#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zma h ASN -1 N 0.00 0.65 0.00 4.04 2.35 -2.05 -1.95 115.58 118.61 1zma h ASN -1 Ca 0.00 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1zma h ASN -1 Cb 0.00 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1zma h ASN -1 CO 0.00 0.22 0.00 0.00 -1.65 0.00 0.00 177.43 176.00 1zma n ALA 0 N -2.38 1.82 0.00 -0.83 0.00 -1.26 -1.44 120.51 116.42 1zma n ALA 0 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1zma n ALA 0 Cb 0.55 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1zma n ALA 0 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1zma n GLU 2 N 0.95 0.00 -0.12 0.00 -0.58 -0.74 -1.30 120.64 118.85 1zma n GLU 2 Ca 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.72 1zma n GLU 2 Cb 0.14 0.00 0.22 0.00 -0.57 0.00 0.00 31.44 31.23 1zma n GLU 2 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1zma h GLN 3 N 0.00 0.81 -0.43 3.49 5.75 -1.53 -2.18 115.11 121.02 1zma h GLN 3 Ca 0.00 -0.14 0.04 0.00 -0.15 0.00 0.00 58.65 58.40 1zma h GLN 3 Cb 0.00 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.38 1zma h GLN 3 CO 0.00 0.70 0.19 0.35 -2.65 0.00 0.00 178.83 177.42 1zma h PHE 4 N 0.79 0.35 -0.62 3.99 3.57 -1.47 0.99 116.94 124.53 1zma h PHE 4 Ca 0.18 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 1zma h PHE 4 Cb 0.23 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 1zma h PHE 4 CO 0.01 0.16 0.33 -0.07 -2.23 0.00 0.00 178.31 176.51 1zma h LEU 5 N 0.39 0.77 -0.46 0.59 3.38 -1.73 -0.31 115.31 117.94 1zma h LEU 5 Ca 0.19 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.94 1zma h LEU 5 Cb 0.13 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1zma h LEU 5 CO -0.16 0.63 -0.48 0.44 0.09 0.00 0.00 178.44 178.96 1zma h ASP 6 N 0.87 0.80 -0.20 -0.43 3.32 -1.03 -2.92 116.42 116.83 1zma h ASP 6 Ca 0.22 -0.40 -0.04 0.00 0.02 0.00 0.00 57.03 56.83 1zma h ASP 6 Cb 0.04 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1zma h ASP 6 CO -0.03 1.15 0.01 0.78 -1.72 0.00 0.00 179.24 179.43 1zma h ASN 7 N 0.58 0.42 -0.61 6.45 2.35 0.20 -2.79 115.58 122.18 1zma h ASN 7 Ca 0.03 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1zma h ASN 7 Cb 1.05 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.31 1zma h ASN 7 CO 0.10 0.48 0.00 2.30 -1.65 0.00 0.00 177.43 178.66 1zma n ILE 8 N -4.32 1.19 0.26 2.81 -5.35 -0.22 -4.44 119.36 109.29 1zma n ILE 8 Ca 0.01 -0.93 0.11 0.00 -0.27 0.00 0.00 62.75 61.67 1zma n ILE 8 Cb 0.22 0.26 0.72 0.00 -1.74 0.00 0.00 39.64 39.10 1zma n ILE 8 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 1zma h LYS 9 N 3.66 0.00 -0.40 6.28 2.10 -1.30 -0.99 116.57 125.93 1zma h LYS 9 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1zma h LYS 9 Cb 1.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.39 1zma h LYS 9 CO 0.09 0.08 0.00 -0.25 -2.00 0.00 0.00 179.45 177.37 1zma n ASP 10 N -4.03 3.46 -4.83 7.07 8.00 -1.26 -4.89 116.55 120.07 1zma n ASP 10 Ca -0.03 -1.98 -0.33 0.00 0.71 0.00 0.00 54.79 53.17 1zma n ASP 10 Cb 0.17 -0.26 -0.06 0.00 -0.02 0.00 0.00 41.12 40.95 1zma n ASP 10 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1zma s LEU 11 N -1.43 3.95 -0.32 0.64 1.43 -0.38 -4.71 118.68 117.86 1zma s LEU 11 Ca 0.38 1.51 -0.16 0.00 -1.03 0.00 0.00 54.13 54.84 1zma s LEU 11 Cb 0.22 -4.36 -0.02 0.00 0.03 0.00 0.00 46.19 42.07 1zma s LEU 11 CO 0.31 -0.33 0.41 -0.70 0.23 0.00 0.00 176.35 176.28 1zma s GLU 12 N -3.21 3.71 0.16 1.70 2.12 -0.53 -4.78 118.70 117.86 1zma s GLU 12 Ca 0.59 -0.20 -0.31 0.00 0.36 0.00 0.00 54.97 55.40 1zma s GLU 12 Cb -0.10 -3.76 -0.09 0.00 0.26 0.00 0.00 34.13 30.44 1zma s GLU 12 CO 0.17 -0.49 1.45 0.08 -0.54 0.00 0.00 175.26 175.92 1zma s VAL 13 N 2.15 2.98 0.02 3.70 1.01 -1.26 -0.83 120.40 128.18 1zma s VAL 13 Ca 0.15 0.73 -0.00 0.00 0.00 0.00 0.00 61.98 62.85 1zma s VAL 13 Cb -0.16 