#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1orf s ILE 17 N 0.00 5.35 -0.96 1.39 -1.09 0.59 -3.98 121.20 122.49 1orf s ILE 17 Ca 0.00 0.29 0.00 0.00 -2.23 0.00 0.00 60.65 58.71 1orf s ILE 17 Cb 0.00 -3.54 0.00 0.00 -1.58 0.00 0.00 42.46 37.34 1orf s ILE 17 CO 0.00 0.36 0.00 0.61 -1.23 0.00 0.00 174.94 174.68 1orf n GLY 18 N 3.92 0.98 0.71 6.18 0.00 -1.22 -2.15 105.19 113.61 1orf n GLY 18 Ca -0.14 -0.60 -0.04 0.00 0.00 0.00 0.00 46.02 45.24 1orf n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1orf n GLY 19 N -1.76 1.89 3.08 -0.02 0.00 -1.26 -4.86 105.19 102.26 1orf n GLY 19 Ca -0.09 -2.14 -0.09 0.00 0.00 0.00 0.00 46.02 43.69 1orf n GLY 19 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1orf s ASN 20 N -1.66 0.67 -0.08 1.61 0.01 -0.50 -4.87 114.94 110.12 1orf s ASN 20 Ca 0.11 -0.83 -0.31 0.00 -0.71 0.00 0.00 52.86 51.13 1orf s ASN 20 Cb -0.01 0.13 -0.09 0.00 0.41 0.00 0.00 41.25 41.69 1orf s ASN 20 CO 0.07 -0.44 2.03 1.21 -1.51 0.00 0.00 177.10 178.46 1orf n GLU 21 N 0.60 2.40 -1.58 -0.60 2.13 -1.26 -0.93 120.64 121.39 1orf n GLU 21 Ca -0.17 0.83 -0.40 0.00 0.66 0.00 0.00 57.16 58.08 1orf n GLU 21 Cb 0.59 -2.96 0.02 0.00 0.27 0.00 0.00 31.44 29.36 1orf n GLU 21 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1orf n VAL 22 N 6.11 2.66 -1.68 6.31 0.31 -0.84 -4.92 118.33 126.29 1orf n VAL 22 Ca 0.24 -0.50 -0.48 0.00 -0.01 0.00 0.00 64.34 63.60 1orf n VAL 22 Cb 0.38 -1.05 -0.05 0.00 -0.91 0.00 0.00 33.84 32.21 1orf n VAL 22 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1orf n THR 23 N -0.96 0.43 -1.65 2.52 -1.04 -1.26 -4.86 114.28 107.48 1orf n THR 23 Ca 0.11 -0.08 -0.59 0.00 -2.04 0.00 0.00 64.05 61.45 1orf n THR 23 Cb 0.42 -1.80 -0.08 0.00 -1.82 0.00 0.00 70.33 67.05 1orf n THR 23 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1orf n PRO 24 N 5.82 0.66 -1.21 -2.82 -0.02 -1.26 -1.25 135.00 134.92 1orf n PRO 24 Ca 0.21 0.24 -0.07 0.00 -2.02 0.00 0.00 63.50 61.86 1orf n PRO 24 Cb 0.30 -1.84 -0.03 0.00 -0.02 0.00 0.00 33.50 31.91 1orf n PRO 24 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1orf n HIS 25 N 3.54 0.00 1.92 6.00 8.25 -1.26 -4.88 115.22 128.79 1orf n HIS 25 Ca 0.24 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.82 1orf n HIS 25 Cb 0.09 -1.76 0.68 0.00 1.12 0.00 0.00 29.99 30.12 1orf n HIS 25 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1orf n SER 26 N -0.16 0.20 -3.20 0.41 3.41 -0.38 -4.00 113.62 109.89 1orf n SER 26 Ca -0.07 -1.30 -0.23 0.00 -0.26 0.00 0.00 58.87 57.02 1orf n SER 26 Cb 0.34 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.23 1orf n SER 26 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1orf n ARG 27 N -0.74 1.18 0.00 4.33 5.12 -1.26 -5.01 116.66 120.29 1orf n ARG 27 Ca 0.18 -3.55 0.07 0.00 -1.93 0.00 0.00 57.85 52.62 1orf n ARG 27 Cb 0.11 -1.56 0.35 0.00 -1.16 0.00 0.00 32.46 30.20 1orf n ARG 27 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1orf n PRO 28 N 0.89 0.14 0.00 5.56 -0.04 -1.26 -1.63 135.00 138.66 1orf n PRO 28 Ca 0.24 0.19 0.13 0.00 -0.04 0.00 0.00 63.50 64.01 1orf n PRO 28 Cb 0.55 -1.50 0.38 0.00 -0.04 0.00 0.00 33.50 32.88 1orf n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1orf n TYR 29 N -1.36 0.02 -2.26 0.54 4.11 -1.25 -1.99 117.16 114.96 1orf n TYR 29 Ca 0.06 0.01 -0.42 0.00 -0.00 0.00 0.00 57.90 57.55 1orf n TYR 29 Cb 0.13 -0.35 -0.03 0.00 -0.00 0.00 0.00 39.34 39.09 1orf n TYR 29 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.86 175.22 1orf s MET 30 N -3.00 4.39 -0.12 -3.48 -1.94 -0.65 -1.63 119.30 112.87 1orf s MET 30 Ca 0.12 1.98 0.00 0.00 -1.71 0.00 0.00 55.69 56.08 1orf s MET 30 Cb 0.18 -3.25 -0.01 0.00 2.01 0.00 0.00 34.83 33.76 1orf s MET 30 CO 0.64 -0.29 -0.14 0.08 -0.01 0.00 0.00 175.02 175.30 1orf s VAL 31 N 0.58 2.97 -0.22 -6.03 1.01 0.22 -4.42 120.40 114.51 1orf s VAL 31 Ca 0.59 -0.70 -0.14 0.00 0.00 0.00 0.00 61.98 61.74 1orf s VAL 31 Cb -0.35 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1orf s VAL 31 CO 0.34 0.53 0.31 -0.22 0.00 0.00 0.00 175.10 176.06 1orf s LEU 32 N 0.26 4.13 -0.38 3.92 2.96 -0.64 -1.56 118.68 127.36 1orf s LEU 32 Ca -0.10 0.34 -0.12 0.00 -0.22 0.00 0.00 54.13 54.03 1orf s LEU 32 Cb -0.16 -2.35 0.02 0.00 0.50 0.00 0.00 46.19 44.20 1orf s LEU 32 CO 0.06 -0.03 0.24 -0.76 -1.32 0.00 0.00 176.35 174.53 1orf s LEU 33 N 1.27 4.80 -0.81 -0.68 2.01 0.40 -0.38 118.68 125.28 1orf s LEU 33 Ca 0.14 -0.88 -0.20 0.00 0.01 0.00 0.00 54.13 53.21 1orf s LEU 33 Cb -0.14 -2.08 0.11 0.00 0.01 0.00 0.00 46.19 44.09 1orf s LEU 33 CO 0.07 -0.38 1.02 -0.55 1.01 0.00 0.00 176.35 177.52 1orf s SER 34 N 1.62 6.45 -0.09 2.29 0.15 -0.22 -1.27 113.70 122.63 1orf s SER 34 Ca 0.04 -1.70 -0.20 0.00 0.70 0.00 0.00 55.95 54.78 1orf s SER 34 Cb -0.19 -2.39 -0.17 0.00 -1.71 0.00 0.00 66.02 61.57 1orf s SER 34 CO 0.08 -1.16 0.71 -0.07 1.20 0.00 0.00 173.24 174.01 1orf h LEU 35 N 10.54 -0.08 0.00 3.45 3.38 -1.77 -0.79 115.31 130.05 1orf h LEU 35 Ca -0.02 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1orf h LEU 35 Cb 1.04 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1orf h LEU 35 CO 1.12 0.61 0.00 -0.90 0.09 0.00 0.00 178.44 179.36 1orf n ASP 36 N -4.79 0.00 0.08 -0.43 5.75 -1.09 -4.12 116.55 111.95 1orf n ASP 36 Ca -0.07 0.00 -0.10 0.00 -0.01 0.00 0.00 54.79 54.61 1orf n ASP 36 Cb 0.29 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.27 1orf n ASP 36 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1orf h ARG 37 N 0.00 0.11 0.00 0.11 -0.00 -2.01 -3.33 114.38 109.26 1orf h ARG 37 Ca 0.00 -0.18 0.00 0.00 -0.50 0.00 0.00 59.98 59.30 1orf h ARG 37 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 29.97 30.04 1orf h ARG 37 CO 0.00 1.06 -1.08 1.63 0.00 0.00 0.00 179.97 181.58 1orf n LYS 38 N -3.45 0.27 -4.23 0.04 4.01 -1.26 -4.99 118.16 108.55 1orf n LYS 38 Ca -0.03 -0.02 -0.19 0.00 -0.51 0.00 0.00 58.31 57.56 1orf n LYS 38 Cb 0.95 -1.47 -0.16 0.00 -0.51 0.00 0.00 35.03 33.84 1orf n LYS 38 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1orf s THR 39 N -3.00 0.56 0.35 -0.18 2.01 -1.25 -5.07 115.64 109.05 1orf s THR 39 Ca 0.06 -0.21 0.07 0.00 0.31 0.00 0.00 61.69 61.91 1orf s THR 39 Cb 0.15 -0.53 -0.07 0.00 0.01 0.00 0.00 72.50 72.06 1orf s THR 39 CO 0.85 0.20 -0.01 0.27 -0.69 0.00 0.00 174.62 175.23 1orf s ILE 40 N 0.42 1.76 0.30 1.82 -4.36 -1.26 -2.61 121.20 117.27 1orf s ILE 40 Ca -0.06 -2.07 -0.04 0.00 -0.26 0.00 0.00 60.65 58.23 1orf s ILE 40 Cb -0.09 -2.76 -0.01 0.00 1.25 0.00 0.00 42.46 40.85 1orf s ILE 40 CO 0.00 -0.11 0.41 0.00 0.24 0.00 0.00 174.94 175.48 1orf n ALA 43 N -0.48 0.46 -3.78 0.00 0.00 0.40 -0.46 120.51 116.66 1orf n ALA 43 Ca 0.01 -2.07 0.02 0.00 0.00 0.00 0.00 53.44 51.40 1orf n ALA 43 Cb 0.62 1.24 0.00 0.00 0.00 0.00 0.00 19.45 21.31 1orf n ALA 43 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1orf s GLY 44 N -3.52 -0.28 -0.07 0.00 0.00 -0.60 -3.96 107.32 98.88 1orf s GLY 44 Ca 0.08 0.39 0.05 0.00 0.00 0.00 0.00 44.72 45.24 1orf s GLY 44 CO 0.06 2.54 -0.22 0.00 0.00 0.00 0.00 173.10 175.48 1orf s ALA 45 N -2.22 2.30 -0.33 3.20 0.00 -0.30 -0.61 121.76 123.80 1orf s ALA 45 Ca 0.21 -1.01 -0.29 0.00 0.00 0.00 0.00 51.96 50.87 1orf s ALA 45 Cb 0.02 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.34 1orf s ALA 45 CO -0.02 0.39 1.38 -1.17 0.00 0.00 0.00 175.76 176.34 1orf s LEU 46 N -0.10 3.79 -0.00 0.00 2.96 -0.65 -1.00 118.68 123.68 1orf s LEU 46 Ca -0.05 1.14 0.11 0.00 -0.22 0.00 0.00 54.13 55.11 1orf s LEU 46 Cb -0.14 -3.54 -0.13 0.00 0.50 0.00 0.00 46.19 42.87 1orf s LEU 46 CO 0.04 -1.22 