#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n2l s LYS 3 N 0.00 3.17 0.29 3.17 1.02 -1.26 -4.89 119.74 121.24 3n2l s LYS 3 Ca 0.00 0.38 0.04 0.00 0.02 0.00 0.00 55.97 56.41 3n2l s LYS 3 Cb 0.00 -2.15 0.73 0.00 -0.52 0.00 0.00 37.83 35.89 3n2l s LYS 3 CO 0.00 -0.70 1.70 0.00 -0.92 0.00 0.00 175.35 175.43 3n2l h ALA 4 N -0.31 1.46 0.00 5.17 0.00 -2.04 -0.69 119.26 122.84 3n2l h ALA 4 Ca -0.45 0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 3n2l h ALA 4 Cb 1.23 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3n2l h ALA 4 CO 0.62 -0.32 -0.43 0.10 0.00 0.00 0.00 179.25 179.22 3n2l h TYR 5 N 0.43 0.00 -0.11 0.00 -0.00 -1.99 -1.82 116.97 113.50 3n2l h TYR 5 Ca 0.56 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 59.23 3n2l h TYR 5 Cb 1.05 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.78 3n2l h TYR 5 CO -0.12 0.43 -0.19 1.96 -0.00 0.00 0.00 178.16 180.25 3n2l h GLN 6 N 0.00 0.32 -0.35 0.10 4.20 -1.45 -1.16 115.11 116.77 3n2l h GLN 6 Ca -0.00 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.50 3n2l h GLN 6 Cb 0.98 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.76 3n2l h GLN 6 CO 0.06 0.78 0.17 -0.09 -0.67 0.00 0.00 178.83 179.07 3n2l h ARG 7 N -0.12 0.51 -0.68 1.46 2.43 -1.42 -1.97 114.38 114.60 3n2l h ARG 7 Ca 0.01 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 3n2l h ARG 7 Cb 0.76 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.19 3n2l h ARG 7 CO 0.04 0.47 0.34 0.93 -1.51 0.00 0.00 179.97 180.24 3n2l h GLU 8 N 0.43 0.95 -0.61 0.20 5.08 -1.36 -0.95 114.58 118.32 3n2l h GLU 8 Ca 0.12 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 3n2l h GLU 8 Cb 0.13 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3n2l h GLU 8 CO -0.01 0.72 0.01 0.35 -1.00 0.00 0.00 179.01 179.08 3n2l h PHE 9 N 0.95 1.16 -0.39 4.33 3.57 -0.78 0.21 116.94 126.00 3n2l h PHE 9 Ca 0.24 -0.20 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 3n2l h PHE 9 Cb 0.07 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 3n2l h PHE 9 CO 0.01 1.02 -0.04 0.82 -2.23 0.00 0.00 178.31 177.89 3n2l h ILE 10 N 0.98 1.23 -0.24 1.41 2.04 -0.97 -1.24 117.51 120.72 3n2l h ILE 10 Ca 0.17 -0.95 -0.09 0.00 1.00 0.00 0.00 64.86 64.99 3n2l h ILE 10 Cb 0.55 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 3n2l h ILE 10 CO 0.03 0.32 -0.21 -0.33 0.00 0.00 0.00 178.15 177.97 3n2l h GLU 11 N 0.59 0.57 -0.19 2.37 5.08 -0.50 -2.30 114.58 120.20 3n2l h GLU 11 Ca 0.12 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 3n2l h GLU 11 Cb 0.43 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3n2l h GLU 11 CO 0.02 0.87 0.09 0.35 -1.00 0.00 0.00 179.01 179.34 3n2l h PHE 12 N 0.28 0.16 -0.66 4.33 3.57 -0.46 -0.26 116.94 123.90 3n2l h PHE 12 Ca 0.04 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.58 3n2l h PHE 12 Cb 0.75 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.41 3n2l h PHE 12 CO 0.07 0.09 0.42 0.00 -2.23 0.00 0.00 178.31 176.66 3n2l h ALA 13 N 1.10 0.86 -0.04 2.41 0.00 -1.25 -0.34 119.26 122.00 3n2l h ALA 13 Ca 0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3n2l h ALA 13 Cb 0.03 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3n2l h ALA 13 CO -0.06 0.19 0.02 -0.07 0.00 0.00 0.00 179.25 179.32 3n2l h LEU 14 N 0.82 0.05 -0.99 0.00 3.38 -1.24 0.13 115.31 117.45 3n2l h LEU 14 Ca 0.26 -0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.24 3n2l h LEU 14 Cb 0.00 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 3n2l h LEU 14 CO -0.10 0.11 0.63 -0.08 0.09 0.00 0.00 178.44 179.10 3n2l h GLU 15 N -0.02 1.06 -0.51 1.13 4.81 -0.29 -2.33 114.58 118.43 3n2l h GLU 15 Ca 0.01 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3n2l h GLU 15 Cb 0.07 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.22 3n2l h GLU 15 CO -0.00 0.70 0.00 1.63 -0.73 0.00 0.00 179.01 180.61 3n2l n LYS 16 N -4.56 2.20 -1.08 1.92 4.76 -0.21 -4.91 118.16 116.28 3n2l n LYS 16 Ca 0.16 -1.86 -0.03 0.00 -2.87 0.00 0.00 58.31 53.72 3n2l n LYS 16 Cb 0.25 -1.40 -0.01 0.00 -1.84 0.00 0.00 35.03 32.02 3n2l n LYS 16 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3n2l n GLN 17 N 1.01 -0.97 -0.10 1.97 1.13 -0.88 -4.87 117.38 114.68 3n2l n GLN 17 Ca 0.17 0.42 -0.13 0.00 -1.94 0.00 0.00 57.00 55.52 3n2l n GLN 17 Cb 0.44 -4.24 -0.04 0.00 0.11 0.00 0.00 30.24 26.50 3n2l n GLN 17 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3n2l h VAL 18 N 0.00 1.30 -3.32 5.09 2.07 -1.03 -3.42 116.25 116.94 3n2l h VAL 18 Ca -0.06 -1.32 -0.63 0.00 0.82 0.00 0.00 66.70 65.51 3n2l h VAL 18 Cb 0.57 1.53 -0.21 0.00 -1.52 0.00 0.00 31.29 31.66 3n2l h VAL 18 CO 0.08 0.42 -0.65 -0.22 0.02 0.00 0.00 177.57 177.22 3n2l s LEU 19 N -9.10 3.34 0.01 2.57 2.96 -0.78 -1.54 118.68 116.14 3n2l s LEU 19 Ca -0.13 -0.10 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 3n2l s LEU 19 Cb 0.08 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.95 3n2l s LEU 19 CO 0.81 0.16 -0.05 -0.54 -1.32 0.00 0.00 176.35 175.41 3n2l s LYS 20 N 0.44 0.37 0.09 1.98 1.02 -0.11 -4.23 119.74 119.30 3n2l s LYS 20 Ca -0.02 -0.29 0.02 0.00 0.02 0.00 0.00 55.97 55.70 3n2l s LYS 20 Cb -0.14 -0.29 -0.04 0.00 -0.52 0.00 0.00 37.83 36.84 3n2l s LYS 20 CO 0.02 0.07 0.15 -0.06 -0.92 0.00 0.00 175.35 174.62 3n2l s PHE 21 N -0.42 3.32 0.00 3.18 0.08 -1.26 -0.19 117.98 122.69 3n2l s PHE 21 Ca -0.02 0.13 0.00 0.00 0.12 0.00 0.00 56.93 57.16 3n2l s PHE 21 Cb -0.04 -1.66 0.00 0.00 -0.57 0.00 0.00 43.02 40.76 3n2l s PHE 21 CO -0.00 0.54 0.00 0.41 -0.10 0.00 0.00 175.22 176.07 3n2l n GLY 22 N 0.19 -0.19 2.78 4.36 0.00 0.14 -4.94 105.19 107.53 3n2l n GLY 22 Ca -0.07 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 3n2l n GLY 22 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3n2l s GLU 23 N -1.69 1.01 0.22 1.61 2.02 -1.26 -3.98 118.70 116.64 3n2l s GLU 23 Ca 0.00 -1.48 0.07 0.00 0.02 0.00 0.00 54.97 53.58 3n2l s GLU 23 Cb 0.00 -2.30 -0.04 0.00 0.10 0.00 0.00 34.13 31.89 3n2l s GLU 23 CO 0.00 -1.03 0.09 -0.06 0.02 0.00 0.00 175.26 174.28 3n2l s PHE 24 N 1.13 2.96 -0.29 1.61 0.08 0.24 -4.94 117.98 118.77 3n2l s PHE 24 Ca 0.12 -0.13 -0.05 0.00 0.12 0.00 0.00 56.93 56.99 3n2l s PHE 24 Cb -0.20 -1.37 0.02 0.00 -0.57 0.00 0.00 43.02 40.90 3n2l s PHE 24 CO -0.15 0.54 0.05 -0.08 -0.10 0.00 0.00 175.22 175.48 3n2l s THR 25 N -2.01 3.69 -0.13 0.64 -1.32 -1.26 0.32 115.64 115.57 3n2l s THR 25 Ca 0.31 -0.81 -0.24 0.00 -1.21 0.00 0.00 61.69 59.74 3n2l s THR 25 Cb -0.08 -2.91 -0.02 0.00 -1.51 0.00 0.00 72.50 67.97 3n2l s THR 25 CO 0.22 0.09 0.77 -0.76 -2.21 0.00 0.00 174.62 172.72 3n2l s LEU 26 N 1.45 4.23 0.54 9.08 1.43 0.19 -4.91 118.68 130.68 3n2l s LEU 26 Ca 0.02 1.15 0.24 0.00 -1.03 0.00 0.00 54.13 54.51 3n2l s LEU 26 Cb -0.17 -3.15 1.41 0.00 0.03 0.00 0.00 46.19 44.31 3n2l s LEU 26 CO 0.01 -0.28 2.04 0.11 0.23 0.00 0.00 176.35 178.46 3n2l h LYS 27 N 7.14 0.00 -0.00 1.70 6.56 -1.98 0.86 116.57 130.85 3n2l h LYS 27 Ca -0.34 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.25 3n2l h LYS 27 Cb 1.16 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.82 