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1zma s VAL 13 CO 0.12 0.07 0.04 1.07 0.00 0.00 0.00 175.10 176.40 1zma n THR 14 N 3.59 0.00 -4.53 3.92 5.66 -0.11 -4.89 114.28 117.92 1zma n THR 14 Ca 0.11 -0.10 -0.25 0.00 -3.05 0.00 0.00 64.05 60.76 1zma n THR 14 Cb 0.41 0.07 -0.11 0.00 -1.55 0.00 0.00 70.33 69.15 1zma n THR 14 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1zma s THR 15 N -2.62 1.74 0.51 1.09 -4.23 -1.26 -4.37 115.64 106.50 1zma s THR 15 Ca 0.02 -2.04 0.25 0.00 -1.18 0.00 0.00 61.69 58.74 1zma s THR 15 Cb -0.00 -2.82 0.30 0.00 1.34 0.00 0.00 72.50 71.32 1zma s THR 15 CO 0.01 -0.07 2.15 -0.37 -0.54 0.00 0.00 174.62 175.81 1zma h VAL 16 N 1.97 0.68 -0.87 2.29 -1.51 -1.97 -1.84 116.25 115.00 1zma h VAL 16 Ca -0.42 -0.24 -0.01 0.00 -1.23 0.00 0.00 66.70 64.79 1zma h VAL 16 Cb 1.24 1.15 -0.04 0.00 -2.13 0.00 0.00 31.29 31.51 1zma h VAL 16 CO 0.74 0.06 0.50 0.58 -1.23 0.00 0.00 177.57 178.22 1zma h VAL 17 N 0.00 1.25 -0.30 7.19 2.07 -1.95 -1.16 116.25 123.34 1zma h VAL 17 Ca -0.00 -0.58 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 1zma h VAL 17 Cb 0.14 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 1zma h VAL 17 CO 0.01 0.27 -0.03 -0.09 0.02 0.00 0.00 177.57 177.75 1zma h ARG 18 N 1.22 0.47 -0.42 1.57 9.65 -1.74 -0.50 114.38 124.63 1zma h ARG 18 Ca 0.31 -0.10 -0.09 0.00 -1.10 0.00 0.00 59.98 59.00 1zma h ARG 18 Cb -0.01 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.49 1zma h ARG 18 CO -0.05 0.52 -0.10 0.00 2.80 0.00 0.00 179.97 183.14 1zma h ALA 19 N 1.53 0.58 -0.66 2.80 0.00 -1.35 -2.01 119.26 120.15 1zma h ALA 19 Ca 0.10 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1zma h ALA 19 Cb 0.34 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1zma h ALA 19 CO 0.01 0.45 0.32 0.37 0.00 0.00 0.00 179.25 180.41 1zma h GLN 20 N 0.63 0.93 -0.56 0.00 5.75 -0.87 -1.65 115.11 119.34 1zma h GLN 20 Ca 0.11 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1zma h GLN 20 Cb 0.63 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.97 1zma h GLN 20 CO 0.04 0.72 0.36 1.49 -2.65 0.00 0.00 178.83 178.79 1zma h GLU 21 N 0.93 0.75 -0.91 1.69 4.81 -0.89 -0.36 114.58 120.59 1zma h GLU 21 Ca 0.23 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1zma h GLU 21 Cb 0.09 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 1zma h GLU 21 CO -0.03 0.51 0.58 0.00 -0.73 0.00 0.00 179.01 179.34 1zma h ALA 22 N 1.19 1.15 -0.43 2.92 0.00 -0.92 0.12 119.26 123.29 1zma h ALA 22 Ca 0.20 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1zma h ALA 22 Cb -0.06 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 1zma h ALA 22 CO -0.04 0.58 0.06 1.25 0.00 0.00 0.00 179.25 181.10 1zma h LEU 23 N 1.24 0.69 -0.53 0.00 5.85 -0.91 -0.96 115.31 120.69 1zma h LEU 23 Ca 0.33 -0.26 -0.16 0.00 0.84 0.00 0.00 57.88 58.62 1zma h LEU 23 Cb -0.10 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 1zma h LEU 23 CO -0.07 0.78 -0.60 0.44 -0.34 0.00 0.00 178.44 178.65 1zma h ASP 24 N 0.57 0.52 0.02 1.25 3.32 -0.68 -3.17 116.42 118.25 1zma h ASP 24 Ca 0.13 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1zma h ASP 24 Cb 0.39 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1zma h ASP 24 CO 0.01 0.99 -0.03 0.29 -1.72 0.00 0.00 179.24 178.78 1zma n LYS 25 N -3.92 1.51 -3.65 3.56 5.02 0.38 -4.94 118.16 116.12 1zma n LYS 25 Ca -0.03 -0.85 -0.25 0.00 -2.02 0.00 0.00 58.31 55.16 1zma n LYS 25 Cb 0.63 -1.48 0.07 0.00 -0.02 0.00 0.00 35.03 34.22 1zma n LYS 25 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1zma n LYS 26 N -0.00 -7.38 -2.45 1.97 5.02 -0.77 -5.01 118.16 109.54 1zma n LYS 26 Ca 0.18 0.78 -0.28 0.00 -2.02 0.00 0.00 58.31 56.97 1zma n LYS 26 Cb 0.34 -5.80 0.01 0.00 -0.02 0.00 0.00 35.03 29.56 1zma n LYS 26 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1zma s GLU 27 N -6.37 3.47 -0.22 1.97 2.02 -0.44 -4.40 118.70 