#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3sdh h VAL 3 N 0.00 1.11 -0.74 -3.33 2.07 -1.90 -2.03 116.25 111.44 3sdh h VAL 3 Ca 0.00 -0.28 0.04 0.00 0.82 0.00 0.00 66.70 67.28 3sdh h VAL 3 Cb 0.00 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 29.95 3sdh h VAL 3 CO 0.00 0.15 0.45 0.22 0.02 0.00 0.00 177.57 178.41 3sdh h TYR 4 N 0.82 0.84 -0.25 1.57 3.20 -1.95 0.11 116.97 121.31 3sdh h TYR 4 Ca 0.25 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.15 3sdh h TYR 4 Cb -0.02 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 37.96 3sdh h TYR 4 CO -0.04 0.46 0.14 -0.44 -1.64 0.00 0.00 178.16 176.64 3sdh h ASP 5 N 0.86 0.23 -0.71 -2.11 3.32 -1.91 0.63 116.42 116.73 3sdh h ASP 5 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 3sdh h ASP 5 Cb 0.08 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 3sdh h ASP 5 CO -0.14 0.17 0.45 0.00 -1.72 0.00 0.00 179.24 178.01 3sdh h ALA 6 N 1.11 0.90 0.60 3.45 0.00 -0.76 -1.92 119.26 122.63 3sdh h ALA 6 Ca 0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3sdh h ALA 6 Cb -0.00 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.51 3sdh h ALA 6 CO -0.05 0.34 -0.29 0.00 0.00 0.00 0.00 179.25 179.26 3sdh h ALA 7 N 1.24 -1.03 -0.84 0.00 0.00 -0.20 -3.08 119.26 115.35 3sdh h ALA 7 Ca 0.26 -0.18 0.24 0.00 0.00 0.00 0.00 54.91 55.24 3sdh h ALA 7 Cb -0.08 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3sdh h ALA 7 CO -0.05 -0.97 0.77 0.00 0.00 0.00 0.00 179.25 178.99 3sdh h ALA 8 N -1.50 2.69 -0.05 0.00 0.00 0.23 -0.49 119.26 120.14 3sdh h ALA 8 Ca -0.08 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 3sdh h ALA 8 Cb 0.62 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3sdh h ALA 8 CO 0.13 -1.20 -0.59 -0.56 0.00 0.00 0.00 179.25 177.03 3sdh h GLN 9 N 0.00 0.17 -6.22 0.00 -0.00 -1.25 -3.46 115.11 104.35 3sdh h GLN 9 Ca 0.40 -0.11 -0.65 0.00 -0.00 0.00 0.00 58.65 58.29 3sdh h GLN 9 Cb 1.93 0.02 0.01 0.00 -0.00 0.00 0.00 27.48 29.44 3sdh h GLN 9 CO -0.00 0.71 1.09 1.28 -0.00 0.00 0.00 178.83 181.90 3sdh n LEU 10 N -3.87 3.15 -4.98 0.06 4.77 -0.20 -4.95 117.00 110.99 3sdh n LEU 10 Ca -0.02 0.95 -0.24 0.00 -0.03 0.00 0.00 56.01 56.68 3sdh n LEU 10 Cb 0.60 -1.32 0.09 0.00 -2.33 0.00 0.00 43.42 40.46 3sdh n LEU 10 CO 0.43 -0.18 0.53 0.42 -1.33 0.00 0.00 177.39 177.26 3sdh s THR 11 N 4.25 2.28 0.29 -5.08 -4.23 -1.26 -4.81 115.64 107.07 3sdh s THR 11 Ca 0.95 -0.54 -0.01 0.00 -1.18 0.00 0.00 61.69 60.91 3sdh s THR 11 Cb -0.78 -2.74 0.28 0.00 1.34 0.00 0.00 72.50 70.59 3sdh s THR 11 CO 0.55 0.00 1.90 0.00 -0.54 0.00 0.00 174.62 176.53 3sdh h ALA 12 N -0.44 1.45 -0.31 3.99 0.00 -1.99 0.88 119.26 122.84 3sdh h ALA 12 Ca -0.39 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.31 3sdh h ALA 12 Cb 1.28 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3sdh h ALA 12 CO 0.46 0.42 -0.50 -0.44 0.00 0.00 0.00 179.25 179.18 3sdh h ASP 13 N 1.11 0.99 -0.48 0.00 3.32 -1.99 -1.13 116.42 118.24 3sdh h ASP 13 Ca 0.40 -0.52 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 3sdh h ASP 13 Cb 0.15 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3sdh h ASP 13 CO -0.15 1.31 0.20 0.58 -1.72 0.00 0.00 179.24 179.46 3sdh h VAL 14 N 0.69 1.20 -0.95 -1.35 2.07 -1.78 -1.31 116.25 114.83 3sdh h VAL 14 Ca 0.03 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 3sdh h VAL 14 Cb 1.11 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 3sdh h VAL 14 CO 0.12 0.24 0.59 0.11 0.02 0.00 0.00 177.57 178.64 3sdh h LYS 15 N 0.63 1.27 -0.24 1.57 1.57 -0.72 0.11 116.57 120.77 3sdh h LYS 15 Ca 0.16 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3sdh h LYS 15 Cb 0.18 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 3sdh h LYS 15 CO -0.01 0.87 0.13 -0.22 -0.57 0.00 0.00 179.45 179.65 3sdh h LYS 16 N 1.30 0.26 -0.45 3.15 1.63 -0.98 -0.23 116.57 121.25 3sdh h LYS 16 Ca 0.34 -0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 60.04 3sdh h LYS 16 Cb -0.09 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.46 3sdh h LYS 16 CO -0.07 0.17 -0.08 -0.44 -3.45 0.00 0.00 179.45 175.59 3sdh h ASP 17 N 0.27 0.77 -0.20 4.20 3.32 -0.75 0.11 116.42 124.14 3sdh h ASP 17 Ca 0.09 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 3sdh h ASP 17 Cb 0.01 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 3sdh h ASP 17 CO -0.05 0.89 0.12 -0.07 -1.72 0.00 0.00 179.24 178.40 3sdh h LEU 18 N 0.72 0.24 -0.44 1.55 3.38 -0.47 -1.48 115.31 118.81 3sdh h LEU 18 Ca 0.13 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3sdh h LEU 18 Cb 0.55 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3sdh h LEU 18 CO 0.03 0.22 0.09 0.03 0.09 0.00 0.00 178.44 178.90 3sdh h ARG 19 N 0.23 0.71 -0.39 1.13 3.08 -0.71 0.54 114.38 118.98 3sdh h ARG 19 Ca 0.07 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3sdh h ARG 19 Cb 0.03 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3sdh h ARG 19 CO -0.01 0.73 0.25 -0.44 -1.07 0.00 0.00 179.97 179.43 3sdh h ASP 20 N 0.58 0.45 0.32 7.04 3.32 -0.76 -0.95 116.42 126.42 3sdh h ASP 20 Ca 0.13 -0.02 -0.18 0.00 0.02 0.00 0.00 57.03 56.98 3sdh h ASP 20 Cb 0.35 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3sdh h ASP 20 CO 0.01 0.33 -0.74 0.77 -1.72 0.00 0.00 179.24 177.89 3sdh h SER 21 N 0.52 0.43 0.01 6.45 4.64 -1.16 -3.11 113.55 121.33 3sdh h SER 21 Ca 0.14 -0.29 -0.05 0.00 -0.47 0.00 0.00 61.79 61.13 3sdh h SER 21 Cb -0.05 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 3sdh h SER 21 CO -0.03 1.03 -0.11 -0.25 -0.87 0.00 0.00 176.83 176.59 3sdh h TRP 22 N 0.24 0.24 -0.92 4.77 2.91 -0.61 -0.19 115.95 122.38 3sdh h TRP 22 Ca -0.03 -0.02 0.18 0.00 1.13 0.00 0.00 58.89 60.15 3sdh h TRP 22 Cb 1.32 -0.07 -0.08 0.00 -0.51 0.00 0.00 29.16 29.82 3sdh h TRP 22 CO 0.04 0.35 0.60 0.87 -1.03 0.00 0.00 178.44 179.26 3sdh h LYS 23 N 0.22 0.56 0.00 2.65 1.57 -1.10 0.42 116.57 120.90 3sdh h LYS 23 Ca 0.05 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 3sdh h LYS 23 Cb 0.34 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3sdh h LYS 23 CO 0.02 0.37 -0.57 0.28 -0.57 0.00 0.00 179.45 178.98 3sdh h VAL 24 N 0.57 0.39 -0.25 0.50 2.07 -1.47 -3.32 116.25 114.75 3sdh h VAL 24 Ca 0.49 -1.42 -0.08 0.00 0.82 0.00 0.00 66.70 66.51 3sdh h VAL 24 Cb 0.98 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 3sdh h VAL 24 CO -0.23 0.13 -0.18 0.40 0.02 0.00 0.00 177.57 177.71 3sdh h ILE 25 N -1.00 1.24 -0.00 4.57 1.08 -0.96 -1.83 117.51 120.61 3sdh h ILE 25 Ca -0.09 -1.09 0.00 0.00 -0.39 0.00 0.00 64.86 63.29 3sdh h ILE 25 Cb 0.67 1.25 0.00 0.00 -3.07 0.00 0.00 36.82 35.67 3sdh h ILE 25 CO -0.06 0.35 -0.01 0.61 -0.69 0.00 0.00 178.15 178.35 3sdh n GLY 26 N -0.57 -1.08 0.06 5.37 0.00 0.15 -3.36 105.19 105.76 3sdh n GLY 26 Ca -0.00 -0.19 0.13 0.00 0.00 0.00 0.00 46.02 45.96 3sdh n GLY 26 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3sdh n SER 27 N -1.08 0.59 -3.55 1.61 3.41 -0.69 -4.15 113.62 109.76 3sdh n SER 27 Ca 0.19 0.38 -0.27 0.00 -0.26 0.00 0.00 58.87 58.91 3sdh n SER 27 Cb 0.18 -0.42 -0.11 0.00 -0.26 0.00 0.00 64.21 63.61 3sdh n SER 27 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3sdh s ASP 28 N -4.00 2.48 0.16 4.04 2.15 -1.21 -4.98 116.67 115.31 3sdh s ASP 28 Ca 0.10 -3.32 -0.11 0.00 0.43 0.00 0.00 52.55 49.66 3sdh s ASP 28 Cb 0.14 -0.81 0.04 0.00 -0.30 0.00 0.00 42.92 41.99 3sdh s ASP 28 CO 0.62 -0.14 1.62 0.11 -0.17 0.00 0.00 175.17 177.21 3sdh h LYS 29 N 5.56 0.95 0.12 4.34 1.57 -1.79 0.07 116.57 127.39 3sdh h LYS 29 Ca 0.23 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3sdh h LYS 29 Cb 0.86 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.08 3sdh h LYS 29 CO 0.48 0.95 -0.06 -0.22 -0.57 0.00 0.00 179.45 180.04 3sdh h LYS 30 N 0.82 -0.16 -0.07 3.15 3.64 -1.92 0.20 116.57 122.24 