0.45 2.30 -1.32 0.00 0.00 176.35 176.60 1orf n ILE 47 N 6.52 0.00 -3.74 6.68 -5.35 0.38 -0.55 119.36 123.30 1orf n ILE 47 Ca 0.16 -0.24 -0.09 0.00 -0.27 0.00 0.00 62.75 62.31 1orf n ILE 47 Cb 0.47 0.87 -0.03 0.00 -1.74 0.00 0.00 39.64 39.21 1orf n ILE 47 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1orf s ALA 48 N -2.20 -1.02 0.53 -1.28 0.00 -1.14 -4.74 121.76 111.90 1orf s ALA 48 Ca 0.03 -0.20 0.26 0.00 0.00 0.00 0.00 51.96 52.05 1orf s ALA 48 Cb 0.08 0.87 1.41 0.00 0.00 0.00 0.00 23.12 25.48 1orf s ALA 48 CO 0.47 -0.85 1.97 0.87 0.00 0.00 0.00 175.76 178.23 1orf h LYS 49 N 2.14 0.01 0.00 0.00 1.57 -1.94 -1.86 116.57 116.49 1orf h LYS 49 Ca -0.27 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1orf h LYS 49 Cb 1.26 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 1orf h LYS 49 CO 0.35 0.01 -0.19 -0.40 -0.57 0.00 0.00 179.45 178.64 1orf n ASP 50 N -4.36 2.01 -3.99 0.86 3.85 -1.26 -0.27 116.55 113.39 1orf n ASP 50 Ca 0.12 -3.22 -0.26 0.00 -0.71 0.00 0.00 54.79 50.72 1orf n ASP 50 Cb 0.67 -0.44 -0.17 0.00 -1.35 0.00 0.00 41.12 39.84 1orf n ASP 50 CO 0.00 0.00 0.00 0.26 -1.01 0.00 0.00 177.20 176.45 1orf s TRP 51 N -2.74 1.51 -0.16 2.11 0.52 -0.70 -0.56 118.94 118.93 1orf s TRP 51 Ca 0.32 -0.64 -0.01 0.00 0.02 0.00 0.00 56.10 55.79 1orf s TRP 51 Cb 0.29 -1.15 -0.01 0.00 -1.15 0.00 0.00 33.47 31.45 1orf s TRP 51 CO -0.00 -0.37 -0.11 0.08 0.02 0.00 0.00 176.95 176.57 1orf s VAL 52 N 1.02 3.12 -0.22 4.03 1.01 -0.42 -0.47 120.40 128.47 1orf s VAL 52 Ca -0.08 -0.62 -0.12 0.00 0.00 0.00 0.00 61.98 61.16 1orf s VAL 52 Cb -0.15 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 1orf s VAL 52 CO -0.01 0.50 0.24 -0.22 0.00 0.00 0.00 175.10 175.61 1orf s LEU 53 N 0.67 4.15 0.00 3.92 2.96 -0.17 -0.01 118.68 130.20 1orf s LEU 53 Ca -0.06 0.27 0.00 0.00 -0.22 0.00 0.00 54.13 54.12 1orf s LEU 53 Cb -0.15 -2.24 0.00 0.00 0.50 0.00 0.00 46.19 44.29 1orf s LEU 53 CO 0.02 0.04 0.00 1.07 -1.32 0.00 0.00 176.35 176.16 1orf n THR 54 N 4.18 0.00 -3.77 3.68 5.66 0.26 -1.14 114.28 123.14 1orf n THR 54 Ca -0.13 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.53 1orf n THR 54 Cb 0.52 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.25 1orf n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1orf s ALA 55 N -2.00 3.86 0.40 1.79 0.00 -1.26 -0.94 121.76 123.61 1orf s ALA 55 Ca 0.00 -0.60 0.14 0.00 0.00 0.00 0.00 51.96 51.50 1orf s ALA 55 Cb 0.00 -2.05 0.86 0.00 0.00 0.00 0.00 23.12 21.93 1orf s ALA 55 CO 0.00 0.67 1.90 0.00 0.00 0.00 0.00 175.76 178.33 1orf h ALA 56 N 3.76 1.48 0.00 0.00 0.00 -1.63 -2.78 119.26 120.09 1orf h ALA 56 Ca -0.49 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1orf h ALA 56 Cb 1.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1orf h ALA 56 CO 0.68 0.37 0.00 -2.39 0.00 0.00 0.00 179.25 177.90 1orf n HIS 57 N -4.13 0.00 -2.72 0.00 1.44 -1.26 -4.59 115.22 103.95 1orf n HIS 57 Ca -0.02 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.26 1orf n HIS 57 Cb 0.34 -0.45 -0.03 0.00 0.12 0.00 0.00 29.99 29.97 1orf n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1orf s ASN 59 N 2.82 6.44 0.35 0.00 0.01 -1.26 -4.99 114.94 118.30 1orf s ASN 59 Ca 0.37 0.41 -0.09 0.00 -0.71 0.00 0.00 52.86 52.84 1orf s ASN 59 Cb -0.10 -2.30 -0.06 0.00 0.41 0.00 0.00 41.25 39.20 1orf s ASN 59 CO 0.23 -0.38 0.68 -0.76 -1.51 0.00 0.00 177.10 175.36 1orf s LEU 60 N 2.43 3.95 0.00 0.60 1.43 -1.26 -4.82 118.68 121.01 1orf s LEU 60 Ca 0.22 1.00 0.00 0.00 -1.03 0.00 0.00 54.13 54.32 1orf s LEU 60 Cb -0.15 -3.84 0.00 0.00 0.03 0.00 0.00 46.19 42.22 1orf s LEU 60 CO 0.11 -0.29 0.00 -0.46 0.23 0.00 0.00 176.35 175.94 1orf n ASN 61 N -1.00 1.48 0.19 2.29 0.23 -1.26 -5.01 115.26 112.19 1orf n ASN 61 Ca 0.01 -0.88 0.05 0.00 -0.53 0.00 0.00 54.58 53.23 1orf n ASN 61 Cb 0.54 0.00 0.39 0.00 -2.08 0.00 0.00 39.78 38.63 1orf n ASN 61 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 1orf h LYS 62 N 0.00 0.00 -0.00 -3.83 -0.00 -2.00 -2.75 116.57 107.99 1orf h LYS 62 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 1orf h LYS 62 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.23 1orf h LYS 62 CO 0.00 0.35 -0.11 0.54 -0.00 0.00 0.00 179.45 180.24 1orf n ARG 62 N -3.82 0.17 -1.97 0.07 3.00 -1.26 -4.95 116.66 107.90 1orf n ARG 62 Ca -0.01 -0.04 -0.37 0.00 -0.01 0.00 0.00 57.85 57.43 1orf n ARG 62 Cb 0.43 -1.50 0.03 0.00 0.00 0.00 0.00 32.46 31.42 1orf n ARG 62 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1orf s SER 63 N -2.85 5.24 0.02 0.55 0.01 -1.04 -4.99 113.70 110.64 1orf s SER 63 Ca 0.18 2.48 0.05 0.00 1.31 0.00 0.00 55.95 59.97 1orf s SER 63 Cb 0.19 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.79 1orf s SER 63 CO 0.54 -1.56 -0.16 -1.10 0.41 0.00 0.00 173.24 171.37 1orf s GLN 64 N -3.19 1.11 -0.30 12.44 -0.21 -0.30 -4.80 119.66 124.41 1orf s GLN 64 Ca 0.76 -0.71 -0.06 0.00 0.02 0.00 0.00 55.36 55.37 1orf s GLN 64 Cb -0.33 -1.12 0.02 0.00 1.00 0.00 0.00 33.01 32.58 1orf s GLN 64 CO 0.37 0.29 0.07 0.14 -2.12 0.00 0.00 175.29 174.04 1orf s VAL 66 N -0.66 3.84 -0.23 1.09 -7.23 -0.97 -1.05 120.40 115.19 1orf s VAL 66 Ca 0.04 -0.79 -0.07 0.00 -1.81 0.00 0.00 61.98 59.35 1orf s VAL 66 Cb -0.07 -3.01 -0.03 0.00 0.56 0.00 0.00 36.38 33.83 1orf s VAL 66 CO 0.01 0.05 0.06 -0.63 -0.31 0.00 0.00 175.10 174.28 1orf s ILE 67 N 1.47 4.36 0.20 -0.62 1.01 0.48 -0.34 121.20 127.76 1orf s ILE 67 Ca 0.02 -0.16 0.06 0.00 0.00 0.00 0.00 60.65 60.56 1orf s ILE 67 Cb -0.17 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 1orf s ILE 67 CO 0.02 0.37 0.17 -0.76 0.00 0.00 0.00 174.94 174.74 1orf s LEU 68 N 1.29 3.83 -1.85 2.97 1.43 -0.38 -1.63 118.68 124.34 1orf s LEU 68 Ca 0.05 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1orf s LEU 68 Cb -0.15 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.67 1orf s LEU 68 CO 0.03 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.24 1orf n GLY 69 N -0.71 -0.13 3.87 -3.19 0.00 -1.26 -1.11 105.19 102.66 1orf n GLY 69 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 1orf n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1orf s ALA 70 N -3.00 3.49 0.10 4.61 0.00 -1.26 -3.83 121.76 121.86 1orf s ALA 70 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1orf s ALA 70 Cb 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.59 1orf s ALA 70 CO 0.00 0.44 0.00 1.58 0.00 0.00 0.00 175.76 177.78 1orf n HIS 71 N -0.25 -0.01 -3.52 0.00 -0.00 -1.26 -4.66 115.22 105.51 1orf n HIS 71 Ca 0.01 0.00 -0.35 0.00 0.46 0.00 0.00 57.72 57.84 1orf n HIS 71 Cb 0.53 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.34 1orf n HIS 71 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1orf s SER 72 N -5.95 6.71 -0.02 0.26 0.15 -1.26 -1.41 113.70 112.18 1orf s SER 72 Ca 0.00 0.88 -0.24 0.00 0.70 0.00 0.00 55.95 57.29 1orf s SER 72 Cb 0.00 -2.21 -0.20 0.00 -1.71 0.00 0.00 66.02 61.90 1orf s SER 72 CO 0.00 0.19 1.20 0.40 1.20 0.00 0.00 173.24 176.23 1orf h ILE 73 N 3.02 1.44 0.00 6.45 2.04 -0.77 -3.40 117.51 126.29 1orf h ILE 73 Ca -0.49 -1.49 -0.02 0.00 1.00 0.00 0.00 64.86 63.85 1orf h ILE 73 Cb 1.20 2.30 -0.00 0.00 -0.74 0.00 0.00 36.82 39.58 1orf h ILE 73 CO 0.65 0.41 -0.16 0.74 0.00 0.00 0.00 178.15 179.80 1orf h THR 74 N -0.36 0.96 -2.69 -0.27 2.02 -1.96 -3.47 112.91 107.15 1orf h THR 74 Ca -0.00 -1.77 -0.60 0.00 0.77 0.00 0.00 66.41 64.81 1orf h THR 74 Cb 0.73 1.86 0.10 0.00 -1.74 0.00 0.00 68.15 69.10 1orf h THR 74 CO 0.03 0.33 0.32 0.54 0.37 0.00 0.00 175.52 177.11 1orf n ARG 75 N -4.65 1.66 -2.65 6.66 1.74 -1.26 -4.93 116.66 