114.73 1zma s GLU 27 Ca 0.60 0.28 -0.10 0.00 0.02 0.00 0.00 54.97 55.77 1zma s GLU 27 Cb -0.27 -2.30 -0.05 0.00 0.10 0.00 0.00 34.13 31.61 1zma s GLU 27 CO 0.74 -0.35 0.15 0.99 0.02 0.00 0.00 175.26 176.81 1zma s THR 28 N -2.87 5.38 -0.05 3.63 2.01 -1.26 -3.95 115.64 118.53 1zma s THR 28 Ca 0.50 0.19 -0.28 0.00 0.31 0.00 0.00 61.69 62.40 1zma s THR 28 Cb -0.10 -3.49 0.06 0.00 0.01 0.00 0.00 72.50 68.98 1zma s THR 28 CO 0.47 0.38 0.63 0.00 -0.69 0.00 0.00 174.62 175.41 1zma s ALA 29 N 0.79 -1.63 -0.03 7.40 0.00 -0.38 -5.01 121.76 122.91 1zma s ALA 29 Ca 0.08 1.20 0.04 0.00 0.00 0.00 0.00 51.96 53.28 1zma s ALA 29 Cb -0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 1zma s ALA 29 CO 0.02 -0.35 -0.15 0.99 0.00 0.00 0.00 175.76 176.27 1zma s THR 30 N -1.15 1.23 -0.05 0.00 2.01 -1.26 -0.98 115.64 115.44 1zma s THR 30 Ca -0.11 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 61.28 1zma s THR 30 Cb -0.01 -1.05 0.02 0.00 0.01 0.00 0.00 72.50 71.47 1zma s THR 30 CO 0.09 0.36 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.93 1zma s PHE 31 N -0.09 1.01 -0.33 4.92 0.08 0.50 -1.31 117.98 122.76 1zma s PHE 31 Ca 0.00 -0.32 -0.14 0.00 0.12 0.00 0.00 56.93 56.60 1zma s PHE 31 Cb -0.09 -0.79 -0.02 0.00 -0.57 0.00 0.00 43.02 41.55 1zma s PHE 31 CO 0.01 -0.20 0.30 0.12 -0.10 0.00 0.00 175.22 175.35 1zma s PHE 32 N 0.68 3.22 -0.22 0.36 5.36 0.41 -0.64 117.98 127.14 1zma s PHE 32 Ca -0.11 -0.04 -0.08 0.00 -0.96 0.00 0.00 56.93 55.74 1zma s PHE 32 Cb -0.14 -2.55 -0.04 0.00 -0.34 0.00 0.00 43.02 39.95 1zma s PHE 32 CO 0.01 -0.35 0.09 0.42 -1.46 0.00 0.00 175.22 173.93 1zma s ILE 33 N 1.88 4.73 -0.62 3.12 1.01 -0.19 -0.73 121.20 130.40 1zma s ILE 33 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.70 1zma s ILE 33 Cb -0.17 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.12 1zma s ILE 33 CO 0.11 0.38 0.00 0.61 0.00 0.00 0.00 174.94 176.04 1zma n GLY 34 N 4.28 -1.28 2.97 6.18 0.00 -0.74 -1.07 105.19 115.53 1zma n GLY 34 Ca -0.16 -0.92 -0.17 0.00 0.00 0.00 0.00 46.02 44.77 1zma n GLY 34 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1zma s ARG 35 N -0.88 0.52 0.52 1.61 1.70 -1.26 -0.57 118.95 120.59 1zma s ARG 35 Ca 0.00 -0.21 0.21 0.00 -0.47 0.00 0.00 55.73 55.26 1zma s ARG 35 Cb 0.00 -0.51 1.32 0.00 -0.57 0.00 0.00 34.95 35.19 1zma s ARG 35 CO 0.00 0.11 2.05 -0.22 -1.08 0.00 0.00 175.30 176.17 1zma h LYS 36 N 6.10 0.03 0.00 3.89 3.64 -1.99 -2.40 116.57 125.84 1zma h LYS 36 Ca -0.30 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1zma h LYS 36 Cb 1.18 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1zma h LYS 36 CO 0.50 0.02 0.00 0.25 -2.27 0.00 0.00 179.45 177.95 1zma n THR 37 N -4.44 0.07 -3.75 1.00 -2.24 -1.26 -4.79 114.28 98.87 1zma n THR 37 Ca 0.05 0.02 -0.36 0.00 -2.27 0.00 0.00 64.05 61.48 1zma n THR 37 Cb 0.40 -0.55 -0.11 0.00 -2.10 0.00 0.00 70.33 67.97 1zma n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1zma h PRO 39 N 7.77 0.00 0.10 0.00 0.13 -1.88 -0.60 132.00 137.51 1zma h PRO 39 Ca -0.37 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.48 1zma h PRO 39 Cb 1.18 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.33 1zma h PRO 39 CO 0.62 0.00 -1.18 1.88 -0.23 0.00 0.00 178.00 179.08 1zma h TYR 40 N 0.00 0.83 -0.98 1.56 0.05 -1.94 -0.78 116.97 115.72 1zma h TYR 40 Ca 0.00 -0.52 0.00 0.00 0.05 0.00 0.00 58.73 58.26 1zma h TYR 40 Cb 0.01 -0.07 -0.05 0.00 1.01 0.00 0.00 36.73 37.63 1zma h TYR 40 CO 0.00 1.37 0.62 0.00 -1.05 0.00 0.00 178.16 179.10 1zma h ARG 42 N 1.33 1.10 -0.03 0.00 3.08 -0.89 0.17 114.38 119.15 1zma h ARG 42 Ca 0.35 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1zma h ARG 42 Cb -0.12 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.82 1zma h ARG 42 CO -0.07 1.04 0.02 -0.22 -1.07 0.00 0.00 179.97 179.66 1zma h LYS 43 N 1.02 0.03 -0.71 0.04 1.63 -0.85 -2.07 116.57 