3sdh h LYS 30 Ca 0.15 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 3sdh h LYS 30 Cb 0.52 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3sdh h LYS 30 CO 0.03 -0.06 -0.06 0.78 -2.27 0.00 0.00 179.45 177.86 3sdh h GLY 31 N -0.21 0.18 1.50 5.01 0.00 -1.97 -1.59 103.07 106.00 3sdh h GLY 31 Ca -0.02 -0.19 -0.18 0.00 0.00 0.00 0.00 47.33 46.95 3sdh h GLY 31 CO 0.03 0.17 -0.68 3.43 0.00 0.00 0.00 176.54 179.48 3sdh h ASN 32 N -0.26 0.58 -0.27 0.19 2.35 -1.04 -1.97 115.58 115.18 3sdh h ASN 32 Ca 0.01 -0.36 -0.01 0.00 -0.55 0.00 0.00 56.30 55.39 3sdh h ASN 32 Cb 0.56 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 3sdh h ASN 32 CO 0.02 1.10 0.13 1.23 -1.65 0.00 0.00 177.43 178.26 3sdh h GLY 33 N 1.12 0.41 1.13 2.83 0.00 -0.57 -0.94 103.07 107.05 3sdh h GLY 33 Ca -0.02 -0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 3sdh h GLY 33 CO 0.12 0.20 0.06 -2.08 0.00 0.00 0.00 176.54 174.84 3sdh h VAL 34 N 0.30 1.26 -0.87 4.60 2.07 -1.27 -1.96 116.25 120.39 3sdh h VAL 34 Ca 0.09 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 3sdh h VAL 34 Cb 0.12 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 3sdh h VAL 34 CO -0.01 0.39 0.54 0.00 0.02 0.00 0.00 177.57 178.52 3sdh h ALA 35 N 1.08 1.11 -0.52 1.67 0.00 -1.25 0.16 119.26 121.50 3sdh h ALA 35 Ca 0.19 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3sdh h ALA 35 Cb 0.47 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3sdh h ALA 35 CO 0.02 0.55 0.33 1.25 0.00 0.00 0.00 179.25 181.40 3sdh h LEU 36 N 1.20 0.55 -0.14 0.00 5.85 -0.77 -0.46 115.31 121.53 3sdh h LEU 36 Ca 0.32 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.95 3sdh h LEU 36 Cb -0.08 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 3sdh h LEU 36 CO -0.06 0.39 -0.25 0.24 -0.34 0.00 0.00 178.44 178.42 3sdh h MET 37 N 0.66 0.42 -0.24 1.25 2.86 -0.78 -0.79 114.93 118.31 3sdh h MET 37 Ca 0.20 -0.26 -0.08 0.00 -2.06 0.00 0.00 59.70 57.50 3sdh h MET 37 Cb -0.02 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3sdh h MET 37 CO -0.07 0.85 -0.21 1.79 1.06 0.00 0.00 176.91 180.33 3sdh h THR 38 N 0.02 1.25 -0.52 2.22 1.35 -0.62 -1.45 112.91 115.17 3sdh h THR 38 Ca 0.01 -1.16 -0.06 0.00 -0.55 0.00 0.00 66.41 64.65 3sdh h THR 38 Cb 0.83 1.30 -0.02 0.00 -1.73 0.00 0.00 68.15 68.53 3sdh h THR 38 CO 0.06 0.37 0.10 0.74 -0.25 0.00 0.00 175.52 176.53 3sdh h THR 39 N 0.39 1.25 -0.48 6.82 2.02 -0.91 0.05 112.91 122.04 3sdh h THR 39 Ca 0.06 -0.91 0.07 0.00 0.77 0.00 0.00 66.41 66.40 3sdh h THR 39 Cb 0.59 0.84 -0.06 0.00 -1.74 0.00 0.00 68.15 67.78 3sdh h THR 39 CO 0.04 0.33 0.14 0.25 0.37 0.00 0.00 175.52 176.65 3sdh h LEU 40 N 0.73 0.10 -0.91 2.58 5.85 -0.56 -1.55 115.31 121.57 3sdh h LEU 40 Ca 0.16 0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.84 3sdh h LEU 40 Cb 0.38 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3sdh h LEU 40 CO 0.01 0.09 -0.39 -0.26 -0.34 0.00 0.00 178.44 177.55 3sdh h PHE 41 N 0.30 0.37 -0.24 1.25 0.04 -1.04 0.27 116.94 117.89 3sdh h PHE 41 Ca 0.23 -0.10 -0.17 0.00 2.80 0.00 0.00 57.97 60.73 3sdh h PHE 41 Cb 0.27 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.34 3sdh h PHE 41 CO -0.18 0.66 -0.52 0.00 -0.60 0.00 0.00 178.31 177.67 3sdh h ALA 42 N 1.33 0.39 0.00 2.45 0.00 -0.55 -3.20 119.26 119.68 3sdh h ALA 42 Ca 0.03 -0.50 -0.18 0.00 0.00 0.00 0.00 54.91 54.25 3sdh h ALA 42 Cb 0.80 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3sdh h ALA 42 CO 0.06 0.58 -1.31 -0.44 0.00 0.00 0.00 179.25 178.15 3sdh h ASP 43 N 0.53 0.00 -2.09 0.00 3.32 -1.24 -3.40 116.42 113.54 3sdh h ASP 43 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.48 3sdh h ASP 43 Cb 1.13 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.28 3sdh h ASP 43 CO 0.11 0.66 -0.88 0.59 -1.72 0.00 0.00 179.24 178.00 3sdh n ASN 44 N -2.99 1.79 0.24 6.45 4.13 0.96 -4.95 115.26 120.88 3sdh n ASN 44 