#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cma s ASP 2 N 0.00 4.07 0.00 3.42 -1.08 -1.26 -4.99 116.67 116.82 3cma s ASP 2 Ca 0.00 -1.59 0.17 0.00 -0.52 0.00 0.00 52.55 50.61 3cma s ASP 2 Cb 0.00 -1.08 0.49 0.00 -1.46 0.00 0.00 42.92 40.87 3cma s ASP 2 CO 0.00 -0.36 1.41 0.18 0.52 0.00 0.00 175.17 176.92 3cma n LEU 3 N 4.69 2.87 -0.01 -1.34 4.77 -1.26 -4.49 117.00 122.24 3cma n LEU 3 Ca -0.03 -1.41 0.22 0.00 -0.03 0.00 0.00 56.01 54.75 3cma n LEU 3 Cb 0.43 -0.34 0.72 0.00 -2.33 0.00 0.00 43.42 41.89 3cma n LEU 3 CO 0.15 0.71 1.20 0.77 -1.33 0.00 0.00 177.39 178.89 3cma h SER 4 N 3.20 0.00 -0.03 -1.43 4.64 -1.99 0.93 113.55 118.86 3cma h SER 4 Ca 0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 3cma h SER 4 Cb 0.73 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.84 3cma h SER 4 CO 0.00 0.00 -0.94 0.00 -0.87 0.00 0.00 176.83 175.02 3cma h ALA 5 N 1.64 0.15 -0.48 5.18 0.00 -2.01 -2.91 119.26 120.83 3cma h ALA 5 Ca 0.27 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 3cma h ALA 5 Cb 1.15 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3cma h ALA 5 CO -0.00 0.64 0.21 1.96 0.00 0.00 0.00 179.25 182.06 3cma h GLN 6 N 0.35 0.68 -0.37 0.00 7.50 -1.22 -1.56 115.11 120.49 3cma h GLN 6 Ca -0.11 -0.08 0.01 0.00 0.50 0.00 0.00 58.65 58.96 3cma h GLN 6 Cb 1.60 -0.13 -0.02 0.00 0.05 0.00 0.00 27.48 28.98 3cma h GLN 6 CO 0.19 0.54 0.24 0.87 -1.50 0.00 0.00 178.83 179.17 3cma h LYS 7 N 0.68 0.48 -0.60 1.46 1.79 -1.00 0.32 116.57 119.70 3cma h LYS 7 Ca 0.17 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 3cma h LYS 7 Cb 0.10 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 30.61 3cma h LYS 7 CO -0.02 0.32 0.36 -0.09 -1.08 0.00 0.00 179.45 178.93 3cma h ARG 8 N 0.49 0.83 -0.42 3.15 2.43 -1.14 -0.13 114.38 119.59 3cma h ARG 8 Ca 0.14 -0.08 -0.15 0.00 -0.81 0.00 0.00 59.98 59.08 3cma h ARG 8 Cb -0.05 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 3cma h ARG 8 CO -0.03 0.60 -0.32 -0.07 -1.51 0.00 0.00 179.97 178.64 3cma h LEU 9 N 0.82 1.02 -1.01 3.80 3.38 -0.97 -2.80 115.31 119.55 3cma h LEU 9 Ca 0.22 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 3cma h LEU 9 Cb -0.01 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 3cma h LEU 9 CO -0.04 1.24 0.38 0.00 0.09 0.00 0.00 178.44 180.11 3cma h ALA 10 N 0.81 1.23 -0.21 1.53 0.00 0.02 0.11 119.26 122.74 3cma h ALA 10 Ca 0.08 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3cma h ALA 10 Cb 0.91 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3cma h ALA 10 CO 0.08 0.60 -0.28 0.00 0.00 0.00 0.00 179.25 179.66 3cma h ALA 11 N 1.34 1.13 -0.14 0.00 0.00 -0.96 0.19 119.26 120.82 3cma h ALA 11 Ca 0.27 -0.35 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 3cma h ALA 11 Cb 0.09 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.77 3cma h ALA 11 CO -0.04 0.55 -0.55 0.22 0.00 0.00 0.00 179.25 179.43 3cma h ASP 12 N 0.36 0.72 0.34 0.00 -0.00 -1.09 0.21 116.42 116.97 3cma h ASP 12 Ca 0.05 -0.62 -0.17 0.00 -0.00 0.00 0.00 57.03 56.29 3cma h ASP 12 Cb 0.68 -0.21 -0.01 0.00 -0.00 0.00 0.00 39.33 39.79 3cma h ASP 12 CO 0.05 1.22 -0.71 1.62 -0.00 0.00 0.00 179.24 181.42 3cma h VAL 13 N 0.27 1.40 -0.01 2.25 3.04 -0.87 -2.71 116.25 119.62 3cma h VAL 13 Ca -0.03 -2.16 0.00 0.00 -1.01 0.00 0.00 66.70 63.50 3cma h VAL 13 Cb 1.18 2.13 0.00 0.00 -2.01 0.00 0.00 31.29 32.59 3cma h VAL 13 CO 0.12 0.64 -0.05 0.18 -1.01 0.00 0.00 177.57 177.44 3cma n LEU 14 N -3.82 0.73 -3.71 3.16 4.77 0.65 -4.94 117.00 113.83 3cma n LEU 14 Ca -0.03 -0.18 -0.27 0.00 -0.03 0.00 0.00 56.01 55.50 3cma n LEU 14 Cb 0.69 -0.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.74 3cma n LEU 14 CO 0.47 0.13 -0.10 -0.67 -1.33 0.00 0.00 177.39 175.88 3cma n ASP 15 N -0.57 -3.30 -3.79 -1.43 4.64 -0.15 -4.99 116.55 106.97 3cma n ASP 15 Ca 0.18 -0.95 -0.09 0.00 -1.38 0.00 0.00 54.79 52.56 3cma n ASP 15 Cb 0.26 -3.61 -0.06 0.00 -1.04 0.00 0.00 41.12 36.67 3cma n ASP 15 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 3cma s VAL 16 N -3.62 0.12 0.25 5.18 1.01 0.55 -5.03 120.40 118.87 3cma s VAL 16 Ca 0.26 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 60.95 3cma s VAL 16 Cb -0.08 -1.29 -0.09 0.00 0.00 0.00 0.00 36.38 34.91 3cma s VAL 16 CO 0.85 -0.54 1.27 -0.83 0.00 0.00 0.00 175.10 175.85 3cma s GLY 17 N -2.84 2.74 0.35 4.51 0.00 -1.26 -4.43 107.32 106.38 3cma s GLY 17 Ca 0.04 1.11 0.16 0.00 0.00 0.00 0.00 44.72 46.04 3cma s GLY 17 CO -0.11 1.91 1.63 0.50 0.00 0.00 0.00 173.10 177.03 3cma h LYS 18 N 4.48 0.18 0.00 2.90 1.57 -1.90 0.39 116.57 124.19 3cma h LYS 18 Ca -0.46 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3cma h LYS 18 Cb 1.22 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3cma h LYS 18 CO 0.72 0.12 0.00 0.09 -0.57 0.00 0.00 179.45 179.80 3cma n ASN 19 N -5.16 0.00 -0.04 0.86 3.02 -1.26 -1.82 115.26 110.86 3cma n ASN 19 Ca 0.33 -0.19 0.01 0.00 -0.03 0.00 0.00 54.58 54.69 3cma n ASN 19 Cb 1.08 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.25 3cma n ASN 19 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3cma n ARG 20 N -0.91 -0.74 -3.31 3.52 1.74 0.14 -5.00 116.66 112.09 3cma n ARG 20 Ca 0.03 -0.59 -0.39 0.00 -0.77 0.00 0.00 57.85 56.13 3cma n ARG 20 Cb 0.01 -1.02 -0.06 0.00 -1.02 0.00 0.00 32.46 30.37 3cma n ARG 20 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3cma s VAL 21 N -0.12 4.79 -0.11 1.55 -7.23 -0.75 0.53 120.40 119.06 3cma s VAL 21 Ca 0.01 1.15 0.01 0.00 -1.81 0.00 0.00 61.98 61.34 3cma s VAL 21 Cb 0.01 -3.87 -0.02 0.00 0.56 0.00 0.00 36.38 33.07 3cma s VAL 21 CO 0.01 0.56 -0.13 0.86 -0.31 0.00 0.00 175.10 176.09 3cma s TRP 22 N -1.09 2.79 -0.12 2.82 -0.00 0.18 -4.90 118.94 118.63 3cma s TRP 22 Ca 0.28 -0.52 0.00 0.00 -0.00 0.00 0.00 56.10 55.86 3cma s TRP 22 Cb -0.19 -1.80 -0.02 0.00 -0.00 0.00 0.00 33.47 31.47 3cma s TRP 22 CO 0.18 -0.11 -0.12 -0.06 -0.00 0.00 0.00 176.95 176.83 3cma s PHE 23 N 0.09 2.81 0.01 5.86 0.08 -1.26 -1.20 117.98 124.37 3cma s PHE 23 Ca -0.06 -0.50 -0.30 0.00 0.12 0.00 0.00 56.93 56.19 3cma s PHE 23 Cb -0.15 -1.81 -0.07 0.00 -0.57 0.00 0.00 43.02 40.43 3cma s PHE 23 CO 0.04 -0.10 1.59 1.21 -0.10 0.00 0.00 175.22 177.86 3cma s ASN 24 N 0.11 6.69 0.61 1.36 3.84 -0.54 -4.86 114.94 122.15 3cma s ASN 24 Ca -0.06 2.31 0.41 0.00 0.21 0.00 0.00 52.86 55.73 3cma s ASN 24 Cb -0.15 -2.55 2.17 0.00 -0.55 0.00 0.00 41.25 40.17 3cma s ASN 24 CO 0.04 -0.85 2.24 -0.65 -2.79 0.00 0.00 177.10 175.09 3cma h PRO 25 N 8.56 0.00 -0.61 0.43 0.11 -1.98 -1.37 132.00 137.15 3cma h PRO 25 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3cma h PRO 25 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3cma h PRO 25 CO 0.93 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.11 3cma n GLU 26 N -2.95 2.74 -1.09 1.05 1.02 -1.26 -4.04 120.64 116.12 3cma n GLU 26 Ca -0.02 -2.20 0.04 0.00 -0.02 0.00 0.00 57.16 54.96 3cma n GLU 26 Cb 0.08 -1.60 0.05 0.00 -0.02 0.00 0.00 31.44 29.95 3cma n GLU 26 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3cma n ARG 27 N 1.06 0.32 -0.18 3.49 1.74 -0.52 -4.87 116.66 117.70 3cma n ARG 27 Ca 0.20 -2.05 -0.02 0.00 -0.77 0.00 0.00 57.85 55.21 3cma n ARG 27 Cb 0.61 -0.43 0.08 0.00 -1.02 0.00 0.00 32.46 31.69 3cma n ARG 27 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3cma h GLN 28 N 0.76 0.43 -0.20 5.56 4.20 -1.70 -0.11 115.11 124.05 3cma h GLN 28 Ca -0.14 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.58 3cma h GLN 28 Cb 1.62 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 29.26 3cma h GLN 28 CO 0.06 0.28 -0.04 0.78 -0.67 0.00 0.00 178.83 179.24 3cma h GLY 29 N 0.44 0.15 0.96 3.46 0.00 -1.92 0.73 103.07 106.90 3cma h GLY 29 Ca 0.26 0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.65 3cma h GLY 29 CO -0.23 -0.07 0.01 -0.55 0.00 0.00 0.00 176.54 175.70 3cma h ASP 30 N 0.01 0.03 -0.63 0.19 3.32 -1.79 -1.90 116.42 115.65 3cma h ASP 30 Ca 0.09 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 3cma h ASP 30 Cb 0.14 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 3cma h ASP 30 CO -0.19 0.06 0.34 0.40 -1.72 0.00 0.00 179.24 178.13 3cma h ILE 31 N -0.00 1.20 0.00 0.35 2.04 -0.77 -1.99 117.51 118.34 3cma h ILE 31 Ca 0.01 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.34 3cma h ILE 31 Cb 0.03 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 3cma h ILE 31 CO -0.00 0.23 -0.02 0.00 0.00 0.00 0.00 178.15 178.36 3cma h ALA 32 N 1.46 1.47 -0.00 1.87 0.00 0.12 -0.48 119.26 123.71 3cma h ALA 32 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3cma h ALA 32 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3cma h ALA 32 CO -0.04 0.02 -0.51 -0.25 0.00 0.00 0.00 179.25 178.47 3cma n ASP 33 N -3.79 0.97 -4.62 0.00 8.00 -0.76 -4.84 116.55 111.51 3cma n ASP 33 Ca -0.03 -0.77 -0.43 0.00 0.71 0.00 0.00 54.79 54.28 3cma n ASP 33 Cb 0.10 0.38 -0.03 0.00 -0.02 0.00 0.00 41.12 41.56 3cma n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cma s ALA 34 N -2.77 3.10 -0.28 2.24 0.00 -0.19 -4.82 121.76 119.04 3cma s ALA 34 Ca 0.16 0.48 -0.13 0.00 0.00 0.00 0.00 51.96 52.46 3cma s ALA 34 Cb 0.18 -3.93 -0.12 0.00 0.00 0.00 0.00 23.12 19.25 3cma s ALA 34 CO 0.66 -2.24 -0.35 -0.89 0.00 0.00 0.00 175.76 172.93 3cma n ILE 35 N 6.85 1.53 -2.75 0.00 2.08 -1.26 -4.88 119.36 120.92 3cma n ILE 35 Ca 0.21 -0.40 -0.21 0.00 0.56 0.00 0.00 62.75 62.91 3cma n ILE 35 Cb 0.45 -1.86 0.07 0.00 -0.75 0.00 0.00 39.64 37.55 3cma n ILE 35 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 3cma s THR 36 N -2.51 2.37 0.18 1.39 -4.23 -1.26 -5.00 115.64 106.58 3cma s THR 36 Ca -0.39 -0.75 -0.04 0.00 -1.18 0.00 0.00 61.69 59.33 3cma s THR 36 Cb 0.15 -2.62 -0.06 0.00 1.34 0.00 0.00 72.50 71.31 3cma s THR 36 CO 0.50 0.00 1.49 0.03 -0.54 0.00 0.00 174.62 176.10 3cma h ARG 