 0.00 54.58 54.77 3gas n ASN 50 Cb 0.27 -4.46 -0.04 0.00 -0.61 0.00 0.00 39.78 34.95 3gas n ASN 50 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3gas s GLN 51 N -5.52 2.83 0.08 3.52 -0.21 -0.70 -4.98 119.66 114.67 3gas s GLN 51 Ca 0.25 -1.18 -0.06 0.00 0.02 0.00 0.00 55.36 54.39 3gas s GLN 51 Cb -0.11 -2.53 -0.01 0.00 1.00 0.00 0.00 33.01 31.36 3gas s GLN 51 CO 0.31 0.23 0.12 0.95 -2.12 0.00 0.00 175.29 174.78 3gas s THR 52 N -2.23 0.17 -0.06 -0.19 -4.23 -1.26 -1.04 115.64 106.80 3gas s THR 52 Ca 0.38 -1.38 0.01 0.00 -1.18 0.00 0.00 61.69 59.52 3gas s THR 52 Cb -0.07 -1.41 0.02 0.00 1.34 0.00 0.00 72.50 72.39 3gas s THR 52 CO 0.26 -0.75 -0.08 -0.22 -0.54 0.00 0.00 174.62 173.29 3gas s LEU 53 N -2.88 1.41 -0.13 4.79 2.96 -0.12 -4.97 118.68 119.74 3gas s LEU 53 Ca 0.06 -0.23 -0.07 0.00 -0.22 0.00 0.00 54.13 53.67 3gas s LEU 53 Cb 0.06 -0.67 -0.04 0.00 0.50 0.00 0.00 46.19 46.04 3gas s LEU 53 CO -0.10 -0.03 0.12 -0.60 -1.32 0.00 0.00 176.35 174.41 3gas s ARG 54 N 0.96 3.56 -0.13 1.98 3.52 -1.26 -1.12 118.95 126.46 3gas s ARG 54 Ca -0.10 -0.18 -0.00 0.00 -0.13 0.00 0.00 55.73 55.32 3gas s ARG 54 Cb -0.15 -3.19 0.03 0.00 -1.56 0.00 0.00 34.95 30.08 3gas s ARG 54 CO 0.00 0.66 -0.09 0.42 -0.81 0.00 0.00 175.30 175.48 3gas s ILE 55 N -0.69 1.17 0.44 4.11 1.01 -0.61 -5.00 121.20 121.62 3gas s ILE 55 Ca 0.13 -0.42 -0.20 0.00 0.00 0.00 0.00 60.65 60.16 3gas s ILE 55 Cb -0.12 -1.19 -0.10 0.00 0.01 0.00 0.00 42.46 41.06 3gas s ILE 55 CO 0.03 0.35 0.94 -1.61 0.00 0.00 0.00 174.94 174.65 3gas s GLU 56 N 1.64 4.16 0.84 2.79 2.02 -1.26 -1.48 118.70 127.40 3gas s GLU 56 Ca 0.04 1.05 -0.12 0.00 0.02 0.00 0.00 54.97 55.97 3gas s GLU 56 Cb -0.13 -2.19 0.09 0.00 0.10 0.00 0.00 34.13 32.00 3gas s GLU 56 CO -0.09 -0.06 1.11 -0.06 0.02 0.00 0.00 175.26 176.19 3gas s PHE 57 N -2.25 2.72 -2.06 1.61 0.08 -0.16 -4.92 117.98 113.00 3gas s PHE 57 Ca 0.61 1.03 0.11 0.00 0.12 0.00 0.00 56.93 58.80 3gas s PHE 57 Cb -0.09 -3.23 0.43 0.00 -0.57 0.00 0.00 43.02 39.56 3gas s PHE 57 CO 0.17 -1.98 1.31 0.27 -0.10 0.00 0.00 175.22 174.89 3gas n ASN 58 N -3.55 1.14 -3.76 1.36 0.23 -1.26 -4.86 115.26 104.57 3gas n ASN 58 Ca 0.07 -1.87 -0.06 0.00 -0.53 0.00 0.00 54.58 52.19 3gas n ASN 58 Cb 0.57 -0.12 -0.02 0.00 -2.08 0.00 0.00 39.78 38.14 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 -1.76 -0.20 -0.06 -2.53 -3.43 -1.26 -4.30 115.29 101.75 3gas s HIS 59 Ca 0.20 -0.15 -0.22 0.00 -0.80 0.00 0.00 55.06 54.09 3gas s HIS 59 Cb 0.10 0.66 -0.04 0.00 -1.43 0.00 0.00 32.58 31.87 3gas s HIS 59 CO 0.15 -0.99 0.66 -2.00 -2.00 0.00 0.00 174.74 170.55 3gas s GLU 60 N -3.59 4.41 -0.57 -0.38 2.12 -1.26 -4.77 118.70 114.65 3gas s GLU 60 Ca 0.10 0.81 -0.23 0.00 0.36 0.00 0.00 54.97 56.01 3gas s GLU 60 Cb -0.03 -3.42 0.05 0.00 0.26 0.00 0.00 34.13 30.98 3gas s GLU 60 CO 0.02 0.14 0.93 0.08 -0.54 0.00 0.00 175.26 175.89 3gas s VAL 61 N 0.56 4.40 0.37 3.70 1.01 0.80 -4.91 120.40 126.32 3gas s VAL 61 Ca 0.35 0.07 0.16 0.00 0.00 0.00 0.00 61.98 62.56 3gas s VAL 61 Cb -0.18 -4.56 0.14 0.00 0.00 0.00 0.00 36.38 31.79 3gas s VAL 61 CO 0.17 -1.18 1.88 0.11 0.00 0.00 0.00 175.10 176.09 3gas h LYS 62 N 9.36 0.00 -5.15 2.72 1.79 -1.94 -3.42 116.57 119.91 3gas h LYS 62 Ca -0.27 0.00 -0.66 0.00 -2.18 0.00 0.00 60.65 57.54 3gas h LYS 62 Cb 1.07 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 31.42 3gas h LYS 62 CO 1.10 0.30 -0.79 0.34 -1.08 0.00 0.00 179.45 179.32 3gas s ASP 63 N -6.77 3.73 0.65 0.86 -1.08 -1.26 -4.98 116.67 107.82 3gas s ASP 63 Ca -0.03 -0.47 0.34 0.00 -0.52 0.00 0.00 52.55 51.88 3gas s ASP 63 Cb 0.14 -1.59 1.89 0.00 -1.46 0.00 0.00 42.92 41.91 3gas s ASP 63 CO 0.69 0.06 2.11 -0.65 0.52 0.00 0.00 175.17 177.91 3gas h PRO 64 N 7.48 0.00 0.00 4.34 0.11 -2.02 0.25 132.00 142.16 3gas h PRO 64 Ca -0.35 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 3gas h PRO 64 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3gas h PRO 64 CO 0.58 0.00 -0.08 1.57 -0.21 0.00 0.00 178.00 179.86 3gas h LYS 65 N 0.00 0.00 -0.07 1.05 2.10 -1.97 -2.62 116.57 115.06 3gas h LYS 65 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 3gas h LYS 65 Cb 0.43 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 3gas h LYS 65 CO -0.00 0.08 0.00 -0.25 -2.00 0.00 0.00 179.45 177.28 3gas n ASP 66 N -3.42 2.66 -0.27 7.07 8.00 0.88 -4.43 116.55 127.02 3gas n ASP 66 Ca -0.01 -1.87 0.02 0.00 0.71 0.00 0.00 54.79 53.63 3gas n ASP 66 Cb 0.24 -0.03 0.15 0.00 -0.02 0.00 0.00 41.12 41.46 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 4.05 0.78 -0.14 1.24 0.05 -1.53 -1.82 116.97 119.60 3gas h TYR 67 Ca 0.00 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.81 3gas h TYR 67 Cb 0.86 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 38.36 3gas h TYR 67 CO 0.03 0.31 0.08 -0.22 -1.05 0.00 0.00 178.16 177.32 3gas h LYS 68 N 0.73 0.20 -0.50 4.88 3.64 -1.80 -1.35 116.57 122.38 3gas h LYS 68 Ca 0.38 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.65 3gas h LYS 68 Cb 0.35 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 3gas h LYS 68 CO -0.25 0.19 -0.05 -0.91 -2.27 0.00 0.00 179.45 176.16 3gas h ASN 69 N 0.15 0.84 -0.67 4.20 2.35 -1.78 -1.05 115.58 119.62 3gas h ASN 69 Ca 0.05 -0.23 -0.07 0.00 -0.55 0.00 0.00 56.30 55.50 3gas h ASN 69 Cb 0.04 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 3gas h ASN 69 CO -0.01 0.93 0.17 0.00 -1.65 0.00 0.00 177.43 176.87 3gas h ALA 70 N 1.15 1.00 -0.49 -0.83 0.00 -1.21 0.11 119.26 118.99 3gas h ALA 70 Ca 0.14 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3gas h ALA 70 Cb 0.54 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3gas h ALA 70 CO 0.03 0.65 -0.01 1.15 0.00 0.00 0.00 179.25 181.07 3gas h THR 71 N 1.03 1.26 -0.27 0.00 2.02 -0.95 -1.34 112.91 114.67 3gas h THR 71 Ca 0.22 -1.09 -0.03 0.00 0.77 0.00 0.00 66.41 66.28 3gas h THR 71 Cb 0.36 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 3gas h THR 71 CO 0.00 0.38 0.05 0.40 0.37 0.00 0.00 175.52 176.73 3gas h ILE 72 N 0.74 1.22 -0.75 3.11 2.04 -0.79 -1.19 117.51 121.89 3gas h ILE 72 Ca 0.14 -0.75 0.08 0.00 1.00 0.00 0.00 64.86 65.34 3gas h ILE 72 Cb 0.53 1.20 -0.07 0.00 -0.74 0.00 0.00 36.82 37.74 3gas h ILE 72 CO 0.03 0.24 0.42 -0.08 0.00 0.00 0.00 178.15 178.75 3gas h GLU 73 N 0.26 0.70 -0.32 2.37 4.81 -0.62 0.10 114.58 121.88 3gas h GLU 73 Ca 0.08 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 3gas h GLU 73 Cb 0.31 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3gas