115.66 1zma h LYS 43 Ca 0.19 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 1zma h LYS 43 Cb 0.50 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.09 1zma h LYS 43 CO 0.02 0.05 0.45 0.35 -3.45 0.00 0.00 179.45 176.87 1zma h PHE 44 N 0.01 0.91 -0.36 1.91 3.57 -1.08 -2.27 116.94 119.62 1zma h PHE 44 Ca 0.01 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1zma h PHE 44 Cb 0.02 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.44 1zma h PHE 44 CO -0.07 0.59 0.14 0.00 -2.23 0.00 0.00 178.31 176.75 1zma h ALA 45 N 1.24 1.57 -0.21 2.41 0.00 -0.79 -0.24 119.26 123.25 1zma h ALA 45 Ca 0.26 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1zma h ALA 45 Cb -0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1zma h ALA 45 CO -0.05 0.34 0.13 0.78 0.00 0.00 0.00 179.25 180.44 1zma h GLY 46 N 0.67 0.30 0.92 0.00 0.00 -0.79 0.80 103.07 104.97 1zma h GLY 46 Ca 0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 1zma h GLY 46 CO -0.01 0.12 0.12 -0.84 0.00 0.00 0.00 176.54 175.93 1zma h THR 47 N 0.26 1.20 -0.79 4.70 2.02 -1.16 -2.81 112.91 116.33 1zma h THR 47 Ca 0.08 -0.65 -0.04 0.00 0.77 0.00 0.00 66.41 66.57 1zma h THR 47 Cb 0.01 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 1zma h THR 47 CO -0.01 0.22 0.33 0.25 0.37 0.00 0.00 175.52 176.68 1zma h LEU 48 N 0.42 1.08 -1.39 2.58 5.85 -0.96 -2.34 115.31 120.54 1zma h LEU 48 Ca 0.11 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.68 1zma h LEU 48 Cb 0.23 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1zma h LEU 48 CO -0.01 0.95 0.40 0.77 -0.34 0.00 0.00 178.44 180.22 1zma h SER 49 N 1.15 0.71 -0.31 1.25 4.64 -0.63 0.16 113.55 120.51 1zma h SER 49 Ca 0.27 -0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.44 1zma h SER 49 Cb 0.20 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1zma h SER 49 CO -0.02 0.51 -0.31 1.23 -0.87 0.00 0.00 176.83 177.37 1zma h GLY 50 N 0.84 0.83 0.89 -0.77 0.00 -1.21 -1.79 103.07 101.86 1zma h GLY 50 Ca 0.22 -0.85 0.02 0.00 0.00 0.00 0.00 47.33 46.73 1zma h GLY 50 CO -0.05 0.76 0.32 -2.08 0.00 0.00 0.00 176.54 175.49 1zma h VAL 51 N 0.52 1.06 -0.56 4.60 2.07 -0.89 -0.11 116.25 122.94 1zma h VAL 51 Ca 0.05 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 1zma h VAL 51 Cb 0.89 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1zma h VAL 51 CO 0.08 0.11 0.21 0.58 0.02 0.00 0.00 177.57 178.57 1zma h VAL 52 N 0.63 1.23 -0.67 2.57 2.07 -0.96 -0.40 116.25 120.73 1zma h VAL 52 Ca 0.21 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 1zma h VAL 52 Cb 0.01 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1zma h VAL 52 CO -0.09 0.28 0.26 0.00 0.02 0.00 0.00 177.57 178.04 1zma h ALA 53 N 1.06 0.87 -0.39 1.67 0.00 -1.02 0.20 119.26 121.65 1zma h ALA 53 Ca 0.18 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1zma h ALA 53 Cb 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1zma h ALA 53 CO -0.01 0.50 0.02 1.49 0.00 0.00 0.00 179.25 181.25 1zma h GLU 54 N 0.95 0.67 0.00 0.00 4.81 -0.73 -3.32 114.58 116.96 1zma h GLU 54 Ca 0.22 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1zma h GLU 54 Cb 0.23 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1zma h GLU 54 CO -0.02 0.75 -1.36 0.25 -0.73 0.00 0.00 179.01 177.91 1zma n THR 55 N -4.49 0.13 -2.70 0.32 -2.24 -0.18 -4.96 114.28 100.15 1zma n THR 55 Ca -0.01 -0.32 -0.20 0.00 -2.27 0.00 0.00 64.05 61.25 1zma n THR 55 Cb 0.27 0.22 0.01 0.00 -2.10 0.00 0.00 70.33 68.72 1zma n THR 55 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1zma n LYS 56 N -2.06 -3.00 -1.76 -0.78 4.76 0.68 -4.97 118.16 111.04 1zma n LYS 56 Ca 0.00 0.85 -0.32 0.00 -2.87 0.00 0.00 58.31 55.97 1zma n LYS 56 Cb 0.48 -5.58 0.04 0.00 -1.84 0.00 0.00 35.03 28.13 1zma n LYS 56 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1zma s ALA 57 N -3.00 2.55 -0.36 7.82 0.00 -1.23 -5.03 121.76 