#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 2.18 0.15 3.17 -0.14 -1.26 -4.84 119.74 118.99 3n2l s LYS 3 Ca 0.00 0.88 -0.23 0.00 -1.36 0.00 0.00 55.97 55.26 3n2l s LYS 3 Cb 0.00 -1.91 0.02 0.00 -1.68 0.00 0.00 37.83 34.26 3n2l s LYS 3 CO 0.00 -1.61 1.63 0.00 -0.76 0.00 0.00 175.35 174.61 3n2l h ALA 4 N -1.09 -0.15 -0.48 5.17 0.00 -2.04 -2.05 119.26 118.62 3n2l h ALA 4 Ca -0.46 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.54 3n2l h ALA 4 Cb 1.25 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 19.50 3n2l h ALA 4 CO 0.56 -0.67 0.32 0.10 0.00 0.00 0.00 179.25 179.55 3n2l h TYR 5 N -0.26 0.55 -0.24 0.00 -0.00 -1.98 0.10 116.97 115.14 3n2l h TYR 5 Ca 0.13 0.01 -0.04 0.00 0.00 0.00 0.00 58.73 58.83 3n2l h TYR 5 Cb 0.45 -0.18 -0.01 0.00 0.00 0.00 0.00 36.73 36.99 3n2l h TYR 5 CO -0.38 0.33 -0.01 1.96 -0.00 0.00 0.00 178.16 180.06 3n2l h GLN 6 N 0.58 0.43 -0.57 0.10 4.20 -1.71 0.46 115.11 118.60 3n2l h GLN 6 Ca 0.19 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 3n2l h GLN 6 Cb 0.04 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 3n2l h GLN 6 CO -0.04 0.62 0.13 -0.09 -0.67 0.00 0.00 178.83 178.77 3n2l h ARG 7 N 0.19 0.91 -0.35 1.46 2.43 -0.92 -2.20 114.38 115.90 3n2l h ARG 7 Ca 0.07 -0.22 -0.10 0.00 -0.81 0.00 0.00 59.98 58.91 3n2l h ARG 7 Cb 0.43 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3n2l h ARG 7 CO 0.01 0.85 -0.19 0.93 -1.51 0.00 0.00 179.97 180.07 3n2l h GLU 8 N 0.81 0.66 -0.45 0.20 5.08 -0.66 -2.00 114.58 118.23 3n2l h GLU 8 Ca 0.18 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3n2l h GLU 8 Cb 0.36 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3n2l h GLU 8 CO 0.00 0.81 0.21 0.35 -1.00 0.00 0.00 179.01 179.39 3n2l h PHE 9 N 0.59 0.66 -0.32 4.33 3.57 0.13 -0.35 116.94 125.55 3n2l h PHE 9 Ca 0.09 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3n2l h PHE 9 Cb 0.65 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 3n2l h PHE 9 CO 0.03 0.54 0.21 0.82 -2.23 0.00 0.00 178.31 177.68 3n2l h ILE 10 N 0.59 1.08 -0.88 1.41 2.04 -1.18 0.13 117.51 120.70 3n2l h ILE 10 Ca 0.15 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 65.92 3n2l h ILE 10 Cb 0.13 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 36.76 3n2l h ILE 10 CO -0.02 0.08 0.56 -0.33 0.00 0.00 0.00 178.15 178.44 3n2l h GLU 11 N 0.43 1.02 -0.30 2.37 5.08 -1.13 -1.18 114.58 120.87 3n2l h GLU 11 Ca 0.12 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3n2l h GLU 11 Cb -0.04 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 28.96 3n2l h GLU 11 CO -0.03 0.67 0.04 0.35 -1.00 0.00 0.00 179.01 179.05 3n2l h PHE 12 N 1.05 0.52 -0.90 4.33 3.57 -0.61 0.16 116.94 125.06 3n2l h PHE 12 Ca 0.37 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 3n2l h PHE 12 Cb 0.09 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.65 3n2l h PHE 12 CO -0.02 0.59 0.52 0.00 -2.23 0.00 0.00 178.31 177.16 3n2l h ALA 13 N 0.87 1.15 -0.12 2.41 0.00 -0.29 -1.66 119.26 121.63 3n2l h ALA 13 Ca 0.09 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3n2l h ALA 13 Cb 0.35 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3n2l h ALA 13 CO 0.01 0.63 -0.12 -0.07 0.00 0.00 0.00 179.25 179.69 3n2l h LEU 14 N 1.24 0.32 -1.30 0.00 3.38 -1.07 0.21 115.31 118.09 3n2l h LEU 14 Ca 0.32 -0.48 0.28 0.00 0.09 0.00 0.00 57.88 58.09 3n2l h LEU 14 Cb -0.02 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 40.54 3n2l h LEU 14 CO -0.06 0.73 0.67 -0.08 0.09 0.00 0.00 178.44 179.79 3n2l h GLU 15 N -0.09 0.39 -0.62 1.13 4.81 -0.43 -0.57 114.58 119.21 3n2l h GLU 15 Ca 0.02 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3n2l h GLU 15 Cb 0.64 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.93 3n2l h GLU 15 CO 0.03 0.26 0.00 1.63 -0.73 0.00 0.00 179.01 180.20 3n2l n LYS 16 N -4.68 2.81 -1.34 1.92 4.76 -0.64 -4.91 118.16 116.07 3n2l n LYS 16 Ca 0.27 -2.49 -0.12 0.00 -2.87 0.00 0.00 58.31 53.10 3n2l n LYS 16 Cb 0.90 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 32.55 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 1.28 -1.47 -0.17 1.97 1.13 -0.22 -4.81 117.38 115.09 3n2l n GLN 17 Ca 0.21 0.89 -0.11 0.00 -1.94 0.00 0.00 57.00 56.05 3n2l n GLN 17 Cb 0.57 -5.20 0.00 0.00 0.11 0.00 0.00 30.24 25.73 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 1.27 -3.35 5.09 2.07 -0.89 -3.42 116.25 117.02 3n2l h VAL 18 Ca -0.24 -1.30 -0.65 0.00 0.82 0.00 0.00 66.70 65.33 3n2l h VAL 18 Cb 1.09 1.04 -0.24 0.00 -1.52 0.00 0.00 31.29 31.67 3n2l h VAL 18 CO 0.35 0.46 -0.69 -0.22 0.02 0.00 0.00 177.57 177.48 3n2l s LEU 19 N -9.17 3.09 0.05 2.57 2.96 -0.54 -1.01 118.68 116.63 3n2l s LEU 19 Ca -0.12 -0.23 0.05 0.00 -0.22 0.00 0.00 54.13 53.62 3n2l s LEU 19 Cb 0.12 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 3n2l s LEU 19 CO 0.86 0.11 -0.15 -0.54 -1.32 0.00 0.00 176.35 175.32 3n2l s LYS 20 N 0.71 0.92 -0.08 1.98 1.02 -0.28 -4.19 119.74 119.82 3n2l s LYS 20 Ca -0.02 -0.84 0.03 0.00 0.02 0.00 0.00 55.97 55.16 3n2l s LYS 20 Cb -0.15 -0.95 -0.02 0.00 -0.52 0.00 0.00 37.83 36.20 3n2l s LYS 20 CO 0.02 0.23 -0.18 -0.06 -0.92 0.00 0.00 175.35 174.43 3n2l s PHE 21 N -0.99 2.63 0.00 3.18 0.08 -1.26 -0.91 117.98 120.71 3n2l s PHE 21 Ca 0.01 -0.58 0.00 0.00 0.12 0.00 0.00 56.93 56.48 3n2l s PHE 21 Cb -0.09 -1.69 0.00 0.00 -0.57 0.00 0.00 43.02 40.67 3n2l s PHE 21 CO 0.02 -0.12 0.00 0.41 -0.10 0.00 0.00 175.22 175.42 3n2l n GLY 22 N 3.00 -0.87 3.09 4.36 0.00 0.48 -5.00 105.19 110.24 3n2l n GLY 22 Ca -0.18 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 3n2l n GLY 22 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3n2l s GLU 23 N -0.60 2.47 -0.01 1.61 -1.05 -1.26 -4.19 118.70 115.67 3n2l s GLU 23 Ca 0.00 -0.65 -0.04 0.00 -0.15 0.00 0.00 54.97 54.13 3n2l s GLU 23 Cb 0.00 -2.08 0.00 0.00 -0.44 0.00 0.00 34.13 31.61 3n2l s GLU 23 CO 0.00 -0.07 0.09 -0.06 0.95 0.00 0.00 175.26 176.17 3n2l s PHE 24 N 1.00 0.01 -0.12 4.83 0.08 -0.11 -5.00 117.98 118.67 3n2l s PHE 24 Ca -0.05 -0.02 -0.04 0.00 0.12 0.00 0.00 56.93 56.94 3n2l s PHE 24 Cb -0.15 -0.03 -0.04 0.00 -0.57 0.00 0.00 43.02 42.23 3n2l s PHE 24 CO -0.03 -0.16 0.03 0.99 -0.10 0.00 0.00 175.22 175.95 3n2l s THR 25 N -0.72 4.56 0.00 0.64 2.01 -1.26 0.10 115.64 120.97 3n2l s THR 25 Ca -0.08 -0.14 0.00 0.00 0.31 0.00 0.00 61.69 61.78 3n2l s THR 25 Cb -0.05 -2.97 0.00 0.00 0.01 0.00 0.00 72.50 69.50 3n2l s THR 25 CO 0.00 0.57 0.13 0.18 -0.69 0.00 0.00 174.62 174.81 3n2l n LEU 26 N 2.54 0.82 0.00 4.42 4.77 -1.26 -4.94 117.00 123.36 3n2l n LEU 26 Ca -0.18 