h GLU 73 CO 0.00 0.46 0.12 1.25 -0.73 0.00 0.00 179.01 180.12 3gas h LEU 74 N 0.72 0.45 -0.75 1.64 5.85 -0.97 -1.06 115.31 121.18 3gas h LEU 74 Ca 0.36 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3gas h LEU 74 Cb 0.30 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 3gas h LEU 74 CO -0.23 0.51 0.48 0.00 -0.34 0.00 0.00 178.44 178.85 3gas h GLN 76 N 1.02 0.00 0.00 0.00 4.20 -0.60 -3.17 115.11 116.56 3gas h GLN 76 Ca 0.27 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.96 3gas h GLN 76 Cb -0.08 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 3gas h GLN 76 CO -0.06 0.00 -0.09 0.66 -0.67 0.00 0.00 178.83 178.68 3gas h SER 77 N 0.00 0.00 -0.21 1.46 4.64 -0.70 -2.13 113.55 116.60 3gas h SER 77 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gas h SER 77 Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 3gas h SER 77 CO 0.00 0.09 0.13 0.58 -0.87 0.00 0.00 176.83 176.76 3gas h VAL 78 N 0.00 1.07 0.06 0.95 2.07 -1.68 -2.05 116.25 116.66 3gas h VAL 78 Ca -0.00 -0.15 -0.27 0.00 0.82 0.00 0.00 66.70 67.10 3gas h VAL 78 Cb 0.27 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3gas h VAL 78 CO 0.01 0.07 -1.34 -0.33 0.02 0.00 0.00 177.57 176.00 3gas h GLU 79 N 0.27 0.13 0.00 1.57 4.39 -1.77 -3.28 114.58 115.89 3gas h GLU 79 Ca 0.08 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 3gas h GLU 79 Cb -0.01 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 3gas h GLU 79 CO -0.02 0.99 -0.04 0.87 -1.16 0.00 0.00 179.01 179.66 3gas h LYS 80 N 0.03 0.00 -0.01 2.33 1.57 -1.31 -0.24 116.57 118.94 3gas h LYS 80 Ca -0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3gas h LYS 80 Cb 1.93 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.24 3gas h LYS 80 CO 0.14 0.04 0.01 1.15 -0.57 0.00 0.00 179.45 180.22 3gas h THR 81 N 0.00 0.91 -0.08 -0.16 2.02 -1.43 -1.71 112.91 112.46 3gas h THR 81 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3gas h THR 81 Cb 0.12 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 3gas h THR 81 CO 0.00 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.30 3gas n HIS 82 N -4.41 0.08 -2.24 3.16 8.25 -0.10 -4.65 115.22 115.31 3gas n HIS 82 Ca -0.03 -0.04 -0.40 0.00 -0.26 0.00 0.00 57.72 57.00 3gas n HIS 82 Cb 0.10 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.19 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 0.59 4.21 0.18 0.41 -0.08 -0.64 -4.74 116.55 116.46 3gas n ASP 83 Ca 0.17 -2.84 0.06 0.00 -1.51 0.00 0.00 54.79 50.67 3gas n ASP 83 Cb 0.43 -1.69 0.55 0.00 2.34 0.00 0.00 41.12 42.75 3gas n ASP 83 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 3gas h LEU 84 N 13.33 0.14 -0.46 -2.67 3.38 -1.86 -1.04 115.31 126.13 3gas h LEU 84 Ca 0.42 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.33 3gas h LEU 84 Cb 0.83 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 3gas h LEU 84 CO 1.51 0.14 0.10 0.50 0.09 0.00 0.00 178.44 180.78 3gas h LYS 85 N 0.17 0.75 -0.69 1.13 3.11 -1.99 -0.29 116.57 118.76 3gas h LYS 85 Ca 0.04 -0.19 -0.07 0.00 -2.81 0.00 0.00 60.65 57.62 3gas h LYS 85 Cb 0.05 -0.09 -0.03 0.00 -1.00 0.00 0.00 32.23 31.16 3gas h LYS 85 CO -0.00 0.75 0.14 0.78 -2.81 0.00 0.00 179.45 178.30 3gas h GLY 86 N 0.62 1.21 1.03 5.01 0.00 -1.64 -1.89 103.07 107.40 3gas h GLY 86 Ca 0.14 -0.78 -0.07 0.00 0.00 0.00 0.00 47.33 46.63 3gas h GLY 86 CO 0.00 0.73 0.12 -2.08 0.00 0.00 0.00 176.54 175.31 3gas h VAL 87 N 1.05 1.26 -0.76 4.60 2.07 -1.02 -0.44 116.25 123.00 3gas h VAL 87 Ca 0.21 -0.96 0.04 0.00 0.82 0.00 0.00 66.70 66.81 3gas h VAL 87 Cb 0.41 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 3gas h VAL 87 CO 0.01 0.36 0.48 -0.08 0.02 0.00 0.00 177.57 178.35 3gas h GLU 88 N 0.89 0.90 -0.26 1.57 4.81 -0.77 0.75 114.58 122.46 3gas h GLU 88 Ca 0.19 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.27 3gas h GLU 88 Cb 0.39 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3gas h GLU 88 CO 0.01 0.59 -0.24 0.93 -0.73 0.00 0.00 179.01 179.57 3gas h GLU 89 N 0.92 0.48 -0.46 1.92 5.08 -0.91 -2.26 114.58 119.35 3gas h GLU 89 Ca 0.31 -0.18 -0.13 0.00 -1.00 0.00 0.00 59.36 58.36 3gas h GLU 89 Cb 0.04 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3gas h GLU 89 CO -0.12 0.69 -0.22 0.93 -1.00 0.00 0.00 179.01 179.29 3gas h GLU 90 N 0.43 0.96 -0.46 2.33 5.08 -0.04 -1.82 114.58 121.07 3gas h GLU 90 Ca 0.07 -0.42 -0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3gas h GLU 90 Cb 0.65 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 3gas h GLU 90 CO 0.05 1.09 0.28 0.28 -1.00 0.00 0.00 179.01 179.70 3gas h VAL 91 N 0.81 1.14 -0.31 3.13 2.07 -0.66 0.44 116.25 122.87 3gas h VAL 91 Ca 0.10 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 3gas h VAL 91 Cb 0.80 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 3gas h VAL 91 CO 0.07 0.15 0.16 0.50 0.02 0.00 0.00 177.57 178.46 3gas h LYS 92 N 0.61 0.44 -0.07 1.57 3.64 -1.31 -2.38 116.57 119.07 3gas h LYS 92 Ca 0.16 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.38 3gas h LYS 92 Cb -0.00 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3gas h LYS 92 CO -0.03 0.40 -0.43 0.00 -2.27 0.00 0.00 179.45 177.12 3gas h ALA 93 N 1.02 1.17 0.27 5.00 0.00 -1.08 -2.72 119.26 122.91 3gas h ALA 93 Ca 0.11 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3gas h ALA 93 Cb 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3gas h ALA 93 CO -0.02 0.58 -0.13 0.35 0.00 0.00 0.00 179.25 180.03 3gas h PHE 94 N 0.12 -0.33 -0.52 0.00 3.57 0.16 -2.63 116.94 117.31 3gas h PHE 94 Ca 0.01 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.55 3gas h PHE 94 Cb 0.81 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.63 3gas h PHE 94 CO 0.01 -0.13 0.35 0.87 -2.23 0.00 0.00 178.31 177.18 3gas h LYS 95 N -0.47 0.50 0.00 1.11 1.57 -1.38 -1.30 116.57 116.59 3gas h LYS 95 Ca -0.04 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3gas h LYS 95 Cb 0.36 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3gas h LYS 95 CO 0.06 0.33 0.00 0.39 -0.57 0.00 0.00 179.45 179.66 3gas n GLU 96 N -4.47 0.21 -0.10 3.15 1.02 -1.03 -3.00 120.64 116.43 3gas n GLU 96 Ca 0.07 0.39 0.09 0.00 -0.02 0.00 0.00 57.16 57.69 3gas n GLU 96 Cb 0.21 -1.88 0.31 0.00 -0.02 0.00 0.00 31.44 30.06 3gas n GLU 96 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gas n GLY 97 N 0.22 0.23 3.40 0.62 0.00 -0.49 -4.89 105.19 104.28 3gas n GLY 97 Ca 0.03 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.74 