122.51 1zma s ALA 57 Ca 0.14 0.41 -0.12 0.00 0.00 0.00 0.00 51.96 52.39 1zma s ALA 57 Cb -0.06 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.80 1zma s ALA 57 CO 0.17 -1.19 0.22 -1.58 0.00 0.00 0.00 175.76 173.38 1zma s HIS 58 N -2.53 3.23 -0.02 0.00 2.46 -1.26 -4.93 115.29 112.25 1zma s HIS 58 Ca 0.64 -0.70 0.04 0.00 0.47 0.00 0.00 55.06 55.51 1zma s HIS 58 Cb -0.18 -2.46 -0.01 0.00 -0.13 0.00 0.00 32.58 29.81 1zma s HIS 58 CO 0.43 -0.56 -0.13 0.42 -2.47 0.00 0.00 174.74 172.44 1zma s ILE 59 N 1.61 1.03 0.29 0.89 -1.09 -1.26 -4.71 121.20 117.96 1zma s ILE 59 Ca 0.04 -0.54 -0.05 0.00 -2.23 0.00 0.00 60.65 57.87 1zma s ILE 59 Cb -0.18 -0.87 -0.05 0.00 -1.58 0.00 0.00 42.46 39.77 1zma s ILE 59 CO 0.08 0.30 0.55 -0.31 -1.23 0.00 0.00 174.94 174.33 1zma s TYR 60 N -0.19 3.48 -0.09 3.97 2.02 -0.43 -1.45 117.35 124.66 1zma s TYR 60 Ca 0.03 0.63 0.04 0.00 -0.37 0.00 0.00 57.07 57.40 1zma s TYR 60 Cb -0.06 -2.09 -0.00 0.00 -0.40 0.00 0.00 41.96 39.40 1zma s TYR 60 CO -0.00 0.17 -0.23 0.12 -1.57 0.00 0.00 175.55 174.04 1zma s PHE 61 N -2.10 2.47 -0.21 2.71 5.36 -0.01 -0.45 117.98 125.76 1zma s PHE 61 Ca 0.44 -0.98 -0.00 0.00 -0.96 0.00 0.00 56.93 55.42 1zma s PHE 61 Cb -0.11 -1.65 0.02 0.00 -0.34 0.00 0.00 43.02 40.94 1zma s PHE 61 CO 0.30 -0.39 -0.14 0.42 -1.46 0.00 0.00 175.22 173.95 1zma s ILE 62 N 0.32 2.44 -0.39 3.12 1.01 0.09 -0.93 121.20 126.86 1zma s ILE 62 Ca -0.17 -0.94 -0.29 0.00 0.00 0.00 0.00 60.65 59.25 1zma s ILE 62 Cb -0.17 -2.12 0.01 0.00 0.01 0.00 0.00 42.46 40.18 1zma s ILE 62 CO 0.08 0.41 1.39 0.21 0.00 0.00 0.00 174.94 177.03 1zma s ASN 63 N 1.31 6.40 0.00 3.58 2.47 -1.26 -1.79 114.94 125.65 1zma s ASN 63 Ca 0.03 0.92 0.20 0.00 0.42 0.00 0.00 52.86 54.42 1zma s ASN 63 Cb -0.15 -2.54 1.05 0.00 -1.45 0.00 0.00 41.25 38.16 1zma s ASN 63 CO -0.09 -1.36 1.60 -1.54 -3.72 0.00 0.00 177.10 171.98 1zma n SER 64 N 8.58 0.00 -1.06 -4.21 3.41 0.26 -2.48 113.62 118.13 1zma n SER 64 Ca 0.16 -0.19 0.04 0.00 -0.26 0.00 0.00 58.87 58.63 1zma n SER 64 Cb 0.48 -0.20 0.12 0.00 -0.26 0.00 0.00 64.21 64.35 1zma n SER 64 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1zma n GLU 65 N -1.20 0.96 -1.84 4.33 0.28 -1.26 -5.00 120.64 116.90 1zma n GLU 65 Ca 0.11 -2.77 -0.43 0.00 -0.16 0.00 0.00 57.16 53.91 1zma n GLU 65 Cb 0.13 -0.94 -0.03 0.00 1.43 0.00 0.00 31.44 32.03 1zma n GLU 65 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1zma s GLU 66 N -1.88 3.76 0.23 3.44 2.56 -1.03 -4.90 118.70 120.88 1zma s GLU 66 Ca 0.36 2.08 -0.10 0.00 0.00 0.00 0.00 54.97 57.32 1zma s GLU 66 Cb 0.38 -4.16 0.35 0.00 2.00 0.00 0.00 34.13 32.70 1zma s GLU 66 CO -0.11 -1.36 1.64 -1.35 -0.56 0.00 0.00 175.26 173.52 1zma h PRO 67 N 11.69 0.07 0.00 4.30 0.11 -1.96 -0.80 132.00 145.42 1zma h PRO 67 Ca -0.41 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1zma h PRO 67 Cb 1.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1zma h PRO 67 CO 0.97 0.05 0.00 -1.13 -0.21 0.00 0.00 178.00 177.68 1zma n SER 68 N -5.36 0.00 -0.48 -2.05 3.41 -1.26 -2.68 113.62 105.20 1zma n SER 68 Ca 0.11 0.35 0.05 0.00 -0.26 0.00 0.00 58.87 59.11 1zma n SER 68 Cb 0.40 -0.41 0.10 0.00 -0.26 0.00 0.00 64.21 64.04 1zma n SER 68 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1zma n GLN 69 N -1.41 2.19 -0.15 4.33 -0.06 -0.31 -4.80 117.38 117.17 1zma n GLN 69 Ca 0.04 -1.71 -0.07 0.00 -2.00 0.00 0.00 57.00 53.26 1zma n GLN 69 Cb 0.11 -1.21 -0.01 0.00 -4.06 0.00 0.00 30.24 25.07 1zma n GLN 69 CO 0.00 0.00 0.00 1.25 -0.20 0.00 0.00 177.06 178.11 1zma h LEU 70 N 1.71 -1.10 -0.20 1.69 6.46 -1.50 0.51 115.31 122.88 1zma h LEU 70 Ca 0.00 0.20 -0.04 0.00 -0.12 0.00 0.00 57.88 57.93 1zma h LEU 70 Cb 0.61 0.53 -0.01 0.00 -0.73 0.00 0.00 40.66 41.06 1zma h LEU 70 CO 0.00 -0.31 -0.02 0.78 -0.62 0.00 0.00 178.44 178.27 1zma h ASN 71 N -0.21 0.35 -0.66 1.25 2.35 -1.88 -1.94 115.58 114.84 