#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gas h GLU 4 N 0.00 0.00 -6.43 -0.78 5.08 -2.00 -3.38 114.58 107.08 2gas h GLU 4 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 2gas h GLU 4 Cb 0.00 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.27 2gas h GLU 4 CO 0.00 0.20 0.97 -0.80 -1.00 0.00 0.00 179.01 178.38 2gas s ASN 5 N -6.19 6.66 -0.24 1.42 0.01 -1.26 -4.86 114.94 110.48 2gas s ASN 5 Ca 0.03 2.40 -0.22 0.00 -0.71 0.00 0.00 52.86 54.37 2gas s ASN 5 Cb 0.08 -2.56 -0.02 0.00 0.41 0.00 0.00 41.25 39.16 2gas s ASN 5 CO 0.66 -0.85 0.70 -0.54 -1.51 0.00 0.00 177.10 175.55 2gas s LYS 6 N 2.61 4.16 -0.19 -0.60 1.02 -1.26 -3.82 119.74 121.66 2gas s LYS 6 Ca 0.72 0.70 -0.04 0.00 0.02 0.00 0.00 55.97 57.36 2gas s LYS 6 Cb -0.38 -3.63 -0.02 0.00 -0.52 0.00 0.00 37.83 33.28 2gas s LYS 6 CO 0.31 -0.41 -0.02 0.42 -0.92 0.00 0.00 175.35 174.73 2gas s ILE 7 N 2.48 3.82 -0.19 2.17 1.01 -0.72 -0.79 121.20 128.98 2gas s ILE 7 Ca 0.30 -0.36 -0.06 0.00 0.00 0.00 0.00 60.65 60.52 2gas s ILE 7 Cb -0.16 -2.72 -0.03 0.00 0.01 0.00 0.00 42.46 39.56 2gas s ILE 7 CO 0.09 0.44 0.03 -0.22 0.00 0.00 0.00 174.94 175.28 2gas s LEU 8 N 0.97 3.54 -0.24 2.97 2.96 0.41 -0.57 118.68 128.72 2gas s LEU 8 Ca 0.01 -0.06 -0.06 0.00 -0.22 0.00 0.00 54.13 53.80 2gas s LEU 8 Cb -0.14 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.63 2gas s LEU 8 CO 0.01 0.11 0.02 -0.63 -1.32 0.00 0.00 176.35 174.54 2gas s ILE 9 N 0.72 3.86 0.04 6.68 -1.09 -0.17 -0.82 121.20 130.42 2gas s ILE 9 Ca 0.02 -0.34 -0.14 0.00 -2.23 0.00 0.00 60.65 57.96 2gas s ILE 9 Cb -0.14 -2.79 -0.06 0.00 -1.58 0.00 0.00 42.46 37.89 2gas s ILE 9 CO 0.02 0.37 0.43 -0.76 -1.23 0.00 0.00 174.94 173.78 2gas s LEU 10 N 1.55 4.44 -0.74 2.97 1.43 0.19 -2.40 118.68 126.11 2gas s LEU 10 Ca 0.06 0.96 -0.05 0.00 -1.03 0.00 0.00 54.13 54.07 2gas s LEU 10 Cb -0.15 -2.77 0.01 0.00 0.03 0.00 0.00 46.19 43.30 2gas s LEU 10 CO 0.00 0.26 0.61 0.61 0.23 0.00 0.00 176.35 178.06 2gas n GLY 11 N 1.49 0.14 0.30 -3.19 0.00 -1.26 -1.78 105.19 100.88 2gas n GLY 11 Ca -0.11 -0.19 0.15 0.00 0.00 0.00 0.00 46.02 45.87 2gas n GLY 11 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gas h PRO 12 N -1.39 0.00 -0.26 1.61 0.13 -1.82 -2.61 132.00 127.66 2gas h PRO 12 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2gas h PRO 12 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2gas h PRO 12 CO 0.30 0.01 0.00 0.25 -0.23 0.00 0.00 178.00 178.33 2gas n THR 13 N -3.84 0.32 -1.20 1.56 -2.24 -1.26 -2.11 114.28 105.51 2gas n THR 13 Ca -0.03 -0.57 -0.29 0.00 -2.27 0.00 0.00 64.05 60.89 2gas n THR 13 Cb 0.09 0.85 0.18 0.00 -2.10 0.00 0.00 70.33 69.36 2gas n THR 13 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2gas s GLY 14 N -1.61 1.57 0.31 3.38 0.00 -0.98 -4.74 107.32 105.25 2gas s GLY 14 Ca 0.35 -0.49 0.01 0.00 0.00 0.00 0.00 44.72 44.59 2gas s GLY 14 CO 0.30 0.16 1.94 0.00 0.00 0.00 0.00 173.10 175.50 2gas h ALA 15 N -1.97 1.52 0.07 3.20 0.00 -1.89 -2.34 119.26 117.84 2gas h ALA 15 Ca -0.53 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.09 2gas h ALA 15 Cb 1.33 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2gas h ALA 15 CO 0.55 0.37 -1.35 0.82 0.00 0.00 0.00 179.25 179.64 2gas h ILE 16 N 1.00 0.98 -0.94 0.00 1.08 -1.92 -3.39 117.51 114.33 2gas h ILE 16 Ca 0.35 -2.31 0.12 0.00 -0.39 0.00 0.00 64.86 62.63 2gas h ILE 16 Cb 0.12 2.56 -0.07 0.00 -3.07 0.00 0.00 36.82 36.36 2gas h ILE 16 CO -0.12 0.60 0.60 1.23 -0.69 0.00 0.00 178.15 179.77 2gas h GLY 17 N -0.20 1.41 1.17 5.37 0.00 -1.69 -2.46 103.07 106.67 2gas h GLY 17 Ca -0.32 -0.37 0.04 0.00 0.00 0.00 0.00 47.33 46.68 2gas h GLY 17 CO -0.03 0.15 0.47 0.07 0.00 0.00 0.00 176.54 177.20 2gas h ARG 18 N 0.88 0.82 0.00 4.80 0.11 -0.87 -0.84 114.38 119.28 2gas h ARG 18 Ca 0.46 -0.05 -0.08 0.00 0.10 0.00 0.00 59.98 60.40 2gas h ARG 18 Cb 0.53 -0.19 -0.01 0.00 1.11 0.00 0.00 29.97 31.41 2gas h ARG 18 CO -0.22 0.54 -0.40 0.45 0.10 0.00 0.00 179.97 180.44 2gas h HIS 19 N 0.85 0.00 -0.12 4.08 3.86 -1.66 -1.08 115.15 121.07 2gas h HIS 19 Ca 0.29 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.31 2gas h HIS 19 Cb 0.09 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.57 2gas h HIS 19 CO -0.00 0.40 -0.67 0.82 0.86 0.00 0.00 177.93 179.34 2gas h ILE 20 N 0.00 1.32 -0.06 2.45 1.08 -1.23 -1.12 117.51 119.96 2gas h ILE 20 Ca -0.00 -1.92 -0.00 0.00 -0.39 0.00 0.00 64.86 62.54 2gas h ILE 20 Cb 0.97 2.10 -0.00 0.00 -3.07 0.00 0.00 36.82 36.82 2gas h ILE 20 CO 0.05 0.60 0.03 0.58 -0.69 0.00 0.00 178.15 178.72 2gas h VAL 21 N 0.35 1.06 -0.66 1.67 2.07 -0.97 -0.83 116.25 118.95 2gas h VAL 21 Ca -0.05 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 2gas h VAL 21 Cb 1.31 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 2gas h VAL 21 CO 0.14 0.05 0.26 -0.50 0.02 0.00 0.00 177.57 177.54 2gas h TRP 22 N 0.02 0.97 -0.18 1.57 6.55 -1.21 -1.83 115.95 121.84 2gas h TRP 22 Ca 0.02 -0.06 -0.11 0.00 0.95 0.00 0.00 58.89 59.69 2gas h TRP 22 Cb 0.06 -0.30 -0.01 0.00 -0.86 0.00 0.00 29.16 28.05 2gas h TRP 22 CO -0.05 0.74 -0.35 0.00 -1.05 0.00 0.00 178.44 177.73 2gas h ALA 23 N 1.34 1.07 -0.38 1.49 0.00 -0.97 -0.22 119.26 121.59 2gas h ALA 23 Ca 0.22 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 2gas h ALA 23 Cb 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2gas h ALA 23 CO -0.02 0.58 0.01 1.03 0.00 0.00 0.00 179.25 180.86 2gas h SER 24 N 0.32 0.65 -0.43 0.00 0.87 -0.64 -0.84 113.55 113.47 2gas h SER 24 Ca 0.04 -0.30 -0.03 0.00 -1.23 0.00 0.00 61.79 60.27 2gas h SER 24 Cb 0.77 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 2gas h SER 24 CO 0.06 0.79 0.15 0.40 -0.53 0.00 0.00 176.83 177.70 2gas h ILE 25 N 0.49 1.21 -0.72 2.23 1.08 -1.10 -1.94 117.51 118.77 2gas h ILE 25 Ca 0.11 -0.69 0.03 0.00 -0.39 0.00 0.00 64.86 63.92 2gas h ILE 25 Cb 0.45 0.85 -0.04 0.00 -3.07 0.00 0.00 36.82 35.01 2gas h ILE 25 CO 0.02 0.25 0.45 0.50 -0.69 0.00 0.00 178.15 178.68 2gas h LYS 26 N 0.56 0.86 0.00 2.37 1.63 -0.83 -1.63 116.57 119.52 2gas h LYS 26 Ca 0.14 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.88 2gas h LYS 26 Cb 0.24 -0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 31.67 2gas h LYS 26 CO -0.01 0.57 -0.03 0.00 -3.45 0.00 0.00 179.45 176.53 2gas h ALA 27 N 1.31 1.02 0.00 5.00 0.00 -1.00 -3.47 119.26 122.12 2gas h ALA 27 Ca 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2gas h ALA 27 Cb 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2gas h ALA 27 CO -0.11 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.59 2gas n GLY 28 N -0.10 0.87 3.78 0.00 0.00 -0.61 -4.92 105.19 104.20 2gas n GLY 28 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2gas n GLY 28 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2gas s ASN 29 N -2.21 6.67 0.05 1.61 -0.87 -0.77 -4.93 114.94 114.48 2gas s ASN 29 Ca 0.00 2.06 -0.31 0.00 -1.57 0.00 0.00 52.86 53.04 2gas s ASN 29 Cb 0.00 -2.59 -0.07 0.00 -0.02 0.00 0.00 41.25 38.57 2gas s ASN 29 CO 0.00 -0.55 1.59 -2.84 -2.57 0.00 0.00 177.10 172.73 2gas s PRO 30 N -2.57 4.22 -0.12 -0.60 0.02 -1.25 -4.54 135.00 130.16 2gas s PRO 30 Ca 0.59 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.85 2gas s PRO 30 Cb -0.22 -3.61 -0.02 0.00 0.02 0.00 0.00 34.50 30.67 2gas s PRO 30 CO 0.28 -0.70 -0.13 0.99 -0.33 0.00 0.00 177.00 177.11 2gas s THR 31 N 2.63 3.10 0.05 0.99 2.01 -1.26 -1.75 115.64 121.42 2gas s THR 31 Ca 0.71 -0.65 0.08 0.00 0.31 0.00 0.00 61.69 62.14 2gas s THR 31 Cb -0.37 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 69.82 2gas s THR 31 CO 0.31 0.53 -0.22 -0.31 -0.69 0.00 0.00 174.62 174.24 2gas s TYR 32 N 0.16 1.96 -0.06 4.92 1.51 0.27 -0.64 117.35 125.47 2gas s TYR 32 Ca -0.07 -0.39 0.02 0.00 -1.01 0.00 0.00 57.07 55.62 2gas s TYR 32 Cb -0.15 -1.16 0.02 0.00 -0.11 0.00 0.00 41.96 40.56 2gas s TYR 32 CO 0.05 0.12 -0.10 0.00 -1.11 0.00 0.00 175.55 174.51 2gas s ALA 33 N -0.83 1.06 -0.25 3.71 0.00 -0.29 -1.00 121.76 124.16 2gas s ALA 33 Ca 0.09 -0.29 -0.25 0.00 0.00 0.00 0.00 51.96 51.51 2gas s ALA 33 Cb -0.09 -0.51 -0.00 0.00 0.00 0.00 0.00 23.12 22.51 2gas s ALA 33 CO 0.02 0.08 0.85 -1.17 0.00 0.00 0.00 175.76 175.54 2gas s LEU 34 N 0.73 4.08 0.01 0.00 2.96 -1.01 -1.30 118.68 124.16 2gas s LEU 34 Ca -0.14 1.03 0.01 0.00 -0.22 0.00 0.00 54.13 54.81 2gas s LEU 34 Cb -0.15 -3.22 -0.01 0.00 0.50 0.00 0.00 46.19 43.31 2gas s LEU 34 CO 0.03 -0.55 -0.03 0.68 -1.32 0.00 0.00 176.35 175.16 2gas s VAL 35 N 2.91 0.18 -0.15 1.68 -7.23 -0.60 -4.55 120.40 112.63 2gas s VAL 35 Ca 0.36 -0.59 -0.19 0.00 -1.81 0.00 0.00 61.98 59.75 2gas s VAL 35 Cb -0.15 -0.25 -0.04 0.00 0.56 0.00 0.00 36.38 36.50 2gas s VAL 35 CO 0.08 -0.26 0.51 -0.13 -0.31 0.00 0.00 175.10 174.99 2gas s ARG 36 N -0.89 4.28 -0.40 4.82 0.52 -1.24 -2.35 118.95 123.69 2gas s ARG 36 Ca -0.08 0.47 -0.02 0.00 -0.52 0.00 0.00 55.73 55.57 2gas s ARG 36 Cb -0.06 -3.49 0.16 0.00 0.52 0.00 0.00 34.95 32.08 2gas s ARG 36 CO -0.00 0.02 2.36 1.63 0.02 0.00 0.00 175.30 179.33 2gas n LYS 37 N 4.15 2.12 -4.31 3.54 4.76 -1.26 -4.86 118.16 122.30 2gas n LYS 37 Ca -0.06 -2.00 -0.17 0.00 -2.87 0.00 0.00 58.31 53.22 2gas n LYS 37 Cb 0.51 -1.89 -0.10 0.00 -1.84 0.00 0.00 35.03 31.71 2gas n LYS 37 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2gas s THR 38 N -2.40 1.24 -0.26 -0.18 -1.32 -1.26 -5.12 115.64 106.33 2gas s THR 38 Ca 0.45 -2.08 -0.24 0.00 -1.21 0.00 0.00 61.69 58.61 2gas s THR 38 Cb 0.32 -2.12 -0.00 0.00 -1.51 0.00 0.00 72.50 69.19 2gas s THR 38 CO -0.10 -0.52 0.82 -0.63 -2.21 0.00 0.00 174.62 171.98 2gas s ILE 48 N -3.29 4.82 0.28 5.08 1.01 -1.26 -5.03 121.20 122.81 2gas s ILE 48 Ca 0.23 1.48 0.01 0.00 0.00 0.00 0.00 60.65 62.37 2gas s ILE 48 Cb 0.03 -4.13 -0.00 0.00 0.01 0.00 0.00 42.46 38.37 2gas s ILE 48 CO 0.06 -0.12 0.04 0.35 0.00 0.00 0.00 174.94 175.26 2gas n THR 49 N 5.33 0.00 1.35 2.92 -2.24 -1.26 -5.04 114.28 115.35 2gas n THR 49 Ca 0.05 -1.46 0.06 0.00 -2.27 0.00 0.00 64.05 60.43 2gas n THR 49 Cb 0.48 0.39 0.22 0.00 -2.10 0.00 0.00 70.33 69.31 2gas n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gas n ALA 50 N -1.94 2.49 -1.73 6.98 0.00 -1.26 -4.93 120.51 120.12 2gas n ALA 50 Ca -0.12 -0.39 -0.39 0.00 0.00 0.00 0.00 53.44 52.54 2gas n ALA 50 Cb 0.38 -1.05 0.03 0.00 0.00 0.00 0.00 19.45 18.82 2gas n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gas n ALA 51 N 0.09 1.58 -1.66 0.00 0.00 -1.26 -4.82 120.51 114.43 2gas n ALA 51 Ca 0.10 0.18 -0.51 0.00 0.00 0.00 0.00 53.44 53.21 2gas n ALA 51 Cb 0.21 -2.34 -0.05 0.00 0.00 0.00 0.00 19.45 17.27 2gas n ALA 51 