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 3n2l n LEU 26 Cb 0.53 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3n2l n LEU 26 CO 0.31 -0.34 0.00 0.54 -1.33 0.00 0.00 177.39 176.57 3n2l n ARG 30 N -1.51 0.00 -3.89 3.23 3.00 -1.26 -5.13 116.66 111.10 3n2l n ARG 30 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.85 57.48 3n2l n ARG 30 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.39 3n2l n ARG 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 3n2l s LYS 31 N 0.00 3.72 0.21 5.56 -2.85 -1.26 -5.09 119.74 120.04 3n2l s LYS 31 Ca 0.00 -0.21 0.04 0.00 -1.00 0.00 0.00 55.97 54.80 3n2l s LYS 31 Cb 0.00 -3.23 -0.03 0.00 -2.06 0.00 0.00 37.83 32.50 3n2l s LYS 31 CO 0.00 0.54 0.34 -1.12 0.10 0.00 0.00 175.35 175.21 3n2l s SER 32 N -0.36 6.33 0.35 0.03 0.01 0.28 -4.89 113.70 115.44 3n2l s SER 32 Ca 0.11 0.11 0.23 0.00 1.31 0.00 0.00 55.95 57.71 3n2l s SER 32 Cb -0.12 -1.88 0.28 0.00 0.21 0.00 0.00 66.02 64.51 3n2l s SER 32 CO 0.01 -0.04 1.46 1.55 0.41 0.00 0.00 173.24 176.63 3n2l h PRO 33 N 1.46 0.00 -4.92 12.44 0.13 -1.85 -0.26 132.00 139.00 3n2l h PRO 33 Ca -0.51 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.31 3n2l h PRO 33 Cb 1.22 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.17 3n2l h PRO 33 CO 0.63 0.00 -0.73 1.52 -0.23 0.00 0.00 178.00 179.19 3n2l s TYR 34 N -3.24 1.01 -0.00 1.56 1.13 -1.26 -0.39 117.35 116.15 3n2l s TYR 34 Ca 0.05 -0.64 0.03 0.00 -1.41 0.00 0.00 57.07 55.11 3n2l s TYR 34 Cb 0.07 -0.56 -0.01 0.00 -1.10 0.00 0.00 41.96 40.36 3n2l s TYR 34 CO 0.70 -0.02 -0.10 0.12 -2.51 0.00 0.00 175.55 173.74 3n2l s PHE 35 N -2.29 0.91 -0.04 -3.49 5.36 -0.09 -4.93 117.98 113.41 3n2l s PHE 35 Ca 0.03 -0.19 -0.02 0.00 -0.96 0.00 0.00 56.93 55.79 3n2l s PHE 35 Cb -0.04 -0.58 0.03 0.00 -0.34 0.00 0.00 43.02 42.09 3n2l s PHE 35 CO -0.00 -0.01 0.05 0.12 -1.46 0.00 0.00 175.22 173.92 3n2l s PHE 36 N -0.32 0.14 -0.33 10.12 5.36 -1.26 -1.12 117.98 130.57 3n2l s PHE 36 Ca 0.03 0.20 -0.01 0.00 -0.96 0.00 0.00 56.93 56.19 3n2l s PHE 36 Cb -0.04 -0.51 0.12 0.00 -0.34 0.00 0.00 43.02 42.25 3n2l s PHE 36 CO -0.00 -0.20 0.16 1.21 -1.46 0.00 0.00 175.22 174.92 3n2l s ASN 37 N 2.07 3.54 0.59 6.13 2.47 -0.18 -4.99 114.94 124.57 3n2l s ASN 37 Ca 0.04 -1.82 0.29 0.00 0.42 0.00 0.00 52.86 51.79 3n2l s ASN 37 Cb -0.12 -0.60 1.58 0.00 -1.45 0.00 0.00 41.25 40.65 3n2l s ASN 37 CO -0.03 -0.37 2.02 0.00 -3.72 0.00 0.00 177.10 174.99 3n2l h ALA 38 N 7.71 1.96 -1.05 1.71 0.00 -1.96 -1.73 119.26 125.89 3n2l h ALA 38 Ca -0.09 -0.01 0.34 0.00 0.00 0.00 0.00 54.91 55.15 3n2l h ALA 38 Cb 0.99 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.66 3n2l h ALA 38 CO 0.41 -0.46 0.62 0.78 0.00 0.00 0.00 179.25 180.59 3n2l h GLY 39 N 0.00 1.89 1.54 0.00 0.00 -1.96 0.13 103.07 104.67 3n2l h GLY 39 Ca 0.14 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3n2l h GLY 39 CO -0.00 -0.46 0.00 1.04 0.00 0.00 0.00 176.54 177.12 3n2l n LEU 40 N -4.97 0.00 -4.46 3.11 4.77 -0.65 -3.94 117.00 110.86 3n2l n LEU 40 Ca 0.32 0.27 -0.43 0.00 -0.03 0.00 0.00 56.01 56.14 3n2l n LEU 40 Cb 1.06 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 3n2l n LEU 40 CO 0.12 -0.19 1.98 0.49 -1.33 0.00 0.00 177.39 178.46 3n2l n PHE 41 N -1.27 4.56 -0.87 -1.77 3.72 0.46 -4.69 117.46 117.60 3n2l n PHE 41 Ca 0.05 -2.92 0.06 0.00 -0.05 0.00 0.00 57.45 54.59 3n2l n PHE 41 Cb 0.07 -2.56 0.09 0.00 -0.94 0.00 0.00 39.48 36.15 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 7.70 2.00 -4.67 4.37 0.23 -1.25 -4.64 115.26 118.99 3n2l n ASN 42 Ca 0.48 -2.66 -0.27 0.00 -0.53 0.00 0.00 54.58 51.59 3n2l n ASN 42 Cb 0.45 -0.29 -0.09 0.00 -2.08 0.00 0.00 39.78 37.76 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 -2.09 2.04 0.10 5.53 -4.23 -1.26 -5.03 115.64 110.70 3n2l s THR 43 Ca 0.20 -1.89 -0.15 0.00 -1.18 0.00 0.00 61.69 58.67 3n2l s THR 43 Cb 0.18 -2.93 -0.08 0.00 1.34 0.00 0.00 72.50 71.01 3n2l s THR 43 CO 0.02 0.00 1.43 1.23 -0.54 0.00 0.00 174.62 176.76 3n2l h GLY 44 N 1.61 0.74 1.45 3.99 0.00 -1.99 -1.33 103.07 107.54 3n2l h GLY 44 Ca -0.43 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.16 3n2l h GLY 44 CO 0.77 0.66 0.35 -0.09 0.00 0.00 0.00 176.54 178.22 3n2l h ARG 45 N 0.43 0.73 -0.28 4.80 2.43 -1.99 -1.41 114.38 119.09 3n2l h ARG 45 Ca 0.05 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3n2l h ARG 45 Cb 0.80 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 3n2l h ARG 45 CO 0.06 0.50 0.11 -0.44 -1.51 0.00 0.00 179.97 178.69 3n2l h ASP 46 N 0.75 0.38 -0.44 -3.80 5.19 -1.83 -1.49 116.42 115.18 3n2l h ASP 46 Ca 0.20 -0.17 -0.03 0.00 -0.62 0.00 0.00 57.03 56.41 3n2l h ASP 46 Cb -0.05 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.33 3n2l h ASP 46 CO -0.04 0.45 0.19 -0.07 -3.12 0.00 0.00 179.24 176.65 3n2l h LEU 47 N 0.29 0.64 0.14 1.55 3.38 -0.74 -0.74 115.31 119.83 3n2l h LEU 47 Ca 0.09 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3n2l h LEU 47 Cb 0.19 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3n2l h LEU 47 CO -0.01 0.58 -0.07 0.00 0.09 0.00 0.00 178.44 179.03 3n2l h ALA 48 N 1.52 -0.19 -0.78 1.53 0.00 -1.03 -1.01 119.26 119.30 3n2l h ALA 48 Ca 0.17 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3n2l h ALA 48 Cb 0.15 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3n2l h ALA 48 CO -0.02 -0.47 0.32 0.00 0.00 0.00 0.00 179.25 179.08 3n2l h ARG 49 N -0.46 1.15 -0.58 0.00 3.08 -1.20 -2.34 114.38 114.03 3n2l h ARG 49 Ca -0.02 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 59.79 3n2l h ARG 49 Cb 0.36 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3n2l h ARG 49 CO 0.03 0.92 0.20 1.25 -1.07 0.00 0.00 179.97 181.31 3n2l h LEU 50 N 1.13 0.83 -0.49 3.04 5.85 -0.89 -1.17 115.31 123.61 3n2l h LEU 50 Ca 0.26 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.83 3n2l h LEU 50 Cb 0.19 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 3n2l h LEU 50 CO -0.02 0.80 0.25 1.23 -0.34 0.00 0.00 178.44 180.36 3n2l h GLY 51 N 0.81 0.69 1.27 3.75 0.00 -1.01 -0.36 103.07 108.22 3n2l h GLY 51 Ca 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 3n2l h GLY 51 CO -0.01 0.12 0.39 3.21 0.00 0.00 0.00 176.54 180.26 3n2l h ARG 52 N 0.50 0.96 -0.16 4.80 3.08 -0.80 0.12 114.38 122.89 3n2l h ARG 52 Ca 0.21 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 3n2l h ARG 52 Cb 0.11 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 3n2l h ARG 52 CO -0.14 0.70 -0.05 0.74 -1.07 0.00 0.00 179.97 180.15 3n2l h PHE 53 N 0.97 0.35 -0.86 3.04 0.04 -0.58 -0.39 116.94 119.52 3n2l h PHE 53 Ca 0.25 -0.08 0.03 