113.22 1orf n ARG 75 Ca -0.08 0.58 -0.42 0.00 -0.77 0.00 0.00 57.85 57.16 1orf n ARG 75 Cb 0.32 -2.07 -0.03 0.00 -1.02 0.00 0.00 32.46 29.66 1orf n ARG 75 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1orf s GLU 76 N -1.36 4.49 -0.04 5.56 0.41 -1.26 -4.85 118.70 121.65 1orf s GLU 76 Ca 0.61 1.48 0.03 0.00 -0.41 0.00 0.00 54.97 56.67 1orf s GLU 76 Cb -0.67 -3.48 0.01 0.00 -1.78 0.00 0.00 34.13 28.21 1orf s GLU 76 CO 0.58 -0.18 -0.11 -1.21 -0.49 0.00 0.00 175.26 173.86 1orf s GLU 77 N 1.38 1.28 0.60 1.61 2.02 -1.26 -5.02 118.70 119.31 1orf s GLU 77 Ca 0.52 -0.36 0.32 0.00 0.02 0.00 0.00 54.97 55.48 1orf s GLU 77 Cb -0.22 -1.14 1.89 0.00 0.10 0.00 0.00 34.13 34.76 1orf s GLU 77 CO 0.25 0.09 2.25 -1.00 0.02 0.00 0.00 175.26 176.87 1orf h PRO 78 N 6.63 0.00 0.00 0.39 0.13 -1.96 -2.70 132.00 134.49 1orf h PRO 78 Ca -0.33 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.75 1orf h PRO 78 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1orf h PRO 78 CO 0.48 0.02 -0.24 1.79 -0.23 0.00 0.00 178.00 179.82 1orf h THR 79 N 0.00 0.56 -3.85 1.56 1.35 -1.95 -3.46 112.91 107.10 1orf h THR 79 Ca -0.00 -1.22 -0.52 0.00 -0.55 0.00 0.00 66.41 64.12 1orf h THR 79 Cb 0.06 1.84 0.06 0.00 -1.73 0.00 0.00 68.15 68.38 1orf h THR 79 CO 0.00 0.24 0.63 -0.54 -0.25 0.00 0.00 175.52 175.60 1orf s LYS 80 N -3.56 4.37 -0.20 4.72 1.02 -1.02 -4.43 119.74 120.63 1orf s LYS 80 Ca 0.01 2.19 0.01 0.00 0.02 0.00 0.00 55.97 58.20 1orf s LYS 80 Cb 0.10 -3.08 0.04 0.00 -0.52 0.00 0.00 37.83 34.37 1orf s LYS 80 CO 0.65 -0.17 -0.10 -0.65 -0.92 0.00 0.00 175.35 174.15 1orf s GLN 81 N -1.71 2.06 -0.45 1.68 -0.21 -0.27 -4.97 119.66 115.80 1orf s GLN 81 Ca 0.49 -0.88 -0.23 0.00 0.02 0.00 0.00 55.36 54.75 1orf s GLN 81 Cb -0.39 -2.46 0.03 0.00 1.00 0.00 0.00 33.01 31.18 1orf s GLN 81 CO 0.52 -0.44 0.79 0.42 -2.12 0.00 0.00 175.29 174.46 1orf s ILE 82 N 1.37 4.65 0.24 1.08 1.01 -1.26 -1.25 121.20 127.04 1orf s ILE 82 Ca -0.02 0.45 0.07 0.00 0.00 0.00 0.00 60.65 61.15 1orf s ILE 82 Cb -0.16 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 37.95 1orf s ILE 82 CO -0.08 -0.71 0.19 -0.04 0.00 0.00 0.00 174.94 174.30 1orf s MET 83 N 3.30 2.93 0.10 2.79 -1.94 0.54 -4.98 119.30 122.03 1orf s MET 83 Ca 0.30 -1.02 0.09 0.00 -1.71 0.00 0.00 55.69 53.35 1orf s MET 83 Cb -0.12 -2.58 -0.03 0.00 2.01 0.00 0.00 34.83 34.10 1orf s MET 83 CO 0.23 0.41 -0.22 -0.51 -0.01 0.00 0.00 175.02 174.92 1orf s LEU 84 N -3.73 2.28 -0.15 -0.03 1.43 -1.26 -2.30 118.68 114.91 1orf s LEU 84 Ca 0.33 -0.67 -0.22 0.00 -1.03 0.00 0.00 54.13 52.54 1orf s LEU 84 Cb -0.08 -0.99 -0.03 0.00 0.03 0.00 0.00 46.19 45.13 1orf s LEU 84 CO 0.25 0.11 0.67 -0.69 0.23 0.00 0.00 176.35 176.92 1orf s VAL 85 N -1.07 5.01 -0.15 -1.59 1.01 -1.26 0.00 120.40 122.36 1orf s VAL 85 Ca 0.08 1.32 -0.24 0.00 0.00 0.00 0.00 61.98 63.14 1orf s VAL 85 Cb -0.10 -4.00 -0.24 0.00 0.00 0.00 0.00 36.38 32.04 1orf s VAL 85 CO 0.04 0.14 0.57 0.50 0.00 0.00 0.00 175.10 176.36 1orf h LYS 86 N 7.22 0.06 -2.77 2.72 3.64 -0.51 -3.43 116.57 123.50 1orf h LYS 86 Ca -0.34 -0.10 -0.13 0.00 -1.27 0.00 0.00 60.65 58.81 1orf h LYS 86 Cb 1.16 0.04 -0.25 0.00 -0.41 0.00 0.00 32.23 32.77 1orf h LYS 86 CO 0.78 1.05 -0.26 0.21 -2.27 0.00 0.00 179.45 178.95 1orf s LYS 87 N -2.32 0.45 -0.01 1.90 2.20 -1.14 -5.02 119.74 115.81 1orf s LYS 87 Ca -0.22 0.58 -0.19 0.00 -0.36 0.00 0.00 55.97 55.78 1orf s LYS 87 Cb 0.01 0.18 -0.05 0.00 -1.51 0.00 0.00 37.83 36.46 1orf s LYS 87 CO 0.68 -0.07 0.55 -1.21 -0.36 0.00 0.00 175.35 174.94 1orf s GLU 88 N 0.40 4.26 -0.62 4.03 2.02 -1.26 -0.84 118.70 126.68 1orf s GLU 88 Ca -0.02 0.66 0.05 0.00 0.02 0.00 0.00 54.97 55.69 1orf s GLU 88 Cb -0.04 -3.33 0.20 0.00 0.10 0.00 0.00 34.13 31.07 1orf s GLU 88 CO -0.02 0.42 0.54 1.19 0.02 0.00 0.00 175.26 177.42 1orf n PHE 89 N 2.60 2.44 -2.21 1.61 3.01 0.68 -5.00 117.46 120.59 1orf n PHE 89 Ca -0.08 -4.06 -0.41 0.00 1.01 0.00 0.00 57.45 53.91 1orf n PHE 89 Cb 0.51 -0.45 -0.03 0.00 -0.01 0.00 0.00 39.48 39.50 1orf n PHE 89 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1orf s PRO 90 N -1.50 4.39 -0.33 -1.08 0.04 -1.26 -1.60 135.00 133.67 1orf s PRO 90 Ca 0.31 2.07 -0.41 0.00 0.04 0.00 0.00 61.00 63.01 1orf s PRO 90 Cb 0.04 -3.18 -0.16 0.00 0.04 0.00 0.00 34.50 31.24 1orf s PRO 90 CO -0.13 -0.23 1.77 0.98 0.04 0.00 0.00 177.00 179.44 1orf n TYR 91 N 2.37 1.96 0.32 0.56 9.36 -0.69 -4.86 117.16 126.17 1orf n TYR 91 Ca 0.05 0.61 0.21 0.00 3.32 0.00 0.00 57.90 62.09 1orf n TYR 91 Cb 0.43 -2.43 1.08 0.00 -0.63 0.00 0.00 39.34 37.79 1orf n TYR 91 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 1orf h PRO 92 N 7.33 0.00 -0.57 2.98 0.11 -1.91 -1.78 132.00 138.16 1orf h PRO 92 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1orf h PRO 92 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1orf h PRO 92 CO 0.97 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.76 1orf n TYR 94 N 1.58 2.32 -3.94 0.00 9.36 -0.67 -4.61 117.16 121.20 1orf n TYR 94 Ca 0.22 0.12 -0.34 0.00 3.32 0.00 0.00 57.90 61.22 1orf n TYR 94 Cb 0.61 -2.61 -0.14 0.00 -0.63 0.00 0.00 39.34 36.58 1orf n TYR 94 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1orf s ASP 95 N 2.34 4.82 0.53 2.98 -1.08 -0.10 -4.99 116.67 121.17 1orf s ASP 95 Ca 0.85 -1.50 0.27 0.00 -0.52 0.00 0.00 52.55 51.65 1orf s ASP 95 Cb -0.67 -1.68 1.49 0.00 -1.46 0.00 0.00 42.92 40.60 1orf s ASP 95 CO 0.43 -0.29 2.10 -0.65 0.52 0.00 0.00 175.17 177.28 1orf h PRO 96 N 7.91 0.00 0.02 4.34 0.11 -1.93 0.15 132.00 142.59 1orf h PRO 96 Ca -0.18 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.76 1orf h PRO 96 Cb 1.05 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.17 1orf h PRO 96 CO 0.54 0.10 -0.67 0.00 -0.21 0.00 0.00 178.00 177.75 1orf h ALA 97 N 1.90 0.06 0.00 -0.75 0.00 -1.95 -3.31 119.26 115.20 1orf h ALA 97 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1orf h ALA 97 Cb 0.28 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1orf h ALA 97 CO 0.01 0.38 -0.55 0.25 0.00 0.00 0.00 179.25 179.35 1orf n THR 98 N -4.17 0.22 -0.88 0.00 -2.24 -1.20 -4.95 114.28 101.07 1orf n THR 98 Ca -0.11 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1orf n THR 98 Cb 0.71 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 1orf n THR 98 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1orf n ARG 99 N -1.88 -0.10 -2.00 -0.78 5.12 0.49 -4.84 116.66 112.67 1orf n ARG 99 Ca 0.04 0.02 -0.41 0.00 -1.93 0.00 0.00 57.85 55.58 1orf n ARG 99 Cb 0.40 -3.16 -0.01 0.00 -1.16 0.00 0.00 32.46 28.53 1orf n ARG 99 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1orf s GLU 100 N -0.34 4.26 -1.44 5.56 2.56 -1.08 -3.31 118.70 124.92 1orf s GLU 100 Ca 0.00 2.35 -0.10 0.00 0.00 0.00 0.00 54.97 57.22 1orf s GLU 100 Cb 0.00 -3.03 0.04 0.00 2.00 0.00 0.00 34.13 33.13 1orf s GLU 100 CO 0.00 -0.32 1.02 0.41 -0.56 0.00 0.00 175.26 175.80 1orf n GLY 101 N 0.74 -0.53 3.19 -1.50 0.00 -1.26 -0.93 105.19 104.91 1orf n GLY 101 Ca 0.01 0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 1orf n GLY 101 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1orf n ASP 102 N -2.86 2.92 -4.04 1.61 2.03 -1.21 -3.97 116.55 111.03 1orf n ASP 102 Ca 0.00 -2.71 -0.16 0.00 0.52 0.00 0.00 54.79 52.44 1orf n ASP 102 Cb 0.56 -1.35 -0.13 0.00 -0.72 0.00 0.00 41.12 39.48 1orf n ASP 102 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1orf s LEU 103 N 3.65 2.13 -0.18 -2.67 1.43 -1.26 -3.55 118.68 118.22 1orf s LEU 103 Ca 0.59 -0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 53.24 1orf s LEU 103 Cb 0.10 -0.34 0.06 0.00 0.03 0.00 0.00 46.19 46.04 1orf s LEU 103 CO 0.10 -0.02 0.45 -0.75 0.23 0.00 0.00 176.35 176.35 1orf s LYS 104 N -0.84 0.45 -0.21 1.70 2.20 -0.11 -1.71 119.74 121.22 1orf s LYS 104 Ca -0.02 0.80 -0.11 0.00 -0.36 0.00 0.00 55.97 56.28 1orf s LYS 104 Cb -0.06 0.05 -0.05 0.00 -1.51 0.00 0.00 37.83 36.26 1orf s LYS 104 CO 0.00 -0.14 0.16 -0.51 -0.36 0.00 0.00 175.35 174.50 1orf s LEU 105 N 1.16 4.17 -0.27 5.43 1.43 -0.63 -0.58 118.68 129.41 1orf s LEU 105 Ca -0.07 0.20 -0.08 0.00 -1.03 0.00 0.00 54.13 53.15 1orf s LEU 105 Cb -0.07 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 1orf s LEU 105 CO -0.10 0.13 0.09 -0.76 0.23 0.00 0.00 176.35 175.93 1orf s LEU 106 N 0.65 3.64 -0.06 1.79 1.43 0.99 -0.23 118.68 126.90 1orf s LEU 106 Ca 0.08 -0.32 -0.24 0.00 -1.03 0.00 0.00 54.13 52.62 1orf s LEU 106 Cb -0.12 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 1orf s LEU 106 CO 0.01 -0.09 0.75 -1.58 0.23 0.00 0.00 176.35 175.67 1orf s GLN 107 N 1.61 4.45 0.20 1.70 0.74 -0.02 -1.30 119.66 127.03 1orf s GLN 107 Ca 0.06 0.97 -0.12 0.00 0.05 0.00 0.00 55.36 56.31 1orf s GLN 107 Cb -0.16 -3.45 -0.07 0.00 1.10 0.00 0.00 33.01 30.43 1orf s GLN 107 CO 0.04 0.03 0.56 -0.51 -0.55 0.00 0.00 175.29 174.86 1orf s LEU 108 N 0.88 4.24 0.49 3.68 1.02 0.28 0.17 118.68 129.45 1orf s LEU 108 Ca 0.40 1.01 0.16 0.00 0.02 0.00 0.00 54.13 55.72 1orf s LEU 108 Cb -0.18 -3.51 1.20 0.00 0.02 0.00 0.00 46.19 43.72 1orf s LEU 108 CO 0.19 0.00 2.09 0.71 0.02 0.00 0.00 176.35 179.37 1orf h THR 109 N 2.37 0.96 -3.97 5.49 1.35 -0.70 -3.41 112.91 115.00 1orf h THR 109 Ca -0.48 -0.05 -0.31 0.00 -0.55 0.00 0.00 66.41 65.03 1orf h THR 109 Cb 1.18 0.81 -0.15 0.00 -1.73 0.00 0.00 68.15 68.27 1orf h THR 109 CO 0.67 0.02 -0.63 -1.61 -0.25 0.00 0.00 175.52 173.73 1orf s GLU 110 N -5.17 1.28 0.13 4.72 0.41 -1.26 -5.01 118.70 113.80 1orf s GLU 110 Ca -0.06 -1.67 -0.29 0.00 -0.41 0.00 0.00 54.97 52.54 1orf s GLU 110 Cb 0.18 -0.13 -0.06 0.00 -1.78 0.00 0.00 34.13 32.34 1orf s GLU 110 CO 0.70 -0.28 0.93 0.15 -0.49 0.00 0.00 175.26 176.27 1orf s LYS 111 N -4.04 4.70 0.64 1.61 3.01 -1.26 -4.59 119.74 119.81 1orf s LYS 111 Ca 0.34 1.40 -0.18 0.00 -1.01 0.00 0.00 55.97 56.53 1orf s LYS 111 Cb 0.07 -3.36 -0.02 0.00 -1.01 0.00 0.00 37.83 33.52 1orf s LYS 111 CO 0.11 0.28 1.23 0.00 0.51 0.00 0.00 175.35 177.48 1orf n ALA 112 N 2.54 0.96 -2.52 5.17 0.00 0.62 -4.99 120.51 122.30 1orf n ALA 112 Ca 0.01 -0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.02 1orf n ALA 112 Cb 0.49 -2.28 -0.07 0.00 0.00 0.00 0.00 19.45 17.59 1orf n ALA 112 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1orf s LYS 113 N -3.26 3.32 0.26 0.00 3.01 -1.26 -4.92 119.74 116.89 1orf s LYS 113 Ca 0.82 -0.35 -0.30 0.00 -1.01 0.00 0.00 55.97 55.13 1orf s LYS 113 Cb -0.39 -3.93 -0.09 0.00 -1.01 0.00 0.00 37.83 32.41 1orf s LYS 113 CO 0.41 -0.95 1.24 0.42 0.51 0.00 0.00 175.35 176.98 1orf s ILE 114 N 2.73 3.19 0.00 2.17 1.09 -1.26 -4.72 121.20 124.39 1orf s ILE 114 Ca 0.22 1.10 0.00 0.00 -1.10 0.00 0.00 60.65 60.86 1orf s ILE 114 Cb -0.14 -3.70 0.00 0.00 -1.06 0.00 0.00 42.46 37.56 1orf s ILE 114 CO 0.18 0.22 0.00 -0.46 -0.10 0.00 0.00 174.94 174.78 1orf n ASN 115 N 1.70 0.00 0.20 3.58 0.23 -0.62 -4.96 115.26 115.39 1orf n ASN 115 Ca 0.02 0.00 0.06 0.00 -0.53 0.00 0.00 54.58 54.13 1orf n ASN 115 Cb 0.43 0.00 0.41 0.00 -2.08 0.00 0.00 39.78 38.54 1orf n ASN 115 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1orf h LYS 116 N 0.00 0.00 0.00 -3.83 3.64 -2.00 -3.32 116.57 111.06 1orf h LYS 116 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1orf h LYS 116 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1orf h LYS 116 CO 0.00 0.34 -1.79 0.66 -2.27 0.00 0.00 179.45 176.39 1orf n TYR 117 N -3.68 0.00 -3.71 1.91 4.02 -1.26 -4.83 117.16 109.62 1orf n TYR 117 Ca -0.01 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.60 1orf n TYR 117 Cb 0.44 -0.40 -0.16 0.00 -0.02 0.00 0.00 39.34 39.20 1orf n TYR 117 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1orf s VAL 118 N -3.27 0.46 0.21 -0.72 1.01 -1.25 -4.05 120.40 112.79 1orf s VAL 118 Ca -0.06 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.32 1orf s VAL 118 Cb 0.12 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 35.40 1orf s VAL 118 CO 0.78 -0.31 -0.01 0.42 0.00 0.00 0.00 175.10 175.98 1orf s THR 119 N 1.88 0.97 -0.13 3.92 -4.23 -0.84 -1.59 115.64 115.62 1orf s THR 119 Ca 0.01 -2.03 -0.19 0.00 -1.18 0.00 0.00 61.69 58.31 1orf s THR 119 Cb -0.17 -2.26 -0.04 0.00 1.34 0.00 0.00 72.50 71.37 1orf s THR 119 CO -0.12 -0.38 0.52 -0.63 -0.54 0.00 0.00 174.62 173.46 1orf s ILE 120 N -3.46 5.15 -0.15 2.99 1.01 -1.26 -3.93 121.20 121.54 1orf s ILE 120 Ca 0.27 1.03 -0.23 0.00 0.00 0.00 0.00 60.65 61.71 1orf s ILE 120 Cb 0.05 -3.85 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 1orf s ILE 120 CO 0.07 0.29 0.73 -0.22 0.00 0.00 0.00 174.94 175.80 1orf s LEU 121 N 0.84 4.20 0.26 2.97 2.96 0.29 -4.98 118.68 125.22 1orf s LEU 121 Ca 0.27 1.05 -0.29 0.00 -0.22 0.00 0.00 54.13 54.94 1orf s LEU 121 Cb -0.15 -3.07 -0.09 0.00 0.50 0.00 0.00 46.19 43.37 1orf s LEU 121 CO 0.11 -0.28 0.97 -1.00 -1.32 0.00 0.00 176.35 174.83 1orf s HIS 122 N 1.72 3.88 0.56 5.38 3.76 -1.26 -4.53 115.29 124.81 1orf s HIS 122 Ca 0.35 1.87 -0.20 0.00 -0.15 0.00 0.00 55.06 56.92 1orf s HIS 122 Cb -0.17 -3.03 -0.05 0.00 1.11 0.00 0.00 32.58 30.45 1orf s HIS 122 CO 0.13 0.25 1.21 -0.51 -0.85 0.00 0.00 174.74 174.97 1orf s LEU 123 N -1.33 3.74 0.56 0.89 1.43 -1.26 -4.41 118.68 118.31 1orf s LEU 123 Ca 0.43 2.39 -0.19 0.00 -1.03 0.00 0.00 54.13 55.73 1orf s LEU 123 Cb -0.26 -4.51 -0.05 0.00 0.03 0.00 0.00 46.19 41.40 1orf s LEU 123 CO 0.33 -1.45 1.14 -2.16 0.23 0.00 0.00 176.35 174.44 1orf s PRO 124 N -3.19 3.23 0.06 1.29 0.04 -1.26 -4.96 135.00 130.21 1orf s PRO 124 Ca 0.74 1.63 -0.17 0.00 0.04 0.00 0.00 61.00 63.25 1orf s PRO 124 Cb -0.30 -1.99 -0.18 0.00 0.04 0.00 0.00 34.50 32.07 1orf s PRO 124 CO 0.34 -0.95 1.23 1.57 0.04 0.00 0.00 177.00 179.23 1orf h LYS 125 N 1.04 0.59 -5.69 4.56 2.10 -1.95 -3.44 116.57 113.78 1orf h LYS 125 Ca -0.50 -0.50 -0.67 0.00 -2.00 0.00 0.00 60.65 56.98 1orf h LYS 125 Cb 1.27 0.11 -0.26 0.00 -0.90 0.00 0.00 32.23 32.45 1orf h LYS 125 CO 0.56 1.13 -0.78 0.15 -2.00 0.00 0.00 179.45 178.51 1orf s LYS 126 N -3.63 3.04 -1.05 0.07 -0.14 -1.26 -5.04 119.74 111.74 1orf s LYS 126 Ca -0.12 -0.71 -0.07 0.00 -1.36 0.00 0.00 55.97 53.71 1orf s LYS 126 Cb 0.06 -2.51 -0.05 0.00 -1.68 0.00 0.00 37.83 33.65 1orf s LYS 126 CO 0.85 0.36 2.92 0.41 -0.76 0.00 0.00 175.35 179.13 1orf n GLY 127 N 3.09 4.26 3.78 -3.33 0.00 -1.26 -4.97 105.19 106.77 1orf n GLY 127 Ca -0.18 -1.64 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 1orf n GLY 127 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1orf s ASP 128 N 1.40 6.12 0.83 1.61 1.11 -1.26 -4.42 116.67 122.06 1orf s ASP 128 Ca 0.64 2.07 -0.13 0.00 0.18 0.00 0.00 52.55 55.30 1orf s ASP 128 Cb 0.24 -2.57 0.06 0.00 1.07 0.00 0.00 42.92 41.71 1orf s ASP 128 CO -0.08 -0.94 0.93 -0.67 1.18 0.00 0.00 175.17 175.59 1orf n ASP 129 N -0.98 0.01 -4.56 0.27 4.64 -1.26 -4.86 116.55 109.81 1orf n ASP 129 Ca 0.10 0.53 -0.35 0.00 -1.38 0.00 0.00 54.79 53.69 1orf n ASP 129 Cb 0.51 -1.40 -0.11 0.00 -1.04 0.00 0.00 41.12 39.08 1orf n ASP 129 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1orf s VAL 130 N -2.17 4.54 0.22 5.18 1.01 -1.26 -5.08 120.40 122.84 1orf s VAL 130 Ca 0.68 -0.