37 N -0.07 0.58 -0.96 3.99 3.08 -1.97 -2.73 114.38 116.29 3cma h ARG 37 Ca -0.37 -0.37 0.02 0.00 0.07 0.00 0.00 59.98 59.33 3cma h ARG 37 Cb 1.28 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 31.32 3cma h ARG 37 CO 0.44 0.98 0.64 1.49 -1.07 0.00 0.00 179.97 182.45 3cma h GLU 38 N 0.45 1.25 -0.37 0.04 4.57 -1.99 0.37 114.58 118.90 3cma h GLU 38 Ca 0.01 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 3cma h GLU 38 Cb 1.10 -0.28 -0.02 0.00 -0.16 0.00 0.00 28.75 29.39 3cma h GLU 38 CO 0.11 0.82 0.15 -0.44 -1.18 0.00 0.00 179.01 178.47 3cma h ASP 39 N 1.28 0.46 -0.03 1.04 3.32 -1.90 -2.13 116.42 118.47 3cma h ASP 39 Ca 0.36 -0.04 -0.26 0.00 0.02 0.00 0.00 57.03 57.11 3cma h ASP 39 Cb -0.11 -0.12 0.02 0.00 0.22 0.00 0.00 39.33 39.34 3cma h ASP 39 CO -0.09 0.43 -0.98 0.58 -1.72 0.00 0.00 179.24 177.46 3cma h VAL 40 N 0.52 1.28 -0.91 -1.35 2.07 -0.53 -2.79 116.25 114.54 3cma h VAL 40 Ca 0.13 -2.18 -0.01 0.00 0.82 0.00 0.00 66.70 65.45 3cma h VAL 40 Cb 0.11 2.28 -0.04 0.00 -1.52 0.00 0.00 31.29 32.12 3cma h VAL 40 CO -0.01 0.68 0.51 0.03 0.02 0.00 0.00 177.57 178.80 3cma h ARG 41 N 0.43 1.25 0.55 1.57 3.08 -0.08 -1.37 114.38 119.82 3cma h ARG 41 Ca -0.11 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 59.78 3cma h ARG 41 Cb 1.63 -0.25 0.01 0.00 0.08 0.00 0.00 29.97 31.43 3cma h ARG 41 CO 0.19 0.90 -0.26 1.49 -1.07 0.00 0.00 179.97 181.22 3cma h GLU 42 N 1.26 -0.71 -0.02 0.04 4.81 -1.43 0.10 114.58 118.62 3cma h GLU 42 Ca 0.32 0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.61 3cma h GLU 42 Cb -0.00 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 3cma h GLU 42 CO -0.05 -0.43 0.05 -0.07 -0.73 0.00 0.00 179.01 177.77 3cma h LEU 43 N -0.85 0.00 -0.02 1.64 3.38 -1.34 0.43 115.31 118.55 3cma h LEU 43 Ca -0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3cma h LEU 43 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3cma h LEU 43 CO 0.12 0.00 -0.10 0.58 0.09 0.00 0.00 178.44 179.13 3cma h VAL 44 N 0.00 1.50 -0.90 1.22 2.07 -0.67 0.25 116.25 119.72 3cma h VAL 44 Ca 0.01 -1.62 -0.01 0.00 0.82 0.00 0.00 66.70 65.90 3cma h VAL 44 Cb 0.10 2.52 -0.04 0.00 -1.52 0.00 0.00 31.29 32.34 3cma h VAL 44 CO -0.00 0.43 0.50 0.44 0.02 0.00 0.00 177.57 178.97 3cma h ASP 45 N -0.51 1.12 0.19 0.57 3.32 0.11 0.21 116.42 121.43 3cma h ASP 45 Ca -0.01 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.95 3cma h ASP 45 Cb 0.76 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3cma h ASP 45 CO 0.02 0.89 0.00 -0.33 -1.72 0.00 0.00 179.24 178.10 3cma h GLU 46 N 1.26 0.00 0.00 3.56 5.08 -0.22 -3.45 114.58 120.80 3cma h GLU 46 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3cma h GLU 46 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3cma h GLU 46 CO -0.05 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.37 3cma n GLY 47 N -0.91 0.72 0.20 -3.84 0.00 0.75 -4.94 105.19 97.17 3cma n GLY 47 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 3cma n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cma h ALA 48 N 0.00 0.95 -3.10 4.61 0.00 -1.14 -3.41 119.26 117.17 3cma h ALA 48 Ca 0.00 -0.45 -0.66 0.00 0.00 0.00 0.00 54.91 53.80 3cma h ALA 48 Cb 0.00 -0.09 -0.28 0.00 0.00 0.00 0.00 17.79 17.41 3cma h ALA 48 CO 0.00 0.64 -0.75 0.42 0.00 0.00 0.00 179.25 179.56 3cma s ILE 49 N -4.09 3.10 0.33 0.00 1.01 -0.91 -1.46 121.20 119.18 3cma s ILE 49 Ca -0.05 -0.60 0.04 0.00 0.00 0.00 0.00 60.65 60.03 3cma s ILE 49 Cb 0.13 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 3cma s ILE 49 CO 0.80 0.47 0.18 -1.10 0.00 0.00 0.00 174.94 175.28 3cma s GLN 50 N 1.11 1.70 -0.12 2.79 -0.21 -0.34 -4.43 119.66 120.16 3cma s GLN 50 Ca 0.01 -1.99 0.02 0.00 0.02 0.00 0.00 55.36 53.42 3cma s GLN 50 Cb -0.14 -0.13 0.01 0.00 1.00 0.00 0.00 33.01 33.74 3cma s GLN 50 CO -0.02 -0.50 -0.18 0.00 -2.12 0.00 0.00 175.29 172.48 3cma s ALA 51 N -3.48 1.91 0.59 6.09 0.00 -1.26 0.49 121.76 126.10 3cma s ALA 51 Ca 0.34 -0.88 -0.19 0.00 0.00 0.00 0.00 51.96 51.23 3cma s ALA 51 Cb 0.04 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 3cma s ALA 51 CO 0.19 -0.09 1.19 0.21 0.00 0.00 0.00 175.76 177.26 3cma s LYS 52 N 0.97 3.00 0.57 0.00 2.47 0.19 -4.96 119.74 121.97 3cma s LYS 52 Ca -0.06 1.77 -0.16 0.00 -1.56 0.00 0.00 55.97 55.97 3cma s LYS 52 Cb -0.15 -1.94 -0.05 0.00 -1.46 0.00 0.00 37.83 34.23 3cma s LYS 52 CO -0.03 -1.17 1.02 -0.51 0.16 0.00 0.00 175.35 174.83 3cma s ASP 53 N -1.68 6.16 0.05 1.43 1.01 -1.26 -4.93 116.67 117.47 3cma s ASP 53 Ca 0.76 1.67 -0.10 0.00 0.71 0.00 0.00 52.55 55.59 3cma s ASP 53 Cb -0.29 -2.52 -0.06 0.00 1.01 0.00 0.00 42.92 41.07 3cma s ASP 53 CO 0.33 -0.90 0.38 -1.59 0.21 0.00 0.00 175.17 173.60 3cma s LYS 54 N -4.20 3.76 0.73 8.23 -2.85 -1.26 -5.07 119.74 119.08 3cma s LYS 54 Ca 0.61 0.19 -0.11 0.00 -1.00 0.00 0.00 55.97 55.66 3cma s LYS 54 Cb -0.13 -3.05 0.03 0.00 -2.06 0.00 0.00 37.83 