1zma h ASN 71 Ca 0.20 -0.33 -0.05 0.00 -0.55 0.00 0.00 56.30 55.56 1zma h ASN 71 Cb 0.54 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.79 1zma h ASN 71 CO -0.59 0.60 0.21 0.44 -1.65 0.00 0.00 177.43 176.43 1zma h ASP 72 N 0.10 0.97 -0.30 5.81 3.32 -1.85 -1.68 116.42 122.79 1zma h ASP 72 Ca 0.05 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 1zma h ASP 72 Cb 0.43 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1zma h ASP 72 CO 0.01 0.92 0.06 -0.07 -1.72 0.00 0.00 179.24 178.44 1zma h LEU 73 N 0.96 0.46 -0.98 1.55 3.38 -0.83 -1.43 115.31 118.42 1zma h LEU 73 Ca 0.21 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1zma h LEU 73 Cb 0.30 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1zma h LEU 73 CO -0.01 0.58 0.09 1.56 0.09 0.00 0.00 178.44 180.75 1zma h GLN 74 N 0.32 0.83 -0.20 1.13 7.50 -1.10 -0.94 115.11 122.65 1zma h GLN 74 Ca 0.09 -0.19 -0.03 0.00 0.50 0.00 0.00 58.65 59.02 1zma h GLN 74 Cb 0.31 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 27.72 1zma h GLN 74 CO 0.00 0.78 -0.01 0.00 -1.50 0.00 0.00 178.83 178.10 1zma h ALA 75 N 1.30 0.27 -0.44 3.87 0.00 -1.14 -1.96 119.26 121.16 1zma h ALA 75 Ca 0.17 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1zma h ALA 75 Cb 0.35 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1zma h ALA 75 CO 0.01 0.00 0.14 0.35 0.00 0.00 0.00 179.25 179.75 1zma h PHE 76 N 0.11 0.71 -0.32 0.00 3.57 -1.09 0.12 116.94 120.04 1zma h PHE 76 Ca 0.06 -0.07 -0.10 0.00 3.53 0.00 0.00 57.97 61.38 1zma h PHE 76 Cb 0.42 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1zma h PHE 76 CO 0.04 0.64 -0.21 0.00 -2.23 0.00 0.00 178.31 176.55 1zma h ARG 77 N 0.58 0.61 -0.04 1.11 3.08 -1.17 -0.79 114.38 117.75 1zma h ARG 77 Ca 0.14 -0.23 -0.14 0.00 0.07 0.00 0.00 59.98 59.83 1zma h ARG 77 Cb 0.27 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.29 1zma h ARG 77 CO -0.00 0.78 -0.53 1.03 -1.07 0.00 0.00 179.97 180.18 1zma h SER 78 N 0.54 0.54 -0.80 7.04 0.87 -1.18 0.83 113.55 121.40 1zma h SER 78 Ca 0.08 -0.71 0.04 0.00 -1.23 0.00 0.00 61.79 59.98 1zma h SER 78 Cb 0.66 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 62.40 1zma h SER 78 CO 0.05 1.17 0.50 -0.09 -0.53 0.00 0.00 176.83 177.92 1zma h ARG 79 N -0.04 0.92 -0.31 2.24 2.43 -0.56 -3.10 114.38 115.96 1zma h ARG 79 Ca -0.05 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1zma h ARG 79 Cb 1.21 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1zma h ARG 79 CO 0.11 0.61 0.00 0.66 -1.51 0.00 0.00 179.97 179.84 1zma n TYR 80 N -4.62 0.40 -2.19 2.20 4.01 -0.32 -5.00 117.16 111.64 1zma n TYR 80 Ca 0.10 -0.23 -0.05 0.00 -0.16 0.00 0.00 57.90 57.55 1zma n TYR 80 Cb 0.12 -0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.17 1zma n TYR 80 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1zma n GLY 81 N 1.25 0.20 2.51 2.72 0.00 -0.58 -4.91 105.19 106.37 1zma n GLY 81 Ca 0.16 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1zma n GLY 81 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1zma n ILE 82 N -2.08 2.04 0.55 -0.61 5.41 0.18 -4.93 119.36 119.93 1zma n ILE 82 Ca -0.04 -5.13 0.13 0.00 1.00 0.00 0.00 62.75 58.70 1zma n ILE 82 Cb 0.54 -1.82 0.44 0.00 -0.71 0.00 0.00 39.64 38.10 1zma n ILE 82 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1zma n PRO 83 N 0.62 0.23 -4.27 0.38 -0.04 -1.26 -4.74 135.00 125.92 1zma n PRO 83 Ca 0.29 0.29 -0.16 0.00 -0.04 0.00 0.00 63.50 63.87 1zma n PRO 83 Cb 0.43 -1.83 -0.10 0.00 -0.04 0.00 0.00 33.50 31.96 1zma n PRO 83 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1zma s THR 84 N -3.18 1.33 0.16 0.52 -4.23 -1.26 -5.16 115.64 103.83 1zma s THR 84 Ca 0.08 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.69 1zma s THR 84 Cb 0.11 -1.80 -0.04 0.00 1.34 0.00 0.00 72.50 72.11 1zma s THR 84 CO 0.52 -0.63 -0.16 0.68 -0.54 0.00 0.00 174.62 174.49 1zma