Ca -0.09 -3.04 0.17 0.00 1.68 0.00 0.00 54.58 53.31 3sdh n ASN 44 Cb 0.87 -0.65 0.88 0.00 -1.54 0.00 0.00 39.78 39.33 3sdh n ASN 44 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 3sdh h GLN 45 N 4.04 0.00 0.00 3.52 7.50 -1.74 -0.94 115.11 127.49 3sdh h GLN 45 Ca 0.13 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.28 3sdh h GLN 45 Cb 0.78 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.31 3sdh h GLN 45 CO 0.63 0.00 0.00 -0.85 -1.50 0.00 0.00 178.83 177.11 3sdh n GLU 46 N -3.70 0.10 0.02 1.46 0.00 -1.26 -2.06 120.64 115.21 3sdh n GLU 46 Ca 0.00 0.44 0.12 0.00 0.00 0.00 0.00 57.16 57.72 3sdh n GLU 46 Cb 0.27 -1.74 0.16 0.00 0.00 0.00 0.00 31.44 30.12 3sdh n GLU 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3sdh n THR 47 N -1.95 0.15 -0.27 3.84 -2.24 -0.36 -4.34 114.28 109.12 3sdh n THR 47 Ca 0.01 -0.14 0.05 0.00 -2.27 0.00 0.00 64.05 61.70 3sdh n THR 47 Cb 0.14 0.15 0.19 0.00 -2.10 0.00 0.00 70.33 68.71 3sdh n THR 47 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3sdh h ILE 48 N 0.00 0.73 -0.49 2.28 2.04 -1.58 -1.58 117.51 118.90 3sdh h ILE 48 Ca 0.00 -0.18 0.14 0.00 1.00 0.00 0.00 64.86 65.81 3sdh h ILE 48 Cb 0.63 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 3sdh h ILE 48 CO 0.00 0.10 0.35 1.23 0.00 0.00 0.00 178.15 179.83 3sdh h GLY 49 N 0.54 0.04 2.00 5.37 0.00 -1.80 -0.67 103.07 108.55 3sdh h GLY 49 Ca 0.41 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.71 3sdh h GLY 49 CO -0.36 0.01 -0.10 -0.97 0.00 0.00 0.00 176.54 175.11 3sdh h TYR 50 N 0.03 0.00 -0.78 5.60 0.05 -1.57 -3.14 116.97 117.16 3sdh h TYR 50 Ca 0.23 0.00 -0.41 0.00 0.05 0.00 0.00 58.73 58.61 3sdh h TYR 50 Cb 0.90 0.00 -0.24 0.00 1.01 0.00 0.00 36.73 38.40 3sdh h TYR 50 CO -0.00 0.10 0.40 1.19 -1.05 0.00 0.00 178.16 178.81 3sdh n PHE 51 N -3.51 2.40 0.24 4.88 3.72 -0.26 -4.67 117.46 120.26 3sdh n PHE 51 Ca -0.01 -1.78 0.09 0.00 -0.05 0.00 0.00 57.45 55.70 3sdh n PHE 51 Cb 0.25 -0.80 0.64 0.00 -0.94 0.00 0.00 39.48 38.63 3sdh n PHE 51 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 3sdh h LYS 52 N 1.01 0.00 -0.36 -1.08 2.10 -1.66 -0.51 116.57 116.07 3sdh h LYS 52 Ca 0.50 -0.00 0.10 0.00 -2.00 0.00 0.00 60.65 59.25 3sdh h LYS 52 Cb 2.45 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.77 3sdh h LYS 52 CO 0.86 0.00 0.27 -0.09 -2.00 0.00 0.00 179.45 178.49 3sdh h ARG 53 N 0.00 0.00 -0.00 0.07 2.43 -1.90 -2.03 114.38 112.95 3sdh h ARG 53 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3sdh h ARG 53 Cb 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3sdh h ARG 53 CO -0.00 0.00 -0.02 1.28 -1.51 0.00 0.00 179.97 179.72 3sdh n LEU 54 N -4.37 0.04 0.00 3.80 4.77 -0.20 -5.01 117.00 116.03 3sdh n LEU 54 Ca 0.06 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 3sdh n LEU 54 Cb 0.45 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3sdh n LEU 54 CO 0.35 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3sdh n GLY 55 N 1.37 0.16 3.48 -0.72 0.00 -0.77 -4.40 105.19 104.31 3sdh n GLY 55 Ca 0.11 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 3sdh n GLY 55 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3sdh s ASN 56 N -4.00 6.21 0.00 1.61 3.84 -1.26 -4.85 114.94 116.50 3sdh s ASN 56 Ca 0.00 -0.97 0.14 0.00 0.21 0.00 0.00 52.86 52.24 3sdh s ASN 56 Cb 0.00 -2.45 0.64 0.00 -0.55 0.00 0.00 41.25 38.89 3sdh s ASN 56 CO 0.00 -1.50 1.45 1.33 -2.79 0.00 0.00 177.10 175.59 3sdh n VAL 57 N 6.02 0.93 0.55 -5.21 0.24 -1.26 -1.94 118.33 117.65 3sdh n VAL 57 Ca 0.01 0.23 0.12 0.00 -2.04 0.00 0.00 64.34 62.66 3sdh n VAL 57 Cb 0.47 -0.98 0.45 0.00 -1.47 0.00 0.00 33.84 32.30 3sdh n VAL 57 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3sdh n SER 58 N -1.46 0.54 0.08 -1.34 3.41 -1.26 -2.83 113.62 110.75 3sdh n SER 58 Ca 0.04 0.60 0.10 0.00 -0.26 0.00 0.00 58.87 59.35 3sdh n SER 58 Cb 0.16 -0.72 0.42 0.00 -0.26 0.00 