2.21 -0.03 1.61 0.40 -1.16 -5.00 117.98 114.27 3gas s PHE 98 Ca 0.28 -0.38 0.04 0.00 -0.60 0.00 0.00 56.93 56.28 3gas s PHE 98 Cb 0.15 -1.10 0.07 0.00 0.51 0.00 0.00 43.02 42.64 3gas s PHE 98 CO 0.22 0.46 1.03 -0.25 0.70 0.00 0.00 175.22 177.38 3gas n ASP 99 N 0.31 2.04 -3.51 1.36 8.00 -1.26 -4.94 116.55 118.55 3gas n ASP 99 Ca -0.13 -2.23 -0.11 0.00 0.71 0.00 0.00 54.79 53.03 3gas n ASP 99 Cb 0.56 -0.10 -0.02 0.00 -0.02 0.00 0.00 41.12 41.54 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 -1.41 -0.49 0.10 -2.24 1.04 -1.26 -0.65 113.70 108.79 3gas s SER 100 Ca 0.07 -0.11 -0.03 0.00 0.48 0.00 0.00 55.95 56.37 3gas s SER 100 Cb 0.06 0.60 -0.03 0.00 0.10 0.00 0.00 66.02 66.75 3gas s SER 100 CO 0.01 -0.99 0.07 0.68 0.98 0.00 0.00 173.24 173.98 3gas s VAL 101 N -3.70 0.15 0.18 5.02 -7.23 -0.34 -4.79 120.40 109.69 3gas s VAL 101 Ca 0.03 -1.73 -0.00 0.00 -1.81 0.00 0.00 61.98 58.47 3gas s VAL 101 Cb -0.02 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.13 3gas s VAL 101 CO -0.09 -0.66 0.36 0.00 -0.31 0.00 0.00 175.10 174.40 3gas s LEU 103 N -3.20 2.32 -0.10 0.00 1.43 0.77 -4.47 118.68 115.43 3gas s LEU 103 Ca 0.38 -0.66 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 3gas s LEU 103 Cb -0.11 -0.17 0.00 0.00 0.03 0.00 0.00 46.19 45.94 3gas s LEU 103 CO 0.28 -0.25 -0.21 0.00 0.23 0.00 0.00 176.35 176.40 3gas s ALA 104 N -1.89 1.95 0.19 4.21 0.00 -0.58 -1.36 121.76 124.28 3gas s ALA 104 Ca -0.04 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.08 3gas s ALA 104 Cb -0.06 -0.78 -0.05 0.00 0.00 0.00 0.00 23.12 22.23 3gas s ALA 104 CO -0.01 0.19 0.04 0.95 0.00 0.00 0.00 175.76 176.94 3gas s THR 105 N 0.51 0.50 -0.27 0.00 -4.23 -0.60 -2.18 115.64 109.37 3gas s THR 105 Ca -0.16 -1.97 -0.02 0.00 -1.18 0.00 0.00 61.69 58.36 3gas s THR 105 Cb -0.17 -2.26 0.03 0.00 1.34 0.00 0.00 72.50 71.44 3gas s THR 105 CO 0.06 -0.32 -0.03 -0.22 -0.54 0.00 0.00 174.62 173.57 3gas s LEU 106 N -3.18 3.52 0.54 4.79 2.96 -1.26 -0.82 118.68 125.23 3gas s LEU 106 Ca 0.28 -1.03 -0.17 0.00 -0.22 0.00 0.00 54.13 53.00 3gas s LEU 106 Cb 0.07 -1.69 -0.06 0.00 0.50 0.00 0.00 46.19 45.00 3gas s LEU 106 CO 0.06 -0.19 1.02 -2.28 -1.32 0.00 0.00 176.35 173.65 3gas s HIS 107 N 1.30 3.21 0.64 5.38 5.65 -0.53 -4.15 115.29 126.79 3gas s HIS 107 Ca -0.02 1.50 0.37 0.00 0.25 0.00 0.00 55.06 57.16 3gas s HIS 107 Cb -0.18 -2.91 2.08 0.00 -1.18 0.00 0.00 32.58 30.39 3gas s HIS 107 CO -0.03 -0.72 2.24 -1.35 -0.65 0.00 0.00 174.74 174.24 3gas h PRO 108 N 0.78 0.00 0.00 2.88 0.11 -1.88 0.70 132.00 134.58 3gas h PRO 108 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3gas h PRO 108 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3gas h PRO 108 CO 0.59 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.65 3gas n ASN 109 N -3.33 0.00 0.00 -2.05 0.23 -1.26 -4.86 115.26 103.99 3gas n ASN 109 Ca -0.02 -1.25 0.00 0.00 -0.53 0.00 0.00 54.58 52.77 3gas n ASN 109 Cb 0.16 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.86 3gas n ASN 109 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gas n GLY 110 N 0.56 1.35 3.89 4.83 0.00 0.24 -5.04 105.19 111.01 3gas n GLY 110 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.13 3.58 0.60 1.61 5.04 -1.25 -4.86 115.29 116.88 3gas s HIS 111 Ca 0.00 0.54 -0.16 0.00 -1.54 0.00 0.00 55.06 53.90 3gas s HIS 111 Cb 0.00 -1.96 -0.03 0.00 0.04 0.00 0.00 32.58 30.63 3gas s HIS 111 CO 0.00 0.64 1.07 0.14 -2.34 0.00 0.00 174.74 174.25 3gas s VAL 112 N -1.26 3.65 -0.07 0.89 -7.23 -1.26 -1.46 120.40 113.66 3gas s VAL 112 Ca 0.25 0.80 0.03 0.00 -1.81 0.00 0.00 61.98 61.25 3gas s VAL 112 Cb -0.13 -3.32 0.01 0.00 0.56 0.00 0.00 36.38 33.50 3gas s VAL 112 CO 0.15 -0.44 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.66 3gas s VAL 113 N -2.37 1.30 -0.24 1.32 1.01 -0.00 -4.87 120.40 116.55 3gas s VAL 113 Ca 0.65 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 62.01 3gas s VAL 113 Cb -0.17 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 35.04 3gas s VAL 113 CO 0.37 0.39 -0.02 0.00 0.00 0.00 0.00 175.10 175.83 3gas n SER 115 N 4.79 -0.24 -3.97 0.00 3.41 -0.46 -4.99 113.62 112.16 3gas n SER 115 Ca -0.17 -1.39 -0.09 0.00 -0.26 0.00 0.00 58.87 56.96 3gas n SER 115 Cb 0.50 0.46 -0.10 0.00 -0.26 0.00 0.00 64.21 64.81 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 -4.05 0.27 0.04 7.33 -0.85 -1.26 -0.16 117.35 118.67 3gas s TYR 116 Ca 0.06 -0.61 -0.09 0.00 -0.52 0.00 0.00 57.07 55.91 3gas s TYR 116 Cb -0.00 -0.19 0.00 0.00 0.38 0.00 0.00 41.96 42.15 3gas s TYR 116 CO 0.04 -0.34 0.19 0.00 -1.52 0.00 0.00 175.55 173.92 3gas s ALA 117 N -2.66 -0.33 0.45 9.51 0.00 -0.11 -4.94 121.76 123.67 3gas s ALA 117 Ca -0.05 -0.33 -0.25 0.00 0.00 0.00 0.00 51.96 51.33 3gas s ALA 117 Cb -0.01 0.30 -0.08 0.00 0.00 0.00 0.00 23.12 23.33 3gas s ALA 117 CO -0.05 -0.37 1.38 -2.14 0.00 0.00 0.00 175.76 174.57 3gas s PRO 118 N -2.70 3.72 0.33 0.00 0.02 -1.26 -1.20 135.00 133.91 3gas s PRO 118 Ca -0.04 2.31 0.09 0.00 0.02 0.00 0.00 61.00 63.37 3gas s PRO 118 Cb -0.00 -2.65 -0.05 0.00 0.02 0.00 0.00 34.50 31.82 3gas s PRO 118 CO -0.05 -0.75 0.08 -1.17 -0.33 0.00 0.00 177.00 174.79 3gas s LEU 119 N -2.71 3.17 0.00 -5.54 2.96 0.17 -2.48 118.68 114.25 3gas s LEU 119 Ca 0.61 -0.82 0.00 0.00 -0.22 0.00 0.00 54.13 53.70 3gas s LEU 119 Cb -0.41 -1.62 0.00 0.00 0.50 0.00 0.00 46.19 44.65 3gas s LEU 119 CO 0.53 -0.24 0.00 -1.54 -1.32 0.00 0.00 176.35 173.78 3gas n SER 121 N -1.06 0.00 -3.52 3.68 3.41 -1.26 -4.57 113.62 110.31 3gas n SER 121 Ca -0.04 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.36 3gas n SER 121 Cb 0.61 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.42 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 1.95 1.56 4.04 2.15 -0.05 -4.61 116.67 121.72 3gas s ASP 122 Ca 0.00 -0.53 0.00 0.00 0.43 0.00 0.00 52.55 52.45 3gas s ASP 122 Cb 0.00 0.14 0.00 0.00 -0.30 0.00 0.00 42.92 42.76 3gas s ASP 122 CO 0.00 -0.36 0.00 0.61 -0.17 0.00 0.00 175.17 175.25 3gas n GLY 123 N 5.30 2.65 0.73 2.66 0.00 -1.26 -1.76 105.19 113.51 3gas n GLY 123 Ca -0.06 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 45.82 3gas n GLY 123 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gas n LYS 124 N 13.11 1.99 -3.31 1.61 5.02 -1.26 -4.88 118.16 130.43 3gas n LYS 124 Ca 0.00 -1.45 -0.39 0.00 -2.02 0.00 0.00 58.31 54.45 3gas n LYS 124 Cb 0.00 -1.46 -0.07 0.00 -0.02 0.00 0.00 35.03 33.48 3gas n LYS 124 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 