#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 2.91 0.24 2.12 1.02 -1.26 -4.86 119.74 119.91 3n2l s LYS 3 Ca 0.00 1.76 -0.05 0.00 0.02 0.00 0.00 55.97 57.70 3n2l s LYS 3 Cb 0.00 -1.93 0.39 0.00 -0.52 0.00 0.00 37.83 35.77 3n2l s LYS 3 CO 0.00 -1.24 1.79 0.00 -0.92 0.00 0.00 175.35 174.97 3n2l h ALA 4 N 0.72 1.10 0.00 5.17 0.00 -2.04 -1.03 119.26 123.18 3n2l h ALA 4 Ca -0.50 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 3n2l h ALA 4 Cb 1.29 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3n2l h ALA 4 CO 0.55 -0.00 -0.05 0.10 0.00 0.00 0.00 179.25 179.84 3n2l h TYR 5 N 0.67 0.00 -0.02 0.00 -0.00 -1.99 -1.21 116.97 114.43 3n2l h TYR 5 Ca 0.39 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 59.04 3n2l h TYR 5 Cb 0.42 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.15 3n2l h TYR 5 CO -0.09 0.05 -0.28 1.96 -0.00 0.00 0.00 178.16 179.81 3n2l h GLN 6 N 0.00 0.22 -0.94 0.10 4.20 -1.51 -1.53 115.11 115.66 3n2l h GLN 6 Ca -0.00 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.49 3n2l h GLN 6 Cb 0.41 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.20 3n2l h GLN 6 CO 0.01 0.91 0.55 -0.09 -0.67 0.00 0.00 178.83 179.54 3n2l h ARG 7 N -0.39 1.29 -0.28 1.46 2.43 -1.15 -1.89 114.38 115.84 3n2l h ARG 7 Ca -0.03 -0.13 -0.06 0.00 -0.81 0.00 0.00 59.98 58.95 3n2l h ARG 7 Cb 1.00 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 3n2l h ARG 7 CO 0.06 0.91 -0.06 0.93 -1.51 0.00 0.00 179.97 180.29 3n2l h GLU 8 N 1.30 0.54 -0.48 0.20 5.08 -1.25 -1.70 114.58 118.27 3n2l h GLU 8 Ca 0.33 -0.20 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 3n2l h GLU 8 Cb -0.03 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 3n2l h GLU 8 CO -0.06 0.74 0.21 0.35 -1.00 0.00 0.00 179.01 179.25 3n2l h PHE 9 N 0.30 0.37 -0.22 4.33 3.57 -1.15 0.23 116.94 124.37 3n2l h PHE 9 Ca 0.07 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.61 3n2l h PHE 9 Cb 0.54 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 3n2l h PHE 9 CO 0.05 0.16 0.10 0.82 -2.23 0.00 0.00 178.31 177.21 3n2l h ILE 10 N 0.41 0.98 -0.40 1.41 2.04 -1.09 0.15 117.51 121.01 3n2l h ILE 10 Ca 0.22 -0.08 0.05 0.00 1.00 0.00 0.00 64.86 66.06 3n2l h ILE 10 Cb 0.18 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 3n2l h ILE 10 CO -0.19 0.04 0.13 -0.08 0.00 0.00 0.00 178.15 178.05 3n2l h GLU 11 N 0.22 0.28 -0.57 2.37 4.81 -0.82 -1.51 114.58 119.35 3n2l h GLU 11 Ca 0.09 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 3n2l h GLU 11 Cb 0.03 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3n2l h GLU 11 CO -0.07 0.18 0.20 0.35 -0.73 0.00 0.00 179.01 178.94 3n2l h PHE 12 N 0.29 0.90 0.00 0.92 3.57 -0.17 -0.25 116.94 122.19 3n2l h PHE 12 Ca 0.19 -0.08 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 3n2l h PHE 12 Cb 0.18 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 3n2l h PHE 12 CO -0.16 0.74 -0.40 0.00 -2.23 0.00 0.00 178.31 176.26 3n2l h ALA 13 N 1.06 1.31 -0.02 2.41 0.00 -0.28 -2.36 119.26 121.39 3n2l h ALA 13 Ca 0.19 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3n2l h ALA 13 Cb 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3n2l h ALA 13 CO -0.01 0.50 -0.15 -0.07 0.00 0.00 0.00 179.25 179.53 3n2l h LEU 14 N 0.00 0.16 -0.77 0.00 3.38 -0.97 -1.68 115.31 115.44 3n2l h LEU 14 Ca -0.00 -0.71 0.15 0.00 0.09 0.00 0.00 57.88 57.41 3n2l h LEU 14 Cb 0.72 -0.05 -0.15 0.00 0.09 0.00 0.00 40.66 41.28 3n2l h LEU 14 CO 0.05 0.84 -0.21 -0.33 0.09 0.00 0.00 178.44 178.89 3n2l h GLU 15 N -0.51 -0.01 -0.00 1.13 5.08 -0.85 -0.15 114.58 119.28 3n2l h GLU 15 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3n2l h GLU 15 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 3n2l h GLU 15 CO 0.03 -0.01 -0.10 1.63 -1.00 0.00 0.00 179.01 179.56 3n2l n LYS 16 N -5.50 0.41 -1.03 2.33 4.76 -0.91 -4.90 118.16 113.32 3n2l n LYS 16 Ca 0.10 -0.10 -0.01 0.00 -2.87 0.00 0.00 58.31 55.43 3n2l n LYS 16 Cb 0.39 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 32.08 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 -1.20 -0.23 0.11 1.97 1.13 -0.07 -4.90 117.38 114.19 3n2l n GLN 17 Ca 0.12 0.26 -0.20 0.00 -1.94 0.00 0.00 57.00 55.24 3n2l n GLN 17 Cb 0.29 -3.60 -0.13 0.00 0.11 0.00 0.00 30.24 26.91 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 1.37 -3.36 5.09 2.07 -1.57 -3.43 116.25 116.42 3n2l h VAL 18 Ca -0.02 -2.73 -0.62 0.00 0.82 0.00 0.00 66.70 64.14 3n2l h VAL 18 Cb 0.14 2.84 -0.18 0.00 -1.52 0.00 0.00 31.29 32.57 3n2l h VAL 18 CO 0.03 0.81 -0.58 -0.22 0.02 0.00 0.00 177.57 177.63 3n2l s LEU 19 N -7.53 3.69 -0.00 2.57 2.96 -0.74 -2.64 118.68 117.00 3n2l s LEU 19 Ca -0.07 0.01 0.04 0.00 -0.22 0.00 0.00 54.13 53.89 3n2l s LEU 19 Cb 0.06 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.80 3n2l s LEU 19 CO 0.91 0.14 -0.12 -0.54 -1.32 0.00 0.00 176.35 175.42 3n2l s LYS 20 N 0.60 0.91 0.07 1.98 1.02 0.04 -4.49 119.74 119.88 3n2l s LYS 20 Ca 0.03 -0.44 0.02 0.00 0.02 0.00 0.00 55.97 55.59 3n2l s LYS 20 Cb -0.13 -0.88 -0.04 0.00 -0.52 0.00 0.00 37.83 36.25 3n2l s LYS 20 CO 0.01 0.24 0.13 -0.06 -0.92 0.00 0.00 175.35 174.76 3n2l s PHE 21 N -0.33 3.33 -4.85 3.18 0.08 -1.26 -0.03 117.98 118.10 3n2l s PHE 21 Ca 0.04 0.15 0.00 0.00 0.12 0.00 0.00 56.93 57.24 3n2l s PHE 21 Cb -0.05 -1.68 0.00 0.00 -0.57 0.00 0.00 43.02 40.72 3n2l s PHE 21 CO -0.00 0.55 0.00 0.41 -0.10 0.00 0.00 175.22 176.08 3n2l n GLY 22 N 0.39 -0.89 3.15 4.36 0.00 -0.72 -4.96 105.19 106.53 3n2l n GLY 22 Ca -0.07 -1.15 -0.38 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.94 3.42 0.27 1.61 2.02 -1.26 -4.06 118.70 118.76 3n2l s GLU 23 Ca 0.00 -3.24 -0.11 0.00 0.02 0.00 0.00 54.97 51.64 3n2l s GLU 23 Cb 0.00 -4.06 -0.08 0.00 