0.00 2.80 0.00 0.00 57.97 60.98 3n2l h PHE 53 Cb 0.01 -0.09 -0.05 0.00 2.20 0.00 0.00 35.95 38.02 3n2l h PHE 53 CO 0.01 0.59 0.55 1.88 -0.60 0.00 0.00 178.31 180.74 3n2l h TYR 54 N 0.01 1.03 -0.82 -0.55 -1.99 -0.60 -1.58 116.97 112.48 3n2l h TYR 54 Ca 0.04 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.79 3n2l h TYR 54 Cb 0.48 -0.34 -0.04 0.00 2.00 0.00 0.00 36.73 38.83 3n2l h TYR 54 CO 0.05 0.59 0.50 0.00 -0.00 0.00 0.00 178.16 179.30 3n2l h ALA 55 N 1.36 1.04 -0.33 3.88 0.00 -0.65 -0.33 119.26 124.24 3n2l h ALA 55 Ca 0.34 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 3n2l h ALA 55 Cb 0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3n2l h ALA 55 CO -0.12 0.50 -0.07 0.00 0.00 0.00 0.00 179.25 179.55 3n2l h ALA 56 N 1.27 1.27 -0.21 0.00 0.00 -0.17 -1.51 119.26 119.91 3n2l h ALA 56 Ca 0.29 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 3n2l h ALA 56 Cb -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3n2l h ALA 56 CO -0.06 0.49 -0.60 0.00 0.00 0.00 0.00 179.25 179.08 3n2l h ALA 57 N 1.42 0.35 -0.07 0.00 0.00 -0.87 -1.71 119.26 118.39 3n2l h ALA 57 Ca 0.10 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3n2l h ALA 57 Cb 0.44 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3n2l h ALA 57 CO 0.02 0.60 0.04 -0.07 0.00 0.00 0.00 179.25 179.84 3n2l h LEU 58 N 0.50 0.08 -0.80 0.00 3.38 -0.64 0.57 115.31 118.40 3n2l h LEU 58 Ca -0.02 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 3n2l h LEU 58 Cb 1.22 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 3n2l h LEU 58 CO 0.13 0.07 -0.08 0.58 0.09 0.00 0.00 178.44 179.23 3n2l h VAL 59 N 0.07 1.26 -0.59 1.22 2.07 -1.33 -2.78 116.25 116.17 3n2l h VAL 59 Ca 0.02 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.37 3n2l h VAL 59 Cb 0.01 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 3n2l h VAL 59 CO -0.00 0.40 0.26 -0.78 0.02 0.00 0.00 177.57 177.46 3n2l h ASP 60 N 0.75 0.80 -0.32 0.57 3.58 -1.03 -2.41 116.42 118.35 3n2l h ASP 60 Ca 0.13 -0.15 0.06 0.00 0.42 0.00 0.00 57.03 57.49 3n2l h ASP 60 Cb 0.57 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 3n2l h ASP 60 CO 0.03 0.73 0.22 0.77 -2.88 0.00 0.00 179.24 178.12 3n2l h SER 61 N 0.81 0.13 0.00 2.28 4.64 -0.62 -3.45 113.55 117.33 3n2l h SER 61 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3n2l h SER 61 Cb 0.17 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3n2l h SER 61 CO -0.02 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.63 3n2l n GLY 62 N -1.56 0.32 3.69 -0.77 0.00 -0.91 -4.96 105.19 101.01 3n2l n GLY 62 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.67 4.34 0.23 -0.61 1.01 -1.26 -4.99 121.20 118.25 3n2l s ILE 63 Ca 0.00 1.66 -0.23 0.00 0.00 0.00 0.00 60.65 62.08 3n2l s ILE 63 Cb 0.00 -4.07 -0.09 0.00 0.01 0.00 0.00 42.46 38.32 3n2l s ILE 63 CO 0.00 0.04 0.80 -0.70 0.00 0.00 0.00 174.94 175.08 3n2l s GLU 64 N 1.83 4.45 0.08 2.79 2.12 -1.26 -4.98 118.70 123.72 3n2l s GLU 64 Ca 0.55 1.09 -0.13 0.00 0.36 0.00 0.00 54.97 56.84 3n2l s GLU 64 Cb -0.24 -2.99 0.02 0.00 0.26 0.00 0.00 34.13 31.18 3n2l s GLU 64 CO 0.24 0.42 0.31 -0.59 -0.54 0.00 0.00 175.26 175.10 3n2l s PHE 65 N -1.42 -0.07 -0.06 5.30 -0.71 -1.26 -4.93 117.98 114.82 3n2l s PHE 65 Ca 0.42 -0.19 0.16 0.00 -1.04 0.00 0.00 56.93 56.29 3n2l s PHE 65 Cb -0.19 0.11 -0.24 0.00 -1.21 0.00 0.00 43.02 41.48 3n2l s PHE 65 CO 0.24 -0.58 0.27 -0.25 -1.34 0.00 0.00 175.22 173.56 3n2l n ASP 66 N 0.17 1.15 -3.81 1.98 8.00 0.74 -4.98 116.55 119.79 3n2l n ASP 66 Ca -0.17 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.20 3n2l n ASP 66 Cb 0.61 1.50 -0.13 0.00 -0.02 0.00 0.00 41.12 43.08 3n2l n ASP 66 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3n2l s VAL 67 N -2.93 -0.01 -0.27 2.53 1.01 -0.91 -4.17 120.40 115.65 3n2l s VAL 67 Ca -0.07 0.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.83 3n2l s VAL 67 Cb 0.09 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.23 3n2l s VAL 67 CO 0.68 0.02 0.27 -0.22 0.00 0.00 0.00 175.10 175.85 3n2l s LEU 68 N 0.31 4.05 -0.05 3.92 2.96 -0.33 -0.57 118.68 128.96 3n2l s LEU 68 Ca -0.02 0.15 0.06 0.00 -0.22 0.00 0.00 54.13 54.10 3n2l s LEU 68 Cb -0.03 -2.26 -0.01 0.00 0.50 0.00 0.00 46.19 44.39 3n2l s LEU 68 CO -0.01 -0.09 -0.24 0.12 -1.32 0.00 0.00 176.35 174.81 3n2l s PHE 69 N 1.75 2.34 -0.22 5.38 5.36 0.14 -1.21 117.98 131.52 3n2l s PHE 69 Ca 0.11 -0.68 0.02 0.00 -0.96 0.00 0.00 56.93 55.41 3n2l s PHE 69 Cb -0.15 -1.54 0.04 0.00 -0.34 0.00 0.00 43.02 41.03 3n2l s PHE 69 CO 0.09 -0.20 -0.15 0.20 -1.46 0.00 0.00 175.22 173.70 3n2l s GLY 70 N -0.16 1.49 0.33 13.12 0.00 -0.70 -1.00 107.32 120.39 3n2l s GLY 70 Ca -0.03 -1.45 -0.28 0.00 0.00 0.00 0.00 44.72 42.96 3n2l s GLY 70 CO 0.03 0.48 1.20 -4.14 0.00 0.00 0.00 173.10 170.67 3n2l s PRO 71 N 1.22 4.40 0.24 2.90 0.02 -1.26 -4.08 135.00 138.44 3n2l s PRO 71 Ca -0.02 1.98 -0.30 0.00 0.02 0.00 0.00 61.00 62.68 3n2l s PRO 71 Cb -0.16 -3.03 -0.10 0.00 0.02 0.00 0.00 34.50 31.23 3n2l s PRO 71 CO -0.09 -0.07 1.49 0.00 -0.33 0.00 0.00 177.00 178.01 3n2l s ALA 72 N -1.21 3.68 -0.18 -1.55 0.00 -1.26 -0.63 121.76 120.60 3n2l s ALA 72 Ca 0.49 1.38 0.03 0.00 0.00 0.00 0.00 51.96 53.86 3n2l s ALA 72 Cb -0.35 -3.58 -0.13 0.00 0.00 0.00 0.00 23.12 19.06 3n2l s ALA 72 CO 0.45 -0.79 -0.14 0.66 0.00 0.00 0.00 175.76 175.94 3n2l n TYR 73 N 2.61 0.00 0.30 0.00 4.02 -1.26 -4.79 117.16 118.04 3n2l n TYR 73 Ca 0.08 0.00 0.18 0.00 -0.01 0.00 0.00 57.90 58.15 3n2l n TYR 73 Cb 0.39 -0.73 0.84 0.00 -0.02 0.00 0.00 39.34 39.83 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 1.57 -1.97 -1.59 116.57 113.87 3n2l h LYS 74 Ca -0.42 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.35 3n2l h LYS 74 Cb 1.69 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.00 3n2l h LYS 74 CO -0.05 0.00 -0.04 0.78 -0.57 0.00 0.00 179.45 179.57 3n2l h GLY 75 N 0.99 0.00 0.69 3.86 0.00 -1.15 -3.36 103.07 104.10 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 0.00 0.00 -0.02 -2.22 0.00 0.00 0.00 176.54 174.30 3n2l h ILE 76 N 0.00 1.29 -0.16 2.60 2.04 -1.29 -0.65 117.51 121.34 3n2l h ILE 76 Ca -0.00 -0.92 -0.10 0.00 1.00 0.00 0.00 64.86 64.84 3n2l h ILE 76 Cb 0.97 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.81 3n2l h ILE 76 CO 0.00 0.25 -0.35 1.55 0.00 0.00 0.00 178.15 179.61 3n2l h PRO 77 N -0.21 0.33 0.07 2.37 0.13 -1.74 -1.97 132.00 130.97 3n2l h PRO 77 Ca 0.02 -0.14 -0.00 0.00 -0.87 0.00 0.00 66.00 65.00 3n2l h PRO 77 Cb 0.41 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.53 3n2l h PRO 77 CO 0.01 0.65 -0.03 0.82 -0.23 0.00 0.00 178.00 179.21 3n2l h ILE 78 N 0.29 1.05 -0.78 -3.56 1.08 -1.69 0.05 117.51 113.94 3n2l h ILE 78 Ca 0.03 -0.41 -0.03 0.00 -0.39 0.00 0.00 64.86 64.07 3n2l h ILE 78 Cb 0.76 1.32 -0.04 0.00 -3.07 0.00 0.00 36.82 35.79 3n2l h ILE 78 CO 0.06 0.10 0.38 0.00 -0.69 0.00 0.00 178.15 178.00 3n2l h ALA 79 N 0.65 1.19 0.41 1.87 0.00 -1.11 -0.47 119.26 121.79 3n2l h ALA 79 Ca -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3n2l h ALA 79 Cb 0.23 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3n2l h ALA 79 CO 0.01 0.62 -0.20 1.15 0.00 0.00 0.00 179.25 180.84 3n2l h THR 80 N 1.11 0.59 -0.33 0.00 2.02 -1.16 0.34 112.91 115.49 3n2l h THR 80 Ca 0.27 -0.22 -0.12 0.00 0.77 0.00 0.00 66.41 67.11 3n2l h THR 80 Cb 0.11 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 3n2l h THR 80 CO -0.03 0.04 -0.30 0.00 0.37 0.00 0.00 175.52 175.59 3n2l h THR 81 N -0.68 1.28 -0.61 3.16 1.03 -0.86 -0.95 112.91 115.27 3n2l h THR 81 Ca -0.06 -1.44 -0.04 0.00 -0.01 0.00 0.00 66.41 64.87 3n2l h THR 81 Cb 0.49 1.35 -0.03 0.00 -1.07 0.00 0.00 68.15 68.90 3n2l h THR 81 CO 0.09 0.47 0.23 0.74 -0.01 0.00 0.00 175.52 177.05 3n2l h THR 82 N 0.60 1.23 -0.64 0.00 2.02 -1.05 0.40 112.91 115.47 3n2l h THR 82 Ca 0.07 -0.75 -0.09 0.00 0.77 0.00 0.00 66.41 66.42 3n2l h THR 82 Cb 0.82 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 3n2l h THR 82 CO 0.07 0.29 0.07 0.00 0.37 0.00 0.00 175.52 176.32 3n2l h ALA 83 N 1.09 0.90 -0.79 6.16 0.00 -0.53 -1.30 119.26 124.79 3n2l h ALA 83 Ca 0.20 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3n2l h ALA 83 Cb 0.22 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3n2l h ALA 83 CO -0.01 0.67 0.52 0.28 0.00 0.00 0.00 179.25 180.70 3n2l h VAL 84 N 1.01 1.17 -0.26 0.00 2.07 -0.82 -2.14 116.25 117.28 3n2l h VAL 84 Ca 0.19 -0.36 -0.10 0.00 0.82 0.00 0.00 66.70 67.25 3n2l h VAL 84 Cb 0.48 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3n2l h VAL 84 CO 0.02 0.19 -0.28 0.00 0.02 0.00 0.00 177.57 177.52 3n2l h ALA 85 N 1.30 1.04 -0.40 1.67 0.00 -0.38 -1.14 119.26 121.36 3n2l h ALA 85 Ca 0.30 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3n2l h ALA 85 Cb -0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3n2l h ALA 85 CO -0.08 0.58 0.16 -0.07 0.00 0.00 0.00 179.25 179.84 3n2l h LEU 86 N 0.45 0.55 -0.14 0.00 3.38 -0.99 -0.56 115.31 117.99 3n2l h LEU 86 Ca 0.06 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3n2l h LEU 86 Cb 0.72 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 3n2l h LEU 86 CO 0.06 0.56 -0.04 0.00 0.09 0.00 0.00 178.44 179.11 3n2l h ALA 87 N 1.00 0.19 0.01 1.53 0.00 -0.65 -0.27 119.26 121.08 3n2l h ALA 87 Ca 0.13 -0.23 -0.22 0.00 0.00 0.00 0.00 54.91 54.59 3n2l h ALA 87 Cb 0.19 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3n2l h ALA 87 CO -0.01 -0.06 -1.03 -0.44 0.00 0.00 0.00 179.25 177.71 3n2l h ASP 88 N -0.04 0.02 0.00 0.00 3.32 -1.23 -3.16 116.42 115.33 3n2l h ASP 88 Ca 0.03 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3n2l h ASP 88 Cb 0.47 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3n2l h ASP 88 CO 0.01 1.02 -0.79 1.41 -1.72 0.00 0.00 179.24 179.18 3n2l n HIS 89 N -3.35 0.00 -0.19 4.55 8.25 -0.22 -4.60 115.22 119.65 3n2l n HIS 89 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3n2l n HIS 89 Cb 0.95 -0.08 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 -1.44 0.00 -4.20 4.41 8.25 -0.88 -5.00 115.22 116.37 3n2l n HIS 90 Ca 0.00 -0.20 -0.34 0.00 -0.26 0.00 0.00 57.72 56.92 3n2l n HIS 90 Cb 0.16 -0.02 -0.04 0.00 1.12 0.00 0.00 29.99 31.21 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 -0.20 -1.98 -4.13 0.41 2.03 -0.84 -4.95 116.55 106.88 3n2l n ASP 91 Ca 0.00 -1.06 -0.33 0.00 0.52 0.00 0.00 54.79 53.92 3n2l n ASP 91 Cb 0.18 -2.61 -0.16 0.00 -0.72 0.00 0.00 41.12 37.81 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 -3.57 2.24 -0.78 5.18 1.01 -0.17 -4.98 120.40 119.33 3n2l s VAL 92 Ca 0.49 -1.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.37 3n2l s VAL 92 Cb -0.27 -2.02 0.20 0.00 0.00 0.00 0.00 36.38 34.30 3n2l s VAL 92 CO 0.93 0.42 0.67 -0.62 0.00 0.00 0.00 175.10 176.51 3n2l s ASP 93 N 1.28 6.17 -0.03 3.32 2.15 -1.26 -1.66 116.67 126.64 3n2l s ASP 93 Ca 0.03 -2.90 -0.13 0.00 0.43 0.00 0.00 52.55 49.98 3n2l s ASP 93 Cb -0.14 -2.05 -0.05 0.00 -0.30 0.00 0.00 42.92 40.37 3n2l s ASP 93 CO -0.10 -0.45 0.35 0.28 -0.17 0.00 0.00 175.17 175.08 3n2l s THR 94 N -0.14 5.13 0.63 1.71 -1.32 -1.26 -5.06 115.64 115.33 3n2l s THR 94 Ca 0.19 0.71 -0.17 0.00 -1.21 0.00 0.00 61.69 61.21 3n2l s THR 94 Cb -0.14 -3.65 -0.01 0.00 -1.51 0.00 0.00 72.50 67.19 3n2l s THR 94 CO -0.07 0.58 1.19 -2.84 -2.21 0.00 0.00 174.62 171.27 3n2l s PRO 95 N -0.99 2.76 0.07 7.08 0.02 -1.26 -4.87 135.00 137.81 3n2l s PRO 95 Ca 0.22 1.75 0.01 0.00 0.02 0.00 0.00 61.00 62.99 3n2l s PRO 95 Cb -0.16 -1.91 -0.04 0.00 0.02 0.00 0.00 34.50 32.42 3n2l s PRO 95 CO 0.11 -1.35 -0.05 1.52 -0.33 0.00 0.00 177.00 176.90 3n2l s TYR 96 N -1.79 0.69 0.22 6.54 1.13 -1.26 -1.19 117.35 121.69 3n2l s TYR 96 Ca 0.75 -0.90 -0.22 0.00 -1.41 0.00 0.00 57.07 55.29 3n2l s TYR 96 Cb -0.29 -0.44 0.04 0.00 -1.10 0.00 0.00 41.96 40.18 3n2l s TYR 96 CO 0.37 -0.23 0.73 0.00 -2.51 0.00 0.00 175.55 173.91 3n2l s PHE 98 N -3.75 -0.03 0.31 0.00 -0.12 -0.89 -1.72 117.98 111.77 3n2l s PHE 98 Ca 0.08 -0.31 0.07 0.00 -0.05 0.00 0.00 56.93 56.72 3n2l s PHE 98 Cb -0.04 0.26 -0.02 0.00 -0.63 0.00 0.00 43.02 42.59 3n2l s PHE 98 CO 0.00 -0.82 0.34 0.54 -0.05 0.00 0.00 175.22 175.24 3n2l s ASN 99 N -2.87 5.69 0.20 1.98 4.22 -1.26 -0.15 114.94 122.74 3n2l s ASN 99 Ca 0.09 -0.28 0.05 0.00 -2.14 0.00 0.00 52.86 50.58 3n2l s ASN 99 Cb 0.01 -1.25 -0.03 0.00 1.28 0.00 0.00 41.25 41.25 3n2l s ASN 99 CO -0.05 -0.28 0.27 -0.13 -2.04 0.00 0.00 177.10 174.87 3n2l s ARG 100 N -4.02 3.26 -1.39 3.55 0.52 -1.26 -4.35 118.95 115.26 3n2l s ARG 100 Ca 0.40 -0.79 -0.07 0.00 -0.52 0.00 0.00 55.73 54.75 3n2l s ARG 100 Cb -0.08 -2.81 0.08 0.00 0.52 0.00 0.00 34.95 32.66 3n2l s ARG 100 CO 0.28 0.46 2.44 1.63 0.02 0.00 0.00 175.30 180.13 3n2l n LYS 101 N -0.95 4.20 0.00 3.54 4.76 -1.26 -4.93 118.16 123.52 3n2l n LYS 101 Ca -0.08 -3.15 0.00 0.00 -2.87 0.00 0.00 58.31 52.21 3n2l n LYS 101 Cb 0.56 -2.74 0.00 0.00 -1.84 0.00 0.00 35.03 31.01 3n2l n LYS 101 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3n2l n ASN 111 N 2.60 0.00 -4.00 4.39 2.85 -1.26 -5.24 115.26 114.61 3n2l n ASN 111 Ca 0.63 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.98 3n2l n ASN 111 Cb 0.26 0.65 -0.12 0.00 