3gas s GLN 125 N -1.89 4.17 0.15 1.97 2.00 -0.72 -5.07 119.66 120.27 3gas s GLN 125 Ca 0.34 0.31 0.04 0.00 -2.00 0.00 0.00 55.36 54.05 3gas s GLN 125 Cb 0.20 -3.56 -0.04 0.00 0.80 0.00 0.00 33.01 30.42 3gas s GLN 125 CO 0.31 -0.11 0.16 0.71 -0.50 0.00 0.00 175.29 175.86 3gas s TYR 126 N 1.52 3.23 0.17 1.67 1.51 -1.26 -0.87 117.35 123.32 3gas s TYR 126 Ca 0.22 0.03 -0.09 0.00 -1.01 0.00 0.00 57.07 56.21 3gas s TYR 126 Cb -0.15 -1.56 -0.01 0.00 -0.11 0.00 0.00 41.96 40.13 3gas s TYR 126 CO 0.09 0.52 0.29 0.71 -1.11 0.00 0.00 175.55 176.05 3gas s TYR 127 N -1.70 0.40 0.19 2.71 2.02 -1.26 -0.68 117.35 119.03 3gas s TYR 127 Ca 0.32 -0.76 0.09 0.00 -0.37 0.00 0.00 57.07 56.35 3gas s TYR 127 Cb -0.11 -0.05 -0.04 0.00 -0.40 0.00 0.00 41.96 41.36 3gas s TYR 127 CO 0.24 -0.72 -0.18 0.96 -1.57 0.00 0.00 175.55 174.27 3gas s ILE 128 N -3.97 1.97 -0.22 2.71 -4.36 0.08 -4.38 121.20 113.02 3gas s ILE 128 Ca 0.17 -2.06 0.01 0.00 -0.26 0.00 0.00 60.65 58.52 3gas s ILE 128 Cb 0.03 -1.98 0.05 0.00 1.25 0.00 0.00 42.46 41.81 3gas s ILE 128 CO 0.00 -0.36 -0.10 -0.47 0.24 0.00 0.00 174.94 174.26 3gas s TYR 129 N -2.25 2.64 0.12 1.37 5.04 -1.04 -0.55 117.35 122.68 3gas s TYR 129 Ca 0.20 -1.81 0.03 0.00 -2.44 0.00 0.00 57.07 53.04 3gas s TYR 129 Cb -0.05 -1.71 -0.04 0.00 0.35 0.00 0.00 41.96 40.51 3gas s TYR 129 CO 0.08 -0.79 -0.08 0.14 -1.34 0.00 0.00 175.55 173.56 3gas s VAL 130 N 1.32 0.92 -0.02 3.14 -7.23 -0.49 -4.20 120.40 113.83 3gas s VAL 130 Ca -0.04 -1.95 -0.01 0.00 -1.81 0.00 0.00 61.98 58.17 3gas s VAL 130 Cb -0.18 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 35.02 3gas s VAL 130 CO -0.07 -0.78 0.09 -0.55 -0.31 0.00 0.00 175.10 173.48 3gas s SER 131 N -3.02 5.78 0.53 4.85 0.15 -1.26 0.24 113.70 120.97 3gas s SER 131 Ca 0.13 0.19 0.35 0.00 0.70 0.00 0.00 55.95 57.32 3gas s SER 131 Cb 0.03 -1.70 1.77 0.00 -1.71 0.00 0.00 66.02 64.42 3gas s SER 131 CO -0.02 0.29 2.07 -0.33 1.20 0.00 0.00 173.24 176.44 3gas h GLU 132 N 4.18 0.00 0.00 5.44 5.08 -1.50 -1.23 114.58 126.55 3gas h GLU 132 Ca -0.50 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.82 3gas h GLU 132 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 3gas h GLU 132 CO 0.62 0.00 -0.23 0.28 -1.00 0.00 0.00 179.01 178.68 3gas h VAL 133 N 0.00 0.54 -3.75 3.13 2.07 -1.94 -3.45 116.25 112.84 3gas h VAL 133 Ca 0.00 -1.19 -0.49 0.00 0.82 0.00 0.00 66.70 65.85 3gas h VAL 133 Cb 0.17 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 3gas h VAL 133 CO 0.00 0.23 0.20 0.00 0.02 0.00 0.00 177.57 178.01 3gas s ALA 134 N -3.58 3.29 0.53 1.67 0.00 -0.46 -4.98 121.76 118.23 3gas s ALA 134 Ca 0.01 0.25 0.20 0.00 0.00 0.00 0.00 51.96 52.43 3gas s ALA 134 Cb 0.10 -2.94 1.43 0.00 0.00 0.00 0.00 23.12 21.70 3gas s ALA 134 CO 0.64 0.26 2.17 0.93 0.00 0.00 0.00 175.76 179.77 3gas h GLU 135 N 2.85 0.00 0.00 0.00 5.08 -1.87 -1.55 114.58 119.09 3gas h GLU 135 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3gas h GLU 135 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3gas h GLU 135 CO 0.65 0.02 0.00 -2.39 -1.00 0.00 0.00 179.01 176.28 3gas n HIS 136 N -4.28 0.89 -0.06 4.33 1.44 -1.26 -3.67 115.22 112.61 3gas n HIS 136 Ca -0.03 0.30 -0.11 0.00 -2.01 0.00 0.00 57.72 55.88 3gas n HIS 136 Cb 0.10 -0.99 -0.04 0.00 0.12 0.00 0.00 29.99 29.18 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 0.31 -0.97 -1.40 3.57 -1.50 -1.75 116.94 115.20 3gas h PHE 137 Ca 0.00 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.60 3gas h PHE 137 Cb 0.56 -0.09 -0.08 0.00 2.79 0.00 0.00 35.95 39.12 3gas h PHE 137 CO 0.00 0.34 0.62 0.00 -2.23 0.00 0.00 178.31 177.04 3gas h ALA 138 N 0.94 1.58 -0.19 2.41 0.00 -1.74 -0.03 119.26 122.23 3gas h ALA 138 Ca 0.07 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.80 3gas h ALA 138 Cb 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3gas h ALA 138 CO -0.01 0.19 -0.65 0.78 0.00 0.00 0.00 179.25 179.56 3gas h GLY 139 N 0.95 0.77 1.92 0.00 0.00 -1.66 -0.58 103.07 104.46 3gas h GLY 139 Ca 0.48 -0.99 -0.08 0.00 0.00 0.00 0.00 47.33 46.74 3gas h GLY 139 CO -0.24 0.88 -0.32 1.41 0.00 0.00 0.00 176.54 178.27 3gas h LEU 140 N 0.51 0.10 0.00 3.11 3.38 -0.36 0.95 115.31 123.00 3gas h LEU 140 Ca -0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3gas h LEU 140 Cb 1.25 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 3gas h LEU 140 CO 0.13 0.42 -0.05 0.50 0.09 0.00 0.00 178.44 179.53 3gas h LYS 141 N 0.09 0.00 0.02 1.13 3.64 -0.96 -3.23 116.57 117.25 3gas h LYS 141 Ca 0.01 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.16 3gas h LYS 141 Cb 0.62 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 3gas h LYS 141 CO 0.05 0.98 -1.16 -0.91 -2.27 0.00 0.00 179.45 176.13 3gas h ASN 142 N -1.00 0.05 -2.09 4.20 4.21 -1.14 -3.38 115.58 116.43 3gas h ASN 142 Ca -0.01 -0.06 -0.54 0.00 1.21 0.00 0.00 56.30 56.90 3gas h ASN 142 Cb 0.99 -0.02 -0.41 0.00 -1.12 0.00 0.00 38.32 37.76 3gas h ASN 142 CO -0.01 1.05 -0.88 0.59 -1.29 0.00 0.00 177.43 176.89 3gas n ASN 143 N -3.32 2.96 0.29 5.81 3.02 0.33 -4.95 115.26 119.40 3gas n ASN 143 Ca -0.04 -3.39 0.19 0.00 -0.03 0.00 0.00 54.58 51.30 3gas n ASN 143 Cb 0.97 -0.58 0.98 0.00 -0.61 0.00 0.00 39.78 40.54 3gas n ASN 143 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3gas h PRO 144 N 2.97 0.00 -0.40 3.52 0.13 -1.60 -1.98 132.00 134.64 3gas h PRO 144 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3gas h PRO 144 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 3gas h PRO 144 CO 0.68 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.17 3gas n HIS 145 N -3.37 0.86 -3.58 1.56 8.25 -1.26 -0.68 115.22 117.00 3gas n HIS 145 Ca -0.01 -0.64 -0.27 0.00 -0.26 0.00 0.00 57.72 56.53 3gas n HIS 145 Cb 0.22 -0.17 -0.10 0.00 1.12 0.00 0.00 29.99 31.07 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 0.36 2.90 -3.89 0.41 2.85 -0.74 -4.82 115.26 112.33 3gas n ASN 146 Ca 0.18 -3.22 -0.11 0.00 -0.11 0.00 0.00 54.58 51.32 3gas n ASN 146 Cb 0.69 -0.69 -0.12 0.00 1.24 0.00 0.00 39.78 40.89 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 -1.82 0.04 -0.05 3.44 1.01 -1.24 -4.04 120.40 117.74 3gas s VAL 147 Ca 0.33 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.97 3gas s VAL 147 Cb 0.07 -0.21 0.01 0.00 0.00 0.00 0.00 36.38 36.25 3gas s VAL 147 CO -0.09 -0.20 -0.13 -0.70 0.00 0.00 0.00 175.10 173.98 3gas s GLU 148 N -0.63 1.56 0.39 2.72 2.12 -0.93 -0.45 118.70 123.49 3gas s GLU 