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2gas n ASN 52 N -0.57 3.07 0.05 0.00 5.15 -1.26 -4.85 115.26 116.86 2gas n ASN 52 Ca 0.09 0.91 -0.02 0.00 -0.60 0.00 0.00 54.58 54.96 2gas n ASN 52 Cb 0.43 -1.31 0.25 0.00 -0.53 0.00 0.00 39.78 38.61 2gas n ASN 52 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2gas h PRO 53 N 9.34 0.37 -0.13 1.20 0.13 -1.94 -2.12 132.00 138.85 2gas h PRO 53 Ca -0.46 -0.14 -0.08 0.00 -0.87 0.00 0.00 66.00 64.46 2gas h PRO 53 Cb 1.29 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 2gas h PRO 53 CO 0.96 0.61 -0.22 0.93 -0.23 0.00 0.00 178.00 180.05 2gas h GLU 54 N 0.33 0.37 -0.28 0.86 5.08 -1.99 -1.75 114.58 117.20 2gas h GLU 54 Ca 0.05 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 2gas h GLU 54 Cb 0.64 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2gas h GLU 54 CO 0.05 0.82 0.08 1.15 -1.00 0.00 0.00 179.01 180.11 2gas h THR 55 N -0.04 1.20 0.17 1.13 2.02 -1.95 -0.26 112.91 115.18 2gas h THR 55 Ca 0.01 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 2gas h THR 55 Cb 0.79 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 2gas h THR 55 CO 0.05 0.21 -0.08 0.50 0.37 0.00 0.00 175.52 176.57 2gas h LYS 56 N 0.29 -0.23 -0.11 6.66 3.64 -1.43 -0.80 116.57 124.59 2gas h LYS 56 Ca 0.09 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 2gas h LYS 56 Cb 0.25 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 2gas h LYS 56 CO -0.00 -0.14 0.01 1.49 -2.27 0.00 0.00 179.45 178.53 2gas h GLU 57 N -0.24 0.05 -0.58 1.90 4.22 -1.26 -0.03 114.58 118.63 2gas h GLU 57 Ca -0.02 -0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.40 2gas h GLU 57 Cb 0.18 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2gas h GLU 57 CO 0.04 0.03 0.33 0.93 -2.18 0.00 0.00 179.01 178.16 2gas h GLU 58 N 0.05 0.80 -0.09 1.92 5.08 -0.95 -1.25 114.58 120.15 2gas h GLU 58 Ca 0.05 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2gas h GLU 58 Cb 0.05 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 2gas h GLU 58 CO -0.08 0.60 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.44 2gas h LEU 59 N 0.78 0.17 -0.79 1.33 4.07 -0.95 -1.93 115.31 118.00 2gas h LEU 59 Ca 0.21 -0.37 -0.00 0.00 0.08 0.00 0.00 57.88 57.79 2gas h LEU 59 Cb 0.02 -0.05 -0.04 0.00 1.08 0.00 0.00 40.66 41.68 2gas h LEU 59 CO -0.04 0.51 0.49 0.40 -1.08 0.00 0.00 178.44 178.73 2gas h ILE 60 N -0.16 1.22 -0.54 1.22 1.08 -0.94 0.83 117.51 120.22 2gas h ILE 60 Ca 0.02 -0.45 -0.02 0.00 -0.39 0.00 0.00 64.86 64.02 2gas h ILE 60 Cb 0.43 0.09 -0.02 0.00 -3.07 0.00 0.00 36.82 34.25 2gas h ILE 60 CO 0.01 0.22 0.26 0.44 -0.69 0.00 0.00 178.15 178.39 2gas h ASP 61 N 1.08 0.70 -0.31 1.72 3.32 -1.22 -1.06 116.42 120.65 2gas h ASP 61 Ca 0.29 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 2gas h ASP 61 Cb -0.07 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 2gas h ASP 61 CO -0.06 0.63 0.17 -1.13 -1.72 0.00 0.00 179.24 177.14 2gas h ASN 62 N 0.72 0.39 -0.29 6.45 -0.73 -0.79 -1.37 115.58 119.96 2gas h ASN 62 Ca 0.18 -0.09 0.03 0.00 1.87 0.00 0.00 56.30 58.30 2gas h ASN 62 Cb 0.12 -0.10 -0.03 0.00 0.27 0.00 0.00 38.32 38.57 2gas h ASN 62 CO -0.02 0.36 0.09 1.88 -0.37 0.00 0.00 177.43 179.37 2gas h TYR 63 N 0.39 0.16 -0.45 0.67 0.99 -0.57 -2.15 116.97 116.00 2gas h TYR 63 Ca 0.11 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.82 2gas h TYR 63 Cb 0.06 -0.03 -0.02 0.00 1.00 0.00 0.00 36.73 37.74 2gas h TYR 63 CO -0.03 0.06 0.13 1.96 -0.00 0.00 0.00 178.16 180.28 2gas h GLN 64 N 0.21 0.67 0.00 4.88 4.20 -1.01 -0.86 115.11 123.20 2gas h GLN 64 Ca 0.13 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 2gas h GLN 64 Cb 0.11 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 2gas h GLN 64 CO -0.15 0.59 -0.01 0.66 -0.67 0.00 0.00 178.83 179.26 2gas h SER 65 N 0.65 0.00 0.03 1.46 4.64 -0.65 -2.34 113.55 117.35 2gas h SER 65 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2gas h SER 65 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2gas h SER 65 CO -0.01 0.01 -0.19 0.18 -0.87 0.00 0.00 176.83 175.95 2gas n LEU 66 N -3.10 1.98 0.00 5.97 4.77 -0.54 -4.95 117.00 121.12 2gas n LEU 66 Ca -0.00 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 2gas n LEU 66 Cb 0.26 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2gas n LEU 66 CO 0.26 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 2gas n GLY 67 N 1.33 0.81 3.74 -0.72 0.00 -0.88 -5.05 105.19 104.43 2gas n GLY 67 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2gas n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gas s VAL 68 N -2.13 2.84 -0.22 1.61 1.01 -0.44 -4.73 120.40 118.35 2gas s VAL 68 Ca 0.00 0.71 -0.16 0.00 0.00 0.00 0.00 61.98 62.53 2gas s VAL 68 Cb 0.00 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 2gas s VAL 68 CO 0.00 0.12 0.43 -0.63 0.00 0.00 0.00 175.10 175.01 2gas s ILE 69 N -0.06 5.16 -0.22 2.22 1.09 0.18 -4.41 121.20 125.17 2gas s ILE 69 Ca 0.58 0.75 -0.19 0.00 -1.10 0.00 0.00 60.65 60.68 2gas s ILE 69 Cb -0.40 -3.75 -0.03 0.00 -1.06 0.00 0.00 42.46 37.22 2gas s ILE 69 CO 0.42 0.20 0.56 -0.76 -0.10 0.00 0.00 174.94 175.27 2gas s LEU 70 N 1.60 4.12 -0.19 2.97 1.43 -1.26 -1.14 118.68 126.20 2gas s LEU 70 Ca 0.19 0.69 -0.07 0.00 -1.03 0.00 0.00 54.13 53.92 2gas s LEU 70 Cb -0.15 -2.77 -0.04 0.00 0.03 0.00 0.00 46.19 43.27 2gas s LEU 70 CO 0.09 -0.25 0.04 -0.76 0.23 0.00 0.00 176.35 175.70 2gas s LEU 71 N 1.95 3.60 -0.07 1.79 1.43 -0.42 -4.95 118.68 122.02 2gas s LEU 71 Ca 0.25 -0.03 -0.30 0.00 -1.03 0.00 0.00 54.13 53.02 2gas s LEU 71 Cb -0.16 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 2gas s LEU 71 CO 0.10 0.12 0.99 -0.70 0.23 0.00 0.00 176.35 177.09 2gas s GLU 72 N 0.68 4.47 0.00 1.70 2.12 -1.26 -1.56 118.70 124.85 2gas s GLU 72 Ca 0.02 1.39 0.00 0.00 0.36 0.00 0.00 54.97 56.74 2gas s GLU 72 Cb -0.13 -3.51 0.00 0.00 0.26 0.00 0.00 34.13 30.74 2gas s GLU 72 CO 0.02 -0.21 0.00 0.41 -0.54 0.00 0.00 175.26 174.93 2gas n GLY 73 N 3.03 1.05 2.86 -1.50 0.00 -0.99 -4.86 105.19 104.78 2gas n GLY 73 Ca 0.08 -0.88 -0.16 0.00 0.00 0.00 0.00 46.02 45.05 2gas n GLY 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gas s ASP 74 N 0.00 0.44 0.58 1.61 2.15 -1.26 -3.70 116.67 116.49 2gas s ASP 74 Ca 0.00 -0.05 0.32 0.00 0.43 0.00 0.00 52.55 53.25 2gas s ASP 74 Cb 0.00 -0.17 1.40 0.00 -0.30 0.00 0.00 42.92 43.84 2gas s ASP 74 CO 0.00 -0.04 1.73 0.40 -0.17 0.00 0.00 175.17 177.09 2gas h ILE 75 N 5.81 0.29 -0.33 4.11 1.08 -1.99 0.97 117.51 127.45 2gas h ILE 75 Ca -0.37 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.10 2gas h ILE 75 Cb 1.16 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 35.31 2gas h ILE 75 CO 0.49 0.00 0.00 0.59 -0.69 0.00 0.00 178.15 178.54 2gas n ASN 76 N -3.77 2.33 -3.92 1.72 4.13 -1.26 -4.56 115.26 109.93 2gas n ASN 76 Ca 0.18 -1.89 -0.30 0.00 1.68 0.00 0.00 54.58 54.26 2gas n ASN 76 Cb 1.08 -0.22 -0.14 0.00 -1.54 0.00 0.00 39.78 38.97 2gas n ASN 76 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2gas s ASP 77 N -1.31 4.35 0.27 6.41 3.68 0.33 -5.00 116.67 125.41 2gas s ASP 77 Ca 0.33 -3.17 -0.04 0.00 2.13 0.00 0.00 52.55 51.80 2gas s ASP 77 Cb 0.18 -1.59 0.54 0.00 -1.45 0.00 0.00 42.92 40.59 2gas s ASP 77 CO 0.25 -0.20 1.60 -0.74 0.13 0.00 0.00 175.17 176.21 2gas h HIS 78 N 6.28 -0.14 -0.39 -5.34 -0.00 -1.80 -1.29 115.15 112.47 2gas h HIS 78 Ca -0.03 0.07 0.04 0.00 -0.00 0.00 0.00 60.37 60.45 2gas h HIS 78 Cb 0.86 0.20 -0.04 0.00 -0.00 0.00 0.00 27.41 28.43 2gas h HIS 78 CO 0.55 -0.34 0.16 0.93 -0.00 0.00 0.00 177.93 179.23 2gas h GLU 79 N 0.05 0.32 -0.38 5.26 5.08 -1.94 -0.57 114.58 122.40 2gas h GLU 79 Ca 0.48 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.73 2gas h GLU 79 Cb 0.88 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 2gas h GLU 79 CO -0.81 0.21 -0.15 1.79 -1.00 0.00 0.00 179.01 179.06 2gas h THR 80 N 0.33 1.26 0.29 1.13 1.35 -1.61 -2.00 112.91 113.65 2gas h THR 80 Ca 0.17 -1.18 -0.01 0.00 -0.55 0.00 0.00 66.41 64.83 2gas h THR 80 Cb 0.12 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 2gas h THR 80 CO -0.15 0.40 -0.14 -0.07 -0.25 0.00 0.00 175.52 175.31 2gas h LEU 81 N 0.63 -0.33 -0.63 3.87 3.38 -0.65 -1.27 115.31 120.31 2gas h LEU 81 Ca 0.10 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.04 2gas h LEU 81 Cb 0.61 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 2gas h LEU 81 CO 0.04 -0.16 0.41 0.58 0.09 0.00 0.00 178.44 179.40 2gas h VAL 82 N -0.47 1.13 -0.91 1.22 2.07 -1.08 -0.76 116.25 117.44 2gas h VAL 82 Ca -0.04 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.21 2gas h VAL 82 Cb 0.35 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 2gas h VAL 82 CO 0.06 0.15 0.59 0.50 0.02 0.00 0.00 177.57 178.90 2gas h LYS 83 N 0.82 1.21 -0.07 1.57 3.64 -1.24 -1.30 116.57 121.20 2gas h LYS 83 Ca 0.24 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 2gas h LYS 83 Cb -0.06 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.50 2gas h LYS 83 CO -0.07 0.81 -0.13 0.00 -2.27 0.00 0.00 179.45 177.79 2gas h ALA 84 N 1.41 0.11 -0.32 5.00 0.00 -0.83 -3.26 119.26 121.37 2gas h ALA 84 Ca 0.33 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2gas h ALA 84 Cb -0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2gas h ALA 84 CO -0.07 -0.00 0.15 0.82 0.00 0.00 0.00 179.25 180.15 2gas h ILE 85 N -0.28 1.11 0.00 0.00 2.04 -0.95 -1.71 117.51 117.74 2gas h ILE 85 Ca 0.00 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.54 2gas h ILE 85 Cb 0.71 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2gas h ILE 85 CO 0.03 0.13 0.00 0.11 0.00 0.00 0.00 178.15 178.42 2gas h LYS 86 N 0.44 0.00 -0.01 2.37 1.57 -1.28 -2.42 116.57 117.25 2gas h LYS 86 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2gas h LYS 86 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2gas h LYS 86 CO -0.02 0.00 -0.31 1.04 -0.57 0.00 0.00 179.45 179.60 2gas n GLN 87 N -2.67 0.74 -4.61 3.15 6.02 -0.64 -4.96 117.38 114.42 2gas n GLN 87 Ca -0.01 -0.45 -0.28 0.00 -0.01 0.00 0.00 57.00 56.25 2gas n GLN 87 Cb 0.15 -1.49 -0.08 0.00 1.02 0.00 0.00 30.24 29.84 2gas n GLN 87 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2gas s VAL 88 N -2.57 0.80 -0.13 5.09 -7.23 -0.91 -4.98 120.40 110.48 2gas s VAL 88 Ca 0.22 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.41 2gas s VAL 88 Cb 0.19 -2.28 -0.09 0.00 0.56 0.00 0.00 36.38 34.76 2gas s VAL 88 CO 0.55 0.00 -0.09 0.47 -0.31 0.00 0.00 175.10 175.72 2gas n ASP 89 N -1.31 2.90 -4.21 4.85 10.43 0.03 -4.71 116.55 124.53 2gas n ASP 89 Ca -0.11 -0.06 -0.29 0.00 2.57 0.00 0.00 54.79 56.90 2gas n ASP 89 Cb 0.66 -0.06 -0.16 0.00 1.84 0.00 0.00 41.12 43.40 2gas n ASP 89 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 2gas s ILE 90 N -2.26 1.77 -0.15 0.53 1.01 -0.40 -0.40 121.20 121.30 2gas s ILE 90 Ca -0.16 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.60 2gas s ILE 90 Cb 0.04 -1.50 0.00 0.00 0.01 0.00 0.00 42.46 41.01 2gas s ILE 90 CO 0.32 0.50 -0.19 -0.69 0.00 0.00 0.00 174.94 174.88 2gas s VAL 91 N -0.09 2.36 -0.19 2.92 1.01 -0.59 -0.45 120.40 125.38 2gas s VAL 91 Ca -0.03 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.08 2gas s VAL 91 Cb -0.13 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.30 2gas s VAL 91 CO 0.03 0.53 -0.17 -0.63 0.00 0.00 0.00 175.10 174.86 2gas s ILE 92 N 0.81 2.22 -0.74 2.22 1.01 -0.00 -0.41 121.20 126.30 2gas s ILE 92 Ca -0.06 -0.98 -0.17 0.00 0.00 0.00 0.00 60.65 59.44 2gas s ILE 92 Cb -0.15 -1.98 0.15 0.00 0.01 0.00 0.00 42.46 40.48 2gas s ILE 92 CO -0.01 0.46 0.82 0.00 0.00 0.00 0.00 174.94 176.21 2gas s ALA 94 N 1.89 3.57 0.44 0.00 0.00 -0.73 -3.14 121.76 123.79 2gas s ALA 94 Ca 0.18 1.14 -0.25 0.00 0.00 0.00 0.00 51.96 53.02 2gas s ALA 94 Cb -0.16 -3.52 -0.08 0.00 0.00 0.00 0.00 23.12 19.37 2gas s ALA 94 CO -0.02 -0.59 1.41 0.00 0.00 0.00 0.00 175.76 176.55 2gas s ALA 95 N 0.57 3.24 0.00 0.00 0.00 -1.26 -4.68 121.76 119.63 2gas s ALA 95 Ca 0.61 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.99 2gas s ALA 95 Cb -0.37 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.18 2gas s ALA 95 CO 0.35 -1.13 0.00 0.41 0.00 0.00 0.00 175.76 175.39 2gas n GLY 96 N 0.59 -0.53 0.26 0.00 0.00 -1.26 -4.42 105.19 99.83 2gas n GLY 96 Ca 0.05 -0.04 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2gas n GLY 96 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2gas h ARG 97 N 0.00 0.44 -6.86 1.61 2.43 -1.96 -3.44 114.38 106.60 2gas h ARG 97 Ca 0.00 -0.09 -0.54 0.00 -0.81 0.00 0.00 59.98 58.54 2gas h ARG 97 Cb 0.00 -0.06 0.10 0.00 -0.42 0.00 0.00 29.97 29.58 2gas h ARG 97 CO 0.00 0.49 0.81 1.28 -1.51 0.00 0.00 179.97 181.04 2gas n LEU 98 N -4.29 4.50 -4.75 3.80 4.77 -1.26 -4.95 117.00 114.82 2gas n LEU 98 Ca 0.01 1.19 -0.40 0.00 -0.03 0.00 0.00 56.01 56.77 2gas n LEU 98 Cb 0.24 -1.60 -0.05 0.00 -2.33 0.00 0.00 43.42 39.69 2gas n LEU 98 CO 0.38 0.12 0.76 -0.76 -1.33 0.00 0.00 177.39 176.56 2gas s LEU 99 N -1.24 4.55 0.15 2.23 1.43 -1.26 -4.95 118.68 119.58 2gas s LEU 99 Ca 0.59 2.12 -0.17 0.00 -1.03 0.00 0.00 54.13 55.63 2gas s LEU 99 Cb -0.49 -3.61 0.05 0.00 0.03 0.00 0.00 46.19 42.16 2gas s LEU 99 CO 0.56 -0.10 1.71 0.40 0.23 0.00 0.00 176.35 179.16 2gas h ILE 100 N 3.35 0.79 0.00 -0.59 1.08 -1.95 -1.88 117.51 118.32 2gas h ILE 100 Ca -0.45 -0.04 -0.00 0.00 -0.39 0.00 0.00 64.86 63.98 2gas h ILE 100 Cb 1.21 0.67 -0.00 0.00 -3.07 0.00 0.00 36.82 35.63 2gas h ILE 100 CO 0.69 0.02 -0.00 1.05 -0.69 0.00 0.00 178.15 179.22 2gas h GLU 101 N 0.11 0.00 0.00 2.37 9.09 -1.92 -1.85 114.58 122.37 2gas h GLU 101 Ca 0.15 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.56 2gas h GLU 101 Cb 0.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.29 2gas h GLU 101 CO -0.24 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.58 2gas n ASP 102 N -3.38 0.00 0.06 3.06 8.00 -0.71 -2.54 116.55 121.04 2gas n ASP 102 Ca -0.03 0.30 0.08 0.00 0.71 0.00 0.00 54.79 55.86 2gas n ASP 102 Cb 0.08 -0.41 0.36 0.00 -0.02 0.00 0.00 41.12 41.13 2gas n ASP 102 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gas n GLN 103 N -1.41 0.08 -0.22 -1.24 6.02 -0.70 -1.21 117.38 118.70 2gas n GLN 103 Ca 0.06 0.38 -0.08 0.00 -0.01 0.00 0.00 57.00 57.34 2gas n GLN 103 Cb 0.18 -1.67 0.04 0.00 1.02 0.00 0.00 30.24 29.81 2gas n GLN 103 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2gas h VAL 104 N 0.00 1.26 -0.40 5.09 2.07 -1.73 0.18 116.25 122.72 2gas h VAL 104 Ca 0.00 -1.10 -0.13 0.00 0.82 0.00 0.00 66.70 66.29 2gas h VAL 104 Cb 0.24 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2gas h VAL 104 CO 0.00 0.41 -0.27 0.11 0.02 0.00 0.00 177.57 177.84 2gas h LYS 105 N 1.01 0.84 -0.53 1.57 1.57 -1.39 -1.82 116.57 117.82 2gas h LYS 105 Ca 0.19 -0.37 -0.06 0.00 -1.87 0.00 0.00 60.65 58.54 2gas h LYS 105 Cb 0.50 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 2gas h LYS 105 CO 0.02 1.01 0.09 0.82 -0.57 0.00 0.00 179.45 180.82 2gas h ILE 106 N 0.72 1.25 -0.66 1.86 1.08 -1.27 -2.02 117.51 118.47 2gas h ILE 106 Ca 0.09 -0.93 -0.06 0.00 -0.39 0.00 0.00 64.86 63.56 2gas h ILE 106 Cb 0.81 0.84 -0.03 0.00 -3.07 0.00 0.00 36.82 35.37 2gas h ILE 106 CO 0.07 0.34 0.17 0.40 -0.69 0.00 0.00 178.15 178.44 2gas h ILE 107 N 0.75 1.25 -0.53 -0.67 1.08 -0.85 0.00 117.51 118.55 2gas h ILE 107 Ca 0.16 -0.91 -0.00 0.00 -0.39 0.00 0.00 64.86 63.72 2gas h ILE 107 Cb 0.39 0.56 -0.03 0.00 -3.07 0.00 0.00 36.82 34.67 2gas h ILE 107 CO 0.01 0.35 0.32 0.50 -0.69 0.00 0.00 178.15 178.64 2gas h LYS 108 N 0.99 0.71 -0.55 2.37 3.64 -1.10 -0.39 116.57 122.25 2gas h LYS 108 Ca 0.21 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.44 2gas h LYS 108 Cb 0.33 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 2gas h LYS 108 CO -0.00 0.51 -0.01 0.00 -2.27 0.00 0.00 179.45 177.68 2gas h ALA 109 N 1.16 0.94 -0.41 5.00 0.00 -0.92 -2.31 119.26 122.72 2gas h ALA 109 Ca 0.19 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2gas h ALA 109 Cb -0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2gas h ALA 109 CO -0.04 0.63 0.22 0.82 0.00 0.00 0.00 179.25 180.89 2gas h ILE 110 N 0.87 1.16 -0.85 0.00 1.08 -0.53 -1.09 117.51 118.15 2gas h ILE 110 Ca 0.16 -0.43 -0.00 0.00 -0.39 0.00 0.00 64.86 64.20 2gas h ILE 110 Cb 0.53 0.69 -0.04 0.00 -3.07 0.00 0.00 36.82 34.93 2gas h ILE 110 CO 0.03 0.17 0.53 0.11 -0.69 0.00 0.00 178.15 178.29 2gas h LYS 111 N 0.53 1.15 -0.43 2.37 1.79 -0.91 -0.65 116.57 120.42 2gas h LYS 111 Ca 0.14 -0.10 -0.11 0.00 -2.18 0.00 0.00 60.65 58.40 2gas h LYS 111 Cb 0.08 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.47 2gas h LYS 111 CO -0.02 0.80 -0.18 1.49 -1.08 0.00 0.00 179.45 180.45 2gas h GLU 112 N 1.17 0.87 -0.25 3.15 4.81 -1.17 -3.10 114.58 120.05 2gas h GLU 112 Ca 0.31 -0.37 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2gas h GLU 112 Cb -0.07 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2gas h GLU 112 CO -0.06 1.01 0.15 0.00 -0.73 0.00 0.00 179.01 179.39 2gas h ALA 113 N 0.83 0.32 0.00 2.92 0.00 -0.86 -3.46 119.26 119.01 2gas h ALA 113 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2gas h ALA 113 Cb 0.74 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2gas h ALA 113 CO 0.06 -0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.54 2gas n GLY 114 N -1.05 1.29 0.61 0.00 0.00 -0.28 -4.84 105.19 100.92 2gas n GLY 114 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.11 2gas n GLY 114 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2gas n ASN 115 N 0.00 2.26 -4.68 1.61 6.94 -1.26 -4.98 115.26 115.13 2gas n ASN 115 Ca 0.00 -1.63 -0.42 0.00 -0.02 0.00 0.00 54.58 52.51 2gas n ASN 115 Cb 0.00 0.33 -0.03 0.00 -2.36 0.00 0.00 39.78 37.72 2gas n ASN 115 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2gas s VAL 116 N -2.34 3.15 -0.34 3.53 1.01 -1.26 -4.82 120.40 119.33 2gas s VAL 116 Ca 0.22 0.55 0.23 0.00 0.00 0.00 0.00 61.98 62.97 2gas s VAL 116 Cb 0.19 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 2gas s VAL 116 CO 0.49 -0.01 1.02 0.29 0.00 0.00 0.00 175.10 176.89 2gas n LYS 117 N 5.81 0.51 -3.64 2.72 5.02 0.47 -4.74 118.16 124.30 2gas n LYS 117 Ca 0.16 0.06 -0.06 0.00 -2.02 0.00 0.00 58.31 56.45 2gas n LYS 117 Cb 0.41 -1.73 -0.07 0.00 -0.02 0.00 0.00 35.03 33.62 2gas n LYS 117 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2gas s LYS 118 N -3.32 0.47 -0.11 1.97 2.20 -1.20 -4.74 119.74 115.01 2gas s LYS 118 Ca 0.00 0.70 0.03 0.00 -0.36 0.00 0.00 55.97 56.35 2gas s LYS 118 Cb 0.11 0.16 0.01 0.00 -1.51 0.00 0.00 37.83 36.60 2gas s LYS 118 CO 0.80 -0.08 -0.21 0.12 -0.36 0.00 0.00 175.35 175.61 2gas s PHE 119 N 0.91 2.39 -0.42 4.03 5.36 0.33 -1.54 117.98 129.04 2gas s PHE 119 Ca -0.04 -1.04 -0.09 0.00 -0.96 0.00 0.00 56.93 54.80 2gas s PHE 119 Cb -0.04 -1.62 0.08 0.00 -0.34 0.00 0.00 43.02 41.09 2gas s PHE 119 CO -0.12 -0.45 0.26 -0.06 -1.46 0.00 0.00 175.22 173.40 2gas s PHE 120 N 0.55 3.34 1.03 10.12 0.40 0.45 -2.23 117.98 131.64 2gas s PHE 120 Ca -0.15 -1.51 -0.16 0.00 -0.60 0.00 0.00 56.93 54.51 2gas s PHE 120 Cb -0.17 -2.97 0.21 0.00 0.51 0.00 0.00 43.02 40.60 2gas s PHE 120 CO 0.05 -0.85 1.17 -1.25 0.70 0.00 0.00 175.22 175.05 2gas s PRO 121 N 1.43 0.18 -1.17 0.24 0.04 -1.26 -0.49 135.00 133.97 2gas s PRO 121 Ca 0.03 0.00 -0.21 0.00 0.04 0.00 0.00 61.00 60.86 2gas s PRO 121 Cb -0.23 -1.75 -0.06 0.00 0.04 0.00 0.00 34.50 32.50 2gas s PRO 121 CO 0.02 -2.79 1.90 0.45 0.04 0.00 0.00 177.00 176.62 2gas n SER 122 N -4.12 3.47 0.00 6.66 2.88 -1.19 -4.61 113.62 116.71 2gas n SER 122 Ca 0.11 -2.75 0.00 0.00 -1.33 0.00 0.00 58.87 54.89 2gas n SER 122 Cb 0.59 -1.65 0.00 0.00 -0.75 0.00 0.00 64.21 62.40 2gas n SER 122 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2gas n GLU 123 N 8.03 0.00 -3.76 -1.46 -0.58 -1.26 -4.90 120.64 116.71 2gas n GLU 123 Ca 0.47 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.95 2gas n GLU 123 Cb 0.45 0.00 0.05 0.00 -0.57 0.00 0.00 31.44 31.37 2gas n GLU 123 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2gas n PHE 124 N 0.00 -2.41 -0.66 -0.32 3.01 0.21 -4.87 117.46 112.42 2gas n PHE 124 Ca 0.00 0.93 0.00 0.00 1.01 0.00 0.00 57.45 59.39 2gas n PHE 124 Cb 0.00 -4.42 0.00 0.00 -0.01 0.00 0.00 39.48 35.05 2gas n PHE 124 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2gas n GLY 125 N -1.73 3.93 3.74 1.37 0.00 -1.25 -4.67 105.19 106.57 2gas n GLY 125 Ca -0.04 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 2gas n GLY 125 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2gas s LEU 126 N 0.00 1.71 -0.55 0.99 2.34 -1.26 -0.98 118.68 120.93 2gas s LEU 126 Ca 0.00 0.79 -0.27 0.00 0.06 0.00 0.00 54.13 54.71 2gas s LEU 126 Cb 0.00 -2.89 0.03 0.00 -0.56 0.00 0.00 46.19 42.77 2gas s LEU 126 CO 0.00 -3.08 1.11 -0.62 -1.06 0.00 0.00 176.35 172.70 2gas s ASP 127 N -4.06 6.46 0.00 1.48 -1.08 -1.26 -4.84 116.67 113.36 2gas s ASP 127 Ca 0.68 0.06 0.08 0.00 -0.52 0.00 0.00 52.55 52.85 2gas s ASP 127 Cb -0.12 -2.52 0.41 0.00 -1.46 0.00 0.00 42.92 39.23 2gas s ASP 127 CO 0.55 -1.36 1.15 1.33 0.52 0.00 0.00 175.17 177.35 2gas n VAL 128 N 6.58 0.92 0.76 1.11 0.24 -1.26 -0.61 118.33 126.07 2gas n VAL 128 Ca 0.07 0.23 0.12 0.00 -2.04 0.00 0.00 64.34 62.72 2gas n VAL 128 Cb 0.49 -1.09 0.23 0.00 -1.47 0.00 