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.25 1orf s VAL 130 Cb -0.28 -3.06 -0.08 0.00 0.00 0.00 0.00 36.38 32.95 1orf s VAL 130 CO 0.56 0.43 1.12 -1.59 0.00 0.00 0.00 175.10 175.61 1orf s LYS 131 N 0.74 4.59 0.32 2.72 -2.85 -1.26 -4.94 119.74 119.06 1orf s LYS 131 Ca 0.03 1.79 -0.28 0.00 -1.00 0.00 0.00 55.97 56.51 1orf s LYS 131 Cb -0.14 -3.23 -0.13 0.00 -2.06 0.00 0.00 37.83 32.27 1orf s LYS 131 CO 0.02 0.09 1.11 -2.30 0.10 0.00 0.00 175.35 174.37 1orf n PRO 132 N 1.94 1.64 0.00 1.78 -0.02 -1.26 -2.28 135.00 136.80 1orf n PRO 132 Ca 0.02 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1orf n PRO 132 Cb 0.45 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1orf n PRO 132 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1orf n GLY 133 N 1.05 3.28 3.66 -1.23 0.00 -0.30 -4.99 105.19 106.66 1orf n GLY 133 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 1orf n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1orf n THR 134 N -1.39 1.85 -3.21 2.61 -1.04 -0.96 -4.70 114.28 107.43 1orf n THR 134 Ca 0.00 -0.46 -0.39 0.00 -2.04 0.00 0.00 64.05 61.16 1orf n THR 134 Cb 0.00 -1.35 -0.06 0.00 -1.82 0.00 0.00 70.33 67.10 1orf n THR 134 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1orf s MET 135 N -1.56 4.29 0.05 -2.82 -1.94 -1.26 -0.84 119.30 115.21 1orf s MET 135 Ca 0.58 0.78 -0.01 0.00 -1.71 0.00 0.00 55.69 55.33 1orf s MET 135 Cb -0.63 -3.29 -0.04 0.00 2.01 0.00 0.00 34.83 32.88 1orf s MET 135 CO 0.60 0.50 -0.03 0.00 -0.01 0.00 0.00 175.02 176.07 1orf s GLN 137 N -3.64 1.31 -0.02 0.00 1.11 0.12 -0.32 119.66 118.23 1orf s GLN 137 Ca 0.05 -1.04 0.01 0.00 0.01 0.00 0.00 55.36 54.39 1orf s GLN 137 Cb 0.06 -1.50 0.01 0.00 -1.01 0.00 0.00 33.01 30.57 1orf s GLN 137 CO -0.09 0.37 -0.02 0.54 0.01 0.00 0.00 175.29 176.10 1orf s VAL 138 N -0.94 0.29 0.19 1.09 0.11 -0.76 -1.46 120.40 118.93 1orf s VAL 138 Ca 0.08 -0.06 0.08 0.00 -2.93 0.00 0.00 61.98 59.14 1orf s VAL 138 Cb -0.09 -0.31 -0.04 0.00 -1.53 0.00 0.00 36.38 34.41 1orf s VAL 138 CO 0.03 0.13 0.00 0.00 -3.33 0.00 0.00 175.10 171.93 1orf s ALA 139 N 0.47 3.20 0.00 1.54 0.00 -1.26 -2.05 121.76 123.65 1orf s ALA 139 Ca -0.05 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.48 1orf s ALA 139 Cb -0.08 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 22.09 1orf s ALA 139 CO -0.01 0.43 0.00 0.41 0.00 0.00 0.00 175.76 176.59 1orf n GLY 140 N -0.30 0.29 0.59 0.00 0.00 -0.56 -4.81 105.19 100.40 1orf n GLY 140 Ca -0.09 -0.88 0.05 0.00 0.00 0.00 0.00 46.02 45.10 1orf n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1orf n TRP 141 N -0.10 0.37 -1.03 1.61 8.01 -1.26 -1.86 117.44 123.17 1orf n TRP 141 Ca 0.00 -0.41 -0.30 0.00 -1.31 0.00 0.00 57.50 55.48 1orf n TRP 141 Cb 0.00 -0.02 0.25 0.00 -2.01 0.00 0.00 31.31 29.53 1orf n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1orf s GLY 142 N -0.98 1.58 0.07 6.99 0.00 -1.26 0.56 107.32 114.28 1orf s GLY 142 Ca 0.21 -1.02 -0.35 0.00 0.00 0.00 0.00 44.72 43.55 1orf s GLY 142 CO 0.15 -0.09 0.86 0.54 0.00 0.00 0.00 173.10 174.56 1orf n ARG 143 N -4.89 0.00 0.00 2.90 1.74 -0.63 -2.93 116.66 112.85 1orf n ARG 143 Ca 0.14 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.32 1orf n ARG 143 Cb 0.60 -1.31 0.05 0.00 -1.02 0.00 0.00 32.46 30.78 1orf n ARG 143 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1orf n THR 144 N 0.93 0.00 -3.91 0.55 -2.24 -1.26 -0.45 114.28 107.91 1orf n THR 144 Ca 0.19 -0.42 -0.08 0.00 -2.27 0.00 0.00 64.05 61.46 1orf n THR 144 Cb 0.14 1.35 -0.08 0.00 -2.10 0.00 0.00 70.33 69.65 1orf n THR 144 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1orf s HIS 145 N -1.89 0.24 -0.96 4.78 5.65 -1.26 -4.59 115.29 117.26 1orf s HIS 145 Ca 0.21 -0.69 -0.08 0.00 0.25 0.00 0.00 55.06 54.75 1orf s HIS 145 Cb 0.16 -0.13 -0.15 0.00 -1.18 0.00 0.00 32.58 31.28 1orf s HIS 145 CO 0.34 -0.51 3.11 0.09 -0.65 0.00 0.00 174.74 177.12 1orf n ASN 146 N -0.03 7.09 -1.63 9.88 3.02 -1.26 -4.71 115.26 127.62 1orf n ASN 146 Ca -0.15 -2.50 0.00 0.00 -0.03 0.00 0.00 54.58 51.90 1orf n ASN 146 Cb 0.62 -1.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.34 1orf n ASN 146 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1orf n SER 148 N 3.22 -0.34 0.00 6.41 3.41 -1.26 -5.00 113.62 120.06 1orf n SER 148 Ca 0.62 -1.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 1orf n SER 148 Cb 0.47 0.54 0.00 0.00 -0.26 0.00 0.00 64.21 64.96 1orf n SER 148 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1orf n ALA 149 N -2.49 0.00 -3.00 7.33 0.00 -1.26 -4.78 120.51 116.32 1orf n ALA 149 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1orf n ALA 149 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 1orf n ALA 149 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1orf n SER 150 N -3.31 1.15 -4.65 0.00 7.64 -1.26 -4.96 113.62 108.23 1orf n SER 150 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 1orf n SER 150 Cb 0.00 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.38 1orf n SER 150 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 1orf s TRP 151 N 0.17 1.61 0.07 1.43 -2.14 -1.26 -4.19 118.94 114.62 1orf s TRP 151 Ca 0.00 1.71 -0.22 0.00 2.66 0.00 0.00 56.10 60.25 1orf s TRP 151 Cb 0.00 -3.30 -0.06 0.00 -3.10 0.00 0.00 33.47 27.00 1orf s TRP 151 CO 0.00 -2.93 0.67 0.45 -2.66 0.00 0.00 176.95 172.49 1orf s SER 152 N -2.67 7.16 0.36 -2.66 0.15 0.19 -4.88 113.70 111.35 1orf s SER 152 Ca 0.67 1.37 0.15 0.00 0.70 0.00 0.00 55.95 58.85 1orf s SER 152 Cb -0.23 -2.42 0.69 0.00 -1.71 0.00 0.00 66.02 62.35 1orf s SER 152 CO 0.59 0.15 1.77 -0.78 1.20 0.00 0.00 173.24 176.17 1orf h ASP 153 N 5.05 0.00 -3.31 5.45 3.58 -1.94 -3.45 116.42 121.80 1orf h ASP 153 Ca -0.46 0.00 -0.65 0.00 0.42 0.00 0.00 57.03 56.34 1orf h ASP 153 Cb 1.21 0.00 -0.16 0.00 1.72 0.00 0.00 39.33 42.10 1orf h ASP 153 CO 0.67 0.41 -0.75 0.42 -2.88 0.00 0.00 179.24 177.11 1orf s THR 154 N -3.86 3.10 0.11 2.25 -4.23 -1.26 -0.04 115.64 111.70 1orf s THR 154 Ca -0.02 -1.56 -0.31 0.00 -1.18 0.00 0.00 61.69 58.63 1orf s THR 154 Cb 0.13 -2.49 -0.08 0.00 1.34 0.00 0.00 72.50 71.40 1orf s THR 154 CO 0.71 -0.01 1.46 -0.22 -0.54 0.00 0.00 174.62 176.02 1orf s LEU 155 N -2.52 4.36 0.38 4.79 2.96 -0.50 -4.72 118.68 123.43 1orf s LEU 155 Ca 0.22 2.39 0.08 0.00 -0.22 0.00 0.00 54.13 56.60 1orf s LEU 155 Cb -0.10 -3.58 -0.07 0.00 0.50 0.00 0.00 46.19 42.94 1orf s LEU 155 CO 0.13 -0.73 0.01 -0.13 -1.32 0.00 0.00 176.35 174.32 1orf s ARG 156 N 1.42 2.00 -0.05 1.98 0.52 -0.78 -1.98 118.95 122.07 1orf s ARG 156 Ca 0.67 -1.94 -0.09 0.00 -0.52 0.00 0.00 55.73 53.84 1orf s ARG 156 Cb -0.38 -1.78 0.02 0.00 0.52 0.00 0.00 34.95 33.33 1orf s ARG 156 CO 0.30 0.03 0.22 -2.00 0.02 0.00 0.00 175.30 173.86 1orf s GLU 157 N -3.72 0.41 0.06 3.54 2.12 -0.11 -1.50 118.70 119.51 1orf s GLU 157 Ca 0.35 -0.00 0.05 0.00 0.36 0.00 0.00 54.97 55.73 1orf s GLU 157 Cb 0.05 0.18 -0.03 0.00 0.26 0.00 0.00 34.13 34.60 1orf s GLU 157 CO 0.19 -0.09 -0.13 0.54 -0.54 0.00 0.00 175.26 175.23 1orf s VAL 158 N -0.62 1.04 -0.14 3.70 0.11 -0.87 -1.41 120.40 122.20 1orf s VAL 158 Ca -0.07 -1.23 -0.07 0.00 -2.93 0.00 0.00 61.98 57.68 1orf s VAL 158 Cb -0.04 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 1orf s VAL 158 CO 0.01 -0.21 0.11 -0.70 -3.33 0.00 0.00 175.10 170.98 1orf s GLU 159 N -1.62 3.61 0.12 1.54 2.12 -1.26 -1.83 118.70 121.37 1orf s GLU 159 Ca -0.02 -0.22 0.01 0.00 0.36 0.00 0.00 54.97 55.10 1orf s GLU 159 Cb -0.10 -3.19 -0.04 0.00 0.26 0.00 0.00 34.13 31.06 1orf s GLU 159 CO 0.02 0.60 -0.03 0.96 -0.54 0.00 0.00 175.26 176.26 1orf s ILE 160 N -0.52 0.59 -0.08 -3.70 -4.36 0.57 -4.93 121.20 