32.62 3cma s LYS 54 CO 0.37 0.60 1.07 0.21 0.10 0.00 0.00 175.35 177.69 3cma s LYS 55 N -1.73 2.62 -0.15 1.78 2.20 -1.26 -5.08 119.74 118.13 3cma s LYS 55 Ca 0.30 0.88 -0.06 0.00 -0.36 0.00 0.00 55.97 56.73 3cma s LYS 55 Cb -0.14 -1.96 0.07 0.00 -1.51 0.00 0.00 37.83 34.29 3cma s LYS 55 CO 0.17 -1.30 0.32 0.20 -0.36 0.00 0.00 175.35 174.37 3cma s GLY 56 N -3.79 -0.21 0.26 5.54 0.00 -1.26 -5.13 107.32 102.73 3cma s GLY 56 Ca 0.59 1.16 -0.30 0.00 0.00 0.00 0.00 44.72 46.17 3cma s GLY 56 CO 0.55 2.00 1.38 0.70 0.00 0.00 0.00 173.10 177.74 3cma n ASN 57 N 5.16 2.77 -4.73 1.64 4.13 -1.26 -4.92 115.26 118.05 3cma n ASN 57 Ca -0.10 1.16 -0.41 0.00 1.68 0.00 0.00 54.58 56.90 3cma n ASN 57 Cb 0.50 -1.44 -0.04 0.00 -1.54 0.00 0.00 39.78 37.27 3cma n ASN 57 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 3cma s SER 58 N 0.17 7.29 -0.06 6.41 0.01 -1.26 -4.93 113.70 121.33 3cma s SER 58 Ca 0.65 1.93 0.18 0.00 1.31 0.00 0.00 55.95 60.03 3cma s SER 58 Cb -0.63 -2.59 0.60 0.00 0.21 0.00 0.00 66.02 63.62 3cma s SER 58 CO 0.52 -0.25 1.51 0.54 0.41 0.00 0.00 173.24 175.97 3cma n ARG 59 N 3.10 3.21 0.36 12.44 1.74 -1.26 -4.59 116.66 131.66 3cma n ARG 59 Ca 0.05 -2.66 -0.18 0.00 -0.77 0.00 0.00 57.85 54.29 3cma n ARG 59 Cb 0.48 -1.67 -0.09 0.00 -1.02 0.00 0.00 32.46 30.16 3cma n ARG 59 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3cma h GLY 60 N 3.57 -0.92 1.60 -0.13 0.00 -2.00 0.18 103.07 105.37 3cma h GLY 60 Ca 0.00 0.34 0.04 0.00 0.00 0.00 0.00 47.33 47.72 3cma h GLY 60 CO 0.12 -0.34 0.16 3.21 0.00 0.00 0.00 176.54 179.69 3cma h ARG 61 N -0.89 0.00 0.05 4.80 3.08 -2.01 -2.09 114.38 117.32 3cma h ARG 61 Ca -0.09 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 3cma h ARG 61 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 3cma h ARG 61 CO 0.15 0.00 -0.02 0.00 -1.07 0.00 0.00 179.97 179.02 3cma h ALA 62 N 1.83 -0.07 -1.01 0.04 0.00 -1.66 -3.21 119.26 115.19 3cma h ALA 62 Ca 0.07 -0.32 0.14 0.00 0.00 0.00 0.00 54.91 54.81 3cma h ALA 62 Cb 0.38 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.11 3cma h ALA 62 CO -0.00 -0.17 0.63 0.00 0.00 0.00 0.00 179.25 179.71 3cma h ARG 63 N -0.81 0.89 -0.10 0.00 3.08 0.01 0.70 114.38 118.15 3cma h ARG 63 Ca -0.01 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 3cma h ARG 63 Cb 0.65 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 3cma h ARG 63 CO 0.01 0.59 -0.21 0.93 -1.07 0.00 0.00 179.97 180.22 3cma h GLU 64 N 0.92 0.16 -0.17 0.04 5.08 -1.56 -1.73 114.58 117.32 3cma h GLU 64 Ca 0.53 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.70 3cma h GLU 64 Cb 0.63 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3cma h GLU 64 CO -0.31 0.37 -0.47 -0.09 -1.00 0.00 0.00 179.01 177.51 3cma h ARG 65 N 0.15 0.61 -0.90 2.33 2.43 -0.93 -2.63 114.38 115.44 3cma h ARG 65 Ca 0.03 -0.44 0.11 0.00 -0.81 0.00 0.00 59.98 58.87 3cma h ARG 65 Cb 0.46 0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 30.02 3cma h ARG 65 CO 0.03 1.06 0.58 1.96 -1.51 0.00 0.00 179.97 182.09 3cma h GLN 66 N 0.27 0.81 0.08 0.20 4.20 -0.67 -1.70 115.11 118.31 3cma h GLN 66 Ca -0.01 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 3cma h GLN 66 Cb 1.09 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.69 3cma h GLN 66 CO 0.10 0.54 -0.04 0.87 -0.67 0.00 0.00 178.83 179.63 3cma h LYS 67 N 0.83 -0.11 -0.44 1.46 1.57 -1.24 0.58 116.57 119.23 3cma h LYS 67 Ca 0.43 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.31 3cma h LYS 67 Cb 0.51 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.77 3cma h LYS 67 CO -0.20 0.35 -0.10 0.87 -0.57 0.00 0.00 179.45 179.80 3cma h LYS 68 N -0.62 0.01 -0.46 3.15 1.79 -1.09 0.14 116.57 119.49 3cma h LYS 68 Ca -0.01 -0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.35 3cma h LYS 68 Cb 0.51 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.15 3cma h LYS 68 CO 0.02 0.00 -0.15 0.00 -1.08 0.00 0.00 179.45 178.24 3cma h ARG 69 N 0.01 0.91 -0.18 3.15 3.08 -1.18 0.41 114.38 120.58 3cma h ARG 69 Ca 0.21 -0.37 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 3cma h ARG 69 Cb 0.32 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3cma h ARG 69 CO -0.45 1.02 0.09 0.00 -1.07 0.00 0.00 179.97 179.56 3cma h ALA 70 N 0.86 1.83 -0.01 0.04 0.00 -0.18 0.66 119.26 122.45 3cma h ALA 70 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3cma h ALA 70 Cb 0.71 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3cma h ALA 70 CO 0.05 0.15 0.00 0.98 0.00 0.00 0.00 179.25 180.43 3cma n TYR 71 N -4.48 0.01 -0.26 0.00 9.36 0.43 -4.90 117.16 117.32 3cma n TYR 71 Ca -0.00 -0.01 0.00 0.00 3.32 0.00 0.00 57.90 61.21 3cma n TYR 71 Cb 0.10 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.81 3cma n TYR 71 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3cma n GLY 72 N 1.02 0.74 4.01 2.98 0.00 0.23 -5.05 105.19 109.11 3cma n GLY 72 Ca 0.21 