0.00 33.84 31.99 2gas n VAL 128 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2gas n ASP 129 N -1.32 2.91 -3.30 -1.34 10.43 -1.26 -4.54 116.55 118.12 2gas n ASP 129 Ca 0.04 -1.92 -0.25 0.00 2.57 0.00 0.00 54.79 55.23 2gas n ASP 129 Cb 0.07 -0.13 -0.08 0.00 1.84 0.00 0.00 41.12 42.82 2gas n ASP 129 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2gas n ARG 130 N 1.18 0.95 -3.93 -1.24 1.74 0.22 -5.11 116.66 110.47 2gas n ARG 130 Ca 0.17 -3.51 -0.09 0.00 -0.77 0.00 0.00 57.85 53.65 2gas n ARG 130 Cb 0.55 -1.52 -0.07 0.00 -1.02 0.00 0.00 32.46 30.40 2gas n ARG 130 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2gas s HIS 131 N -1.16 0.33 -0.22 -1.55 -3.43 -1.26 -4.69 115.29 103.31 2gas s HIS 131 Ca 0.35 -0.70 0.22 0.00 -0.80 0.00 0.00 55.06 54.12 2gas s HIS 131 Cb 0.13 -0.03 0.49 0.00 -1.43 0.00 0.00 32.58 31.74 2gas s HIS 131 CO -0.11 -0.70 1.13 -0.25 -2.00 0.00 0.00 174.74 172.80 2gas n ASP 132 N -0.20 1.80 -4.78 7.38 8.00 -1.26 -5.11 116.55 122.38 2gas n ASP 132 Ca -0.09 -2.22 -0.30 0.00 0.71 0.00 0.00 54.79 52.89 2gas n ASP 132 Cb 0.63 -0.44 0.09 0.00 -0.02 0.00 0.00 41.12 41.38 2gas n ASP 132 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gas s ALA 133 N -3.18 2.17 0.33 2.24 0.00 -1.26 -4.99 121.76 117.08 2gas s ALA 133 Ca 0.31 0.04 0.08 0.00 0.00 0.00 0.00 51.96 52.39 2gas s ALA 133 Cb 0.34 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.22 2gas s ALA 133 CO -0.05 -1.78 0.12 0.14 0.00 0.00 0.00 175.76 174.18 2gas s VAL 134 N -3.00 3.08 0.74 0.00 -7.23 -1.26 -4.69 120.40 108.04 2gas s VAL 134 Ca 0.61 -1.73 -0.13 0.00 -1.81 0.00 0.00 61.98 58.92 2gas s VAL 134 Cb -0.16 -2.96 0.04 0.00 0.56 0.00 0.00 36.38 33.86 2gas s VAL 134 CO 0.56 -0.21 1.14 -1.61 -0.31 0.00 0.00 175.10 174.66 2gas s GLU 135 N -3.82 2.25 0.00 4.82 0.41 -1.26 -1.80 118.70 119.30 2gas s GLU 135 Ca 0.37 1.45 0.29 0.00 -0.41 0.00 0.00 54.97 56.68 2gas s GLU 135 Cb -0.03 -1.88 1.37 0.00 -1.78 0.00 0.00 34.13 31.82 2gas s GLU 135 CO 0.22 -1.69 1.93 -0.35 -0.49 0.00 0.00 175.26 174.89 2gas n PRO 136 N -3.01 1.23 0.12 0.39 -0.04 -1.26 -4.80 135.00 127.62 2gas n PRO 136 Ca 0.11 -0.48 -0.02 0.00 -0.04 0.00 0.00 63.50 63.07 2gas n PRO 136 Cb 0.52 -1.49 0.10 0.00 -0.04 0.00 0.00 33.50 32.59 2gas n PRO 136 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2gas h VAL 137 N 1.17 1.47 -0.71 0.52 3.04 -1.78 -3.26 116.25 116.70 2gas h VAL 137 Ca 0.00 -2.44 0.13 0.00 -1.01 0.00 0.00 66.70 63.38 2gas h VAL 137 Cb 0.30 2.33 -0.09 0.00 -2.01 0.00 0.00 31.29 31.82 2gas h VAL 137 CO 0.00 0.69 0.27 -0.09 -1.01 0.00 0.00 177.57 177.43 2gas h ARG 138 N 0.00 0.41 -0.33 4.17 2.43 -1.63 -1.17 114.38 118.25 2gas h ARG 138 Ca -0.01 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 2gas h ARG 138 Cb 1.27 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 2gas h ARG 138 CO 0.09 0.27 0.04 0.37 -1.51 0.00 0.00 179.97 179.24 2gas h GLN 139 N 0.42 0.50 -0.45 0.20 5.75 -1.86 -0.98 115.11 118.69 2gas h GLN 139 Ca 0.38 -0.09 -0.11 0.00 -0.15 0.00 0.00 58.65 58.68 2gas h GLN 139 Cb 0.54 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.00 2gas h GLN 139 CO -0.38 0.49 -0.14 0.28 -2.65 0.00 0.00 178.83 176.43 2gas h VAL 140 N 0.49 1.27 -0.58 2.39 2.07 -1.37 -0.71 116.25 119.81 2gas h VAL 140 Ca 0.11 -1.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.32 2gas h VAL 140 Cb 0.25 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2gas h VAL 140 CO 0.00 0.43 0.20 -0.26 0.02 0.00 0.00 177.57 177.97 2gas h PHE 141 N 0.72 0.91 -0.12 1.57 0.05 -1.03 -2.34 116.94 116.70 2gas h PHE 141 Ca 0.11 -0.08 -0.06 0.00 3.82 0.00 0.00 57.97 61.75 2gas h PHE 141 Cb 0.70 -0.27 -0.01 0.00 2.00 0.00 0.00 35.95 38.37 2gas h PHE 141 CO 0.05 0.75 -0.20 0.93 -0.18 0.00 0.00 178.31 179.66 2gas h GLU 142 N 0.81 0.20 -0.58 1.51 4.39 -1.00 -0.91 114.58 118.99 2gas h GLU 142 Ca 0.19 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.74 2gas h GLU 142 Cb 0.25 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 2gas h GLU 142 CO -0.01 0.40 0.01 1.49 -1.16 0.00 0.00 179.01 179.75 2gas h GLU 143 N 0.19 1.00 -0.31 2.33 4.81 -0.68 0.03 114.58 121.95 2gas h GLU 143 Ca 0.03 -0.30 -0.15 0.00 -0.13 0.00 0.00 59.36 58.82 2gas h GLU 143 Cb 0.47 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2gas h GLU 143 CO 0.03 0.97 -0.40 0.87 -0.73 0.00 0.00 179.01 179.75 2gas h LYS 144 N 0.92 0.75 -0.56 1.92 1.57 -0.90 -2.59 116.57 117.68 2gas h LYS 144 Ca 0.17 -0.39 -0.05 0.00 -1.87 0.00 0.00 60.65 58.51 2gas h LYS 144 Cb 0.51 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 2gas h LYS 144 CO 0.03 1.01 0.16 0.00 -0.57 0.00 0.00 179.45 180.08 2gas h ALA 145 N 0.93 1.24 -0.69 3.86 0.00 -0.80 -1.89 119.26 121.91 2gas h ALA 145 Ca 0.05 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2gas h ALA 145 Cb 0.95 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2gas h ALA 145 CO 0.09 0.53 0.29 0.77 0.00 0.00 0.00 179.25 180.93 2gas h SER 146 N 0.81 0.93 -0.37 0.00 0.02 -0.74 -1.69 113.55 112.51 2gas h SER 146 Ca 0.18 -0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 60.94 2gas h SER 146 Cb 0.26 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 2gas h SER 146 CO -0.01 0.82 -0.01 0.40 -1.14 0.00 0.00 176.83 176.90 2gas h ILE 147 N 1.00 1.24 -0.62 3.27 2.04 -1.01 -1.92 117.51 121.51 2gas h ILE 147 Ca 0.24 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 65.12 2gas h ILE 147 Cb 0.17 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 2gas h ILE 147 CO -0.02 0.35 0.40 0.03 0.00 0.00 0.00 178.15 178.91 2gas h ARG 148 N 0.71 0.82 -0.74 2.37 3.08 -0.58 -1.13 114.38 118.90 2gas h ARG 148 Ca 0.14 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 2gas h ARG 148 Cb 0.44 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 2gas h ARG 148 CO 0.02 0.55 0.42 0.00 -1.07 0.00 0.00 179.97 179.89 2gas h ARG 149 N 0.84 1.02 -0.15 0.04 2.47 -0.79 -0.17 114.38 117.63 2gas h ARG 149 Ca 0.23 -0.10 -0.02 0.00 -1.26 0.00 0.00 59.98 58.82 2gas h ARG 149 Cb -0.09 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.02 2gas h ARG 149 CO -0.05 0.74 0.02 0.28 0.56 0.00 0.00 179.97 181.51 2gas h VAL 150 N 1.03 1.23 -0.44 2.04 2.07 -0.80 -0.09 116.25 121.30 2gas h VAL 150 Ca 0.26 -0.75 0.05 0.00 0.82 0.00 0.00 66.70 67.08 2gas h VAL 150 Cb -0.00 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 2gas h VAL 150 CO -0.05 0.22 0.18 0.40 0.02 0.00 0.00 177.57 178.35 2gas h ILE 151 N 0.03 0.91 -0.47 4.57 2.04 -0.80 0.16 117.51 123.95 2gas h ILE 151 Ca 0.05 -0.13 -0.08 0.00 1.00 0.00 0.00 64.86 65.70 2gas h ILE 151 Cb 0.33 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 2gas h ILE 151 CO 0.00 0.07 -0.02 -0.33 0.00 0.00 0.00 178.15 177.88 2gas h GLU 152 N 0.37 0.84 -0.75 2.37 5.08 -0.94 -2.28 114.58 119.27 2gas h GLU 152 Ca 0.20 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 2gas h GLU 152 Cb 0.16 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2gas h GLU 152 CO -0.18 0.90 0.27 0.00 -1.00 0.00 0.00 179.01 179.00 2gas h ALA 153 N 0.91 0.98 0.00 3.43 0.00 -0.67 -2.67 119.26 121.25 2gas h ALA 153 Ca 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2gas h ALA 153 Cb 0.53 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2gas h ALA 153 CO 0.03 0.63 0.00 0.39 0.00 0.00 0.00 179.25 180.30 2gas n GLU 154 N -4.29 0.05 -1.95 0.00 -0.58 0.01 -4.91 120.64 108.97 2gas n GLU 154 Ca 0.06 0.17 -0.07 0.00 -0.42 0.00 0.00 57.16 56.90 2gas n GLU 154 Cb 0.20 -1.58 -0.01 0.00 -0.57 0.00 0.00 31.44 29.49 2gas n GLU 154 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2gas n GLY 155 N 0.72 0.24 3.68 0.62 0.00 -0.90 -5.00 105.19 104.55 2gas n GLY 155 Ca 0.05 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 2gas n GLY 155 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gas s VAL 156 N -2.33 4.91 0.21 1.61 1.01 -0.94 -4.99 120.40 119.88 2gas s VAL 156 Ca 0.00 1.63 -0.32 0.00 0.00 0.00 0.00 61.98 63.29 2gas s VAL 156 Cb 0.00 -4.13 -0.11 0.00 0.00 0.00 0.00 36.38 32.14 2gas s VAL 156 CO 0.00 0.07 1.65 -2.16 0.00 0.00 0.00 175.10 174.67 2gas s PRO 157 N 1.87 4.15 0.24 2.72 0.04 -1.26 -4.73 135.00 138.03 2gas s PRO 157 Ca 0.39 2.52 0.01 0.00 0.04 0.00 0.00 61.00 63.96 2gas s PRO 157 Cb -0.17 -3.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.23 2gas s PRO 157 CO 0.14 -0.69 0.08 1.52 0.04 0.00 0.00 177.00 178.10 2gas s TYR 158 N 1.00 1.45 -0.16 0.56 1.13 -1.26 -0.52 117.35 119.56 2gas s TYR 158 Ca 0.72 -1.17 -0.07 0.00 -1.41 0.00 0.00 57.07 55.14 2gas s TYR 158 Cb -0.48 -0.83 0.07 0.00 -1.10 0.00 0.00 41.96 39.62 2gas s TYR 158 CO 0.34 -0.34 0.35 0.99 -2.51 0.00 0.00 175.55 174.39 2gas s THR 159 N -3.77 -0.25 -0.36 -3.49 2.01 -0.95 0.31 115.64 109.14 2gas s THR 159 Ca 0.35 0.16 -0.12 0.00 0.31 0.00 0.00 61.69 62.39 2gas s THR 159 Cb 0.07 -0.55 0.01 0.00 0.01 0.00 0.00 72.50 72.04 2gas s THR 159 CO 0.12 0.07 0.22 -0.31 -0.69 0.00 0.00 174.62 174.03 2gas s TYR 160 N 1.86 3.22 -0.60 4.92 4.12 -0.74 -4.10 117.35 126.03 2gas s TYR 160 Ca -0.06 -0.58 -0.21 0.00 0.02 0.00 0.00 57.07 56.24 2gas s TYR 160 Cb -0.10 -2.46 0.07 0.00 -1.52 0.00 0.00 41.96 37.95 2gas s TYR 160 CO -0.11 -0.51 0.84 -1.17 0.02 0.00 0.00 175.55 174.62 2gas s LEU 161 N 1.64 4.69 -0.76 -1.29 1.98 -1.26 -0.28 118.68 123.41 2gas s LEU 161 Ca 0.04 -1.00 -0.13 0.00 -2.89 0.00 0.00 54.13 50.15 2gas s LEU 161 Cb -0.18 -2.45 0.20 0.00 0.66 0.00 0.00 46.19 44.41 2gas s LEU 161 CO 0.08 -1.24 0.69 0.00 -1.89 0.00 0.00 176.35 173.99 2gas n HIS 164 N 0.61 0.00 -2.86 0.00 8.25 -0.15 -4.64 115.22 116.43 2gas n HIS 164 Ca 0.17 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.20 2gas n HIS 164 Cb 0.44 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.51 2gas n HIS 164 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gas s ALA 165 N -1.78 3.29 0.26 -1.41 0.00 -0.52 -4.48 121.76 117.12 2gas s ALA 165 Ca 0.00 -0.76 -0.30 0.00 0.00 0.00 0.00 51.96 50.90 2gas s ALA 165 Cb 0.00 -3.57 -0.10 0.00 0.00 0.00 0.00 23.12 19.46 2gas s ALA 165 CO 0.00 -1.91 1.36 -0.06 0.00 0.00 0.00 175.76 175.15 2gas s PHE 166 N 3.57 3.10 0.20 0.00 0.08 -1.26 -1.74 117.98 121.93 2gas s PHE 166 Ca 0.35 1.20 -0.10 0.00 0.12 0.00 0.00 56.93 58.50 2gas s PHE 166 Cb -0.11 -3.71 0.14 0.00 -0.57 0.00 0.00 43.02 38.77 2gas s PHE 166 CO 0.24 -2.19 1.84 1.79 -0.10 0.00 0.00 175.22 176.80 2gas h THR 167 N 3.44 1.21 0.00 0.64 1.35 -1.39 -0.09 112.91 118.07 2gas h THR 167 Ca -0.46 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 2gas h THR 167 Cb 1.22 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 2gas h THR 167 CO 0.74 0.22 0.00 