108.77 1orf s ILE 160 Ca 0.12 -1.93 0.01 0.00 -0.26 0.00 0.00 60.65 58.58 1orf s ILE 160 Cb -0.12 -1.83 -0.03 0.00 1.25 0.00 0.00 42.46 41.74 1orf s ILE 160 CO 0.02 -0.73 -0.09 -0.89 0.24 0.00 0.00 174.94 173.48 1orf s THR 161 N -3.70 3.48 0.11 8.37 2.01 0.18 -0.15 115.64 125.94 1orf s THR 161 Ca 0.16 -0.55 -0.31 0.00 0.31 0.00 0.00 61.69 61.30 1orf s THR 161 Cb 0.06 -2.42 -0.07 0.00 0.01 0.00 0.00 72.50 70.07 1orf s THR 161 CO -0.02 0.58 1.32 0.27 -0.69 0.00 0.00 174.62 176.07 1orf s ILE 162 N -0.52 3.50 -0.14 1.82 -5.25 -0.02 -1.06 121.20 119.53 1orf s ILE 162 Ca 0.07 1.10 -0.15 0.00 -0.99 0.00 0.00 60.65 60.69 1orf s ILE 162 Cb -0.12 -3.70 -0.05 0.00 2.95 0.00 0.00 42.46 41.54 1orf s ILE 162 CO 0.02 0.10 0.35 -0.63 -1.79 0.00 0.00 174.94 172.98 1orf s ILE 163 N 0.91 5.26 -0.07 8.37 -1.09 0.55 -1.14 121.20 133.98 1orf s ILE 163 Ca 0.61 0.67 -0.39 0.00 -2.23 0.00 0.00 60.65 59.32 1orf s ILE 163 Cb -0.35 -3.68 -0.17 0.00 -1.58 0.00 0.00 42.46 36.68 1orf s ILE 163 CO 0.31 0.39 1.46 -0.67 -1.23 0.00 0.00 174.94 175.21 1orf n ASP 164 N 3.43 1.74 -0.32 3.58 2.03 -1.26 -4.28 116.55 121.47 1orf n ASP 164 Ca -0.11 1.11 0.17 0.00 0.52 0.00 0.00 54.79 56.48 1orf n ASP 164 Cb 0.52 -1.14 0.36 0.00 -0.72 0.00 0.00 41.12 40.14 1orf n ASP 164 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1orf h ARG 165 N 5.33 0.39 -0.12 -0.67 2.43 -1.95 -0.09 114.38 119.70 1orf h ARG 165 Ca -0.47 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 58.57 1orf h ARG 165 Cb 1.34 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 1orf h ARG 165 CO 0.84 0.26 -0.37 0.87 -1.51 0.00 0.00 179.97 180.06 1orf h LYS 166 N 0.40 0.25 -0.34 0.20 1.57 -1.92 -2.21 116.57 114.52 1orf h LYS 166 Ca 0.62 -0.11 -0.14 0.00 -1.87 0.00 0.00 60.65 59.16 1orf h LYS 166 Cb 1.25 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 1orf h LYS 166 CO -0.55 0.59 -0.32 0.28 -0.57 0.00 0.00 179.45 178.88 1orf h VAL 167 N 0.22 1.29 -0.12 0.50 2.07 -1.55 -2.99 116.25 115.66 1orf h VAL 167 Ca 0.02 -1.49 0.03 0.00 0.82 0.00 0.00 66.70 66.08 1orf h VAL 167 Cb 0.75 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1orf h VAL 167 CO 0.06 0.49 0.08 0.00 0.02 0.00 0.00 177.57 178.22 1orf n ASN 169 N -4.51 0.80 -3.45 0.00 3.02 -0.87 -1.70 115.26 108.55 1orf n ASN 169 Ca -0.00 -0.62 -0.31 0.00 -0.03 0.00 0.00 54.58 53.62 1orf n ASN 169 Cb 0.17 0.20 0.03 0.00 -0.61 0.00 0.00 39.78 39.57 1orf n ASN 169 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1orf n ASP 170 N -1.03 -5.08 0.18 6.41 8.00 -0.52 -2.79 116.55 121.73 1orf n ASP 170 Ca 0.09 0.18 0.03 0.00 0.71 0.00 0.00 54.79 55.80 1orf n ASP 170 Cb 0.34 -0.66 0.38 0.00 -0.02 0.00 0.00 41.12 41.17 1orf n ASP 170 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 1orf h ARG 170 N -0.81 0.04 -0.24 -1.24 0.11 -1.93 0.79 114.38 111.12 1orf h ARG 170 Ca -0.38 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.69 1orf h ARG 170 Cb 1.13 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.20 1orf h ARG 170 CO 0.21 0.35 0.00 0.09 0.10 0.00 0.00 179.97 180.72 1orf n ASN 170 N -4.16 1.51 0.00 0.08 3.02 -1.26 -4.78 115.26 109.67 1orf n ASN 170 Ca -0.02 -1.87 0.00 0.00 -0.03 0.00 0.00 54.58 52.66 1orf n ASN 170 Cb 0.36 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 1orf n ASN 170 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1orf n HIS 171 N 0.28 0.00 0.15 3.10 8.25 -0.92 -4.45 115.22 121.63 1orf n HIS 171 Ca 0.12 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.61 1orf n HIS 171 Cb 0.26 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.52 1orf n HIS 171 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 1orf h TYR 172 N 0.00 0.00 -6.28 4.41 0.05 -1.38 -3.45 116.97 110.32 1orf h TYR 172 Ca 0.00 0.00 -0.46 0.00 0.05 0.00 0.00 58.73 58.32 1orf h TYR 172 Cb 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 1orf h TYR 172 CO 0.00 0.52 -0.84 -1.71 -1.05 0.00 0.00 178.16 175.08 1orf n ASN 173 N -3.39 -1.28 -1.82 3.88 4.05 0.23 -1.16 115.26 115.77 1orf n ASN 173 Ca 0.01 -0.89 -0.19 0.00 0.45 0.00 0.00 54.58 53.95 1orf n ASN 173 Cb 0.66 -3.63 -0.06 0.00 1.23 0.00 0.00 39.78 37.98 1orf n ASN 173 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 1orf n PHE 174 N -4.36 -0.39 -3.52 1.20 0.99 -1.24 -4.92 117.46 105.22 1orf n PHE 174 Ca -0.26 0.00 -0.28 0.00 -0.00 0.00 0.00 57.45 56.92 1orf n PHE 174 Cb 0.66 -3.43 -0.11 0.00 -1.00 0.00 0.00 39.48 35.60 1orf n PHE 174 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 1orf s ASN 175 N -2.45 2.43 0.81 4.37 2.47 -0.31 -3.86 114.94 118.40 1orf s ASN 175 Ca 0.00 -3.01 -0.05 0.00 0.42 0.00 0.00 52.86 50.22 1orf s ASN 175 Cb 0.00 -0.68 0.16 0.00 -1.45 0.00 0.00 41.25 39.28 1orf s ASN 175 CO 0.00 -0.19 1.11 -2.16 -3.72 0.00 0.00 177.10 172.14 1orf s PRO 175 N 0.01 1.26 0.26 0.43 0.04 -1.26 -4.85 135.00 130.90 1orf s PRO 175 Ca 0.28 -0.98 -0.30 0.00 0.04 0.00 0.00 61.00 60.04 1orf s PRO 175 Cb -0.05 -2.18 -0.10 0.00 0.04 0.00 0.00 34.50 32.21 1orf s PRO 175 CO -0.14 -1.81 1.35 0.08 0.04 0.00 0.00 177.00 176.52 1orf s VAL 175 N -3.39 2.83 -0.47 -0.36 1.01 -1.25 -4.65 120.40 114.12 1orf s VAL 175 Ca 0.70 0.74 -0.13 0.00 0.00 0.00 0.00 61.98 63.29 1orf s VAL 175 Cb -0.04 -3.47 0.10 0.00 0.00 0.00 0.00 36.38 32.96 1orf s VAL 175 CO 0.47 0.14 0.37 -0.63 0.00 0.00 0.00 175.10 175.45 1orf s ILE 176 N -0.39 4.76 0.07 2.22 -1.09 -1.26 -5.02 121.20 120.50 1orf s ILE 176 Ca 0.55 -1.38 0.00 0.00 -2.23 0.00 0.00 60.65 57.58 1orf s ILE 176 Cb -0.40 -3.96 0.01 0.00 -1.58 0.00 0.00 42.46 36.54 1orf s ILE 176 CO 0.45 -0.66 0.10 0.61 -1.23 0.00 0.00 174.94 174.21 1orf n GLY 177 N 5.08 0.96 0.14 6.18 0.00 -1.26 -4.89 105.19 111.40 1orf n GLY 177 Ca -0.11 -1.99 0.12 0.00 0.00 0.00 0.00 46.02 44.03 1orf n GLY 177 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1orf n MET 178 N -1.18 0.20 -0.93 1.61 2.81 -1.26 -2.45 117.12 115.92 1orf n MET 178 Ca 0.02 0.44 -0.09 0.00 -1.81 0.00 0.00 57.70 56.26 1orf n MET 178 Cb 0.06 -1.89 0.22 0.00 -0.71 0.00 0.00 33.22 30.90 1orf n MET 178 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1orf n ASN 179 N -2.28 3.46 -3.99 7.83 3.02 -1.26 -4.89 115.26 117.16 1orf n ASN 179 Ca 0.02 -3.53 -0.12 0.00 -0.03 0.00 0.00 54.58 50.92 1orf n ASN 179 Cb 0.22 -0.71 -0.12 0.00 -0.61 0.00 0.00 39.78 38.57 1orf n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1orf s MET 180 N -3.17 0.35 0.20 3.52 -1.94 -1.03 -1.34 119.30 115.90 1orf s MET 180 Ca 0.50 -0.50 0.11 0.00 -1.71 0.00 0.00 55.69 54.09 1orf s MET 180 Cb 0.43 -0.12 -0.04 0.00 2.01 0.00 0.00 34.83 37.11 1orf s MET 180 CO 0.07 0.01 -0.18 0.14 -0.01 0.00 0.00 175.02 175.05 1orf s VAL 181 N -1.00 2.70 -0.06 -6.03 -7.23 0.02 -4.70 120.40 104.10 1orf s VAL 181 Ca -0.09 -1.93 -0.00 0.00 -1.81 0.00 0.00 61.98 58.15 1orf s VAL 181 Cb -0.07 -2.33 -0.03 0.00 0.56 0.00 0.00 36.38 34.51 1orf s VAL 181 CO -0.00 -0.15 -0.01 0.00 -0.31 0.00 0.00 175.10 174.63 1orf s ALA 183 N -0.94 -0.90 0.00 0.00 0.00 -0.69 -0.33 121.76 118.90 1orf s ALA 183 Ca 0.15 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1orf s ALA 183 Cb -0.11 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.37 1orf s ALA 183 CO 0.05 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.03 1orf n GLY 184 N 3.12 -0.51 3.20 0.00 0.00 -0.23 -2.03 105.19 108.75 1orf n GLY 184 Ca -0.15 0.36 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 1orf n GLY 184 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1orf s SER 184 N -4.00 -0.02 0.33 1.61 1.04 -1.26 -0.65 113.70 110.76 1orf s SER 184 Ca 0.00 -0.29 