148 Ca -0.07 -0.44 0.04 0.00 0.36 0.00 0.00 54.97 54.86 3gas s GLU 148 Cb -0.04 -1.33 0.04 0.00 0.26 0.00 0.00 34.13 33.05 3gas s GLU 148 CO 0.00 0.10 0.33 0.28 -0.54 0.00 0.00 175.26 175.43 3gas n VAL 149 N 3.54 0.00 -3.48 3.70 0.31 -0.45 -1.52 118.33 120.43 3gas n VAL 149 Ca -0.21 -1.51 -0.02 0.00 -0.01 0.00 0.00 64.34 62.60 3gas n VAL 149 Cb 0.52 -0.25 -0.04 0.00 -0.91 0.00 0.00 33.84 33.16 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 -1.85 -1.28 -0.11 3.52 0.08 0.44 -0.95 117.98 117.83 3gas s PHE 151 Ca 0.25 1.88 0.02 0.00 0.12 0.00 0.00 56.93 59.20 3gas s PHE 151 Cb -0.02 0.58 0.01 0.00 -0.57 0.00 0.00 43.02 43.02 3gas s PHE 151 CO 0.16 -0.70 -0.18 -1.17 -0.10 0.00 0.00 175.22 173.23 3gas s LEU 152 N 2.81 1.85 0.40 -0.37 2.96 -1.26 -0.90 118.68 124.16 3gas s LEU 152 Ca 0.04 -0.47 -0.27 0.00 -0.22 0.00 0.00 54.13 53.22 3gas s LEU 152 Cb -0.13 -1.17 -0.10 0.00 0.50 0.00 0.00 46.19 45.28 3gas s LEU 152 CO -0.18 0.06 1.43 -0.70 -1.32 0.00 0.00 176.35 175.64 3gas s GLU 153 N 0.79 3.99 0.37 1.98 2.12 -0.12 -4.93 118.70 122.90 3gas s GLU 153 Ca -0.10 2.45 -0.28 0.00 0.36 0.00 0.00 54.97 57.40 3gas s GLU 153 Cb -0.16 -2.86 -0.11 0.00 0.26 0.00 0.00 34.13 31.25 3gas s GLU 153 CO 0.01 -0.58 1.43 -0.25 -0.54 0.00 0.00 175.26 175.33 3gas n ASP 154 N 0.27 3.47 -0.29 -1.70 8.00 -1.26 -4.77 116.55 120.27 3gas n ASP 154 Ca 0.02 1.22 -0.00 0.00 0.71 0.00 0.00 54.79 56.74 3gas n ASP 154 Cb 0.41 -1.58 0.19 0.00 -0.02 0.00 0.00 41.12 40.12 3gas n ASP 154 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3gas h GLU 155 N 2.82 1.13 0.00 -1.24 4.81 -1.96 -0.53 114.58 119.61 3gas h GLU 155 Ca -0.49 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 3gas h GLU 155 Cb 1.26 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.38 3gas h GLU 155 CO 0.63 0.75 0.00 -1.13 -0.73 0.00 0.00 179.01 178.53 3gas n SER 156 N -4.41 0.48 -0.01 1.04 3.41 -1.26 -2.73 113.62 110.15 3gas n SER 156 Ca 0.10 0.61 0.09 0.00 -0.26 0.00 0.00 58.87 59.41 3gas n SER 156 Cb 0.03 -0.72 -0.13 0.00 -0.26 0.00 0.00 64.21 63.14 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 -2.02 0.75 -1.56 4.33 5.02 -0.33 -5.03 118.16 119.32 3gas n LYS 157 Ca 0.03 -0.12 -0.32 0.00 -2.02 0.00 0.00 58.31 55.88 3gas n LYS 157 Cb 0.23 -1.39 0.06 0.00 -0.02 0.00 0.00 35.03 33.92 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 -3.06 2.46 0.29 7.82 0.00 -0.47 -4.97 121.76 123.83 3gas s ALA 158 Ca -0.03 0.33 -0.03 0.00 0.00 0.00 0.00 51.96 52.23 3gas s ALA 158 Cb 0.12 -3.26 0.40 0.00 0.00 0.00 0.00 23.12 20.38 3gas s ALA 158 CO 0.72 -1.40 1.96 0.87 0.00 0.00 0.00 175.76 177.91 3gas h LYS 159 N -0.53 1.14 -2.56 0.00 1.79 -1.86 -3.46 116.57 111.09 3gas h LYS 159 Ca -0.45 -0.07 0.13 0.00 -2.18 0.00 0.00 60.65 58.08 3gas h LYS 159 Cb 1.23 -0.26 -0.05 0.00 -1.58 0.00 0.00 32.23 31.58 3gas h LYS 159 CO 0.54 0.76 0.48 -1.54 -1.08 0.00 0.00 179.45 178.60 3gas s SER 160 N -6.26 -0.08 0.48 0.86 1.04 -1.25 -4.63 113.70 103.86 3gas s SER 160 Ca -0.12 -0.65 0.25 0.00 0.48 0.00 0.00 55.95 55.92 3gas s SER 160 Cb 0.18 0.57 1.22 0.00 0.10 0.00 0.00 66.02 68.08 3gas s SER 160 CO 0.80 -1.09 1.97 0.00 0.98 0.00 0.00 173.24 175.89 3gas h ALA 161 N 2.00 1.19 -0.01 5.32 0.00 -1.90 -2.51 119.26 123.35 3gas h ALA 161 Ca -0.26 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3gas h ALA 161 Cb 1.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3gas h ALA 161 CO 0.32 0.22 -0.19 0.44 0.00 0.00 0.00 179.25 180.03 3gas n ILE 162 N -3.57 0.00 -3.26 0.00 -5.35 -1.26 -4.44 119.36 101.47 3gas n ILE 162 Ca -0.01 -0.24 -0.25 0.00 -0.27 0.00 0.00 62.75 61.98 3gas n ILE 162 Cb 0.32 0.76 -0.07 0.00 -1.74 0.00 0.00 39.64 38.91 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 -0.00 1.13 -4.72 7.28 7.94 -0.95 -5.06 117.00 122.62 3gas n LEU 163 Ca 0.14 -4.89 -0.38 0.00 -1.11 0.00 0.00 56.01 49.77 3gas n LEU 163 Cb 0.41 0.29 -0.06 0.00 0.53 0.00 0.00 43.42 44.59 3gas n LEU 163 CO 0.22 2.06 0.15 -0.13 -1.11 0.00 0.00 177.39 178.58 3gas s ARG 164 N -1.51 4.32 0.42 1.96 0.52 -1.24 -3.64 118.95 119.79 3gas s ARG 164 Ca 0.36 0.40 -0.25 0.00 -0.52 0.00 0.00 55.73 55.71 3gas s ARG 164 Cb 0.16 -3.44 -0.08 0.00 0.52 0.00 0.00 34.95 32.11 3gas s ARG 164 CO -0.09 0.16 1.31 0.15 0.02 0.00 0.00 175.30 176.85 3gas s LYS 165 N 0.64 3.87 -0.02 3.54 1.02 -1.26 -4.80 119.74 122.74 3gas s LYS 165 Ca 0.25 2.15 -0.12 0.00 0.02 0.00 0.00 55.97 58.27 3gas s LYS 165 Cb -0.15 -2.69 0.02 0.00 -0.52 0.00 0.00 37.83 34.49 3gas s LYS 165 CO 0.09 -0.57 0.25 -0.98 -0.92 0.00 0.00 175.35 173.22 3gas s ARG 166 N -2.34 0.58 -0.11 1.68 1.70 -0.94 -0.95 118.95 118.57 3gas s ARG 166 Ca 0.59 -0.22 -0.01 0.00 -0.47 0.00 0.00 55.73 55.62 3gas s ARG 166 Cb -0.38 0.25 0.03 0.00 -0.57 0.00 0.00 34.95 34.29 3gas s ARG 166 CO 0.48 -0.15 -0.03 -1.17 -1.08 0.00 0.00 175.30 173.36 3gas s LEU 167 N -1.23 0.98 -0.03 -1.89 2.96 -0.08 -1.20 118.68 118.19 3gas s LEU 167 Ca -0.13 -0.30 0.06 0.00 -0.22 0.00 0.00 54.13 53.54 3gas s LEU 167 Cb -0.06 -0.65 -0.01 0.00 0.50 0.00 0.00 46.19 45.97 3gas s LEU 167 CO 0.03 -0.18 -0.21 -0.13 -1.32 0.00 0.00 176.35 174.54 3gas s ARG 168 N 1.83 1.91 -0.03 1.98 0.52 -0.19 -0.42 118.95 124.53 3gas s ARG 168 Ca 0.04 -0.75 0.02 0.00 -0.52 0.00 0.00 55.73 54.52 3gas s ARG 168 Cb -0.13 -1.74 0.01 0.00 0.52 0.00 0.00 34.95 33.60 3gas s ARG 168 CO -0.07 0.39 -0.09 0.71 0.02 0.00 0.00 175.30 176.27 3gas s TYR 169 N -0.30 0.98 0.23 -0.53 2.02 -0.12 -0.52 117.35 119.11 3gas s TYR 169 Ca 0.03 -0.27 -0.30 0.00 -0.37 0.00 0.00 57.07 56.16 3gas s TYR 169 Cb -0.10 -0.73 -0.09 0.00 -0.40 0.00 0.00 41.96 40.64 3gas s TYR 169 CO 0.01 -0.14 1.28 0.15 -1.57 0.00 0.00 175.55 175.28 3gas s LYS 170 N 0.39 4.42 0.02 -0.62 -0.14 0.13 -1.35 119.74 122.59 3gas s LYS 170 Ca -0.06 2.04 0.02 0.00 -1.36 0.00 0.00 55.97 56.61 3gas s LYS 170 Cb -0.11 -3.18 -0.01 0.00 -1.68 0.00 0.00 37.83 32.85 3gas s LYS 170 CO 0.01 -0.18 -0.08 0.99 -0.76 0.00 0.00 175.35 175.33 3gas s THR 171 N -0.22 0.57 -0.17 2.17 2.01 0.41 -0.85 115.64 119.57 3gas s THR 171 Ca 0.54 -0.62 -0.06 0.00 0.31 0.00 0.00 61.69 61.86 3gas s THR 171 Cb -0.36 -0.54 -0.03 0.00 0.01 0.00 0.00 72.50 71.57 3gas s THR 171 CO 0.41 -0.06 0.02 0.20 -0.69 0.00 0.00 174.62 174.50 3gas s ASN 172 N -0.75 5.27 0.25 3.53 0.01 -0.36 -3.62 114.94 119.27 3gas s ASN 172 Ca -0.02 0.00 0.10 0.00 -0.71 0.00 0.00 52.86 52.23 3gas s ASN 172 Cb -0.06 -1.87 -0.04 0.00 0.41 0.00 0.00 41.25 39.70 3gas s ASN 172 