#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 0.35 -0.34 1.96 -0.00 -1.99 -0.23 115.58 115.33 3gas h ASN 3 Ca 0.00 0.05 -0.11 0.00 -0.00 0.00 0.00 56.30 56.24 3gas h ASN 3 Cb 0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 38.32 38.30 3gas h ASN 3 CO 0.00 0.23 -0.18 0.03 -0.00 0.00 0.00 177.43 177.51 3gas h ARG 4 N 0.50 0.80 -0.42 6.67 2.47 -2.05 -1.74 114.38 120.62 3gas h ARG 4 Ca 0.28 -0.30 -0.07 0.00 -1.26 0.00 0.00 59.98 58.63 3gas h ARG 4 Cb 0.26 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.52 3gas h ARG 4 CO -0.23 0.92 -0.00 0.82 0.56 0.00 0.00 179.97 182.04 3gas h ILE 5 N 0.71 1.26 -0.29 2.04 2.04 -1.86 -0.11 117.51 121.31 3gas h ILE 5 Ca 0.11 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 64.94 3gas h ILE 5 Cb 0.69 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 3gas h ILE 5 CO 0.05 0.35 0.19 0.40 0.00 0.00 0.00 178.15 179.14 3gas h ILE 6 N 0.57 1.07 -0.88 -0.67 2.04 -0.93 -2.40 117.51 116.31 3gas h ILE 6 Ca 0.12 -0.13 0.03 0.00 1.00 0.00 0.00 64.86 65.87 3gas h ILE 6 Cb 0.49 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 3gas h ILE 6 CO 0.02 0.07 0.57 -0.08 0.00 0.00 0.00 178.15 178.73 3gas h GLU 7 N 0.38 1.09 -0.28 2.37 4.81 -1.16 -0.07 114.58 121.72 3gas h GLU 7 Ca 0.11 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3gas h GLU 7 Cb -0.04 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.09 3gas h GLU 7 CO -0.03 0.72 0.00 1.58 -0.73 0.00 0.00 179.01 180.56 3gas n HIS 8 N -4.52 0.00 0.00 0.92 -0.00 -0.07 -2.03 115.22 109.53 3gas n HIS 8 Ca 0.11 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.29 3gas n HIS 8 Cb 0.07 -0.03 0.00 0.00 -0.12 0.00 0.00 29.99 29.91 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 0.32 0.00 -0.04 0.26 3.02 -0.04 -1.06 115.26 117.72 3gas n ASN 10 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.46 3gas n ASN 10 Cb 0.07 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.10 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 1.51 0.03 5.41 0.00 -0.86 -4.56 120.51 122.03 3gas n ALA 11 Ca 0.00 -0.88 0.01 0.00 0.00 0.00 0.00 53.44 52.57 3gas n ALA 11 Cb 0.00 -0.72 -0.01 0.00 0.00 0.00 0.00 19.45 18.72 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 -2.98 0.00 -1.89 0.00 8.25 -0.23 -4.81 115.22 113.57 3gas n HIS 12 Ca -0.20 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.30 3gas n HIS 12 Cb 1.07 -0.03 0.15 0.00 1.12 0.00 0.00 29.99 32.30 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 -1.40 0.17 -0.09 4.41 8.25 -1.26 -4.82 115.22 120.48 3gas n HIS 13 Ca -0.00 -1.29 -0.09 0.00 -0.26 0.00 0.00 57.72 56.08 3gas n HIS 13 Cb 0.04 -0.23 -0.02 0.00 1.12 0.00 0.00 29.99 30.91 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 2.74 1.11 -0.76 1.59 2.07 -1.87 -2.54 116.25 118.60 3gas h VAL 14 Ca -0.04 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 3gas h VAL 14 Cb 1.27 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 3gas h VAL 14 CO 0.07 0.11 0.33 -0.33 0.02 0.00 0.00 177.57 177.77 3gas h GLU 15 N 0.40 1.11 -1.80 1.57 4.39 -1.97 -1.56 114.58 116.72 3gas h GLU 15 Ca 0.11 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3gas h GLU 15 Cb 0.02 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.48 3gas h GLU 15 CO -0.02 0.88 0.00 -0.25 -1.16 0.00 0.00 179.01 178.46 3gas n ASP 16 N -4.30 0.50 0.00 1.42 8.00 -0.96 -0.94 116.55 120.28 3gas n ASP 16 Ca 0.07 -0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.23 3gas n ASP 16 Cb 0.17 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 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 0.91 0.00 -0.31 -1.24 5.02 -0.59 -0.31 118.16 121.63 3gas n LYS 18 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 3gas n LYS 18 Cb 0.08 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.17 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 1.26 1.27 0.72 0.00 -1.31 -1.26 103.07 103.75 3gas h GLY 19 Ca 0.00 -0.57 -0.14 0.00 0.00 0.00 0.00 47.33 46.62 3gas h GLY 19 CO 0.00 0.55 -0.33 1.41 0.00 0.00 0.00 176.54 178.17 3gas h LEU 20 N 1.18 0.85 -0.55 3.11 3.38 -0.94 0.15 115.31 122.49 3gas h LEU 20 Ca 0.30 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3gas h LEU 20 Cb 0.03 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3gas h LEU 20 CO -0.05 1.10 0.27 -0.07 0.09 0.00 0.00 178.44 179.78 3gas h LEU 21 N 0.68 0.71 0.07 1.67 3.38 -1.72 0.16 115.31 120.26 3gas h LEU 21 Ca 0.07 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3gas h LEU 21 Cb 0.88 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3gas h LEU 21 CO 0.08 0.64 -0.03 0.50 0.09 0.00 0.00 178.44 179.71 3gas h LYS 22 N 0.74 -0.09 0.36 1.13 3.64 -1.11 -0.35 116.57 120.89 3gas h LYS 22 Ca 0.19 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 3gas h LYS 22 Cb 0.11 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3gas h LYS 22 CO -0.02 0.22 -0.17 -0.22 -2.27 0.00 0.00 179.45 176.98 3gas h LYS 23 N -0.41 -0.47 0.00 1.90 3.64 -0.88 -1.84 116.57 118.52 3gas h LYS 23 Ca -0.01 0.03 -0.23 0.00 -1.27 0.00 0.00 60.65 59.17 3gas h LYS 23 Cb 0.35 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 3gas h LYS 23 CO 0.02 -0.22 -1.51 0.74 -2.27 0.00 0.00 179.45 176.21 3gas h PHE 24 N -0.65 0.00 -0.01 1.91 0.04 -1.09 -0.29 116.94 116.84 3gas h PHE 24 Ca -0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.72 3gas h PHE 24 Cb 0.47 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.62 3gas h PHE 24 CO -0.01 0.82 -0.08 0.41 -0.60 0.00 0.00 178.31 178.85 3gas n GLY 25 N 1.47 -0.21 3.50 -1.45 0.00 -0.22 -4.84 105.19 103.44 3gas n GLY 25 Ca -0.12 -0.34 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 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 0.36 -5.04 -3.53 1.61 1.13 -0.69 -4.95 117.38 106.27 3gas n GLN 26 Ca 0.06 0.67 -0.41 0.00 -1.94 0.00 0.00 57.00 55.38 3gas n GLN 26 Cb 0.28 -5.52 -0.11 0.00 0.11 0.00 0.00 30.24 25.00 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 -3.17 5.10 -0.10 5.09 1.01 -0.83 -4.96 120.40 122.54 3gas s VAL 27 Ca 0.49 -0.50 0.15 0.00 0.00 0.00 0.00 61.98 62.12 3gas s VAL 27 Cb -0.24 -3.73 -0.21 0.00 0.00 0.00 0.00 36.38 32.20 3gas s VAL 27 CO 0.61 -0.15 0.16 1.41 0.00 0.00 0.00 175.10 177.13 3gas n HIS 28 N 5.10 0.00 -2.54 5.22 8.25 -1.26 -2.91 115.22 127.08 3gas n HIS 28 Ca -0.12 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.09 3gas n HIS 28 Cb 0.48 -0.61 0.00 0.00 1.12 0.00 0.00 29.99 30.98 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 -2.38 3.18 -2.74 4.41 8.25 -1.26 -5.04 115.22 119.63 3gas n HIS 29 Ca -0.17 -3.15 -0.40 0.00 -0.26 0.00 0.00 57.72 53.75 3gas n HIS 29 Cb 0.79 -0.14 -0.06 0.00 1.12 0.00 0.00 29.99 31.69 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 -3.48 3.33 0.47 -1.41 0.00 -1.26 -5.04 121.76 114.37 3gas s ALA 30 Ca 0.46 0.62 0.04 0.00 0.00 0.00 0.00 51.96 53.07 3gas s ALA 30 Cb 0.40 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.27 3gas s ALA 30 CO -0.16 0.19 0.03 -1.21 0.00 0.00 0.00 175.76 174.61 3gas s GLU 31 N -1.29 2.12 -1.48 0.00 2.02 -1.26 -4.78 118.70 114.02 3gas s GLU 31 Ca 0.42 -2.26 -0.04 0.00 0.02 0.00 0.00 54.97 53.10 3gas s GLU 31 Cb -0.25 -1.61 0.04 0.00 0.10 0.00 0.00 34.13 32.40 3gas s GLU 31 CO 0.31 -0.25 0.49 -1.71 0.02 0.00 0.00 175.26 174.12 3gas n ASN 32 N -1.18 -1.01 -4.69 -0.19 5.15 -1.26 0.33 115.26 112.40 3gas n ASN 32 Ca -0.13 -1.01 -0.42 0.00 -0.60 0.00 0.00 54.58 52.41 3gas n ASN 32 Cb 0.67 -2.94 -0.03 0.00 -0.53 0.00 0.00 39.78 36.95 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 -3.82 4.47 -0.01 3.44 1.01 -1.26 -3.90 120.40 120.32 3gas s VAL 33 Ca 0.18 1.77 -0.19 0.00 0.00 0.00 0.00 61.98 63.74 3gas s VAL 33 Cb -0.10 -4.14 0.04 0.00 0.00 0.00 0.00 36.38 32.18 3gas s VAL 33 CO 0.90 0.04 0.41 0.00 0.00 0.00 0.00 175.10 176.45 3gas s ALA 34 N 1.79 -1.03 0.05 5.51 0.00 -0.49 -5.00 121.76 122.58 3gas s ALA 34 Ca 0.53 0.54 -0.30 0.00 0.00 0.00 0.00 51.96 52.73 3gas s ALA 34 Cb -0.23 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.94 3gas s ALA 34 CO 0.23 -0.32 