0.10 0.00 0.00 34.13 30.09 3n2l s GLU 23 CO 0.00 -1.26 0.62 -0.06 0.02 0.00 0.00 175.26 174.58 3n2l s PHE 24 N -1.28 3.41 0.41 1.61 0.08 0.13 -4.95 117.98 117.40 3n2l s PHE 24 Ca 0.28 0.99 0.08 0.00 0.12 0.00 0.00 56.93 58.39 3n2l s PHE 24 Cb -0.08 -2.36 -0.03 0.00 -0.57 0.00 0.00 43.02 39.98 3n2l s PHE 24 CO -0.11 0.19 0.30 0.95 -0.10 0.00 0.00 175.22 176.45 3n2l s THR 25 N -1.90 2.55 0.00 0.64 -4.23 -1.26 -0.74 115.64 110.70 3n2l s THR 25 Ca 0.50 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 59.52 3n2l s THR 25 Cb -0.11 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.73 3n2l s THR 25 CO 0.20 -0.01 0.10 0.61 -0.54 0.00 0.00 174.62 174.99 3n2l n GLY 29 N -1.42 0.27 3.66 3.99 0.00 -1.26 -4.80 105.19 105.63 3n2l n GLY 29 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 3n2l n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3n2l s ARG 30 N 1.10 4.22 -0.46 1.61 3.52 -1.26 -5.01 118.95 122.67 3n2l s ARG 30 Ca 0.00 1.86 -0.13 0.00 -0.13 0.00 0.00 55.73 57.33 3n2l s ARG 30 Cb 0.00 -3.83 0.08 0.00 -1.56 0.00 0.00 34.95 29.64 3n2l s ARG 30 CO 0.00 -0.74 0.35 0.21 -0.81 0.00 0.00 175.30 174.31 3n2l s LYS 31 N 3.61 2.85 0.03 5.12 2.20 -1.26 -4.91 119.74 127.38 3n2l s LYS 31 Ca 0.62 -1.40 0.02 0.00 -0.36 0.00 0.00 55.97 54.84 3n2l s LYS 31 Cb -0.26 -4.02 -0.02 0.00 -1.51 0.00 0.00 37.83 32.02 3n2l s LYS 31 CO 0.21 -1.01 -0.06 0.45 -0.36 0.00 0.00 175.35 174.57 3n2l s SER 32 N 2.48 0.65 0.00 1.43 0.15 0.09 -4.99 113.70 113.49 3n2l s SER 32 Ca 0.04 -0.43 0.30 0.00 0.70 0.00 0.00 55.95 56.56 3n2l s SER 32 Cb -0.24 0.03 1.54 0.00 -1.71 0.00 0.00 66.02 65.64 3n2l s SER 32 CO 0.05 -0.17 2.03 -0.81 1.20 0.00 0.00 173.24 175.55 3n2l n PRO 33 N 1.83 0.87 -3.99 5.44 -0.04 -1.26 -0.69 135.00 137.16 3n2l n PRO 33 Ca -0.21 -0.18 -0.09 0.00 -0.04 0.00 0.00 63.50 62.99 3n2l n PRO 33 Cb 0.56 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.41 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 -2.25 0.30 -0.05 0.54 -0.85 -1.26 -1.75 117.35 112.03 3n2l s TYR 34 Ca 0.37 -0.63 0.04 0.00 -0.52 0.00 0.00 57.07 56.33 3n2l s TYR 34 Cb 0.21 -0.22 0.00 0.00 0.38 0.00 0.00 41.96 42.33 3n2l s TYR 34 CO 0.41 -0.26 -0.15 0.12 -1.52 0.00 0.00 175.55 174.15 3n2l s PHE 35 N -2.17 1.60 -0.04 -3.49 5.36 0.96 -4.91 117.98 115.29 3n2l s PHE 35 Ca -0.09 -0.49 -0.01 0.00 -0.96 0.00 0.00 56.93 55.38 3n2l s PHE 35 Cb -0.05 -1.10 0.03 0.00 -0.34 0.00 0.00 43.02 41.56 3n2l s PHE 35 CO -0.03 -0.19 0.03 0.12 -1.46 0.00 0.00 175.22 173.68 3n2l s PHE 36 N 0.19 0.27 -0.20 10.12 5.36 -1.26 -0.78 117.98 131.68 3n2l s PHE 36 Ca -0.06 0.07 -0.04 0.00 -0.96 0.00 0.00 56.93 55.94 3n2l s PHE 36 Cb -0.12 -0.51 0.07 0.00 -0.34 0.00 0.00 43.02 42.12 3n2l s PHE 36 CO 0.03 -0.19 0.08 1.21 -1.46 0.00 0.00 175.22 174.88 3n2l s ASN 37 N 1.66 2.80 0.51 6.13 2.47 -1.08 -4.90 114.94 122.54 3n2l s ASN 37 Ca -0.01 -0.84 0.34 0.00 0.42 0.00 0.00 52.86 52.77 3n2l s ASN 37 Cb -0.13 -0.41 1.72 0.00 -1.45 0.00 0.00 41.25 40.98 3n2l s ASN 37 CO -0.03 -0.35 2.03 0.00 -3.72 0.00 0.00 177.10 175.03 3n2l h ALA 38 N 8.34 1.00 0.00 1.71 0.00 -1.94 -0.52 119.26 127.84 3n2l h ALA 38 Ca -0.16 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3n2l h ALA 38 Cb 1.11 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3n2l h ALA 38 CO 0.34 0.00 -0.02 0.78 0.00 0.00 0.00 179.25 180.35 3n2l h GLY 39 N 0.69 0.00 2.00 0.00 0.00 -1.96 -1.90 103.07 101.90 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 -3.20 0.55 -4.76 3.11 4.77 -0.20 -4.64 117.00 112.62 3n2l n LEU 40 Ca -0.02 0.55 -0.38 0.00 -0.03 0.00 0.00 56.01 56.13 3n2l n LEU 40 Cb 0.16 -0.38 0.01 0.00 -2.33 0.00 0.00 43.42 40.87 3n2l n LEU 40 CO 0.24 -0.13 0.93 -0.36 -1.33 0.00 0.00 177.39 176.74 3n2l s PHE 41 N -3.07 2.65 0.00 -1.77 0.08 -0.72 -4.88 117.98 110.27 3n2l s PHE 41 Ca 0.12 1.43 0.00 0.00 0.12 0.00 0.00 56.93 58.60 3n2l s PHE 41 Cb 0.14 -3.63 0.00 0.00 -0.57 0.00 0.00 43.02 38.96 3n2l s PHE 41 CO 0.57 -2.21 0.21 0.27 -0.10 0.00 0.00 175.22 173.97 3n2l n ASN 42 N -0.45 0.00 -4.31 1.36 0.23 -1.26 -5.06 115.26 105.76 3n2l n ASN 42 Ca 0.07 -1.00 -0.17 0.00 -0.53 0.00 0.00 54.58 52.95 3n2l n ASN 42 Cb 0.45 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.05 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 0.00 1.48 0.37 5.53 -4.23 -1.26 -5.04 115.64 112.49 3n2l s THR 43 Ca 0.00 -2.14 0.05 0.00 -1.18 0.00 0.00 61.69 58.42 3n2l s THR 43 Cb 0.00 -2.00 0.28 0.00 1.34 0.00 0.00 72.50 72.12 3n2l s THR 43 CO 0.00 -0.63 2.00 1.23 -0.54 0.00 0.00 174.62 176.68 3n2l h GLY 44 N 2.63 0.85 0.85 3.99 0.00 -1.99 -1.19 103.07 108.21 3n2l h GLY 44 Ca -0.38 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 46.61 3n2l h GLY 44 CO 0.63 0.26 -0.04 -0.09 0.00 0.00 0.00 176.54 177.30 3n2l h ARG 45 N 0.76 0.47 -0.30 4.80 2.43 -1.98 -0.24 114.38 120.31 3n2l h ARG 45 Ca 0.25 -0.17 0.07 0.00 -0.81 0.00 0.00 59.98 59.32 3n2l h ARG 45 Cb 0.06 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.51 3n2l h ARG 45 CO -0.07 0.68 -0.15 -0.44 -1.51 0.00 0.00 179.97 178.48 3n2l h ASP 46 N 0.22 -0.50 -0.66 -3.80 5.19 -1.84 -0.59 116.42 114.45 3n2l h ASP 46 Ca 0.07 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 3n2l h ASP 46 Cb 0.49 0.27 -0.03 0.00 0.18 0.00 0.00 39.33 40.24 3n2l h ASP 46 CO 0.02 -0.18 0.42 -0.07 -3.12 0.00 0.00 179.24 176.30 3n2l h LEU 47 N -0.10 0.78 0.15 1.55 3.38 -1.12 0.80 115.31 120.75 3n2l h LEU 47 Ca 0.16 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3n2l h LEU 47 Cb 0.34 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3n2l h LEU 47 CO -0.37 0.59 -0.07 0.00 0.09 0.00 0.00 178.44 178.68 3n2l h ALA 48 N 1.55 -0.20 -0.71 1.53 0.00 -0.44 -2.01 119.26 118.97 3n2l h