3n2l h LYS 27 CO 0.80 0.00 0.07 0.66 -2.06 0.00 0.00 179.45 178.91 3n2l h SER 28 N 0.00 0.00 0.00 0.86 4.64 -2.05 -3.46 113.55 113.55 3n2l h SER 28 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3n2l h SER 28 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3n2l h SER 28 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3n2l n GLY 29 N -1.12 2.68 3.47 -0.77 0.00 0.30 -5.12 105.19 104.64 3n2l n GLY 29 Ca -0.03 -0.56 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 3n2l n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n2l n ARG 30 N 0.00 0.59 -3.39 1.61 1.74 -1.25 -4.42 116.66 111.54 3n2l n ARG 30 Ca 0.00 0.22 -0.38 0.00 -0.77 0.00 0.00 57.85 56.92 3n2l n ARG 30 Cb 0.00 -1.67 -0.08 0.00 -1.02 0.00 0.00 32.46 29.70 3n2l n ARG 30 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3n2l s LYS 31 N -1.92 4.15 0.01 5.56 2.47 -1.26 -0.64 119.74 128.11 3n2l s LYS 31 Ca 0.67 0.18 0.06 0.00 -1.56 0.00 0.00 55.97 55.32 3n2l s LYS 31 Cb -0.50 -3.55 -0.03 0.00 -1.46 0.00 0.00 37.83 32.29 3n2l s LYS 31 CO 0.56 -0.07 -0.18 0.45 0.16 0.00 0.00 175.35 176.26 3n2l s SER 32 N 1.12 3.74 0.00 1.43 0.15 0.15 -4.94 113.70 115.35 3n2l s SER 32 Ca 0.18 -0.37 0.25 0.00 0.70 0.00 0.00 55.95 56.72 3n2l s SER 32 Cb -0.15 -0.63 1.09 0.00 -1.71 0.00 0.00 66.02 64.61 3n2l s SER 32 CO 0.08 0.29 1.81 -0.81 1.20 0.00 0.00 173.24 175.81 3n2l n PRO 33 N 1.91 0.01 -4.01 5.44 -0.04 -1.26 0.81 135.00 137.85 3n2l n PRO 33 Ca -0.16 0.06 -0.08 0.00 -0.04 0.00 0.00 63.50 63.28 3n2l n PRO 33 Cb 0.52 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 3n2l n PRO 33 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3n2l s TYR 34 N -2.99 0.36 0.03 0.54 -0.85 -1.26 0.25 117.35 113.43 3n2l s TYR 34 Ca 0.12 -0.79 0.05 0.00 -0.52 0.00 0.00 57.07 55.94 3n2l s TYR 34 Cb 0.17 -0.27 -0.02 0.00 0.38 0.00 0.00 41.96 42.22 3n2l s TYR 34 CO 0.46 -0.35 -0.16 0.12 -1.52 0.00 0.00 175.55 174.10 3n2l s PHE 35 N -3.12 1.41 -0.11 -3.49 5.36 0.73 -4.80 117.98 113.97 3n2l s PHE 35 Ca -0.01 -0.34 -0.03 0.00 -0.96 0.00 0.00 56.93 55.59 3n2l s PHE 35 Cb 0.02 -0.85 0.05 0.00 -0.34 0.00 0.00 43.02 41.90 3n2l s PHE 35 CO -0.07 0.04 0.09 0.12 -1.46 0.00 0.00 175.22 173.94 3n2l s PHE 36 N -0.73 0.07 -0.30 10.12 5.36 -1.25 -0.93 117.98 130.31 3n2l s PHE 36 Ca 0.04 0.06 -0.02 0.00 -0.96 0.00 0.00 56.93 56.05 3n2l s PHE 36 Cb -0.08 -0.54 0.10 0.00 -0.34 0.00 0.00 43.02 42.16 3n2l s PHE 36 CO 0.01 -0.36 0.10 1.21 -1.46 0.00 0.00 175.22 174.73 3n2l s ASN 37 N 2.18 3.89 0.39 6.13 2.47 -0.59 -5.01 114.94 124.40 3n2l s ASN 37 Ca 0.04 -1.53 0.28 0.00 0.42 0.00 0.00 52.86 52.07 3n2l s ASN 37 Cb -0.14 -0.74 1.24 0.00 -1.45 0.00 0.00 41.25 40.16 3n2l s ASN 37 CO -0.06 -0.42 1.85 0.00 -3.72 0.00 0.00 177.10 174.75 3n2l h ALA 38 N 8.17 1.00 -0.13 1.71 0.00 -1.97 -2.72 119.26 125.32 3n2l h ALA 38 Ca -0.15 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.80 3n2l h ALA 38 Cb 1.02 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3n2l h ALA 38 CO 0.46 0.00 0.10 0.78 0.00 0.00 0.00 179.25 180.59 3n2l h GLY 39 N 1.76 0.00 2.00 0.00 0.00 -1.98 -1.04 103.07 103.81 3n2l h GLY 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3n2l h GLY 39 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 3n2l n LEU 40 N -4.45 0.15 -4.45 3.11 4.77 -1.03 -3.87 117.00 111.23 3n2l n LEU 40 Ca 0.00 0.56 -0.43 0.00 -0.03 0.00 0.00 56.01 56.11 3n2l n LEU 40 Cb 0.22 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 3n2l n LEU 40 CO 0.34 -0.50 2.04 0.49 -1.33 0.00 0.00 177.39 178.43 3n2l n PHE 41 N -1.69 4.52 -1.10 -1.77 3.72 -0.40 -4.71 117.46 116.04 3n2l n PHE 41 Ca 0.01 -2.89 0.09 0.00 -0.05 0.00 0.00 57.45 54.61 3n2l n PHE 41 Cb 0.08 -2.59 0.12 0.00 -0.94 0.00 0.00 39.48 36.14 3n2l n PHE 41 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3n2l n ASN 42 N 7.87 2.12 -4.52 4.37 0.23 -1.25 -4.60 115.26 119.48 3n2l n ASN 42 Ca 0.49 -2.93 -0.25 0.00 -0.53 0.00 0.00 54.58 51.36 3n2l n ASN 42 Cb 0.45 -0.39 -0.11 0.00 -2.08 0.00 0.00 39.78 37.65 3n2l n ASN 42 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 3n2l s THR 43 N -2.52 1.83 0.14 5.53 -4.23 -1.26 -5.03 115.64 110.09 3n2l s THR 43 Ca 0.27 -2.08 -0.18 0.00 -1.18 0.00 0.00 61.69 58.52 3n2l s THR 43 Cb 0.24 -2.73 -0.02 0.00 1.34 0.00 0.00 72.50 71.33 3n2l s THR 43 CO 0.03 -0.13 1.75 1.23 -0.54 0.00 0.00 174.62 176.96 3n2l h GLY 44 N 2.02 0.34 1.66 3.99 0.00 -1.98 -0.12 103.07 108.98 3n2l h GLY 44 Ca -0.42 -0.07 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 3n2l h GLY 44 CO 0.73 0.04 0.01 -0.09 0.00 0.00 0.00 176.54 177.23 3n2l h ARG 45 N 0.23 0.43 -0.28 4.80 2.43 -1.98 0.51 114.38 120.53 3n2l h ARG 45 Ca 0.12 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3n2l h ARG 45 Cb 0.07 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3n2l h ARG 45 CO -0.11 0.45 0.10 -0.44 -1.51 0.00 0.00 179.97 178.46 3n2l h ASP 46 N 0.42 0.39 0.01 -3.80 3.32 -1.75 -0.14 116.42 114.88 3n2l h ASP 46 Ca 0.10 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 3n2l h ASP 46 Cb 0.26 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3n2l h ASP 46 CO 0.01 0.46 -0.15 -0.07 -1.72 0.00 0.00 179.24 177.77 3n2l h LEU 47 N 0.29 0.26 0.23 1.55 3.38 -0.34 0.30 115.31 120.98 3n2l h LEU 47 Ca 0.09 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3n2l h LEU 47 Cb 0.20 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3n2l h LEU 47 CO -0.01 0.44 -0.11 0.00 0.09 0.00 0.00 178.44 178.85 3n2l h ALA 48 N 1.59 -0.30 -0.30 1.53 0.00 -0.54 -2.63 119.26 118.61 3n2l h ALA 48 Ca 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3n2l h ALA 48 Cb 0.42 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3n2l h ALA 48 CO 0.03 -0.48 0.16 0.00 0.00 0.00 0.00 179.25 178.95 3n2l h ARG 49 N -0.68 0.42 -0.69 0.00 3.08 -0.74 -3.06 114.38 112.71 3n2l h ARG 49 Ca -0.03 -0.05 0.13 0.00 0.07 0.00 0.00 59.98 60.09 3n2l h ARG 49 Cb 0.48 -0.08 -0.09 0.00 0.08 0.00 0.00 29.97 30.36 3n2l h ARG 49 CO 0.05 0.37 0.25 1.25 -1.07 0.00 0.00 179.97 180.81 3n2l h LEU 50 N 0.36 0.20 -1.06 3.04 5.85 -0.50 -1.40 115.31 121.80 3n2l h LEU 50 Ca 0.10 0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 3n2l h LEU 50 Cb 0.07 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3n2l h LEU 50 CO -0.02 0.09 -0.40 1.23 -0.34 0.00 0.00 178.44 179.00 3n2l h GLY 51 N 0.40 0.00 1.29 3.75 0.00 -1.40 -1.09 103.07 106.03 3n2l h GLY 51 Ca 0.37 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.55 3n2l h GLY 51 CO -0.38 0.00 -0.39 3.21 0.00 0.00 0.00 176.54 178.98 3n2l h ARG 52 N 0.00 0.78 -0.32 4.80 3.08 -1.19 -0.78 114.38 120.74 3n2l h ARG 52 Ca -0.00 -0.40 -0.02 0.00 0.07 0.00 0.00 59.98 59.62 3n2l h ARG 52 Cb 0.83 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 3n2l h ARG 52 CO 0.05 1.03 0.12 0.74 -1.07 0.00 0.00 179.97 180.84 3n2l h PHE 53 N 0.64 0.50 -0.62 3.04 0.04 -1.00 -0.37 116.94 119.16 3n2l h PHE 53 Ca 0.05 -0.04 0.06 0.00 2.80 0.00 0.00 57.97 60.84 3n2l h PHE 53 Cb 0.94 -0.15 -0.05 0.00 2.20 0.00 0.00 