0.61 -0.25 0.00 0.00 175.52 176.84 2gas n GLY 168 N -1.18 -1.10 0.07 5.82 0.00 -1.26 -0.71 105.19 106.84 2gas n GLY 168 Ca 0.07 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 2gas n GLY 168 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2gas n TYR 169 N -2.23 0.00 -0.10 1.61 4.01 -0.87 -4.67 117.16 114.92 2gas n TYR 169 Ca 0.01 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.57 2gas n TYR 169 Cb 0.15 -0.57 -0.06 0.00 -0.31 0.00 0.00 39.34 38.55 2gas n TYR 169 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2gas n PHE 170 N -2.89 0.00 0.08 -0.72 3.01 -0.10 -4.71 117.46 112.13 2gas n PHE 170 Ca -0.26 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.18 2gas n PHE 170 Cb 0.79 -0.69 0.21 0.00 -0.01 0.00 0.00 39.48 39.78 2gas n PHE 170 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 2gas h LEU 171 N -0.90 0.29 -1.18 4.37 5.85 -1.56 -1.39 115.31 120.81 2gas h LEU 171 Ca -0.34 -0.12 0.18 0.00 0.84 0.00 0.00 57.88 58.44 2gas h LEU 171 Cb 1.25 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 42.10 2gas h LEU 171 CO -0.20 0.67 0.61 -0.09 -0.34 0.00 0.00 178.44 179.09 2gas h ARG 172 N 0.24 0.67 -0.13 1.25 2.43 -1.19 -1.45 114.38 116.21 2gas h ARG 172 Ca 0.02 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 2gas h ARG 172 Cb 0.82 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 2gas h ARG 172 CO 0.06 0.44 -0.09 0.27 -1.51 0.00 0.00 179.97 179.15 2gas n ASN 173 N -4.65 2.69 -4.14 -3.80 2.04 -1.23 -1.23 115.26 104.95 2gas n ASN 173 Ca 0.21 -3.31 -0.34 0.00 -0.44 0.00 0.00 54.58 50.70 2gas n ASN 173 Cb 0.57 -0.51 -0.01 0.00 -2.53 0.00 0.00 39.78 37.30 2gas n ASN 173 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 2gas n LEU 174 N -1.09 -1.95 -3.21 -4.53 4.32 -0.55 -1.09 117.00 108.91 2gas n LEU 174 Ca 0.21 -0.95 -0.23 0.00 -0.02 0.00 0.00 56.01 55.02 2gas n LEU 174 Cb 0.78 -2.22 0.01 0.00 -1.62 0.00 0.00 43.42 40.38 2gas n LEU 174 CO 0.07 0.34 -0.02 0.00 -1.22 0.00 0.00 177.39 176.57 2gas n ALA 175 N -4.47 -1.03 -2.85 -1.18 0.00 -0.53 -4.97 120.51 105.48 2gas n ALA 175 Ca 0.06 0.18 -0.37 0.00 0.00 0.00 0.00 53.44 53.31 2gas n ALA 175 Cb 0.50 -3.31 -0.06 0.00 0.00 0.00 0.00 19.45 16.58 2gas n ALA 175 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2gas s GLN 176 N -5.88 3.44 0.42 0.00 -1.52 -0.25 -5.04 119.66 110.84 2gas s GLN 176 Ca 0.36 -0.17 -0.24 0.00 -1.95 0.00 0.00 55.36 53.36 2gas s GLN 176 Cb -0.18 -3.16 -0.08 0.00 -0.22 0.00 0.00 33.01 29.37 2gas s GLN 176 CO 0.44 0.74 1.17 -0.51 -0.25 0.00 0.00 175.29 176.88 2gas s LEU 177 N -0.93 4.12 -1.40 2.90 1.43 -1.26 -3.74 118.68 119.79 2gas s LEU 177 Ca 0.14 2.32 -0.03 0.00 -1.03 0.00 0.00 54.13 55.54 2gas s LEU 177 Cb -0.12 -4.12 0.02 0.00 0.03 0.00 0.00 46.19 42.00 2gas s LEU 177 CO 0.03 -0.77 0.60 0.47 0.23 0.00 0.00 176.35 176.91 2gas n ASP 178 N -0.16 -1.22 -3.74 2.29 8.00 -1.26 -4.98 116.55 115.47 2gas n ASP 178 Ca 0.06 -0.92 -0.13 0.00 0.71 0.00 0.00 54.79 54.51 2gas n ASP 178 Cb 0.47 -3.48 -0.11 0.00 -0.02 0.00 0.00 41.12 37.99 2gas n ASP 178 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gas s ALA 179 N -3.75 -0.86 -0.17 2.24 0.00 -1.25 -5.05 121.76 112.92 2gas s ALA 179 Ca 0.11 1.06 0.13 0.00 0.00 0.00 0.00 51.96 53.26 2gas s ALA 179 Cb -0.06 -0.63 -0.19 0.00 0.00 0.00 0.00 23.12 22.24 2gas s ALA 179 CO 0.86 -0.18 0.02 0.25 0.00 0.00 0.00 175.76 176.71 2gas n THR 180 N 3.22 1.14 -4.14 0.00 -2.24 -1.26 -4.74 114.28 106.26 2gas n THR 180 Ca -0.16 -0.66 -0.24 0.00 -2.27 0.00 0.00 64.05 60.72 2gas n THR 180 Cb 0.57 -0.67 -0.07 0.00 -2.10 0.00 0.00 70.33 68.06 2gas n THR 180 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2gas s ASP 181 N -5.19 4.53 0.27 3.42 1.11 -1.26 -4.05 116.67 115.51 2gas s ASP 181 Ca -0.11 -0.88 -0.30 0.00 0.18 0.00 0.00 52.55 51.43 2gas s ASP 181 Cb 0.05 -0.63 -0.11 0.00 1.07 0.00 0.00 42.92 43.30 2gas s ASP 181 CO 0.65 -0.34 1.58 -2.84 1.18 0.00 0.00 175.17 175.39 2gas s PRO 182 N -3.84 4.15 0.40 8.23 0.02 -0.36 -4.53 135.00 139.08 2gas s PRO 182 Ca 0.38 2.53 -0.25 0.00 0.02 0.00 0.00 61.00 63.67 2gas s PRO 182 Cb -0.01 -3.05 -0.08 0.00 0.02 0.00 0.00 34.50 31.38 2gas s PRO 182 CO 0.22 -0.61 1.22 -1.25 -0.33 0.00 0.00 177.00 176.26 2gas s PRO 183 N -0.25 4.00 0.00 5.54 0.04 -1.26 -4.94 135.00 138.13 2gas s PRO 183 Ca 0.64 1.97 0.09 0.00 0.04 0.00 0.00 61.00 63.74 2gas s PRO 183 Cb -0.47 -2.70 0.05 0.00 0.04 0.00 0.00 34.50 31.42 2gas s PRO 183 CO 0.45 -0.40 0.74 0.54 0.04 0.00 0.00 177.00 178.36 2gas n ARG 184 N 0.08 0.65 0.00 4.56 1.74 -1.26 -4.82 116.66 117.61 2gas n ARG 184 Ca 0.04 -0.93 0.00 0.00 -0.77 0.00 0.00 57.85 56.20 2gas n ARG 184 Cb 0.45 -1.14 0.00 0.00 -1.02 0.00 0.00 32.46 30.75 2gas n ARG 184 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2gas n ASP 185 N 0.33 0.68 -3.98 0.55 2.03 -1.26 -4.85 116.55 110.06 2gas n ASP 185 Ca 0.05 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.22 2gas n ASP 185 Cb 0.21 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.48 2gas n ASP 185 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2gas s LYS 186 N -1.87 0.37 0.01 -0.67 1.02 -1.26 -0.76 119.74 116.57 2gas s LYS 186 Ca 0.00 -0.39 -0.01 0.00 0.02 0.00 0.00 55.97 55.59 2gas s LYS 186 Cb 0.00 -0.23 -0.01 0.00 -0.52 0.00 0.00 37.83 37.07 2gas s LYS 186 CO 0.00 0.05 0.01 0.54 -0.92 0.00 0.00 175.35 175.03 2gas s VAL 187 N -0.67 0.07 -0.15 3.17 0.11 -0.05 -4.84 120.40 118.04 2gas s VAL 187 Ca -0.04 -0.57 -0.02 0.00 -2.93 0.00 0.00 61.98 58.41 2gas s VAL 187 Cb -0.05 -0.21 -0.02 0.00 -1.53 0.00 0.00 36.38 34.57 2gas s VAL 187 CO -0.00 -0.31 -0.07 -0.69 -3.33 0.00 0.00 175.10 170.70 2gas s VAL 188 N -0.94 3.59 -0.12 2.04 1.01 -1.26 -2.05 120.40 122.66 2gas s VAL 188 Ca -0.10 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 2gas s VAL 188 Cb -0.06 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 2gas s VAL 188 CO -0.00 0.50 -0.08 -0.63 0.00 0.00 0.00 175.10 174.89 2gas s ILE 189 N 0.36 3.54 -0.14 2.22 1.09 0.10 -4.92 121.20 123.46 2gas s ILE 189 Ca -0.07 -0.50 -0.25 0.00 -1.10 0.00 0.00 60.65 58.73 2gas s ILE 189 Cb -0.15 -2.50 -0.02 0.00 -1.06 0.00 0.00 42.46 38.73 2gas s ILE 189 CO 0.04 0.53 0.80 -0.76 -0.10 0.00 0.00 174.94 175.45 2gas s LEU 190 N 0.07 4.22 0.00 2.97 1.43 -1.26 -1.10 118.68 125.01 2gas s LEU 190 Ca -0.03 1.19 0.00 0.00 -1.03 0.00 0.00 54.13 54.27 2gas s LEU 190 Cb -0.14 -3.21 0.00 0.00 0.03 0.00 0.00 46.19 42.87 2gas s LEU 190 CO 0.03 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 176.90 2gas n GLY 191 N 3.36 -0.76 0.00 -3.19 0.00 0.10 -3.84 105.19 100.87 2gas n GLY 191 Ca 0.03 -1.16 0.14 0.00 0.00 0.00 0.00 46.02 45.04 2gas n GLY 191 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2gas n ASP 192 N -0.98 0.01 -0.00 1.61 3.85 -1.26 -4.15 116.55 115.63 2gas n ASP 192 Ca 0.00 0.15 -0.00 0.00 -0.71 0.00 0.00 54.79 54.23 2gas n ASP 192 Cb 0.00 -0.38 -0.00 0.00 -1.35 0.00 0.00 41.12 39.39 2gas n ASP 192 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2gas n GLY 193 N 1.39 0.48 1.47 6.12 0.00 -1.25 -4.89 105.19 108.51 2gas n GLY 193 Ca 0.11 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 2gas n GLY 193 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2gas n ASN 194 N 0.37 2.94 -4.40 1.61 3.02 -1.26 -1.12 115.26 116.42 2gas n ASN 194 Ca -0.00 -3.76 -0.35 0.00 -0.03 0.00 0.00 54.58 50.44 2gas n ASN 194 Cb 0.00 -0.69 -0.13 0.00 -0.61 0.00 0.00 39.78 38.36 2gas n ASN 194 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2gas s VAL 195 N -3.35 3.80 0.34 2.41 1.01 -1.26 -4.96 120.40 118.39 2gas s VAL 195 Ca 0.48 -0.36 -0.29 0.00 0.00 0.00 0.00 61.98 61.82 2gas s VAL 195 Cb 0.43 -2.73 -0.11 0.00 0.00 0.00 0.00 36.38 33.97 2gas s VAL 195 CO 0.02 0.41 1.47 -0.54 0.00 0.00 0.00 175.10 176.46 2gas s LYS 196 N 1.26 4.17 0.19 2.72 -0.14 -1.26 -3.86 119.74 122.82 2gas s LYS 196 Ca 0.04 2.48 0.08 0.00 -1.36 0.00 0.00 55.97 57.21 2gas s LYS 196 Cb -0.15 -3.01 -0.04 0.00 -1.68 0.00 0.00 37.83 32.95 2gas s LYS 196 CO 0.01 -0.48 -0.16 0.20 -0.76 0.00 0.00 175.35 174.15 2gas s GLY 197 N -0.04 1.44 -0.16 -3.33 0.00 0.14 -4.55 107.32 100.81 2gas s GLY 197 Ca 0.55 -1.60 0.01 0.00 0.00 0.00 0.00 44.72 43.68 2gas s GLY 197 CO 0.57 -1.68 -0.20 0.00 0.00 0.00 0.00 173.10 171.78 2gas s ALA 198 N -2.57 2.31 0.03 3.20 0.00 -1.26 -1.19 121.76 122.28 2gas s ALA 198 Ca 0.20 -1.16 0.07 0.00 0.00 0.00 0.00 51.96 51.07 2gas s ALA 198 Cb -0.03 -1.12 -0.03 0.00 0.00 0.00 0.00 23.12 21.94 2gas s ALA 198 CO 0.07 -0.21 -0.18 0.71 0.00 0.00 0.00 175.76 176.16 2gas s TYR 199 N 1.08 2.57 -0.16 0.00 1.51 -0.94 -1.44 117.35 119.97 2gas s TYR 199 Ca -0.00 -0.25 -0.19 0.00 -1.01 0.00 0.00 57.07 55.62 2gas s TYR 199 Cb -0.14 -1.48 0.05 0.00 -0.11 0.00 0.00 41.96 40.28 2gas s TYR 199 CO -0.08 0.25 0.52 0.54 -1.11 0.00 0.00 175.55 175.67 2gas s VAL 200 N -0.92 0.01 0.64 0.71 0.11 -0.71 -4.74 120.40 115.51 2gas s VAL 200 Ca 0.15 -0.06 -0.13 0.00 -2.93 0.00 0.00 61.98 59.01 2gas s VAL 200 Cb -0.11 -0.75 -0.02 0.00 -1.53 0.00 0.00 36.38 33.98 2gas s VAL 200 CO 0.05 -0.03 1.05 0.42 -3.33 0.00 0.00 175.10 173.26 2gas s THR 201 N -0.08 3.97 0.22 5.04 -4.23 -1.26 -0.98 115.64 118.32 2gas s THR 201 Ca -0.03 0.77 -0.08 0.00 -1.18 0.00 0.00 61.69 61.17 2gas s THR 201 Cb -0.03 -3.41 0.19 0.00 1.34 0.00 0.00 72.50 70.58 2gas s THR 201 CO 0.02 -0.71 1.85 -0.33 -0.54 0.00 0.00 174.62 174.91 2gas h GLU 202 N -0.16 1.17 -0.47 3.99 3.07 -1.96 -1.31 114.58 118.92 2gas h GLU 202 Ca -0.45 -0.13 0.03 0.00 -0.50 0.00 0.00 59.36 58.31 2gas h GLU 202 Cb 1.21 -0.24 -0.04 0.00 -0.84 0.00 0.00 28.75 28.85 2gas h GLU 202 CO 0.57 0.85 0.26 0.00 -1.40 0.00 0.00 179.01 179.29 2gas h ALA 203 N 1.26 0.60 -0.19 3.43 0.00 -1.93 -1.81 119.26 120.62 2gas h ALA 203 Ca 0.30 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 2gas h ALA 203 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2gas h ALA 203 CO -0.05 -0.08 -0.24 -0.44 0.00 0.00 0.00 179.25 178.44 2gas h ASP 204 N 0.51 0.34 -0.48 0.00 3.45 -1.83 -1.60 116.42 116.82 2gas h ASP 204 Ca 0.20 -0.10 -0.04 0.00 0.43 0.00 0.00 57.03 57.51 2gas h ASP 204 Cb 0.08 -0.09 -0.03 0.00 -0.56 0.00 0.00 39.33 38.73 2gas h ASP 204 CO -0.12 0.59 0.16 0.58 -1.57 0.00 0.00 179.24 178.88 2gas h VAL 205 N 0.31 1.21 -0.22 -1.35 2.07 -0.60 -0.23 116.25 117.44 2gas h VAL 205 Ca 0.05 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 2gas h VAL 205 Cb 0.60 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2gas h VAL 205 CO 0.04 0.28 0.13 1.23 0.02 0.00 0.00 177.57 179.27 2gas h GLY 206 N 0.94 0.33 0.88 2.17 0.00 -0.50 -0.25 103.07 106.64 