#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 2.87 0.17 3.17 3.01 -1.26 -4.87 119.74 122.84 3n2l s LYS 3 Ca 0.00 1.06 -0.18 0.00 -1.01 0.00 0.00 55.97 55.84 3n2l s LYS 3 Cb 0.00 -1.98 0.10 0.00 -1.01 0.00 0.00 37.83 34.94 3n2l s LYS 3 CO 0.00 -1.15 1.65 0.00 0.51 0.00 0.00 175.35 176.35 3n2l h ALA 4 N -0.54 0.16 0.00 5.17 0.00 -2.04 -0.30 119.26 121.72 3n2l h ALA 4 Ca -0.44 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3n2l h ALA 4 Cb 1.22 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 3n2l h ALA 4 CO 0.56 -0.52 -0.06 0.10 0.00 0.00 0.00 179.25 179.33 3n2l h TYR 5 N -0.08 0.00 -0.02 0.00 -0.00 -1.98 0.20 116.97 115.09 3n2l h TYR 5 Ca 0.20 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.87 3n2l h TYR 5 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.11 3n2l h TYR 5 CO -0.40 0.06 -0.20 1.96 -0.00 0.00 0.00 178.16 179.57 3n2l h GLN 6 N 0.00 0.18 -0.47 0.10 4.20 -1.42 0.20 115.11 117.89 3n2l h GLN 6 Ca -0.00 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.56 3n2l h GLN 6 Cb 0.13 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 3n2l h GLN 6 CO 0.01 0.85 0.30 -0.09 -0.67 0.00 0.00 178.83 179.22 3n2l h ARG 7 N -0.44 0.59 -0.45 1.46 2.43 -0.91 -2.20 114.38 114.87 3n2l h ARG 7 Ca -0.02 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 3n2l h ARG 7 Cb 0.90 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 3n2l h ARG 7 CO 0.04 0.39 0.02 0.93 -1.51 0.00 0.00 179.97 179.84 3n2l h GLU 8 N 0.61 0.77 -0.50 0.20 5.08 -0.96 -1.97 114.58 117.81 3n2l h GLU 8 Ca 0.18 -0.24 0.07 0.00 -1.00 0.00 0.00 59.36 58.37 3n2l h GLU 8 Cb -0.04 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.08 3n2l h GLU 8 CO -0.06 0.83 0.18 0.35 -1.00 0.00 0.00 179.01 179.31 3n2l h PHE 9 N 0.62 0.31 -0.08 4.33 3.57 -0.46 -0.92 116.94 124.30 3n2l h PHE 9 Ca 0.13 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 3n2l h PHE 9 Cb 0.46 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 3n2l h PHE 9 CO 0.04 0.10 0.04 0.82 -2.23 0.00 0.00 178.31 177.07 3n2l h ILE 10 N 0.35 1.12 -0.94 1.41 2.04 -1.23 0.65 117.51 120.92 3n2l h ILE 10 Ca 0.24 -0.37 0.05 0.00 1.00 0.00 0.00 64.86 65.78 3n2l h ILE 10 Cb 0.26 1.22 -0.06 0.00 -0.74 0.00 0.00 36.82 37.50 3n2l h ILE 10 CO -0.25 0.11 0.62 -0.08 0.00 0.00 0.00 178.15 178.55 3n2l h GLU 11 N -0.00 1.12 0.06 2.37 4.81 -1.21 -1.23 114.58 120.50 3n2l h GLU 11 Ca 0.03 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3n2l h GLU 11 Cb 0.14 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.27 3n2l h GLU 11 CO -0.00 0.74 -0.03 0.35 -0.73 0.00 0.00 179.01 179.34 3n2l h PHE 12 N 1.15 -0.07 -0.34 0.92 3.57 -0.70 -1.31 116.94 120.16 3n2l h PHE 12 Ca 0.38 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.80 3n2l h PHE 12 Cb 0.07 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 3n2l h PHE 12 CO -0.00 0.10 -0.14 0.00 -2.23 0.00 0.00 178.31 176.04 3n2l h ALA 13 N 0.70 1.12 -0.30 2.41 0.00 -0.67 -3.01 119.26 119.51 3n2l h ALA 13 Ca -0.01 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 3n2l h ALA 13 Cb 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3n2l h ALA 13 CO 0.01 0.55 -0.10 -0.07 0.00 0.00 0.00 179.25 179.64 3n2l h LEU 14 N 0.55 0.60 -2.20 0.00 3.38 -1.20 -1.15 115.31 115.28 3n2l h LEU 14 Ca 0.09 -0.38 0.06 0.00 0.09 0.00 0.00 57.88 57.74 3n2l h LEU 14 Cb 0.56 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3n2l h LEU 14 CO 0.04 0.84 0.23 1.05 0.09 0.00 0.00 178.44 180.69 3n2l h GLU 15 N 0.35 0.00 -0.54 1.13 4.11 -1.10 0.75 114.58 119.29 3n2l h GLU 15 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 3n2l h GLU 15 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3n2l h GLU 15 CO 0.03 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.74 3n2l n LYS 16 N -3.76 3.05 -4.19 1.06 5.02 -1.18 -4.93 118.16 113.23 3n2l n LYS 16 Ca 0.02 -2.52 -0.37 0.00 -2.02 0.00 0.00 58.31 53.41 3n2l n LYS 16 Cb 0.35 -1.57 -0.07 0.00 -0.02 0.00 0.00 35.03 33.73 3n2l n LYS 16 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3n2l n GLN 17 N 0.94 -0.75 0.06 1.97 0.00 0.26 -4.83 117.38 115.03 3n2l n GLN 17 Ca 0.20 0.12 -0.16 0.00 0.00 0.00 0.00 57.00 57.16 3n2l n GLN 17 Cb 0.64 -4.11 -0.14 0.00 0.00 0.00 0.00 30.24 26.63 3n2l n GLN 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 3n2l h VAL 18 N -0.80 1.15 -3.17 -0.39 2.07 -1.44 -3.44 116.25 110.23 3n2l h VAL 18 Ca -0.53 -2.80 -0.62 0.00 0.82 0.00 0.00 66.70 63.56 3n2l h VAL 18 Cb 1.23 2.75 -0.13 0.00 -1.52 0.00 0.00 31.29 33.62 3n2l h VAL 18 CO 0.79 0.81 -0.53 -0.22 0.02 0.00 0.00 177.57 178.44 3n2l s LEU 19 N -6.95 4.04 0.02 2.57 2.96 -1.02 -3.07 118.68 117.24 3n2l s LEU 19 Ca -0.09 0.21 0.01 0.00 -0.22 0.00 0.00 54.13 54.04 3n2l s LEU 19 Cb 0.07 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 3n2l s LEU 19 CO 0.85 0.23 -0.05 -0.54 -1.32 0.00 0.00 176.35 175.53 3n2l s LYS 20 N 0.03 0.37 -0.08 1.98 1.02 -0.04 -4.49 119.74 118.52 3n2l s LYS 20 Ca 0.08 -0.53 -0.00 0.00 0.02 0.00 0.00 55.97 55.54 3n2l s LYS 20 Cb -0.12 -0.13 -0.03 0.00 -0.52 0.00 0.00 37.83 37.03 3n2l s LYS 20 CO 0.00 0.02 -0.06 0.12 -0.92 0.00 0.00 175.35 174.51 3n2l s PHE 21 N -1.05 2.98 -3.59 3.18 5.36 -1.26 -1.07 117.98 122.52 3n2l s PHE 21 Ca -0.09 -0.00 0.00 0.00 -0.96 0.00 0.00 56.93 55.88 3n2l s PHE 21 Cb -0.08 -1.76 0.00 0.00 -0.34 0.00 0.00 43.02 40.85 3n2l s PHE 21 CO -0.00 0.30 0.00 0.41 -1.46 0.00 0.00 175.22 174.46 3n2l n GLY 22 N 2.40 -0.54 3.24 13.12 0.00 -0.74 -5.00 105.19 117.67 3n2l n GLY 22 Ca -0.18 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.44 2.78 -0.05 1.61 2.02 -1.26 -4.16 118.70 118.20 3n2l s GLU 23 Ca 0.00 -1.04 0.02 0.00 0.02 0.00 0.00 54.97 53.97 3n2l s GLU 23 Cb 0.00 -3.20 0.01 0.00 0.10 0.00 0.00 34.13 31.04 3n2l s GLU 23 CO 0.00 -0.50 -0.09 -0.06 0.02 0.00 0.00 175.26 174.63 3n2l s PHE 24 N 1.37 1.09 -0.37 1.61 0.08 0.16 -4.97 117.98 116.95 3n2l s PHE 24 Ca -0.01 -0.35 -0.18 0.00 0.12 