CO 0.00 0.18 -0.04 0.42 -1.51 0.00 0.00 177.10 176.15 3gas s THR 173 N 0.29 3.30 -0.12 1.60 -4.23 0.14 -0.72 115.64 115.90 3gas s THR 173 Ca 0.01 -1.91 -0.23 0.00 -1.18 0.00 0.00 61.69 58.38 3gas s THR 173 Cb -0.13 -2.73 0.05 0.00 1.34 0.00 0.00 72.50 71.03 3gas s THR 173 CO 0.01 -0.32 0.56 0.00 -0.54 0.00 0.00 174.62 174.33 3gas s ARG 174 N -3.48 0.80 0.33 3.99 1.70 -1.09 -4.73 118.95 116.47 3gas s ARG 174 Ca 0.30 0.41 -0.26 0.00 -0.47 0.00 0.00 55.73 55.70 3gas s ARG 174 Cb -0.07 0.38 -0.09 0.00 -0.57 0.00 0.00 34.95 34.60 3gas s ARG 174 CO 0.18 -0.19 1.00 -0.06 -1.08 0.00 0.00 175.30 175.16 3gas s PHE 175 N -0.54 3.58 -0.17 5.89 0.08 -1.26 -0.72 117.98 124.83 3gas s PHE 175 Ca -0.07 1.74 -0.02 0.00 0.12 0.00 0.00 56.93 58.71 3gas s PHE 175 Cb -0.03 -3.05 -0.01 0.00 -0.57 0.00 0.00 43.02 39.36 3gas s PHE 175 CO 0.05 -0.14 -0.08 0.42 -0.10 0.00 0.00 175.22 175.36 3gas s ILE 176 N -1.51 3.28 0.76 0.64 -1.09 -0.21 -4.86 121.20 118.20 3gas s ILE 176 Ca 0.51 -0.56 -0.11 0.00 -2.23 0.00 0.00 60.65 58.26 3gas s ILE 176 Cb -0.22 -2.43 0.05 0.00 -1.58 0.00 0.00 42.46 38.27 3gas s ILE 176 CO 0.28 0.48 1.09 -1.61 -1.23 0.00 0.00 174.94 173.96 3gas s GLU 177 N 0.80 2.37 0.61 2.79 0.41 -1.26 -4.29 118.70 120.12 3gas s GLU 177 Ca -0.03 0.67 -0.19 0.00 -0.41 0.00 0.00 54.97 55.02 3gas s GLU 177 Cb -0.15 -1.95 -0.03 0.00 -1.78 0.00 0.00 34.13 30.22 3gas s GLU 177 CO 0.01 -1.43 1.22 1.03 -0.49 0.00 0.00 175.26 175.61 3gas s ARG 178 N -5.16 2.88 0.00 1.61 1.81 -1.26 -4.44 118.95 114.39 3gas s ARG 178 Ca 0.60 1.86 0.00 0.00 -1.72 0.00 0.00 55.73 56.47 3gas s ARG 178 Cb -0.14 -1.91 0.00 0.00 -0.45 0.00 0.00 34.95 32.45 3gas s ARG 178 CO 0.54 -1.29 0.00 0.41 -0.68 0.00 0.00 175.30 174.28 3gas n GLY 179 N 0.57 0.36 0.06 -3.53 0.00 -1.26 -4.91 105.19 96.48 3gas n GLY 179 Ca 0.14 -1.45 -0.12 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.01 -0.37 4.61 0.00 -1.99 -0.68 119.26 120.82 3gas h ALA 180 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3gas h ALA 180 Cb 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3gas h ALA 180 CO 0.00 -0.51 0.23 1.49 0.00 0.00 0.00 179.25 180.46 3gas h GLU 181 N -0.03 0.46 0.22 0.00 4.81 -1.92 -1.63 114.58 116.50 3gas h GLU 181 Ca 0.01 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3gas h GLU 181 Cb 0.04 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 3gas h GLU 181 CO -0.02 0.31 -0.29 0.35 -0.73 0.00 0.00 179.01 178.62 3gas h PHE 182 N 0.48 -0.79 -0.68 0.92 3.57 -1.73 -2.32 116.94 116.39 3gas h PHE 182 Ca 0.14 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.68 3gas h PHE 182 Cb -0.03 0.32 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 3gas h PHE 182 CO -0.06 -0.41 0.45 -0.44 -2.23 0.00 0.00 178.31 175.61 3gas h ASP 183 N -0.57 0.69 -0.32 0.41 3.32 -0.92 -0.47 116.42 118.56 3gas h ASP 183 Ca 0.01 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3gas h ASP 183 Cb 0.56 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 3gas h ASP 183 CO -0.11 0.48 0.05 0.50 -1.72 0.00 0.00 179.24 178.44 3gas h LYS 184 N 0.80 0.53 -0.16 3.56 3.64 -1.02 0.17 116.57 124.09 3gas h LYS 184 Ca 0.27 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 3gas h LYS 184 Cb 0.08 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3gas h LYS 184 CO -0.08 0.62 0.06 0.00 -2.27 0.00 0.00 179.45 177.78 3gas h ALA 185 N 0.89 0.21 -0.49 5.00 0.00 -0.97 -2.22 119.26 121.69 3gas h ALA 185 Ca 0.10 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3gas h ALA 185 Cb 0.35 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3gas h ALA 185 CO 0.01 -0.18 -0.02 0.35 0.00 0.00 0.00 179.25 179.41 3gas h PHE 186 N 0.10 0.95 -0.88 0.00 3.57 -1.00 -1.33 116.94 118.36 3gas h PHE 186 Ca 0.05 -0.17 -0.02 0.00 3.53 0.00 0.00 57.97 61.36 3gas h PHE 186 Cb 0.20 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.65 3gas h PHE 186 CO -0.01 0.91 0.48 -0.44 -2.23 0.00 0.00 178.31 177.02 3gas h ASP 187 N 0.73 1.10 -0.73 0.41 3.32 -0.69 0.21 116.42 120.77 3gas h ASP 187 Ca 0.14 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 3gas h ASP 187 Cb 0.54 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 3gas h ASP 187 CO 0.03 0.88 0.37 -1.28 -1.72 0.00 0.00 179.24 177.52 3gas h SER 188 N 1.23 0.94 -0.34 6.45 0.87 -1.13 -0.46 113.55 121.11 3gas h SER 188 Ca 0.31 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 3gas h SER 188 Cb 0.03 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 3gas h SER 188 CO -0.05 0.79 0.15 0.15 -0.53 0.00 0.00 176.83 177.34 3gas h PHE 189 N 1.02 0.50 -0.45 2.24 3.57 -0.48 -0.92 116.94 122.42 3gas h PHE 189 Ca 0.25 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.74 3gas h PHE 189 Cb 0.09 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 3gas h PHE 189 CO 0.00 0.46 0.27 0.82 -2.23 0.00 0.00 178.31 177.63 3gas h ILE 190 N 0.40 1.07 -0.21 1.41 2.04 -0.65 -0.73 117.51 120.83 3gas h ILE 190 Ca 0.11 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 3gas h ILE 190 Cb 0.16 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3gas h ILE 190 CO -0.01 0.10 0.12 -0.08 0.00 0.00 0.00 178.15 178.28 3gas h GLU 191 N 0.55 0.30 -0.01 2.37 4.81 -0.75 0.90 114.58 122.75 3gas h GLU 191 Ca 0.17 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3gas h GLU 191 Cb -0.01 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 3gas h GLU 191 CO -0.07 0.26 0.00 -0.22 -0.73 0.00 0.00 179.01 178.26 3gas h LYS 192 N 0.25 0.01 0.00 1.92 3.64 -1.00 -3.21 116.57 118.18 3gas h LYS 192 Ca 0.08 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 3gas h LYS 192 Cb 0.05 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3gas h LYS 192 CO -0.01 0.17 -0.39 1.79 -2.27 0.00 0.00 179.45 178.74 3gas h THR 193 N -0.15 0.75 0.00 1.00 1.35 -1.12 -3.47 112.91 111.27 3gas h THR 193 Ca 0.00 -1.77 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 3gas h THR 193 Cb 0.16 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 3gas h THR 193 CO -0.00 0.38 0.00 0.61 -0.25 0.00 0.00 175.52 176.26 3gas n GLY 194 N 0.78 1.85 2.47 5.82 0.00 0.25 -4.68 105.19 111.68 3gas n GLY 194 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.56 0.38 4.01 -0.02 0.00 -0.84 -4.93 105.19 102.23 3gas n GLY 195 Ca 0.00 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.62 3.99 0.00 4.61 0.00 -1.26 -4.18 121.76 123.29 3gas s ALA 196 Ca 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 51.96 49.99 3gas s ALA 196 Cb 