2gas h GLY 206 Ca 0.18 -0.15 0.02 0.00 0.00 0.00 0.00 47.33 47.38 2gas h GLY 206 CO -0.01 0.14 0.11 -0.84 0.00 0.00 0.00 176.54 175.94 2gas h THR 207 N 0.26 0.98 -0.10 4.70 2.02 -0.72 -2.21 112.91 117.85 2gas h THR 207 Ca 0.08 -0.08 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 2gas h THR 207 Cb 0.05 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2gas h THR 207 CO -0.01 0.04 -0.34 -0.26 0.37 0.00 0.00 175.52 175.32 2gas h PHE 208 N 0.23 0.22 -0.52 3.16 -1.00 -0.94 -1.33 116.94 116.75 2gas h PHE 208 Ca 0.09 -0.05 -0.06 0.00 2.81 0.00 0.00 57.97 60.77 2gas h PHE 208 Cb 0.03 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.52 2gas h PHE 208 CO -0.10 0.51 0.09 1.15 -1.61 0.00 0.00 178.31 178.35 2gas h THR 209 N 0.17 1.25 -0.12 -1.55 2.02 -0.71 -0.83 112.91 113.14 2gas h THR 209 Ca 0.02 -0.94 -0.17 0.00 0.77 0.00 0.00 66.41 66.09 2gas h THR 209 Cb 0.69 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 2gas h THR 209 CO 0.05 0.34 -0.64 0.40 0.37 0.00 0.00 175.52 176.03 2gas h ILE 210 N 0.74 1.35 -0.69 3.11 5.03 -1.22 -0.07 117.51 125.77 2gas h ILE 210 Ca 0.16 -1.98 0.00 0.00 -0.12 0.00 0.00 64.86 62.92 2gas h ILE 210 Cb 0.40 1.96 -0.03 0.00 -3.03 0.00 0.00 36.82 36.11 2gas h ILE 210 CO 0.01 0.60 0.45 0.03 -0.68 0.00 0.00 178.15 178.56 2gas h ARG 211 N 0.32 0.92 -0.60 2.37 2.47 -1.03 -1.22 114.38 117.62 2gas h ARG 211 Ca -0.01 -0.06 -0.10 0.00 -1.26 0.00 0.00 59.98 58.55 2gas h ARG 211 Cb 1.20 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 29.29 2gas h ARG 211 CO 0.11 0.62 0.00 0.00 0.56 0.00 0.00 179.97 181.27 2gas h ALA 212 N 1.24 0.81 -1.01 0.04 0.00 -0.92 -2.34 119.26 117.09 2gas h ALA 212 Ca 0.25 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.87 2gas h ALA 212 Cb -0.09 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.43 2gas h ALA 212 CO -0.05 0.65 0.67 0.00 0.00 0.00 0.00 179.25 180.51 2gas h ALA 213 N 0.99 1.30 -0.01 0.00 0.00 -0.32 -2.07 119.26 119.14 2gas h ALA 213 Ca 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2gas h ALA 213 Cb 0.55 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2gas h ALA 213 CO 0.03 0.64 -0.02 0.09 0.00 0.00 0.00 179.25 179.99 2gas n ASN 214 N -4.39 0.96 -4.44 0.00 3.02 -0.52 -4.77 115.26 105.11 2gas n ASN 214 Ca 0.12 -1.26 -0.43 0.00 -0.03 0.00 0.00 54.58 52.99 2gas n ASN 214 Cb 0.03 -0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.10 2gas n ASN 214 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2gas s ASP 215 N -2.05 6.05 0.62 6.41 2.15 -0.78 -4.95 116.67 124.12 2gas s ASP 215 Ca 0.40 -0.97 0.34 0.00 0.43 0.00 0.00 52.55 52.74 2gas s ASP 215 Cb 0.21 -2.14 1.90 0.00 -0.30 0.00 0.00 42.92 42.59 2gas s ASP 215 CO 0.36 -0.46 2.18 1.55 -0.17 0.00 0.00 175.17 178.63 2gas h PRO 216 N 8.61 0.00 0.00 4.34 0.13 -1.86 -2.07 132.00 141.16 2gas h PRO 216 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2gas h PRO 216 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2gas h PRO 216 CO 0.74 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.60 2gas n ASN 217 N -3.47 0.23 -0.66 1.44 3.02 -1.26 -2.71 115.26 111.85 2gas n ASN 217 Ca -0.01 0.56 0.07 0.00 -0.03 0.00 0.00 54.58 55.17 2gas n ASN 217 Cb 0.22 -0.61 0.22 0.00 -0.61 0.00 0.00 39.78 39.00 2gas n ASN 217 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2gas n THR 218 N -1.76 0.43 -1.68 3.41 -2.24 -0.78 -4.87 114.28 106.79 2gas n THR 218 Ca 0.03 -0.46 -0.45 0.00 -2.27 0.00 0.00 64.05 60.90 2gas n THR 218 Cb 0.19 0.29 -0.04 0.00 -2.10 0.00 0.00 70.33 68.67 2gas n THR 218 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2gas n LEU 219 N 0.53 3.77 -3.93 3.22 7.94 -1.10 -1.94 117.00 125.49 2gas n LEU 219 Ca 0.13 0.97 -0.30 0.00 -1.11 0.00 0.00 56.01 55.70 2gas n LEU 219 Cb 0.32 -1.46 0.02 0.00 0.53 0.00 0.00 43.42 42.83 2gas n LEU 219 CO 0.10 0.05 0.06 0.59 -1.11 0.00 0.00 177.39 177.08 2gas n ASN 220 N 6.33 -4.03 -4.26 1.96 5.03 0.15 -4.95 115.26 115.49 2gas n ASN 220 Ca 0.20 -0.82 -0.16 0.00 0.87 0.00 0.00 54.58 54.67 2gas n ASN 220 Cb 0.35 -3.74 -0.10 0.00 -1.02 0.00 0.00 39.78 35.26 2gas n ASN 220 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2gas s LYS 221 N -6.58 1.08 -0.19 3.52 -0.14 -0.82 -4.88 119.74 111.73 2gas s LYS 221 Ca 0.57 -1.38 -0.09 0.00 -1.36 0.00 0.00 55.97 53.71 2gas s LYS 221 Cb -0.29 -0.80 -0.05 0.00 -1.68 0.00 0.00 37.83 35.02 2gas s LYS 221 CO 0.84 0.13 0.10 0.00 -0.76 0.00 0.00 175.35 175.66 2gas s ALA 222 N -2.79 3.59 -0.23 5.17 0.00 -0.27 -1.79 121.76 125.44 2gas s ALA 222 Ca 0.14 -0.71 -0.08 0.00 0.00 0.00 0.00 51.96 51.31 2gas s ALA 222 Cb -0.01 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 2gas s ALA 222 CO 0.02 0.18 0.09 0.08 0.00 0.00 0.00 175.76 176.13 2gas s VAL 223 N 0.32 4.66 -0.16 0.00 1.01 0.62 -0.86 120.40 125.98 2gas s VAL 223 Ca 0.06 -0.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.93 2gas s VAL 223 Cb -0.12 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 2gas s VAL 223 CO -0.01 0.37 0.01 -1.00 0.00 0.00 0.00 175.10 174.47 2gas s HIS 224 N 1.16 3.13 -0.46 5.22 3.76 0.04 -0.72 115.29 127.41 2gas s HIS 224 Ca 0.05 -0.11 -0.12 0.00 -0.15 0.00 0.00 55.06 54.73 2gas s HIS 224 Cb -0.14 -2.00 0.10 0.00 1.11 0.00 0.00 32.58 31.64 2gas s HIS 224 CO 0.04 0.08 0.35 0.42 -0.85 0.00 0.00 174.74 174.78 2gas s ILE 225 N 0.29 4.62 -0.42 0.60 -1.09 -0.38 -0.77 121.20 124.06 2gas s ILE 225 Ca -0.00 -1.43 0.02 0.00 -2.23 0.00 0.00 60.65 57.01 2gas s ILE 225 Cb -0.13 -3.88 0.14 0.00 -1.58 0.00 0.00 42.46 37.01 2gas s ILE 225 CO 0.02 -0.65 0.25 -0.13 -1.23 0.00 0.00 174.94 173.20 2gas s ARG 226 N 1.49 1.04 -0.11 2.79 3.00 -1.26 -4.60 118.95 121.29 2gas s ARG 226 Ca 0.04 -1.84 -0.29 0.00 0.00 0.00 0.00 55.73 53.64 2gas s ARG 226 Cb -0.25 -1.91 -0.01 0.00 0.00 0.00 0.00 34.95 32.77 2gas s ARG 226 CO 0.03 -1.21 0.98 -0.51 0.00 0.00 0.00 175.30 174.58 2gas s LEU 227 N 0.49 4.24 0.16 2.53 1.43 -1.26 -4.69 118.68 121.58 2gas s LEU 227 Ca 0.20 1.48 -0.22 0.00 -1.03 0.00 0.00 54.13 54.57 2gas s LEU 227 Cb -0.19 -3.51 0.04 0.00 0.03 0.00 0.00 46.19 42.56 2gas s LEU 227 CO -0.03 -0.43 1.30 -2.65 0.23 0.00 0.00 176.35 174.77 2gas n PRO 228 N 5.00 -0.30 0.00 1.29 -0.02 -1.26 -0.32 135.00 139.38 2gas n PRO 228 Ca 0.08 1.28 0.11 0.00 -2.02 0.00 0.00 63.50 62.94 2gas n PRO 228 Cb 0.49 -1.88 0.51 0.00 -0.02 0.00 0.00 33.50 32.60 2gas n PRO 228 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2gas n LYS 229 N -5.12 0.18 -0.12 -0.52 5.02 -1.26 -2.72 118.16 113.62 2gas n LYS 229 Ca 0.04 0.10 0.04 0.00 -2.02 0.00 0.00 58.31 56.48 2gas n LYS 229 Cb 0.26 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 33.88 2gas n LYS 229 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2gas n ASN 230 N -1.38 2.61 -4.37 4.39 4.13 0.56 -4.50 115.26 116.70 2gas n ASN 230 Ca 0.08 -1.97 -0.45 0.00 1.68 0.00 0.00 54.58 53.92 2gas n ASN 230 Cb 0.21 -0.16 -0.04 0.00 -1.54 0.00 0.00 39.78 38.25 2gas n ASN 230 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 2gas s TYR 231 N -0.98 3.19 0.02 3.10 5.04 -0.44 -2.22 117.35 125.05 2gas s TYR 231 Ca 0.16 -1.27 0.01 0.00 -2.44 0.00 0.00 57.07 53.54 2gas s TYR 231 Cb 0.08 -4.00 -0.01 0.00 0.35 0.00 0.00 41.96 38.38 2gas s TYR 231 CO 0.11 -1.24 -0.05 -0.51 -1.34 0.00 0.00 175.55 172.52 2gas s LEU 232 N 2.08 2.14 0.71 6.97 1.43 -0.33 -4.86 118.68 126.82 2gas s LEU 232 Ca 0.15 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 52.82 2gas s LEU 232 Cb -0.19 -0.13 0.02 0.00 0.03 0.00 0.00 46.19 45.91 2gas s LEU 232 CO 0.00 -0.10 1.09 0.42 0.23 0.00 0.00 176.35 177.99 2gas s THR 233 N -0.79 3.53 0.36 5.49 -4.23 -1.26 -0.69 115.64 118.06 2gas s THR 233 Ca -0.06 0.50 0.05 0.00 -1.18 0.00 0.00 61.69 61.00 2gas s THR 233 Cb -0.06 -3.46 0.21 0.00 1.34 0.00 0.00 72.50 70.54 2gas s THR 233 CO -0.00 -0.65 1.96 -0.61 -0.54 0.00 0.00 174.62 174.78 2gas h GLN 234 N -0.68 0.59 -0.60 3.99 5.75 -1.63 -0.16 115.11 122.37 2gas h GLN 234 Ca -0.45 -0.08 -0.07 0.00 -0.15 0.00 0.00 58.65 57.91 2gas h GLN 234 Cb 1.25 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 29.66 2gas h GLN 234 CO 0.63 0.49 0.11 -0.91 -2.65 0.00 0.00 178.83 176.50 2gas h ASN 235 N 0.59 0.91 -0.24 -0.69 -0.26 -1.46 -0.61 115.58 113.81 2gas h ASN 235 Ca 0.15 -0.20 -0.14 0.00 -0.56 0.00 0.00 56.30 55.55 2gas h ASN 235 Cb 0.12 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.13 2gas h ASN 235 CO -0.02 0.91 -0.34 -0.33 -1.06 0.00 0.00 177.43 176.60 2gas h GLU 236 N 0.91 0.77 -0.11 0.81 5.08 -1.50 -1.25 114.58 119.28 2gas h GLU 236 Ca 0.19 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 2gas h GLU 236 Cb 0.38 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2gas h GLU 236 CO 0.01 0.99 0.05 0.28 -1.00 0.00 0.00 179.01 179.33 2gas h VAL 237 N 0.64 1.14 -0.70 3.13 2.07 -0.69 -1.28 116.25 120.56 2gas h VAL 237 Ca 0.07 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 2gas h VAL 237 Cb 0.87 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 2gas h VAL 237 CO 0.08 0.13 0.40 0.40 0.02 0.00 0.00 177.57 178.60 2gas h ILE 238 N 0.03 1.21 -0.56 4.57 2.04 -1.05 -1.38 117.51 122.37 2gas h ILE 238 Ca 0.04 -0.51 -0.06 0.00 1.00 0.00 0.00 64.86 65.33 2gas h ILE 238 Cb 0.16 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 2gas h ILE 238 CO -0.00 0.23 0.11 0.00 0.00 0.00 0.00 178.15 178.49 2gas h ALA 239 N 1.20 1.15 -0.28 1.87 0.00 -1.10 -0.18 119.26 121.92 2gas h ALA 239 Ca 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2gas h ALA 239 Cb 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2gas h ALA 239 CO -0.04 0.57 0.12 1.25 0.00 0.00 0.00 179.25 181.15 2gas h LEU 240 N 0.84 0.39 -0.54 0.00 5.85 -0.70 -2.14 115.31 119.00 2gas h LEU 240 Ca 0.18 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 2gas h LEU 240 Cb 0.34 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 2gas h LEU 240 CO 0.00 0.43 0.12 -0.25 -0.34 0.00 0.00 178.44 178.41 2gas h TRP 241 N 0.31 0.93 -0.99 1.25 -0.00 -0.98 -2.56 115.95 113.91 2gas h TRP 241 Ca 0.10 -0.12 0.05 0.00 -0.00 0.00 0.00 58.89 58.92 2gas h TRP 241 Cb 0.16 -0.26 -0.06 0.00 -0.00 0.00 0.00 29.16 29.00 2gas h TRP 241 CO -0.01 0.81 0.64 0.93 -0.00 0.00 0.00 178.44 180.81 2gas h GLU 242 N 0.77 1.16 -0.51 2.65 5.08 -0.90 -0.83 114.58 122.01 2gas h GLU 242 Ca 0.17 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 2gas h GLU 242 Cb 0.36 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2gas h GLU 242 CO 0.00 0.77 0.08 -0.22 -1.00 0.00 0.00 179.01 178.64 2gas h LYS 243 N 1.20 0.80 -0.44 2.33 3.64 -1.11 -0.46 116.57 122.52 2gas h LYS 243 Ca 0.41 -0.18 -0.12 0.00 -1.27 0.00 0.00 