ALA 48 Ca 0.24 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3n2l h ALA 48 Cb -0.06 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3n2l h ALA 48 CO -0.05 -0.51 0.22 0.00 0.00 0.00 0.00 179.25 178.92 3n2l h ARG 49 N -0.41 1.11 -0.68 0.00 3.08 -0.88 -2.81 114.38 113.79 3n2l h ARG 49 Ca -0.02 -0.24 0.02 0.00 0.07 0.00 0.00 59.98 59.81 3n2l h ARG 49 Cb 0.32 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 3n2l h ARG 49 CO 0.03 0.95 0.43 1.25 -1.07 0.00 0.00 179.97 181.57 3n2l h LEU 50 N 1.05 0.72 -0.90 3.04 5.85 -0.75 -1.17 115.31 123.16 3n2l h LEU 50 Ca 0.23 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 3n2l h LEU 50 Cb 0.30 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3n2l h LEU 50 CO -0.01 0.51 -0.05 1.23 -0.34 0.00 0.00 178.44 179.78 3n2l h GLY 51 N 0.86 0.82 1.38 3.75 0.00 -1.21 -1.24 103.07 107.42 3n2l h GLY 51 Ca 0.27 -0.57 -0.07 0.00 0.00 0.00 0.00 47.33 46.96 3n2l h GLY 51 CO -0.09 0.53 -0.01 3.21 0.00 0.00 0.00 176.54 180.18 3n2l h ARG 52 N 0.70 0.76 -0.26 4.80 3.08 -1.02 0.73 114.38 123.16 3n2l h ARG 52 Ca 0.13 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 3n2l h ARG 52 Cb 0.50 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3n2l h ARG 52 CO 0.03 0.77 -0.01 0.74 -1.07 0.00 0.00 179.97 180.43 3n2l h PHE 53 N 0.71 0.52 -0.55 3.04 0.04 -0.78 -1.16 116.94 118.76 3n2l h PHE 53 Ca 0.14 -0.09 0.01 0.00 2.80 0.00 0.00 57.97 60.82 3n2l h PHE 53 Cb 0.44 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.43 3n2l h PHE 53 CO 0.02 0.64 0.36 1.88 -0.60 0.00 0.00 178.31 180.62 3n2l h TYR 54 N 0.25 0.69 -0.62 -0.55 -1.99 -1.16 -1.78 116.97 111.80 3n2l h TYR 54 Ca 0.07 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.79 3n2l h TYR 54 Cb 0.44 -0.23 -0.03 0.00 2.00 0.00 0.00 36.73 38.91 3n2l h TYR 54 CO 0.04 0.44 0.27 0.00 -0.00 0.00 0.00 178.16 178.91 3n2l h ALA 55 N 1.20 1.32 -0.43 3.88 0.00 -0.79 -0.97 119.26 123.47 3n2l h ALA 55 Ca 0.20 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3n2l h ALA 55 Cb -0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3n2l h ALA 55 CO -0.04 0.52 0.01 0.00 0.00 0.00 0.00 179.25 179.74 3n2l h ALA 56 N 1.42 0.57 -0.82 0.00 0.00 -0.90 -1.72 119.26 117.82 3n2l h ALA 56 Ca 0.21 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3n2l h ALA 56 Cb 0.13 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3n2l h ALA 56 CO -0.02 0.35 0.43 0.00 0.00 0.00 0.00 179.25 180.00 3n2l h ALA 57 N 0.91 1.06 -0.32 0.00 0.00 -1.13 -0.71 119.26 119.07 3n2l h ALA 57 Ca 0.12 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3n2l h ALA 57 Cb 0.47 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3n2l h ALA 57 CO 0.02 0.59 -0.08 1.25 0.00 0.00 0.00 179.25 181.03 3n2l h LEU 58 N 1.16 0.62 -0.59 0.00 5.85 -0.86 -1.69 115.31 119.81 3n2l h LEU 58 Ca 0.29 -0.37 -0.12 0.00 0.84 0.00 0.00 57.88 58.52 3n2l h LEU 58 Cb 0.07 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3n2l h LEU 58 CO -0.04 0.85 -0.21 0.58 -0.34 0.00 0.00 178.44 179.28 3n2l h VAL 59 N 0.39 1.27 -0.52 1.05 2.07 -1.25 -2.68 116.25 116.58 3n2l h VAL 59 Ca 0.08 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 3n2l h VAL 59 Cb 0.58 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 3n2l h VAL 59 CO 0.03 0.46 0.30 -0.78 0.02 0.00 0.00 177.57 177.60 3n2l h ASP 60 N 0.79 0.62 -0.13 0.57 3.58 -1.01 -2.96 116.42 117.88 3n2l h ASP 60 Ca 0.11 -0.03 -0.08 0.00 0.42 0.00 0.00 57.03 57.44 3n2l h ASP 60 Cb 0.76 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 3n2l h ASP 60 CO 0.06 0.49 -0.17 0.77 -2.88 0.00 0.00 179.24 177.51 3n2l h SER 61 N 0.71 0.52 0.00 2.28 4.64 -0.95 -3.47 113.55 117.28 3n2l h SER 61 Ca 0.19 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3n2l h SER 61 Cb -0.00 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 3n2l h SER 61 CO -0.03 0.71 0.00 0.61 -0.87 0.00 0.00 176.83 177.24 3n2l n GLY 62 N -0.51 0.53 3.69 -0.77 0.00 -1.12 -5.00 105.19 102.01 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 -2.22 3.94 0.17 -0.61 1.01 -1.26 -4.99 121.20 117.24 3n2l s ILE 63 Ca 0.00 1.29 -0.27 0.00 0.00 0.00 0.00 60.65 61.67 3n2l s ILE 63 Cb 0.00 -3.83 -0.08 0.00 0.01 0.00 0.00 42.46 38.56 3n2l s ILE 63 CO 0.00 -0.00 0.85 -0.70 0.00 0.00 0.00 174.94 175.09 3n2l s GLU 64 N 2.35 4.68 0.07 2.79 -6.30 -1.26 -5.00 118.70 116.03 3n2l s GLU 64 Ca 0.61 1.30 -0.15 0.00 -2.50 0.00 0.00 54.97 54.22 3n2l s GLU 64 Cb -0.29 -3.29 0.03 0.00 0.00 0.00 0.00 34.13 30.58 3n2l s GLU 64 CO 0.24 0.48 0.36 -0.59 0.02 0.00 0.00 175.26 175.78 3n2l s PHE 65 N -0.92 -0.16 -0.07 5.30 -0.71 -1.26 -4.90 117.98 115.26 3n2l s PHE 65 Ca 0.39 -0.02 0.15 0.00 -1.04 0.00 0.00 56.93 56.42 3n2l s PHE 65 Cb -0.24 0.17 -0.23 0.00 -1.21 0.00 0.00 43.02 41.51 3n2l s PHE 65 CO 0.28 -0.58 0.25 -0.25 -1.34 0.00 0.00 175.22 173.58 3n2l n ASP 66 N 0.28 1.22 -3.78 1.98 8.00 0.11 -4.99 116.55 119.37 3n2l n ASP 66 Ca -0.18 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.20 3n2l n ASP 66 Cb 0.61 1.43 -0.13 0.00 -0.02 0.00 0.00 41.12 43.01 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 -2.86 -0.02 -0.22 2.53 1.01 -1.00 -4.16 120.40 115.69 3n2l s VAL 67 Ca -0.07 0.06 -0.12 0.00 0.00 0.00 0.00 61.98 61.85 3n2l s VAL 67 Cb 0.08 -0.29 -0.05 0.00 0.00 0.00 0.00 36.38 36.12 3n2l s VAL 67 CO 0.66 0.02 0.21 -0.22 0.00 0.00 0.00 175.10 175.78 3n2l s LEU 68 N 0.51 4.15 -0.06 3.92 2.96 -0.38 -1.10 118.68 128.66 3n2l s LEU 68 Ca -0.03 0.24 0.05 0.00 -0.22 0.00 0.00 54.13 54.16 3n2l s LEU 68 Cb -0.05 -2.20 -0.02 0.00 0.50 0.00 0.00 46.19 44.42 3n2l s LEU 68 CO -0.03 0.06 -0.20 0.12 -1.32 0.00 0.00 176.35 174.98 3n2l s PHE 69 N 0.96 2.56 -0.22 5.38 5.36 0.46 -0.91 117.98 131.58 3n2l s