0.00 64.21 63.81 3sdh n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3sdh n GLN 59 N -2.05 0.12 0.00 4.33 1.13 -0.82 -4.97 117.38 115.11 3sdh n GLN 59 Ca 0.04 0.33 0.00 0.00 -1.94 0.00 0.00 57.00 55.43 3sdh n GLN 59 Cb 0.29 -1.71 0.00 0.00 0.11 0.00 0.00 30.24 28.93 3sdh n GLN 59 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3sdh n GLY 60 N 0.11 2.91 0.37 1.08 0.00 -1.13 -2.43 105.19 106.11 3sdh n GLY 60 Ca 0.03 -0.28 0.20 0.00 0.00 0.00 0.00 46.02 45.96 3sdh n GLY 60 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3sdh h MET 61 N 0.00 0.00 0.00 1.61 1.85 -1.93 -0.81 114.93 115.65 3sdh h MET 61 Ca 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.07 3sdh h MET 61 Cb 0.00 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.03 3sdh h MET 61 CO 0.00 0.00 -0.07 0.00 -0.40 0.00 0.00 176.91 176.44 3sdh h ALA 62 N 1.70 1.03 -1.90 0.39 0.00 -1.90 -3.41 119.26 115.16 3sdh h ALA 62 Ca 0.21 -0.07 -0.59 0.00 0.00 0.00 0.00 54.91 54.47 3sdh h ALA 62 Cb 0.93 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.62 3sdh h ALA 62 CO -0.00 0.09 0.70 1.21 0.00 0.00 0.00 179.25 181.25 3sdh s ASN 63 N -5.86 6.61 0.23 0.00 3.84 -0.31 -4.92 114.94 114.53 3sdh s ASN 63 Ca 0.01 0.41 -0.06 0.00 0.21 0.00 0.00 52.86 53.42 3sdh s ASN 63 Cb 0.10 -2.49 0.20 0.00 -0.55 0.00 0.00 41.25 38.51 3sdh s ASN 63 CO 0.57 -1.04 1.78 0.44 -2.79 0.00 0.00 177.10 176.06 3sdh h ASP 64 N 8.89 1.04 -0.54 -4.21 3.32 -1.86 -0.24 116.42 122.82 3sdh h ASP 64 Ca -0.23 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 56.53 3sdh h ASP 64 Cb 1.07 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 3sdh h ASP 64 CO 1.04 0.95 -0.09 0.11 -1.72 0.00 0.00 179.24 179.53 3sdh h LYS 65 N 1.08 1.03 -0.57 3.56 1.57 -1.91 -0.16 116.57 121.16 3sdh h LYS 65 Ca 0.24 -0.37 -0.07 0.00 -1.87 0.00 0.00 60.65 58.59 3sdh h LYS 65 Cb 0.26 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 3sdh h LYS 65 CO -0.01 1.06 0.10 1.25 -0.57 0.00 0.00 179.45 181.27 3sdh h LEU 66 N 0.92 0.91 -0.42 2.94 5.85 -1.64 -1.13 115.31 122.73 3sdh h LEU 66 Ca 0.15 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.54 3sdh h LEU 66 Cb 0.66 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3sdh h LEU 66 CO 0.05 0.93 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.97 3sdh h ARG 67 N 0.85 0.75 -0.63 1.25 2.43 -0.80 0.37 114.38 118.60 3sdh h ARG 67 Ca 0.18 -0.25 -0.05 0.00 -0.81 0.00 0.00 59.98 59.04 3sdh h ARG 67 Cb 0.41 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 3sdh h ARG 67 CO 0.01 0.84 0.18 0.78 -1.51 0.00 0.00 179.97 180.27 3sdh h GLY 68 N 0.58 1.07 0.93 2.80 0.00 -0.94 -1.16 103.07 106.35 3sdh h GLY 68 Ca 0.12 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 3sdh h GLY 68 CO 0.02 0.60 0.11 0.84 0.00 0.00 0.00 176.54 178.11 3sdh h HIS 69 N 0.92 0.30 -0.61 5.60 -0.00 -1.05 -2.05 115.15 118.25 3sdh h HIS 69 Ca 0.20 -0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.49 3sdh h HIS 69 Cb 0.32 -0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 27.61 3sdh h HIS 69 CO 0.02 0.29 0.09 0.77 -0.00 0.00 0.00 177.93 179.11 3sdh h SER 70 N 0.22 0.98 -0.35 3.26 0.02 -0.53 0.13 113.55 117.28 3sdh h SER 70 Ca 0.07 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 3sdh h SER 70 Cb 0.10 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 3sdh h SER 70 CO -0.01 0.99 0.22 0.40 -1.14 0.00 0.00 176.83 177.29 3sdh h ILE 71 N 0.92 1.10 -0.79 3.27 2.04 -1.25 -2.61 117.51 120.20 3sdh h ILE 71 Ca 0.19 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 3sdh h ILE 71 Cb 0.43 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 3sdh h ILE 71 CO 0.01 0.10 0.38 0.74 0.00 0.00 0.00 178.15 179.38 3sdh h THR 72 N 0.46 1.24 -1.00 -0.27 2.02 -1.05 -1.73 112.91 112.59 3sdh h THR 72 Ca 0.13 -0.67 0.04 0.00 0.77 0.00 0.00 66.41 66.68 3sdh h THR 72 Cb -0.03 0.23 -0.06 0.00 -1.74 0.00 0.00 