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.06 3cma n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3cma s HIS 73 N -2.28 2.87 -1.20 1.61 3.76 0.14 -4.58 115.29 115.60 3cma s HIS 73 Ca 0.00 -0.36 -0.08 0.00 -0.15 0.00 0.00 55.06 54.48 3cma s HIS 73 Cb 0.00 -2.31 0.01 0.00 1.11 0.00 0.00 32.58 31.39 3cma s HIS 73 CO 0.00 -0.34 1.05 1.04 -0.85 0.00 0.00 174.74 175.64 3cma n GLN 74 N -1.81 -7.08 -1.66 1.40 6.02 -1.26 -2.88 117.38 110.10 3cma n GLN 74 Ca 0.06 0.74 0.02 0.00 -0.01 0.00 0.00 57.00 57.81 3cma n GLN 74 Cb 0.59 -5.51 0.02 0.00 1.02 0.00 0.00 30.24 26.35 3cma n GLN 74 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3cma n LYS 75 N -4.50 0.27 -1.61 -1.09 5.02 -1.26 -4.91 118.16 110.09 3cma n LYS 75 Ca 0.00 -2.09 -0.30 0.00 -2.02 0.00 0.00 58.31 53.89 3cma n LYS 75 Cb 0.56 -0.17 0.07 0.00 -0.02 0.00 0.00 35.03 35.47 3cma n LYS 75 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3cma s GLY 76 N -2.13 1.64 0.50 0.72 0.00 -1.26 -4.76 107.32 102.02 3cma s GLY 76 Ca 0.29 -0.10 -0.23 0.00 0.00 0.00 0.00 44.72 44.68 3cma s GLY 76 CO -0.13 0.27 1.36 0.00 0.00 0.00 0.00 173.10 174.60 3cma n ALA 77 N -3.24 1.67 0.00 3.20 0.00 -1.26 0.58 120.51 121.47 3cma n ALA 77 Ca 0.07 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3cma n ALA 77 Cb 0.55 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.65 3cma n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cma n GLY 78 N 0.71 0.63 0.01 0.00 0.00 -1.26 -3.57 105.19 101.72 3cma n GLY 78 Ca 0.08 -1.66 0.11 0.00 0.00 0.00 0.00 46.02 44.55 3cma n GLY 78 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3cma n SER 79 N 0.00 0.30 -4.73 1.61 7.64 0.20 -4.95 113.62 113.68 3cma n SER 79 Ca 0.00 -0.18 -0.41 0.00 1.01 0.00 0.00 58.87 59.29 3cma n SER 79 Cb 0.00 1.79 -0.04 0.00 -1.01 0.00 0.00 64.21 64.95 3cma n SER 79 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3cma s ARG 80 N -3.38 4.59 -0.02 1.43 0.52 -1.14 -4.91 118.95 116.04 3cma s ARG 80 Ca -0.05 1.69 0.01 0.00 -0.52 0.00 0.00 55.73 56.86 3cma s ARG 80 Cb 0.14 -3.30 -0.02 0.00 0.52 0.00 0.00 34.95 32.29 3cma s ARG 80 CO 0.88 0.06 -0.00 1.17 0.02 0.00 0.00 175.30 177.42 3cma n LYS 81 N 2.59 2.43 -2.60 3.54 3.00 -1.26 -5.03 118.16 120.84 3cma n LYS 81 Ca 0.03 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.10 3cma n LYS 81 Cb 0.47 -1.04 0.03 0.00 0.00 0.00 0.00 35.03 34.48 3cma n LYS 81 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 3cma s GLY 82 N -3.56 1.61 0.85 3.14 0.00 -1.26 -5.07 107.32 103.03 3cma s GLY 82 Ca -0.02 -0.85 -0.11 0.00 0.00 0.00 0.00 44.72 43.74 3cma s GLY 82 CO 0.06 -0.61 1.09 1.25 0.00 0.00 0.00 173.10 174.90 3cma s LYS 83 N -4.84 1.60 0.12 2.90 2.47 -1.26 -4.82 119.74 115.90 3cma s LYS 83 Ca 0.52 0.99 -0.25 0.00 -1.56 0.00 0.00 55.97 55.68 3cma s LYS 83 Cb -0.10 -1.83 -0.07 0.00 -1.46 0.00 0.00 37.83 34.36 3cma s LYS 83 CO 0.42 -2.05 1.66 0.00 0.16 0.00 0.00 175.35 175.54 3cma h ALA 84 N -1.42 -0.27 0.00 3.13 0.00 -1.97 -1.14 119.26 117.59 3cma h ALA 84 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3cma h ALA 84 Cb 1.26 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.39 3cma h ALA 84 CO 0.53 -0.70 0.00 0.41 0.00 0.00 0.00 179.25 179.48 3cma n GLY 85 N -1.33 -0.74 0.10 0.00 0.00 -1.26 -0.68 105.19 101.28 3cma n GLY 85 Ca -0.05 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 3cma n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cma h ALA 86 N 2.01 0.54 0.00 4.61 0.00 -1.57 -3.31 119.26 121.54 3cma h ALA 86 Ca 0.00 -1.30 -0.13 0.00 0.00 0.00 0.00 54.91 53.48 3cma h ALA 86 Cb 0.01 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3cma h ALA 86 CO 0.00 1.38 -0.62 0.00 0.00 0.00 0.00 179.25 180.01 3cma h ARG 87 N 0.03 0.00 -2.31 0.00 3.08 -0.40 -3.42 114.38 111.35 3cma h ARG 87 Ca -0.26 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.64 3cma h ARG 87 Cb 1.99 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 31.75 3cma h ARG 87 CO 0.11 0.62 -0.45 -1.14 -1.07 0.00 0.00 179.97 178.05 3cma s GLN 88 N -3.42 0.30 -0.11 0.04 0.74 -0.76 -5.12 119.66 111.33 3cma s GLN 88 Ca -0.00 0.76 -0.29 0.00 0.05 0.00 0.00 55.36 55.88 3cma s GLN 88 Cb 0.12 -0.10 -0.05 0.00 1.10 0.00 0.00 33.01 34.07 3cma s GLN 88 CO 0.76 -0.43 1.72 1.21 -0.55 0.00 0.00 175.29 177.99 3cma s ASN 89 N 2.55 6.47 0.06 6.67 3.84 -1.25 -4.38 114.94 128.91 3cma s ASN 89 Ca 0.05 2.07 -0.34 0.00 0.21 0.00 0.00 52.86 54.85 3cma s ASN 89 Cb -0.14 -2.53 -0.19 0.00 -0.55 0.00 0.00 41.25 37.84 3cma s ASN 89 CO -0.13 -1.11 1.55 0.77 -2.79 0.00 0.00 177.10 175.39 3cma h SER 90 N 10.40 -0.93 -1.00 -4.21 4.64 -1.95 0.17 113.55 120.67 3cma h SER 90 Ca -0.39 0.03 0.20 0.00 -0.47 0.00 0.00 61.79 61.16 3cma h SER 90 Cb 1.18 0.24 -0.11 0.00 -0.31 0.00 0.00 62.40 63.40 3cma h SER 90 CO 0.97 -0.65 0.60 0.50 -0.87 0.00 0.00 176.83 177.38 3cma h LYS 91 N -1.14 0.71 -0.09 4.77 3.11 -1.98 0.23 