PHE 69 Ca 0.10 -0.53 0.01 0.00 -0.96 0.00 0.00 56.93 55.55 3n2l s PHE 69 Cb -0.13 -1.64 0.03 0.00 -0.34 0.00 0.00 43.02 40.94 3n2l s PHE 69 CO 0.04 -0.09 -0.14 0.20 -1.46 0.00 0.00 175.22 173.77 3n2l s GLY 70 N -0.27 1.52 0.25 13.12 0.00 -0.73 -0.61 107.32 120.60 3n2l s GLY 70 Ca 0.00 -1.44 -0.30 0.00 0.00 0.00 0.00 44.72 42.99 3n2l s GLY 70 CO 0.03 0.43 1.22 -4.14 0.00 0.00 0.00 173.10 170.63 3n2l s PRO 71 N 1.24 4.48 0.34 2.90 0.02 -1.26 -3.80 135.00 138.92 3n2l s PRO 71 Ca -0.00 1.97 -0.29 0.00 0.02 0.00 0.00 61.00 62.70 3n2l s PRO 71 Cb -0.16 -3.18 -0.11 0.00 0.02 0.00 0.00 34.50 31.08 3n2l s PRO 71 CO -0.09 -0.05 1.47 0.00 -0.33 0.00 0.00 177.00 178.00 3n2l s ALA 72 N -0.62 3.60 -0.17 -1.55 0.00 -1.26 -1.00 121.76 120.77 3n2l s ALA 72 Ca 0.50 1.49 0.03 0.00 0.00 0.00 0.00 51.96 53.99 3n2l s ALA 72 Cb -0.35 -3.59 -0.12 0.00 0.00 0.00 0.00 23.12 19.06 3n2l s ALA 72 CO 0.42 -0.94 -0.12 0.66 0.00 0.00 0.00 175.76 175.78 3n2l n TYR 73 N 1.01 0.00 -0.25 0.00 4.02 -1.26 -4.73 117.16 115.95 3n2l n TYR 73 Ca 0.03 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.06 3n2l n TYR 73 Cb 0.39 -0.68 0.43 0.00 -0.02 0.00 0.00 39.34 39.47 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 0.56 0.00 -0.72 1.79 -1.98 -1.48 116.57 114.74 3n2l h LYS 74 Ca -0.39 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.03 3n2l h LYS 74 Cb 1.65 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 32.17 3n2l h LYS 74 CO -0.05 0.37 -0.06 0.78 -1.08 0.00 0.00 179.45 179.41 3n2l h GLY 75 N 0.58 0.00 0.40 3.86 0.00 -1.31 -3.25 103.07 103.34 3n2l h GLY 75 Ca 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.77 3n2l h GLY 75 CO -0.19 0.00 -0.02 -2.22 0.00 0.00 0.00 176.54 174.11 3n2l h ILE 76 N 0.00 1.34 0.00 2.60 2.04 -1.29 0.69 117.51 122.89 3n2l h ILE 76 Ca -0.00 -1.34 -0.07 0.00 1.00 0.00 0.00 64.86 64.44 3n2l h ILE 76 Cb 0.24 2.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 3n2l h ILE 76 CO 0.01 0.33 -0.34 1.55 0.00 0.00 0.00 178.15 179.70 3n2l h PRO 77 N -0.66 0.00 0.06 2.37 0.13 -1.71 -1.67 132.00 130.52 3n2l h PRO 77 Ca -0.01 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3n2l h PRO 77 Cb 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 3n2l h PRO 77 CO 0.01 0.34 -0.03 0.82 -0.23 0.00 0.00 178.00 178.91 3n2l h ILE 78 N 0.00 1.22 -0.85 -3.56 2.04 -1.56 -1.21 117.51 113.59 3n2l h ILE 78 Ca -0.00 -1.01 0.11 0.00 1.00 0.00 0.00 64.86 64.96 3n2l h ILE 78 Cb 0.65 1.88 -0.08 0.00 -0.74 0.00 0.00 36.82 38.53 3n2l h ILE 78 CO 0.04 0.25 0.49 0.00 0.00 0.00 0.00 178.15 178.93 3n2l h ALA 79 N 0.37 1.24 0.23 1.87 0.00 -0.80 -0.69 119.26 121.48 3n2l h ALA 79 Ca -0.01 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3n2l h ALA 79 Cb 0.47 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3n2l h ALA 79 CO 0.01 0.09 -0.11 1.15 0.00 0.00 0.00 179.25 180.39 3n2l h THR 80 N 0.80 0.81 -0.11 0.00 2.02 -1.14 -0.14 112.91 115.14 3n2l h THR 80 Ca 0.42 -0.21 -0.14 0.00 0.77 0.00 0.00 66.41 67.24 3n2l h THR 80 Cb 0.42 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 3n2l h THR 80 CO -0.27 0.05 -0.54 0.00 0.37 0.00 0.00 175.52 175.13 3n2l h THR 81 N -0.42 1.35 -0.41 3.16 1.03 -1.11 -1.53 112.91 114.98 3n2l h THR 81 Ca -0.03 -1.83 -0.04 0.00 -0.01 0.00 0.00 66.41 64.50 3n2l h THR 81 Cb 0.32 1.86 -0.02 0.00 -1.07 0.00 0.00 68.15 69.25 3n2l h THR 81 CO 0.05 0.55 0.10 0.74 -0.01 0.00 0.00 175.52 176.95 3n2l h THR 82 N 0.26 1.23 -0.69 0.00 2.02 -1.06 0.39 112.91 115.06 3n2l h THR 82 Ca 0.00 -0.80 -0.04 0.00 0.77 0.00 0.00 66.41 66.34 3n2l h THR 82 Cb 1.04 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 68.38 3n2l h THR 82 CO 0.09 0.28 0.27 0.00 0.37 0.00 0.00 175.52 176.53 3n2l h ALA 83 N 0.95 0.90 -0.44 6.16 0.00 -0.73 -0.38 119.26 125.72 3n2l h ALA 83 Ca 0.13 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3n2l h ALA 83 Cb 0.32 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3n2l h ALA 83 CO 0.00 0.53 0.28 0.28 0.00 0.00 0.00 179.25 180.34 3n2l h VAL 84 N 0.99 1.09 -0.48 0.00 2.07 -0.92 -2.06 116.25 116.94 3n2l h VAL 84 Ca 0.23 -0.20 -0.09 0.00 0.82 0.00 0.00 66.70 67.46 3n2l h VAL 84 Cb 0.22 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3n2l h VAL 84 CO -0.02 0.10 -0.05 0.00 0.02 0.00 0.00 177.57 177.63 3n2l h ALA 85 N 1.17 0.66 -0.90 1.67 0.00 -0.51 0.35 119.26 121.70 3n2l h ALA 85 Ca 0.17 -0.31 0.12 0.00 0.00 0.00 0.00 54.91 54.89 3n2l h ALA 85 Cb -0.05 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.50 3n2l h ALA 85 CO -0.05 0.51 0.58 -0.07 0.00 0.00 0.00 179.25 180.22 3n2l h LEU 86 N 0.74 0.74 0.14 0.00 3.38 -0.89 0.20 115.31 119.62 3n2l h LEU 86 Ca 0.13 0.03 -0.23 0.00 0.09 0.00 0.00 57.88 57.90 3n2l h LEU 86 Cb 0.58 -0.12 0.03 0.00 0.09 0.00 0.00 40.66 41.25 3n2l h LEU 86 CO 0.04 0.40 -1.00 0.00 0.09 0.00 0.00 178.44 177.97 3n2l h ALA 87 N 1.58 -0.07 0.12 1.53 0.00 -0.77 -0.06 119.26 121.60 3n2l h ALA 87 Ca 0.44 -0.72 -0.28 0.00 0.00 0.00 0.00 54.91 54.35 3n2l h ALA 87 Cb 0.56 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.47 3n2l h ALA 87 CO -0.20 0.50 -1.22 -0.44 0.00 0.00 0.00 179.25 177.89 3n2l h ASP 88 N -0.10 0.57 -0.00 0.00 3.32 -0.72 -3.15 116.42 116.34 3n2l h ASP 88 Ca -0.16 -0.56 0.00 0.00 0.02 0.00 0.00 57.03 56.32 3n2l h ASP 88 Cb 1.75 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 41.12 3n2l h ASP 88 CO 0.19 1.41 -0.57 1.41 -1.72 0.00 0.00 179.24 179.96 3n2l n HIS 89 N -3.64 0.00 -0.68 4.55 8.25 0.68 -4.64 115.22 119.75 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 0.99 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.10 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 -1.11 0.00 -4.17 4.41 8.25 -1.00 -5.03 115.22 