68.15 66.54 3sdh h THR 72 CO -0.03 0.29 0.65 0.25 0.37 0.00 0.00 175.52 177.05 3sdh h LEU 73 N 1.11 1.07 -1.82 2.58 6.46 -0.55 -1.13 115.31 123.04 3sdh h LEU 73 Ca 0.27 -0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 58.00 3sdh h LEU 73 Cb 0.10 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 39.79 3sdh h LEU 73 CO -0.04 0.72 -0.14 0.24 -0.62 0.00 0.00 178.44 178.60 3sdh h MET 74 N 1.24 0.00 0.00 1.25 2.86 -0.95 -0.99 114.93 118.34 3sdh h MET 74 Ca 0.41 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.96 3sdh h MET 74 Cb 0.05 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 3sdh h MET 74 CO -0.14 0.14 -0.39 1.88 1.06 0.00 0.00 176.91 179.47 3sdh h TYR 75 N 0.00 0.00 -0.43 -0.22 0.05 -0.83 0.07 116.97 115.62 3sdh h TYR 75 Ca -0.00 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.70 3sdh h TYR 75 Cb 0.30 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 3sdh h TYR 75 CO 0.00 0.39 -0.04 0.00 -1.05 0.00 0.00 178.16 177.46 3sdh h ALA 76 N 1.61 0.59 -0.52 3.88 0.00 -0.44 -0.91 119.26 123.47 3sdh h ALA 76 Ca -0.00 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 3sdh h ALA 76 Cb 1.16 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3sdh h ALA 76 CO 0.05 0.41 -0.01 -0.07 0.00 0.00 0.00 179.25 179.63 3sdh h LEU 77 N 0.62 0.87 -0.75 0.00 3.38 -1.18 -1.65 115.31 116.60 3sdh h LEU 77 Ca 0.12 -0.23 0.09 0.00 0.09 0.00 0.00 57.88 57.95 3sdh h LEU 77 Cb 0.55 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 3sdh h LEU 77 CO 0.03 0.93 0.40 -0.61 0.09 0.00 0.00 178.44 179.28 3sdh h GLN 78 N 0.82 0.66 -0.06 1.13 5.75 -0.83 -0.55 115.11 122.02 3sdh h GLN 78 Ca 0.15 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 3sdh h GLN 78 Cb 0.51 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 28.90 3sdh h GLN 78 CO 0.03 0.43 0.03 -0.97 -2.65 0.00 0.00 178.83 175.70 3sdh h ASN 79 N 0.67 0.06 -0.15 -0.69 -0.73 -0.82 0.58 115.58 114.50 3sdh h ASN 79 Ca 0.36 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.54 3sdh h ASN 79 Cb 0.36 -0.01 -0.01 0.00 0.27 0.00 0.00 38.32 38.93 3sdh h ASN 79 CO -0.26 0.04 0.10 -0.26 -0.37 0.00 0.00 177.43 176.69 3sdh h PHE 80 N 0.07 0.19 -0.67 0.67 0.04 -0.76 -1.82 116.94 114.66 3sdh h PHE 80 Ca 0.02 0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.86 3sdh h PHE 80 Cb -0.00 -0.06 -0.06 0.00 2.20 0.00 0.00 35.95 38.03 3sdh h PHE 80 CO -0.08 0.12 0.38 0.82 -0.60 0.00 0.00 178.31 178.95 3sdh h ILE 81 N 0.20 0.97 0.00 -0.55 1.08 -0.68 -1.96 117.51 116.57 3sdh h ILE 81 Ca 0.06 -0.24 -0.04 0.00 -0.39 0.00 0.00 64.86 64.24 3sdh h ILE 81 Cb -0.02 0.21 -0.01 0.00 -3.07 0.00 0.00 36.82 33.94 3sdh h ILE 81 CO -0.01 0.13 -0.21 0.44 -0.69 0.00 0.00 178.15 177.81 3sdh h ASP 82 N 0.69 0.00 -0.18 1.72 3.32 -0.32 -2.84 116.42 118.81 3sdh h ASP 82 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 3sdh h ASP 82 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3sdh h ASP 82 CO -0.19 0.21 0.00 0.00 -1.72 0.00 0.00 179.24 177.54 3sdh n GLN 83 N -3.95 1.81 -0.06 3.56 1.13 -0.74 -4.59 117.38 114.54 3sdh n GLN 83 Ca -0.02 -1.22 0.13 0.00 -1.94 0.00 0.00 57.00 53.95 3sdh n GLN 83 Cb 0.29 -1.41 0.53 0.00 0.11 0.00 0.00 30.24 29.76 3sdh n GLN 83 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3sdh h LEU 84 N 2.48 0.30 -0.45 1.08 3.38 -1.36 -1.19 115.31 119.55 3sdh h LEU 84 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3sdh h LEU 84 Cb 0.54 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3sdh h LEU 84 CO 0.00 0.18 -0.08 0.47 0.09 0.00 0.00 178.44 179.10 3sdh n ASP 85 N -4.46 0.77 -3.69 -0.43 8.00 -1.26 -4.41 116.55 111.07 3sdh n ASP 85 Ca 0.09 -0.97 -0.30 0.00 0.71 0.00 0.00 54.79 54.33 3sdh n ASP 85 Cb 0.39 -0.01 -0.13 0.00 -0.02 0.00 0.00 41.12 41.35 3sdh n ASP 85 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3sdh s ASN 86 N -2.25 3.63 0.41 -2.24 3.84 -0.45 -4.99 114.94 