0.00 0.00 56.93 56.51 3n2l s PHE 24 Cb -0.18 -0.84 0.00 0.00 -0.57 0.00 0.00 43.02 41.44 3n2l s PHE 24 CO -0.01 -0.21 0.50 -0.08 -0.10 0.00 0.00 175.22 175.33 3n2l s THR 25 N 0.65 5.02 0.61 0.64 -1.32 -1.26 0.15 115.64 120.12 3n2l s THR 25 Ca -0.11 0.20 -0.12 0.00 -1.21 0.00 0.00 61.69 60.44 3n2l s THR 25 Cb -0.14 -3.98 -0.04 0.00 -1.51 0.00 0.00 72.50 66.83 3n2l s THR 25 CO 0.02 -0.27 1.03 -0.76 -2.21 0.00 0.00 174.62 172.42 3n2l s LEU 26 N 2.37 3.31 0.59 9.08 1.43 0.14 -4.90 118.68 130.69 3n2l s LEU 26 Ca 0.18 1.49 0.29 0.00 -1.03 0.00 0.00 54.13 55.06 3n2l s LEU 26 Cb -0.16 -4.48 1.70 0.00 0.03 0.00 0.00 46.19 43.28 3n2l s LEU 26 CO 0.14 -0.90 2.14 0.07 0.23 0.00 0.00 176.35 178.03 3n2l h LYS 27 N -0.08 0.00 0.00 1.70 2.10 -1.98 1.07 116.57 119.38 3n2l h LYS 27 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 3n2l h LYS 27 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 3n2l h LYS 27 CO 0.61 0.00 0.00 -1.13 -2.00 0.00 0.00 179.45 176.93 3n2l n SER 28 N -3.81 0.00 0.00 7.07 3.41 -1.26 -4.84 113.62 114.18 3n2l n SER 28 Ca 0.00 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 3n2l n SER 28 Cb 0.26 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 3n2l n SER 28 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3n2l n GLY 29 N -0.45 0.61 3.50 5.00 0.00 0.37 -5.07 105.19 109.15 3n2l n GLY 29 Ca 0.05 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.71 1.78 0.48 1.61 3.00 -1.23 -4.87 118.95 119.02 3n2l s ARG 30 Ca 0.00 -1.45 -0.19 0.00 -1.00 0.00 0.00 55.73 53.09 3n2l s ARG 30 Cb 0.00 -1.97 -0.09 0.00 0.00 0.00 0.00 34.95 32.89 3n2l s ARG 30 CO 0.00 0.40 0.98 0.15 0.00 0.00 0.00 175.30 176.83 3n2l s LYS 31 N -2.89 4.04 -0.08 5.12 3.01 -1.26 -0.69 119.74 127.00 3n2l s LYS 31 Ca 0.24 1.06 -0.08 0.00 -1.01 0.00 0.00 55.97 56.18 3n2l s LYS 31 Cb -0.08 -2.15 0.02 0.00 -1.01 0.00 0.00 37.83 34.61 3n2l s LYS 31 CO 0.13 -0.19 0.22 0.45 0.51 0.00 0.00 175.35 176.47 3n2l s SER 32 N -2.59 -0.21 0.00 2.83 0.15 0.39 -4.89 113.70 109.37 3n2l s SER 32 Ca 0.61 0.40 0.29 0.00 0.70 0.00 0.00 55.95 57.95 3n2l s SER 32 Cb -0.10 0.43 1.31 0.00 -1.71 0.00 0.00 66.02 65.95 3n2l s SER 32 CO 0.23 -0.11 1.93 -0.81 1.20 0.00 0.00 173.24 175.68 3n2l n PRO 33 N 2.82 0.38 -4.14 5.44 -0.04 -1.26 0.37 135.00 138.56 3n2l n PRO 33 Ca -0.14 -0.06 -0.11 0.00 -0.04 0.00 0.00 63.50 63.15 3n2l n PRO 33 Cb 0.58 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.44 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 -2.67 0.83 -0.03 0.54 -0.85 -1.26 -1.78 117.35 112.13 3n2l s TYR 34 Ca 0.24 -0.82 0.01 0.00 -0.52 0.00 0.00 57.07 55.99 3n2l s TYR 34 Cb 0.20 -0.48 0.01 0.00 0.38 0.00 0.00 41.96 42.07 3n2l s TYR 34 CO 0.50 -0.14 -0.05 0.12 -1.52 0.00 0.00 175.55 174.46 3n2l s PHE 35 N -3.09 0.63 -0.13 -3.49 5.36 -0.23 -4.85 117.98 112.18 3n2l s PHE 35 Ca 0.06 -0.14 -0.06 0.00 -0.96 0.00 0.00 56.93 55.83 3n2l s PHE 35 Cb 0.02 -0.52 0.06 0.00 -0.34 0.00 0.00 43.02 42.23 3n2l s PHE 35 CO -0.04 -0.11 0.29 0.12 -1.46 0.00 0.00 175.22 174.02 3n2l s PHE 36 N 0.51 -0.44 -0.26 10.12 5.36 -1.26 -0.86 117.98 131.15 3n2l s PHE 36 Ca -0.06 0.98 -0.04 0.00 -0.96 0.00 0.00 56.93 56.84 3n2l s PHE 36 Cb -0.10 0.09 0.09 0.00 -0.34 0.00 0.00 43.02 42.76 3n2l s PHE 36 CO -0.00 -0.30 0.13 1.21 -1.46 0.00 0.00 175.22 174.80 3n2l s ASN 37 N 1.65 3.19 0.65 6.13 2.47 -1.17 -4.77 114.94 123.09 3n2l s ASN 37 Ca -0.06 -1.11 0.39 0.00 0.42 0.00 0.00 52.86 52.50 3n2l s ASN 37 Cb -0.10 -0.29 2.18 0.00 -1.45 0.00 0.00 41.25 41.59 3n2l s ASN 37 CO -0.10 -0.42 2.28 0.00 -3.72 0.00 0.00 177.10 175.14 3n2l h ALA 38 N 8.41 1.19 0.00 1.71 0.00 -1.94 -0.27 119.26 128.36 3n2l h ALA 38 Ca -0.19 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3n2l h ALA 38 Cb 1.04 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3n2l h ALA 38 CO 0.40 -0.07 -0.00 0.78 0.00 0.00 0.00 179.25 180.36 3n2l h GLY 39 N 0.00 0.00 2.00 0.00 0.00 -1.95 -1.38 103.07 101.74 3n2l h GLY 39 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3n2l h GLY 39 CO -0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.95 3n2l h LEU 40 N 0.00 0.00 -9.94 3.11 3.38 -1.44 -3.44 115.31 106.98 3n2l h LEU 40 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 3n2l h LEU 40 Cb 0.05 0.00 0.09 0.00 0.09 0.00 0.00 40.66 40.89 3n2l h LEU 40 CO 0.00 0.00 0.66 -0.36 0.09 0.00 0.00 178.44 178.83 3n2l s PHE 41 N -3.16 2.76 0.00 1.13 0.08 -0.52 -4.93 117.98 113.34 3n2l s PHE 41 Ca 0.09 1.34 0.00 0.00 0.12 0.00 0.00 56.93 58.48 3n2l s PHE 41 Cb 0.10 -3.78 0.00 0.00 -0.57 0.00 0.00 43.02 38.77 3n2l s PHE 41 CO 0.61 -2.35 0.41 0.27 -0.10 0.00 0.00 175.22 174.06 3n2l n ASN 42 N 0.25 0.61 -4.27 1.36 0.23 -1.26 -5.06 115.26 107.11 3n2l n ASN 42 Ca 0.03 -1.16 -0.15 0.00 -0.53 0.00 0.00 54.58 52.76 3n2l n ASN 42 Cb 0.42 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.02 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 -0.16 0.92 0.22 5.53 -4.23 -1.26 -5.05 115.64 111.61 3n2l s THR 43 Ca 0.00 -2.02 -0.09 0.00 -1.18 0.00 0.00 61.69 58.41 3n2l s THR 43 Cb 0.00 -2.12 0.18 0.00 1.34 0.00 0.00 72.50 71.89 3n2l s THR 43 CO 0.00 -0.49 1.87 1.23 -0.54 0.00 0.00 174.62 176.69 3n2l h GLY 44 N 2.64 1.14 1.37 3.99 0.00 -1.99 -1.81 103.07 108.42 3n2l h GLY 44 Ca -0.37 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 46.51 3n2l h GLY 44 CO 0.64 0.35 0.10 -0.09 0.00 0.00 0.00 176.54 177.53 3n2l h ARG 45 N 1.01 0.79 -0.20 4.80 2.43 -2.00 -0.80 114.38 120.42 3n2l h ARG 45 Ca 0.31 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3n2l h ARG 45 Cb -0.03 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 3n2l h ARG 45 CO -0.10 0.73 0.11 -0.44 -1.51 0.00 0.00 179.97 178.77 3n2l h ASP 46 N 0.76 0.24 -0.57 -3.80 3.32 -1.87 -2.81 116.42 111.69 3n2l h ASP 46 Ca 0.16 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 3n2l h ASP 46 Cb 0.32 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 3n2l h ASP 46 CO 0.00 0.24 