1.20 0.12 0.00 0.00 0.00 175.76 176.99 3gas s PHE 35 N -1.49 3.41 -0.24 0.00 5.36 -1.26 -0.23 117.98 123.53 3gas s PHE 35 Ca -0.12 1.29 -0.10 0.00 -0.96 0.00 0.00 56.93 57.04 3gas s PHE 35 Cb -0.03 -3.42 -0.11 0.00 -0.34 0.00 0.00 43.02 39.12 3gas s PHE 35 CO 0.04 -1.27 -0.30 1.17 -1.46 0.00 0.00 175.22 173.40 3gas n LYS 36 N 4.07 0.53 -3.72 10.12 4.81 -0.08 -4.83 118.16 129.06 3gas n LYS 36 Ca 0.09 0.21 -0.05 0.00 -0.87 0.00 0.00 58.31 57.69 3gas n LYS 36 Cb 0.46 -1.38 -0.02 0.00 0.02 0.00 0.00 35.03 34.11 3gas n LYS 36 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3gas s SER 37 N -7.05 -0.24 -0.06 3.14 1.04 -1.00 -4.98 113.70 104.55 3gas s SER 37 Ca -0.34 -0.36 -0.06 0.00 0.48 0.00 0.00 55.95 55.68 3gas s SER 37 Cb 0.12 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.79 3gas s SER 37 CO 0.45 -0.95 0.17 0.54 0.98 0.00 0.00 173.24 174.43 3gas s VAL 38 N -3.40 -0.00 0.35 5.02 0.11 -1.26 -1.01 120.40 120.20 3gas s VAL 38 Ca 0.10 0.01 0.08 0.00 -2.93 0.00 0.00 61.98 59.24 3gas s VAL 38 Cb -0.02 -0.24 -0.03 0.00 -1.53 0.00 0.00 36.38 34.56 3gas s VAL 38 CO 0.01 0.01 0.28 1.51 -3.33 0.00 0.00 175.10 173.57 3gas s ASP 39 N 0.18 1.89 0.62 3.54 -4.77 -0.26 -5.01 116.67 112.86 3gas s ASP 39 Ca -0.01 -1.78 0.32 0.00 -3.30 0.00 0.00 52.55 47.78 3gas s ASP 39 Cb -0.02 0.57 1.79 0.00 -1.09 0.00 0.00 42.92 44.17 3gas s ASP 39 CO -0.00 -1.07 2.10 0.77 0.70 0.00 0.00 175.17 177.67 3gas h SER 40 N 2.07 0.00 -0.00 2.11 4.64 -2.00 -2.87 113.55 117.50 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 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3gas h SER 40 CO 0.37 0.00 -0.42 0.00 -0.87 0.00 0.00 176.83 175.91 3gas n GLN 41 N -3.46 2.46 -3.38 4.77 6.02 -1.26 -0.71 117.38 121.82 3gas n GLN 41 Ca 0.00 -0.34 0.00 0.00 -0.01 0.00 0.00 57.00 56.65 3gas n GLN 41 Cb 0.31 -1.12 0.00 0.00 1.02 0.00 0.00 30.24 30.45 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 1.15 -1.32 3.44 1.08 0.00 -1.08 -0.84 105.19 107.61 3gas n GLY 42 Ca 0.04 -0.97 -0.22 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.95 1.88 -0.08 -0.61 -4.36 0.37 -1.10 121.20 114.36 3gas s ILE 43 Ca 0.00 -2.20 0.01 0.00 -0.26 0.00 0.00 60.65 58.20 3gas s ILE 43 Cb 0.00 -2.38 0.02 0.00 1.25 0.00 0.00 42.46 41.35 3gas s ILE 43 CO 0.00 -0.35 -0.08 -0.69 0.24 0.00 0.00 174.94 174.06 3gas s VAL 44 N -2.86 0.90 -0.14 8.37 1.01 -0.18 -0.80 120.40 126.69 3gas s VAL 44 Ca 0.29 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 61.96 3gas s VAL 44 Cb 0.01 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 3gas s VAL 44 CO 0.12 0.33 -0.04 -0.63 0.00 0.00 0.00 175.10 174.88 3gas s ILE 45 N 1.27 3.88 0.15 2.22 1.01 -0.27 -0.91 121.20 128.54 3gas s ILE 45 Ca -0.04 -0.37 -0.01 0.00 0.00 0.00 0.00 60.65 60.23 3gas s ILE 45 Cb -0.14 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 3gas s ILE 45 CO -0.03 0.51 0.32 -0.83 0.00 0.00 0.00 174.94 174.92 3gas s GLY 46 N 0.18 1.94 0.20 6.18 0.00 0.69 -1.34 107.32 115.16 3gas s GLY 46 Ca -0.02 -0.83 -0.21 0.00 0.00 0.00 0.00 44.72 43.66 3gas s GLY 46 CO 0.03 -0.79 0.62 -2.52 0.00 0.00 0.00 173.10 170.44 3gas s TYR 47 N -1.72 -0.36 0.00 1.90 -0.85 -0.17 -1.39 117.35 114.75 3gas s TYR 47 Ca 0.37 0.05 0.00 0.00 -0.52 0.00 0.00 57.07 56.97 3gas s TYR 47 Cb -0.12 0.58 0.00 0.00 0.38 0.00 0.00 41.96 42.80 3gas s TYR 47 CO 0.28 -0.98 0.00 0.09 -1.52 0.00 0.00 175.55 173.42 3gas n ASN 48 N -0.40 -0.74 0.07 -0.18 3.02 0.15 -2.00 115.26 115.19 3gas n ASN 48 Ca -0.12 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.28 3gas n ASN 48 Cb 0.63 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.73 3gas n ASN 48 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 3gas h ASN 49 N 5.45 0.59 0.00 6.41 2.35 -1.93 -3.43 115.58 125.02 3gas h ASN 49 Ca 0.00 -0.50 -0.13 0.00 -0.55 0.00 0.00 56.30 55.12 3gas h ASN 49 Cb 0.00 -0.18 -0.18 0.00 0.05 0.00 0.00 38.32 38.01 3gas h ASN 49 CO 0.00 1.31 -0.44 0.59 -1.65 0.00 0.00 177.43 177.24 3gas n ASN 50 N -3.73 -0.50 -4.73 5.81 4.13 -1.25 -5.14 115.26 109.86 3gas n ASN 50 Ca -0.08 -1.94 -0.23 0.00 1.68 0.00 0.00 54.58 54.01 3gas n ASN 50 Cb 0.88 0.15 -0.06 0.00 -1.54 0.00 0.00 39.78 39.21 3gas n ASN 50 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3gas s GLN 51 N 0.00 2.59 0.09 3.52 -0.21 -0.85 -5.00 119.66 119.80 3gas s GLN 51 Ca 0.07 -1.22 -0.07 0.00 0.02 0.00 0.00 55.36 54.16 3gas s GLN 51 Cb 0.08 -2.36 -0.01 0.00 1.00 0.00 0.00 33.01 31.72 3gas s GLN 51 CO -0.04 0.39 0.16 0.95 -2.12 0.00 0.00 175.29 174.63 3gas s THR 52 N -2.18 0.15 -0.07 -0.19 -4.23 -1.26 -1.00 115.64 106.86 3gas s THR 52 Ca 0.32 -1.31 0.01 0.00 -1.18 0.00 0.00 61.69 59.53 3gas s THR 52 Cb -0.07 -1.42 0.02 0.00 1.34 0.00 0.00 72.50 72.37 3gas s THR 52 CO 0.22 -0.68 -0.09 -0.22 -0.54 0.00 0.00 174.62 173.32 3gas s LEU 53 N -2.88 1.41 -0.15 4.79 2.96 -0.45 -4.98 118.68 119.38 3gas s LEU 53 Ca 0.07 -0.25 -0.07 0.00 -0.22 0.00 0.00 54.13 53.66 3gas s LEU 53 Cb 0.05 -0.71 -0.04 0.00 0.50 0.00 0.00 46.19 45.99 3gas s LEU 53 CO -0.10 -0.03 0.11 -0.60 -1.32 0.00 0.00 176.35 174.41 3gas s ARG 54 N 1.02 3.70 -0.12 1.98 3.52 -1.26 -1.12 118.95 126.66 3gas s ARG 54 Ca -0.09 -0.23 0.01 0.00 -0.13 0.00 0.00 55.73 55.29 3gas s ARG 54 Cb -0.15 -3.21 0.02 0.00 -1.56 0.00 0.00 34.95 30.05 3gas s ARG 54 CO -0.00 0.54 -0.12 0.42 -0.81 0.00 0.00 175.30 175.33 3gas s ILE 55 N -0.37 1.36 0.34 4.11 1.01 0.02 -4.99 121.20 122.69 3gas s ILE 55 Ca 0.11 -0.52 -0.20 0.00 0.00 0.00 0.00 60.65 60.04 3gas s ILE 55 Cb -0.12 -1.29 -0.10 0.00 0.01 0.00 0.00 42.46 40.97 3gas s ILE 55 CO 0.01 0.42 0.84 -1.61 0.00 0.00 0.00 174.94 174.60 3gas s GLU 56 N 1.38 4.21 0.72 2.79 2.02 -1.26 -0.48 118.70 128.08 3gas s GLU 56 Ca 0.01 0.96 -0.11 0.00 0.02 0.00 0.00 54.97 55.85 3gas s GLU 56 Cb -0.13 -2.48 0.02 0.00 0.10 0.00 0.00 34.13 31.64 3gas s GLU 56 CO -0.07 0.15 1.07 -0.06 0.02 0.00 0.00 175.26 176.37 3gas s PHE 57 N -1.92 3.03 -2.03 1.61 0.08 -0.02 -4.92 117.98 113.81 3gas s PHE 57 Ca 0.54 1.37 0.08 0.00 0.12 0.00 0.00 56.93 59.04 3gas s PHE 57 Cb -0.12 -2.94 0.30 0.00 -0.57 0.00 0.00 43.02 39.69 3gas s PHE 57 CO 0.17 -1.38 1.22 0.27 -0.10 0.00 0.00 175.22 175.41 3gas n ASN 58 N -3.21 0.91 -3.50 1.36 0.23 -1.26 -4.82 115.26 104.97 3gas n ASN 58 Ca 0.07 -1.92 -0.11 0.00 -0.53 0.00 0.00 54.58 52.10 3gas n ASN 58 Cb 0.54 -0.10 -0.03 0.00 -2.08 0.00 0.00 39.78 38.11 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 -1.79 -0.43 0.07 -2.53 -3.43 -1.26 -4.38 115.29 101.54 3gas s HIS 59 Ca 0.15 0.41 -0.30 0.00 -0.80 0.00 0.00 55.06 54.52 3gas s HIS 59 Cb 0.08 0.51 -0.05 0.00 -1.43 0.00 0.00 32.58 31.69 3gas s HIS 59 CO 0.11 -0.58 1.08 -2.00 -2.00 0.00 0.00 174.74 171.35 3gas s GLU 60 N -2.68 4.54 -0.57 -0.38 2.12 -1.26 -4.85 118.70 115.63 3gas s GLU 60 Ca 0.01 1.60 -0.19 0.00 0.36 0.00 0.00 54.97 56.75 3gas s GLU 60 Cb -0.01 -3.38 0.08 0.00 0.26 0.00 0.00 34.13 31.09 3gas s GLU 60 CO -0.06 -0.07 0.71 0.08 -0.54 0.00 0.00 175.26 175.38 3gas s VAL 61 N 0.66 4.79 0.32 3.70 1.01 0.11 -4.92 120.40 126.07 3gas s VAL 61 Ca 0.53 -0.75 0.11 0.00 0.00 0.00 0.00 61.98 61.88 3gas s VAL 61 Cb -0.26 -4.45 0.03 0.00 0.00 0.00 0.00 36.38 31.71 3gas s VAL 61 CO 0.30 -1.05 1.72 0.11 0.00 0.00 0.00 175.10 176.18 3gas h LYS 62 N 9.16 0.00 -5.00 2.72 1.79 -1.94 -3.41 116.57 119.89 3gas h LYS 62 Ca -0.29 -0.00 -0.66 0.00 -2.18 0.00 0.00 60.65 57.53 3gas h LYS 62 Cb 1.09 0.00 -0.27 0.00 -1.58 0.00 0.00 32.23 31.47 3gas h LYS 62 CO 1.06 0.50 -0.71 0.34 -1.08 0.00 0.00 179.45 179.56 3gas s ASP 63 N -6.89 4.42 0.66 0.86 -1.08 -1.26 -4.98 116.67 108.40 3gas s ASP 63 Ca -0.02 -0.36 0.33 0.00 -0.52 0.00 0.00 52.55 51.98 3gas s ASP 63 Cb 0.14 -1.76 1.81 0.00 -1.46 0.00 0.00 42.92 41.64 3gas s ASP 63 CO 0.74 -0.01 2.03 -0.65 0.52 0.00 0.00 175.17 177.80 3gas h PRO 64 N 8.07 0.00 0.00 4.34 0.11 -2.02 0.15 132.00 142.65 3gas h PRO 64 Ca -0.41 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.70 3gas h PRO 64 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3gas h PRO 64 CO 0.60 0.00 -0.00 0.87 -0.21 0.00 0.00 178.00 179.26 3gas h LYS 65 N 0.00 0.00 -0.11 1.05 1.57 -1.97 -2.41 116.57 114.70 3gas h LYS 65 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3gas h LYS 65 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3gas h LYS 65 CO -0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 3gas n ASP 66 N -3.09 3.04 -0.09 0.86 8.00 0.52 -4.56 116.55 121.23 3gas n ASP 66 Ca -0.02 -1.97 -0.08 0.00 0.71 0.00 0.00 54.79 53.44 3gas n ASP 66 Cb 0.15 -0.06 -0.00 0.00 -0.02 0.00 0.00 41.12 41.19 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 4.48 0.28 -0.35 1.24 -1.99 -1.53 -1.27 116.97 117.82 3gas h TYR 67 Ca 0.00 0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.76 3gas h TYR 67 Cb 0.96 -0.08 -0.03 0.00 2.00 0.00 0.00 36.73 39.59 3gas h TYR 67 CO 0.06 0.15 0.19 -0.22 -0.00 0.00 0.00 178.16 178.34 3gas h LYS 68 N 0.32 0.38 -0.57 4.88 3.64 -1.80 -0.32 116.57 123.09 3gas h LYS 68 Ca 0.13 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 3gas h LYS 68 Cb 0.06 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 3gas h LYS 68 CO -0.10 0.25 0.12 -0.91 -2.27 0.00 0.00 179.45 176.54 3gas h ASN 69 N 0.39 0.88 -0.89 4.20 2.35 -1.82 0.11 115.58 120.80 3gas h ASN 69 Ca 0.15 -0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 3gas h ASN 69 Cb 0.03 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.13 3gas h ASN 69 CO -0.09 0.90 0.56 0.00 -1.65 0.00 0.00 177.43 177.15 3gas h ALA 70 N 1.01 1.30 -0.26 -0.83 0.00 -0.94 0.33 119.26 119.87 3gas h ALA 70 Ca 0.18 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3gas h ALA 70 Cb 0.38 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3gas h ALA 70 CO 0.01 0.62 -0.21 1.15 0.00 0.00 0.00 179.25 180.81 3gas h THR 71 N 1.23 1.31 -0.61 0.00 2.02 -0.70 -1.77 112.91 114.38 3gas h THR 71 Ca 0.32 -1.35 -0.07 0.00 0.77 0.00 0.00 66.41 66.08 3gas h THR 71 Cb -0.09 1.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 3gas h THR 71 CO -0.06 0.43 0.10 0.40 0.37 0.00 0.00 175.52 176.75 3gas h ILE 72 N 0.33 1.25 -0.44 3.11 2.04 -0.24 -0.73 117.51 122.83 3gas h ILE 72 Ca 0.05 -0.99 -0.00 0.00 1.00 0.00 0.00 64.86 64.92 3gas h ILE 72 Cb 0.76 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 3gas h ILE 72 CO 0.05 0.37 0.27 -0.08 0.00 0.00 0.00 178.15 178.76 3gas h GLU 73 N 0.94 0.59 -0.36 2.37 4.81 -0.24 0.13 114.58 122.81 3gas h GLU 73 Ca 0.19 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3gas h GLU 73 Cb 0.41 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 3gas h GLU 73 CO 0.01 0.42 0.17 1.25 -0.73 0.00 0.00 179.01 180.14 3gas h LEU 74 N 0.58 0.47 -0.33 1.64 5.85 -1.01 -1.01 115.31 121.50 3gas h LEU 74 Ca 0.16 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.77 3gas h LEU 74 Cb -0.02 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 3gas h LEU 74 CO -0.03 0.47 0.18 0.00 -0.34 0.00 0.00 178.44 178.71 3gas h GLN 76 N 0.37 0.00 0.00 0.00 4.20 -0.56 -3.06 115.11 116.06 3gas h GLN 76 Ca 0.14 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.80 3gas h GLN 76 Cb 0.03 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 3gas h GLN 76 CO -0.08 0.00 -0.21 0.66 -0.67 0.00 0.00 178.83 178.53 3gas h SER 77 N 0.00 0.00 0.03 1.46 4.64 -0.61 -1.96 113.55 117.11 3gas h SER 77 Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 3gas h SER 77 Cb 0.42 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.48 3gas h SER 77 CO 0.00 0.21 -0.17 0.58 -0.87 0.00 0.00 176.83 176.58 3gas h VAL 78 N 0.00 0.60 0.06 0.95 2.07 -1.65 -0.76 116.25 117.52 3gas h VAL 78 Ca -0.00 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.26 3gas h VAL 78 Cb 0.42 0.60 0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3gas h VAL 78 CO 0.03 0.00 -1.08 -0.33 0.02 0.00 0.00 177.57 176.20 3gas h GLU 79 N -0.29 0.44 0.00 1.57 4.39 -1.76 -3.26 114.58 115.66 3gas h GLU 79 Ca 0.04 -0.55 -0.01 0.00 0.34 0.00 0.00 59.36 59.18 3gas h GLU 79 Cb 0.34 0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.17 3gas h GLU 79 CO -0.14 1.20 -0.05 0.87 -1.16 0.00 0.00 179.01 179.74 3gas h LYS 80 N 0.21 0.00 -0.54 2.33 1.57 -1.18 -1.09 116.57 117.88 3gas h LYS 80 Ca -0.12 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.77 3gas h LYS 80 Cb 1.75 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.03 3gas h LYS 80 CO 0.19 0.05 0.37 1.15 -0.57 0.00 0.00 179.45 180.64 3gas h THR 81 N 0.00 0.85 0.00 -0.16 2.02 -1.18 -2.15 112.91 112.29 3gas h THR 81 Ca -0.00 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3gas h THR 81 Cb 0.11 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3gas h THR 81 CO 0.01 0.05 0.00 1.41 0.37 0.00 0.00 175.52 177.35 3gas n HIS 82 N -4.45 0.00 -2.29 3.16 8.25 -0.41 -4.69 115.22 114.79 3gas n HIS 82 Ca 0.09 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.21 3gas n HIS 82 Cb 0.43 -0.48 -0.04 0.00 1.12 0.00 0.00 29.99 31.02 3gas n HIS 82 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3gas s ASP 83 N -2.95 5.79 0.32 0.41 -1.08 -0.81 -4.79 116.67 113.56 3gas s ASP 83 Ca 0.15 -1.13 0.11 0.00 -0.52 0.00 0.00 52.55 51.16 3gas s ASP 83 Cb 0.19 -2.57 0.55 0.00 -1.46 0.00 0.00 42.92 39.63 3gas s ASP 83 CO 0.51 -2.16 1.73 -0.07 0.52 0.00 0.00 175.17 175.69 3gas h LEU 84 N 15.47 0.04 -0.59 -1.34 3.38 -1.88 -1.58 115.31 128.81 3gas h LEU 84 Ca 0.16 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 3gas h LEU 84 Cb 1.00 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 3gas h LEU 84 CO 1.32 0.50 -0.05 0.11 0.09 0.00 0.00 178.44 180.41 3gas h LYS 85 N 0.03 1.06 -0.55 1.13 1.79 -1.99 0.75 116.57 118.79 3gas h LYS 85 Ca -0.00 -0.36 -0.09 0.00 -2.18 0.00 0.00 60.65 58.02 3gas h LYS 85 Cb 0.83 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.38 3gas h LYS 85 CO 0.06 1.06 0.01 0.78 -1.08 0.00 0.00 179.45 180.29 3gas h GLY 86 N 0.96 1.04 1.00 3.86 0.00 -1.88 -2.26 103.07 105.79 3gas h GLY 86 Ca 0.16 -0.76 -0.04 0.00 0.00 0.00 0.00 47.33 46.69 3gas h GLY 86 CO 0.04 0.70 0.21 -2.08 0.00 0.00 0.00 176.54 175.41 3gas h VAL 87 N 0.84 1.23 -0.60 4.60 2.07 -0.98 -0.06 116.25 123.35 3gas h VAL 87 Ca 0.16 -0.76 0.09 0.00 0.82 0.00 0.00 66.70 67.00 3gas h VAL 87 Cb 0.52 0.62 -0.07 0.00 -1.52 0.00 0.00 31.29 30.85 3gas h VAL 87 CO 0.03 0.29 0.25 -0.08 0.02 0.00 0.00 177.57 178.08 3gas h GLU 88 N 0.82 0.44 -0.43 1.57 4.81 -0.70 0.15 114.58 121.23 3gas h GLU 88 Ca 0.19 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 3gas h GLU 88 Cb 0.24 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 3gas h GLU 88 CO -0.01 0.29 0.19 0.93 -0.73 0.00 0.00 179.01 179.68 3gas h GLU 89 N 0.45 0.63 -0.76 1.92 5.08 -0.90 -2.45 114.58 118.55 3gas h GLU 89 Ca 0.30 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.51 3gas h GLU 89 Cb 0.33 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 3gas h GLU 89 CO -0.28 0.56 0.31 0.93 -1.00 0.00 0.00 179.01 179.54 3gas h GLU 90 N 0.56 1.13 -0.46 2.33 5.08 -0.03 -1.48 114.58 121.70 3gas h GLU 90 Ca 0.15 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 3gas h GLU 90 Cb 0.15 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3gas h GLU 90 CO -0.02 0.91 0.16 0.28 -1.00 0.00 0.00 179.01 179.34 3gas h VAL 91 N 1.11 1.22 -0.32 3.13 2.07 -0.60 0.33 116.25 123.18 3gas h VAL 91 Ca 0.26 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 3gas h VAL 91 Cb 0.19 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3gas h VAL 91 CO -0.02 0.26 0.11 0.50 0.02 0.00 0.00 177.57 178.44 3gas h LYS 92 N 0.61 0.49 -0.31 1.57 3.64 -1.23 -2.29 116.57 119.04 3gas h LYS 92 Ca 0.15 -0.10 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 3gas h LYS 92 Cb 0.24 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 3gas h LYS 92 CO -0.01 0.51 -0.16 0.00 -2.27 0.00 0.00 179.45 177.52 3gas h ALA 93 N 0.96 1.14 -0.18 5.00 0.00 -1.08 -2.54 119.26 122.55 3gas h ALA 93 Ca 0.10 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3gas h ALA 93 Cb 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3gas h ALA 93 CO -0.01 0.54 0.11 0.35 0.00 0.00 0.00 179.25 180.25 3gas h PHE 94 