116.57 3n2l n HIS 90 Ca 0.03 -0.10 -0.34 0.00 -0.26 0.00 0.00 57.72 57.06 3n2l n HIS 90 Cb 0.23 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.29 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 -0.10 -2.29 -4.10 0.41 4.64 -0.96 -4.93 116.55 109.22 3n2l n ASP 91 Ca 0.00 -1.03 -0.33 0.00 -1.38 0.00 0.00 54.79 52.05 3n2l n ASP 91 Cb 0.33 -2.73 -0.15 0.00 -1.04 0.00 0.00 41.12 37.53 3n2l n ASP 91 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 3n2l s VAL 92 N -3.52 2.46 -0.77 5.18 1.01 -0.07 -4.98 120.40 119.70 3n2l s VAL 92 Ca 0.52 -1.58 -0.11 0.00 0.00 0.00 0.00 61.98 60.81 3n2l s VAL 92 Cb -0.28 -2.45 0.20 0.00 0.00 0.00 0.00 36.38 33.85 3n2l s VAL 92 CO 0.93 -0.08 0.69 -0.62 0.00 0.00 0.00 175.10 176.02 3n2l s ASP 93 N 1.15 6.39 -0.10 3.32 3.68 -1.26 -2.27 116.67 127.57 3n2l s ASP 93 Ca -0.07 -2.72 -0.08 0.00 2.13 0.00 0.00 52.55 51.81 3n2l s ASP 93 Cb -0.20 -2.12 -0.04 0.00 -1.45 0.00 0.00 42.92 39.10 3n2l s ASP 93 CO -0.04 -0.53 0.18 0.28 0.13 0.00 0.00 175.17 175.20 3n2l s THR 94 N 0.13 5.43 0.55 1.71 -1.32 -1.26 -5.06 115.64 115.82 3n2l s THR 94 Ca 0.17 0.31 -0.21 0.00 -1.21 0.00 0.00 61.69 60.75 3n2l s THR 94 Cb -0.13 -3.45 -0.05 0.00 -1.51 0.00 0.00 72.50 67.36 3n2l s THR 94 CO -0.07 0.61 1.28 -2.65 -2.21 0.00 0.00 174.62 171.58 3n2l n PRO 95 N 1.95 1.54 -4.24 7.08 -0.02 -1.26 -4.86 135.00 135.20 3n2l n PRO 95 Ca -0.19 0.57 -0.15 0.00 -2.02 0.00 0.00 63.50 61.71 3n2l n PRO 95 Cb 0.55 -2.48 -0.10 0.00 -0.02 0.00 0.00 33.50 31.44 3n2l n PRO 95 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3n2l s TYR 96 N -1.32 1.28 -0.01 6.00 1.13 -1.26 -1.25 117.35 121.92 3n2l s TYR 96 Ca 0.72 -0.67 -0.20 0.00 -1.41 0.00 0.00 57.07 55.51 3n2l s TYR 96 Cb -0.43 -0.66 0.04 0.00 -1.10 0.00 0.00 41.96 39.81 3n2l s TYR 96 CO 0.49 0.10 0.42 0.00 -2.51 0.00 0.00 175.55 174.05 3n2l s PHE 98 N -1.56 0.49 0.19 0.00 -0.12 0.57 -1.77 117.98 115.77 3n2l s PHE 98 Ca -0.11 -0.86 0.07 0.00 -0.05 0.00 0.00 56.93 55.98 3n2l s PHE 98 Cb -0.03 -0.15 -0.04 0.00 -0.63 0.00 0.00 43.02 42.17 3n2l s PHE 98 CO 0.04 -0.67 0.07 0.54 -0.05 0.00 0.00 175.22 175.16 3n2l s ASN 99 N -2.98 5.13 0.57 1.98 4.22 -1.25 0.04 114.94 122.65 3n2l s ASN 99 Ca 0.18 -0.30 0.09 0.00 -2.14 0.00 0.00 52.86 50.70 3n2l s ASN 99 Cb 0.04 -1.21 0.08 0.00 1.28 0.00 0.00 41.25 41.44 3n2l s ASN 99 CO -0.00 0.06 0.76 -0.13 -2.04 0.00 0.00 177.10 175.75 3n2l s ARG 100 N -3.17 2.31 -0.42 3.55 0.52 -1.26 -4.15 118.95 116.34 3n2l s ARG 100 Ca 0.30 -1.67 0.09 0.00 -0.52 0.00 0.00 55.73 53.93 3n2l s ARG 100 Cb -0.09 -2.61 0.42 0.00 0.52 0.00 0.00 34.95 33.19 3n2l s ARG 100 CO 0.21 -0.84 1.03 1.63 0.02 0.00 0.00 175.30 177.35 3n2l n LYS 101 N -2.21 2.60 -3.73 3.54 5.02 -1.26 -4.95 118.16 117.17 3n2l n LYS 101 Ca 0.14 -4.11 -0.35 0.00 -2.02 0.00 0.00 58.31 51.97 3n2l n LYS 101 Cb 0.62 -1.92 -0.08 0.00 -0.02 0.00 0.00 35.03 33.63 3n2l n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3n2l s LEU 112 N -3.35 4.22 0.02 -0.35 1.43 -1.26 -5.26 118.68 114.13 3n2l s LEU 112 Ca 0.41 0.24 0.07 0.00 -1.03 0.00 0.00 54.13 53.83 3n2l s LEU 112 Cb 0.40 -2.09 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 3n2l s LEU 112 CO -0.11 0.19 -0.21 -0.69 0.23 0.00 0.00 176.35 175.76 3n2l s VAL 113 N 0.30 1.67 0.00 -1.59 1.01 0.11 -4.98 120.40 116.92 3n2l s VAL 113 Ca 0.08 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 60.98 3n2l s VAL 113 Cb -0.11 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.85 3n2l s VAL 113 CO -0.02 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.01 3n2l n GLY 114 N 2.13 0.25 3.82 4.51 0.00 -1.26 -0.32 105.19 114.32 3n2l n GLY 114 Ca -0.16 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.64 3n2l n GLY 114 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3n2l s SER 115 N -4.00 5.58 0.34 1.61 0.01 0.16 -4.98 113.70 112.42 3n2l s SER 115 Ca 0.00 1.67 -0.29 0.00 1.31 0.00 0.00 55.95 58.64 3n2l s SER 115 Cb 0.00 -2.51 -0.11 0.00 0.21 0.00 0.00 66.02 63.61 3n2l s SER 115 CO 0.00 -1.31 1.54 0.29 0.41 0.00 0.00 173.24 174.17 3n2l n LYS 116 N -2.72 2.68 -2.61 12.44 4.76 -1.26 -4.71 118.16 126.74 3n2l n LYS 116 Ca 0.08 0.95 -0.43 0.00 -2.87 0.00 0.00 58.31 56.04 3n2l n LYS 116 Cb 0.53 -2.70 -0.01 0.00 -1.84 0.00 0.00 35.03 31.01 3n2l n LYS 116 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3n2l s LEU 117 N -1.26 3.87 -0.03 -0.35 2.96 -1.26 -4.94 118.68 117.67 3n2l s LEU 117 Ca 0.58 -2.20 0.07 0.00 -0.22 0.00 0.00 54.13 52.37 3n2l s LEU 117 Cb -0.49 -2.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.63 3n2l s LEU 117 CO 0.56 -1.23 -0.24 -1.61 -1.32 0.00 0.00 176.35 172.51 3n2l s GLU 118 N 4.20 2.12 3.42 1.98 0.41 -1.26 -4.58 118.70 124.99 3n2l s GLU 118 Ca 0.50 -0.87 0.00 0.00 -0.41 0.00 0.00 54.97 54.19 3n2l s GLU 118 Cb 0.02 -1.97 0.00 0.00 -1.78 0.00 0.00 34.13 30.40 3n2l s GLU 118 CO 0.02 0.48 0.00 0.41 -0.49 0.00 0.00 175.26 175.68 3n2l n GLY 119 N 2.63 -0.08 3.62 -1.39 0.00 -1.26 -4.64 105.19 104.08 3n2l n GLY 119 Ca -0.16 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 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 4.03 -0.25 1.61 0.52 -1.26 -0.30 118.95 123.31 3n2l s ARG 120 Ca 0.00 0.77 -0.08 0.00 -0.52 0.00 0.00 55.73 55.89 3n2l s ARG 120 Cb 0.00 -3.71 -0.04 0.00 0.52 0.00 0.00 34.95 31.72 3n2l s ARG 120 CO 0.00 -0.69 0.11 0.08 0.02 0.00 0.00 175.30 174.82 3n2l s VAL 121 N 3.07 4.70 -0.26 3.52 1.01 0.23 0.06 120.40 132.73 3n2l s VAL 121 Ca 0.36 -0.04 -0.13 0.00 0.00 0.00 0.00 61.98 62.17 3n2l s VAL 121 Cb -0.14 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 3n2l s VAL 121 CO 0.12 0.33 0.27 -0.32 0.00 0.00 0.00 175.10 175.50 3n2l s MET 122 N 1.47 4.02 0.16 2.72 1.75 -0.26 -0.44 119.30 128.72 3n2l s MET 122 Ca 0.06 -0.12 -0.11 0.00 -1.25 0.00 0.00 55.69 54.27 3n2l s MET 122 Cb -0.15 -3.63 -0.07 0.00 2.84 0.00 0.00 34.83 33.83 3n2l s MET 122 CO 0.05 -0.16 0.51 -0.51 -0.65 0.00 0.00 175.02 174.26 3n2l s LEU 123 N 1.71 4.27 -0.03 4.11 1.43 -0.09 -0.40 118.68 129.68 3n2l s LEU 123 Ca 0.11 0.92 0.01 0.00 -1.03 0.00 0.00 54.13 54.15 3n2l s LEU 123 Cb -0.15 -3.37 0.02 0.00 0.03 0.00 0.00 46.19 42.71 3n2l s LEU 123 CO 0.09 0.05 -0.04 0.68 0.23 0.00 0.00 176.35 177.35 3n2l s VAL 124 N -1.60 0.48 0.36 -1.59 -7.23 0.22 -0.36 120.40 110.68 3n2l s VAL 124 Ca 0.41 -0.14 -0.08 0.00 -1.81 0.00 0.00 61.98 60.36 3n2l s VAL 124 Cb -0.13 -0.49 0.03 0.00 0.56 0.00 0.00 36.38 36.36 3n2l s VAL 124 CO 0.20 0.19 0.62 -0.67 -0.31 0.00 0.00 175.10 175.13 3n2l n ASP 125 N 3.74 -1.76 -0.00 4.85 4.64 -0.64 -4.16 116.55 123.21 3n2l n ASP 125 Ca -0.22 -2.70 -0.20 0.00 -1.38 0.00 0.00 54.79 50.28 3n2l n ASP 125 Cb 0.53 3.07 -0.14 0.00 -1.04 0.00 0.00 41.12 43.54 3n2l n ASP 125 CO 0.00 0.00 0.00 -2.24 -0.82 0.00 0.00 177.20 174.14 3n2l h ASP 126 N 1.92 0.32 -5.22 1.67 2.03 -1.89 -3.28 116.42 111.96 3n2l h ASP 126 Ca -0.29 -0.86 -0.10 0.00 -0.73 0.00 0.00 57.03 55.05 3n2l h ASP 126 Cb 1.18 -0.10 -0.14 0.00 -0.83 0.00 0.00 39.33 39.44 3n2l h ASP 126 CO 0.38 1.48 -0.42 0.68 -1.03 0.00 0.00 179.24 180.34 3n2l s VAL 127 N -2.42 0.13 -0.40 4.15 -7.23 -1.26 -1.27 120.40 112.09 3n2l s VAL 127 Ca -0.19 -1.39 -0.09 0.00 -1.81 0.00 0.00 61.98 58.50 3n2l s VAL 127 Cb 0.03 -1.57 0.07 0.00 0.56 0.00 0.00 36.38 35.47 3n2l s VAL 127 CO 0.75 -0.58 0.23 -0.63 -0.31 0.00 0.00 175.10 174.57 3n2l s ILE 128 N -3.92 4.16 0.00 -0.62 1.01 -1.26 -5.01 121.20 115.56 3n2l s ILE 128 Ca 0.10 -1.33 0.00 0.00 0.00 0.00 0.00 60.65 59.42 3n2l s ILE 128 Cb 0.05 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 39.01 3n2l s ILE 128 CO -0.07 -0.44 0.37 0.41 0.00 0.00 0.00 174.94 175.22 3n2l n THR 129 N 4.90 0.00 0.44 2.92 -1.04 -1.26 -4.95 114.28 115.29 3n2l n THR 129 Ca -0.10 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 61.95 3n2l n THR 129 Cb 0.43 0.04 -0.05 0.00 -1.82 0.00 0.00 70.33 68.93 3n2l n THR 129 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3n2l n THR 132 N 0.00 0.00 -0.24 12.58 -2.24 -1.26 -5.15 114.28 117.97 3n2l n THR 132 Ca -0.02 -0.28 -0.01 0.00 -2.27 0.00 0.00 64.05 61.46 3n2l n THR 132 Cb 0.36 1.00 0.10 0.00 -2.10 0.00 0.00 70.33 69.69 3n2l n THR 132 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3n2l h ALA 133 N 1.33 0.92 0.21 6.98 0.00 -1.99 0.34 119.26 127.05 3n2l h ALA 133 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3n2l h ALA 133 Cb 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3n2l h ALA 133 CO 0.00 0.08 -0.17 0.82 0.00 0.00 0.00 179.25 179.97 3n2l h ILE 134 N 0.72 0.62 -0.46 0.00 2.04 -1.95 -1.65 117.51 116.83 3n2l h ILE 134 Ca 0.30 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.18 3n2l h ILE 134 Cb 0.18 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 3n2l h ILE 134 CO -0.18 0.00 0.29 -0.09 0.00 0.00 0.00 178.15 178.18 3n2l h ARG 135 N -0.40 0.58 -0.84 2.37 2.43 -1.64 0.15 114.38 117.03 3n2l h ARG 135 Ca -0.01 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.18 3n2l h ARG 135 Cb 0.36 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.72 3n2l h ARG 135 CO -0.02 0.38 0.52 0.93 -1.51 0.00 0.00 179.97 180.27 3n2l h GLU 136 N 0.60 0.93 -0.39 0.20 5.08 -0.32 -0.50 114.58 120.17 3n2l h GLU 136 Ca 0.18 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 3n2l h GLU 136 Cb -0.03 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 3n2l h GLU 136 CO -0.06 0.62 0.06 0.77 -1.00 0.00 0.00 179.01 179.40 3n2l h SER 137 N 0.96 0.62 -0.06 1.42 0.02 -0.09 0.27 113.55 116.69 3n2l h SER 137 Ca 0.36 -0.26 -0.06 0.00 -0.84 0.00 0.00 61.79 60.99 3n2l h SER 137 Cb 0.15 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 3n2l h SER 137 CO -0.16 0.73 -0.14 0.24 -1.14 0.00 0.00 176.83 176.35 3n2l h MET 138 N 0.49 0.38 -0.29 3.45 2.86 -0.38 0.37 114.93 121.82 3n2l h MET 138 Ca 0.12 -0.10 -0.08 0.00 -2.06 0.00 0.00 59.70 57.58 3n2l h MET 138 Cb 0.37 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 3n2l h MET 138 CO 0.01 0.52 -0.12 0.93 1.06 0.00 0.00 176.91 179.31 3n2l h GLU 139 N 0.36 0.59 -0.54 1.72 5.08 -0.83 -2.03 114.58 118.92 3n2l h GLU 139 Ca 0.07 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.13 3n2l h GLU 139 Cb 0.46 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3n2l h GLU 139 CO 0.03 0.81 0.11 1.25 -1.00 0.00 0.00 179.01 180.21 3n2l h LEU 140 N 0.34 0.79 -0.29 1.33 5.85 -0.36 -0.11 115.31 122.87 3n2l h LEU 140 Ca 0.07 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3n2l h LEU 140 Cb 0.62 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3n2l h LEU 140 CO 0.04 0.79 0.16 0.40 -0.34 0.00 0.00 178.44 179.49 3n2l h ILE 141 N 0.81 1.12 -0.20 4.05 2.04 -0.82 -2.18 117.51 122.33 3n2l h ILE 141 Ca 0.17 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 3n2l h ILE 141 Cb 0.32 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3n2l h ILE 141 CO 0.00 0.12 -0.03 1.56 0.00 0.00 0.00 178.15 179.80 3n2l h GLN 142 N 0.35 0.38 -0.93 2.37 4.20 -0.98 -2.59 115.11 117.91 3n2l h GLN 142 Ca 0.10 -0.14 0.19 0.00 0.06 0.00 0.00 58.65 58.86 3n2l h GLN 142 Cb 0.06 -0.03 -0.08 0.00 0.30 0.00 0.00 27.48 27.73 3n2l h GLN 142 CO -0.02 0.62 0.60 0.00 -0.67 0.00 0.00 178.83 179.36 3n2l h ALA 143 N 0.75 1.98 -0.07 3.87 0.00 -0.97 0.30 119.26 125.12 3n2l h ALA 143 Ca 0.05 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3n2l h ALA 143 Cb 0.47 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3n2l h ALA 143 CO 0.02 -0.28 0.00 0.09 0.00 0.00 