0.27 -0.07 -1.72 0.00 0.00 179.24 177.97 3n2l h LEU 47 N 0.23 0.75 -0.49 1.55 3.38 -1.03 -0.09 115.31 119.60 3n2l h LEU 47 Ca 0.07 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3n2l h LEU 47 Cb 0.05 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3n2l h LEU 47 CO -0.01 0.67 0.26 0.00 0.09 0.00 0.00 178.44 179.44 3n2l h ALA 48 N 1.11 0.63 -0.00 1.53 0.00 -1.11 -2.61 119.26 118.81 3n2l h ALA 48 Ca 0.20 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3n2l h ALA 48 Cb 0.12 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3n2l h ALA 48 CO -0.02 0.17 -0.00 0.00 0.00 0.00 0.00 179.25 179.39 3n2l h ARG 49 N 0.65 0.00 -0.78 0.00 3.08 -1.44 -2.54 114.38 113.35 3n2l h ARG 49 Ca 0.17 -0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.39 3n2l h ARG 49 Cb 0.08 -0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.02 3n2l h ARG 49 CO -0.03 0.32 0.24 1.25 -1.07 0.00 0.00 179.97 180.69 3n2l h LEU 50 N -0.31 0.12 -0.85 3.04 5.85 -0.92 -1.05 115.31 121.19 3n2l h LEU 50 Ca 0.00 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3n2l h LEU 50 Cb 0.32 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 3n2l h LEU 50 CO 0.00 -0.01 0.49 1.23 -0.34 0.00 0.00 178.44 179.80 3n2l h GLY 51 N 0.32 1.24 1.87 3.75 0.00 -1.42 -0.60 103.07 108.24 3n2l h GLY 51 Ca 0.45 -0.54 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 3n2l h GLY 51 CO -0.50 0.52 -0.16 3.21 0.00 0.00 0.00 176.54 179.60 3n2l h ARG 52 N 1.17 0.16 -0.22 4.80 3.08 -0.80 -0.10 114.38 122.47 3n2l h ARG 52 Ca 0.30 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 60.12 3n2l h ARG 52 Cb -0.01 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3n2l h ARG 52 CO -0.05 0.33 -0.62 0.74 -1.07 0.00 0.00 179.97 179.30 3n2l h PHE 53 N 0.15 0.97 -0.40 3.04 0.04 -0.16 -1.35 116.94 119.23 3n2l h PHE 53 Ca 0.03 -0.37 -0.14 0.00 2.80 0.00 0.00 57.97 60.29 3n2l h PHE 53 Cb 0.39 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 3n2l h PHE 53 CO 0.00 1.18 -0.29 1.88 -0.60 0.00 0.00 178.31 180.48 3n2l h TYR 54 N 0.56 1.07 -0.71 -0.55 -1.99 -0.98 -2.08 116.97 112.29 3n2l h TYR 54 Ca -0.01 -0.29 -0.05 0.00 2.00 0.00 0.00 58.73 60.39 3n2l h TYR 54 Cb 1.21 -0.24 -0.03 0.00 2.00 0.00 0.00 36.73 39.68 3n2l h TYR 54 CO 0.07 1.10 0.26 0.00 -0.00 0.00 0.00 178.16 179.59 3n2l h ALA 55 N 0.80 0.92 -0.36 3.88 0.00 -1.00 -0.47 119.26 123.03 3n2l h ALA 55 Ca 0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3n2l h ALA 55 Cb 0.87 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3n2l h ALA 55 CO 0.08 0.56 0.14 0.00 0.00 0.00 0.00 179.25 180.03 3n2l h ALA 56 N 1.12 0.47 -0.87 0.00 0.00 -1.13 -0.99 119.26 117.86 3n2l h ALA 56 Ca 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3n2l h ALA 56 Cb 0.24 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3n2l h ALA 56 CO -0.02 0.07 0.50 0.00 0.00 0.00 0.00 179.25 179.80 3n2l h ALA 57 N 0.99 1.24 -0.45 0.00 0.00 -1.20 0.34 119.26 120.17 3n2l h ALA 57 Ca 0.12 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3n2l h ALA 57 Cb 0.19 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3n2l h ALA 57 CO -0.01 0.63 0.02 1.25 0.00 0.00 0.00 179.25 181.15 3n2l h LEU 58 N 1.21 0.76 -0.23 0.00 5.85 -0.77 -1.01 115.31 121.13 3n2l h LEU 58 Ca 0.31 -0.29 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 3n2l h LEU 58 Cb -0.01 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 3n2l h LEU 58 CO -0.05 0.87 -0.02 0.58 -0.34 0.00 0.00 178.44 179.47 3n2l h VAL 59 N 0.63 1.27 -0.22 1.05 2.07 -1.03 -2.62 116.25 117.40 3n2l h VAL 59 Ca 0.13 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.73 3n2l h VAL 59 Cb 0.46 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 3n2l h VAL 59 CO 0.02 0.30 0.15 -0.78 0.02 0.00 0.00 177.57 177.27 3n2l h ASP 60 N 0.18 0.13 0.59 0.57 3.58 -0.76 -2.64 116.42 118.06 3n2l h ASP 60 Ca 0.06 -0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.38 3n2l h ASP 60 Cb 0.45 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 3n2l h ASP 60 CO 0.02 0.09 -0.60 0.77 -2.88 0.00 0.00 179.24 176.63 3n2l h SER 61 N 0.15 0.01 -0.28 2.28 4.64 -0.80 -3.47 113.55 116.09 3n2l h SER 61 Ca 0.09 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.29 3n2l h SER 61 Cb 0.18 -0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.22 3n2l h SER 61 CO -0.01 0.61 -0.11 0.61 -0.87 0.00 0.00 176.83 177.06 3n2l n GLY 62 N 0.20 0.80 3.71 -0.77 0.00 -1.00 -4.99 105.19 103.14 3n2l n GLY 62 Ca -0.01 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.08 4.90 0.15 -0.61 1.01 -1.26 -5.03 121.20 118.27 3n2l s ILE 63 Ca 0.00 1.90 -0.22 0.00 0.00 0.00 0.00 60.65 62.33 3n2l s ILE 63 Cb 0.00 -4.25 -0.08 0.00 0.01 0.00 0.00 42.46 38.15 3n2l s ILE 63 CO 0.00 0.15 0.69 -0.70 0.00 0.00 0.00 174.94 175.08 3n2l s GLU 64 N 1.19 4.37 -0.01 2.79 -6.30 -1.26 -5.00 118.70 114.48 3n2l s GLU 64 Ca 0.47 0.94 -0.25 0.00 -2.50 0.00 0.00 54.97 53.64 3n2l s GLU 64 Cb -0.20 -3.16 0.05 0.00 0.00 0.00 0.00 34.13 30.83 3n2l s GLU 64 CO 0.23 0.55 0.55 -0.59 0.02 0.00 0.00 175.26 176.02 3n2l s PHE 65 N -1.23 -0.48 -0.09 5.30 -0.71 -1.26 -4.88 117.98 114.64 3n2l s PHE 65 Ca 0.35 0.72 0.19 0.00 -1.04 0.00 0.00 56.93 57.15 3n2l s PHE 65 Cb -0.20 0.32 -0.29 0.00 -1.21 0.00 0.00 43.02 41.63 3n2l s PHE 65 CO 0.23 -0.58 0.45 -0.25 -1.34 0.00 0.00 175.22 173.73 3n2l n ASP 66 N 0.81 0.63 -3.82 1.98 8.00 0.22 -4.96 116.55 119.41 3n2l n ASP 66 Ca -0.19 -0.07 -0.13 0.00 0.71 0.00 0.00 54.79 55.11 3n2l n ASP 66 Cb 0.58 1.82 -0.13 0.00 -0.02 0.00 0.00 41.12 43.36 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 -3.29 -0.01 -0.26 2.53 1.01 -0.74 -4.05 120.40 115.57 3n2l s VAL 67 Ca -0.06 0.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 3n2l s VAL 67 Cb 0.12 -0.18 -0.05 0.00 0.00 0.00 0.00 36.38 36.27 3n2l s VAL 67 CO 0.80 0.01 0.19 -0.22 0.00 0.00 0.00 175.10 175.88 3n2l s LEU 68 N 0.25 4.06 -0.09 3.92 2.96 -0.21 -0.90 118.68 128.66 3n2l s LEU 68 Ca -0.02 0.