s VAL 85 N -2.92 2.86 0.50 2.29 -7.23 -1.26 -4.26 120.40 110.37 1zma s VAL 85 Ca 0.16 -1.68 -0.21 0.00 -1.81 0.00 0.00 61.98 58.44 1zma s VAL 85 Cb -0.00 -2.36 -0.06 0.00 0.56 0.00 0.00 36.38 34.51 1zma s VAL 85 CO 0.03 -0.02 1.17 -2.16 -0.31 0.00 0.00 175.10 173.80 1zma s PRO 86 N -2.51 3.54 0.02 4.82 0.04 -1.26 -4.68 135.00 134.97 1zma s PRO 86 Ca 0.21 1.76 0.08 0.00 0.04 0.00 0.00 61.00 63.08 1zma s PRO 86 Cb -0.09 -2.24 -0.02 0.00 0.04 0.00 0.00 34.50 32.18 1zma s PRO 86 CO 0.12 -0.73 -0.23 0.20 0.04 0.00 0.00 177.00 176.40 1zma s GLY 87 N -1.48 1.20 -0.11 0.56 0.00 -0.23 -3.79 107.32 103.48 1zma s GLY 87 Ca 0.68 -1.09 0.02 0.00 0.00 0.00 0.00 44.72 44.32 1zma s GLY 87 CO 0.33 -0.97 -0.16 -0.12 0.00 0.00 0.00 173.10 172.18 1zma s PHE 88 N -0.71 1.98 -0.13 1.90 5.36 -0.29 -1.02 117.98 125.08 1zma s PHE 88 Ca 0.09 -0.91 0.00 0.00 -0.96 0.00 0.00 56.93 55.15 1zma s PHE 88 Cb -0.09 -1.42 0.02 0.00 -0.34 0.00 0.00 43.02 41.19 1zma s PHE 88 CO 0.01 -0.46 -0.13 0.08 -1.46 0.00 0.00 175.22 173.26 1zma s VAL 89 N 0.92 1.46 -0.18 3.12 1.01 0.19 -1.27 120.40 125.64 1zma s VAL 89 Ca -0.08 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 1zma s VAL 89 Cb -0.15 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1zma s VAL 89 CO -0.00 0.44 -0.14 -2.28 0.00 0.00 0.00 175.10 173.12 1zma s HIS 90 N 1.43 2.84 -0.14 5.22 2.46 -0.06 -0.37 115.29 126.66 1zma s HIS 90 Ca 0.03 -1.23 -0.00 0.00 0.47 0.00 0.00 55.06 54.33 1zma s HIS 90 Cb -0.13 -1.97 -0.01 0.00 -0.13 0.00 0.00 32.58 30.34 1zma s HIS 90 CO -0.08 -0.62 -0.13 0.42 -2.47 0.00 0.00 174.74 171.86 1zma s ILE 91 N 1.19 3.02 -0.24 0.89 1.01 -0.15 -0.80 121.20 126.13 1zma s ILE 91 Ca 0.02 -0.67 -0.26 0.00 0.00 0.00 0.00 60.65 59.75 1zma s ILE 91 Cb -0.14 -2.27 0.07 0.00 0.01 0.00 0.00 42.46 40.12 1zma s ILE 91 CO -0.06 0.52 0.72 0.28 0.00 0.00 0.00 174.94 176.40 1zma s THR 92 N 0.45 0.00 -1.59 2.92 -1.32 -0.52 -1.25 115.64 114.33 1zma s THR 92 Ca -0.10 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.26 1zma s THR 92 Cb -0.16 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 69.93 1zma s THR 92 CO 0.05 0.00 0.70 -0.67 -2.21 0.00 0.00 174.62 172.49 1zma n ASP 93 N 2.46 -2.62 -0.07 8.08 2.03 -1.26 -0.90 116.55 124.27 1zma n ASP 93 Ca -0.15 -0.98 -0.01 0.00 0.52 0.00 0.00 54.79 54.18 1zma n ASP 93 Cb 0.55 -3.00 -0.00 0.00 -0.72 0.00 0.00 41.12 37.95 1zma n ASP 93 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1zma n GLY 94 N -1.62 0.38 3.43 0.27 0.00 -1.26 -4.99 105.19 101.40 1zma n GLY 94 Ca -0.04 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1zma n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1zma s GLN 95 N -0.99 2.42 -0.06 1.61 -1.52 -0.08 -4.98 119.66 116.07 1zma s GLN 95 Ca 0.00 -0.76 0.04 0.00 -1.95 0.00 0.00 55.36 52.69 1zma s GLN 95 Cb 0.00 -2.30 -0.02 0.00 -0.22 0.00 0.00 33.01 30.47 1zma s GLN 95 CO 0.00 0.60 -0.16 -1.50 -0.25 0.00 0.00 175.29 173.98 1zma s ILE 96 N -0.68 2.88 -0.06 1.08 2.07 -1.26 -1.44 121.20 123.79 1zma s ILE 96 Ca 0.11 -0.78 0.03 0.00 -1.41 0.00 0.00 60.65 58.59 1zma s ILE 96 Cb -0.11 -2.12 0.01 0.00 0.13 0.00 0.00 42.46 40.37 1zma s ILE 96 CO 0.00 0.58 -0.15 0.21 -1.91 0.00 0.00 174.94 173.67 1zma s ASN 97 N -0.55 2.03 -0.07 4.50 2.47 0.02 -5.00 114.94 118.35 1zma s ASN 97 Ca 0.08 -0.34 0.03 0.00 0.42 0.00 0.00 52.86 53.05 1zma s ASN 97 Cb -0.11 -0.82 0.00 0.00 -1.45 0.00 0.00 41.25 38.87 1zma s ASN 97 CO 0.01 0.08 -0.17 -0.69 -3.72 0.00 0.00 177.10 172.62 1zma s VAL 98 N 0.43 1.47 -0.05 -5.21 1.01 -1.26 -0.89 120.40 115.91 1zma s VAL 98 Ca -0.12 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1zma s VAL 98 Cb -0.15 -1.29 0.02 0.00 0.00 0.00 0.00 36.38 34.97 1zma s VAL 98 CO 0.04 0.43 -0.03 -0.60 0.00 0.00 0.00 175.10 174.94 1zma s ARG 99 N 0.35 0.69 -0.74 2.72 3.52 -0.40 -4.98 118.95 120.12 1zma s ARG 99 Ca -0.12 -0.03 -0.06 