0.04 0.00 0.48 0.00 0.00 55.95 56.18 1orf s SER 184 Cb 0.00 0.30 0.59 0.00 0.10 0.00 0.00 66.02 67.01 1orf s SER 184 CO 0.00 -0.56 1.88 0.17 0.98 0.00 0.00 173.24 175.72 1orf h LEU 185 N 3.47 0.53 0.00 2.42 -0.00 -1.95 -2.74 115.31 117.04 1orf h LEU 185 Ca -0.32 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.47 1orf h LEU 185 Cb 1.19 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.71 1orf h LEU 185 CO 0.47 0.57 -0.42 -1.14 -0.00 0.00 0.00 178.44 177.92 1orf n ARG 186 N -4.29 0.11 0.00 0.17 0.63 -1.26 -4.82 116.66 107.19 1orf n ARG 186 Ca 0.02 0.04 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 1orf n ARG 186 Cb 0.23 -1.58 0.00 0.00 0.45 0.00 0.00 32.46 31.56 1orf n ARG 186 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1orf n GLY 187 N 1.44 -2.12 1.46 5.14 0.00 -1.03 -4.73 105.19 105.34 1orf n GLY 187 Ca 0.05 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1orf n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1orf n GLY 188 N -0.11 1.34 2.67 -0.02 0.00 -0.10 -4.79 105.19 104.20 1orf n GLY 188 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1orf n GLY 188 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1orf s ARG 188 N -0.51 -0.01 -0.08 1.61 0.52 -1.26 -3.44 118.95 115.78 1orf s ARG 188 Ca 0.00 0.32 -0.32 0.00 -0.52 0.00 0.00 55.73 55.22 1orf s ARG 188 Cb 0.00 -0.65 0.12 0.00 0.52 0.00 0.00 34.95 34.94 1orf s ARG 188 CO 0.00 -0.35 1.12 0.34 0.02 0.00 0.00 175.30 176.42 1orf s ASP 189 N 2.15 -0.19 0.97 0.23 2.15 -0.91 -4.34 116.67 116.73 1orf s ASP 189 Ca 0.05 -0.06 -0.16 0.00 0.43 0.00 0.00 52.55 52.80 1orf s ASP 189 Cb -0.12 0.24 0.21 0.00 -0.30 0.00 0.00 42.92 42.94 1orf s ASP 189 CO -0.04 -0.41 1.33 -0.94 -0.17 0.00 0.00 175.17 174.94 1orf s SER 190 N -2.47 3.06 0.00 -0.34 1.04 -1.26 -0.30 113.70 113.43 1orf s SER 190 Ca 0.09 0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.76 1orf s SER 190 Cb -0.00 -0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.86 1orf s SER 190 CO -0.05 -2.77 0.00 0.00 0.98 0.00 0.00 173.24 171.40 1orf n ASN 192 N -1.06 3.01 0.00 0.00 4.13 -1.26 -1.56 115.26 118.52 1orf n ASN 192 Ca 0.00 1.09 0.00 0.00 1.68 0.00 0.00 54.58 57.35 1orf n ASN 192 Cb 0.00 -1.41 0.00 0.00 -1.54 0.00 0.00 39.78 36.83 1orf n ASN 192 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1orf n GLY 193 N 3.36 1.38 0.04 7.41 0.00 -1.26 -1.60 105.19 114.51 1orf n GLY 193 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 1orf n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1orf n ASP 194 N 0.00 0.42 -4.60 1.61 8.00 -0.60 -3.65 116.55 117.74 1orf n ASP 194 Ca 0.00 -0.17 -0.48 0.00 0.71 0.00 0.00 54.79 54.86 1orf n ASP 194 Cb 0.00 0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.08 1orf n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1orf n SER 195 N -1.35 1.60 0.00 -2.24 7.64 -1.26 -1.43 113.62 116.58 1orf n SER 195 Ca 0.08 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.10 1orf n SER 195 Cb 0.33 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 1orf n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1orf n GLY 196 N 1.96 3.39 3.75 0.23 0.00 -0.44 -0.45 105.19 113.63 1orf n GLY 196 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1orf n GLY 196 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1orf s SER 197 N -0.91 6.68 0.22 1.61 0.15 -0.52 -3.65 113.70 117.29 1orf s SER 197 Ca 0.00 2.66 -0.30 0.00 0.70 0.00 0.00 55.95 59.01 1orf s SER 197 Cb 0.00 -2.63 -0.10 0.00 -1.71 0.00 0.00 66.02 61.58 1orf s SER 197 CO 0.00 -0.66 1.46 -2.16 1.20 0.00 0.00 173.24 173.08 1orf s PRO 198 N -0.69 4.26 -0.29 5.44 0.04 -1.26 -1.50 135.00 141.00 1orf s PRO 198 Ca 0.57 2.29 -0.21 0.00 0.04 0.00 0.00 61.00 63.68 1orf s PRO 198 Cb -0.41 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 30.99 1orf s PRO 198 CO 0.45 -0.46 0.69 -1.17 0.04 0.00 0.00 177.00 176.55 1orf s LEU 199 N 0.10 4.11 -0.17 -3.56 2.96 0.15 -4.44 118.68 117.83 1orf s LEU 199 Ca 0.62 0.59 -0.07 0.00 -0.22 0.00 0.00 54.13 55.05 1orf s LEU 199 Cb -0.42 -2.92 -0.04 0.00 0.50 0.00 0.00 46.19 43.32 1orf s LEU 199 CO 0.39 -0.50 0.05 -0.76 -1.32 0.00 0.00 176.35 174.21 1orf s LEU 200 N 2.70 3.74 -0.09 -0.68 2.01 -0.53 -0.44 118.68 125.39 1orf s LEU 200 Ca 0.28 0.07 -0.01 0.00 0.01 0.00 0.00 54.13 54.48 1orf s LEU 200 Cb -0.15 -1.93 0.03 0.00 0.01 0.00 0.00 46.19 44.15 1orf s LEU 200 CO 0.11 0.19 -0.02 0.00 1.01 0.00 0.00 176.35 177.65 1orf n GLU 202 N 5.08 -1.78 -0.37 0.00 1.02 -1.25 -1.03 120.64 122.32 1orf n GLU 202 Ca -0.09 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1orf n GLU 202 Cb 0.50 -3.91 0.00 0.00 -0.02 0.00 0.00 31.44 28.01 1orf n GLU 202 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1orf n GLY 207 N -2.36 1.52 3.31 0.62 0.00 -1.26 -5.02 105.19 101.99 1orf n GLY 207 Ca -0.32 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 1orf n GLY 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1orf s VAL 208 N -3.11 2.62 -0.05 1.61 1.01 -0.19 -5.09 120.40 117.20 1orf s VAL 208 Ca 0.00 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 60.86 1orf s VAL 208 Cb 0.00 -2.06 -0.07 0.00 0.00 0.00 0.00 36.38 34.26 1orf s VAL 208 CO 0.00 0.54 1.89 0.12 0.00 0.00 0.00 175.10 177.66 1orf s PHE 209 N 0.26 1.52 0.00 5.22 5.99 -1.26 -1.45 117.98 128.26 1orf s PHE 209 Ca -0.13 -0.05 0.00 0.00 0.00 0.00 0.00 56.93 56.76 1orf s PHE 209 Cb -0.16 -4.09 0.00 0.00 0.00 0.00 0.00 43.02 38.76 1orf s PHE 209 CO 0.07 -4.65 0.00 -2.13 -0.00 0.00 0.00 175.22 168.50 1orf n ARG 210 N 7.65 2.81 -3.92 10.12 3.00 0.42 -4.13 116.66 132.60 1orf n ARG 210 Ca 0.21 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.96 1orf n ARG 210 Cb 0.43 -0.88 -0.01 0.00 0.00 0.00 0.00 32.46 31.99 1orf n ARG 210 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1orf s GLY 211 N -2.38 0.55 -0.10 5.14 0.00 -1.14 -1.66 107.32 107.74 1orf s GLY 211 Ca 0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 44.72 43.86 1orf s GLY 211 CO 0.00 -0.48 -0.08 0.14 0.00 0.00 0.00 173.10 172.68 1orf s VAL 212 N -3.15 1.01 -0.07 1.40 1.01 -0.35 -0.67 120.40 119.57 1orf s VAL 212 Ca 0.19 -0.30 -0.36 0.00 0.00 0.00 0.00 61.98 61.52 1orf s VAL 212 Cb -0.03 -1.01 -0.13 0.00 0.00 0.00 0.00 36.38 35.20 1orf s VAL 212 CO 0.12 0.36 1.75 0.41 0.00 0.00 0.00 175.10 177.74 1orf n THR 213 N 4.77 0.37 0.01 3.92 -1.04 -0.56 -0.56 114.28 121.18 1orf n THR 213 Ca -0.14 -0.07 -0.01 0.00 -2.04 0.00 0.00 64.05 61.80 1orf n THR 213 Cb 0.50 -1.58 -0.00 0.00 -1.82 0.00 0.00 70.33 67.44 1orf n THR 213 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1orf n SER 214 N 5.43 0.49 -3.93 8.00 2.88 -0.43 -1.33 113.62 124.72 1orf n SER 214 Ca 0.22 0.07 -0.09 0.00 -1.33 0.00 0.00 58.87 57.74 1orf n SER 214 Cb 0.25 -0.21 -0.04 0.00 -0.75 0.00 0.00 64.21 63.46 1orf n SER 214 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1orf s PHE 215 N -1.45 0.18 0.00 0.66 -0.12 -1.08 -4.85 117.98 111.33 1orf s PHE 215 Ca -0.02 -0.56 0.00 0.00 -0.05 0.00 0.00 56.93 56.30 1orf s PHE 215 Cb 0.00 0.32 0.00 0.00 -0.63 0.00 0.00 43.02 42.71 1orf s PHE 215 CO 0.03 -1.03 0.00 0.41 -0.05 0.00 0.00 175.22 174.58 1orf n GLY 216 N -0.39 3.93 3.77 1.99 0.00 -1.26 -0.35 105.19 112.89 1orf n GLY 216 Ca -0.03 -0.82 -0.37 0.00 0.00 0.00 0.00 46.02 44.80 1orf n GLY 216 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1orf s LEU 217 N 0.00 4.34 0.05 0.99 1.43 -1.26 -5.03 118.68 119.21 1orf s LEU 217 Ca 0.00 0.75 -0.34 0.00 -1.03 0.00 0.00 54.13 53.51 1orf s LEU 217 Cb 0.00 -2.52 -0.13 0.00 0.03 0.00 0.00 46.19 43.57 1orf s LEU 