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.31 3gas s ALA 196 CO 0.00 -1.45 0.00 0.41 0.00 0.00 0.00 175.76 174.72 3gas n GLY 197 N -2.77 0.54 0.00 0.00 0.00 -1.26 -3.82 105.19 97.89 3gas n GLY 197 Ca 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.90 0.88 0.35 -0.02 0.00 -1.26 -4.98 105.19 97.25 3gas n GLY 198 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.11 -0.24 -0.61 2.04 -1.79 -1.23 117.51 116.80 3gas h ILE 199 Ca 0.00 -0.38 -0.09 0.00 1.00 0.00 0.00 64.86 65.39 3gas h ILE 199 Cb 0.00 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 35.96 3gas h ILE 199 CO 0.00 0.20 -0.24 0.11 0.00 0.00 0.00 178.15 178.22 3gas h LYS 200 N 1.12 0.44 -0.05 2.37 1.57 -1.87 -2.49 116.57 117.65 3gas h LYS 200 Ca 0.38 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 3gas h LYS 200 Cb 0.08 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 3gas h LYS 200 CO -0.14 0.65 -0.03 1.15 -0.57 0.00 0.00 179.45 180.51 3gas h THR 201 N 0.39 1.33 0.00 -0.16 2.02 -1.74 -3.17 112.91 111.59 3gas h THR 201 Ca 0.06 -1.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.20 3gas h THR 201 Cb 0.64 1.91 -0.00 0.00 -1.74 0.00 0.00 68.15 68.96 3gas h THR 201 CO 0.05 0.28 -0.02 0.16 0.37 0.00 0.00 175.52 176.35 3gas h ILE 202 N -0.28 0.08 -0.41 3.11 3.07 -1.16 -1.97 117.51 119.96 3gas h ILE 202 Ca 0.01 -0.46 -0.01 0.00 1.55 0.00 0.00 64.86 65.95 3gas h ILE 202 Cb 0.47 1.42 -0.02 0.00 -0.27 0.00 0.00 36.82 38.42 3gas h ILE 202 CO 0.01 0.02 0.21 -0.09 -1.05 0.00 0.00 178.15 177.25 3gas h ARG 203 N 0.00 0.57 -5.00 0.16 2.43 -1.41 -3.45 114.38 107.68 3gas h ARG 203 Ca -0.00 -0.06 -0.71 0.00 -0.81 0.00 0.00 59.98 58.40 3gas h ARG 203 Cb 0.42 -0.12 -0.16 0.00 -0.42 0.00 0.00 29.97 29.69 3gas h ARG 203 CO 0.00 0.44 1.29 0.00 -1.51 0.00 0.00 179.97 180.19 3gas s ALA 204 N -5.36 3.70 0.00 2.80 0.00 -0.74 -5.05 121.76 117.11 3gas s ALA 204 Ca -0.08 -3.10 0.00 0.00 0.00 0.00 0.00 51.96 48.78 3gas s ALA 204 Cb 0.17 -4.17 0.00 0.00 0.00 0.00 0.00 23.12 19.12 3gas s ALA 204 CO 0.74 -2.92 0.00 1.04 0.00 0.00 0.00 175.76 174.62 3gas n GLN 206 N 6.31 0.89 0.00 0.00 1.13 -1.26 -5.05 117.38 119.40 3gas n GLN 206 Ca 0.34 0.00 0.14 0.00 -1.94 0.00 0.00 57.00 55.54 3gas n GLN 206 Cb 0.45 -0.07 0.69 0.00 0.11 0.00 0.00 30.24 31.41 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 0.00 0.09 -4.85 1.08 5.75 -1.26 -4.78 116.55 112.58 3gas n ASP 207 Ca 0.00 -0.06 -0.36 0.00 -0.01 0.00 0.00 54.79 54.36 3gas n ASP 207 Cb 0.00 -0.28 -0.06 0.00 -1.03 0.00 0.00 41.12 39.75 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 -2.68 3.64 0.00 2.11 0.08 -1.26 -1.10 117.98 118.78 3gas s PHE 208 Ca 0.24 0.94 0.04 0.00 0.12 0.00 0.00 56.93 58.27 3gas s PHE 208 Cb 0.20 -2.27 -0.01 0.00 -0.57 0.00 0.00 43.02 40.37 3gas s PHE 208 CO 0.49 0.52 -0.11 -1.01 -0.10 0.00 0.00 175.22 175.01 3gas s HIS 209 N -1.33 1.02 -0.07 0.36 3.76 0.14 -4.94 115.29 114.22 3gas s HIS 209 Ca 0.32 -0.23 -0.19 0.00 -0.15 0.00 0.00 55.06 54.81 3gas s HIS 209 Cb -0.15 -0.64 -0.05 0.00 1.11 0.00 0.00 32.58 32.85 3gas s HIS 209 CO 0.17 -0.01 0.52 -1.17 -0.85 0.00 0.00 174.74 173.40 3gas s LEU 210 N -0.50 4.34 -0.12 0.89 2.96 -1.26 -1.39 118.68 123.60 3gas s LEU 210 Ca 0.03 0.96 0.00 0.00 -0.22 0.00 0.00 54.13 54.90 3gas s LEU 210 Cb -0.05 -2.77 0.02 0.00 0.50 0.00 0.00 46.19 43.89 3gas s LEU 210 CO -0.00 0.06 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.35 3gas s ILE 211 N 0.21 1.25 0.38 6.68 1.01 0.28 -1.05 121.20 129.97 3gas s ILE 211 Ca 0.28 -0.45 -0.25 0.00 0.00 0.00 0.00 60.65 60.23 3gas s ILE 211 Cb -0.16 -1.21 -0.09 0.00 0.01 0.00 0.00 42.46 41.01 3gas s ILE 211 CO 0.13 0.40 1.07 0.00 0.00 0.00 0.00 174.94 176.55 3gas s ALA 212 N 1.45 3.14 -0.24 9.38 0.00 0.10 -0.74 121.76 134.85 3gas s ALA 212 Ca 0.02 0.77 -0.05 0.00 0.00 0.00 0.00 51.96 52.69 3gas s ALA 212 Cb -0.13 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 3gas s ALA 212 CO -0.07 -0.26 0.01 -0.51 0.00 0.00 0.00 175.76 174.93 3gas s LEU 213 N -2.46 3.22 -0.46 0.00 1.43 0.15 -2.69 118.68 117.88 3gas s LEU 213 Ca 0.56 -0.42 -0.09 0.00 -1.03 0.00 0.00 54.13 53.15 3gas s LEU 213 Cb -0.25 -1.81 0.11 0.00 0.03 0.00 0.00 46.19 44.28 3gas s LEU 213 CO 0.31 -0.06 0.32 -1.81 0.23 0.00 0.00 176.35 175.34 3gas s ASP 214 N 1.51 5.65 0.30 2.29 1.01 0.10 -4.43 116.67 123.10 3gas s ASP 214 Ca 0.05 -1.86 -0.29 0.00 0.71 0.00 0.00 52.55 51.16 3gas s ASP 214 Cb -0.15 -1.99 -0.10 0.00 1.01 0.00 0.00 42.92 41.69 3gas s ASP 214 CO -0.00 -0.66 1.22 -0.36 0.21 0.00 0.00 175.17 175.58 3gas s PHE 215 N 1.35 3.29 0.00 4.23 0.08 -1.26 -1.22 117.98 124.45 3gas s PHE 215 Ca 0.05 1.52 0.00 0.00 0.12 0.00 0.00 56.93 58.62 3gas s PHE 215 Cb -0.25 -3.50 0.00 0.00 -0.57 0.00 0.00 43.02 38.69 3gas s PHE 215 CO -0.01 -1.30 0.00 1.63 -0.10 0.00 0.00 175.22 175.44 3gas n LYS 216 N 1.15 0.00 -1.86 0.44 5.02 -0.03 -4.87 118.16 118.01 3gas n LYS 216 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 3gas n LYS 216 Cb 0.43 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.43 3gas n LYS 216 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3gas s GLU 217 N 3.28 4.17 0.18 1.97 8.01 -1.26 -4.57 118.70 130.48 3gas s GLU 217 Ca 0.00 2.48 0.08 0.00 0.01 0.00 0.00 54.97 57.54 3gas s GLU 217 Cb 0.00 -3.04 -0.04 0.00 -4.31 0.00 0.00 34.13 26.74 3gas s GLU 217 CO 0.00 -0.53 -0.16 0.20 0.01 0.00 0.00 175.26 174.77 3gas s GLY 218 N 0.30 1.38 -0.05 -1.39 0.00 0.09 -0.69 107.32 106.96 3gas s GLY 218 Ca 0.60 -1.54 -0.00 0.00 0.00 0.00 0.00 44.72 43.77 3gas s GLY 218 CO 0.49 -1.61 -0.00 -1.60 0.00 0.00 0.00 173.10 170.38 3gas s ARG 219 N -3.12 0.47 -0.10 2.90 6.06 0.32 -0.47 118.95 125.02 3gas s ARG 219 Ca 0.18 0.08 0.03 0.00 -2.50 0.00 0.00 55.73 53.52 3gas s ARG 219 Cb -0.04 -0.72 -0.01 0.00 0.06 0.00 0.00 34.95 34.24 3gas s ARG 219 CO 0.06 -0.20 -0.20 0.12 -2.50 0.00 0.00 175.30 172.58 3gas s PHE 220 N 1.43 2.62 -0.12 5.12 5.36 0.03 -1.03 117.98 131.40 3gas s PHE 220 Ca -0.04 -0.79 0.00 0.00 -0.96 0.00 0.00 56.93 55.15 3gas s PHE 220 Cb -0.13 -1.72 0.02 0.00 -0.34 0.00 0.00 43.02 40.85 3gas s PHE 220 CO -0.03 -0.27 -0.10 0.08 -1.46 0.00 0.00 175.22 173.45 3gas s VAL 221 N 0.16 1.17 0.00 3.12 1.01 -0.34 -0.21 120.40 125.32 3gas s VAL 221 Ca -0.11 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.48 3gas s VAL 221 Cb -0.16 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.07 3gas s VAL 221 CO 0.06 0.39 0.12 2.29 0.00 0.00 0.00 175.10 177.96 3gas n LYS 222 