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.96 3n2l s LEU 68 Cb -0.03 -2.13 -0.02 0.00 0.50 0.00 0.00 46.19 44.52 3n2l s LEU 68 CO -0.01 -0.01 -0.14 0.12 -1.32 0.00 0.00 176.35 174.99 3n2l s PHE 69 N 1.51 2.75 -0.26 5.38 5.36 0.49 -0.59 117.98 132.63 3n2l s PHE 69 Ca 0.08 -0.46 -0.03 0.00 -0.96 0.00 0.00 56.93 55.55 3n2l s PHE 69 Cb -0.15 -1.75 0.02 0.00 -0.34 0.00 0.00 43.02 40.80 3n2l s PHE 69 CO 0.09 -0.06 -0.02 0.20 -1.46 0.00 0.00 175.22 173.97 3n2l s GLY 70 N -0.10 1.67 0.39 13.12 0.00 -0.05 -1.89 107.32 120.47 3n2l s GLY 70 Ca -0.02 -1.43 -0.26 0.00 0.00 0.00 0.00 44.72 43.01 3n2l s GLY 70 CO 0.04 0.55 1.24 -4.14 0.00 0.00 0.00 173.10 170.78 3n2l s PRO 71 N 1.39 4.08 0.35 2.90 0.02 -1.26 -3.78 135.00 138.70 3n2l s PRO 71 Ca 0.01 2.02 -0.27 0.00 0.02 0.00 0.00 61.00 62.78 3n2l s PRO 71 Cb -0.17 -2.78 -0.09 0.00 0.02 0.00 0.00 34.50 31.48 3n2l s PRO 71 CO -0.02 -0.35 1.17 0.00 -0.33 0.00 0.00 177.00 177.47 3n2l s ALA 72 N -1.30 3.29 -0.21 -1.55 0.00 -1.26 -0.29 121.76 120.44 3n2l s ALA 72 Ca 0.55 1.00 0.09 0.00 0.00 0.00 0.00 51.96 53.61 3n2l s ALA 72 Cb -0.35 -3.38 -0.19 0.00 0.00 0.00 0.00 23.12 19.20 3n2l s ALA 72 CO 0.45 -0.44 -0.07 0.66 0.00 0.00 0.00 175.76 176.35 3n2l n TYR 73 N 0.53 0.00 0.31 0.00 4.02 -1.26 -4.71 117.16 116.05 3n2l n TYR 73 Ca 0.02 0.00 0.18 0.00 -0.01 0.00 0.00 57.90 58.09 3n2l n TYR 73 Cb 0.45 -0.92 0.99 0.00 -0.02 0.00 0.00 39.34 39.84 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 -1.57 116.57 113.88 3n2l h LYS 74 Ca -0.52 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.22 3n2l h LYS 74 Cb 1.98 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.29 3n2l h LYS 74 CO -0.03 0.03 -0.20 0.78 -0.57 0.00 0.00 179.45 179.45 3n2l h GLY 75 N 0.45 0.00 0.55 3.86 0.00 -0.91 -3.11 103.07 103.91 3n2l h GLY 75 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3n2l h GLY 75 CO 0.00 0.00 -0.04 -2.22 0.00 0.00 0.00 176.54 174.28 3n2l h ILE 76 N 0.00 1.16 -0.18 2.60 2.04 -1.23 0.11 117.51 122.01 3n2l h ILE 76 Ca -0.00 -0.97 -0.09 0.00 1.00 0.00 0.00 64.86 64.79 3n2l h ILE 76 Cb 0.67 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 3n2l h ILE 76 CO 0.03 0.24 -0.30 1.55 0.00 0.00 0.00 178.15 179.66 3n2l h PRO 77 N -0.56 0.36 -0.12 2.37 0.13 -1.72 -1.79 132.00 130.67 3n2l h PRO 77 Ca -0.01 -0.14 -0.00 0.00 -0.87 0.00 0.00 66.00 64.98 3n2l h PRO 77 Cb 0.47 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 3n2l h PRO 77 CO 0.02 0.63 0.07 0.82 -0.23 0.00 0.00 178.00 179.31 3n2l h ILE 78 N 0.31 1.06 -0.27 -3.56 2.04 -1.45 0.15 117.51 115.79 3n2l h ILE 78 Ca 0.04 -0.14 -0.11 0.00 1.00 0.00 0.00 64.86 65.65 3n2l h ILE 78 Cb 0.69 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 3n2l h ILE 78 CO 0.05 0.05 -0.29 0.00 0.00 0.00 0.00 178.15 177.97 3n2l h ALA 79 N 1.01 1.00 -0.00 1.87 0.00 -0.70 0.34 119.26 122.77 3n2l h ALA 79 Ca 0.04 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 3n2l h ALA 79 Cb 0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3n2l h ALA 79 CO -0.01 0.60 -0.00 1.15 0.00 0.00 0.00 179.25 180.99 3n2l h THR 80 N 0.47 1.25 0.00 0.00 2.02 -0.89 0.09 112.91 115.85 3n2l h THR 80 Ca 0.06 -0.74 -0.09 0.00 0.77 0.00 0.00 66.41 66.41 3n2l h THR 80 Cb 0.74 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.89 3n2l h THR 80 CO 0.06 0.19 -0.45 0.00 0.37 0.00 0.00 175.52 175.69 3n2l h THR 81 N -0.31 1.26 -0.22 3.16 1.03 -0.36 -2.40 112.91 115.08 3n2l h THR 81 Ca 0.00 -1.57 -0.09 0.00 -0.01 0.00 0.00 66.41 64.74 3n2l h THR 81 Cb 0.31 1.86 -0.00 0.00 -1.07 0.00 0.00 68.15 69.25 3n2l h THR 81 CO 0.00 0.44 -0.23 0.74 -0.01 0.00 0.00 175.52 176.46 3n2l h THR 82 N 0.00 1.33 -0.83 0.00 2.02 -0.87 -0.49 112.91 114.07 3n2l h THR 82 Ca -0.00 -1.40 0.03 0.00 0.77 0.00 0.00 66.41 65.81 3n2l h THR 82 Cb 0.82 1.74 -0.05 0.00 -1.74 0.00 0.00 68.15 68.93 3n2l h THR 82 CO 0.06 0.43 0.53 0.00 0.37 0.00 0.00 175.52 176.91 3n2l h ALA 83 N 0.65 1.09 0.12 6.16 0.00 -0.72 0.10 119.26 126.65 3n2l h ALA 83 Ca 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3n2l h ALA 83 Cb 0.78 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3n2l h ALA 83 CO 0.06 0.35 -0.06 0.28 0.00 0.00 0.00 179.25 179.88 3n2l h VAL 84 N 1.03 1.00 -0.86 0.00 2.07 -1.26 -2.01 116.25 116.21 3n2l h VAL 84 Ca 0.33 -0.45 0.02 0.00 0.82 0.00 0.00 66.70 67.42 3n2l h VAL 84 Cb 0.01 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 3n2l h VAL 84 CO -0.12 0.11 0.57 0.00 0.02 0.00 0.00 177.57 178.15 3n2l h ALA 85 N 0.49 1.41 -0.79 1.67 0.00 -0.74 -1.35 119.26 119.94 3n2l h ALA 85 Ca -0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3n2l h ALA 85 Cb 0.30 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3n2l h ALA 85 CO 0.03 0.54 0.34 -0.07 0.00 0.00 0.00 179.25 180.08 3n2l h LEU 86 N 1.14 1.07 -0.05 0.00 3.38 -0.55 -0.93 115.31 119.38 3n2l h LEU 86 Ca 0.32 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 3n2l h LEU 86 Cb -0.09 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.39 3n2l h LEU 86 CO -0.08 0.93 -0.36 0.00 0.09 0.00 0.00 178.44 179.02 3n2l h ALA 87 N 1.18 0.11 0.00 1.53 0.00 -0.72 0.16 119.26 121.51 3n2l h ALA 87 Ca 0.27 -0.47 -0.19 0.00 0.00 0.00 0.00 54.91 54.51 3n2l h ALA 87 Cb 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3n2l h ALA 87 CO -0.03 0.21 -0.91 -0.44 0.00 0.00 0.00 179.25 178.08 3n2l h ASP 88 N -0.19 0.00 0.00 0.00 3.32 -1.28 -3.22 116.42 115.05 3n2l h ASP 88 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3n2l h ASP 88 Cb 1.