1.24 0.00 0.00 39.78 41.81 3n2l n ASN 111 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3n2l s LEU 112 N -2.29 2.18 -0.05 1.20 1.43 -1.26 -4.32 118.68 115.57 3n2l s LEU 112 Ca 0.00 -0.39 0.06 0.00 -1.03 0.00 0.00 54.13 52.78 3n2l s LEU 112 Cb 0.00 -0.09 -0.01 0.00 0.03 0.00 0.00 46.19 46.12 3n2l s LEU 112 CO 0.00 -0.16 -0.24 -0.69 0.23 0.00 0.00 176.35 175.49 3n2l s VAL 113 N -1.00 1.99 0.00 -1.59 1.01 0.78 -4.96 120.40 116.63 3n2l s VAL 113 Ca -0.08 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 60.86 3n2l s VAL 113 Cb -0.07 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.63 3n2l s VAL 113 CO -0.00 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.26 3n2l n GLY 114 N 2.85 1.05 3.90 4.51 0.00 -1.26 -2.10 105.19 114.13 3n2l n GLY 114 Ca -0.17 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.51 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 6.47 0.41 1.61 0.15 -0.52 -5.02 113.70 112.81 3n2l s SER 115 Ca 0.00 0.73 -0.26 0.00 0.70 0.00 0.00 55.95 57.12 3n2l s SER 115 Cb 0.00 -2.15 -0.09 0.00 -1.71 0.00 0.00 66.02 62.07 3n2l s SER 115 CO 0.00 -0.16 1.34 -0.54 1.20 0.00 0.00 173.24 175.08 3n2l s LYS 116 N -3.39 3.92 -1.18 5.44 1.02 -1.26 -4.65 119.74 119.63 3n2l s LYS 116 Ca 0.44 2.24 -0.20 0.00 0.02 0.00 0.00 55.97 58.47 3n2l s LYS 116 Cb -0.11 -2.75 0.06 0.00 -0.52 0.00 0.00 37.83 34.50 3n2l s LYS 116 CO 0.28 -0.56 1.63 -0.51 -0.92 0.00 0.00 175.35 175.27 3n2l s LEU 117 N -2.46 3.67 0.01 3.17 1.43 -1.26 -4.94 118.68 118.30 3n2l s LEU 117 Ca 0.57 -2.00 0.05 0.00 -1.03 0.00 0.00 54.13 51.72 3n2l s LEU 117 Cb -0.40 -2.58 -0.01 0.00 0.03 0.00 0.00 46.19 43.23 3n2l s LEU 117 CO 0.52 -1.37 -0.14 -0.70 0.23 0.00 0.00 176.35 174.88 3n2l s GLU 118 N 4.63 1.08 3.41 1.70 2.12 -1.26 -4.60 118.70 125.78 3n2l s GLU 118 Ca 0.51 -0.60 0.00 0.00 0.36 0.00 0.00 54.97 55.25 3n2l s GLU 118 Cb 0.02 -1.07 0.00 0.00 0.26 0.00 0.00 34.13 33.35 3n2l s GLU 118 CO 0.01 0.28 0.00 0.41 -0.54 0.00 0.00 175.26 175.42 3n2l n GLY 119 N 2.44 -0.03 3.67 -1.50 0.00 -1.26 -4.60 105.19 103.91 3n2l n GLY 119 Ca -0.15 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.42 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 4.33 -0.22 1.61 0.52 -1.26 -1.14 118.95 122.79 3n2l s ARG 120 Ca 0.00 1.37 -0.07 0.00 -0.52 0.00 0.00 55.73 56.51 3n2l s ARG 120 Cb 0.00 -3.60 -0.03 0.00 0.52 0.00 0.00 34.95 31.85 3n2l s ARG 120 CO 0.00 -0.49 0.05 0.08 0.02 0.00 0.00 175.30 174.96 3n2l s VAL 121 N 2.66 4.26 -0.30 3.52 1.01 0.82 -0.19 120.40 132.19 3n2l s VAL 121 Ca 0.46 -0.20 -0.12 0.00 0.00 0.00 0.00 61.98 62.12 3n2l s VAL 121 Cb -0.16 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 3n2l s VAL 121 CO 0.11 0.38 0.23 -0.32 0.00 0.00 0.00 175.10 175.50 3n2l s MET 122 N 1.24 3.83 -0.20 2.72 1.75 0.27 -0.39 119.30 128.52 3n2l s MET 122 Ca 0.04 -0.37 -0.13 0.00 -1.25 0.00 0.00 55.69 53.98 3n2l s MET 122 Cb -0.15 -3.70 -0.05 0.00 2.84 0.00 0.00 34.83 33.78 3n2l s MET 122 CO 0.03 -0.27 0.27 -1.17 -0.65 0.00 0.00 175.02 173.23 3n2l s LEU 123 N 1.79 4.18 -0.06 4.11 0.20 -0.49 0.25 118.68 128.66 3n2l s LEU 123 Ca 0.08 0.37 0.05 0.00 0.69 0.00 0.00 54.13 55.31 3n2l s LEU 123 Cb -0.16 -2.31 -0.02 0.00 -0.43 0.00 0.00 46.19 43.27 3n2l s LEU 123 CO 0.11 0.05 -0.20 0.68 -0.29 0.00 0.00 176.35 176.70 3n2l s VAL 124 N 0.86 2.56 0.34 1.68 -7.23 -0.17 -0.98 120.40 117.46 3n2l s VAL 124 Ca 0.14 -0.89 -0.03 0.00 -1.81 0.00 0.00 61.98 59.39 3n2l s VAL 124 Cb -0.13 -1.98 0.00 0.00 0.56 0.00 0.00 36.38 34.83 3n2l s VAL 124 CO 0.04 0.57 0.47 -0.62 -0.31 0.00 0.00 175.10 175.26 3n2l s ASP 125 N -0.34 0.85 -0.09 4.85 3.68 0.03 -4.21 116.67 121.43 3n2l s ASP 125 Ca 0.02 -1.46 -0.24 0.00 2.13 0.00 0.00 52.55 53.01 3n2l s ASP 125 Cb -0.12 0.66 -0.20 0.00 -1.45 0.00 0.00 42.92 41.80 3n2l s ASP 125 CO 0.02 -1.29 0.83 -2.24 0.13 0.00 0.00 175.17 172.62 3n2l h ASP 126 N 2.12 -0.04 -5.00 -0.34 2.03 -1.84 -3.32 116.42 110.03 3n2l h ASP 126 Ca -0.28 -0.66 -0.05 0.00 -0.73 0.00 0.00 57.03 55.31 3n2l h ASP 126 Cb 1.24 0.01 -0.17 0.00 -0.83 0.00 0.00 39.33 39.58 3n2l h ASP 126 CO 0.39 0.71 0.17 0.54 -1.03 0.00 0.00 179.24 180.02 3n2l s VAL 127 N -2.85 0.00 -0.42 4.15 0.11 -1.26 -1.30 120.40 118.84 3n2l s VAL 127 Ca -0.15 -0.03 -0.23 0.00 -2.93 0.00 0.00 61.98 58.64 3n2l s VAL 127 Cb -0.01 -0.99 0.02 0.00 -1.53 0.00 0.00 36.38 33.87 3n2l s VAL 127 CO 0.58 -0.02 0.76 -0.63 -3.33 0.00 0.00 175.10 172.46 3n2l s ILE 128 N -1.99 4.70 -0.21 7.04 1.01 -1.26 -5.05 121.20 125.44 3n2l s ILE 128 Ca -0.07 0.54 -0.16 0.00 0.00 0.00 0.00 60.65 60.96 3n2l s ILE 128 Cb -0.00 -4.26 -0.10 0.00 0.01 0.00 0.00 42.46 38.10 3n2l s ILE 128 CO 0.03 -0.60 -0.20 1.07 0.00 0.00 0.00 174.94 175.24 3n2l n THR 129 N 5.98 1.50 0.00 2.92 5.66 -1.26 -4.79 114.28 124.29 3n2l n THR 129 Ca 0.02 -0.04 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 3n2l n THR 129 Cb 0.48 -2.15 0.00 0.00 -1.55 0.00 0.00 70.33 67.11 3n2l n THR 129 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 3n2l n ILE 134 N -4.42 0.00 -0.34 1.09 5.41 -1.26 -4.78 119.36 115.06 3n2l n ILE 134 Ca -0.29 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.50 3n2l n ILE 134 Cb 0.62 0.00 0.19 0.00 -0.71 0.00 0.00 39.64 39.74 3n2l n ILE 134 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 3n2l h ARG 135 N 0.00 0.95 -0.34 0.38 2.43 -2.03 0.12 114.38 115.89 3n2l h ARG 135 Ca 0.00 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.18 3n2l h ARG 135 Cb 0.00 -0.21 -0.06 0.00 -0.42 0.00 0.00 29.97 29.28 3n2l h ARG 135 CO 0.00 0.63 -0.03 0.93 -1.51 0.00 0.00 179.97 179.99 3n2l h GLU 136 N 0.97 0.06 -0.60 0.20 5.08 -2.01 -0.23 114.58 118.06 3n2l h GLU 136 Ca 0.44 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.70 3n2l h GLU 136 Cb 0.35 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3n2l h GLU 136 CO -0.23 0.04 0.01 0.66 -1.00 0.00 0.00 179.01 178.49 3n2l h SER 137 N 0.07 1.03 -0.73 1.42 4.64 -1.53 -2.37 113.55 116.07 3n2l h SER 137 Ca 0.17 -0.28 0.02 0.00 -0.47 0.00 0.00 61.79 61.22 3n2l h SER 137 Cb 0.24 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 62.01 3n2l h SER 137 CO -0.30 1.07 0.47 0.24 -0.87 0.00 0.00 176.83 177.44 3n2l h MET 138 N 0.96 0.91 -0.23 4.77 2.86 -0.31 -2.39 114.93 121.50 3n2l h MET 138 Ca 0.17 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.70 3n2l h MET 138 Cb 0.54 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 3n2l h MET 138 CO 0.03 0.60 -0.13 0.93 1.06 0.00 0.00 176.91 179.40 3n2l h GLU 139 N 0.93 0.37 -0.39 1.72 5.08 -0.72 -0.55 114.58 121.03 3n2l h GLU 139 Ca 0.29 