N 0.50 0.24 -0.31 0.00 3.57 -0.01 -2.77 116.94 118.16 3gas h PHE 94 Ca 0.09 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 3gas h PHE 94 Cb 0.58 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 3gas h PHE 94 CO 0.02 0.18 -0.05 0.87 -2.23 0.00 0.00 178.31 177.10 3gas h LYS 95 N 0.22 0.50 0.00 1.11 1.57 -1.27 -2.19 116.57 116.51 3gas h LYS 95 Ca 0.07 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3gas h LYS 95 Cb 0.01 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3gas h LYS 95 CO -0.01 0.56 0.00 0.39 -0.57 0.00 0.00 179.45 179.82 3gas n GLU 96 N -4.25 0.16 -0.10 3.15 1.02 -0.97 -2.82 120.64 116.84 3gas n GLU 96 Ca 0.01 0.40 0.09 0.00 -0.02 0.00 0.00 57.16 57.64 3gas n GLU 96 Cb 0.27 -1.81 0.32 0.00 -0.02 0.00 0.00 31.44 30.19 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 -0.02 0.20 3.34 0.62 0.00 -0.82 -4.89 105.19 103.62 3gas n GLY 97 Ca 0.02 -0.36 -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 -1.75 2.02 -0.08 1.61 0.40 -1.13 -5.02 117.98 114.04 3gas s PHE 98 Ca 0.28 -0.40 0.11 0.00 -0.60 0.00 0.00 56.93 56.32 3gas s PHE 98 Cb 0.15 -1.08 0.17 0.00 0.51 0.00 0.00 43.02 42.77 3gas s PHE 98 CO 0.22 0.29 1.08 -0.25 0.70 0.00 0.00 175.22 177.26 3gas n ASP 99 N 0.86 2.10 -3.46 1.36 8.00 -1.26 -4.93 116.55 119.21 3gas n ASP 99 Ca -0.18 -2.62 -0.11 0.00 0.71 0.00 0.00 54.79 52.60 3gas n ASP 99 Cb 0.54 -0.26 -0.02 0.00 -0.02 0.00 0.00 41.12 41.36 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 -2.08 -0.48 0.10 -2.24 1.04 -1.26 -0.89 113.70 107.89 3gas s SER 100 Ca 0.19 0.03 -0.02 0.00 0.48 0.00 0.00 55.95 56.62 3gas s SER 100 Cb 0.16 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.75 3gas s SER 100 CO 0.02 -0.79 0.05 0.68 0.98 0.00 0.00 173.24 174.18 3gas s VAL 101 N -3.34 0.15 0.23 5.02 -7.23 -0.06 -4.78 120.40 110.38 3gas s VAL 101 Ca 0.02 -1.76 -0.05 0.00 -1.81 0.00 0.00 61.98 58.38 3gas s VAL 101 Cb -0.01 -1.76 -0.06 0.00 0.56 0.00 0.00 36.38 35.11 3gas s VAL 101 CO -0.10 -0.68 0.49 0.00 -0.31 0.00 0.00 175.10 174.50 3gas s LEU 103 N -3.16 2.22 -0.09 0.00 1.43 0.44 -4.43 118.68 115.09 3gas s LEU 103 Ca 0.43 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 53.09 3gas s LEU 103 Cb -0.11 -0.15 0.00 0.00 0.03 0.00 0.00 46.19 45.96 3gas s LEU 103 CO 0.27 -0.17 -0.21 0.00 0.23 0.00 0.00 176.35 176.46 3gas s ALA 104 N -1.20 1.96 0.21 4.21 0.00 -0.46 -1.44 121.76 125.04 3gas s ALA 104 Ca -0.09 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.06 3gas s ALA 104 Cb -0.09 -0.74 -0.05 0.00 0.00 0.00 0.00 23.12 22.24 3gas s ALA 104 CO 0.00 0.26 0.00 0.95 0.00 0.00 0.00 175.76 176.97 3gas s THR 105 N 0.38 0.88 -0.32 0.00 -4.23 -0.44 -1.91 115.64 110.00 3gas s THR 105 Ca -0.17 -2.01 -0.04 0.00 -1.18 0.00 0.00 61.69 58.29 3gas s THR 105 Cb -0.17 -2.26 0.05 0.00 1.34 0.00 0.00 72.50 71.46 3gas s THR 105 CO 0.07 -0.38 0.04 -0.22 -0.54 0.00 0.00 174.62 173.60 3gas s LEU 106 N -3.25 4.07 0.48 4.79 2.96 -1.25 -0.87 118.68 125.60 3gas s LEU 106 Ca 0.27 -1.22 -0.22 0.00 -0.22 0.00 0.00 54.13 52.74 3gas s LEU 106 Cb 0.06 -1.77 -0.07 0.00 0.50 0.00 0.00 46.19 44.90 3gas s LEU 106 CO 0.07 -0.29 1.12 -2.28 -1.32 0.00 0.00 176.35 173.65 3gas s HIS 107 N 1.31 2.89 0.59 5.38 5.65 -0.50 -4.09 115.29 126.51 3gas s HIS 107 Ca -0.04 1.56 0.29 0.00 0.25 0.00 0.00 55.06 57.12 3gas s HIS 107 Cb -0.20 -3.28 1.65 0.00 -1.18 0.00 0.00 32.58 29.57 3gas s HIS 107 CO 0.00 -1.31 2.09 -1.35 -0.65 0.00 0.00 174.74 173.52 3gas h PRO 108 N 1.80 0.00 0.00 2.88 0.11 -1.88 0.45 132.00 135.37 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 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3gas h PRO 108 CO 0.59 0.00 0.00 -0.91 -0.21 0.00 0.00 178.00 177.47 3gas h ASN 109 N 0.00 0.00 0.00 -2.05 -0.26 -1.98 -3.46 115.58 107.82 3gas h ASN 109 Ca 0.09 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.83 3gas h ASN 109 Cb 0.52 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.78 3gas h ASN 109 CO -0.00 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 176.98 3gas n GLY 110 N -0.24 1.79 3.89 2.83 0.00 0.15 -5.11 105.19 108.50 3gas n GLY 110 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3gas n GLY 110 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3gas s HIS 111 N -2.14 3.46 0.53 1.61 -3.43 -1.26 -4.83 115.29 109.23 3gas s HIS 111 Ca 0.00 0.74 -0.10 0.00 -0.80 0.00 0.00 55.06 54.90 3gas s HIS 111 Cb 0.00 -2.17 -0.05 0.00 -1.43 0.00 0.00 32.58 28.93 3gas s HIS 111 CO 0.00 0.20 0.91 0.14 -2.00 0.00 0.00 174.74 173.99 3gas s VAL 112 N -1.99 4.74 -0.05 -5.38 -7.23 -1.26 -1.41 120.40 107.82 3gas s VAL 112 Ca 0.45 0.72 0.02 0.00 -1.81 0.00 0.00 61.98 61.36 3gas s VAL 112 Cb -0.11 -3.82 0.01 0.00 0.56 0.00 0.00 36.38 33.03 3gas s VAL 112 CO 0.27 -0.88 -0.09 -0.69 -0.31 0.00 0.00 175.10 173.40 3gas s VAL 113 N -2.82 0.90 -0.24 1.32 1.01 -0.05 -4.88 120.40 115.63 3gas s VAL 113 Ca 0.53 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 62.12 3gas s VAL 113 Cb -0.10 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.44 3gas s VAL 113 CO 0.44 0.30 -0.03 0.00 0.00 0.00 0.00 175.10 175.81 3gas n SER 115 N 4.77 0.00 -3.89 0.00 3.41 -0.52 -4.99 113.62 112.40 3gas n SER 115 Ca -0.17 -0.92 -0.10 0.00 -0.26 0.00 0.00 58.87 57.42 3gas n SER 115 Cb 0.49 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.35 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 -4.29 0.14 0.02 7.33 -0.85 -1.26 -0.42 117.35 118.02 3gas s TYR 116 Ca 0.00 -0.42 -0.09 0.00 -0.52 0.00 0.00 57.07 56.04 3gas s TYR 116 Cb 0.00 -0.09 0.00 0.00 0.38 0.00 0.00 41.96 42.25 3gas s TYR 116 CO 0.00 -0.41 0.18 0.00 -1.52 0.00 0.00 175.55 173.80 3gas s ALA 117 N -2.70 -0.36 0.45 9.51 0.00 -0.14 -4.95 121.76 123.57 3gas s ALA 117 Ca -0.04 -0.20 -0.25 0.00 0.00 0.00 0.00 51.96 51.48 3gas s ALA 117 Cb -0.01 0.20 -0.08 0.00 0.00 0.00 0.00 23.12 23.23 3gas s ALA 117 CO -0.05 -0.29 1.35 -2.14 0.00 0.00 0.00 175.76 174.63 3gas s PRO 118 N -2.02 3.69 0.34 0.00 0.02 -1.26 -0.88 135.00 134.89 3gas s PRO 118 Ca -0.09 2.24 0.09 0.00 0.02 0.00 0.00 61.00 63.26 3gas s PRO 118 Cb -0.04 -2.60 -0.05 0.00 0.02 0.00 0.00 34.50 31.83 3gas s PRO 118 CO -0.01 -0.75 0.06 -1.17 -0.33 0.00 0.00 177.00 174.80 3gas s LEU 119 N -2.79 3.09 0.00 -5.54 2.96 -0.07 -2.57 118.68 113.76 3gas s LEU 119 Ca 0.62 -0.91 0.00 0.00 -0.22 0.00 0.00 54.13 53.61 3gas s LEU 119 Cb -0.40 -1.49 0.00 0.00 0.50 0.00 0.00 46.19 44.80 3gas s LEU 119 CO 0.50 -0.27 0.00 -1.54 -1.32 0.00 0.00 176.35 173.73 3gas n SER 121 N -1.03 0.00 -3.58 3.68 3.41 -1.26 -4.55 113.62 110.29 3gas n SER 121 Ca -0.04 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.28 3gas n SER 121 Cb 0.62 0.00 -0.13 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 3.32 1.83 4.04 2.15 -0.20 -4.51 116.67 123.30 3gas s ASP 122 Ca 0.00 -2.28 0.00 0.00 0.43 0.00 0.00 52.55 50.70 3gas s ASP 122 Cb 0.00 -0.67 0.00 0.00 -0.30 0.00 0.00 42.92 41.95 3gas s ASP 122 CO 0.00 -0.31 0.00 0.61 -0.17 0.00 0.00 175.17 175.30 3gas n GLY 123 N 3.95 3.82 0.16 2.66 0.00 -1.26 -1.86 105.19 112.67 3gas n GLY 123 Ca 0.09 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.24 3gas n GLY 123 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gas h LYS 124 N 0.00 0.00 -5.87 1.61 6.56 -2.05 -3.44 116.57 113.38 3gas h LYS 124 Ca 0.00 0.00 -0.59 0.00 -1.06 0.00 0.00 60.65 59.00 3gas h LYS 124 Cb 0.00 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 31.58 3gas h LYS 124 CO 0.00 0.00 0.45 -1.14 -2.06 0.00 0.00 179.45 176.70 3gas s GLN 125 N -3.27 4.24 0.14 3.15 2.00 -0.78 -5.05 119.66 120.08 3gas s GLN 125 Ca 0.07 1.00 0.03 0.00 -2.00 0.00 0.00 55.36 54.45 3gas s GLN 125 Cb 0.09 -3.61 -0.04 0.00 0.80 0.00 0.00 33.01 30.25 3gas s GLN 125 CO 0.55 -0.44 0.21 0.71 -0.50 0.00 0.00 175.29 175.81 3gas s TYR 126 N 2.56 3.35 0.09 1.67 1.51 -1.26 -1.03 117.35 124.24 3gas s TYR 126 Ca 0.37 0.09 -0.06 0.00 -1.01 0.00 0.00 57.07 56.45 3gas s TYR 126 Cb -0.16 -1.62 -0.02 0.00 -0.11 0.00 0.00 41.96 40.05 3gas s TYR 126 CO 0.09 0.53 0.14 0.71 -1.11 0.00 0.00 175.55 