35.95 38.89 3n2l h PHE 53 CO 0.05 0.49 0.34 1.88 -0.60 0.00 0.00 178.31 180.46 3n2l h TYR 54 N 0.37 0.61 -0.41 -0.55 -1.99 -1.16 -1.12 116.97 112.73 3n2l h TYR 54 Ca 0.11 0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.77 3n2l h TYR 54 Cb 0.21 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 38.74 3n2l h TYR 54 CO -0.00 0.29 -0.12 0.00 -0.00 0.00 0.00 178.16 178.33 3n2l h ALA 55 N 1.33 1.03 -0.52 3.88 0.00 -1.00 -1.20 119.26 122.78 3n2l h ALA 55 Ca 0.28 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3n2l h ALA 55 Cb 0.18 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3n2l h ALA 55 CO -0.18 0.59 0.13 0.00 0.00 0.00 0.00 179.25 179.78 3n2l h ALA 56 N 1.21 0.68 -0.60 0.00 0.00 -0.62 -1.06 119.26 118.87 3n2l h ALA 56 Ca 0.11 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 3n2l h ALA 56 Cb 0.58 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3n2l h ALA 56 CO 0.04 0.38 0.01 0.00 0.00 0.00 0.00 179.25 179.67 3n2l h ALA 57 N 1.00 0.81 0.17 0.00 0.00 -0.78 -1.06 119.26 119.40 3n2l h ALA 57 Ca 0.16 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3n2l h ALA 57 Cb 0.33 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3n2l h ALA 57 CO 0.00 0.65 -0.08 -0.07 0.00 0.00 0.00 179.25 179.75 3n2l h LEU 58 N 0.96 -0.19 -0.61 0.00 3.38 -0.96 -1.39 115.31 116.49 3n2l h LEU 58 Ca 0.17 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.14 3n2l h LEU 58 Cb 0.55 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 3n2l h LEU 58 CO 0.03 -0.11 0.39 0.58 0.09 0.00 0.00 178.44 179.42 3n2l h VAL 59 N -0.25 1.12 -0.67 1.22 2.07 -1.17 -2.11 116.25 116.46 3n2l h VAL 59 Ca -0.02 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3n2l h VAL 59 Cb 0.20 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 3n2l h VAL 59 CO 0.04 0.14 0.42 -0.78 0.02 0.00 0.00 177.57 177.41 3n2l h ASP 60 N 0.78 0.78 -0.04 0.57 3.58 -1.10 -2.73 116.42 118.27 3n2l h ASP 60 Ca 0.24 -0.03 -0.08 0.00 0.42 0.00 0.00 57.03 57.58 3n2l h ASP 60 Cb -0.04 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.80 3n2l h ASP 60 CO -0.08 0.59 -0.20 0.77 -2.88 0.00 0.00 179.24 177.44 3n2l h SER 61 N 0.92 0.40 0.00 2.28 4.64 -0.56 -3.46 113.55 117.77 3n2l h SER 61 Ca 0.24 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3n2l h SER 61 Cb -0.07 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 3n2l h SER 61 CO -0.05 0.61 0.00 0.61 -0.87 0.00 0.00 176.83 177.13 3n2l n GLY 62 N -0.55 1.57 3.70 -0.77 0.00 -1.03 -5.00 105.19 103.10 3n2l n GLY 62 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3n2l n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3n2l s ILE 63 N -3.45 3.05 -0.03 -0.61 1.01 -1.26 -4.97 121.20 114.93 3n2l s ILE 63 Ca 0.00 0.59 -0.25 0.00 0.00 0.00 0.00 60.65 60.99 3n2l s ILE 63 Cb 0.00 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 3n2l s ILE 63 CO 0.00 0.01 0.78 -1.61 0.00 0.00 0.00 174.94 174.12 3n2l s GLU 64 N 2.13 4.48 0.02 2.79 2.02 -1.26 -5.00 118.70 123.88 3n2l s GLU 64 Ca 0.71 1.05 0.00 0.00 0.02 0.00 0.00 54.97 56.75 3n2l s GLU 64 Cb -0.39 -3.43 -0.02 0.00 0.10 0.00 0.00 34.13 30.38 3n2l s GLU 64 CO 0.31 0.09 -0.04 -0.59 0.02 0.00 0.00 175.26 175.05 3n2l s PHE 65 N 0.66 0.31 -0.07 1.61 -0.71 -1.26 -4.93 117.98 113.59 3n2l s PHE 65 Ca 0.41 -0.52 0.22 0.00 -1.04 0.00 0.00 56.93 56.00 3n2l s PHE 65 Cb -0.19 -0.21 -0.29 0.00 -1.21 0.00 0.00 43.02 41.11 3n2l s PHE 65 CO 0.21 -0.17 0.53 -0.25 -1.34 0.00 0.00 175.22 174.20 3n2l n ASP 66 N 1.61 0.12 -3.71 1.98 8.00 0.23 -4.97 116.55 119.81 3n2l n ASP 66 Ca -0.24 0.05 -0.13 0.00 0.71 0.00 0.00 54.79 55.18 3n2l n ASP 66 Cb 0.55 1.72 -0.09 0.00 -0.02 0.00 0.00 41.12 43.27 3n2l n ASP 66 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3n2l s VAL 67 N -3.42 0.00 -0.29 2.53 0.11 -1.01 -4.24 120.40 114.08 3n2l s VAL 67 Ca -0.07 -0.02 -0.11 0.00 -2.93 0.00 0.00 61.98 58.85 3n2l s VAL 67 Cb 0.13 -0.65 -0.04 0.00 -1.53 0.00 0.00 36.38 34.29 3n2l s VAL 67 CO 0.89 -0.01 0.19 -0.22 -3.33 0.00 0.00 175.10 172.62 3n2l s LEU 68 N 0.17 4.09 -0.11 2.54 2.96 -0.43 -1.03 118.68 126.87 3n2l s LEU 68 Ca -0.01 -0.14 -0.00 0.00 -0.22 0.00 0.00 54.13 53.76 3n2l s LEU 68 Cb -0.03 -2.10 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 3n2l s LEU 68 CO 0.01 -0.10 -0.11 0.12 -1.32 0.00 0.00 176.35 174.95 3n2l s PHE 69 N 1.73 2.85 -0.21 5.38 5.36 0.26 -1.23 117.98 132.12 3n2l s PHE 69 Ca 0.07 -0.42 -0.00 0.00 -0.96 0.00 0.00 56.93 55.61 3n2l s PHE 69 Cb -0.16 -1.82 0.02 0.00 -0.34 0.00 0.00 43.02 40.72 3n2l s PHE 69 CO 0.10 -0.05 -0.13 0.20 -1.46 0.00 0.00 175.22 173.88 3n2l s GLY 70 N 0.05 1.51 0.28 13.12 0.00 -0.66 -1.46 107.32 120.16 3n2l s GLY 70 Ca -0.04 -1.33 -0.29 0.00 0.00 0.00 0.00 44.72 43.07 3n2l s GLY 70 CO 0.04 0.40 0.99 2.56 0.00 0.00 0.00 173.10 177.09 3n2l s PRO 71 N 1.31 4.70 0.24 2.90 0.04 -1.26 -3.89 135.00 139.03 3n2l s PRO 71 Ca 0.02 1.54 -0.31 0.00 0.04 0.00 0.00 61.00 62.30 3n2l s PRO 71 Cb -0.15 -3.11 -0.11 0.00 0.04 0.00 0.00 34.50 31.18 3n2l s PRO 71 CO -0.08 0.34 1.55 0.00 0.04 0.00 0.00 177.00 178.85 3n2l s ALA 72 N -1.30 3.74 -0.17 8.56 0.00 -1.26 -0.31 121.76 131.02 3n2l s ALA 72 Ca 0.45 1.45 0.08 0.00 0.00 0.00 0.00 51.96 53.94 3n2l s ALA 72 Cb -0.26 -3.62 -0.16 0.00 0.00 0.00 0.00 23.12 19.08 3n2l s ALA 72 CO 0.32 -0.85 -0.04 0.66 0.00 0.00 0.00 175.76 175.85 3n2l n TYR 73 N 2.88 0.00 0.26 0.00 4.02 -1.26 -4.77 117.16 118.29 3n2l n TYR 73 Ca 0.10 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.09 3n2l n TYR 73 Cb 0.38 -0.74 0.71 0.00 -0.02 0.00 0.00 39.34 39.67 3n2l n TYR 73 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 3n2l h LYS 74 N 0.00 0.00 0.00 -0.72 1.79 -1.97 -2.08 116.57 113.59 3n2l h LYS 74 Ca -0.42 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 3n2l h LYS 74 Cb 1.82 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.47 3n2l h LYS 74 CO -0.02 0.07 0.00 0.78 -1.08 0.00 0.00 179.45 179.20 3n2l h GLY 75 N 0.30 0.00 0.72 3.86 0.00 -0.92 -3.34 103.07 103.69 3n2l h GLY 75 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3n2l h GLY 75 CO 0.01 0.00 -0.08 -2.22 0.00 0.00 0.00 176.54 174.25 3n2l h ILE 76 N 0.00 0.95 -0.36 2.60 2.04 -1.38 0.24 117.51 121.61 3n2l h ILE 76 Ca 0.00 -0.59 -0.10 0.00 1.00 0.00 0.00 64.86 65.18 3n2l h ILE 76 Cb 0.71 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 3n2l h ILE 76 CO 0.00 0.14 -0.18 1.55 0.00 0.00 0.00 178.15 179.66 3n2l h PRO 77 N -0.51 0.66 -0.39 2.37 0.14 -1.75 -1.09 132.00 131.43 3n2l h PRO 77 Ca -0.02 -0.23 -0.12 0.00 0.14 0.00 0.00 66.00 65.77 3n2l h PRO 77 Cb 0.39 -0.05 -0.01 0.00 0.14 0.00 0.00 31.00 31.47 3n2l h PRO 77 CO 0.04 0.80 -0.22 0.82 0.14 0.00 0.00 178.00 179.57 3n2l h ILE 78 N 0.59 1.28 -0.51 -3.56 2.04 -1.67 -1.08 117.51 114.61 3n2l h ILE 78 Ca 0.09 -1.37 -0.10 0.00 1.00 0.00 0.00 64.86 64.49 3n2l h ILE 78 Cb 0.63 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 3n2l h ILE 78 CO 0.04 0.46 -0.07 0.00 0.00 0.00 0.00 178.15 178.58 3n2l h ALA 79 N 0.80 0.91 0.56 1.87 0.00 -0.88 -1.61 119.26 120.91 3n2l h