0.00 179.25 179.08 3n2l n ASN 144 N -4.59 0.57 -2.44 0.00 3.02 -0.83 -4.91 115.26 106.09 3n2l n ASN 144 Ca 0.20 -2.02 -0.21 0.00 -0.03 0.00 0.00 54.58 52.52 3n2l n ASN 144 Cb 0.61 -0.13 -0.01 0.00 -0.61 0.00 0.00 39.78 39.65 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 -0.23 -1.89 -3.64 3.52 5.02 0.10 -4.94 118.16 116.11 3n2l n LYS 145 Ca 0.02 1.01 -0.21 0.00 -2.02 0.00 0.00 58.31 57.11 3n2l n LYS 145 Cb 0.11 -5.69 -0.04 0.00 -0.02 0.00 0.00 35.03 29.40 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 -3.05 3.99 -0.04 7.82 0.00 -1.00 -4.75 121.76 124.73 3n2l s ALA 146 Ca 0.02 -1.88 0.00 0.00 0.00 0.00 0.00 51.96 50.10 3n2l s ALA 146 Cb -0.01 -0.98 -0.03 0.00 0.00 0.00 0.00 23.12 22.10 3n2l s ALA 146 CO 0.02 -0.19 -0.01 -0.51 0.00 0.00 0.00 175.76 175.07 3n2l s ASP 147 N -4.09 5.09 -0.25 0.00 1.01 0.59 -4.36 116.67 114.66 3n2l s ASP 147 Ca 0.47 0.04 -0.21 0.00 0.71 0.00 0.00 52.55 53.56 3n2l s ASP 147 Cb -0.03 -1.35 -0.02 0.00 1.01 0.00 0.00 42.92 42.53 3n2l s ASP 147 CO 0.27 0.32 0.64 -0.76 0.21 0.00 0.00 175.17 175.86 3n2l s LEU 148 N -1.25 4.07 0.05 1.23 1.43 -1.26 0.74 118.68 123.69 3n2l s LEU 148 Ca 0.17 0.74 0.09 0.00 -1.03 0.00 0.00 54.13 54.09 3n2l s LEU 148 Cb -0.11 -2.88 -0.22 0.00 0.03 0.00 0.00 46.19 43.00 3n2l s LEU 148 CO 0.07 -0.37 1.02 0.00 0.23 0.00 0.00 176.35 177.29 3n2l h ALA 149 N 7.85 0.51 0.00 4.21 0.00 -1.05 -3.43 119.26 127.35 3n2l h ALA 149 Ca -0.27 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.50 3n2l h ALA 149 Cb 1.12 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3n2l h ALA 149 CO 0.78 1.38 0.00 0.41 0.00 0.00 0.00 179.25 181.82 3n2l n GLY 150 N 1.44 0.27 2.98 0.00 0.00 -1.22 -3.94 105.19 104.73 3n2l n GLY 150 Ca -0.07 -1.20 -0.24 0.00 0.00 0.00 0.00 46.02 44.51 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 0.98 -0.15 1.61 1.01 -0.03 -0.92 120.40 120.89 3n2l s VAL 151 Ca 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 3n2l s VAL 151 Cb 0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 3n2l s VAL 151 CO 0.00 0.32 -0.12 -0.22 0.00 0.00 0.00 175.10 175.08 3n2l s LEU 152 N 0.79 2.67 0.40 3.92 2.96 0.51 -0.52 118.68 129.41 3n2l s LEU 152 Ca -0.13 -0.38 0.07 0.00 -0.22 0.00 0.00 54.13 53.48 3n2l s LEU 152 Cb -0.15 -1.62 -0.08 0.00 0.50 0.00 0.00 46.19 44.84 3n2l s LEU 152 CO 0.02 0.11 -0.01 0.68 -1.32 0.00 0.00 176.35 175.84 3n2l s VAL 153 N 0.68 2.04 -0.01 1.68 -7.23 0.12 -1.63 120.40 116.05 3n2l s VAL 153 Ca -0.06 -2.03 -0.25 0.00 -1.81 0.00 0.00 61.98 57.82 3n2l s VAL 153 Cb -0.15 -2.94 -0.19 0.00 0.56 0.00 0.00 36.38 33.65 3n2l s VAL 153 CO 0.02 -0.03 1.30 0.00 -0.31 0.00 0.00 175.10 176.08 3n2l h ALA 154 N 1.81 -0.03 -2.70 1.32 0.00 -1.25 -0.99 119.26 117.42 3n2l h ALA 154 Ca -0.44 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.12 3n2l h ALA 154 Cb 1.24 0.01 -0.19 0.00 0.00 0.00 0.00 17.79 18.85 3n2l h ALA 154 CO 0.79 -0.30 -0.52 -1.50 0.00 0.00 0.00 179.25 177.72 3n2l s ILE 155 N -4.46 0.11 0.23 0.00 2.07 -1.25 -1.79 121.20 116.11 3n2l s ILE 155 Ca -0.15 -0.88 -0.23 0.00 -1.41 0.00 0.00 60.65 57.98 3n2l s ILE 155 Cb 0.02 -0.63 0.04 0.00 0.13 0.00 0.00 42.46 42.02 3n2l s ILE 155 CO 0.66 -0.49 0.82 1.51 -1.91 0.00 0.00 174.94 175.53 3n2l s ASP 156 N -1.73 -0.22 -0.21 4.50 -4.77 -1.10 -4.70 116.67 108.43 3n2l s ASP 156 Ca -0.10 -0.53 -0.16 0.00 -3.30 0.00 0.00 52.55 48.45 3n2l s ASP 156 Cb -0.05 0.63 -0.04 0.00 -1.09 0.00 0.00 42.92 42.38 3n2l s ASP 156 CO -0.01 -1.17 0.43 -0.13 0.70 0.00 0.00 175.17 174.98 3n2l s ARG 157 N -3.66 4.15 -0.75 2.11 3.00 -1.26 -1.80 118.95 120.74 3n2l s ARG 157 Ca 0.12 0.23 0.04 0.00 0.00 0.00 0.00 55.73 56.11 3n2l s ARG 157 Cb -0.04 -3.56 0.18 0.00 0.00 0.00 0.00 34.95 31.53 3n2l s ARG 157 CO 0.05 -0.11 0.57 1.04 0.00 0.00 0.00 175.30 176.86 3n2l n GLN 158 N 4.71 2.06 0.00 3.54 6.02 -1.26 -4.91 117.38 127.53 3n2l n GLN 158 Ca -0.07 -4.50 0.00 0.00 -0.01 0.00 0.00 57.00 52.41 3n2l n GLN 158 Cb 0.51 -2.32 0.00 0.00 1.02 0.00 0.00 30.24 29.45 3n2l n GLN 158 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3n2l n ALA 167 N 1.98 0.00 -0.03 -1.58 0.00 -1.26 -5.15 120.51 114.47 3n2l n ALA 167 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.52 3n2l n ALA 167 Cb 0.36 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.73 3n2l n ALA 167 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 3n2l h ILE 168 N 0.00 1.31 0.00 0.00 3.07 -1.92 -3.06 117.51 116.91 3n2l h ILE 168 Ca 0.00 -1.00 -0.05 0.00 1.55 0.00 0.00 64.86 65.35 3n2l h ILE 168 Cb 0.00 1.81 -0.01 0.00 -0.27 0.00 0.00 36.82 38.35 3n2l h ILE 168 CO 0.00 0.28 -0.25 1.56 -1.05 0.00 0.00 178.15 178.69 3n2l h GLN 169 N -0.19 0.00 -0.02 0.16 4.20 -1.99 -2.03 115.11 115.25 3n2l h GLN 169 Ca 0.02 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.49 3n2l h GLN 169 Cb 0.46 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.25 3n2l h GLN 169 CO 0.01 0.25 -0.96 1.05 -0.67 0.00 0.00 178.83 178.50 3n2l h GLU 170 N 0.00 0.60 -0.58 1.46 4.11 -1.98 -0.53 114.58 117.66 3n2l h GLU 170 Ca -0.00 -0.62 -0.05 0.00 0.07 0.00 0.00 59.36 58.76 3n2l h GLU 170 Cb 0.44 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 3n2l h GLU 170 CO 0.03 1.23 0.16 0.28 0.07 0.00 0.00 179.01 180.78 3n2l h VAL 171 N 0.35 1.23 0.53 -1.06 2.07 -1.43 -0.75 116.25 117.19 3n2l h VAL 171 Ca -0.10 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 3n2l h VAL 171 Cb 1.60 0.62 0.01 0.00 -1.52 0.00 0.00 31.29 32.00 3n2l h VAL 171 CO 0.18 0.31 -0.25 -0.08 0.02 0.00 0.00 177.57 177.74 3n2l h GLU 172 N 0.85 -0.68 -0.18 1.57 4.57 -1.11 -2.26 114.58 117.33 3n2l h GLU 172 Ca 0.19 0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.38 3n2l h GLU 172 Cb 0.28 