175.91 3gas s TYR 127 N -1.68 0.33 0.30 2.71 2.02 -1.26 -1.13 117.35 118.63 3gas s TYR 127 Ca 0.33 -0.78 0.09 0.00 -0.37 0.00 0.00 57.07 56.33 3gas s TYR 127 Cb -0.11 -0.18 -0.06 0.00 -0.40 0.00 0.00 41.96 41.22 3gas s TYR 127 CO 0.26 -0.52 -0.11 0.96 -1.57 0.00 0.00 175.55 174.57 3gas s ILE 128 N -3.91 2.03 -0.13 2.71 -4.36 -0.11 -4.40 121.20 113.04 3gas s ILE 128 Ca 0.09 -2.22 -0.01 0.00 -0.26 0.00 0.00 60.65 58.25 3gas s ILE 128 Cb 0.06 -2.45 0.04 0.00 1.25 0.00 0.00 42.46 41.35 3gas s ILE 128 CO -0.08 -0.31 -0.03 -0.47 0.24 0.00 0.00 174.94 174.29 3gas s TYR 129 N -2.76 1.23 0.08 1.37 5.04 -1.06 -0.66 117.35 120.60 3gas s TYR 129 Ca 0.30 -0.69 -0.01 0.00 -2.44 0.00 0.00 57.07 54.23 3gas s TYR 129 Cb 0.01 -1.10 -0.04 0.00 0.35 0.00 0.00 41.96 41.18 3gas s TYR 129 CO 0.14 -0.51 -0.01 0.14 -1.34 0.00 0.00 175.55 173.97 3gas s VAL 130 N 1.79 0.27 0.07 3.14 -7.23 -0.77 -4.22 120.40 113.46 3gas s VAL 130 Ca 0.03 -1.86 0.04 0.00 -1.81 0.00 0.00 61.98 58.38 3gas s VAL 130 Cb -0.14 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.07 3gas s VAL 130 CO -0.07 -0.83 0.02 -0.55 -0.31 0.00 0.00 175.10 173.36 3gas s SER 131 N -2.98 5.17 0.31 4.85 0.15 -1.26 0.05 113.70 120.00 3gas s SER 131 Ca 0.12 -0.11 0.23 0.00 0.70 0.00 0.00 55.95 56.90 3gas s SER 131 Cb 0.07 -1.29 1.14 0.00 -1.71 0.00 0.00 66.02 64.23 3gas s SER 131 CO -0.06 0.19 1.71 -0.62 1.20 0.00 0.00 173.24 175.66 3gas n GLU 132 N 0.66 0.17 0.09 5.44 1.02 -0.10 -1.58 120.64 126.34 3gas n GLU 132 Ca -0.11 0.56 0.13 0.00 -0.02 0.00 0.00 57.16 57.73 3gas n GLU 132 Cb 0.52 -1.95 0.44 0.00 -0.02 0.00 0.00 31.44 30.44 3gas n GLU 132 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3gas n VAL 133 N -2.29 0.48 -3.54 2.62 0.24 -1.26 -4.84 118.33 109.74 3gas n VAL 133 Ca -0.00 -0.23 -0.34 0.00 -2.04 0.00 0.00 64.34 61.73 3gas n VAL 133 Cb 0.11 -0.57 -0.05 0.00 -1.47 0.00 0.00 33.84 31.86 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 -3.08 3.69 0.47 2.33 0.00 -0.61 -4.99 121.76 119.57 3gas s ALA 134 Ca 0.11 -0.37 0.16 0.00 0.00 0.00 0.00 51.96 51.86 3gas s ALA 134 Cb 0.14 -2.30 1.14 0.00 0.00 0.00 0.00 23.12 22.10 3gas s ALA 134 CO 0.58 0.56 2.04 1.49 0.00 0.00 0.00 175.76 180.44 3gas h GLU 135 N 3.32 0.23 0.00 0.00 4.81 -1.88 -1.85 114.58 119.20 3gas h GLU 135 Ca -0.48 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3gas h GLU 135 Cb 1.18 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3gas h GLU 135 CO 0.68 0.15 0.00 1.12 -0.73 0.00 0.00 179.01 180.23 3gas h HIS 136 N 0.24 0.00 -0.63 0.92 2.07 -1.94 -3.18 115.15 112.63 3gas h HIS 136 Ca 0.17 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.68 3gas h HIS 136 Cb 0.39 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.34 3gas h HIS 136 CO -0.00 0.00 0.35 0.35 -3.07 0.00 0.00 177.93 175.56 3gas h PHE 137 N 0.00 0.85 -0.72 6.12 3.57 -1.56 -1.37 116.94 123.83 3gas h PHE 137 Ca 0.00 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 3gas h PHE 137 Cb 0.45 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.88 3gas h PHE 137 CO 0.00 0.61 0.43 0.00 -2.23 0.00 0.00 178.31 177.12 3gas h ALA 138 N 1.17 1.41 -0.16 2.41 0.00 -1.73 0.48 119.26 122.83 3gas h ALA 138 Ca 0.22 -0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.85 3gas h ALA 138 Cb 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3gas h ALA 138 CO -0.04 0.51 -0.71 0.78 0.00 0.00 0.00 179.25 179.80 3gas h GLY 139 N 1.02 0.74 1.87 0.00 0.00 -1.64 0.44 103.07 105.51 3gas h GLY 139 Ca 0.26 -1.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.51 3gas h GLY 139 CO -0.05 0.89 -0.29 1.41 0.00 0.00 0.00 176.54 178.51 3gas h LEU 140 N 0.48 0.15 0.16 3.11 3.38 -0.55 0.16 115.31 122.19 3gas h LEU 140 Ca -0.03 -0.04 -0.29 0.00 0.09 0.00 0.00 57.88 57.61 3gas h LEU 140 Cb 1.31 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 42.03 3gas h LEU 140 CO 0.14 0.44 -1.39 0.50 0.09 0.00 0.00 178.44 178.22 3gas h LYS 141 N 0.14 0.34 0.00 1.13 3.64 -0.79 -3.25 116.57 117.78 3gas h LYS 141 Ca 0.02 -0.58 -0.17 0.00 -1.27 0.00 0.00 60.65 58.65 3gas h LYS 141 Cb 0.58 0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.59 3gas h LYS 141 CO 0.04 1.28 -1.45 0.09 -2.27 0.00 0.00 179.45 177.14 3gas n ASN 142 N -3.85 0.82 -2.83 4.20 4.13 0.13 -4.35 115.26 113.51 3gas n ASN 142 Ca -0.21 0.36 -0.22 0.00 1.68 0.00 0.00 54.58 56.19 3gas n ASN 142 Cb 0.96 0.21 -0.02 0.00 -1.54 0.00 0.00 39.78 39.40 3gas n ASN 142 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3gas n ASN 143 N -2.87 3.14 0.31 6.41 3.02 0.57 -4.93 115.26 120.90 3gas n ASN 143 Ca -0.10 -3.36 0.19 0.00 -0.03 0.00 0.00 54.58 51.28 3gas n ASN 143 Cb 0.84 -0.54 1.04 0.00 -0.61 0.00 0.00 39.78 40.51 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 2.89 0.00 -0.30 3.52 0.13 -1.59 -1.51 132.00 135.13 3gas h PRO 144 Ca 0.12 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.21 3gas h PRO 144 Cb 0.84 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.94 3gas h PRO 144 CO 0.70 0.00 0.01 0.72 -0.23 0.00 0.00 178.00 179.19 3gas n HIS 145 N -2.91 1.06 -3.48 1.56 8.25 -1.26 -0.83 115.22 117.61 3gas n HIS 145 Ca -0.03 -1.01 -0.27 0.00 -0.26 0.00 0.00 57.72 56.16 3gas n HIS 145 Cb 0.14 -0.37 -0.10 0.00 1.12 0.00 0.00 29.99 30.79 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 -0.59 1.04 -3.90 0.41 2.85 -0.57 -4.84 115.26 109.68 3gas n ASN 146 Ca 0.24 -2.78 -0.11 0.00 -0.11 0.00 0.00 54.58 51.83 3gas n ASN 146 Cb 0.95 -0.64 -0.11 0.00 1.24 0.00 0.00 39.78 41.22 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 -0.90 0.06 -0.04 3.44 1.01 -1.23 -3.90 120.40 118.84 3gas s VAL 147 Ca 0.32 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.82 3gas s VAL 147 Cb 0.06 -0.27 0.01 0.00 0.00 0.00 0.00 36.38 36.18 3gas s VAL 147 CO -0.15 -0.28 -0.11 -0.70 0.00 0.00 0.00 175.10 173.86 3gas s GLU 148 N -0.89 1.32 0.24 2.72 2.12 -0.80 -0.58 118.70 122.82 3gas s GLU 148 Ca -0.10 -0.36 0.02 0.00 0.36 0.00 0.00 54.97 54.89 3gas s GLU 148 Cb -0.06 -1.16 0.02 0.00 0.26 0.00 0.00 34.13 33.20 3gas s GLU 148 CO 0.00 0.08 0.20 0.28 -0.54 0.00 0.00 175.26 175.28 3gas n VAL 149 N 3.53 0.00 -3.46 3.70 0.31 -0.65 -1.36 118.33 120.41 3gas n VAL 149 Ca -0.21 -0.94 -0.04 0.00 -0.01 0.00 0.00 64.34 63.14 3gas n VAL 149 Cb 0.53 -0.34 -0.06 0.00 -0.91 0.00 0.00 33.84 33.05 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 -1.12 -1.09 -0.13 3.52 0.08 0.59 -0.89 117.98 118.93 3gas s PHE 151 Ca 0.15 1.53 0.03 0.00 0.12 0.00 0.00 56.93 58.76 3gas s PHE 151 Cb -0.01 0.38 0.01 0.00 -0.57 0.00 0.00 43.02 42.83 3gas s PHE 151 CO 0.09 -0.67 -0.22 -1.17 -0.10 0.00 0.00 175.22 173.15 3gas s LEU 152 N 2.71 2.15 0.40 -0.37 2.96 -1.26 -1.02 118.68 124.24 3gas s LEU 152 Ca 0.07 -0.58 -0.27 0.00 -0.22 0.00 0.00 54.13 53.13 3gas s LEU 152 Cb -0.14 -1.45 -0.09 0.00 0.50 0.00 0.00 46.19 45.01 3gas s LEU 152 CO -0.17 0.10 1.41 -0.70 -1.32 0.00 0.00 176.35 175.67 3gas s GLU 153 N 0.70 3.97 0.34 1.98 2.12 -0.04 -4.92 118.70 122.84 3gas s GLU 153 Ca -0.10 2.39 -0.29 0.00 0.36 0.00 0.00 54.97 57.34 3gas s GLU 153 Cb -0.16 -2.83 -0.12 0.00 0.26 0.00 0.00 34.13 31.28 3gas s GLU 153 CO 0.01 -0.58 1.47 -0.25 -0.54 0.00 0.00 175.26 175.37 3gas n ASP 154 N 0.21 3.52 -0.20 -1.70 8.00 -1.26 -4.76 116.55 120.36 3gas n ASP 154 Ca 0.03 1.20 0.06 0.00 0.71 0.00 0.00 54.79 56.78 3gas n ASP 154 Cb 0.41 -1.57 0.33 0.00 -0.02 0.00 0.00 41.12 40.27 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 3.48 0.78 0.00 -1.24 4.81 -1.96 -0.91 114.58 119.54 3gas h GLU 155 Ca -0.48 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3gas h GLU 155 Cb 1.25 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3gas h GLU 155 CO 0.69 0.52 0.00 -1.13 -0.73 0.00 0.00 179.01 178.36 3gas n SER 156 N -4.48 0.00 -0.00 1.04 3.41 -1.26 -2.79 113.62 109.54 3gas n SER 156 Ca 0.11 0.46 0.07 0.00 -0.26 0.00 0.00 58.87 59.25 3gas n SER 156 Cb 0.21 -0.48 -0.09 0.00 -0.26 0.00 0.00 64.21 63.58 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 -1.48 1.36 -1.47 4.33 5.02 -0.43 -5.04 118.16 120.44 3gas n LYS 157 Ca 0.05 -0.07 -0.31 0.00 -2.02 0.00 0.00 58.31 55.97 3gas n LYS 157 Cb 0.24 -1.25 0.08 0.00 -0.02 0.00 0.00 35.03 34.08 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 -2.66 2.40 0.26 7.82 0.00 -0.68 -4.96 121.76 123.94 3gas s ALA 158 Ca -0.01 0.05 -0.05 0.00 0.00 0.00 0.00 51.96 51.95 3gas s ALA 158 Cb 0.10 -3.18 0.30 0.00 0.00 0.00 0.00 23.12 20.34 3gas s ALA 158 CO 0.57 -1.55 1.92 0.87 0.00 0.00 0.00 175.76 177.57 3gas h LYS 159 N -0.96 1.24 -2.52 0.00 1.79 -1.87 -3.47 116.57 110.78 3gas h LYS 159 Ca -0.45 -0.09 0.15 0.00 -2.18 0.00 0.00 60.65 58.07 3gas h LYS 159 Cb 1.23 -0.27 -0.04 0.00 -1.58 0.00 0.00 32.23 31.57 3gas h LYS 159 CO 0.56 0.84 0.52 -1.54 -1.08 0.00 0.00 179.45 178.75 3gas s SER 160 N -6.21 -0.05 0.43 0.86 1.04 -1.25 -4.70 113.70 103.82 3gas s SER 160 Ca -0.12 -0.65 0.19 0.00 0.48 0.00 0.00 55.95 55.85 3gas s SER 160 Cb 0.18 0.54 1.00 0.00 0.10 0.00 0.00 66.02 67.83 3gas s SER 160 CO 0.81 -1.04 1.92 0.00 0.98 0.00 0.00 173.24 175.91 3gas h ALA 161 N 2.00 1.34 -0.02 5.32 0.00 -1.90 -2.48 119.26 123.52 3gas h ALA 161 Ca -0.27 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3gas h ALA 161 Cb 1.