ALA 79 Ca 0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3n2l h ALA 79 Cb 0.78 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3n2l h ALA 79 CO 0.06 0.64 -0.32 1.15 0.00 0.00 0.00 179.25 180.78 3n2l h THR 80 N 0.83 0.35 -0.36 0.00 2.02 -1.00 -2.07 112.91 112.68 3n2l h THR 80 Ca 0.14 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.23 3n2l h THR 80 Cb 0.59 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 3n2l h THR 80 CO 0.04 0.00 -0.14 0.00 0.37 0.00 0.00 175.52 175.78 3n2l h THR 81 N -0.82 1.25 -0.50 3.16 1.03 -1.21 -1.27 112.91 114.55 3n2l h THR 81 Ca -0.07 -1.15 -0.05 0.00 -0.01 0.00 0.00 66.41 65.13 3n2l h THR 81 Cb 0.66 1.13 -0.02 0.00 -1.07 0.00 0.00 68.15 68.85 3n2l h THR 81 CO 0.09 0.38 0.09 0.74 -0.01 0.00 0.00 175.52 176.81 3n2l h THR 82 N 0.58 1.22 0.00 0.00 2.02 -1.30 -1.81 112.91 113.63 3n2l h THR 82 Ca 0.10 -0.84 -0.16 0.00 0.77 0.00 0.00 66.41 66.28 3n2l h THR 82 Cb 0.58 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 3n2l h THR 82 CO 0.04 0.31 -0.76 0.00 0.37 0.00 0.00 175.52 175.47 3n2l h ALA 83 N 1.35 0.70 -0.29 6.16 0.00 -0.99 -1.28 119.26 124.90 3n2l h ALA 83 Ca 0.16 -0.69 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 3n2l h ALA 83 Cb 0.32 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3n2l h ALA 83 CO 0.00 0.95 -0.15 0.28 0.00 0.00 0.00 179.25 180.33 3n2l h VAL 84 N 0.00 1.30 -0.27 0.00 2.07 -1.04 -2.63 116.25 115.67 3n2l h VAL 84 Ca -0.01 -1.25 -0.09 0.00 0.82 0.00 0.00 66.70 66.18 3n2l h VAL 84 Cb 1.38 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 3n2l h VAL 84 CO 0.10 0.40 -0.16 0.00 0.02 0.00 0.00 177.57 177.92 3n2l h ALA 85 N 0.75 0.38 -0.78 1.67 0.00 -1.17 0.25 119.26 120.36 3n2l h ALA 85 Ca 0.06 -0.34 0.15 0.00 0.00 0.00 0.00 54.91 54.79 3n2l h ALA 85 Cb 0.67 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.27 3n2l h ALA 85 CO 0.04 0.29 0.33 -0.07 0.00 0.00 0.00 179.25 179.84 3n2l h LEU 86 N 0.32 0.31 -0.15 0.00 3.38 -1.30 0.16 115.31 118.02 3n2l h LEU 86 Ca 0.06 0.11 -0.20 0.00 0.09 0.00 0.00 57.88 57.94 3n2l h LEU 86 Cb 0.69 0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.54 3n2l h LEU 86 CO 0.05 0.11 -0.67 0.00 0.09 0.00 0.00 178.44 178.01 3n2l h ALA 87 N 1.57 0.29 0.03 1.53 0.00 -0.77 -1.30 119.26 120.61 3n2l h ALA 87 Ca 0.44 -0.56 -0.26 0.00 0.00 0.00 0.00 54.91 54.52 3n2l h ALA 87 Cb 0.68 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3n2l h ALA 87 CO -0.42 0.59 -1.38 -0.44 0.00 0.00 0.00 179.25 177.61 3n2l h ASP 88 N 0.43 0.10 0.00 0.00 3.32 -0.11 -3.26 116.42 116.90 3n2l h ASP 88 Ca -0.04 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.86 3n2l h ASP 88 Cb 1.30 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.82 3n2l h ASP 88 CO 0.14 1.12 -1.06 1.41 -1.72 0.00 0.00 179.24 179.13 3n2l n HIS 89 N -3.28 0.00 -0.29 4.55 8.25 0.51 -4.61 115.22 120.35 3n2l n HIS 89 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 3n2l n HIS 89 Cb 1.00 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.98 3n2l n HIS 89 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3n2l n HIS 90 N -1.60 0.00 -4.01 4.41 8.25 -0.57 -5.00 115.22 116.70 3n2l n HIS 90 Ca 0.00 -0.15 -0.32 0.00 -0.26 0.00 0.00 57.72 56.99 3n2l n HIS 90 Cb 0.27 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.37 3n2l n HIS 90 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3n2l n ASP 91 N -0.15 -4.30 -4.08 0.41 2.03 -1.01 -4.94 116.55 104.51 3n2l n ASP 91 Ca 0.00 -0.85 -0.32 0.00 0.52 0.00 0.00 54.79 54.14 3n2l n ASP 91 Cb 0.18 -3.54 -0.16 0.00 -0.72 0.00 0.00 41.12 36.88 3n2l n ASP 91 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3n2l s VAL 92 N -3.31 2.00 -0.89 5.18 1.01 -0.71 -4.99 120.40 118.69 3n2l s VAL 92 Ca 0.68 -1.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 3n2l s VAL 92 Cb -0.35 -1.93 0.23 0.00 0.00 0.00 0.00 36.38 34.33 3n2l s VAL 92 CO 0.86 0.33 0.83 -0.62 0.00 0.00 0.00 175.10 176.50 3n2l s ASP 93 N 1.27 6.73 0.07 3.32 2.15 -1.26 -1.90 116.67 127.04 3n2l s ASP 93 Ca 0.00 -3.02 -0.16 0.00 0.43 0.00 0.00 52.55 49.80 3n2l s ASP 93 Cb -0.15 -2.16 -0.06 0.00 -0.30 0.00 0.00 42.92 40.24 3n2l s ASP 93 CO -0.10 -0.45 0.51 0.28 -0.17 0.00 0.00 175.17 175.24 3n2l s THR 94 N -0.34 4.87 0.68 1.71 -1.32 -1.26 -5.05 115.64 114.93 3n2l s THR 94 Ca 0.22 0.98 -0.17 0.00 -1.21 0.00 0.00 61.69 61.51 3n2l s THR 94 Cb -0.11 -3.79 0.01 0.00 -1.51 0.00 0.00 72.50 67.10 3n2l s THR 94 CO -0.08 0.48 1.26 -2.84 -2.21 0.00 0.00 174.62 171.23 3n2l s PRO 95 N -1.34 2.36 0.05 7.08 0.02 -1.26 -4.90 135.00 137.01 3n2l s PRO 95 Ca 0.30 1.96 -0.01 0.00 0.02 0.00 0.00 61.00 63.26 3n2l s PRO 95 Cb -0.17 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.47 3n2l s PRO 95 CO 0.17 -1.72 -0.02 1.52 -0.33 0.00 0.00 177.00 176.63 3n2l s TYR 96 N -1.61 0.50 -0.07 6.54 1.13 -1.26 -1.31 117.35 121.26 3n2l s TYR 96 Ca 0.80 -1.03 -0.25 0.00 -1.41 0.00 0.00 57.07 55.17 3n2l s TYR 96 Cb -0.34 -0.37 0.06 0.00 -1.10 0.00 0.00 41.96 40.20 3n2l s TYR 96 CO 0.42 -0.39 0.57 0.00 -2.51 0.00 0.00 175.55 173.64 3n2l s PHE 98 N -0.98 0.21 0.25 0.00 -0.12 -0.05 -1.66 117.98 115.63 3n2l s PHE 98 Ca -0.10 -0.61 0.06 0.00 -0.05 0.00 0.00 56.93 56.23 3n2l s PHE 98 Cb -0.02 -0.04 -0.03 0.00 -0.63 0.00 0.00 43.02 42.30 3n2l s PHE 98 CO 0.07 -0.61 0.25 0.54 -0.05 0.00 0.00 175.22 175.42 3n2l s ASN 99 N -2.89 5.75 0.15 1.98 4.22 -1.25 -0.22 114.94 122.67 3n2l s ASN 99 Ca 0.09 -0.17 -0.02 0.00 -2.14 0.00 0.00 52.86 50.62 3n2l s ASN 99 Cb 0.04 -1.51 -0.05 0.00 1.28 0.00 0.00 41.25 41.01 3n2l s ASN 99 CO -0.07 -0.07 0.34 -0.13 -2.04 0.00 0.00 177.10 175.13 3n2l s ARG 100 N -3.90 3.54 0.06 3.55 0.52 -0.55 -4.19 118.95 117.98 3n2l s ARG 100 Ca 0.34 -0.26 -0.28 0.00 -0.52 0.00 0.00 55.73 55.01 3n2l s ARG 100 Cb -0.08 -2.89 -0.17 0.00 0.52 0.00 0.00 34.95 32.33 3n2l s ARG 100 CO 0.26 0.48 1.57 0.87 0.02 0.00 0.00 175.30 178.49 3n2l h LYS 101 N 2.59 -0.52 0.00 3.54 1.79 -2.00 -3.42 116.57 118.55 3n2l h LYS 101 Ca -0.46 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 3n2l h LYS 101 Cb 1.17 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 3n2l h LYS 101 CO 0.72 -0.30 0.00 0.39 -1.08 0.00 0.00 179.45 179.17 3n2l n GLU 102 N -5.29 0.00 0.00 3.15 1.02 -1.26 -5.19 120.64 113.07 3n2l n GLU 102 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 3n2l n GLU 102 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.67 3n2l n GLU 102 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3n2l n ASN 111 N 0.00 0.00 -4.52 1.62 4.05 -1.26 -5.34 115.26 109.80 3n2l n ASN 111 Ca 0.00 0.00 -0.30 0.00 0.45 0.00 0.00 54.58 54.73 3n2l n ASN 111 Cb 0.00 0.00 -0.11 0.00 1.23 0.00 0.00 39.78 40.90 3n2l n ASN 111 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3n2l s LEU 112 N 0.00 2.85 -0.07 1.20 1.43 -1.26 -1.48 118.68 121.35 3n2l s LEU 112 Ca 0.00 -0.42 0.04 0.00 -1.03 0.00 0.00 54.13 52.72 3n2l s LEU 112 Cb 0.00 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 3n2l s LEU 112 CO 0.00 0.21 -0.18 -0.69 0.23 0.00 0.00 176.35 175.91 3n2l s VAL 