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.46 3n2l h GLU 139 Cb -0.03 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3n2l h GLU 139 CO -0.09 0.51 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.24 3n2l h LEU 140 N 0.35 0.67 0.16 1.33 3.38 -0.99 0.55 115.31 120.75 3n2l h LEU 140 Ca 0.07 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3n2l h LEU 140 Cb 0.44 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3n2l h LEU 140 CO 0.03 0.81 -0.08 0.40 0.09 0.00 0.00 178.44 179.69 3n2l h ILE 141 N 0.62 0.93 -0.48 1.22 2.04 -0.80 -0.79 117.51 120.25 3n2l h ILE 141 Ca 0.11 -0.43 -0.10 0.00 1.00 0.00 0.00 64.86 65.44 3n2l h ILE 141 Cb 0.56 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 3n2l h ILE 141 CO 0.03 0.10 -0.09 1.56 0.00 0.00 0.00 178.15 179.75 3n2l h GLN 142 N -0.43 0.92 -0.98 2.37 1.08 -1.04 -0.27 115.11 116.76 3n2l h GLN 142 Ca -0.02 -0.34 0.07 0.00 -1.45 0.00 0.00 58.65 56.91 3n2l h GLN 142 Cb 0.33 -0.06 -0.07 0.00 -0.05 0.00 0.00 27.48 27.64 3n2l h GLN 142 CO 0.04 0.99 0.63 0.00 -0.95 0.00 0.00 178.83 179.54 3n2l h ALA 143 N 0.90 1.45 -0.03 3.87 0.00 0.18 0.20 119.26 125.83 3n2l h ALA 143 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3n2l h ALA 143 Cb 0.64 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3n2l h ALA 143 CO 0.04 0.40 0.00 0.09 0.00 0.00 0.00 179.25 179.78 3n2l n ASN 144 N -4.51 0.36 -1.29 0.00 3.02 -0.31 -4.89 115.26 107.64 3n2l n ASN 144 Ca 0.15 -1.46 -0.15 0.00 -0.03 0.00 0.00 54.58 53.10 3n2l n ASN 144 Cb 0.21 -0.02 -0.05 0.00 -0.61 0.00 0.00 39.78 39.31 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 -0.56 -1.08 -2.23 3.52 5.02 0.06 -4.91 118.16 117.98 3n2l n LYS 145 Ca 0.15 0.94 -0.27 0.00 -2.02 0.00 0.00 58.31 57.11 3n2l n LYS 145 Cb 0.12 -5.13 0.16 0.00 -0.02 0.00 0.00 35.03 30.17 3n2l n LYS 145 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3n2l s ALA 146 N -2.60 2.86 -0.11 7.82 0.00 -0.22 -4.86 121.76 124.64 3n2l s ALA 146 Ca 0.00 -1.52 0.02 0.00 0.00 0.00 0.00 51.96 50.46 3n2l s ALA 146 Cb 0.00 -2.40 -0.01 0.00 0.00 0.00 0.00 23.12 20.70 3n2l s ALA 146 CO 0.00 -2.10 -0.17 0.34 0.00 0.00 0.00 175.76 173.82 3n2l s ASP 147 N -4.87 3.67 -0.23 0.00 -1.08 -0.29 -4.57 116.67 109.30 3n2l s ASP 147 Ca 0.72 -0.40 -0.29 0.00 -0.52 0.00 0.00 52.55 52.06 3n2l s ASP 147 Cb -0.04 -1.41 -0.01 0.00 -1.46 0.00 0.00 42.92 40.00 3n2l s ASP 147 CO 0.50 0.19 1.27 -0.22 0.52 0.00 0.00 175.17 177.43 3n2l s LEU 148 N 0.20 4.05 0.02 -1.34 2.96 -1.26 -0.13 118.68 123.18 3n2l s LEU 148 Ca -0.10 1.47 0.22 0.00 -0.22 0.00 0.00 54.13 55.50 3n2l s LEU 148 Cb -0.16 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.76 3n2l s LEU 148 CO 0.06 -0.90 0.66 0.00 -1.32 0.00 0.00 176.35 174.86 3n2l n ALA 149 N 7.04 2.98 0.00 5.97 0.00 0.48 -4.83 120.51 132.14 3n2l n ALA 149 Ca 0.14 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3n2l n ALA 149 Cb 0.46 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3n2l n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n2l n GLY 150 N 1.28 2.26 2.87 0.00 0.00 -1.22 -4.73 105.19 105.64 3n2l n GLY 150 Ca -0.02 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 44.84 3n2l n GLY 150 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n2l s VAL 151 N -2.00 0.62 -0.13 1.61 1.01 -0.98 -1.39 120.40 119.13 3n2l s VAL 151 Ca 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.88 3n2l s VAL 151 Cb 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 35.70 3n2l s VAL 151 CO 0.00 0.27 -0.16 -0.22 0.00 0.00 0.00 175.10 174.98 3n2l s LEU 152 N 1.34 2.47 0.22 3.92 2.96 -0.15 0.15 118.68 129.59 3n2l s LEU 152 Ca -0.04 -0.44 0.07 0.00 -0.22 0.00 0.00 54.13 53.50 3n2l s LEU 152 Cb -0.14 -1.54 -0.05 0.00 0.50 0.00 0.00 46.19 44.96 3n2l s LEU 152 CO -0.03 0.13 -0.12 0.68 -1.32 0.00 0.00 176.35 175.70 3n2l s VAL 153 N 0.56 1.67 0.16 1.68 -7.23 -0.86 -0.79 120.40 115.59 3n2l s VAL 153 Ca -0.10 -2.18 -0.11 0.00 -1.81 0.00 0.00 61.98 57.78 3n2l s VAL 153 Cb -0.16 -2.16 0.01 0.00 0.56 0.00 0.00 36.38 34.64 3n2l s VAL 153 CO 0.04 -0.51 1.57 0.00 -0.31 0.00 0.00 175.10 175.89 3n2l h ALA 154 N 2.49 0.69 -3.21 1.32 0.00 -1.29 -2.14 119.26 117.12 3n2l h ALA 154 Ca -0.38 -0.35 -0.18 0.00 0.00 0.00 0.00 54.91 53.99 3n2l h ALA 154 Cb 1.22 -0.18 -0.25 0.00 0.00 0.00 0.00 17.79 18.59 3n2l h ALA 154 CO 0.63 0.61 -0.53 -1.50 0.00 0.00 0.00 179.25 178.46 3n2l s ILE 155 N -4.80 0.02 -0.32 0.00 2.07 -1.25 -2.10 121.20 114.81 3n2l s ILE 155 Ca -0.12 -0.18 -0.04 0.00 -1.41 0.00 0.00 60.65 58.90 3n2l s ILE 155 Cb 0.12 -0.27 0.05 0.00 0.13 0.00 0.00 42.46 42.49 3n2l s ILE 155 CO 0.86 -0.10 0.06 -0.62 -1.91 0.00 0.00 174.94 173.22 3n2l s ASP 156 N -0.30 5.09 0.57 4.50 3.68 -0.95 -4.80 116.67 124.47 3n2l s ASP 156 Ca -0.04 -1.28 0.35 0.00 2.13 0.00 0.00 52.55 53.71 3n2l s ASP 156 Cb -0.03 -1.78 1.56 0.00 -1.45 0.00 0.00 42.92 41.22 3n2l s ASP 156 CO 0.01 -0.31 2.06 0.03 0.13 0.00 0.00 175.17 177.08 3n2l h ARG 157 N 8.09 0.00 -6.01 4.34 3.08 -1.95 -1.99 114.38 119.93 3n2l h ARG 157 Ca -0.21 0.00 -0.40 0.00 0.07 0.00 0.00 59.98 59.43 3n2l h ARG 157 Cb 1.07 0.00 0.07 0.00 0.08 0.00 0.00 29.97 31.19 3n2l h ARG 157 CO 0.57 0.02 -0.81 1.04 -1.07 0.00 0.00 179.97 179.72 3n2l n GLN 158 N -3.13 -5.43 -4.78 0.04 6.02 -1.26 -4.50 117.38 104.34 3n2l n GLN 158 Ca -0.00 0.67 -0.29 0.00 -0.01 0.00 0.00 57.00 57.37 3n2l n GLN 158 Cb 0.26 -5.37 -0.14 0.00 1.02 0.00 0.00 30.24 26.01 3n2l n GLN 158 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3n2l s GLU 159 N -5.92 1.65 0.51 -1.09 2.02 -1.26 -5.05 118.70 109.56 3n2l s GLU 159 Ca 0.08 -1.10 -0.05 0.00 0.02 0.00 0.00 54.97 53.92 3n2l s GLU 159 Cb -0.04 -1.85 -0.02 0.00 0.10 0.00 0.00 34.13 32.32 3n2l s GLU 159 CO 0.79 0.47 0.81 0.15 0.02 0.00 0.00 175.26 177.51 3n2l s LYS 160 N -1.33 3.31 0.57 1.61 1.02 -1.26 -4.54 119.74 119.11 3n2l s LYS 160 Ca 0.11 0.08 -0.13 0.00 0.02 0.00 0.00 55.97 56.04 3n2l s LYS 160 Cb -0.10 -2.36 -0.06 0.00 -0.52 0.00 0.00 37.83 34.80 3n2l s LYS 160 CO 0.02 -0.37 1.00 -0.48 -0.92 0.00 0.00 175.35 174.61 3n2l s LEU 165 N -4.80 3.43 1.08 3.17 0.05 -1.26 -5.00 118.68 115.34 3n2l s LEU 165 Ca 0.49 1.47 -0.21 0.00 0.05 0.00 0.00 54.13 55.94 3n2l s LEU 165 Cb -0.10 -4.47 0.02 0.00 -2.05 0.00 0.00 46.19 39.59 3n2l s LEU 165 CO 0.44 -0.73 -0.39 -1.54 -0.55 0.00 0.00 176.35 173.59 3n2l n SER 166 N -2.19 -2.64 0.18 1.48 3.41 -1.26 -4.73 113.62 107.87 3n2l n SER 166 Ca 0.06 -0.05 0.02 0.00 -0.26 0.00 0.00 58.87 58.64 3n2l n SER 166 Cb 0.54 -0.85 0.35 0.00 -0.26 0.00 0.00 64.21 63.98 3n2l n SER 