116.57 122.18 3cma h LYS 91 Ca -0.11 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 57.68 3cma h LYS 91 Cb 0.85 -0.16 -0.00 0.00 -1.00 0.00 0.00 32.23 31.92 3cma h LYS 91 CO 0.19 0.47 0.03 1.49 -2.81 0.00 0.00 179.45 178.82 3cma h GLU 92 N 0.73 0.14 -0.11 1.90 4.81 -1.89 -0.96 114.58 119.21 3cma h GLU 92 Ca 0.59 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.76 3cma h GLU 92 Cb 0.94 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 3cma h GLU 92 CO -0.40 0.27 -0.06 0.22 -0.73 0.00 0.00 179.01 178.32 3cma h ASP 93 N -0.02 0.14 -0.25 1.04 3.58 0.16 -1.57 116.42 119.50 3cma h ASP 93 Ca 0.03 -0.02 -0.11 0.00 0.42 0.00 0.00 57.03 57.36 3cma h ASP 93 Cb 0.19 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.20 3cma h ASP 93 CO -0.00 0.23 -0.26 -0.25 -2.88 0.00 0.00 179.24 176.08 3cma h TRP 94 N 0.15 0.74 -0.95 0.28 2.91 -0.26 -1.41 115.95 117.42 3cma h TRP 94 Ca 0.04 -0.23 0.07 0.00 1.13 0.00 0.00 58.89 59.90 3cma h TRP 94 Cb 0.21 -0.16 -0.07 0.00 -0.51 0.00 0.00 29.16 28.63 3cma h TRP 94 CO 0.00 0.94 0.60 0.93 -1.03 0.00 0.00 178.44 179.89 3cma h GLU 95 N 0.33 1.05 0.62 2.65 5.08 -0.38 -0.08 114.58 123.85 3cma h GLU 95 Ca 0.04 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3cma h GLU 95 Cb 0.82 -0.24 0.01 0.00 0.50 0.00 0.00 28.75 29.84 3cma h GLU 95 CO 0.06 0.70 -0.30 1.03 -1.00 0.00 0.00 179.01 179.50 3cma h SER 96 N 1.09 -0.71 -0.31 1.42 0.87 -1.09 -2.67 113.55 112.14 3cma h SER 96 Ca 0.42 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 61.00 3cma h SER 96 Cb 0.19 0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 3cma h SER 96 CO -0.18 -0.50 0.20 0.03 -0.53 0.00 0.00 176.83 175.86 3cma h ARG 97 N -0.85 0.42 -0.13 2.24 3.08 -0.78 -2.45 114.38 115.90 3cma h ARG 97 Ca -0.09 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.88 3cma h ARG 97 Cb 0.64 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 3cma h ARG 97 CO 0.14 0.29 -0.17 0.97 -1.07 0.00 0.00 179.97 180.13 3cma h ILE 98 N 0.42 1.19 -0.18 2.04 -0.00 -1.07 -0.97 117.51 118.94 3cma h ILE 98 Ca 0.11 -0.87 -0.21 0.00 -0.00 0.00 0.00 64.86 63.90 3cma h ILE 98 Cb -0.03 1.28 0.01 0.00 -0.00 0.00 0.00 36.82 38.08 3cma h ILE 98 CO -0.02 0.27 -0.71 0.03 -0.00 0.00 0.00 178.15 177.71 3cma h ARG 99 N 0.20 0.77 -0.48 2.19 3.08 -1.34 -1.20 114.38 117.60 3cma h ARG 99 Ca 0.04 -0.59 -0.04 0.00 0.07 0.00 0.00 59.98 59.46 3cma h ARG 99 Cb 0.43 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 3cma h ARG 99 CO 0.03 1.20 0.13 0.00 -1.07 0.00 0.00 179.97 180.26 3cma h ALA 100 N 0.64 1.33 0.00 0.04 0.00 -0.95 0.18 119.26 120.51 3cma h ALA 100 Ca -0.03 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 3cma h ALA 100 Cb 1.33 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3cma h ALA 100 CO 0.15 0.48 -0.67 1.96 0.00 0.00 0.00 179.25 181.17 3cma h GLN 101 N 0.69 0.00 0.01 0.00 4.20 -1.05 -2.47 115.11 116.49 3cma h GLN 101 Ca 0.16 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.63 3cma h GLN 101 Cb 0.24 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 3cma h GLN 101 CO -0.01 0.67 -1.24 0.00 -0.67 0.00 0.00 178.83 177.58 3cma h ARG 102 N 0.00 0.02 -0.18 1.46 3.08 -0.64 -2.79 114.38 115.33 3cma h ARG 102 Ca -0.01 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 3cma h ARG 102 Cb 1.38 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.44 3cma h ARG 102 CO 0.09 0.86 -0.05 1.15 -1.07 0.00 0.00 179.97 180.94 3cma h THR 103 N 0.01 1.29 -0.09 2.04 2.02 -0.68 -1.65 112.91 115.84 3cma h THR 103 Ca -0.11 -1.05 0.02 0.00 0.77 0.00 0.00 66.41 66.05 3cma h THR 103 Cb 1.86 1.62 -0.04 0.00 -1.74 0.00 0.00 68.15 69.85 3cma h THR 103 CO 0.12 0.31 -0.36 0.50 0.37 0.00 0.00 175.52 176.46 3cma h LYS 104 N 0.05 -0.36 -0.77 6.66 1.63 -1.49 -0.14 116.57 122.15 3cma h LYS 104 Ca 0.04 0.02 0.13 0.00 -0.85 0.00 0.00 60.65 60.00 3cma h LYS 104 Cb 0.51 0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 32.17 3cma h LYS 104 CO 0.02 -0.24 0.51 -0.07 -3.45 0.00 0.00 179.45 176.22 3cma h LEU 105 N -0.38 0.47 -1.25 5.20 3.38 -1.52 0.67 115.31 121.89 3cma h LEU 105 Ca 0.02 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3cma h LEU 105 Cb 0.44 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3cma h LEU 105 CO -0.29 0.25 -0.36 -0.09 0.09 0.00 0.00 178.44 178.04 3cma h ARG 106 N 0.51 0.00 0.01 1.13 2.43 -0.16 -1.86 114.38 116.44 3cma h ARG 106 Ca 0.37 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.51 3cma h ARG 106 Cb 0.73 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 3cma h ARG 106 CO -0.13 0.36 -0.15 0.93 -1.51 0.00 0.00 179.97 179.47 3cma h GLU 107 N 0.00 0.08 -0.49 0.20 5.08 0.80 -3.04 114.58 117.21 3cma h GLU 107 Ca -0.00 -0.10 0.14 0.00 -1.00 0.00 0.00 59.36 58.40 3cma h GLU 107 Cb 0.68 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 3cma h GLU 107 CO 0.05 0.93 0.37 -0.07 -1.00 0.00 0.00 179.01 179.29 