113 N -1.10 2.65 0.00 -1.59 1.01 0.69 -4.97 120.40 117.09 3n2l s VAL 113 Ca 0.18 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.31 3n2l s VAL 113 Cb -0.11 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.25 3n2l s VAL 113 CO 0.10 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.38 3n2l n GLY 114 N 2.80 1.00 3.92 4.51 0.00 -1.26 -0.87 105.19 115.28 3n2l n GLY 114 Ca -0.17 -1.42 -0.27 0.00 0.00 0.00 0.00 46.02 44.15 3n2l n GLY 114 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3n2l s SER 115 N -4.00 4.86 0.38 1.61 0.15 -0.03 -4.99 113.70 111.68 3n2l s SER 115 Ca 0.00 0.63 -0.25 0.00 0.70 0.00 0.00 55.95 57.03 3n2l s SER 115 Cb 0.00 -1.28 -0.09 0.00 -1.71 0.00 0.00 66.02 62.94 3n2l s SER 115 CO 0.00 -1.61 1.09 -0.54 1.20 0.00 0.00 173.24 173.38 3n2l s LYS 116 N -5.32 4.20 -1.05 5.44 1.02 -1.26 -4.67 119.74 118.10 3n2l s LYS 116 Ca 0.60 1.64 -0.22 0.00 0.02 0.00 0.00 55.97 58.02 3n2l s LYS 116 Cb -0.11 -2.68 0.06 0.00 -0.52 0.00 0.00 37.83 34.59 3n2l s LYS 116 CO 0.46 -0.14 1.45 -0.51 -0.92 0.00 0.00 175.35 175.70 3n2l s LEU 117 N -2.42 3.75 0.04 3.17 1.43 -1.26 -4.94 118.68 118.45 3n2l s LEU 117 Ca 0.56 -1.68 -0.01 0.00 -1.03 0.00 0.00 54.13 51.96 3n2l s LEU 117 Cb -0.26 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.38 3n2l s LEU 117 CO 0.33 -1.40 -0.01 -1.83 0.23 0.00 0.00 176.35 173.66 3n2l s GLU 118 N 4.55 0.51 4.26 1.70 -1.05 -1.26 -4.53 118.70 122.88 3n2l s GLU 118 Ca 0.46 -0.96 0.00 0.00 -0.15 0.00 0.00 54.97 54.31 3n2l s GLU 118 Cb -0.00 0.18 0.00 0.00 -0.44 0.00 0.00 34.13 33.87 3n2l s GLU 118 CO -0.07 -0.10 0.00 0.41 0.95 0.00 0.00 175.26 176.45 3n2l n GLY 119 N 0.67 0.92 3.61 -3.83 0.00 -1.26 -4.60 105.19 100.69 3n2l n GLY 119 Ca -0.18 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 3n2l n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3n2l s ARG 120 N 0.00 3.93 -0.21 1.61 0.52 -1.26 -1.17 118.95 122.37 3n2l s ARG 120 Ca 0.00 0.59 -0.09 0.00 -0.52 0.00 0.00 55.73 55.71 3n2l s ARG 120 Cb 0.00 -3.75 -0.04 0.00 0.52 0.00 0.00 34.95 31.68 3n2l s ARG 120 CO 0.00 -0.74 0.10 0.08 0.02 0.00 0.00 175.30 174.75 3n2l s VAL 121 N 3.08 4.96 -0.30 3.52 1.01 0.55 0.76 120.40 133.98 3n2l s VAL 121 Ca 0.34 0.04 -0.10 0.00 0.00 0.00 0.00 61.98 62.25 3n2l s VAL 121 Cb -0.14 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 3n2l s VAL 121 CO 0.14 0.41 0.16 -0.32 0.00 0.00 0.00 175.10 175.48 3n2l s MET 122 N 0.73 3.47 -0.16 2.72 1.75 -0.20 -0.46 119.30 127.15 3n2l s MET 122 Ca 0.05 -0.63 -0.14 0.00 -1.25 0.00 0.00 55.69 53.72 3n2l s MET 122 Cb -0.13 -3.57 -0.05 0.00 2.84 0.00 0.00 34.83 33.92 3n2l s MET 122 CO 0.02 -0.36 0.30 -1.17 -0.65 0.00 0.00 175.02 173.15 3n2l s LEU 123 N 1.64 4.23 -0.09 4.11 0.20 0.20 -0.58 118.68 128.41 3n2l s LEU 123 Ca 0.05 0.50 0.03 0.00 0.69 0.00 0.00 54.13 55.41 3n2l s LEU 123 Cb -0.17 -2.38 -0.01 0.00 -0.43 0.00 0.00 46.19 43.20 3n2l s LEU 123 CO 0.07 0.08 -0.18 0.68 -0.29 0.00 0.00 176.35 176.71 3n2l s VAL 124 N 0.54 2.61 0.34 1.68 -7.23 -0.53 0.01 120.40 117.82 3n2l s VAL 124 Ca 0.17 -0.85 -0.02 0.00 -1.81 0.00 0.00 61.98 59.47 3n2l s VAL 124 Cb -0.13 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 34.78 3n2l s VAL 124 CO 0.04 0.56 0.47 -0.62 -0.31 0.00 0.00 175.10 175.23 3n2l s ASP 125 N 0.00 0.94 -0.09 4.85 -1.08 -0.16 -4.29 116.67 116.83 3n2l s ASP 125 Ca -0.06 -1.49 -0.18 0.00 -0.52 0.00 0.00 52.55 50.29 3n2l s ASP 125 Cb -0.15 0.66 -0.15 0.00 -1.46 0.00 0.00 42.92 41.82 3n2l s ASP 125 CO 0.05 -1.29 0.61 -2.24 0.52 0.00 0.00 175.17 172.82 3n2l h ASP 126 N 2.11 -0.07 -5.32 -0.34 2.03 -1.85 -3.36 116.42 109.62 3n2l h ASP 126 Ca -0.28 -0.48 -0.10 0.00 -0.73 0.00 0.00 57.03 55.44 3n2l h ASP 126 Cb 1.24 0.02 -0.10 0.00 -0.83 0.00 0.00 39.33 39.66 3n2l h ASP 126 CO 0.39 0.62 -0.21 0.68 -1.03 0.00 0.00 179.24 179.69 3n2l s VAL 127 N -2.53 0.00 -0.31 4.15 -7.23 -1.26 -1.72 120.40 111.49 3n2l s VAL 127 Ca -0.11 -1.52 0.02 0.00 -1.81 0.00 0.00 61.98 58.55 3n2l s VAL 127 Cb -0.01 -2.29 0.08 0.00 0.56 0.00 0.00 36.38 34.72 3n2l s VAL 127 CO 0.42 0.00 -0.00 -0.63 -0.31 0.00 0.00 175.10 174.58 3n2l s ILE 128 N -3.96 2.51 -0.16 -0.62 1.01 -1.26 -4.97 121.20 113.75 3n2l s ILE 128 Ca 0.26 -1.85 -0.18 0.00 0.00 0.00 0.00 60.65 58.88 3n2l s ILE 128 Cb 0.01 -2.61 -0.15 0.00 0.01 0.00 0.00 42.46 39.72 3n2l s ILE 128 CO 0.10 -0.29 0.26 0.71 0.00 0.00 0.00 174.94 175.72 3n2l h THR 129 N 6.61 0.84 0.00 2.92 1.35 -1.99 -3.46 112.91 119.18 3n2l h THR 129 Ca -0.14 -1.82 0.00 0.00 -0.55 0.00 0.00 66.41 63.90 3n2l h THR 129 Cb 1.04 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 3n2l h THR 129 CO 0.52 0.29 -0.29 0.00 -0.25 0.00 0.00 175.52 175.79 3n2l n ALA 130 N -3.14 1.92 0.00 6.62 0.00 -1.26 -4.87 120.51 119.78 3n2l n ALA 130 Ca -0.16 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.68 3n2l n ALA 130 Cb 0.44 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.61 3n2l n ALA 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n2l n GLY 131 N 0.00 3.02 0.30 0.00 0.00 -1.26 -4.93 105.19 102.32 3n2l n GLY 131 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3n2l n GLY 131 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3n2l h THR 132 N 0.00 0.23 -0.45 2.61 1.35 -2.00 -1.85 112.91 112.79 3n2l h THR 132 Ca 0.00 -0.02 -0.12 0.00 -0.55 0.00 0.00 66.41 65.72 3n2l h THR 132 Cb 0.00 0.17 -0.01 0.00 -1.73 0.00 0.00 68.15 66.57 3n2l h THR 132 CO 0.00 0.01 -0.20 0.00 -0.25 0.00 0.00 175.52 175.08 3n2l h ALA 133 N 1.80 0.63 0.00 6.62 0.00 -1.97 -2.35 119.26 123.99 3n2l h ALA 133 Ca 0.45 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3n2l h ALA 133 Cb 0.79 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3n2l h ALA 133 CO -0.77 0.60 -0.22 0.82 0.00 0.00 0.00 179.25 179.68 3n2l h ILE 134 N 0.77 0.90 0.06 0.00 1.08 -1.79 -2.63 117.51 115.90 3n2l h ILE 134 Ca 0.10 -0.85 -0.00 0.00 -0.39 0.00 0.00 64.86 63.73 3n2l h ILE 134 Cb 0.77 1.49 0.00 0.00 -3.07 0.00 0.00 36.82 36.01 3n2l h ILE 134 CO 0.06 0.22 -0.03 -0.09 -0.69 0.00 0.00 178.15 177.62 3n2l h ARG 135 N 0.00 -0.07 -0.44 2.37 2.43 -0.83 0.50 114.38 118.33 3n2l h ARG 135 Ca -0.00 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3n2l h ARG 135 Cb 0.47 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 3n2l h ARG 135 CO 0.03 0.23 0.27 0.93 -1.51 0.00 0.00 179.97 179.92 3n2l h GLU 136 N -0.37 0.53 -0.58 0.20 5.08 -1.51 -1.37 114.58 116.55 3n2l h GLU 136 Ca -0.01 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3n2l h GLU 136 Cb 0.33 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 3n2l h GLU 136 CO 0.01 0.35 0.31 0.77 -1.00 0.00 0.00 179.01 179.46 3n2l h SER 137 N 0.55 0.74 -0.50 1.42 0.02 -1.27 -2.59 113.55 111.92 3n2l h SER 137 Ca 0.17 -0.10 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3n2l h SER 137 Cb -0.01 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 3n2l h SER 137 CO -0.07 0.63 0.32 -0.03 -1.14 0.00 0.00 176.83 176.53 3n2l h MET 138 N 0.79 0.63 -0.97 3.45 1.85 0.26 -1.52 114.93 119.41 3n2l h MET 138 Ca 0.20 -0.04 