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.59 3n2l h ASP 88 CO 0.07 0.91 -1.36 1.41 -1.72 0.00 0.00 179.24 178.55 3n2l n HIS 89 N -3.44 0.00 -0.40 4.55 8.25 -0.36 -4.69 115.22 119.13 3n2l n HIS 89 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3n2l n HIS 89 Cb 0.87 -0.22 0.01 0.00 1.12 0.00 0.00 29.99 31.76 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 -1.80 0.00 -3.04 4.41 8.25 -0.93 -5.00 115.22 117.12 3n2l n HIS 90 Ca -0.01 -0.36 -0.19 0.00 -0.26 0.00 0.00 57.72 56.90 3n2l n HIS 90 Cb 0.29 -0.04 -0.00 0.00 1.12 0.00 0.00 29.99 31.36 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 -0.38 -3.85 -4.24 0.41 4.64 -1.07 -4.95 116.55 107.11 3n2l n ASP 91 Ca 0.01 -0.18 -0.36 0.00 -1.38 0.00 0.00 54.79 52.87 3n2l n ASP 91 Cb 0.36 -3.21 -0.13 0.00 -1.04 0.00 0.00 41.12 37.09 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 -2.83 3.42 -0.65 5.18 1.01 -0.00 -4.96 120.40 121.57 3n2l s VAL 92 Ca 0.26 -1.11 -0.13 0.00 0.00 0.00 0.00 61.98 61.01 3n2l s VAL 92 Cb -0.14 -2.88 0.17 0.00 0.00 0.00 0.00 36.38 33.53 3n2l s VAL 92 CO 0.32 -0.05 0.57 -0.62 0.00 0.00 0.00 175.10 175.33 3n2l s ASP 93 N 1.36 6.23 -0.15 3.32 3.68 -1.26 -1.98 116.67 127.87 3n2l s ASP 93 Ca -0.02 -2.29 -0.08 0.00 2.13 0.00 0.00 52.55 52.29 3n2l s ASP 93 Cb -0.19 -2.14 -0.04 0.00 -1.45 0.00 0.00 42.92 39.10 3n2l s ASP 93 CO 0.00 -0.66 0.12 0.28 0.13 0.00 0.00 175.17 175.04 3n2l s THR 94 N 0.80 5.35 0.56 1.71 -1.32 -1.26 -5.08 115.64 116.41 3n2l s THR 94 Ca 0.11 0.16 -0.21 0.00 -1.21 0.00 0.00 61.69 60.54 3n2l s THR 94 Cb -0.20 -3.37 -0.05 0.00 -1.51 0.00 0.00 72.50 67.37 3n2l s THR 94 CO -0.03 0.55 1.29 -2.65 -2.21 0.00 0.00 174.62 171.57 3n2l n PRO 95 N 2.63 1.51 -4.39 7.08 -0.02 -1.26 -4.83 135.00 135.72 3n2l n PRO 95 Ca -0.18 0.56 -0.22 0.00 -2.02 0.00 0.00 63.50 61.63 3n2l n PRO 95 Cb 0.54 -2.51 -0.11 0.00 -0.02 0.00 0.00 33.50 31.41 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 2.01 0.00 6.00 -0.85 -1.26 -1.04 117.35 120.88 3n2l s TYR 96 Ca 0.73 -0.44 -0.20 0.00 -0.52 0.00 0.00 57.07 56.65 3n2l s TYR 96 Cb -0.42 -0.93 0.04 0.00 0.38 0.00 0.00 41.96 41.03 3n2l s TYR 96 CO 0.48 0.49 0.43 0.00 -1.52 0.00 0.00 175.55 175.42 3n2l s PHE 98 N -1.73 0.90 0.31 0.00 -0.12 0.08 -0.87 117.98 116.55 3n2l s PHE 98 Ca -0.10 -1.15 0.10 0.00 -0.05 0.00 0.00 56.93 55.73 3n2l s PHE 98 Cb -0.02 -0.26 -0.05 0.00 -0.63 0.00 0.00 43.02 42.06 3n2l s PHE 98 CO 0.03 -0.82 -0.07 0.54 -0.05 0.00 0.00 175.22 174.84 3n2l s ASN 99 N -3.13 3.98 -0.01 1.98 4.22 -1.25 -0.71 114.94 120.03 3n2l s ASN 99 Ca 0.32 -0.99 -0.18 0.00 -2.14 0.00 0.00 52.86 49.88 3n2l s ASN 99 Cb 0.03 -0.48 -0.06 0.00 1.28 0.00 0.00 41.25 42.03 3n2l s ASN 99 CO 0.13 -0.11 0.49 -0.13 -2.04 0.00 0.00 177.10 175.44 3n2l s ARG 100 N -3.63 4.15 0.12 3.55 0.52 -1.00 -4.19 118.95 118.47 3n2l s ARG 100 Ca 0.32 0.55 -0.24 0.00 -0.52 0.00 0.00 55.73 55.85 3n2l s ARG 100 Cb -0.02 -3.30 -0.06 0.00 0.52 0.00 0.00 34.95 32.09 3n2l s ARG 100 CO 0.18 0.50 1.67 -0.22 0.02 0.00 0.00 175.30 177.45 3n2l h LYS 101 N 5.30 -0.23 0.00 3.54 1.63 -2.00 -3.44 116.57 121.38 3n2l h LYS 101 Ca -0.48 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 3n2l h LYS 101 Cb 1.21 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 3n2l h LYS 101 CO 0.67 -0.16 0.00 0.39 -3.45 0.00 0.00 179.45 176.90 3n2l n GLU 102 N -5.28 0.00 -0.00 1.90 1.02 -1.26 -5.13 120.64 111.88 3n2l n GLU 102 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 3n2l n GLU 102 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.62 3n2l n GLU 102 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3n2l n ASN 111 N 2.81 -0.30 -4.29 1.62 2.85 -1.26 -5.34 115.26 111.35 3n2l n ASN 111 Ca 0.00 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.18 3n2l n ASN 111 Cb 0.00 0.14 -0.16 0.00 1.24 0.00 0.00 39.78 41.00 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 -0.14 2.08 -0.05 1.20 1.43 -1.26 -2.37 118.68 119.56 3n2l s LEU 112 Ca 0.00 -0.47 0.06 0.00 -1.03 0.00 0.00 54.13 52.69 3n2l s LEU 112 Cb 0.00 -1.23 -0.01 0.00 0.03 0.00 0.00 46.19 44.98 3n2l s LEU 112 CO 0.00 0.28 -0.22 -0.69 0.23 0.00 0.00 176.35 175.94 3n2l s VAL 113 N -0.62 1.84 0.00 -1.59 1.01 0.12 -5.00 120.40 116.15 3n2l s VAL 113 Ca 0.10 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.12 3n2l s VAL 113 Cb -0.09 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.73 3n2l s VAL 113 CO -0.00 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3n2l n GLY 114 N 2.97 0.09 3.69 4.51 0.00 -1.26 -0.74 105.19 114.45 3n2l n GLY 114 Ca -0.17 -2.11 -0.30 0.00 0.00 0.00 0.00 46.02 43.44 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 3.25 0.42 1.61 0.01 0.18 -4.97 113.70 110.20 3n2l s SER 115 Ca 0.00 1.75 -0.25 0.00 1.31 0.00 0.00 55.95 58.75 3n2l s SER 115 Cb 0.00 -2.37 -0.08 0.00 0.21 0.00 0.00 66.02 63.78 3n2l s SER 115 CO 0.00 -2.82 1.28 -0.75 0.41 0.00 0.00 173.24 171.36 3n2l s LYS 116 N -4.79 3.88 -0.58 12.44 2.20 -1.26 -4.74 119.74 126.89 3n2l s LYS 116 Ca 0.64 2.09 -0.25 0.00 -0.36 0.00 0.00 55.97 58.10 3n2l s LYS 116 Cb -0.20 -2.67 0.04 0.00 -1.51 0.00 0.00 37.83 33.49 3n2l s LYS 116 CO 0.58 -0.54 1.02 -1.17 -0.36 0.00 0.00 175.35 174.87 3n2l s LEU 117 N -2.59 3.94 0.01 5.43 2.96 -1.26 -4.98 118.68 122.18 3n2l s LEU 117 Ca 0.59 -0.33 -0.15 0.00 -0.22 0.00 0.00 54.13 54.02 3n2l s LEU 117 Cb -0.37 -2.84 0.02 0.00 0.50 0.00 0.00 46.19 43.51 3n2l s LEU 117 CO 0.46 -1.34 0.33 -1.83 -1.32 0.00 0.00 176.35 172.66 3n2l s GLU 118 N 4.27 0.75 4.02 1.98 -1.05 -1.26 -4.71 118.70 122.70 3n2l s GLU 118 Ca 0.32 -0.28 0.00 0.00 -0.15 0.00 0.00 54.97 54.86 3n2l s GLU 118 Cb -0.12 0.33 0.00 0.00 -0.44 0.00 0.00 34.13 33.90 3n2l s GLU 118 CO 0.19 -0.22 0.00 0.41 0.95 0.00 0.00 175.26 176.59 3n2l n GLY 119 N 0.98 0.59 3.73 -3.83 0.00 -1.26 -4.60 105.19 100.80 3n2l n GLY 119 Ca -0.20 -0.87 -0.37 0.00 0.00 0.00 0.00 46.02 44.58 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 4.26 -0.20 1.61 0.52 -1.26 -0.54 118.95 123.33 3n2l s ARG 120 Ca 0.00 0.20 -0.03 0.00 -0.52 0.00 0.00 55.73 55.38 3n2l s ARG 120 Cb 0.00 -3.42 -0.01 0.00 0.52 0.00 0.00 34.95 32.05 3n2l s ARG 120 CO 0.00 0.24 -0.07 0.08 0.02 0.00 0.00 175.30 175.56 3n2l s VAL 121 N 0.44 3.17 -0.23 3.52 1.01 0.44 0.70 120.40 129.46 3n2l s VAL 121 Ca 0.19 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.51 3n2l s VAL 121 Cb -0.14 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 3n2l s VAL 121 CO 0.06 0.45 0.14 -0.32 0.00 0.00 0.00 175.10 175.43 3n2l s MET 122 N 1.31 4.04 0.18 2.72 1.75 -0.07 -0.40 119.30 128.82 3n2l s MET 122 Ca 0.04 -0.29 -0.05 0.00 -1.25 0.00 0.00 55.69 54.13 3n2l s MET 122 Cb -0.14 -3.46 -0.06 0.00 2.84 0.00 0.00 34.83 34.01 3n2l s MET 122 CO -0.03 0.10 0.42 -0.51 -0.65 0.00 0.00 175.02 174.35 3n2l s LEU 123 N 0.93 4.23 -0.01 4.11 1.02 -0.59 -0.38 118.68 127.98 3n2l s LEU 123 Ca 0.07 0.64 0.03 0.00 0.02 0.00 0.00 54.13 54.88 3n2l s LEU 123 Cb -0.13 -3.38 -0.00 0.00 0.02 0.00 0.00 46.19 42.69 3n2l s LEU 123 CO 0.03 -0.00 -0.10 0.68 0.02 0.00 0.00 176.35 176.98 3n2l s VAL 124 N -1.75 0.79 0.33 -1.59 -7.23 -0.79 -0.70 120.40 109.45 3n2l s VAL 124 Ca 0.42 -0.40 -0.10 0.00 -1.81 0.00 0.00 61.98 60.08 3n2l s VAL 124 Cb -0.12 -0.67 0.04 0.00 0.56 0.00 0.00 36.38 36.19 3n2l s VAL 124 CO 0.25 0.23 0.62 -0.67 -0.31 0.00 0.00 175.10 175.22 3n2l n ASP 125 N 2.99 -1.79 -0.07 4.85 4.64 -0.57 -4.23 116.55 122.36 3n2l n ASP 125 Ca -0.15 -2.41 -0.12 0.00 -1.38 0.00 0.00 54.79 50.73 3n2l n ASP 125 Cb 0.56 3.03 -0.10 0.00 -1.04 0.00 0.00 41.12 43.57 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 1.68 0.00 -5.07 1.67 2.03 -1.89 -3.31 116.42 111.53 3n2l h ASP 126 Ca -0.27 -0.70 -0.15 0.00 -0.73 0.00 0.00 57.03 55.18 3n2l h ASP 126 Cb 1.04 0.00 -0.19 0.00 -0.83 0.00 0.00 39.33 39.35 3n2l h ASP 126 CO 0.35 0.98 -0.66 0.68 -1.03 0.00 0.00 179.24 179.56 3n2l s VAL 127 N -2.12 0.14 -2.28 4.15 -7.23 -1.26 -1.34 120.40 110.46 3n2l s VAL 127 Ca -0.17 -1.18 0.22 0.00 -1.81 0.00 0.00 61.98 59.04 3n2l s VAL 127 Cb -0.01 -0.72 0.50 0.00 0.56 0.00 0.00 36.38 36.72 3n2l s VAL 127 CO 0.53 -0.65 1.46 0.00 -0.31 0.00 0.00 175.10 176.13 3n2l n ILE 128 N 1.05 0.64 0.39 -0.62 0.13 -1.26 -3.29 119.36 116.40 3n2l n ILE 128 Ca -0.20 -0.78 0.12 0.00 -1.10 0.00 0.00 62.75 60.78 3n2l n ILE 128 Cb 0.57 0.73 0.22 0.00 -0.84 0.00 0.00 39.64 40.32 3n2l n ILE 128 CO 0.00 0.00 0.00 0.71 2.80 0.00 0.00 176.55 180.06 3n2l h THR 129 N 4.13 0.00 -0.35 9.51 1.35 -1.96 -3.30 112.91 122.29 3n2l h THR 129 Ca 0.00 -0.76 -0.54 0.00 -0.55 0.00 0.00 66.41 64.56 3n2l h THR 129 Cb 0.92 1.63 -0.05 0.00 -1.73 0.00 0.00 68.15 68.92 3n2l h THR 129 CO 0.00 0.00 2.10 0.00 -0.25 0.00 0.00 175.52 177.37 3n2l n ALA 130 N -1.97 7.00 0.34 6.62 0.00 -1.21 -4.75 120.51 126.54 3n2l n ALA 130 Ca 0.04 -3.15 -0.16 0.00 0.00 0.00 0.00 53.44 50.16 3n2l n ALA 130 Cb 0.49 -2.85 -0.08 0.00 0.00 0.00 0.00 19.45 17.00 3n2l n ALA 130 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3n2l h GLY 131 N 5.86 -1.19 -0.76 0.00 0.00 -1.85 -3.18 103.07 101.95 3n2l h GLY 131 Ca 0.61 0.50 0.17 0.00 0.00 0.00 0.00 47.33 48.61 3n2l h GLY 131 CO 1.23 -0.39 -0.26 0.00 0.00 0.00 0.00 176.54 177.12 3n2l h THR 132 N -0.98 0.11 -0.80 4.70 1.03 -1.93 1.11 112.91 116.15 3n2l h THR 132 Ca -0.08 0.00 0.04 0.00 -0.01 0.00 0.00 66.41 66.36 3n2l h THR 132 Cb 0.80 0.11 -0.05 0.00 -1.07 0.00 0.00 68.15 67.94 3n2l h THR 132 CO 0.05 0.00 0.51 0.00 -0.01 0.00 0.00 175.52 176.07 3n2l h ALA 133 N 1.72 1.07 0.05 0.00 0.00 -1.90 -1.32 119.26 118.87 3n2l h ALA 133 Ca 0.39 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.14 3n2l h ALA 133 Cb 0.63 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.18 3n2l h ALA 133 CO -0.90 0.30 -0.57 0.82 0.00 0.00 0.00 179.25 178.90 3n2l h ILE 134 N 0.97 1.51 -0.81 0.00 2.04 0.38 -2.49 117.51 119.11 3n2l h ILE 134 Ca 0.33 -2.25 0.06 0.00 1.00 0.00 0.00 64.86 64.00 3n2l h ILE 134 Cb 0.06 2.92 -0.05 0.00 -0.74 0.00 0.00 36.82 39.01 3n2l h ILE 134 CO -0.13 0.63 0.53 0.03 0.00 0.00 0.00 178.15 179.21 3n2l h ARG 135 N -0.35 0.87 -0.37 2.37 3.08 0.94 -0.67 114.38 120.25 3n2l h ARG 135 Ca -0.09 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 59.76 3n2l h ARG 135 Cb 1.36 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 3n2l h ARG 135 CO 0.11 0.58 -0.35 0.93 -1.07 0.00 0.00 179.97 180.16 3n2l h GLU 136 N 0.90 0.85 -0.45 0.04 5.08 -1.27 -1.17 114.58 118.55 3n2l h GLU 136 Ca 0.35 -0.43 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 3n2l h GLU 136 Cb 0.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3n2l h GLU 136 CO -0.12 1.07 0.04 0.77 -1.00 0.00 0.00 179.01 179.77 3n2l h SER 137 N 0.71 0.75 -0.71 1.42 0.02 -0.96 -0.65 113.55 114.13 3n2l h SER 137 Ca 0.07 -0.28 -0.03 0.00 -0.84 0.00 0.00 61.79 60.71 3n2l h SER 137 Cb 0.92 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.23 3n2l h SER 137 CO 0.09 0.84 0.34 0.24 -1.14 0.00 0.00 176.83 177.20 3n2l h MET 138 N 0.63 1.02 -0.88 3.45 2.86 -0.99 0.12 114.93 121.14 3n2l h MET 138 Ca 0.13 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 3n2l h MET 138 Cb 0.43 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.87 3n2l h MET 138 CO 0.02 0.80 0.47 0.93 1.06 0.00 0.00 176.91 180.18 3n2l h GLU 139 N 0.99 1.25 -0.39 1.72 5.08 -1.02 -0.11 114.58 122.09 3n2l h GLU 139 Ca 0.24 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.34 3n2l h GLU 139 Cb 0.11 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3n2l h GLU 139 CO -0.03 0.92 -0.18 1.25 -1.00 0.00 0.00 179.01 179.97 3n2l h LEU 140 N 1.25 0.84 -0.07 1.33 5.85 -0.60 0.23 115.31 124.14 3n2l h LEU 140 Ca 0.31 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3n2l h LEU 140 Cb 0.05 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 3n2l h LEU 140 CO -0.05 1.05 0.04 0.40 -0.34 0.00 0.00 178.44 179.55 3n2l h ILE 141 N 0.62 1.04 -0.79 4.05 2.04 -0.43 -1.97 117.51 122.06 3n2l h ILE 141 Ca 0.09 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 3n2l h ILE 141 Cb 0.73 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 3n2l h ILE 141 CO 0.06 0.03 0.37 1.56 0.00 0.00 0.00 178.15 180.17 3n2l h GLN 142 N 0.07 1.13 0.00 2.37 4.20 -0.85 -1.61 115.11 120.42 3n2l h GLN 142 Ca 0.03 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 3n2l h GLN 142 Cb 0.02 