166 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3n2l h ALA 167 N -1.73 1.36 -0.15 7.33 0.00 -1.89 -2.53 119.26 121.66 3n2l h ALA 167 Ca -0.49 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 53.90 3n2l h ALA 167 Cb 1.36 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.10 3n2l h ALA 167 CO 0.33 0.48 -0.56 0.82 0.00 0.00 0.00 179.25 180.32 3n2l h ILE 168 N 0.01 1.33 0.00 0.00 2.04 -1.90 -2.21 117.51 116.78 3n2l h ILE 168 Ca -0.00 -1.82 -0.07 0.00 1.00 0.00 0.00 64.86 63.97 3n2l h ILE 168 Cb 0.68 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 3n2l h ILE 168 CO 0.05 0.56 -0.32 1.56 0.00 0.00 0.00 178.15 180.00 3n2l h GLN 169 N 0.31 0.00 -0.26 2.37 4.20 -1.89 -2.17 115.11 117.67 3n2l h GLN 169 Ca -0.03 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.53 3n2l h GLN 169 Cb 1.19 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.97 3n2l h GLN 169 CO 0.12 0.32 -0.44 1.49 -0.67 0.00 0.00 178.83 179.65 3n2l h GLU 170 N 0.00 0.75 -0.39 1.46 4.57 -1.28 -0.74 114.58 118.95 3n2l h GLU 170 Ca -0.00 -0.46 -0.03 0.00 -1.18 0.00 0.00 59.36 57.68 3n2l h GLU 170 Cb 0.75 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.38 3n2l h GLU 170 CO 0.04 1.09 0.14 0.28 -1.18 0.00 0.00 179.01 179.38 3n2l h VAL 171 N 0.49 1.21 -0.76 0.32 2.07 -1.22 0.95 116.25 119.31 3n2l h VAL 171 Ca 0.02 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 3n2l h VAL 171 Cb 1.04 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 3n2l h VAL 171 CO 0.10 0.23 0.29 -0.33 0.02 0.00 0.00 177.57 177.88 3n2l h GLU 172 N 0.49 1.14 -0.08 1.57 5.08 -1.35 0.04 114.58 121.47 3n2l h GLU 172 Ca 0.13 -0.21 -0.23 0.00 -1.00 0.00 0.00 59.36 58.04 3n2l h GLU 172 Cb 0.23 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.31 3n2l h GLU 172 CO -0.01 0.94 -0.87 -0.09 -1.00 0.00 0.00 179.01 177.98 3n2l h ARG 173 N 1.10 0.67 0.01 2.33 2.43 -0.98 0.80 114.38 120.74 3n2l h ARG 173 Ca 0.25 -0.61 -0.23 0.00 -0.81 0.00 0.00 59.98 58.58 3n2l h ARG 173 Cb 0.23 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 3n2l h ARG 173 CO -0.02 1.22 -1.16 -0.44 -1.51 0.00 0.00 179.97 178.06 3n2l h ASP 174 N 0.42 0.04 0.00 -3.80 3.32 -0.71 -3.38 116.42 112.32 3n2l h ASP 174 Ca -0.08 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3n2l h ASP 174 Cb 1.50 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 41.04 3n2l h ASP 174 CO 0.17 1.04 -0.85 0.49 -1.72 0.00 0.00 179.24 178.37 3n2l n PHE 175 N -3.31 0.00 -1.01 4.55 3.72 -0.01 -5.03 117.46 116.36 3n2l n PHE 175 Ca -0.04 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.35 3n2l n PHE 175 Cb 0.97 -0.09 -0.00 0.00 -0.94 0.00 0.00 39.48 39.42 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 1.55 0.47 3.72 1.37 0.00 0.27 -4.94 105.19 107.64 3n2l n GLY 176 Ca 0.00 -0.43 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.02 3.24 -0.34 0.00 0.00 -1.26 -4.33 121.76 117.05 3n2l s ALA 178 Ca 0.31 0.63 -0.15 0.00 0.00 0.00 0.00 51.96 52.75 3n2l s ALA 178 Cb -0.08 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 3n2l s ALA 178 CO 0.21 -0.22 0.35 0.08 0.00 0.00 0.00 175.76 176.18 3n2l s VAL 179 N 0.68 5.18 0.39 0.00 1.01 -1.26 -2.32 120.40 124.08 3n2l s VAL 179 Ca 0.52 0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.59 3n2l s VAL 179 Cb -0.24 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 3n2l s VAL 179 CO 0.29 -0.08 0.40 0.27 0.00 0.00 0.00 175.10 175.98 3n2l s ILE 180 N 1.98 3.05 0.10 2.22 -4.36 0.12 -4.97 121.20 119.35 3n2l s ILE 180 Ca 0.11 -1.26 -0.04 0.00 -0.26 0.00 0.00 60.65 59.20 3n2l s ILE 180 Cb -0.17 -3.08 -0.03 0.00 1.25 0.00 0.00 42.46 40.44 3n2l s ILE 180 CO 0.11 -0.06 0.11 -0.94 0.24 0.00 0.00 174.94 174.40 3n2l s SER 181 N -4.14 0.27 -0.01 4.36 1.04 -1.26 -2.03 113.70 111.93 3n2l s SER 181 Ca 0.47 -0.96 -0.23 0.00 0.48 0.00 0.00 55.95 55.71 3n2l s SER 181 Cb -0.06 0.30 -0.15 0.00 0.10 0.00 0.00 66.02 66.21 3n2l s SER 181 CO 0.29 -0.72 1.08 0.40 0.98 0.00 0.00 173.24 175.26 3n2l h ILE 182 N 2.86 0.62 -3.91 -1.02 2.04 -1.26 -3.46 117.51 113.37 3n2l h ILE 182 Ca -0.34 -0.72 -0.22 0.00 1.00 0.00 0.00 64.86 64.58 3n2l h ILE 182 Cb 1.19 0.94 -0.17 0.00 -0.74 0.00 0.00 36.82 38.04 3n2l h ILE 182 CO 0.58 0.12 -0.71 0.68 0.00 0.00 0.00 178.15 178.83 3n2l s VAL 183 N -4.21 0.57 0.43 1.67 -7.23 -0.89 -4.83 120.40 105.90 3n2l s VAL 183 Ca -0.13 -1.64 0.05 0.00 -1.81 0.00 0.00 61.98 58.45 3n2l s VAL 183 Cb 0.02 -1.30 -0.06 0.00 0.56 0.00 0.00 36.38 35.60 3n2l s VAL 183 CO 0.49 -0.74 0.02 -0.94 -0.31 0.00 0.00 175.10 173.62 3n2l s SER 184 N -2.55 3.73 0.43 4.85 1.04 -1.26 -2.24 113.70 117.70 3n2l s SER 184 Ca 0.04 -1.47 0.15 0.00 0.48 0.00 0.00 55.95 55.16 3n2l s SER 184 Cb 0.01 -0.06 1.05 0.00 0.10 0.00 0.00 66.02 67.12 3n2l s SER 184 CO -0.04 -0.60 1.93 0.25 0.98 0.00 0.00 173.24 175.76 3n2l h LEU 185 N 1.69 0.38 -0.44 2.42 5.85 -1.59 -1.21 115.31 122.42 3n2l h LEU 185 Ca -0.43 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.28 3n2l h LEU 185 Cb 1.26 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 3n2l h LEU 185 CO 0.77 0.21 0.18 0.74 -0.34 0.00 0.00 178.44 179.99 3n2l h THR 186 N 0.41 1.20 -0.82 1.05 2.02 -1.92 -2.28 112.91 112.57 3n2l h THR 186 Ca 0.35 -0.60 0.04 0.00 0.77 0.00 0.00 66.41 66.97 3n2l h THR 186 Cb 0.79 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 67.93 3n2l h THR 186 CO -0.11 0.22 0.54 0.44 0.37 0.00 0.00 175.52 176.99 3n2l h ASP 187 N 0.56 0.86 -0.37 4.18 3.45 -1.63 0.22 116.42 123.69 3n2l h ASP 187 Ca 0.15 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.60 3n2l h ASP 187 Cb 0.18 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 38.74 3n2l h ASP 187 CO -0.01 0.58 0.24 -0.07 -1.57 0.00 0.00 179.24 178.41 3n2l h LEU 188 N 0.99 0.43 -0.27 1.55 3.38 -0.93 0.59 115.31 121.05 3n2l h LEU 188 Ca 0.33 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.23 3n2l h LEU 188 Cb 0.08 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3n2l h LEU 188 CO -0.10 0.32 -0.05 0.16 0.09 0.00 0.00 178.44 178.86 3n2l h ILE 189 N 0.50 1.28 -0.95 1.22 -0.00 -0.63 -1.97 117.51 116.95 3n2l h ILE 189 Ca 0.14 -1.05 0.12 0.00 -0.00 0.00 0.00 64.86 64.06 3n2l h ILE 189 Cb -0.04 1.42 -0.08 0.00 -0.00 0.00 0.00 36.82 38.12 3n2l h ILE 189 CO -0.03 0.33 0.58 0.74 -0.00 0.00 0.00 178.15 179.77 3n2l h THR 190 N 0.26 0.88 -0.60 0.16 2.02 -0.45 0.15 112.91 115.34 3n2l h THR 190 Ca 0.07 -0.31 -0.04 0.00 0.77 0.00 0.00 66.41 66.90 3n2l h THR 190 Cb 0.52 -0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 3n2l h THR 190 CO 0.02 0.16 0.22 0.22 0.37 0.00 0.00 175.52 