0.18 0.00 -0.61 0.00 0.00 59.70 59.43 3n2l h MET 138 Cb 0.06 -0.14 -0.09 0.00 0.43 0.00 0.00 31.60 31.86 3n2l h MET 138 CO -0.03 0.41 0.61 1.49 -0.40 0.00 0.00 176.91 178.99 3n2l h GLU 139 N 0.65 0.68 -0.19 0.39 4.81 -0.88 0.26 114.58 120.29 3n2l h GLU 139 Ca 0.19 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.21 3n2l h GLU 139 Cb -0.05 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.18 3n2l h GLU 139 CO -0.06 0.45 -0.56 -0.07 -0.73 0.00 0.00 179.01 178.05 3n2l h LEU 140 N 0.71 0.67 0.19 1.64 3.38 -1.04 -2.14 115.31 118.71 3n2l h LEU 140 Ca 0.53 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3n2l h LEU 140 Cb 0.89 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3n2l h LEU 140 CO -0.29 1.09 -0.09 0.40 0.09 0.00 0.00 178.44 179.64 3n2l h ILE 141 N 0.46 0.87 -0.57 1.22 2.04 -0.07 -2.40 117.51 119.05 3n2l h ILE 141 Ca 0.01 -0.96 0.07 0.00 1.00 0.00 0.00 64.86 64.98 3n2l h ILE 141 Cb 1.12 1.39 -0.06 0.00 -0.74 0.00 0.00 36.82 38.52 3n2l h ILE 141 CO 0.11 0.20 0.24 0.06 0.00 0.00 0.00 178.15 178.76 3n2l h GLN 142 N -0.78 0.44 -0.52 2.37 3.07 -0.70 0.22 115.11 119.21 3n2l h GLN 142 Ca -0.03 -0.03 0.15 0.00 0.09 0.00 0.00 58.65 58.84 3n2l h GLN 142 Cb 0.52 -0.10 -0.02 0.00 0.08 0.00 0.00 27.48 27.96 3n2l h GLN 142 CO 0.04 0.29 0.44 0.00 0.09 0.00 0.00 178.83 179.69 3n2l h ALA 143 N 1.36 2.38 -0.16 0.06 0.00 -1.26 0.39 119.26 122.03 3n2l h ALA 143 Ca 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3n2l h ALA 143 Cb 0.28 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3n2l h ALA 143 CO -0.25 -0.71 0.00 0.09 0.00 0.00 0.00 179.25 178.39 3n2l n ASN 144 N -4.08 3.11 -1.32 0.00 3.02 -0.05 -4.96 115.26 110.97 3n2l n ASN 144 Ca 0.10 -1.98 -0.17 0.00 -0.03 0.00 0.00 54.58 52.50 3n2l n ASN 144 Cb 0.65 -0.09 -0.07 0.00 -0.61 0.00 0.00 39.78 39.66 3n2l n ASN 144 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3n2l n LYS 145 N 1.35 -1.54 -1.55 3.52 4.01 0.14 -4.88 118.16 119.21 3n2l n LYS 145 Ca 0.16 1.11 -0.21 0.00 -0.51 0.00 0.00 58.31 58.86 3n2l n LYS 145 Cb 0.59 -5.50 0.14 0.00 -0.51 0.00 0.00 35.03 29.75 3n2l n LYS 145 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3n2l n ALA 146 N 1.32 -0.89 -2.69 7.82 0.00 -1.07 -4.82 120.51 120.18 3n2l n ALA 146 Ca -0.17 -1.33 -0.12 0.00 0.00 0.00 0.00 53.44 51.82 3n2l n ALA 146 Cb 0.65 -0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.99 3n2l n ALA 146 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3n2l s ASP 147 N -4.52 0.88 -0.63 0.00 1.47 -0.32 -4.44 116.67 109.11 3n2l s ASP 147 Ca 0.55 -0.66 -0.27 0.00 1.18 0.00 0.00 52.55 53.35 3n2l s ASP 147 Cb -0.02 0.06 0.03 0.00 -0.34 0.00 0.00 42.92 42.65 3n2l s ASP 147 CO 0.38 -0.28 1.17 -0.22 0.68 0.00 0.00 175.17 176.90 3n2l s LEU 148 N -1.94 3.51 0.14 2.11 2.96 -1.26 -0.33 118.68 123.87 3n2l s LEU 148 Ca -0.05 -0.18 0.10 0.00 -0.22 0.00 0.00 54.13 53.78 3n2l s LEU 148 Cb -0.06 -2.90 -0.15 0.00 0.50 0.00 0.00 46.19 43.58 3n2l s LEU 148 CO -0.01 -1.55 1.26 0.00 -1.32 0.00 0.00 176.35 174.73 3n2l h ALA 149 N 9.65 0.46 -1.36 5.97 0.00 -1.09 -3.41 119.26 129.49 3n2l h ALA 149 Ca -0.26 -0.85 0.31 0.00 0.00 0.00 0.00 54.91 54.11 3n2l h ALA 149 Cb 1.06 -0.08 -0.16 0.00 0.00 0.00 0.00 17.79 18.61 3n2l h ALA 149 CO 1.20 1.12 0.86 0.20 0.00 0.00 0.00 179.25 182.63 3n2l s GLY 150 N -4.69 -0.34 -0.04 0.00 0.00 -1.17 -3.70 107.32 97.38 3n2l s GLY 150 Ca 0.01 1.27 0.03 0.00 0.00 0.00 0.00 44.72 46.02 3n2l s GLY 150 CO 0.80 0.37 -0.11 0.14 0.00 0.00 0.00 173.10 174.30 3n2l s VAL 151 N -2.33 0.95 -0.11 1.40 1.01 -0.35 -0.62 120.40 120.35 3n2l s VAL 151 Ca 0.12 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.70 3n2l s VAL 151 Cb 0.02 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.55 3n2l s VAL 151 CO -0.04 0.30 -0.21 -0.22 0.00 0.00 0.00 175.10 174.92 3n2l s LEU 152 N 0.33 2.03 0.26 3.92 2.96 0.10 0.87 118.68 129.15 3n2l s LEU 152 Ca -0.07 -0.55 0.04 0.00 -0.22 0.00 0.00 54.13 53.34 3n2l s LEU 152 Cb -0.11 -1.35 -0.06 0.00 0.50 0.00 0.00 46.19 45.17 3n2l s LEU 152 CO 0.01 0.10 0.01 0.68 -1.32 0.00 0.00 176.35 175.84 3n2l s VAL 153 N 0.62 1.09 -0.02 1.68 -7.23 -0.35 -0.99 120.40 115.21 3n2l s VAL 153 Ca -0.13 -2.03 -0.22 0.00 -1.81 0.00 0.00 61.98 57.79 3n2l s VAL 153 Cb -0.17 -2.48 -0.23 0.00 0.56 0.00 0.00 36.38 34.06 3n2l s VAL 153 CO 0.03 -0.22 1.08 0.00 -0.31 0.00 0.00 175.10 175.68 3n2l h ALA 154 N 2.36 0.06 -3.44 1.32 0.00 -1.48 -2.36 119.26 115.74 3n2l h ALA 154 Ca -0.39 -0.51 -0.33 0.00 0.00 0.00 0.00 54.91 53.68 3n2l h ALA 154 Cb 1.23 0.02 -0.23 0.00 0.00 0.00 0.00 17.79 18.81 3n2l h ALA 154 CO 0.66 0.22 -0.75 -1.50 0.00 0.00 0.00 179.25 177.87 3n2l s ILE 155 N -3.23 0.70 -0.38 0.00 2.07 -1.26 -1.87 121.20 117.23 3n2l s ILE 155 Ca -0.14 -0.94 -0.01 0.00 -1.41 0.00 0.00 60.65 58.14 3n2l s ILE 155 Cb 0.02 -0.70 0.10 0.00 0.13 0.00 0.00 42.46 42.02 3n2l s ILE 155 CO 0.78 -0.20 0.14 -0.62 -1.91 0.00 0.00 174.94 173.13 3n2l s ASP 156 N -1.26 5.10 0.51 4.50 3.68 -0.58 -4.80 116.67 123.81 3n2l s ASP 156 Ca -0.05 -1.93 0.33 0.00 2.13 0.00 0.00 52.55 53.03 3n2l s ASP 156 Cb -0.08 -1.77 1.46 0.00 -1.45 0.00 0.00 42.92 41.07 3n2l s ASP 156 CO 0.01 -0.46 1.98 0.03 0.13 0.00 0.00 175.17 176.86 3n2l h ARG 157 N 7.95 0.00 -6.06 4.34 3.08 -1.93 -2.19 114.38 119.56 3n2l h ARG 157 Ca -0.12 0.00 -0.42 0.00 0.07 0.00 0.00 59.98 59.50 3n2l h ARG 157 Cb 1.04 0.00 0.05 0.00 0.08 0.00 0.00 29.97 31.15 3n2l h ARG 157 CO 0.63 0.00 -0.79 1.04 -1.07 0.00 0.00 179.97 179.79 3n2l n GLN 158 N -2.90 -5.65 -4.49 0.04 6.02 -1.26 -4.44 117.38 104.70 3n2l n GLN 158 Ca 0.00 0.67 -0.23 0.00 -0.01 0.00 0.00 57.00 57.43 3n2l n GLN 158 Cb 0.24 -5.43 -0.14 0.00 1.02 0.00 0.00 30.24 25.94 3n2l n GLN 158 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 3n2l s GLU 159 N -6.11 1.15 0.68 -1.09 -1.05 -1.26 -5.04 118.70 105.97 3n2l s GLU 159 Ca 0.25 -0.84 -0.17 0.00 -0.15 0.00 0.00 54.97 54.06 3n2l s GLU 159 Cb -0.12 -1.21 -0.06 0.00 -0.44 0.00 0.00 34.13 32.30 3n2l s GLU 159 CO 0.80 0.30 0.48 1.63 0.95 0.00 0.00 175.26 179.42 3n2l n LYS 160 N 1.88 0.35 0.00 -4.83 5.02 -1.26 -4.18 118.16 115.13 3n2l n LYS 160 Ca -0.18 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 3n2l n LYS 160 Cb 0.54 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 3n2l n LYS 160 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3n2l n GLY 161 N 1.76 3.22 0.31 0.72 0.00 -0.30 -4.84 105.19 106.05 3n2l n GLY 161 Ca 0.10 -1.97 0.22 0.00 0.00 0.00 0.00 46.02 44.38 3n2l n GLY 161 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3n2l n LYS 162 N 0.00 -0.06 -3.33 1.61 4.76 -1.26 -4.24 118.16 115.63 3n2l n LYS 162 Ca 0.00 1.33 0.02 0.00 -2.87 0.00 0.00 58.31 56.79 3n2l n LYS 162 Cb 0.00 -2.26 -0.03 0.00 -1.84 0.00 0.00 35.03 30.91 3n2l n LYS 162 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3n2l s GLY 163 N -4.36 -0.56 0.00 0.72 0.00 -1.26 -5.05 107.32 96.81 3n2l s GLY 163 Ca -0.10 2.51 0.00 0.00 0.00 0.00 0.00 44.72 47.13 3n2l s GLY 163 CO 0.72 3.36 0.00 1.18 0.00 0.00 0.00 173.10 178.36 3n2l n