60.65 59.49 2gas h LYS 243 Cb 0.10 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2gas h LYS 243 CO -0.15 0.75 -0.20 0.87 -2.27 0.00 0.00 179.45 178.46 2gas h LYS 244 N 0.76 0.91 -0.02 1.90 1.57 -0.78 -3.19 116.57 117.71 2gas h LYS 244 Ca 0.16 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2gas h LYS 244 Cb 0.35 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2gas h LYS 244 CO 0.01 1.05 -0.04 0.44 -0.57 0.00 0.00 179.45 180.33 2gas n ILE 245 N -4.19 0.00 -2.82 1.86 -5.35 -0.75 -4.98 119.36 103.14 2gas n ILE 245 Ca -0.01 -0.39 -0.17 0.00 -0.27 0.00 0.00 62.75 61.91 2gas n ILE 245 Cb 0.44 1.13 0.03 0.00 -1.74 0.00 0.00 39.64 39.49 2gas n ILE 245 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2gas n GLY 246 N 1.30 -0.26 3.31 3.28 0.00 -0.20 -5.02 105.19 107.61 2gas n GLY 246 Ca 0.15 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 2gas n GLY 246 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gas s LYS 247 N -5.40 1.03 -0.15 1.61 -2.85 -1.12 -5.06 119.74 107.79 2gas s LYS 247 Ca 0.22 -0.64 -0.13 0.00 -1.00 0.00 0.00 55.97 54.42 2gas s LYS 247 Cb -0.10 0.45 -0.05 0.00 -2.06 0.00 0.00 37.83 36.08 2gas s LYS 247 CO 0.27 -0.39 0.27 0.99 0.10 0.00 0.00 175.35 176.60 2gas s THR 248 N -3.51 5.31 0.28 3.79 2.01 -1.26 -4.57 115.64 117.69 2gas s THR 248 Ca 0.01 0.51 -0.20 0.00 0.31 0.00 0.00 61.69 62.32 2gas s THR 248 Cb 0.01 -3.61 -0.09 0.00 0.01 0.00 0.00 72.50 68.83 2gas s THR 248 CO -0.10 0.41 0.78 -0.76 -0.69 0.00 0.00 174.62 174.26 2gas s LEU 249 N 0.31 4.25 0.26 4.42 1.43 -1.26 -4.96 118.68 123.12 2gas s LEU 249 Ca 0.16 1.47 -0.30 0.00 -1.03 0.00 0.00 54.13 54.43 2gas s LEU 249 Cb -0.13 -3.84 -0.09 0.00 0.03 0.00 0.00 46.19 42.16 2gas s LEU 249 CO 0.04 -0.07 1.15 -1.61 0.23 0.00 0.00 176.35 176.09 2gas s GLU 250 N -2.31 4.57 -0.02 1.70 2.02 0.06 -4.89 118.70 119.83 2gas s GLU 250 Ca 0.48 1.86 0.06 0.00 0.02 0.00 0.00 54.97 57.39 2gas s GLU 250 Cb -0.15 -3.19 -0.01 0.00 0.10 0.00 0.00 34.13 30.87 2gas s GLU 250 CO 0.20 0.09 -0.20 0.15 0.02 0.00 0.00 175.26 175.52 2gas s LYS 251 N -1.11 1.69 -0.09 1.61 1.02 -1.26 -0.87 119.74 120.73 2gas s LYS 251 Ca 0.47 -0.70 0.01 0.00 0.02 0.00 0.00 55.97 55.77 2gas s LYS 251 Cb -0.33 -1.58 0.02 0.00 -0.52 0.00 0.00 37.83 35.42 2gas s LYS 251 CO 0.41 0.39 -0.08 0.99 -0.92 0.00 0.00 175.35 176.13 2gas s THR 252 N -0.34 0.96 -0.17 2.17 2.01 -0.87 -5.01 115.64 114.39 2gas s THR 252 Ca 0.05 -0.30 -0.06 0.00 0.31 0.00 0.00 61.69 61.69 2gas s THR 252 Cb -0.09 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.44 2gas s THR 252 CO 0.00 0.34 0.02 -0.31 -0.69 0.00 0.00 174.62 173.98 2gas s TYR 253 N 1.28 3.15 -0.11 4.92 1.51 -1.26 0.02 117.35 126.86 2gas s TYR 253 Ca -0.04 -0.08 0.01 0.00 -1.01 0.00 0.00 57.07 55.95 2gas s TYR 253 Cb -0.14 -2.02 -0.02 0.00 -0.11 0.00 0.00 41.96 39.68 2gas s TYR 253 CO -0.03 0.08 -0.15 0.08 -1.11 0.00 0.00 175.55 174.43 2gas s VAL 254 N 0.32 2.93 0.63 0.71 1.01 -0.26 -4.95 120.40 120.80 2gas s VAL 254 Ca 0.00 -0.72 -0.17 0.00 0.00 0.00 0.00 61.98 61.09 2gas s VAL 254 Cb -0.13 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 2gas s VAL 254 CO 0.01 0.54 1.19 -0.94 0.00 0.00 0.00 175.10 175.91 2gas s SER 255 N 0.11 4.95 0.23 3.32 1.04 -1.26 0.03 113.70 122.12 2gas s SER 255 Ca -0.07 2.33 -0.07 0.00 0.48 0.00 0.00 55.95 58.63 2gas s SER 255 Cb -0.15 -2.59 0.32 0.00 0.10 0.00 0.00 66.02 63.70 2gas s SER 255 CO 0.05 -1.75 1.81 -0.08 0.98 0.00 0.00 173.24 174.25 2gas h GLU 256 N 0.51 0.73 -0.86 4.02 4.81 -1.96 -1.11 114.58 120.72 2gas h GLU 256 Ca -0.49 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 58.78 2gas h GLU 256 Cb 1.29 -0.16 -0.07 0.00 0.63 0.00 0.00 28.75 30.43 2gas h GLU 256 CO 0.54 0.48 0.52 0.93 -0.73 0.00 0.00 179.01 180.75 2gas h GLU 257 N 0.75 0.86 -0.20 1.92 3.07 -2.00 0.78 114.58 119.76 2gas h GLU 257 Ca 0.35 -0.05 -0.14 0.00 -0.50 0.00 0.00 59.36 59.02 2gas h GLU 257 Cb 0.27 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 2gas h GLU 257 CO -0.21 0.57 -0.45 1.96 -1.40 0.00 0.00 179.01 179.47 2gas h GLN 258 N 0.88 0.50 -0.27 2.33 4.20 -1.66 -2.40 115.11 118.70 2gas h GLN 258 Ca 0.40 -0.27 -0.04 0.00 0.06 0.00 0.00 58.65 58.80 2gas h GLN 258 Cb 0.32 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 2gas h GLN 258 CO -0.23 0.86 0.01 0.28 -0.67 0.00 0.00 178.83 179.08 2gas h VAL 259 N 0.41 1.25 -0.89 -0.54 2.07 -0.05 -1.78 116.25 116.72 2gas h VAL 259 Ca 0.03 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.66 2gas h VAL 259 Cb 0.95 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 2gas h VAL 259 CO 0.08 0.28 0.56 -0.07 0.02 0.00 0.00 177.57 178.45 2gas h LEU 260 N 0.26 1.05 -0.64 2.57 3.38 -0.83 -1.28 115.31 119.83 2gas h LEU 260 Ca 0.08 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 2gas h LEU 260 Cb 0.40 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2gas h LEU 260 CO 0.01 0.78 -0.03 0.50 0.09 0.00 0.00 178.44 179.79 2gas h LYS 261 N 1.22 1.03 -0.90 1.13 3.11 -1.30 -2.40 116.57 118.46 2gas h LYS 261 Ca 0.32 -0.34 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 2gas h LYS 261 Cb -0.09 -0.09 -0.04 0.00 -1.00 0.00 0.00 32.23 31.00 2gas h LYS 261 CO -0.06 1.03 0.57 0.22 -2.81 0.00 0.00 179.45 178.40 2gas h ASP 262 N 0.94 1.06 -0.24 4.20 1.82 -0.56 -2.11 116.42 121.53 2gas h ASP 262 Ca 0.16 -0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 56.74 2gas h ASP 262 Cb 0.59 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.32 2gas h ASP 262 CO 0.04 0.79 0.09 0.40 -1.61 0.00 0.00 179.24 178.95 2gas h ILE 263 N 1.23 1.17 -0.30 2.25 2.04 -0.97 -1.69 117.51 121.25 2gas h ILE 263 Ca 0.33 -0.52 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 2gas h ILE 263 Cb -0.10 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 2gas h ILE 263 CO -0.07 0.17 0.07 1.56 0.00 0.00 0.00 178.15 179.88 2gas h GLN 264 N 0.24 0.43 -0.01 2.37 4.20 -1.14 -2.94 115.11 118.26 2gas h GLN 264 Ca 0.08 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2gas h GLN 264 Cb 0.18 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.88 2gas h GLN 264 CO -0.01 0.41 -0.41 0.39 -0.67 0.00 0.00 178.83 178.54 2gas n GLU 265 N -4.37 0.72 -3.33 1.46 1.02 -0.82 -4.94 120.64 110.39 2gas n GLU 265 Ca 0.01 -0.49 -0.34 0.00 -0.02 0.00 0.00 57.16 56.32 2gas n GLU 265 Cb 0.17 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.05 2gas n GLU 265 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2gas s SER 266 N -2.62 6.80 0.65 1.62 0.01 -0.65 -5.08 113.70 114.44 2gas s SER 266 Ca 0.20 1.09 -0.11 0.00 1.31 0.00 0.00 55.95 58.44 2gas s SER 266 Cb 0.18 -2.29 -0.01 0.00 0.21 0.00 0.00 66.02 64.11 2gas s SER 266 CO 0.59 0.03 1.05 -0.94 0.41 0.00 0.00 173.24 174.38 2gas s SER 267 N -1.89 5.86 0.39 2.44 1.04 -1.26 -4.40 113.70 115.87 2gas s SER 267 Ca 0.42 1.26 -0.24 0.00 0.48 0.00 0.00 55.95 57.86 2gas s SER 267 Cb -0.14 -2.20 -0.09 0.00 0.10 0.00 0.00 66.02 63.69 2gas s SER 267 CO 0.20 -1.08 1.04 0.12 0.98 0.00 0.00 173.24 174.50 2gas s PHE 268 N -3.24 3.32 -1.42 5.02 2.19 -1.26 -1.22 117.98 121.37 2gas s PHE 268 Ca 0.56 1.66 0.14 0.00 0.33 0.00 0.00 56.93 59.62 2gas s PHE 268 Cb -0.11 -3.12 0.51 0.00 -1.31 0.00 0.00 43.02 39.00 2gas s PHE 268 CO 0.52 -0.55 1.39 -0.35 1.83 0.00 0.00 175.22 178.07 2gas n PRO 269 N 0.05 2.82 -0.25 10.12 -0.04 -1.26 -4.91 135.00 141.53 2gas n PRO 269 Ca 0.04 -2.04 -0.00 0.00 -0.04 0.00 0.00 63.50 61.46 2gas n PRO 269 Cb 0.49 -1.65 0.21 0.00 -0.04 0.00 0.00 33.50 32.51 2gas n PRO 269 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2gas h HIS 270 N 3.01 1.01 -0.42 0.54 3.86 -1.51 -1.16 115.15 120.49 2gas h HIS 270 Ca 0.00 0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.13 2gas h HIS 270 Cb 1.03 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 29.14 2gas h HIS 270 CO 0.52 0.66 -0.11 -2.95 0.86 0.00 0.00 177.93 176.91 2gas h ASN 271 N 1.08 0.75 -0.35 2.45 -0.00 -1.67 -1.64 115.58 116.19 2gas h ASN 271 Ca 0.29 -0.22 -0.03 0.00 -0.00 0.00 0.00 56.30 56.33 2gas h ASN 271 Cb -0.08 -0.20 -0.01 0.00 -0.00 0.00 0.00 38.32 38.02 2gas h ASN 271 CO -0.06 0.88 0.10 0.22 -0.00 0.00 0.00 177.43 178.57 2gas h TYR 272 N 0.69 0.58 -0.11 4.14 3.20 -1.63 -1.02 116.97 122.81 2gas h TYR 272 Ca 0.12 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 2gas h TYR 272 Cb 0.58 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 2gas h TYR 272 CO 0.03 0.57 0.07 1.25 -1.64 0.00 0.00 178.16 178.44 2gas h LEU 273 N 0.42 0.14 -1.05 2.82 5.85 -1.05 -0.95 115.31 121.48 2gas h LEU 273 Ca 0.11 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 2gas h LEU 273 Cb 0.27 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 2gas h LEU 273 CO -0.00 0.15 0.18 -0.07 -0.34 0.00 0.00 178.44 178.37 2gas h LEU 274 N 0.11 0.79 -0.83 2.25 3.38 -1.22 -1.40 115.31 118.39 2gas h LEU 274 Ca 0.04 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 2gas h LEU 274 Cb 0.04 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2gas h LEU 274 CO -0.01 0.75 -0.10 0.00 0.09 0.00 0.00 178.44 179.17 2gas h ALA 275 N 1.36 1.01 -0.21 1.53 0.00 -0.89 0.18 119.26 122.25 2gas h ALA 275 Ca 0.19 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2gas h ALA 275 Cb 0.24 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2gas h ALA 275 CO -0.01 0.59 0.09 1.25 0.00 0.00 0.00 179.25 181.17 2gas h LEU 276 N 0.69 0.29 -0.81 0.00 5.85 -0.54 -2.03 115.31 118.75 2gas h LEU 276 Ca 0.12 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 2gas h LEU 276 Cb 0.58 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 2gas h LEU 276 CO 0.04 0.36 0.15 1.88 -0.34 0.00 0.00 178.44 180.53 2gas h TYR 277 N 0.19 1.09 -0.33 1.25 0.99 -1.01 -1.97 116.97 117.18 2gas h TYR 277 Ca 0.07 -0.12 0.04 0.00 2.00 0.00 0.00 58.73 60.72 2gas h TYR 277 Cb 0.16 -0.31 -0.04 0.00 1.00 0.00 0.00 36.73 37.54 2gas h TYR 277 CO -0.01 0.89 0.09 1.25 -0.00 0.00 0.00 178.16 180.38 2gas h HIS 278 N 0.99 0.16 -0.62 4.88 2.76 -0.41 0.96 115.15 123.87 2gas h HIS 278 Ca 0.21 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.32 2gas h HIS 278 Cb 0.36 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.27 2gas h HIS 278 CO 0.03 0.05 0.10 1.03 -1.30 0.00 0.00 177.93 177.83 2gas h SER 279 N 0.22 0.96 0.45 3.26 0.87 -1.15 0.22 113.55 118.38 2gas h SER 279 Ca 0.15 -0.22 -0.31 0.00 -1.23 0.00 0.00 61.79 60.19 2gas h SER 279 Cb 0.15 -0.25 0.01 0.00 -0.44 0.00 0.00 62.40 61.87 2gas h SER 279 CO -0.18 0.96 -1.43 -0.61 -0.53 0.00 0.00 176.83 175.04 2gas h GLN 280 N 0.95 0.35 0.03 2.24 -0.00 -0.87 -1.59 115.11 116.21 2gas h GLN 280 Ca 0.19 -0.59 -0.33 0.00 -0.00 0.00 0.00 58.65 57.91 2gas h GLN 280 Cb 0.42 0.22 -0.05 0.00 0.00 0.00 0.00 27.48 28.07 2gas h GLN 280 CO 0.01 1.26 -1.99 1.04 0.00 0.00 0.00 178.83 179.15 2gas n GLN 281 N -3.56 0.68 -0.10 1.69 1.13 0.33 -4.10 117.38 113.44 2gas n GLN 281 Ca -0.14 0.21 -0.21 0.00 -1.94 0.00 0.00 57.00 54.92 2gas n GLN 281 Cb 1.06 -1.69 -0.07 0.00 0.11 0.00 0.00 30.24 29.64 2gas n GLN 281 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 2gas n ILE 282 N -3.11 1.21 0.29 5.09 2.08 -0.03 -4.54 119.36 120.35 2gas n ILE 282 Ca -0.26 -0.23 0.15 0.00 0.56 0.00 0.00 62.75 62.96 2gas n ILE 282 Cb 1.07 -1.84 0.46 0.00 -0.75 0.00 0.00 39.64 38.57 2gas n ILE 282 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 2gas h LYS 283 N -0.77 0.00 -4.66 0.38 1.79 -1.33 -3.48 116.57 108.49 2gas h LYS 283 Ca -0.47 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 57.80 2gas h LYS 283 Cb 1.38 0.00 0.13 0.00 -1.58 0.00 0.00 32.23 32.17 2gas h LYS 283 CO -0.29 0.00 -0.58 0.41 -1.08 0.00 0.00 179.45 177.91 2gas n GLY 284 N 0.52 -0.40 0.03 3.86 0.00 -0.86 -4.91 105.19 103.44 2gas n GLY 284 Ca 0.02 0.19 0.05 0.00 0.00 0.00 0.00 46.02 46.28 2gas n GLY 284 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2gas n ASP 285 N -2.64 0.13 -0.57 1.61 5.68 -0.66 -1.13 116.55 118.97 2gas n ASP 285 Ca -0.10 0.54 0.13 0.00 -0.50 0.00 0.00 54.79 54.86 2gas n ASP 285 Cb 0.60 -0.57 0.30 0.00 -1.14 0.00 0.00 41.12 40.31 2gas n ASP 285 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2gas n ALA 286 N -1.56 2.77 -2.59 2.12 0.00 -1.26 -4.67 120.51 115.32 2gas n ALA 286 Ca 0.01 -0.53 -0.41 0.00 0.00 0.00 0.00 53.44 52.51 2gas n ALA 286 Cb 0.09 -1.01 -0.11 0.00 0.00 0.00 0.00 19.45 18.43 2gas n ALA 286 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2gas s VAL 287 N -2.16 5.09 -0.27 0.00 1.01 -0.28 -4.91 120.40 118.88 2gas s VAL 287 Ca 0.30 -0.47 -0.32 0.00 0.00 0.00 0.00 61.98 61.49 2gas s VAL 287 Cb 0.20 -3.71 0.18 0.00 0.00 0.00 0.00 36.38 33.04 2gas s VAL 287 CO 0.39 -0.13 1.33 -0.72 0.00 0.00 0.00 175.10 175.98 2gas s TYR 288 N 1.67 -0.06 0.10 5.22 1.13 -1.26 -5.02 117.35 119.13 2gas s TYR 288 Ca 0.05 0.08 -0.11 0.00 -1.41 0.00 0.00 57.07 55.68 2gas s TYR 288 Cb -0.18 0.50 -0.06 0.00 -1.10 0.00 0.00 41.96 41.12 2gas s TYR 288 CO 0.09 -0.06 0.43 -1.21 -2.51 0.00 0.00 175.55 172.29 2gas s GLU 289 N -1.38 3.80 0.35 -3.49 2.02 -1.26 -5.08 118.70 113.65 2gas s GLU 289 Ca 0.09 0.23 0.03 0.00 0.02 0.00 0.00 54.97 55.34 2gas s GLU 289 Cb -0.01 -2.97 -0.02 0.00 0.10 0.00 0.00 34.13 31.23 2gas s GLU 289 CO -0.06 0.54 0.52 0.96 0.02 0.00 0.00 175.26 177.24 2gas s ILE 290 N -1.43 4.66 -0.30 -1.63 -0.00 -1.26 -5.08 121.20 116.16 2gas s ILE 290 Ca 0.34 -0.70 -0.09 0.00 -0.00 0.00 0.00 60.65 60.20 2gas s ILE 290 Cb -0.14 -3.67 -0.01 0.00 -0.00 0.00 0.00 42.46 38.64 2gas s ILE 290 CO 0.18 -0.37 0.13 -0.62 -0.00 0.00 0.00 174.94 174.27 2gas s ASP 291 N -4.10 5.44 0.61 4.36 3.68 -1.26 -4.99 116.67 120.41 2gas s ASP 291 Ca 0.42 -0.52 0.30 0.00 2.13 0.00 0.00 52.55 54.87 2gas s ASP 291 Cb -0.10 -1.97 1.62 0.00 -1.45 0.00 0.00 42.92 41.02 2gas s ASP 291 CO 0.34 -0.18 2.00 1.55 0.13 0.00 0.00 175.17 179.01 2gas h PRO 292 N 8.32 0.00 0.00 4.34 0.13 -1.99 0.55 132.00 143.35 2gas h PRO 292 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2gas h PRO 292 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2gas h PRO 292 CO 0.61 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.38 2gas h ALA 293 N 1.58 1.00 0.00 -0.56 0.00 -2.01 -3.37 119.26 115.90 2gas h ALA 293 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2gas h ALA 293 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2gas h ALA 293 CO -0.00 0.00 -0.11 1.63 0.00 0.00 0.00 179.25 180.77 2gas n LYS 294 N -2.99 3.33 -4.30 0.00 5.02 -0.11 -4.97 118.16 114.13 2gas n LYS 294 Ca 0.03 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.11 2gas n LYS 294 Cb 0.44 -0.35 -0.11 0.00 -0.02 0.00 0.00 35.03 34.98 2gas n LYS 294 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2gas s ASP 295 N -0.59 2.48 -0.04 4.39 1.01 0.17 -1.11 116.67 122.97 2gas s ASP 295 Ca 0.00 -0.82 0.03 0.00 0.71 0.00 0.00 52.55 52.47 2gas s ASP 295 Cb 0.00 -0.13 0.00 0.00 1.01 0.00 0.00 42.92 43.80 2gas s ASP 295 CO 0.00 -0.05 -0.13 -0.63 0.21 0.00 0.00 175.17 174.57 2gas s ILE 296 N -1.93 1.10 -0.41 0.77 -1.09 -0.04 -4.46 121.20 115.14 2gas s ILE 296 Ca 0.12 -0.51 -0.16 0.00 -2.23 0.00 0.00 60.65 57.87 2gas s ILE 296 Cb -0.06 -0.97 0.02 0.00 -1.58 0.00 0.00 42.46 39.86 2gas s ILE 296 CO 0.05 0.33 0.37 -0.70 -1.23 0.00 0.00 174.94 173.77 2gas s GLU 297 N 0.29 3.12 0.26 2.79 2.56 -1.26 -0.78 118.70 125.68 2gas s GLU 297 Ca -0.07 -0.80 -0.01 0.00 0.00 0.00 0.00 54.97 54.08 2gas s GLU 297 Cb -0.12 -3.95 0.53 0.00 2.00 0.00 0.00 34.13 32.60 2gas s GLU 297 CO 0.02 -0.76 1.74 0.00 -0.56 0.00 0.00 175.26 175.69 2gas h ALA 298 N 8.66 1.22 0.00 6.30 0.00 -1.31 0.11 119.26 134.23 2gas h ALA 298 Ca -0.27 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2gas h ALA 298 Cb 1.12 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2gas h ALA 298 CO 0.76 -0.17 -0.07 0.66 0.00 0.00 0.00 179.25 180.42 2gas h SER 299 N 0.52 0.00 0.26 0.00 4.64 -1.84 0.94 113.55 118.07 2gas h SER 299 Ca 0.46 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.44 2gas h SER 299 Cb 0.71 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.77 2gas h SER 299 CO -0.40 0.07 -1.86 -0.33 -0.87 0.00 0.00 176.83 173.44 2gas h GLU 300 N 0.00 0.20 0.08 4.77 4.39 -1.43 -3.25 114.58 119.33 2gas h GLU 300 Ca -0.00 -0.34 -0.25 0.00 0.34 0.00 0.00 59.36 59.12 2gas h GLU 300 Cb 0.19 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2gas h GLU 300 CO 0.01 1.01 -1.13 0.00 -1.16 0.00 0.00 179.01 177.74 2gas h ALA 301 N 0.38 0.22 -2.05 3.43 0.00 -0.91 -3.38 119.26 116.94 2gas h ALA 301 Ca -0.36 -0.86 -0.54 0.00 0.00 0.00 0.00 54.91 53.15 2gas h ALA 301 Cb 2.03 -0.04 -0.41 0.00 0.00 0.00 0.00 17.79 19.37 2gas h ALA 301 CO 0.10 1.02 -0.88 0.66 0.00 0.00 0.00 179.25 180.15 2gas n TYR 302 N -3.52 2.46 0.28 0.00 4.01 0.30 -4.90 117.16 115.79 2gas n TYR 302 Ca -0.06 -3.80 0.17 0.00 -0.16 0.00 0.00 57.90 54.06 2gas n TYR 302 Cb 0.97 -0.43 0.86 0.00 -0.31 0.00 0.00 39.34 40.43 2gas n TYR 302 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2gas h PRO 303 N 2.96 0.00 0.00 -0.72 0.13 -1.73 -2.49 132.00 130.15 2gas h PRO 303 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2gas h PRO 303 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2gas h PRO 303 CO 0.69 0.00 0.00 0.38 -0.23 0.00 0.00 178.00 178.84 2gas h ASP 304 N 0.00 0.00 -2.83 1.44 3.04 -1.90 -3.44 116.42 112.73 2gas h ASP 304 Ca 0.00 0.00 -0.56 0.00 -3.24 0.00 0.00 57.03 53.23 2gas h ASP 304 Cb 0.12 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.38 2gas h ASP 304 CO 0.00 0.00 1.03 -0.69 -2.04 0.00 0.00 179.24 177.54 2gas s VAL 305 N -3.31 3.91 -0.77 4.15 1.01 -0.94 -4.94 120.40 119.51 2gas s VAL 305 Ca 0.06 1.07 -0.23 0.00 0.00 0.00 0.00 61.98 62.88 2gas s VAL 305 Cb 0.09 -3.80 0.07 0.00 0.00 0.00 0.00 36.38 32.74 2gas s VAL 305 CO 0.55 -0.22 1.11 -0.89 0.00 0.00 0.00 175.10 175.66 2gas s THR 306 N 4.28 4.25 0.45 3.92 2.01 -1.26 -5.01 115.64 124.28 2gas s THR 306 Ca 0.65 -0.53 -0.13 0.00 0.31 0.00 0.00 61.69 61.98 2gas s THR 306 Cb -0.25 -4.79 -0.07 0.00 0.01 0.00 0.00 72.50 67.40 2gas s THR 306 CO 0.24 -1.60 0.86 -0.72 -0.69 0.00 0.00 174.62 172.71 2gas s TYR 307 N 4.18 3.46 -0.01 4.92 1.13 -1.26 -5.03 117.35 124.74 2gas s TYR 307 Ca 0.29 1.23 -0.30 0.00 -1.41 0.00 0.00 57.07 56.88 2gas s TYR 307 Cb -0.11 -2.60 -0.04 0.00 -1.10 0.00 0.00 41.96 38.12 2gas s TYR 307 CO 0.04 -0.22 1.13 0.99 -2.51 0.00 0.00 175.55 174.99 2gas s THR 308 N -2.47 4.37 0.64 -3.49 2.01 -1.26 -5.02 115.64 110.42 2gas s THR 308 Ca 0.55 1.70 -0.11 0.00 0.31 0.00 0.00 61.69 64.13 2gas s THR 308 Cb -0.10 -4.09 -0.02 0.00 0.01 0.00 0.00 72.50 68.30 2gas s THR 308 CO 0.31 0.08 1.05 0.42 -0.69 0.00 0.00 174.62 175.78 2gas s THR 309 N 1.52 4.35 0.32 -0.82 -4.23 -1.26 -4.72 115.64 110.81 2gas s THR 309 Ca 0.55 0.75 0.01 0.00 -1.18 0.00 0.00 61.69 61.82 2gas s THR 309 Cb -0.25 -3.75 0.22 0.00 1.34 0.00 0.00 72.50 70.06 2gas s THR 309 CO 0.25 -0.99 1.93 0.00 -0.54 0.00 0.00 174.62 175.28 2gas h ALA 310 N -0.41 1.41 -0.18 3.99 0.00 -1.92 0.10 119.26 122.25 2gas h ALA 310 Ca -0.44 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 2gas h ALA 310 Cb 1.21 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2gas h ALA 310 CO 0.63 0.47 0.11 0.22 0.00 0.00 0.00 179.25 180.68 2gas h ASP 311 N 0.82 0.22 -0.46 0.00 3.58 -1.92 -1.74 116.42 116.91 2gas h ASP 311 Ca 0.21 -0.04 -0.05 0.00 0.42 0.00 0.00 57.03 57.57 2gas h ASP 311 Cb 0.07 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 2gas h ASP 311 CO -0.03 0.19 0.09 -0.33 -2.88 0.00 0.00 179.24 176.28 2gas h GLU 312 N 0.23 0.76 -0.64 0.28 5.08 -1.78 -3.03 114.58 115.48 2gas h GLU 312 Ca 0.07 -0.20 0.07 0.00 -1.00 0.00 0.00 59.36 58.30 2gas h GLU 312 Cb 0.01 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.11 2gas h GLU 312 CO -0.01 0.77 0.33 -0.92 -1.00 0.00 0.00 179.01 178.18 2gas h TYR 313 N 0.63 0.61 0.00 4.33 3.20 -0.58 -2.03 116.97 123.12 2gas h TYR 313 Ca 0.14 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.04 2gas h TYR 313 Cb 0.37 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.46 2gas h TYR 313 CO 0.03 0.27 0.00 -0.07 -1.64 0.00 0.00 178.16 176.74 2gas h LEU 314 N 0.61 0.00 -1.94 2.82 3.38 -1.23 -3.21 115.31 115.74 2gas h LEU 314 Ca 0.29 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.32 2gas h LEU 314 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2gas h LEU 314 CO -0.21 0.00 0.16 0.78 0.09 0.00 0.00 178.44 179.26 2gas h ASN 315 N 0.00 0.06 0.63 -0.43 2.35 -1.25 -1.61 115.58 115.34 2gas h ASN 315 Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2gas h ASN 315 Cb 0.43 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.79 2gas h ASN 315 CO 0.00 0.04 0.00 0.06 -1.65 0.00 0.00 177.43 175.88 2gas h GLN 316 N 0.07 0.00 -0.01 0.81 3.07 -1.72 -2.73 115.11 114.60 2gas h GLN 316 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.84 2gas h GLN 316 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.89 2gas h GLN 316 CO -0.01 0.00 -0.74 1.19 0.09 0.00 0.00 178.83 179.36 2gas n PHE 317 N -2.78 0.00 0.25 0.06 3.01 -0.61 -5.21 117.46 112.17 2gas n PHE 317 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.48 2gas n PHE 317 Cb 0.21 -0.03 0.12 0.00 -0.01 0.00 0.00 39.48 39.76 2gas n PHE 317 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05