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 3n2l h GLU 172 CO -0.00 -0.41 -0.03 -0.09 -1.18 0.00 0.00 179.01 177.30 3n2l h ARG 173 N -0.82 0.34 -0.28 1.92 9.65 -1.03 -1.59 114.38 122.58 3n2l h ARG 173 Ca -0.07 -0.12 0.02 0.00 -1.10 0.00 0.00 59.98 58.71 3n2l h ARG 173 Cb 0.59 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.12 3n2l h ARG 173 CO 0.12 0.58 0.12 -0.44 2.80 0.00 0.00 179.97 183.15 3n2l h ASP 174 N 0.07 0.17 -0.01 -3.80 3.32 -1.17 -3.28 116.42 111.72 3n2l h ASP 174 Ca 0.05 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3n2l h ASP 174 Cb 0.45 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3n2l h ASP 174 CO 0.01 0.13 -0.26 0.49 -1.72 0.00 0.00 179.24 177.90 3n2l n PHE 175 N -4.99 0.00 -2.84 4.55 3.72 -0.85 -5.01 117.46 112.04 3n2l n PHE 175 Ca -0.01 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.30 3n2l n PHE 175 Cb 0.08 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.65 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 1.10 0.33 3.34 1.37 0.00 -0.61 -4.77 105.19 105.95 3n2l n GLY 176 Ca 0.07 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.92 3.17 -0.25 0.00 0.00 -1.25 -4.28 121.76 115.23 3n2l s ALA 178 Ca 0.13 0.28 -0.02 0.00 0.00 0.00 0.00 51.96 52.35 3n2l s ALA 178 Cb 0.03 -3.01 0.03 0.00 0.00 0.00 0.00 23.12 20.17 3n2l s ALA 178 CO -0.03 0.21 -0.06 0.08 0.00 0.00 0.00 175.76 175.96 3n2l s VAL 179 N -2.03 2.87 0.39 0.00 1.01 -1.26 -0.85 120.40 120.54 3n2l s VAL 179 Ca 0.57 -1.03 0.08 0.00 0.00 0.00 0.00 61.98 61.60 3n2l s VAL 179 Cb -0.11 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 3n2l s VAL 179 CO 0.16 0.19 0.20 0.27 0.00 0.00 0.00 175.10 175.92 3n2l s ILE 180 N 1.32 2.57 0.12 2.22 -4.36 0.32 -4.96 121.20 118.43 3n2l s ILE 180 Ca 0.00 -1.64 -0.09 0.00 -0.26 0.00 0.00 60.65 58.66 3n2l s ILE 180 Cb -0.17 -2.99 -0.00 0.00 1.25 0.00 0.00 42.46 40.55 3n2l s ILE 180 CO -0.04 -0.05 0.23 -0.94 0.24 0.00 0.00 174.94 174.37 3n2l s SER 181 N -3.92 0.07 0.12 4.36 1.04 -1.26 -0.70 113.70 113.41 3n2l s SER 181 Ca 0.41 -0.71 -0.14 0.00 0.48 0.00 0.00 55.95 55.99 3n2l s SER 181 Cb 0.01 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 3n2l s SER 181 CO 0.23 -0.79 1.51 0.40 0.98 0.00 0.00 173.24 175.58 3n2l h ILE 182 N 2.66 1.28 -3.99 -1.02 2.04 -0.64 -3.46 117.51 114.36 3n2l h ILE 182 Ca -0.33 -1.21 -0.10 0.00 1.00 0.00 0.00 64.86 64.22 3n2l h ILE 182 Cb 1.21 1.28 -0.14 0.00 -0.74 0.00 0.00 36.82 38.43 3n2l h ILE 182 CO 0.53 0.40 -0.50 0.68 0.00 0.00 0.00 178.15 179.27 3n2l s VAL 183 N -4.74 0.17 0.39 1.67 -7.23 -0.74 -4.80 120.40 105.12 3n2l s VAL 183 Ca -0.13 -1.45 0.08 0.00 -1.81 0.00 0.00 61.98 58.67 3n2l s VAL 183 Cb 0.10 -1.44 -0.03 0.00 0.56 0.00 0.00 36.38 35.56 3n2l s VAL 183 CO 0.81 -0.77 0.29 -0.94 -0.31 0.00 0.00 175.10 174.18 3n2l s SER 184 N -2.89 4.93 0.33 4.85 1.04 -1.26 -2.73 113.70 117.97 3n2l s SER 184 Ca 0.07 -0.76 0.04 0.00 0.48 0.00 0.00 55.95 55.77 3n2l s SER 184 Cb 0.06 -0.66 0.65 0.00 0.10 0.00 0.00 66.02 66.17 3n2l s SER 184 CO -0.10 -0.52 1.92 0.25 0.98 0.00 0.00 173.24 175.78 3n2l h LEU 185 N 1.22 0.78 -1.04 2.42 5.85 -1.74 -0.77 115.31 122.04 3n2l h LEU 185 Ca -0.43 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.37 3n2l h LEU 185 Cb 1.26 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 42.07 3n2l h LEU 185 CO 0.61 0.49 0.64 0.74 -0.34 0.00 0.00 178.44 180.58 3n2l h THR 186 N 0.88 1.07 -0.42 1.05 2.02 -1.95 0.34 112.91 115.90 3n2l h THR 186 Ca 0.37 -0.39 -0.07 0.00 0.77 0.00 0.00 66.41 67.09 3n2l h THR 186 Cb 0.29 -0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.52 3n2l h THR 186 CO -0.14 0.21 -0.00 0.44 0.37 0.00 0.00 175.52 176.40 3n2l h ASP 187 N 1.14 0.74 -0.83 4.18 3.32 -1.55 -1.10 116.42 122.31 3n2l h ASP 187 Ca 0.43 -0.31 0.03 0.00 0.02 0.00 0.00 57.03 57.20 3n2l h ASP 187 Cb 0.19 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 3n2l h ASP 187 CO -0.17 0.87 0.54 -0.07 -1.72 0.00 0.00 179.24 178.68 3n2l h LEU 188 N 0.59 0.89 -0.04 1.55 3.38 -0.53 -0.14 115.31 121.00 3n2l h LEU 188 Ca 0.12 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3n2l h LEU 188 Cb 0.49 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 3n2l h LEU 188 CO 0.02 0.62 0.01 0.40 0.09 0.00 0.00 178.44 179.58 3n2l h ILE 189 N 1.05 1.20 -0.29 1.22 2.04 -0.76 -1.47 117.51 120.49 3n2l h ILE 189 Ca 0.33 -0.61 0.07 0.00 1.00 0.00 0.00 64.86 65.65 3n2l h ILE 189 Cb -0.00 1.53 -0.07 0.00 -0.74 0.00 0.00 36.82 37.53 3n2l h ILE 189 CO -0.11 0.17 -0.20 0.74 0.00 0.00 0.00 178.15 178.75 3n2l h THR 190 N -0.16 0.46 0.07 -0.27 2.02 -0.95 -1.69 112.91 112.39 3n2l h THR 190 Ca 0.01 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.22 3n2l h THR 190 Cb 0.26 0.46 -0.05 0.00 -1.74 0.00 0.00 68.15 67.08 3n2l h THR 190 CO 0.00 0.00 -0.36 0.22 0.37 0.00 0.00 175.52 175.75 3n2l h TYR 191 N -0.17 -1.00 -0.96 3.16 3.20 -0.92 -2.03 116.97 118.25 3n2l h TYR 191 Ca 0.15 0.03 0.20 0.00 3.14 0.00 0.00 58.73 62.25 3n2l h TYR 191 Cb 0.41 0.43 -0.08 0.00 1.54 0.00 0.00 36.73 39.02 3n2l h TYR 191 CO -0.38 -0.46 0.61 -0.07 -1.64 0.00 0.00 178.16 176.22 3n2l h LEU 192 N -0.56 0.58 -1.45 2.82 3.38 -0.95 -0.85 115.31 118.27 3n2l h LEU 192 Ca 0.04 0.07 0.14 0.00 0.09 0.00 0.00 57.88 58.22 3n2l h LEU 192 Cb 0.61 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 3n2l h LEU 192 CO -0.24 0.22 0.53 -0.33 0.09 0.00 0.00 178.44 178.71 3n2l h GLU 193 N 0.57 0.53 -0.01 1.13 5.08 -0.55 -3.51 114.58 117.82 3n2l h GLU 193 Ca 0.52 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.85 3n2l h GLU 193 Cb 1.07 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.20 3n2l h GLU 193 CO -0.27 0.35 0.00 0.00 -1.00 0.00 0.00 179.01 178.09