GLU 164 N 5.31 0.00 -4.20 2.90 1.02 -1.26 -4.93 120.64 119.48 3n2l n GLU 164 Ca -0.07 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.90 3n2l n GLU 164 Cb 0.52 -3.64 -0.15 0.00 -0.02 0.00 0.00 31.44 28.15 3n2l n GLU 164 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3n2l s LEU 165 N 0.00 1.84 0.89 -4.62 1.43 -1.26 -4.91 118.68 112.05 3n2l s LEU 165 Ca 0.00 -0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 52.87 3n2l s LEU 165 Cb 0.00 -0.35 0.13 0.00 0.03 0.00 0.00 46.19 46.00 3n2l s LEU 165 CO 0.00 0.04 1.11 -0.94 0.23 0.00 0.00 176.35 176.79 3n2l s SER 166 N 0.11 3.59 0.21 2.29 1.04 -1.26 -1.15 113.70 118.53 3n2l s SER 166 Ca -0.01 1.22 -0.10 0.00 0.48 0.00 0.00 55.95 57.54 3n2l s SER 166 Cb -0.05 -1.88 0.25 0.00 0.10 0.00 0.00 66.02 64.44 3n2l s SER 166 CO -0.00 -2.53 1.78 0.00 0.98 0.00 0.00 173.24 173.47 3n2l h ALA 167 N -1.48 0.83 -0.36 5.32 0.00 -1.89 -1.39 119.26 120.29 3n2l h ALA 167 Ca -0.50 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 3n2l h ALA 167 Cb 1.30 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 3n2l h ALA 167 CO 0.59 -0.07 0.15 0.82 0.00 0.00 0.00 179.25 180.74 3n2l h ILE 168 N 0.55 1.19 -0.33 0.00 2.04 -1.92 -2.50 117.51 116.53 3n2l h ILE 168 Ca 0.29 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 3n2l h ILE 168 Cb 0.27 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3n2l h ILE 168 CO -0.23 0.20 0.14 1.56 0.00 0.00 0.00 178.15 179.82 3n2l h GLN 169 N 0.43 0.45 -0.26 2.37 4.20 -1.82 -1.78 115.11 118.70 3n2l h GLN 169 Ca 0.12 -0.05 -0.15 0.00 0.06 0.00 0.00 58.65 58.63 3n2l h GLN 169 Cb 0.18 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 3n2l h GLN 169 CO -0.01 0.37 -0.44 1.49 -0.67 0.00 0.00 178.83 179.57 3n2l h GLU 170 N 0.46 0.65 -0.56 1.46 4.57 -1.03 -1.03 114.58 119.10 3n2l h GLU 170 Ca 0.12 -0.35 -0.07 0.00 -1.18 0.00 0.00 59.36 57.87 3n2l h GLU 170 Cb 0.08 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 3n2l h GLU 170 CO -0.01 0.96 0.08 0.28 -1.18 0.00 0.00 179.01 179.13 3n2l h VAL 171 N 0.52 1.26 -0.59 0.32 2.07 -1.01 0.11 116.25 118.92 3n2l h VAL 171 Ca 0.04 -1.00 -0.06 0.00 0.82 0.00 0.00 66.70 66.49 3n2l h VAL 171 Cb 0.97 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 3n2l h VAL 171 CO 0.09 0.36 0.12 -0.33 0.02 0.00 0.00 177.57 177.83 3n2l h GLU 172 N 0.83 0.96 -0.10 1.57 5.08 -1.19 -0.18 114.58 121.54 3n2l h GLU 172 Ca 0.17 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 3n2l h GLU 172 Cb 0.44 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 3n2l h GLU 172 CO 0.01 0.90 -0.10 -0.09 -1.00 0.00 0.00 179.01 178.74 3n2l h ARG 173 N 0.87 0.25 -0.06 2.33 1.12 -1.05 0.65 114.38 118.48 3n2l h ARG 173 Ca 0.18 -0.13 -0.16 0.00 -1.11 0.00 0.00 59.98 58.76 3n2l h ARG 173 Cb 0.39 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.34 3n2l h ARG 173 CO 0.01 0.66 -0.67 -0.44 -3.11 0.00 0.00 179.97 176.42 3n2l h ASP 174 N -0.16 0.30 0.00 -3.80 5.19 -0.67 -3.35 116.42 113.93 3n2l h ASP 174 Ca 0.02 -0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.24 3n2l h ASP 174 Cb 0.61 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.03 3n2l h ASP 174 CO 0.02 0.88 -0.54 0.49 -3.12 0.00 0.00 179.24 176.97 3n2l n PHE 175 N -3.83 0.00 -1.28 4.55 3.72 -0.09 -5.04 117.46 115.49 3n2l n PHE 175 Ca -0.03 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.32 3n2l n PHE 175 Cb 0.66 -0.03 -0.02 0.00 -0.94 0.00 0.00 39.48 39.15 3n2l n PHE 175 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3n2l n GLY 176 N 1.35 0.71 3.61 1.37 0.00 0.22 -4.92 105.19 107.53 3n2l n GLY 176 Ca 0.01 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 3n2l n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n2l s ALA 178 N -2.44 3.35 -0.21 0.00 0.00 -1.24 -4.35 121.76 116.87 3n2l s ALA 178 Ca 0.33 0.79 -0.10 0.00 0.00 0.00 0.00 51.96 52.97 3n2l s ALA 178 Cb -0.04 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 3n2l s ALA 178 CO 0.19 -0.28 0.15 0.08 0.00 0.00 0.00 175.76 175.90 3n2l s VAL 179 N 0.32 5.39 -0.04 0.00 1.01 -1.26 -1.21 120.40 124.60 3n2l s VAL 179 Ca 0.53 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.73 3n2l s VAL 179 Cb -0.28 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 3n2l s VAL 179 CO 0.32 0.41 -0.02 -0.63 0.00 0.00 0.00 175.10 175.18 3n2l s ILE 180 N 0.56 4.08 0.29 2.22 1.01 0.25 -4.94 121.20 124.68 3n2l s ILE 180 Ca 0.09 -0.46 0.06 0.00 0.00 0.00 0.00 60.65 60.33 3n2l s ILE 180 Cb -0.12 -2.75 -0.06 0.00 0.01 0.00 0.00 42.46 39.54 3n2l s ILE 180 CO 0.00 0.50 -0.02 -0.94 0.00 0.00 0.00 174.94 174.48 3n2l s SER 181 N -1.16 2.61 -0.09 3.58 1.04 -1.26 -1.21 113.70 117.21 3n2l s SER 181 Ca 0.16 -1.25 -0.25 0.00 0.48 0.00 0.00 55.95 55.09 3n2l s SER 181 Cb -0.11 -0.14 -0.21 0.00 0.10 0.00 0.00 66.02 65.65 3n2l s SER 181 CO 0.05 -0.43 0.91 0.40 0.98 0.00 0.00 173.24 175.15 3n2l h ILE 182 N 2.24 1.43 -4.39 -1.02 2.04 -0.80 -3.48 117.51 113.53 3n2l h ILE 182 Ca -0.40 -1.71 -0.22 0.00 1.00 0.00 0.00 64.86 63.53 3n2l h ILE 182 Cb 1.23 2.53 -0.15 0.00 -0.74 0.00 0.00 36.82 39.70 3n2l h ILE 182 CO 0.68 0.42 -0.64 0.68 0.00 0.00 0.00 178.15 179.29 3n2l s VAL 183 N -3.02 0.14 0.29 1.67 -7.23 -1.09 -4.80 120.40 106.37 3n2l s VAL 183 Ca -0.16 -1.95 0.02 0.00 -1.81 0.00 0.00 61.98 58.08 3n2l s VAL 183 Cb -0.01 -2.21 -0.01 0.00 0.56 0.00 0.00 36.38 34.72 3n2l s VAL 183 CO 0.62 -0.31 0.06 -1.54 -0.31 0.00 0.00 175.10 173.61 3n2l n SER 184 N -0.17 1.83 -0.08 4.85 3.41 -1.26 -1.53 113.62 120.67 3n2l n SER 184 Ca -0.03 -2.44 -0.06 0.00 -0.26 0.00 0.00 58.87 56.08 3n2l n SER 184 Cb 0.64 0.50 0.13 0.00 -0.26 0.00 0.00 64.21 65.23 3n2l n SER 184 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3n2l h LEU 185 N 0.00 0.74 -1.31 1.04 5.85 -1.61 -2.28 115.31 117.74 3n2l h LEU 185 Ca -0.24 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 3n2l h LEU 185 Cb 0.81 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 3n2l h LEU 185 CO 0.38 0.89 0.13 0.74 -0.34 0.00 0.00 178.44 180.24 3n2l h THR 186 N 0.68 1.17 -0.44 1.05 2.02 -1.91 -1.46 112.91 114.02 3n2l h THR 186 Ca 0.11 -0.59 -0.11 0.00 0.77 0.00 0.00 66.41 66.59 3n2l h THR 186 Cb 0.60 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 3n2l h THR 186 CO 0.04 0.22 -0.18 0.44 0.37 0.00 0.00 175.52 176.41 3n2l h ASP 187 N 0.59 0.87 -0.66 4.18 3.45 -1.83 0.97 116.42 123.98 3n2l h ASP 187 Ca 0.14 -0.30 -0.01 0.00 0.43 0.00 0.00 57.03 57.28 3n2l h ASP 187 Cb 0.18 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 38.68 3n2l h ASP 187 CO -0.01 1.04 0.36 -0.07 -1.57 0.00 0.00 179.24 178.99 3n2l h LEU 188 N 0.76 0.84 -0.24 1.55 3.38 -0.83 -0.93 115.31 119.83 3n2l h LEU 188 Ca 0.11 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3n2l h LEU 188 Cb 0.71 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3n2l h LEU 188 CO 0.05 0.70 0.03 0.40 0.09 0.00 0.00 178.44 179.72 3n2l h ILE 189 N 0.91 1.23 -0.91 1.22 2.04 -0.94 -2.06 117.51 119.01 3n2l h ILE 189 Ca 0.23 -0.78 0.05 0.00 1.00 0.00 0.00 64.86 65.36 3n2l h ILE 189 Cb 0.05 1.28 -0.06 