3cma h LEU 108 N -0.73 0.00 0.04 1.33 3.38 -1.15 -0.29 115.31 117.89 3cma h LEU 108 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3cma h LEU 108 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3cma h LEU 108 CO 0.03 0.00 -0.02 -0.09 0.09 0.00 0.00 178.44 178.45 3cma h ARG 109 N 0.00 -0.05 -0.15 1.13 2.43 -1.35 -0.61 114.38 115.78 3cma h ARG 109 Ca 0.23 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.33 3cma h ARG 109 Cb 0.96 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 3cma h ARG 109 CO -0.00 0.63 -0.27 -0.44 -1.51 0.00 0.00 179.97 178.38 3cma h ASP 110 N -0.85 0.26 0.38 -3.80 3.32 -1.38 -0.98 116.42 113.38 3cma h ASP 110 Ca -0.01 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3cma h ASP 110 Cb 0.69 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3cma h ASP 110 CO 0.01 0.54 0.00 1.21 -1.72 0.00 0.00 179.24 179.27 3cma n GLU 111 N -4.14 0.11 0.00 3.56 2.13 -0.14 -4.88 120.64 117.27 3cma n GLU 111 Ca -0.01 0.20 0.00 0.00 0.66 0.00 0.00 57.16 58.01 3cma n GLU 111 Cb 0.38 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.59 3cma n GLU 111 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3cma n GLY 112 N -0.04 3.22 0.00 8.31 0.00 -0.37 -4.96 105.19 111.34 3cma n GLY 112 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3cma n GLY 112 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3cma n THR 113 N -1.72 0.00 -3.12 2.61 -1.04 -0.28 -4.51 114.28 106.22 3cma n THR 113 Ca 0.00 1.50 -0.39 0.00 -2.04 0.00 0.00 64.05 63.12 3cma n THR 113 Cb 0.00 -2.18 -0.05 0.00 -1.82 0.00 0.00 70.33 66.28 3cma n THR 113 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3cma s LEU 114 N -5.28 4.32 0.66 -4.42 1.43 -0.96 -5.01 118.68 109.42 3cma s LEU 114 Ca 0.00 1.11 -0.13 0.00 -1.03 0.00 0.00 54.13 54.07 3cma s LEU 114 Cb 0.00 -2.98 -0.01 0.00 0.03 0.00 0.00 46.19 43.24 3cma s LEU 114 CO 0.00 -0.06 1.07 -0.94 0.23 0.00 0.00 176.35 176.65 3cma s SER 115 N 0.61 5.41 0.61 2.29 1.04 -1.26 -4.40 113.70 117.99 3cma s SER 115 Ca 0.34 1.78 0.30 0.00 0.48 0.00 0.00 55.95 58.85 3cma s SER 115 Cb -0.17 -2.52 1.70 0.00 0.10 0.00 0.00 66.02 65.12 3cma s SER 115 CO 0.16 -1.42 2.06 0.77 0.98 0.00 0.00 173.24 175.79 3cma h SER 116 N -0.18 0.00 0.59 7.02 4.64 -1.96 0.39 113.55 124.05 3cma h SER 116 Ca -0.45 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.64 3cma h SER 116 Cb 1.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3cma h SER 116 CO 0.56 0.00 -1.03 0.28 -0.87 0.00 0.00 176.83 175.77 3cma h SER 117 N 0.00 0.35 0.64 4.97 0.02 -2.00 -2.29 113.55 115.24 3cma h SER 117 Ca 0.08 -0.32 -0.27 0.00 -0.84 0.00 0.00 61.79 60.45 3cma h SER 117 Cb 0.59 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 3cma h SER 117 CO -0.00 1.17 -1.28 1.56 -1.14 0.00 0.00 176.83 177.14 3cma h GLN 118 N 0.11 0.23 -0.07 3.45 4.20 -1.37 -3.17 115.11 118.49 3cma h GLN 118 Ca -0.08 -0.39 0.02 0.00 0.06 0.00 0.00 58.65 58.27 3cma h GLN 118 Cb 1.70 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 29.61 3cma h GLN 118 CO 0.16 1.16 -0.06 -0.92 -0.67 0.00 0.00 178.83 178.50 3cma h TYR 119 N 0.06 -0.14 0.29 2.96 3.20 -0.34 -2.03 116.97 120.98 3cma h TYR 119 Ca -0.14 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.74 3cma h TYR 119 Cb 1.96 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 40.26 3cma h TYR 119 CO 0.05 -0.09 -0.46 -0.09 -1.64 0.00 0.00 178.16 175.93 3cma h ARG 120 N -0.07 -0.78 -0.84 1.82 9.65 -1.47 0.28 114.38 122.96 3cma h ARG 120 Ca 0.05 0.05 0.20 0.00 -1.10 0.00 0.00 59.98 59.19 3cma h ARG 120 Cb 0.14 0.18 -0.15 0.00 -1.39 0.00 0.00 29.97 28.75 3cma h ARG 120 CO -0.11 -0.52 0.02 0.22 2.80 0.00 0.00 179.97 182.38 3cma h ASP 121 N -0.81 -0.38 -0.08 -3.80 -0.00 -1.49 0.10 116.42 109.96 3cma h ASP 121 Ca -0.02 0.22 -0.03 0.00 -0.00 0.00 0.00 57.03 57.21 3cma h ASP 121 Cb 0.76 0.39 -0.00 0.00 -0.00 0.00 0.00 39.33 40.48 3cma h ASP 121 CO -0.16 -0.23 -0.06 -0.07 -0.00 0.00 0.00 179.24 178.72 3cma h LEU 122 N 0.09 0.19 -0.00 2.28 3.38 -0.73 -2.67 115.31 117.85 3cma h LEU 122 Ca 0.48 -0.46 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3cma h LEU 122 Cb 0.89 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.53 3cma h LEU 122 CO -0.75 0.61 -0.43 0.22 0.09 0.00 0.00 178.44 178.18 3cma h TYR 123 N -0.23 -1.21 -0.09 1.13 3.20 0.11 0.20 116.97 120.09 3cma h TYR 123 Ca 0.01 0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.95 3cma h TYR 123 Cb 0.55 0.53 -0.00 0.00 1.54 0.00 0.00 36.73 39.35 3cma h TYR 123 CO 0.08 -0.50 0.10 -0.44 -1.64 0.00 0.00 178.16 175.77 3cma h ASP 124 N -0.58 0.00 0.58 -2.11 3.32 -0.94 -0.49 116.42 116.20 3cma h ASP 124 Ca 0.05 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.81 3cma h ASP 124 Cb 0.66 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.21 3cma h ASP 124 CO -0.32 0.00 -1.35 0.11 -1.72 0.00 0.00 179.24 175.97 3cma h LYS 125 N 0.00 0.25 -0.34 3.56 1.57 -0.67 -2.75 116.57 118.19 3cma h LYS 125 Ca 0.04 -0.43 -0.01 0.00 -1.87 0.00 0.00 60.65 58.39 3cma h LYS 125 Cb 0.25 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 3cma h LYS 125 CO -0.00 1.16 0.16 0.00 -0.57 0.00 0.00 179.45 180.20 3cma h ALA 126 N 0.57 0.43 0.00 3.86 0.00 0.60 -0.50 119.26 124.22 3cma h ALA 126 Ca -0.17 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3cma h ALA 126 Cb 1.98 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.64 3cma h ALA 126 CO 0.18 -0.01 0.00 0.78 0.00 0.00 0.00 179.25 180.20 3cma h GLY 127 N 0.41 0.00 -0.08 0.00 0.00 -1.18 0.20 103.07 102.41 3cma h GLY 127 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3cma h GLY 127 CO -0.02 0.00 -0.11 0.61 0.00 0.00 0.00 176.54 177.03 3cma n GLY 128 N -0.70 -0.31 1.93 4.60 0.00 -0.29 -4.92 105.19 105.49 3cma n GLY 128 Ca -0.01 -0.41 -0.04 0.00 0.00 0.00 0.00 46.02 45.56 3cma n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cma n GLY 129 N 1.24 0.58 0.07 -0.02 0.00 0.69 -4.97 105.19 102.78 3cma n GLY 129 Ca 0.16 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 3cma n GLY 129 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3cma h GLU 130 N -0.40 0.06 -5.08 1.61 4.39 -1.41 -3.45 114.58 110.30 3cma h GLU 130 Ca -0.10 -0.10 -0.65 0.00 0.34 0.00 0.00 59.36 58.84 3cma h GLU 130 Cb 1.07 0.04 -0.24 0.00 -0.10 0.00 0.00 28.75 29.51 3cma h GLU 130 CO 0.10 1.04 -0.68 -0.06 -1.16 0.00 0.00 179.01 178.26 3cma s PHE 131 N -2.70 3.01 0.36 4.33 0.40 -1.26 -4.98 117.98 117.14 3cma s PHE 131 Ca -0.00 -0.59 0.24 0.00 -0.60 0.00 0.00 56.93 55.97 3cma s PHE 131 Cb 0.09 -2.09 1.23 0.00 0.51 0.00 0.00 43.02 42.77 3cma s PHE 131 CO 0.83 -0.33 1.99 -0.44 0.70 0.00 0.00 175.22 177.97 3cma h ASP 132 N 7.69 0.00 -5.27 1.36 3.32 -1.91 -3.47 116.42 118.15 3cma h ASP 132 Ca -0.37 0.00 0.10 0.00 0.02 0.00 0.00 57.03 56.78 3cma h ASP 132 Cb 1.17 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 3cma h ASP 132 CO 0.60 0.18 0.47 -0.94 -1.72 0.00 0.00 179.24 177.83 3cma s SER 133 N -6.32 -0.00 0.03 6.45 1.04 -1.26 -4.99 113.70 108.65 3cma s SER 133 Ca -0.02 -0.83 -0.27 0.00 0.48 0.00 0.00 55.95 55.31 3cma s SER 133 Cb 0.13 0.62 -0.17 0.00 0.10 0.00 0.00 66.02 66.70 3cma s SER 133 CO 0.62 -1.23 1.38 0.58 0.98 0.00 0.00 173.24 175.57 3cma h VAL 134 N 2.00 0.59 -0.85 5.02 2.07 -1.90 -0.63 116.25 122.56 3cma h VAL 134 Ca -0.29 -0.36 0.21 0.00 0.82 0.00 0.00 66.70 67.07 3cma h VAL 134 Cb 1.23 0.77 -0.12 0.00 -1.52 0.00 0.00 31.29 31.64 3cma h VAL 134 CO 0.37 0.07 0.30 0.00 0.02 0.00 0.00 177.57 178.33 3cma h ALA 135 N -0.24 1.26 0.00 1.67 0.00 -1.99 0.61 119.26 120.57 3cma h ALA 135 Ca -0.05 0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3cma h ALA 135 Cb 0.52 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3cma h ALA 135 CO 0.09 -0.37 -0.37 0.22 0.00 0.00 0.00 179.25 178.82 3cma h ASP 136 N 0.32 0.00 -0.15 0.00 3.58 -1.90 -0.94 116.42 117.33 3cma h ASP 136 Ca 0.52 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.86 3cma h ASP 136 Cb 0.97 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.02 3cma h ASP 136 CO -0.55 0.37 -0.32 0.25 -2.88 0.00 0.00 179.24 176.12 3cma h LEU 137 N 0.00 0.53 -0.11 2.28 5.85 0.17 -2.88 115.31 121.15 3cma h LEU 137 Ca -0.00 -0.56 -0.00 0.00 0.84 0.00 0.00 57.88 58.15 3cma h LEU 137 Cb 0.75 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 3cma h LEU 137 CO 0.05 1.00 0.06 -0.33 -0.34 0.00 0.00 178.44 178.87 3cma h GLU 138 N 0.08 0.15 -0.75 1.25 5.08 -0.56 0.51 114.58 120.34 3cma h GLU 138 Ca 0.00 -0.02 0.17 0.00 -1.00 0.00 0.00 59.36 58.52 3cma h GLU 138 Cb 0.92 -0.03 -0.12 0.00 0.50 0.00 0.00 28.75 30.01 3cma h GLU 138 CO 0.07 0.18 0.08 0.00 -1.00 0.00 0.00 179.01 178.34 3cma h ARG 139 N 0.08 0.16 -0.31 2.33 3.08 -1.20 0.26 114.38 118.77 3cma h ARG 139 Ca 0.04 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 3cma h ARG 139 Cb 0.07 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3cma h ARG 139 CO -0.01 0.10 0.05 -0.92 -1.07 0.00 0.00 179.97 178.13 3cma h TYR 140 N 0.16 0.56 -0.70 3.04 3.20 -1.21 -2.87 116.97 119.15 3cma h TYR 140 Ca 0.42 -0.08 0.04 0.00 3.14 0.00 0.00 58.73 62.26 3cma h TYR 140 Cb 0.76 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.83 3cma h TYR 140 CO -0.35 0.61 0.46 0.82 -1.64 0.00 0.00 178.16 178.06 3cma h ILE 141 N 0.35 1.09 0.00 1.81 2.04 0.14 -2.66 117.51 120.27 3cma h ILE 141 Ca 0.10 -0.28 -0.14 0.00 1.00 0.00 0.00 64.86 65.53 3cma h ILE 141 Cb 0.35 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 36.57 3cma h ILE 141 CO 0.01 0.15 -0.18 0.47 0.00 0.00 0.00 178.15 178.60 3cma n ASP 142 N -4.46 4.04 0.00 1.72 8.00 0.67 -5.08 116.55 121.44 3cma n ASP 142 Ca 0.09 -2.25 0.00 0.00 0.71 0.00 0.00 54.79 53.34 3cma n ASP 142 Cb 0.14 -1.09 0.00 0.00 -0.02 0.00 0.00 41.12 40.16 3cma n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81