217 CO 0.00 0.16 1.71 1.21 0.23 0.00 0.00 176.35 179.66 1orf n GLU 218 N 2.92 2.17 -1.81 1.70 2.13 -1.26 -1.37 120.64 125.13 1orf n GLU 218 Ca -0.12 0.79 -0.18 0.00 0.66 0.00 0.00 57.16 58.32 1orf n GLU 218 Cb 0.52 -2.59 -0.05 0.00 0.27 0.00 0.00 31.44 29.58 1orf n GLU 218 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1orf n ASN 219 N 4.83 -4.84 -2.26 4.31 3.02 -1.26 -4.83 115.26 114.23 1orf n ASN 219 Ca 0.19 0.32 -0.02 0.00 -0.03 0.00 0.00 54.58 55.04 1orf n ASN 219 Cb 0.29 -4.25 0.05 0.00 -0.61 0.00 0.00 39.78 35.26 1orf n ASN 219 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1orf n LYS 219 N -2.42 1.51 -1.68 3.52 5.02 -0.47 -4.91 118.16 118.72 1orf n LYS 219 Ca -0.19 -3.19 -0.45 0.00 -2.02 0.00 0.00 58.31 52.46 1orf n LYS 219 Cb 0.61 -1.28 -0.04 0.00 -0.02 0.00 0.00 35.03 34.30 1orf n LYS 219 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1orf n GLY 221 N 3.44 1.46 3.70 0.00 0.00 -1.26 -4.85 105.19 107.68 1orf n GLY 221 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1orf n GLY 221 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1orf s ASP 221 N -3.21 6.90 0.54 1.61 3.68 -0.64 -0.92 116.67 124.63 1orf s ASP 221 Ca 0.00 2.14 0.31 0.00 2.13 0.00 0.00 52.55 57.13 1orf s ASP 221 Cb 0.00 -2.57 1.47 0.00 -1.45 0.00 0.00 42.92 40.37 1orf s ASP 221 CO 0.00 -0.64 1.89 -0.65 0.13 0.00 0.00 175.17 175.91 1orf h PRO 222 N 7.26 0.00 -0.03 4.34 0.11 -1.86 -0.56 132.00 141.26 1orf h PRO 222 Ca -0.40 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.69 1orf h PRO 222 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1orf h PRO 222 CO 0.87 0.00 -0.10 -0.09 -0.21 0.00 0.00 178.00 178.46 1orf h ARG 223 N 0.00 0.04 -2.16 1.05 2.43 -1.92 -3.36 114.38 110.46 1orf h ARG 223 Ca 0.39 -0.01 -0.58 0.00 -0.81 0.00 0.00 59.98 58.97 1orf h ARG 223 Cb 1.60 -0.01 -0.41 0.00 -0.42 0.00 0.00 29.97 30.74 1orf h ARG 223 CO -0.00 0.15 -0.82 0.41 -1.51 0.00 0.00 179.97 178.19 1orf n GLY 224 N -1.18 3.86 3.76 2.80 0.00 -0.22 -3.94 105.19 110.26 1orf n GLY 224 Ca -0.02 -2.21 -0.39 0.00 0.00 0.00 0.00 46.02 43.40 1orf n GLY 224 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1orf s PRO 225 N -1.79 3.46 0.52 1.61 0.04 -1.25 -4.39 135.00 133.20 1orf s PRO 225 Ca 0.37 2.29 -0.23 0.00 0.04 0.00 0.00 61.00 63.47 1orf s PRO 225 Cb 0.14 -2.47 -0.06 0.00 0.04 0.00 0.00 34.50 32.15 1orf s PRO 225 CO -0.07 -0.95 1.38 0.20 0.04 0.00 0.00 177.00 177.60 1orf s GLY 226 N -0.76 2.90 -0.15 0.56 0.00 -0.86 -4.69 107.32 104.32 1orf s GLY 226 Ca 0.66 1.38 -0.03 0.00 0.00 0.00 0.00 44.72 46.72 1orf s GLY 226 CO 0.51 1.93 -0.05 0.14 0.00 0.00 0.00 173.10 175.63 1orf s VAL 227 N -1.27 3.83 -0.04 1.40 1.01 0.53 -1.70 120.40 124.15 1orf s VAL 227 Ca 0.69 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 62.35 1orf s VAL 227 Cb -0.42 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 1orf s VAL 227 CO 0.50 0.50 -0.24 -0.31 0.00 0.00 0.00 175.10 175.55 1orf s TYR 228 N 0.29 2.42 -0.01 5.22 1.51 0.02 -1.32 117.35 125.48 1orf s TYR 228 Ca -0.04 -0.56 -0.30 0.00 -1.01 0.00 0.00 57.07 55.16 1orf s TYR 228 Cb -0.14 -1.57 -0.05 0.00 -0.11 0.00 0.00 41.96 40.09 1orf s TYR 228 CO 0.03 -0.11 1.32 0.42 -1.11 0.00 0.00 175.55 176.10 1orf s ILE 229 N -0.38 3.90 0.14 2.71 -1.09 0.28 -0.80 121.20 125.96 1orf s ILE 229 Ca 0.03 1.28 -0.30 0.00 -2.23 0.00 0.00 60.65 59.42 1orf s ILE 229 Cb -0.12 -3.82 -0.07 0.00 -1.58 0.00 0.00 42.46 36.87 1orf s ILE 229 CO 0.02 0.01 1.17 -0.22 -1.23 0.00 0.00 174.94 174.68 1orf s LEU 230 N 2.21 4.43 -1.27 2.97 0.20 -0.45 -1.21 118.68 125.57 1orf s LEU 230 Ca 0.61 2.11 -0.19 0.00 0.69 0.00 0.00 54.13 57.34 1orf s LEU 230 Cb -0.29 -3.60 0.03 0.00 -0.43 0.00 0.00 46.19 41.90 1orf s LEU 230 CO 0.25 -0.36 1.79 -0.76 -0.29 0.00 0.00 176.35 176.98 1orf s LEU 231 N 0.19 3.62 0.00 -0.68 1.43 -0.67 -4.83 118.68 117.74 1orf s LEU 231 Ca 0.54 -2.23 0.00 0.00 -1.03 0.00 0.00 54.13 51.41 1orf s LEU 231 Cb -0.30 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.33 1orf s LEU 231 CO 0.33 -1.70 0.00 -1.54 0.23 0.00 0.00 176.35 173.67 1orf n SER 232 N 10.05 0.00 0.00 2.29 3.41 -1.26 -4.37 113.62 123.74 1orf n SER 232 Ca 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 1orf n SER 232 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 1orf n SER 232 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1orf n LYS 233 N 0.00 0.00 0.04 4.33 4.81 -1.26 -0.63 118.16 125.45 1orf n LYS 233 Ca 0.00 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.24 1orf n LYS 233 Cb 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 1orf n LYS 233 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1orf h HIS 234 N 0.00 1.05 0.03 5.64 3.86 -1.93 -2.84 115.15 120.96 1orf h HIS 234 Ca 0.00 -0.57 0.01 0.00 -1.16 0.00 0.00 60.37 58.65 1orf h HIS 234 Cb 0.00 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 1orf h HIS 234 CO 0.00 1.41 -0.09 -0.07 0.86 0.00 0.00 177.93 180.04 1orf h LEU 235 N 0.40 -0.26 -0.66 2.43 3.38 -1.19 -0.98 115.31 118.42 1orf h LEU 235 Ca -0.13 0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.01 1orf h LEU 235 Cb 1.70 0.11 -0.12 0.00 0.09 0.00 0.00 40.66 42.44 1orf h LEU 235 CO 0.21 -0.14 -0.05 0.78 0.09 0.00 0.00 178.44 179.33 1orf h ASN 236 N -0.17 -0.39 -0.24 -0.43 2.35 -1.79 0.11 115.58 115.02 1orf h ASN 236 Ca 0.03 0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.88 1orf h ASN 236 Cb 0.20 0.33 -0.02 0.00 0.05 0.00 0.00 38.32 38.88 1orf h ASN 236 CO -0.08 -0.16 -0.08 -0.25 -1.65 0.00 0.00 177.43 175.21 1orf h TRP 237 N 0.08 0.65 0.17 1.19 7.01 -1.23 -1.01 115.95 122.80 1orf h TRP 237 Ca 0.34 -0.10 -0.01 0.00 2.11 0.00 0.00 58.89 61.24 1orf h TRP 237 Cb 0.56 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 27.44 1orf h TRP 237 CO -0.43 0.67 -0.08 0.82 -2.79 0.00 0.00 178.44 176.64 1orf h ILE 238 N 0.57 0.96 -0.33 2.65 2.04 0.22 -1.89 117.51 121.73 1orf h ILE 238 Ca 0.11 -0.69 0.03 0.00 1.00 0.00 0.00 64.86 65.31 1orf h ILE 238 Cb 0.48 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 1orf h ILE 238 CO 0.03 0.16 0.14 0.40 0.00 0.00 0.00 178.15 178.87 1orf h ILE 239 N -0.57 0.94 -0.32 -0.67 2.04 -0.76 -2.12 117.51 116.05 1orf h ILE 239 Ca -0.02 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 65.75 1orf h ILE 239 Cb 0.43 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 1orf h ILE 239 CO 0.04 0.05 0.18 -0.03 0.00 0.00 0.00 178.15 178.39 1orf h MET 240 N 0.29 0.36 -0.60 2.37 4.05 -1.20 -1.76 114.93 118.44 1orf h MET 240 Ca 0.14 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.48 1orf h MET 240 Cb 0.09 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 1orf h MET 240 CO -0.13 0.24 0.15 1.15 0.23 0.00 0.00 176.91 178.56 1orf h THR 241 N 0.37 1.25 0.00 -0.77 2.02 -1.09 -3.32 112.91 111.38 1orf h THR 241 Ca 0.13 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.41 1orf h THR 241 Cb 0.01 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1orf h THR 241 CO -0.06 0.34 0.00 -0.38 0.37 0.00 0.00 175.52 175.78 1orf n ILE 242 N -4.36 0.00 -2.28 3.11 5.41 -0.82 -4.52 119.36 115.89 1orf n ILE 242 Ca 0.03 0.91 -0.33 0.00 1.00 0.00 0.00 62.75 64.35 1orf n ILE 242 Cb 0.24 -1.74 -0.04 0.00 -0.71 0.00 0.00 39.64 37.39 1orf n ILE 242 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1orf s LYS 243 N -1.27 3.05 0.00 0.38 1.02 -0.67 -5.11 119.74 117.13 1orf s LYS 243 Ca 0.00 -0.87 0.00 0.00 0.02 0.00 0.00 55.97 55.12 1orf s LYS 243 Cb 0.00 -5.24 0.00 0.00 -0.52 0.00 0.00 37.83 32.07 1orf s LYS 243 CO 0.00 -2.94 0.00 0.41 -0.92 0.00 0.00 175.35 171.90