176.52 3n2l h TYR 191 N 0.90 0.93 -0.52 3.16 3.20 -0.43 -2.34 116.97 121.87 3n2l h TYR 191 Ca 0.48 -0.08 -0.08 0.00 3.14 0.00 0.00 58.73 62.19 3n2l h TYR 191 Cb 0.51 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 3n2l h TYR 191 CO -0.02 0.75 0.00 -0.07 -1.64 0.00 0.00 178.16 177.18 3n2l h LEU 192 N 0.84 0.90 -0.98 2.82 3.38 -0.42 -2.36 115.31 119.49 3n2l h LEU 192 Ca 0.20 -0.31 0.10 0.00 0.09 0.00 0.00 57.88 57.96 3n2l h LEU 192 Cb 0.23 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 40.66 3n2l h LEU 192 CO -0.01 0.99 0.61 -0.33 0.09 0.00 0.00 178.44 179.79 3n2l h GLU 193 N 0.79 0.99 0.00 1.13 5.08 -0.56 -1.63 114.58 120.38 3n2l h GLU 193 Ca 0.15 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3n2l h GLU 193 Cb 0.52 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3n2l h GLU 193 CO 0.03 0.66 -0.01 1.96 -1.00 0.00 0.00 179.01 180.64 3n2l h GLN 194 N 1.02 0.00 -5.52 2.33 4.20 -1.27 -3.42 115.11 112.46 3n2l h GLN 194 Ca 0.46 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.98 3n2l h GLN 194 Cb 0.37 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 3n2l h GLN 194 CO -0.23 0.00 0.53 -0.65 -0.67 0.00 0.00 178.83 177.81 3n2l s GLN 195 N -3.15 2.16 0.00 1.46 -1.52 -0.61 -4.93 119.66 113.07 3n2l s GLN 195 Ca 0.09 -0.24 0.00 0.00 -1.95 0.00 0.00 55.36 53.26 3n2l s GLN 195 Cb 0.09 -5.01 0.00 0.00 -0.22 0.00 0.00 33.01 27.87 3n2l s GLN 195 CO 0.63 -3.97 0.00 0.41 -0.25 0.00 0.00 175.29 172.11 3n2l n GLY 196 N 6.61 0.00 2.85 3.09 0.00 -1.26 -4.74 105.19 111.75 3n2l n GLY 196 Ca 0.43 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.15 3n2l n GLY 196 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3n2l n ASN 197 N 0.00 5.01 -0.33 1.61 5.15 -1.26 -4.90 115.26 120.54 3n2l n ASN 197 Ca 0.00 -3.70 0.25 0.00 -0.60 0.00 0.00 54.58 50.53 3n2l n ASN 197 Cb 0.00 -0.65 0.48 0.00 -0.53 0.00 0.00 39.78 39.08 3n2l n ASN 197 CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 3n2l h ASN 198 N 3.13 0.36 -0.60 1.20 4.21 -1.99 0.11 115.58 122.01 3n2l h ASN 198 Ca 0.22 0.22 0.09 0.00 1.21 0.00 0.00 56.30 58.03 3n2l h ASN 198 Cb 0.50 0.21 -0.11 0.00 -1.12 0.00 0.00 38.32 37.80 3n2l h ASN 198 CO 0.89 -0.24 -0.42 0.74 -1.29 0.00 0.00 177.43 177.11 3n2l h THR 199 N 0.20 0.09 -0.14 2.81 2.02 -1.98 1.72 112.91 117.63 3n2l h THR 199 Ca 0.74 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.92 3n2l h THR 199 Cb 1.76 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 3n2l h THR 199 CO -0.68 0.00 0.06 -0.08 0.37 0.00 0.00 175.52 175.20 3n2l h GLU 200 N -0.21 0.21 -0.16 6.66 4.81 -1.22 -2.39 114.58 122.28 3n2l h GLU 200 Ca 0.19 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3n2l h GLU 200 Cb 0.56 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 3n2l h GLU 200 CO -0.70 0.28 0.01 0.45 -0.73 0.00 0.00 179.01 178.32 3n2l h HIS 201 N 0.09 0.31 -0.61 0.92 3.86 -0.98 -2.32 115.15 116.42 3n2l h HIS 201 Ca 0.05 -0.05 0.12 0.00 -1.16 0.00 0.00 60.37 59.32 3n2l h HIS 201 Cb 0.14 -0.08 -0.12 0.00 1.06 0.00 0.00 27.41 28.41 3n2l h HIS 201 CO -0.02 0.49 -0.23 1.25 0.86 0.00 0.00 177.93 180.28 3n2l h LEU 202 N 0.04 -0.83 -0.69 2.43 6.46 0.26 0.12 115.31 123.10 3n2l h LEU 202 Ca 0.05 0.21 -0.12 0.00 -0.12 0.00 0.00 57.88 57.89 3n2l h LEU 202 Cb 0.36 0.47 -0.01 0.00 -0.73 0.00 0.00 40.66 40.75 3n2l h LEU 202 CO 0.01 -0.26 -0.31 -0.33 -0.62 0.00 0.00 178.44 176.93 3n2l h GLU 203 N -0.08 0.66 -0.28 1.25 4.39 -1.32 -1.17 114.58 118.04 3n2l h GLU 203 Ca 0.28 -0.30 -0.10 0.00 0.34 0.00 0.00 59.36 59.58 3n2l h GLU 203 Cb 0.51 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 3n2l h GLU 203 CO -0.66 0.89 -0.24 0.00 -1.16 0.00 0.00 179.01 177.84 3n2l h ALA 204 N 1.09 1.08 -0.33 3.43 0.00 -0.71 -1.78 119.26 122.03 3n2l h ALA 204 Ca 0.07 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 3n2l h ALA 204 Cb 0.81 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3n2l h ALA 204 CO 0.07 0.57 -0.39 0.28 0.00 0.00 0.00 179.25 179.78 3n2l h VAL 205 N 0.47 1.28 -0.37 0.00 2.07 -0.49 -1.45 116.25 117.77 3n2l h VAL 205 Ca 0.07 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 66.03 3n2l h VAL 205 Cb 0.66 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 3n2l h VAL 205 CO 0.05 0.51 0.24 0.11 0.02 0.00 0.00 177.57 178.50 3n2l h LYS 206 N 0.64 0.48 -0.72 1.57 1.57 -1.04 -0.07 116.57 119.00 3n2l h LYS 206 Ca 0.05 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 3n2l h LYS 206 Cb 0.98 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.15 3n2l h LYS 206 CO 0.09 0.32 0.30 0.00 -0.57 0.00 0.00 179.45 179.59 3n2l h ALA 207 N 1.14 1.18 -0.45 3.86 0.00 -1.32 -1.55 119.26 122.12 3n2l h ALA 207 Ca 0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3n2l h ALA 207 Cb -0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3n2l h ALA 207 CO -0.03 0.60 0.09 -0.92 0.00 0.00 0.00 179.25 178.99 3n2l h TYR 208 N 1.03 0.69 -0.13 0.00 3.20 -0.47 -2.14 116.97 119.15 3n2l h TYR 208 Ca 0.24 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 3n2l h TYR 208 Cb 0.17 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.23 3n2l h TYR 208 CO 0.02 0.60 -0.06 -0.09 -1.64 0.00 0.00 178.16 176.99 3n2l h ARG 209 N 0.66 0.28 -0.83 1.82 2.43 -0.45 0.48 114.38 118.77 3n2l h ARG 209 Ca 0.15 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3n2l h ARG 209 Cb 0.27 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 3n2l h ARG 209 CO -0.00 0.61 0.43 0.00 -1.51 0.00 0.00 179.97 179.50 3n2l h ALA 210 N 0.66 1.06 -0.17 2.80 0.00 -1.10 2.50 119.26 125.00 3n2l h ALA 210 Ca 0.03 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 3n2l h ALA 210 Cb 0.53 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3n2l h ALA 210 CO 0.02 0.60 -0.30 0.37 0.00 0.00 0.00 179.25 179.94 3n2l h GLN 211 N 1.16 0.51 -0.00 0.00 4.15 -1.33 -3.38 115.11 116.22 3n2l h GLN 211 Ca 0.29 -0.32 0.00 0.00 0.77 0.00 0.00 58.65 59.39 3n2l h GLN 211 Cb 0.07 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.80 3n2l h GLN 211 CO -0.04 0.92 -0.03 0.66 -1.93 0.00 0.00 178.83 178.41 3n2l n TYR 212 N -4.37 0.00 0.00 3.99 4.01 0.15 -5.07 117.16 115.88 3n2l n TYR 212 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 3n2l n TYR 212 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 3n2l n TYR 212 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3n2l n GLY 213 N 0.35 -1.43 3.68 2.72 0.00 0.84 -4.99 105.19 106.37 3n2l n GLY 213 Ca 0.02 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.63 3n2l n GLY 213 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71