0.00 -0.13 0.00 0.00 55.73 55.39 1zma s ARG 99 Cb -0.15 -0.81 0.19 0.00 -1.56 0.00 0.00 34.95 32.62 1zma s ARG 99 CO 0.04 -0.14 0.60 0.00 -0.81 0.00 0.00 175.30 175.00 1zma s ASP 101 N 1.05 -1.56 0.52 0.00 -1.08 -1.25 -5.00 116.67 109.35 1zma s ASP 101 Ca 0.19 0.21 0.35 0.00 -0.52 0.00 0.00 52.55 52.78 1zma s ASP 101 Cb -0.15 2.00 1.77 0.00 -1.46 0.00 0.00 42.92 45.07 1zma s ASP 101 CO -0.06 -0.29 2.06 0.77 0.52 0.00 0.00 175.17 178.17 1zma h SER 102 N 7.96 0.00 -3.36 -0.34 4.64 -1.87 -3.49 113.55 117.10 1zma h SER 102 Ca -0.02 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.74 1zma h SER 102 Cb 1.19 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.22 1zma h SER 102 CO 0.14 0.00 0.07 -0.94 -0.87 0.00 0.00 176.83 175.23 1zma s SER 103 N -4.92 6.95 0.30 4.97 1.04 -1.26 -3.92 113.70 116.86 1zma s SER 103 Ca -0.02 1.14 0.03 0.00 0.48 0.00 0.00 55.95 57.59 1zma s SER 103 Cb 0.10 -2.40 -0.06 0.00 0.10 0.00 0.00 66.02 63.76 1zma s SER 103 CO 0.39 -0.11 0.06 -0.94 0.98 0.00 0.00 173.24 173.62 1zma s SER 105 N 0.79 2.09 0.18 7.02 1.04 -1.26 -5.10 113.70 118.45 1zma s SER 105 Ca 0.36 -1.36 -0.13 0.00 0.48 0.00 0.00 55.95 55.30 1zma s SER 105 Cb -0.17 -0.03 0.14 0.00 0.10 0.00 0.00 66.02 66.06 1zma s SER 105 CO 0.17 -0.61 1.77 0.00 0.98 0.00 0.00 173.24 175.55 1zma h ALA 106 N 2.21 0.61 -0.55 5.32 0.00 -2.00 -0.11 119.26 124.75 1zma h ALA 106 Ca -0.40 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1zma h ALA 106 Cb 1.24 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1zma h ALA 106 CO 0.67 -0.15 0.21 0.37 0.00 0.00 0.00 179.25 180.35 1zma h GLN 107 N 0.43 0.83 -0.59 0.00 4.15 -1.99 -1.12 115.11 116.81 1zma h GLN 107 Ca 0.22 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 1zma h GLN 107 Cb 0.17 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 1zma h GLN 107 CO -0.18 0.73 0.33 1.49 -1.93 0.00 0.00 178.83 179.26 1zma h GLU 108 N 0.75 0.82 -0.20 1.69 4.81 -1.86 -0.25 114.58 120.34 1zma h GLU 108 Ca 0.18 -0.09 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1zma h GLU 108 Cb 0.22 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1zma h GLU 108 CO -0.01 0.62 0.10 0.82 -0.73 0.00 0.00 179.01 179.81 1zma h ILE 109 N 0.80 1.00 -0.19 2.32 2.04 -0.85 -0.62 117.51 122.01 1zma h ILE 109 Ca 0.21 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 66.01 1zma h ILE 109 Cb 0.03 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1zma h ILE 109 CO -0.03 0.04 0.09 0.11 0.00 0.00 0.00 178.15 178.35 1zma h LYS 110 N 0.21 0.19 -0.34 2.37 1.57 -0.94 -1.02 116.57 118.62 1zma h LYS 110 Ca 0.08 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1zma h LYS 110 Cb 0.02 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.23 1zma h LYS 110 CO -0.06 0.13 -0.01 -0.44 -0.57 0.00 0.00 179.45 178.50 1zma h ASP 111 N 0.20 -0.17 -0.34 0.86 3.32 -0.87 -0.56 116.42 118.85 1zma h ASP 111 Ca 0.08 0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 1zma h ASP 111 Cb 0.02 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1zma h ASP 111 CO -0.05 -0.05 0.02 0.15 -1.72 0.00 0.00 179.24 177.59 1zma h PHE 112 N 0.08 0.72 -0.23 4.55 3.57 -0.79 -2.85 116.94 121.99 1zma h PHE 112 Ca 0.17 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1zma h PHE 112 Cb 0.23 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1zma h PHE 112 CO -0.25 0.67 0.00 0.00 -2.23 0.00 0.00 178.31 176.50 1zma n ALA 113 N -2.47 2.48 -2.38 2.41 0.00 -0.41 -4.85 120.51 115.28 1zma n ALA 113 Ca 0.02 -0.73 -0.14 0.00 0.00 0.00 0.00 53.44 52.59 1zma n ALA 113 Cb 0.27 -0.97 -0.00 0.00 0.00 0.00 0.00 19.45 18.74 1zma n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1zma n GLY 114 N 1.32 -0.20 0.54 0.00 0.00 -0.35 -5.01 105.19 101.49 1zma n GLY 114 Ca 0.17 -0.26 0.14 0.00 0.00 0.00 0.00 46.02 46.07 1zma n GLY 114 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36