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.59 3n2l h GLN 142 CO -0.01 0.87 -0.04 0.00 -0.67 0.00 0.00 178.83 178.99 3n2l h ALA 143 N 1.29 1.17 -0.50 3.87 0.00 -0.11 -0.24 119.26 124.74 3n2l h ALA 143 Ca 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3n2l h ALA 143 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3n2l h ALA 143 CO -0.03 0.04 0.00 0.09 0.00 0.00 0.00 179.25 179.35 3n2l n ASN 144 N -3.37 3.77 -0.45 0.00 3.02 -0.62 -4.95 115.26 112.66 3n2l n ASN 144 Ca -0.02 -2.35 -0.06 0.00 -0.03 0.00 0.00 54.58 52.13 3n2l n ASN 144 Cb 0.16 -0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 38.80 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 0.81 -0.75 -3.59 3.52 4.01 -0.10 -4.94 118.16 117.12 3n2l n LYS 145 Ca 0.20 0.61 -0.20 0.00 -0.51 0.00 0.00 58.31 58.41 3n2l n LYS 145 Cb 0.72 -4.42 -0.01 0.00 -0.51 0.00 0.00 35.03 30.80 3n2l n LYS 145 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3n2l s ALA 146 N -2.05 4.14 0.17 7.82 0.00 -1.13 -4.82 121.76 125.90 3n2l s ALA 146 Ca 0.00 -1.44 0.03 0.00 0.00 0.00 0.00 51.96 50.54 3n2l s ALA 146 Cb 0.00 -1.63 -0.03 0.00 0.00 0.00 0.00 23.12 21.46 3n2l s ALA 146 CO 0.00 0.02 0.31 -0.51 0.00 0.00 0.00 175.76 175.58 3n2l s ASP 147 N -4.12 6.34 -0.33 0.00 1.01 0.30 -4.20 116.67 115.66 3n2l s ASP 147 Ca 0.43 0.18 -0.17 0.00 0.71 0.00 0.00 52.55 53.70 3n2l s ASP 147 Cb -0.09 -1.91 -0.01 0.00 1.01 0.00 0.00 42.92 41.92 3n2l s ASP 147 CO 0.30 0.02 0.46 -0.76 0.21 0.00 0.00 175.17 175.40 3n2l s LEU 148 N -3.38 4.32 0.15 1.23 1.43 -1.26 -0.42 118.68 120.75 3n2l s LEU 148 Ca 0.35 -0.00 0.08 0.00 -1.03 0.00 0.00 54.13 53.52 3n2l s LEU 148 Cb -0.11 -2.52 -0.10 0.00 0.03 0.00 0.00 46.19 43.50 3n2l s LEU 148 CO 0.29 -0.40 1.35 0.00 0.23 0.00 0.00 176.35 177.81 3n2l h ALA 149 N 8.40 0.47 0.00 4.21 0.00 -1.03 -3.44 119.26 127.87 3n2l h ALA 149 Ca -0.29 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 53.78 3n2l h ALA 149 Cb 1.13 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3n2l h ALA 149 CO 0.74 1.16 0.00 0.41 0.00 0.00 0.00 179.25 181.55 3n2l n GLY 150 N 1.13 -1.18 2.93 0.00 0.00 -1.24 -4.40 105.19 102.43 3n2l n GLY 150 Ca -0.00 -1.59 -0.21 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.66 0.66 -0.20 1.61 1.01 -0.46 -1.54 120.40 119.82 3n2l s VAL 151 Ca 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 3n2l s VAL 151 Cb 0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 3n2l s VAL 151 CO 0.00 0.25 -0.05 -0.22 0.00 0.00 0.00 175.10 175.08 3n2l s LEU 152 N 0.78 2.93 0.46 3.92 2.96 0.12 -0.59 118.68 129.26 3n2l s LEU 152 Ca -0.12 -0.34 0.05 0.00 -0.22 0.00 0.00 54.13 53.50 3n2l s LEU 152 Cb -0.14 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 3n2l s LEU 152 CO 0.01 0.03 0.09 0.68 -1.32 0.00 0.00 176.35 175.85 3n2l s VAL 153 N 1.15 1.73 -0.04 1.68 -7.23 -0.06 -1.52 120.40 116.10 3n2l s VAL 153 Ca 0.02 -1.87 -0.24 0.00 -1.81 0.00 0.00 61.98 58.08 3n2l s VAL 153 Cb -0.14 -2.60 -0.23 0.00 0.56 0.00 0.00 36.38 33.97 3n2l s VAL 153 CO -0.01 0.00 1.05 0.00 -0.31 0.00 0.00 175.10 175.84 3n2l h ALA 154 N 1.42 0.04 -3.27 1.32 0.00 -1.30 -1.59 119.26 115.90 3n2l h ALA 154 Ca -0.43 -0.46 -0.19 0.00 0.00 0.00 0.00 54.91 53.84 3n2l h ALA 154 Cb 1.28 0.01 -0.25 0.00 0.00 0.00 0.00 17.79 18.83 3n2l h ALA 154 CO 0.73 0.09 -0.59 -1.50 0.00 0.00 0.00 179.25 177.98 3n2l s ILE 155 N -3.22 0.03 0.15 0.00 2.07 -1.26 -1.81 121.20 117.17 3n2l s ILE 155 Ca -0.16 -0.28 -0.00 0.00 -1.41 0.00 0.00 60.65 58.80 3n2l s ILE 155 Cb 0.01 -0.22 -0.04 0.00 0.13 0.00 0.00 42.46 42.34 3n2l s ILE 155 CO 0.74 -0.15 0.05 -1.81 -1.91 0.00 0.00 174.94 171.87 3n2l s ASP 156 N -0.47 0.53 -0.07 4.50 1.01 -1.12 -4.74 116.67 116.32 3n2l s ASP 156 Ca -0.05 -1.23 -0.12 0.00 0.71 0.00 0.00 52.55 51.86 3n2l s ASP 156 Cb -0.03 0.26 -0.05 0.00 1.01 0.00 0.00 42.92 44.10 3n2l s ASP 156 CO 0.00 -0.71 0.30 -0.13 0.21 0.00 0.00 175.17 174.84 3n2l s ARG 157 N -4.03 3.79 0.00 8.23 0.52 -1.26 -0.36 118.95 125.85 3n2l s ARG 157 Ca 0.26 0.17 0.00 0.00 -0.52 0.00 0.00 55.73 55.64 3n2l s ARG 157 Cb 0.07 -3.24 0.00 0.00 0.52 0.00 0.00 34.95 32.30 3n2l s ARG 157 CO 0.04 0.66 0.00 1.04 0.02 0.00 0.00 175.30 177.06 3n2l n GLN 158 N 2.13 0.00 0.00 3.54 6.02 -1.26 -4.95 117.38 122.86 3n2l n GLN 158 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 3n2l n GLN 158 Cb 0.53 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.79 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 0.00 0.00 0.00 -1.58 0.00 -1.26 -4.83 120.51 112.85 3n2l n ALA 167 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3n2l n ALA 167 Cb 0.00 0.00 0.34 0.00 0.00 0.00 0.00 19.45 19.79 3n2l n ALA 167 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3n2l h ILE 168 N 0.00 1.17 -0.17 0.00 2.04 -1.99 -3.06 117.51 115.50 3n2l h ILE 168 Ca 0.00 -0.60 -0.21 0.00 1.00 0.00 0.00 64.86 65.05 3n2l h ILE 168 Cb 0.00 0.81 0.01 0.00 -0.74 0.00 0.00 36.82 36.90 3n2l h ILE 168 CO 0.00 0.22 -0.70 1.56 0.00 0.00 0.00 178.15 179.23 3n2l h GLN 169 N 0.51 0.78 -0.63 2.37 4.20 -1.98 -2.14 115.11 118.22 3n2l h GLN 169 Ca 0.12 -0.61 -0.05 0.00 0.06 0.00 0.00 58.65 58.17 3n2l h GLN 169 Cb 0.21 0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 3n2l h GLN 169 CO -0.00 1.22 0.20 1.05 -0.67 0.00 0.00 178.83 180.63 3n2l h GLU 170 N 0.51 0.98 -0.94 1.46 4.11 -1.98 -1.49 114.58 117.22 3n2l h GLU 170 Ca -0.04 -0.21 0.01 0.00 0.07 0.00 0.00 59.36 59.19 3n2l h GLU 170 Cb 1.33 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 30.39 3n2l h GLU 170 CO 0.15 0.86 0.62 0.28 0.07 0.00 0.00 179.01 180.99 3n2l h VAL 171 N 0.90 1.24 0.00 -1.06 2.07 -1.49 0.31 116.25 118.22 3n2l h VAL 171 Ca 0.20 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 3n2l h VAL 171 Cb 0.28 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 3n2l h VAL 171 CO -0.01 0.23 -0.25 -0.33 0.02 0.00 0.00 177.57 177.24 3n2l h GLU 172 N 1.27 0.00 0.03 1.57 5.08 -0.85 -2.10 114.58 119.58 