N 4.80 4.65 -3.69 2.72 2.85 -0.89 -2.22 118.16 126.38 3gas n LYS 222 Ca -0.14 -0.12 0.01 0.00 -1.05 0.00 0.00 58.31 57.00 3gas n LYS 222 Cb 0.50 -0.60 -0.00 0.00 -0.65 0.00 0.00 35.03 34.28 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 -0.70 -0.34 0.14 2.58 0.00 -1.23 -4.92 107.32 102.86 3gas s GLY 223 Ca 0.00 0.49 -0.31 0.00 0.00 0.00 0.00 44.72 44.90 3gas s GLY 223 CO 0.00 0.66 1.49 -1.36 0.00 0.00 0.00 173.10 173.88 3gas s PHE 224 N -2.53 3.15 -1.40 1.90 0.08 -1.26 -1.31 117.98 116.60 3gas s PHE 224 Ca 0.15 0.78 0.00 0.00 0.12 0.00 0.00 56.93 57.98 3gas s PHE 224 Cb 0.03 -3.81 0.00 0.00 -0.57 0.00 0.00 43.02 38.67 3gas s PHE 224 CO -0.02 -2.94 0.00 0.41 -0.10 0.00 0.00 175.22 172.57 3gas n GLY 225 N 3.61 1.28 2.34 4.36 0.00 -1.26 -4.91 105.19 110.61 3gas n GLY 225 Ca 0.13 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.58 1.58 -4.55 1.61 6.02 -0.43 -4.88 117.38 114.15 3gas n GLN 226 Ca -0.14 -3.87 -0.32 0.00 -0.01 0.00 0.00 57.00 52.66 3gas n GLN 226 Cb 0.46 -1.72 -0.11 0.00 1.02 0.00 0.00 30.24 29.89 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 -1.99 2.87 0.02 -1.58 0.00 -1.26 -2.09 121.76 117.72 3gas s ALA 227 Ca 0.39 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 51.30 3gas s ALA 227 Cb 0.20 -1.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 3gas s ALA 227 CO -0.08 0.60 -0.06 0.71 0.00 0.00 0.00 175.76 176.93 3gas s TYR 228 N -0.95 0.54 -0.11 0.00 2.02 0.71 -1.15 117.35 118.42 3gas s TYR 228 Ca 0.16 -0.32 -0.07 0.00 -0.37 0.00 0.00 57.07 56.47 3gas s TYR 228 Cb -0.11 -0.34 -0.04 0.00 -0.40 0.00 0.00 41.96 41.08 3gas s TYR 228 CO 0.06 -0.06 0.15 -0.51 -1.57 0.00 0.00 175.55 173.62 3gas s ASP 229 N -0.95 6.39 0.04 2.29 1.01 0.35 -0.79 116.67 125.02 3gas s ASP 229 Ca -0.05 0.46 0.05 0.00 0.71 0.00 0.00 52.55 53.72 3gas s ASP 229 Cb -0.07 -2.07 -0.02 0.00 1.01 0.00 0.00 42.92 41.78 3gas s ASP 229 CO 0.00 0.40 -0.14 -0.63 0.21 0.00 0.00 175.17 175.00 3gas s ILE 230 N -1.06 1.14 -0.30 0.77 1.01 0.38 -1.09 121.20 122.06 3gas s ILE 230 Ca 0.16 -1.06 -0.06 0.00 0.00 0.00 0.00 60.65 59.69 3gas s ILE 230 Cb -0.12 -1.04 0.16 0.00 0.01 0.00 0.00 42.46 41.46 3gas s ILE 230 CO 0.05 -0.02 0.64 -0.22 0.00 0.00 0.00 174.94 175.39 3gas s LEU 231 N -1.24 -1.25 0.00 2.97 2.96 -0.66 -0.73 118.68 120.74 3gas s LEU 231 Ca 0.01 1.22 0.00 0.00 -0.22 0.00 0.00 54.13 55.15 3gas s LEU 231 Cb -0.08 2.22 0.00 0.00 0.50 0.00 0.00 46.19 48.83 3gas s LEU 231 CO 0.01 -0.24 0.00 0.61 -1.32 0.00 0.00 176.35 175.42 3gas n GLY 232 N 5.43 3.28 1.42 7.98 0.00 -1.26 -1.27 105.19 120.78 3gas n GLY 232 Ca -0.07 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 5.92 4.15 -4.87 1.61 5.75 -1.26 -4.93 116.55 122.92 3gas n ASP 233 Ca 0.00 -2.08 -0.37 0.00 -0.01 0.00 0.00 54.79 52.33 3gas n ASP 233 Cb 0.00 -0.52 -0.06 0.00 -1.03 0.00 0.00 41.12 39.51 3gas n ASP 233 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3gas s LYS 234 N -1.15 3.56 -0.01 0.11 1.02 -0.39 -5.09 119.74 117.78 3gas s LYS 234 Ca 0.50 0.00 -0.00 0.00 0.02 0.00 0.00 55.97 56.49 3gas s LYS 234 Cb 0.27 -3.20 0.01 0.00 -0.52 0.00 0.00 37.83 34.40 3gas s LYS 234 CO 0.32 0.76 0.03 -1.50 -0.92 0.00 0.00 175.35 174.04 3gas s ILE 235 N -1.04 -0.02 0.01 2.17 2.07 -1.26 -1.65 121.20 121.48 3gas s ILE 235 Ca 0.17 0.08 0.02 0.00 -1.41 0.00 0.00 60.65 59.51 3gas s ILE 235 Cb -0.13 -0.06 -0.01 0.00 0.13 0.00 0.00 42.46 42.39 3gas s ILE 235 CO 0.06 0.03 -0.06 0.00 -1.91 0.00 0.00 174.94 173.07 3gas s ALA 236 N 0.44 0.45 0.33 1.50 0.00 -0.25 -4.98 121.76 119.25 3gas s ALA 236 Ca -0.04 -0.38 -0.28 0.00 0.00 0.00 0.00 51.96 51.27 3gas s ALA 236 Cb -0.05 -0.06 -0.09 0.00 0.00 0.00 0.00 23.12 22.92 3gas s ALA 236 CO -0.01 0.06 1.14 -0.47 0.00 0.00 0.00 175.76 176.48 3gas s TYR 237 N -0.50 3.33 -0.56 0.00 5.04 -1.26 -0.49 117.35 122.91 3gas s TYR 237 Ca -0.02 1.61 0.23 0.00 -2.44 0.00 0.00 57.07 56.46 3gas s TYR 237 Cb -0.04 -3.35 0.18 0.00 0.35 0.00 0.00 41.96 39.09 3gas s TYR 237 CO -0.00 -0.95 1.17 0.28 -1.34 0.00 0.00 175.55 174.70 3gas n VAL 238 N 0.69 0.33 -2.78 3.14 0.31 -0.30 -4.65 118.33 115.07 3gas n VAL 238 Ca 0.01 -0.31 -0.29 0.00 -0.01 0.00 0.00 64.34 63.74 3gas n VAL 238 Cb 0.45 -0.05 -0.02 0.00 -0.91 0.00 0.00 33.84 33.31 3gas n VAL 238 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gas n GLY 239 N 1.32 5.76 0.20 2.92 0.00 -1.26 -4.74 105.19 109.40 3gas n GLY 239 Ca 0.02 -2.75 0.05 0.00 0.00 0.00 0.00 46.02 43.35 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 3.07 0.00 0.57 1.61 3.32 -1.99 -2.36 116.42 120.64 3gas h ASP 240 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3gas h ASP 240 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3gas h ASP 240 CO 0.90 0.31 0.00 0.29 -1.72 0.00 0.00 179.24 179.02 3gas n LYS 241 N -3.93 0.35 0.00 3.56 5.02 -1.26 -5.03 118.16 116.87 3gas n LYS 241 Ca -0.02 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 3gas n LYS 241 Cb 0.38 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 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 1.12 -2.64 2.88 0.72 0.00 -0.89 -4.90 105.19 101.48 3gas n GLY 242 Ca 0.12 -1.65 -0.53 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.56 0.83 -0.06 1.61 2.85 -0.97 -4.83 115.26 114.14 3gas n ASN 243 Ca 0.00 0.79 0.11 0.00 -0.11 0.00 0.00 54.58 55.37 3gas n ASN 243 Cb 0.00 -0.72 0.04 0.00 1.24 0.00 0.00 39.78 40.34 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 4.48 0.15 -1.08 1.20 -0.04 -1.26 -4.62 135.00 133.84 3gas n PRO 244 Ca 0.34 -0.12 -0.29 0.00 -0.04 0.00 0.00 63.50 63.39 3gas n PRO 244 Cb -0.04 -1.50 0.16 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 -2.93 2.10 -1.68 0.54 3.76 -1.26 -2.90 115.29 112.93 3gas s HIS 245 Ca 0.11 1.23 0.00 0.00 -0.15 0.00 0.00 55.06 56.25 3gas s HIS 245 Cb 0.17 -3.19 0.00 0.00 1.11 0.00 0.00 32.58 30.67 3gas s HIS 245 CO 0.77 -2.72 0.00 0.09 -0.85 0.00 0.00 174.74 172.02 3gas n ASN 246 N -4.11 -5.42 -3.70 1.40 5.03 -1.26 -2.63 115.26 104.58 3gas n ASN 246 Ca 0.06 0.06 -0.24 0.00 0.87 0.00 0.00 54.58 55.33 3gas n ASN 246 Cb 0.55 -4.49 0.05 0.00 -1.02 0.00 0.00 39.78 34.87 3gas n ASN 246 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 3gas n PHE 247 N -3.77 -2.33 0.52 3.10 3.72 -1.24 -5.27 117.46 112.20 3gas n PHE 247 Ca -0.22 0.92 0.04 0.00 -0.05 0.00 0.00 57.45 58.15 3gas n PHE 247 Cb 0.66 -4.55 0.25 0.00 -0.94 0.00 0.00 39.48 34.90 3gas n PHE 247 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71