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3gas h ALA 161 CO 0.33 0.32 -0.07 0.44 0.00 0.00 0.00 179.25 180.27 3gas n ILE 162 N -3.89 0.00 -3.21 0.00 -5.35 -1.26 -4.41 119.36 101.24 3gas n ILE 162 Ca -0.02 -0.29 -0.23 0.00 -0.27 0.00 0.00 62.75 61.94 3gas n ILE 162 Cb 0.34 0.77 -0.06 0.00 -1.74 0.00 0.00 39.64 38.95 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 0.31 1.06 -4.70 7.28 7.94 -0.93 -5.06 117.00 122.90 3gas n LEU 163 Ca 0.16 -4.93 -0.38 0.00 -1.11 0.00 0.00 56.01 49.75 3gas n LEU 163 Cb 0.42 0.41 -0.06 0.00 0.53 0.00 0.00 43.42 44.72 3gas n LEU 163 CO 0.18 2.14 0.18 -0.13 -1.11 0.00 0.00 177.39 178.65 3gas s ARG 164 N -1.79 4.27 0.42 1.96 0.52 -1.24 -3.58 118.95 119.51 3gas s ARG 164 Ca 0.38 0.39 -0.26 0.00 -0.52 0.00 0.00 55.73 55.73 3gas s ARG 164 Cb 0.22 -3.49 -0.08 0.00 0.52 0.00 0.00 34.95 32.12 3gas s ARG 164 CO -0.09 0.04 1.32 0.15 0.02 0.00 0.00 175.30 176.74 3gas s LYS 165 N 1.02 3.87 -0.02 3.54 1.02 -1.26 -4.78 119.74 123.13 3gas s LYS 165 Ca 0.24 2.18 -0.16 0.00 0.02 0.00 0.00 55.97 58.25 3gas s LYS 165 Cb -0.15 -2.70 0.03 0.00 -0.52 0.00 0.00 37.83 34.49 3gas s LYS 165 CO 0.09 -0.58 0.35 -0.98 -0.92 0.00 0.00 175.35 173.32 3gas s ARG 166 N -2.33 0.70 -0.11 1.68 1.70 -0.90 -0.86 118.95 118.84 3gas s ARG 166 Ca 0.58 -0.13 -0.01 0.00 -0.47 0.00 0.00 55.73 55.71 3gas s ARG 166 Cb -0.39 0.32 0.03 0.00 -0.57 0.00 0.00 34.95 34.34 3gas s ARG 166 CO 0.49 -0.20 -0.02 -1.17 -1.08 0.00 0.00 175.30 173.33 3gas s LEU 167 N -1.28 0.90 -0.04 -1.89 2.96 -0.19 -0.94 118.68 118.20 3gas s LEU 167 Ca -0.13 -0.29 0.07 0.00 -0.22 0.00 0.00 54.13 53.56 3gas s LEU 167 Cb -0.05 -0.60 -0.01 0.00 0.50 0.00 0.00 46.19 46.03 3gas s LEU 167 CO 0.05 -0.19 -0.24 -0.13 -1.32 0.00 0.00 176.35 174.52 3gas s ARG 168 N 1.87 2.23 -0.05 1.98 0.52 -0.17 -0.30 118.95 125.03 3gas s ARG 168 Ca 0.04 -0.86 0.02 0.00 -0.52 0.00 0.00 55.73 54.41 3gas s ARG 168 Cb -0.13 -2.00 0.01 0.00 0.52 0.00 0.00 34.95 33.35 3gas s ARG 168 CO -0.07 0.43 -0.09 0.71 0.02 0.00 0.00 175.30 176.30 3gas s TYR 169 N -0.32 1.11 0.22 -0.53 2.02 -0.07 -0.69 117.35 119.09 3gas s TYR 169 Ca 0.02 -0.35 -0.30 0.00 -0.37 0.00 0.00 57.07 56.07 3gas s TYR 169 Cb -0.12 -0.84 -0.09 0.00 -0.40 0.00 0.00 41.96 40.51 3gas s TYR 169 CO 0.02 -0.19 1.37 0.15 -1.57 0.00 0.00 175.55 175.32 3gas s LYS 170 N 0.56 4.33 -0.01 -0.62 1.02 0.56 -1.63 119.74 123.95 3gas s LYS 170 Ca -0.10 2.16 0.02 0.00 0.02 0.00 0.00 55.97 58.08 3gas s LYS 170 Cb -0.13 -3.16 -0.00 0.00 -0.52 0.00 0.00 37.83 34.01 3gas s LYS 170 CO 0.02 -0.33 -0.08 0.99 -0.92 0.00 0.00 175.35 175.02 3gas s THR 171 N 0.12 0.65 -0.13 2.17 2.01 0.25 -0.81 115.64 119.90 3gas s THR 171 Ca 0.58 -0.34 -0.07 0.00 0.31 0.00 0.00 61.69 62.17 3gas s THR 171 Cb -0.39 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.53 3gas s THR 171 CO 0.40 0.19 0.11 0.20 -0.69 0.00 0.00 174.62 174.83 3gas s ASN 172 N -0.14 6.15 0.22 3.53 0.01 -0.42 -3.54 114.94 120.76 3gas s ASN 172 Ca 0.02 0.37 0.11 0.00 -0.71 0.00 0.00 52.86 52.65 3gas s ASN 172 Cb -0.04 -1.98 -0.05 0.00 0.41 0.00 0.00 41.25 39.60 3gas s ASN 172 CO -0.00 0.36 -0.21 0.42 -1.51 0.00 0.00 177.10 176.16 3gas s THR 173 N -0.74 2.25 -0.09 1.60 -4.23 -0.01 -0.45 115.64 113.98 3gas s THR 173 Ca 0.13 -2.14 -0.19 0.00 -1.18 0.00 0.00 61.69 58.31 3gas s THR 173 Cb -0.12 -2.12 0.04 0.00 1.34 0.00 0.00 72.50 71.64 3gas s THR 173 CO 0.03 -0.27 0.46 0.00 -0.54 0.00 0.00 174.62 174.30 3gas s ARG 174 N -3.01 0.72 0.31 3.99 1.70 -1.02 -4.74 118.95 116.89 3gas s ARG 174 Ca 0.23 0.24 -0.27 0.00 -0.47 0.00 0.00 55.73 55.45 3gas s ARG 174 Cb -0.06 0.34 -0.10 0.00 -0.57 0.00 0.00 34.95 34.56 3gas s ARG 174 CO 0.11 -0.17 0.97 -0.06 -1.08 0.00 0.00 175.30 175.06 3gas s PHE 175 N -0.70 3.72 -0.20 5.89 0.08 -1.26 -0.58 117.98 124.93 3gas s PHE 175 Ca -0.08 1.80 -0.03 0.00 0.12 0.00 0.00 56.93 58.74 3gas s PHE 175 Cb -0.03 -2.99 -0.01 0.00 -0.57 0.00 0.00 43.02 39.41 3gas s PHE 175 CO 0.04 0.12 -0.06 0.42 -0.10 0.00 0.00 175.22 175.64 3gas s ILE 176 N -1.47 3.38 0.77 0.64 -1.09 -0.08 -4.86 121.20 118.49 3gas s ILE 176 Ca 0.48 -0.50 -0.11 0.00 -2.23 0.00 0.00 60.65 58.29 3gas s ILE 176 Cb -0.22 -2.51 0.05 0.00 -1.58 0.00 0.00 42.46 38.20 3gas s ILE 176 CO 0.28 0.45 1.08 -1.61 -1.23 0.00 0.00 174.94 173.91 3gas s GLU 177 N 1.16 2.34 0.65 2.79 0.41 -1.26 -4.21 118.70 120.57 3gas s GLU 177 Ca 0.02 0.87 -0.17 0.00 -0.41 0.00 0.00 54.97 55.28 3gas s GLU 177 Cb -0.14 -1.93 -0.00 0.00 -1.78 0.00 0.00 34.13 30.27 3gas s GLU 177 CO -0.01 -1.50 1.21 1.03 -0.49 0.00 0.00 175.26 175.50 3gas s ARG 178 N -5.04 2.62 0.00 1.61 1.81 -1.26 -4.42 118.95 114.26 3gas s ARG 178 Ca 0.60 1.79 0.00 0.00 -1.72 0.00 0.00 55.73 56.40 3gas s ARG 178 Cb -0.15 -1.89 0.00 0.00 -0.45 0.00 0.00 34.95 32.46 3gas s ARG 178 CO 0.55 -1.48 0.00 0.41 -0.68 0.00 0.00 175.30 174.11 3gas n GLY 179 N 0.42 0.36 0.29 -3.53 0.00 -1.26 -4.91 105.19 96.56 3gas n GLY 179 Ca 0.14 -1.54 -0.07 0.00 0.00 0.00 0.00 46.02 44.55 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 0.85 -0.42 4.61 0.00 -1.99 -0.69 119.26 121.63 3gas h ALA 180 Ca 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3gas h ALA 180 Cb 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3gas h ALA 180 CO 0.00 0.45 0.05 1.49 0.00 0.00 0.00 179.25 181.24 3gas h GLU 181 N 0.92 0.70 0.03 0.00 4.81 -1.93 -1.27 114.58 117.85 3gas h GLU 181 Ca 0.22 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3gas h GLU 181 Cb 0.17 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3gas h GLU 181 CO -0.02 0.75 -0.09 0.35 -0.73 0.00 0.00 179.01 179.26 3gas h PHE 182 N 0.55 -0.24 -0.70 0.92 3.57 -1.73 -2.32 116.94 116.99 3gas h PHE 182 Ca 0.12 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.63 3gas h PHE 182 Cb 0.40 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 3gas h PHE 182 CO 0.03 -0.14 0.46 -0.44 -2.23 0.00 0.00 178.31 175.98 3gas h ASP 183 N -0.18 0.82 -0.35 0.41 3.32 -0.99 0.03 116.42 119.47 3gas h ASP 183 Ca 0.03 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3gas h ASP 183 Cb 0.20 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3gas h ASP 183 CO -0.07 0.60 0.10 0.50 -1.72 0.00 0.00 179.24 178.65 3gas h LYS 184 N 0.96 0.56 -0.26 3.56 3.64 -0.83 0.18 116.57 124.38 3gas h LYS 184 Ca 0.26 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.45 3gas h LYS 184 Cb -0.10 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 3gas h LYS 184 CO -0.05 0.59 -0.06 0.00 -2.27 0.00 0.00 179.45 177.65 3gas h ALA 185 N 0.94 0.36 -0.57 5.00 0.00 -1.17 -1.99 119.26 121.83 3gas h ALA 185 Ca 0.11 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 3gas h ALA 185 Cb 0.27 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3gas h ALA 185 CO -0.00 0.16 -0.06 0.35 0.00 0.00 0.00 179.25 179.70 3gas h PHE 186 N 0.25 1.15 -0.65 0.00 3.57 -0.90 -1.70 116.94 