3n2l h GLU 172 Ca 0.34 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.33 3n2l h GLU 172 Cb -0.15 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.05 3n2l h GLU 172 CO -0.08 0.25 -2.29 0.54 -1.00 0.00 0.00 179.01 176.43 3n2l n ARG 173 N -3.37 0.68 -0.24 2.33 1.74 -0.61 -4.13 116.66 113.06 3n2l n ARG 173 Ca 0.00 0.17 -0.06 0.00 -0.77 0.00 0.00 57.85 57.19 3n2l n ARG 173 Cb 0.46 -1.59 0.08 0.00 -1.02 0.00 0.00 32.46 30.39 3n2l n ARG 173 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3n2l h ASP 174 N 0.02 1.03 -2.48 0.55 3.32 -0.44 -3.42 116.42 115.00 3n2l h ASP 174 Ca -0.52 -0.21 -0.59 0.00 0.02 0.00 0.00 57.03 55.73 3n2l h ASP 174 Cb 1.99 -0.27 -0.12 0.00 0.22 0.00 0.00 39.33 41.15 3n2l h ASP 174 CO -0.02 0.98 -0.69 -0.36 -1.72 0.00 0.00 179.24 177.43 3n2l s PHE 175 N -5.31 2.60 -0.36 4.55 0.08 -0.79 -5.03 117.98 113.70 3n2l s PHE 175 Ca -0.12 -0.24 -0.00 0.00 0.12 0.00 0.00 56.93 56.69 3n2l s PHE 175 Cb 0.15 -1.19 0.30 0.00 -0.57 0.00 0.00 43.02 41.71 3n2l s PHE 175 CO 0.84 0.60 1.90 0.41 -0.10 0.00 0.00 175.22 178.87 3n2l n GLY 176 N -0.53 4.25 3.27 4.36 0.00 -1.26 -4.40 105.19 110.88 3n2l n GLY 176 Ca -0.08 -1.19 -0.15 0.00 0.00 0.00 0.00 46.02 44.60 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 -3.25 3.26 -0.23 0.00 0.00 -1.26 -4.26 121.76 116.02 3n2l s ALA 178 Ca 0.18 0.05 -0.04 0.00 0.00 0.00 0.00 51.96 52.16 3n2l s ALA 178 Cb 0.02 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.30 3n2l s ALA 178 CO 0.02 0.18 -0.04 0.08 0.00 0.00 0.00 175.76 176.00 3n2l s VAL 179 N -2.15 3.29 0.29 0.00 1.01 -1.26 -1.36 120.40 120.21 3n2l s VAL 179 Ca 0.55 -0.64 0.09 0.00 0.00 0.00 0.00 61.98 61.98 3n2l s VAL 179 Cb -0.10 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 3n2l s VAL 179 CO 0.21 0.34 0.02 0.27 0.00 0.00 0.00 175.10 175.95 3n2l s ILE 180 N 1.44 3.25 0.13 2.22 -4.36 0.24 -4.98 121.20 119.16 3n2l s ILE 180 Ca 0.04 -1.89 0.03 0.00 -0.26 0.00 0.00 60.65 58.58 3n2l s ILE 180 Cb -0.15 -2.85 -0.04 0.00 1.25 0.00 0.00 42.46 40.66 3n2l s ILE 180 CO -0.03 -0.32 -0.08 -0.94 0.24 0.00 0.00 174.94 173.81 3n2l s SER 181 N -3.71 1.54 0.02 4.36 1.04 -1.26 -0.89 113.70 114.81 3n2l s SER 181 Ca 0.33 -1.02 -0.24 0.00 0.48 0.00 0.00 55.95 55.50 3n2l s SER 181 Cb -0.05 0.03 -0.17 0.00 0.10 0.00 0.00 66.02 65.94 3n2l s SER 181 CO 0.20 -0.39 1.40 0.40 0.98 0.00 0.00 173.24 175.83 3n2l h ILE 182 N 2.83 1.29 -3.75 -1.02 2.04 -0.76 -3.47 117.51 114.68 3n2l h ILE 182 Ca -0.36 -0.91 -0.31 0.00 1.00 0.00 0.00 64.86 64.27 3n2l h ILE 182 Cb 1.18 1.79 -0.15 0.00 -0.74 0.00 0.00 36.82 38.91 3n2l h ILE 182 CO 0.64 0.25 -0.65 0.68 0.00 0.00 0.00 178.15 179.07 3n2l s VAL 183 N -4.73 0.66 0.34 1.67 -7.23 -0.75 -4.84 120.40 105.51 3n2l s VAL 183 Ca -0.15 -1.99 0.08 0.00 -1.81 0.00 0.00 61.98 58.11 3n2l s VAL 183 Cb 0.04 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 3n2l s VAL 183 CO 0.69 -0.32 0.21 -0.94 -0.31 0.00 0.00 175.10 174.44 3n2l s SER 184 N -3.22 4.94 0.38 4.85 1.04 -1.26 -2.81 113.70 117.61 3n2l s SER 184 Ca 0.28 -0.66 0.06 0.00 0.48 0.00 0.00 55.95 56.11 3n2l s SER 184 Cb 0.07 -0.82 0.78 0.00 0.10 0.00 0.00 66.02 66.14 3n2l s SER 184 CO 0.07 -0.34 1.99 0.25 0.98 0.00 0.00 173.24 176.19 3n2l h LEU 185 N 1.40 0.61 -0.94 2.42 5.85 -1.02 -1.20 115.31 122.44 3n2l h LEU 185 Ca -0.44 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.22 3n2l h LEU 185 Cb 1.25 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 3n2l h LEU 185 CO 0.61 0.41 0.16 0.74 -0.34 0.00 0.00 178.44 180.02 3n2l h THR 186 N 0.70 1.24 -0.14 1.05 2.02 -1.91 -0.48 112.91 115.39 3n2l h THR 186 Ca 0.27 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.59 3n2l h THR 186 Cb 0.18 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 3n2l h THR 186 CO -0.08 0.32 0.06 0.44 0.37 0.00 0.00 175.52 176.64 3n2l h ASP 187 N 0.90 0.19 -0.01 4.18 3.32 -1.63 -0.48 116.42 122.89 3n2l h ASP 187 Ca 0.20 -0.13 0.03 0.00 0.02 0.00 0.00 57.03 57.14 3n2l h ASP 187 Cb 0.30 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 3n2l h ASP 187 CO -0.00 0.27 -0.16 0.25 -1.72 0.00 0.00 179.24 177.88 3n2l h LEU 188 N 0.09 -0.46 -0.34 1.55 5.85 -1.17 0.15 115.31 120.99 3n2l h LEU 188 Ca 0.05 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 3n2l h LEU 188 Cb 0.14 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 3n2l h LEU 188 CO -0.01 -0.21 0.15 0.40 -0.34 0.00 0.00 178.44 178.43 3n2l h ILE 189 N -0.25 1.17 -0.83 4.05 2.04 -1.02 -1.32 117.51 121.35 3n2l h ILE 189 Ca 0.06 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.40 3n2l h ILE 189 Cb 0.32 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 3n2l h ILE 189 CO -0.16 0.19 0.53 0.74 0.00 0.00 0.00 178.15 179.45 3n2l h THR 190 N 0.41 1.22 -0.31 -0.27 2.02 -0.91 -1.15 112.91 113.92 3n2l h THR 190 Ca 0.12 -0.44 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 3n2l h THR 190 Cb 0.15 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.57 3n2l h THR 190 CO -0.01 0.22 0.19 0.22 0.37 0.00 0.00 175.52 176.50 3n2l h TYR 191 N 1.13 0.42 0.00 3.16 3.20 -0.35 -1.66 116.97 122.86 3n2l h TYR 191 Ca 0.30 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.14 3n2l h TYR 191 Cb -0.09 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.04 3n2l h TYR 191 CO -0.01 0.31 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.60 3n2l h LEU 192 N 0.40 0.00 -0.09 2.82 3.38 -0.55 -2.09 115.31 119.17 3n2l h LEU 192 Ca 0.11 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.87 3n2l h LEU 192 Cb 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3n2l h LEU 192 CO -0.02 0.15 -0.99 -0.08 0.09 0.00 0.00 178.44 177.59 3n2l h GLU 193 N 0.00 0.08 0.00 1.13 4.57 -0.66 -3.51 114.58 116.19 3n2l h GLU 193 Ca -0.00 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 3n2l h GLU 193 Cb 0.40 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 3n2l h GLU 193 CO 0.02 1.00 0.00 1.04 -1.18 0.00 0.00 179.01 179.89