0.00 -0.74 0.00 0.00 36.82 37.36 3n2l h ILE 189 CO -0.04 0.25 0.59 0.74 0.00 0.00 0.00 178.15 179.69 3n2l h THR 190 N 0.21 1.12 0.21 -0.27 2.02 -0.60 0.04 112.91 115.64 3n2l h THR 190 Ca 0.07 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 3n2l h THR 190 Cb 0.34 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.68 3n2l h THR 190 CO 0.01 0.20 -0.11 0.22 0.37 0.00 0.00 175.52 176.20 3n2l h TYR 191 N 1.09 -0.30 -0.32 3.16 3.20 -0.72 0.74 116.97 123.83 3n2l h TYR 191 Ca 0.37 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.24 3n2l h TYR 191 Cb 0.09 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 3n2l h TYR 191 CO -0.00 -0.18 0.20 -0.07 -1.64 0.00 0.00 178.16 176.47 3n2l h LEU 192 N -0.31 0.34 -0.70 2.82 3.38 -0.91 -2.53 115.31 117.40 3n2l h LEU 192 Ca -0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3n2l h LEU 192 Cb 0.25 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3n2l h LEU 192 CO 0.04 0.25 0.40 -0.33 0.09 0.00 0.00 178.44 178.89 3n2l h GLU 193 N 0.41 0.97 0.00 1.13 5.08 -0.81 -2.46 114.58 118.91 3n2l h GLU 193 Ca 0.12 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3n2l h GLU 193 Cb -0.03 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.02 3n2l h GLU 193 CO -0.03 0.71 0.00 1.96 -1.00 0.00 0.00 179.01 180.64 3n2l h GLN 194 N 0.96 0.00 -6.29 2.33 4.20 -0.72 -3.43 115.11 112.17 3n2l h GLN 194 Ca 0.25 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.42 3n2l h GLN 194 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3n2l h GLN 194 CO -0.04 0.00 1.19 -0.65 -0.67 0.00 0.00 178.83 178.65 3n2l s GLN 195 N -3.50 4.05 -0.69 1.46 -1.52 -0.93 -4.90 119.66 113.63 3n2l s GLN 195 Ca 0.03 2.32 -0.27 0.00 -1.95 0.00 0.00 55.36 55.49 3n2l s GLN 195 Cb 0.09 -4.10 0.03 0.00 -0.22 0.00 0.00 33.01 28.81 3n2l s GLN 195 CO 0.49 -1.03 1.25 0.20 -0.25 0.00 0.00 175.29 175.95 3n2l s GLY 196 N 4.29 0.97 0.00 3.09 0.00 -1.26 -4.80 107.32 109.61 3n2l s GLY 196 Ca 0.82 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 44.33 3n2l s GLY 196 CO 0.35 2.59 0.00 0.70 0.00 0.00 0.00 173.10 176.75 3n2l n ASN 197 N 9.06 0.00 0.44 1.64 4.13 -1.26 -4.84 115.26 124.43 3n2l n ASN 197 Ca 0.05 0.00 -0.18 0.00 1.68 0.00 0.00 54.58 56.12 3n2l n ASN 197 Cb 0.49 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.64 3n2l n ASN 197 CO 0.00 0.00 0.00 0.78 0.28 0.00 0.00 177.26 178.32 3n2l h ASN 198 N 0.00 -0.94 -0.70 6.41 2.35 -2.00 -3.03 115.58 117.67 3n2l h ASN 198 Ca 0.00 0.02 0.16 0.00 -0.55 0.00 0.00 56.30 55.94 3n2l h ASN 198 Cb 0.00 0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.57 3n2l h ASN 198 CO 0.00 -0.63 0.48 0.71 -1.65 0.00 0.00 177.43 176.34 3n2l h THR 199 N -1.18 0.75 0.67 2.81 1.35 -1.97 0.60 112.91 115.93 3n2l h THR 199 Ca -0.11 -0.08 -0.03 0.00 -0.55 0.00 0.00 66.41 65.63 3n2l h THR 199 Cb 0.86 0.48 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 3n2l h THR 199 CO 0.19 0.05 -0.34 -0.08 -0.25 0.00 0.00 175.52 175.08 3n2l h GLU 200 N 0.25 -0.89 -0.17 4.72 4.81 -1.90 -2.03 114.58 119.36 3n2l h GLU 200 Ca 0.34 0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.48 3n2l h GLU 200 Cb 0.99 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 3n2l h GLU 200 CO -0.08 -0.59 -0.53 0.45 -0.73 0.00 0.00 179.01 177.53 3n2l h HIS 201 N -0.92 0.60 -0.86 0.92 3.86 -1.07 -2.92 115.15 114.77 3n2l h HIS 201 Ca -0.09 -0.21 0.01 0.00 -1.16 0.00 0.00 60.37 58.93 3n2l h HIS 201 Cb 0.72 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 29.03 3n2l h HIS 201 CO -0.04 0.91 0.57 1.25 0.86 0.00 0.00 177.93 181.48 3n2l h LEU 202 N 0.38 0.98 -0.11 2.43 6.46 0.17 -0.04 115.31 125.58 3n2l h LEU 202 Ca 0.01 -0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 57.70 3n2l h LEU 202 Cb 1.05 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 40.74 3n2l h LEU 202 CO 0.10 0.71 -0.11 -0.33 -0.62 0.00 0.00 178.44 178.18 3n2l h GLU 203 N 1.16 0.27 -0.64 1.25 4.39 -1.34 -2.66 114.58 117.01 3n2l h GLU 203 Ca 0.32 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 3n2l h GLU 203 Cb -0.11 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 3n2l h GLU 203 CO -0.07 0.68 0.36 0.00 -1.16 0.00 0.00 179.01 178.81 3n2l h ALA 204 N 0.59 0.82 -0.32 3.43 0.00 -1.24 -0.94 119.26 121.59 3n2l h ALA 204 Ca 0.02 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3n2l h ALA 204 Cb 0.63 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3n2l h ALA 204 CO 0.03 0.33 -0.20 0.28 0.00 0.00 0.00 179.25 179.68 3n2l h VAL 205 N 0.87 1.26 -0.01 0.00 2.07 -1.07 -0.32 116.25 119.05 3n2l h VAL 205 Ca 0.23 -1.23 -0.14 0.00 0.82 0.00 0.00 66.70 66.38 3n2l h VAL 205 Cb 0.03 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 3n2l h VAL 205 CO -0.04 0.40 -0.65 0.11 0.02 0.00 0.00 177.57 177.41 3n2l h LYS 206 N 0.53 0.04 -0.27 1.57 1.57 -1.18 -0.29 116.57 118.54 3n2l h LYS 206 Ca 0.08 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 3n2l h LYS 206 Cb 0.64 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 3n2l h LYS 206 CO 0.05 0.68 0.03 0.00 -0.57 0.00 0.00 179.45 179.63 3n2l h ALA 207 N 1.31 0.36 -0.85 3.86 0.00 -0.67 0.28 119.26 123.56 3n2l h ALA 207 Ca -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3n2l h ALA 207 Cb 1.16 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 3n2l h ALA 207 CO 0.09 0.07 0.49 -0.92 0.00 0.00 0.00 179.25 178.97 3n2l h TYR 208 N 0.26 1.14 0.58 0.00 3.20 -1.01 -1.43 116.97 119.71 3n2l h TYR 208 Ca 0.08 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 3n2l h TYR 208 Cb 0.37 -0.37 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 3n2l h TYR 208 CO 0.03 0.77 -0.33 -0.09 -1.64 0.00 0.00 178.16 176.90 3n2l h ARG 209 N 1.17 -0.82 -0.47 1.82 2.43 -0.64 -0.05 114.38 117.82 3n2l h ARG 209 Ca 0.30 0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.62 3n2l h ARG 209 Cb -0.01 0.19 -0.10 0.00 -0.42 0.00 0.00 29.97 29.62 3n2l h ARG 209 CO -0.05 -0.54 -0.27 0.00 -1.51 0.00 0.00 179.97 177.59 3n2l h ALA 210 N -0.46 -0.00 -0.37 2.80 0.00 -0.12 2.92 119.26 124.02 3n2l h ALA 210 Ca -0.07 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3n2l h ALA 210 Cb 0.68 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 3n2l h ALA 210 CO 0.09 -0.63 0.10 0.37 0.00 0.00 0.00 179.25 179.18 3n2l h GLN 211 N -0.17 0.59 -0.03 0.00 4.15 -1.13 -3.33 115.11 115.19 3n2l h GLN 211 Ca 0.21 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.49 3n2l h GLN 211 Cb 0.51 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.12 3n2l h GLN 211 CO -0.57 0.62 0.00 0.66 -1.93 0.00 0.00 178.83 177.61 3n2l n TYR 212 N -4.60 0.07 -2.21 3.99 4.01 -0.04 -5.08 117.16 113.29 3n2l n TYR 212 Ca -0.01 -0.72 -0.41 0.00 -0.16 0.00 0.00 57.90 56.60 3n2l n TYR 212 Cb 0.19 -0.10 -0.03 0.00 -0.31 0.00 0.00 39.34 39.09 3n2l n TYR 212 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3n2l s GLY 213 N -1.82 2.87 0.00 2.72 0.00 0.97 -4.97 107.32 107.09 3n2l s GLY 213 Ca 0.16 1.15 0.00 0.00 0.00 0.00 0.00 44.72 46.04 3n2l s GLY 213 CO 0.02 1.87 0.00 1.39 0.00 0.00 0.00 173.10 176.39