118.66 3gas h PHE 186 Ca 0.07 -0.22 -0.08 0.00 3.53 0.00 0.00 57.97 61.27 3gas h PHE 186 Cb 0.53 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 3gas h PHE 186 CO 0.05 1.04 0.11 -0.44 -2.23 0.00 0.00 178.31 176.85 3gas h ASP 187 N 0.94 1.02 -0.77 0.41 3.32 -0.66 -1.33 116.42 119.35 3gas h ASP 187 Ca 0.15 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 56.92 3gas h ASP 187 Cb 0.63 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 3gas h ASP 187 CO 0.04 1.01 0.30 -1.28 -1.72 0.00 0.00 179.24 177.60 3gas h SER 188 N 1.00 1.07 -0.46 6.45 0.87 -1.12 -0.97 113.55 120.39 3gas h SER 188 Ca 0.20 -0.17 -0.05 0.00 -1.23 0.00 0.00 61.79 60.54 3gas h SER 188 Cb 0.42 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 3gas h SER 188 CO 0.01 0.95 0.08 0.15 -0.53 0.00 0.00 176.83 177.49 3gas h PHE 189 N 1.13 0.81 -0.43 2.24 3.57 -0.95 -0.01 116.94 123.30 3gas h PHE 189 Ca 0.26 -0.11 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 3gas h PHE 189 Cb 0.22 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 3gas h PHE 189 CO 0.02 0.76 0.15 0.82 -2.23 0.00 0.00 178.31 177.83 3gas h ILE 190 N 0.63 1.22 -0.55 1.41 2.04 -0.97 -0.42 117.51 120.88 3gas h ILE 190 Ca 0.14 -0.70 -0.08 0.00 1.00 0.00 0.00 64.86 65.22 3gas h ILE 190 Cb 0.38 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 3gas h ILE 190 CO 0.01 0.25 0.04 -0.08 0.00 0.00 0.00 178.15 178.37 3gas h GLU 191 N 0.56 0.91 0.12 2.37 4.57 -0.98 0.27 114.58 122.40 3gas h GLU 191 Ca 0.14 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 3gas h GLU 191 Cb 0.25 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 3gas h GLU 191 CO -0.01 0.88 -0.06 -0.22 -1.18 0.00 0.00 179.01 178.43 3gas h LYS 192 N 0.85 -0.16 0.00 1.92 3.64 -0.84 -3.31 116.57 118.67 3gas h LYS 192 Ca 0.17 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3gas h LYS 192 Cb 0.45 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3gas h LYS 192 CO 0.02 0.29 0.00 1.79 -2.27 0.00 0.00 179.45 179.28 3gas h THR 193 N -0.69 0.00 0.00 1.00 1.35 -1.10 -3.47 112.91 110.00 3gas h THR 193 Ca -0.02 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 3gas h THR 193 Cb 0.52 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 3gas h THR 193 CO 0.03 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 3gas n GLY 194 N 0.74 2.68 2.35 5.82 0.00 0.02 -4.62 105.19 112.18 3gas n GLY 194 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.90 1.18 4.01 -0.02 0.00 -0.81 -4.92 105.19 102.73 3gas n GLY 195 Ca 0.00 -0.45 -0.20 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.35 4.27 0.00 4.61 0.00 -1.26 -4.23 121.76 122.81 3gas s ALA 196 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.16 3gas s ALA 196 Cb 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.38 3gas s ALA 196 CO 0.00 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.28 3gas n GLY 197 N -2.34 0.57 0.00 0.00 0.00 -1.26 -3.97 105.19 98.19 3gas n GLY 197 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.85 1.18 0.35 -0.02 0.00 -1.26 -4.98 105.19 97.61 3gas n GLY 198 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 1.07 -0.26 -0.61 2.04 -1.80 -0.82 117.51 117.13 3gas h ILE 199 Ca 0.00 -0.37 -0.11 0.00 1.00 0.00 0.00 64.86 65.38 3gas h ILE 199 Cb 0.00 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 35.95 3gas h ILE 199 CO 0.00 0.20 -0.29 0.11 0.00 0.00 0.00 178.15 178.17 3gas h LYS 200 N 1.09 0.53 -0.05 2.37 1.57 -1.89 -2.67 116.57 117.53 3gas h LYS 200 Ca 0.40 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 3gas h LYS 200 Cb 0.16 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 3gas h LYS 200 CO -0.17 0.77 -0.01 1.15 -0.57 0.00 0.00 179.45 180.62 3gas h THR 201 N 0.46 1.28 0.00 -0.16 2.02 -1.78 -3.13 112.91 111.61 3gas h THR 201 Ca 0.06 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.36 3gas h THR 201 Cb 0.74 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 3gas h THR 201 CO 0.06 0.24 0.00 0.16 0.37 0.00 0.00 175.52 176.35 3gas h ILE 202 N -0.24 0.00 -0.61 3.11 3.07 -1.06 -2.08 117.51 119.70 3gas h ILE 202 Ca 0.01 -0.29 -0.02 0.00 1.55 0.00 0.00 64.86 66.11 3gas h ILE 202 Cb 0.39 1.19 -0.03 0.00 -0.27 0.00 0.00 36.82 38.10 3gas h ILE 202 CO 0.00 0.00 0.28 -0.09 -1.05 0.00 0.00 178.15 177.30 3gas h ARG 203 N 0.00 0.86 -5.50 0.16 2.43 -1.41 -3.45 114.38 107.46 3gas h ARG 203 Ca 0.00 -0.11 -0.68 0.00 -0.81 0.00 0.00 59.98 58.38 3gas h ARG 203 Cb 0.31 -0.16 -0.12 0.00 -0.42 0.00 0.00 29.97 29.57 3gas h ARG 203 CO 0.00 0.67 1.65 0.00 -1.51 0.00 0.00 179.97 180.78 3gas s ALA 204 N -5.48 3.39 0.00 2.80 0.00 -0.79 -5.04 121.76 116.64 3gas s ALA 204 Ca -0.10 -2.88 0.00 0.00 0.00 0.00 0.00 51.96 48.97 3gas s ALA 204 Cb 0.17 -4.40 0.00 0.00 0.00 0.00 0.00 23.12 18.88 3gas s ALA 204 CO 0.79 -3.18 0.00 1.04 0.00 0.00 0.00 175.76 174.41 3gas n GLN 206 N 7.50 1.05 0.00 0.00 1.13 -1.26 -5.05 117.38 120.74 3gas n GLN 206 Ca 0.39 0.00 0.15 0.00 -1.94 0.00 0.00 57.00 55.60 3gas n GLN 206 Cb 0.47 -0.09 0.74 0.00 0.11 0.00 0.00 30.24 31.46 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 0.00 -4.86 1.08 5.75 -1.26 -4.78 116.55 112.48 3gas n ASP 207 Ca 0.00 -0.03 -0.37 0.00 -0.01 0.00 0.00 54.79 54.39 3gas n ASP 207 Cb 0.00 -0.32 -0.06 0.00 -1.03 0.00 0.00 41.12 39.71 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 -2.65 3.65 0.01 2.11 0.08 -1.26 -0.92 117.98 119.00 3gas s PHE 208 Ca 0.26 0.79 0.04 0.00 0.12 0.00 0.00 56.93 58.15 3gas s PHE 208 Cb 0.20 -2.15 -0.02 0.00 -0.57 0.00 0.00 43.02 40.49 3gas s PHE 208 CO 0.47 0.63 -0.14 -1.01 -0.10 0.00 0.00 175.22 175.08 3gas s HIS 209 N -1.18 1.20 0.00 0.36 3.76 0.11 -4.94 115.29 114.60 3gas s HIS 209 Ca 0.25 -0.29 -0.23 0.00 -0.15 0.00 0.00 55.06 54.64 3gas s HIS 209 Cb -0.15 -0.74 -0.05 0.00 1.11 0.00 0.00 32.58 32.75 3gas s HIS 209 CO 0.13 0.01 0.67 -1.17 -0.85 0.00 0.00 174.74 173.53 3gas s LEU 210 N -0.72 4.41 -0.10 0.89 2.96 -1.26 -1.85 118.68 123.01 3gas s LEU 210 Ca 0.03 1.27 0.01 0.00 -0.22 0.00 0.00 54.13 55.22 3gas s LEU 210 Cb -0.06 -3.06 0.02 0.00 0.50 0.00 0.00 46.19 43.58 3gas s LEU 210 CO 0.00 0.03 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.33 3gas s ILE 211 N 0.02 1.16 0.35 6.68 1.01 0.17 -0.90 121.20 129.69 3gas s ILE 211 Ca 0.35 -0.42 -0.25 0.00 0.00 0.00 0.00 60.65 60.33 3gas s ILE 211 Cb -0.19 -1.12 -0.10 0.00 0.01 0.00 0.00 42.46 41.07 3gas s ILE 211 CO 0.19 0.38 0.98 0.00 0.00 0.00 0.00 174.94 176.49 3gas s ALA 212 N 1.28 3.18 -0.20 9.38 0.00 0.25 -0.93 121.76 134.71 3gas s ALA 212 Ca -0.02 0.58 -0.05 0.00 0.00 0.00 0.00 51.96 52.46 3gas s ALA 212 Cb -0.14 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 3gas s ALA 212 CO -0.04 0.06 0.00 -0.51 0.00 0.00 0.00 175.76 175.27 3gas s LEU 213 N -2.24 3.24 -0.39 0.00 1.43 -0.29 -2.45 118.68 117.98 3gas s LEU 213 Ca 0.53 -0.22 -0.05 0.00 -1.03 0.00 0.00 54.13 53.36 3gas s LEU 213 Cb -0.19 -1.82 0.09 0.00 0.03 0.00 0.00 46.19 44.29 3gas s LEU 213 CO 0.25 0.05 0.19 -0.62 0.23 0.00 0.00 176.35 176.45 3gas s ASP 214 N 1.08 5.31 0.23 2.29 2.15 0.41 -4.39 116.67 123.74 3gas s ASP 214 Ca 0.02 -1.74 -0.30 0.00 0.43 0.00 0.00 52.55 50.96 3gas s ASP 214 Cb -0.14 -1.86 -0.09 0.00 -0.30 0.00 0.00 42.92 40.53 3gas s ASP 214 CO 0.01 -0.50 1.15 -0.36 -0.17 0.00 0.00 175.17 175.31 3gas s PHE 215 N 1.25 3.49 0.00 -5.34 0.08 -1.26 -1.30 117.98 114.90 3gas s PHE 215 Ca 0.04 1.56 0.00 0.00 0.12 0.00 0.00 56.93 58.65 3gas s PHE 215 Cb -0.22 -3.36 0.00 0.00 -0.57 0.00 0.00 43.02 38.86 3gas s PHE 215 CO -0.02 -0.89 0.00 1.63 -0.10 0.00 0.00 175.22 175.84 3gas n LYS 216 N 1.89 0.00 -1.75 0.44 4.76 0.01 -4.81 118.16 118.70 3gas n LYS 216 Ca 0.02 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.04 3gas n LYS 216 Cb 0.45 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.63 3gas n LYS 216 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3gas n GLU 217 N 0.00 2.70 -4.21 1.97 4.71 -1.26 -4.48 120.64 120.07 3gas n GLU 217 Ca 0.00 0.96 -0.15 0.00 -0.01 0.00 0.00 57.16 57.96 3gas n GLU 217 Cb 0.00 -2.73 -0.11 0.00 -1.01 0.00 0.00 31.44 27.60 3gas n GLU 217 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 3gas s GLY 218 N 0.34 0.97 -0.05 0.62 0.00 0.48 -0.32 107.32 109.36 3gas s GLY 218 Ca 0.61 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 44.01 3gas s GLY 218 CO 0.52 -1.40 -0.02 -1.60 0.00 0.00 0.00 173.10 170.60 3gas s ARG 219 N -3.14 0.62 -0.08 2.90 6.06 0.13 -0.61 118.95 124.83 3gas s ARG 219 Ca 0.10 0.01 0.04 0.00 -2.50 0.00 0.00 55.73 53.38 3gas s ARG 219 Cb -0.01 -0.79 -0.01 0.00 0.06 0.00 0.00 34.95 34.20 3gas s ARG 219 CO 0.01 -0.16 -0.22 0.12 -2.50 0.00 0.00 175.30 172.55 3gas s PHE 220 N 1.27 2.57 -0.13 5.12 5.36 -0.10 -1.00 117.98 131.06 3gas s PHE 220 Ca -0.06 -0.78 0.00 0.00 -0.96 0.00 0.00 56.93 55.13 3gas s PHE 220 Cb -0.13 -1.68 0.02 0.00 -0.34 0.00 0.00 43.02 40.89 3gas s PHE 220 CO -0.02 -0.26 -0.11 0.08 -1.46 0.00 0.00 175.22 173.45 3gas s VAL 221 N 0.06 1.33 0.00 3.12 1.01 -0.12 -0.48 120.40 125.32 3gas s VAL 221 Ca -0.09 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.41 3gas s VAL 221 Cb -0.15 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 34.94 3gas s VAL 221 CO 0.06 0.42 0.31 2.29 0.00 0.00 0.00 175.10 178.17 3gas n LYS 222 N 4.81 1.51 -3.73 2.72 2.85 -0.78 -2.11 118.16 123.43 3gas n LYS 222 Ca -0.15 -0.31 0.02 0.00 -1.05 0.00 0.00 58.31 56.82 3gas n LYS 222 Cb 0.50 -0.79 0.00 0.00 -0.65 0.00 0.00 35.03 34.09 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 -0.30 -0.33 0.04 2.58 0.00 -1.24 -4.93 107.32 103.13 3gas s GLY 223 Ca 0.00 0.50 -0.31 0.00 0.00 0.00 0.00 44.72 44.91 3gas s GLY 223 CO 0.00 1.79 1.41 -1.36 0.00 0.00 0.00 173.10 174.94 3gas s PHE 224 N -2.27 2.96 -1.08 1.90 0.08 -1.26 -1.64 117.98 116.67 3gas s PHE 224 Ca 0.19 0.84 0.00 0.00 0.12 0.00 0.00 56.93 58.08 3gas s PHE 224 Cb 0.03 -3.68 0.00 0.00 -0.57 0.00 0.00 43.02 38.80 3gas s PHE 224 CO -0.03 -2.48 0.00 0.41 -0.10 0.00 0.00 175.22 173.02 3gas n GLY 225 N 3.61 0.75 2.34 4.36 0.00 -1.26 -4.94 105.19 110.05 3gas n GLY 225 Ca 0.13 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.46 1.55 -4.66 1.61 6.02 -0.65 -4.88 117.38 113.92 3gas n GLN 226 Ca -0.12 -3.84 -0.32 0.00 -0.01 0.00 0.00 57.00 52.71 3gas n GLN 226 Cb 0.44 -1.70 -0.12 0.00 1.02 0.00 0.00 30.24 29.88 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 -2.00 2.78 0.02 -1.58 0.00 -1.26 -1.86 121.76 117.85 3gas s ALA 227 Ca 0.39 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 51.31 3gas s ALA 227 Cb 0.21 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 3gas s ALA 227 CO -0.08 0.58 -0.07 0.71 0.00 0.00 0.00 175.76 176.91 3gas s TYR 228 N -0.89 0.57 -0.10 0.00 2.02 0.36 -1.30 117.35 118.02 3gas s TYR 228 Ca 0.14 -0.35 -0.05 0.00 -0.37 0.00 0.00 57.07 56.44 3gas s TYR 228 Cb -0.11 -0.35 -0.04 0.00 -0.40 0.00 0.00 41.96 41.07 3gas s TYR 228 CO 0.05 -0.06 0.12 -0.51 -1.57 0.00 0.00 175.55 173.58 3gas s ASP 229 N -1.04 6.18 0.02 2.29 1.01 0.30 -0.93 116.67 124.50 3gas s ASP 229 Ca -0.06 0.39 0.04 0.00 0.71 0.00 0.00 52.55 53.63 3gas s ASP 229 Cb -0.07 -1.95 -0.02 0.00 1.01 0.00 0.00 42.92 41.89 3gas s ASP 229 CO 0.00 0.38 -0.13 -0.63 0.21 0.00 0.00 175.17 175.01 3gas s ILE 230 N -1.05 0.99 -0.27 0.77 1.01 0.22 -0.82 121.20 122.05 3gas s ILE 230 Ca 0.17 -0.79 -0.01 0.00 0.00 0.00 0.00 60.65 60.02 3gas s ILE 230 Cb -0.12 -0.88 0.16 0.00 0.01 0.00 0.00 42.46 41.64 3gas s ILE 230 CO 0.06 0.09 0.49 -0.22 0.00 0.00 0.00 174.94 175.36 3gas s LEU 231 N -0.79 -1.04 0.00 2.97 2.96 -0.37 -0.38 118.68 122.02 3gas s LEU 231 Ca 0.02 0.48 0.00 0.00 -0.22 0.00 0.00 54.13 54.41 3gas s LEU 231 Cb -0.06 1.64 0.00 0.00 0.50 0.00 0.00 46.19 48.27 3gas s LEU 231 CO 0.00 -0.29 0.00 0.61 -1.32 0.00 0.00 176.35 175.36 3gas n GLY 232 N 5.40 3.88 0.80 7.98 0.00 -1.26 -1.39 105.19 120.59 3gas n GLY 232 Ca -0.02 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 8.16 2.36 -4.66 1.61 5.68 -1.26 -4.90 116.55 123.54 3gas n ASP 233 Ca 0.00 -1.90 -0.35 0.00 -0.50 0.00 0.00 54.79 52.04 3gas n ASP 233 Cb 0.00 -0.23 -0.10 0.00 -1.14 0.00 0.00 41.12 39.65 3gas n ASP 233 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3gas s LYS 234 N -1.54 3.24 0.01 0.11 -0.14 -0.49 -5.10 119.74 115.84 3gas s LYS 234 Ca 0.33 -0.40 0.03 0.00 -1.36 0.00 0.00 55.97 54.56 3gas s LYS 234 Cb 0.18 -2.88 -0.01 0.00 -1.68 0.00 0.00 37.83 33.43 3gas s LYS 234 CO 0.24 0.58 -0.09 0.42 -0.76 0.00 0.00 175.35 175.75 3gas s ILE 235 N -0.55 0.67 -0.04 2.17 1.01 -1.26 -1.24 121.20 121.97 3gas s ILE 235 Ca 0.09 -0.62 -0.04 0.00 0.00 0.00 0.00 60.65 60.08 3gas s ILE 235 Cb -0.12 -0.61 0.01 0.00 0.01 0.00 0.00 42.46 41.75 3gas s ILE 235 CO 0.02 0.01 0.12 0.00 0.00 0.00 0.00 174.94 175.09 3gas s ALA 236 N -0.58 -0.28 0.15 9.38 0.00 0.00 -4.98 121.76 125.45 3gas s ALA 236 Ca -0.00 0.23 -0.30 0.00 0.00 0.00 0.00 51.96 51.89 3gas s ALA 236 Cb -0.05 -0.14 -0.07 0.00 0.00 0.00 0.00 23.12 22.85 3gas s ALA 236 CO 0.00 -0.08 1.15 -0.47 0.00 0.00 0.00 175.76 176.36 3gas s TYR 237 N -0.21 3.51 -0.43 0.00 5.04 -1.26 -0.54 117.35 123.46 3gas s TYR 237 Ca -0.03 1.48 0.23 0.00 -2.44 0.00 0.00 57.07 56.32 3gas s TYR 237 Cb -0.02 -3.35 0.27 0.00 0.35 0.00 0.00 41.96 39.20 3gas s TYR 237 CO 0.00 -0.92 1.38 0.28 -1.34 0.00 0.00 175.55 174.95 3gas h VAL 238 N 3.93 0.00 -0.95 3.14 2.07 -1.55 -3.41 116.25 119.48 3gas h VAL 238 Ca -0.44 -0.86 -0.60 0.00 0.82 0.00 0.00 66.70 65.61 3gas h VAL 238 Cb 1.21 1.62 -0.30 0.00 -1.52 0.00 0.00 31.29 32.30 3gas h VAL 238 CO 0.75 0.00 0.66 0.61 0.02 0.00 0.00 177.57 179.61 3gas n GLY 239 N 1.19 5.51 0.37 2.17 0.00 -1.26 -4.67 105.19 108.50 3gas n GLY 239 Ca 0.03 -1.96 0.11 0.00 0.00 0.00 0.00 46.02 44.19 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 1.70 0.69 0.29 1.61 3.32 -1.99 -0.11 116.42 121.94 3gas h ASP 240 Ca 0.58 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.67 3gas h ASP 240 Cb 1.44 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.90 3gas h ASP 240 CO 1.35 0.36 0.00 0.29 -1.72 0.00 0.00 179.24 179.52 3gas n LYS 241 N -4.57 0.52 0.00 3.56 4.76 -1.26 -5.01 118.16 116.16 3gas n LYS 241 Ca 0.17 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 3gas n LYS 241 Cb 0.44 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 3gas n LYS 241 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gas n GLY 242 N 0.73 -1.23 2.43 0.72 0.00 -0.06 -4.87 105.19 102.91 3gas n GLY 242 Ca 0.14 -1.57 -0.45 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.08 0.65 -0.22 1.61 2.85 -0.12 -4.81 115.26 114.14 3gas n ASN 243 Ca 0.00 0.61 0.12 0.00 -0.11 0.00 0.00 54.58 55.20 3gas n ASN 243 Cb 0.00 -0.63 0.18 0.00 1.24 0.00 0.00 39.78 40.57 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 4.44 0.64 -1.12 1.20 -0.04 -1.26 -4.64 135.00 134.20 3gas n PRO 244 Ca 0.33 -0.45 -0.30 0.00 -0.04 0.00 0.00 63.50 63.05 3gas n PRO 244 Cb -0.03 -1.49 0.15 0.00 -0.04 0.00 0.00 33.50 32.09 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 -2.67 2.18 -1.88 0.54 3.76 -1.26 -3.47 115.29 112.48 3gas s HIS 245 Ca 0.18 1.25 0.00 0.00 -0.15 0.00 0.00 55.06 56.33 3gas s HIS 245 Cb 0.18 -3.18 0.00 0.00 1.11 0.00 0.00 32.58 30.69 3gas s HIS 245 CO 0.62 -2.59 0.00 0.09 -0.85 0.00 0.00 174.74 172.01 3gas n ASN 246 N -4.02 -5.76 -3.76 1.40 3.02 -1.26 -2.67 115.26 102.21 3gas n ASN 246 Ca 0.07 0.13 -0.26 0.00 -0.03 0.00 0.00 54.58 54.48 3gas n ASN 246 Cb 0.55 -4.85 0.04 0.00 -0.61 0.00 0.00 39.78 34.91 3gas n ASN 246 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3gas n PHE 247 N -3.57 -2.35 0.14 3.10 3.72 -1.23 -4.86 117.46 112.40 3gas n PHE 247 Ca -0.23 0.92 0.19 0.00 -0.05 0.00 0.00 57.45 58.28 3gas n PHE 247 Cb 0.68 -4.39 0.73 0.00 -0.94 0.00 0.00 39.48 35.57 3gas n PHE 247 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gas h ALA 248 N 0.95 1.96 0.00 4.37 0.00 -1.54 -3.52 119.26 121.48 3gas h ALA 248 Ca -0.59 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3gas h ALA 248 Cb 1.37 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3gas h ALA 248 CO 0.61 -0.63 0.00 -2.39 0.00 0.00 0.00 179.25 176.84