112.89 3sdh s ASN 86 Ca 0.34 -2.50 0.21 0.00 0.21 0.00 0.00 52.86 51.13 3sdh s ASN 86 Cb 0.21 -0.97 1.19 0.00 -0.55 0.00 0.00 41.25 41.13 3sdh s ASN 86 CO 0.42 -0.28 1.73 -0.65 -2.79 0.00 0.00 177.10 175.53 3sdh h PRO 87 N 6.87 0.30 -0.57 0.43 0.11 -1.77 0.14 132.00 137.52 3sdh h PRO 87 Ca -0.01 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.00 3sdh h PRO 87 Cb 0.94 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 3sdh h PRO 87 CO 0.46 0.20 0.07 -0.44 -0.21 0.00 0.00 178.00 178.08 3sdh h ASP 88 N 0.31 0.92 -0.13 -2.05 3.32 -1.94 0.18 116.42 117.03 3sdh h ASP 88 Ca 0.66 -0.27 -0.17 0.00 0.02 0.00 0.00 57.03 57.26 3sdh h ASP 88 Cb 1.78 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 41.10 3sdh h ASP 88 CO -0.34 0.96 -0.58 0.44 -1.72 0.00 0.00 179.24 178.00 3sdh h ASP 89 N 0.84 0.74 -0.39 6.45 3.32 -1.33 -2.75 116.42 123.31 3sdh h ASP 89 Ca 0.17 -0.63 0.07 0.00 0.02 0.00 0.00 57.03 56.66 3sdh h ASP 89 Cb 0.45 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.72 3sdh h ASP 89 CO 0.02 1.25 0.03 0.25 -1.72 0.00 0.00 179.24 179.06 3sdh h LEU 90 N 0.29 -0.10 -0.55 1.55 5.85 -0.53 -2.42 115.31 119.39 3sdh h LEU 90 Ca -0.03 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.82 3sdh h LEU 90 Cb 1.22 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.33 3sdh h LEU 90 CO 0.12 -0.01 0.27 0.58 -0.34 0.00 0.00 178.44 179.06 3sdh h VAL 91 N 0.14 0.92 0.00 1.05 2.07 -0.65 0.51 116.25 120.29 3sdh h VAL 91 Ca 0.19 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.45 3sdh h VAL 91 Cb 0.26 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3sdh h VAL 91 CO -0.29 0.09 -0.40 0.00 0.02 0.00 0.00 177.57 176.99 3sdh h VAL 93 N 0.00 1.39 -0.55 0.00 2.07 -1.09 -2.60 116.25 115.47 3sdh h VAL 93 Ca -0.00 -2.91 0.02 0.00 0.82 0.00 0.00 66.70 64.62 3sdh h VAL 93 Cb 0.80 2.96 -0.03 0.00 -1.52 0.00 0.00 31.29 33.49 3sdh h VAL 93 CO 0.05 0.86 0.34 0.58 0.02 0.00 0.00 177.57 179.43 3sdh h VAL 94 N 0.10 1.09 -0.79 2.57 2.07 -0.62 -1.60 116.25 119.07 3sdh h VAL 94 Ca -0.19 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.11 3sdh h VAL 94 Cb 2.05 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 32.11 3sdh h VAL 94 CO 0.22 0.13 0.52 -0.33 0.02 0.00 0.00 177.57 178.13 3sdh h GLU 95 N 0.69 1.02 0.13 1.57 5.08 -0.95 0.32 114.58 122.44 3sdh h GLU 95 Ca 0.22 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 3sdh h GLU 95 Cb -0.01 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.01 3sdh h GLU 95 CO -0.08 0.67 -0.06 -0.22 -1.00 0.00 0.00 179.01 178.32 3sdh h LYS 96 N 1.05 -0.17 -0.25 2.33 3.11 -1.02 -2.11 116.57 119.51 3sdh h LYS 96 Ca 0.29 0.01 -0.08 0.00 -2.81 0.00 0.00 60.65 58.06 3sdh h LYS 96 Cb -0.09 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.17 3sdh h LYS 96 CO -0.07 -0.08 -0.21 0.74 -2.81 0.00 0.00 179.45 177.03 3sdh h PHE 97 N -0.22 0.49 -0.51 1.91 0.04 -0.85 -2.55 116.94 115.24 3sdh h PHE 97 Ca -0.02 -0.09 0.08 0.00 2.80 0.00 0.00 57.97 60.74 3sdh h PHE 97 Cb 0.17 -0.13 -0.07 0.00 2.20 0.00 0.00 35.95 38.13 3sdh h PHE 97 CO -0.06 0.63 0.14 0.00 -0.60 0.00 0.00 178.31 178.42 3sdh h ALA 98 N 1.38 0.61 -0.92 2.45 0.00 -0.20 -2.33 119.26 120.25 3sdh h ALA 98 Ca 0.07 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.16 3sdh h ALA 98 Cb 0.59 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 3sdh h ALA 98 CO 0.04 -0.27 0.59 0.28 0.00 0.00 0.00 179.25 179.90 3sdh h VAL 99 N 0.29 0.99 -0.23 0.00 2.07 -0.95 0.31 116.25 118.72 3sdh h VAL 99 Ca 0.26 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.49 3sdh h VAL 99 Cb 0.32 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 3sdh h VAL 99 CO -0.30 0.17 0.16 0.78 0.02 0.00 0.00 177.57 178.40 3sdh h ASN 100 N 0.95 0.14 0.15 0.57 -0.26 -1.34 -1.58 115.58 114.20 3sdh h ASN 100 Ca 0.42 -0.00 -0.36 0.00 -0.56 0.00 0.00 56.30 55.80 3sdh h ASN 100 Cb 0.37 -0.03 -0.03 0.00 -1.06 0.00 0.00 38.32 37.57 3sdh h ASN 100 CO -0.18 0.09 -2.04 1.41 -1.06 0.00 0.00 177.43 175.65 3sdh n HIS 101 N -4.49 1.06 -0.30 1.19 8.25 -0.08 -3.92 115.22 116.91 3sdh n HIS 101 Ca 0.02 0.24 0.03 0.00 -0.26 0.00 0.00 57.72 57.75 3sdh n HIS 101 Cb 0.20 -1.14 0.17 0.00 1.12 0.00 0.00 29.99 30.33 3sdh n HIS 101 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3sdh h ILE 102 N 0.05 0.94 0.00 1.59 2.04 -0.27 -0.85 117.51 121.01 3sdh h ILE 102 Ca -0.43 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 3sdh h ILE 102 Cb 2.02 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 38.11 3sdh h ILE 102 CO 0.07 0.16 -0.05 0.71 0.00 0.00 0.00 178.15 179.03 3sdh h THR 103 N 0.85 0.20 -0.41 -0.27 1.35 -1.45 -0.78 112.91 112.39 3sdh h THR 103 Ca 0.40 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 3sdh h THR 103 Cb 0.34 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 3sdh h THR 103 CO -0.23 0.05 0.00 0.54 -0.25 0.00 0.00 175.52 175.63 3sdh n ARG 104 N -3.26 2.28 -2.59 4.72 3.00 -0.40 -4.95 116.66 115.46 3sdh n ARG 104 Ca -0.01 -1.95 -0.15 0.00 -0.01 0.00 0.00 57.85 55.73 3sdh n ARG 104 Cb 0.24 -1.47 0.01 0.00 0.00 0.00 0.00 32.46 31.25 3sdh n ARG 104 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3sdh n LYS 105 N 1.13 -2.54 -3.08 5.56 4.76 -0.30 -4.97 118.16 118.71 3sdh n LYS 105 Ca 0.19 0.65 -0.41 0.00 -2.87 0.00 0.00 58.31 55.87 3sdh n LYS 105 Cb 0.50 -4.94 -0.06 0.00 -1.84 0.00 0.00 35.03 28.70 3sdh n LYS 105 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3sdh s ILE 106 N -2.88 4.90 0.78 -0.18 -1.09 -0.74 -5.03 121.20 116.97 3sdh s ILE 106 Ca 0.13 0.85 -0.12 0.00 -2.23 0.00 0.00 60.65 59.28 3sdh s ILE 106 Cb -0.06 -4.04 0.06 0.00 -1.58 0.00 0.00 42.46 36.84 3sdh s ILE 106 CO 0.16 -0.20 1.11 -0.94 -1.23 0.00 0.00 174.94 173.83 3sdh s SER 107 N 1.68 4.65 0.22 3.58 1.04 -1.26 -4.44 113.70 119.17 3sdh s SER 107 Ca 0.26 1.20 -0.08 0.00 0.48 0.00 0.00 55.95 57.81 3sdh s SER 107 Cb -0.15 -1.92 0.28 0.00 0.10 0.00 0.00 66.02 64.33 3sdh s SER 107 CO 0.13 -1.86 1.83 0.00 0.98 0.00 0.00 173.24 174.32 3sdh h ALA 108 N -1.01 1.02 -0.63 5.32 0.00 -1.87 0.10 119.26 122.19 3sdh h ALA 108 Ca -0.47 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 3sdh h ALA 108 Cb 1.27 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 3sdh h ALA 108 CO 0.61 0.16 0.22 0.00 0.00 0.00 0.00 179.25 180.24 3sdh h ALA 109 N 1.37 0.83 -0.28 0.00 0.00 -1.95 -2.21 119.26 117.02 3sdh h ALA 109 Ca 0.33 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 3sdh h ALA 109 Cb 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3sdh h ALA 109 CO -0.17 0.48 -0.37 0.93 0.00 0.00 0.00 179.25 180.13 3sdh h GLU 110 N 0.91 0.65 -0.81 0.00 5.08 -1.79 -2.84 114.58 115.77 3sdh h GLU 110 Ca 0.21 -0.31 0.04 0.00 -1.00 0.00 0.00 59.36 58.29 3sdh h GLU 110 Cb 0.27 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 3sdh h GLU 110 CO -0.01 0.91 0.51 0.35 -1.00 0.00 0.00 179.01 179.78 3sdh h PHE 111 N 0.54 0.96 0.00 4.33 3.04 -0.58 -1.41 116.94 123.82 3sdh h PHE 111 Ca 0.05 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.03 3sdh h PHE 111 Cb 0.88 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 39.07 3sdh h PHE 111 CO 0.04 0.54 0.01 0.41 -2.02 0.00 0.00 178.31 177.29 3sdh n GLY 112 N -1.32 -0.60 0.20 2.40 0.00 -0.85 -2.23 105.19 102.79 3sdh n GLY 112 Ca 0.10 0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.32 3sdh n GLY 112 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3sdh h LYS 113 N 0.00 0.00 0.00 1.61 1.57 -1.26 -1.76 116.57 116.73 3sdh h LYS 113 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3sdh h LYS 113 Cb 0.02 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 3sdh h LYS 113 CO 0.00 0.00 -0.02 0.97 -0.57 0.00 0.00 179.45 179.83 3sdh h ILE 114 N 0.00 0.04 -0.91 1.86 6.09 -1.65 -3.18 117.51 119.75 3sdh h ILE 114 Ca 0.00 -0.60 0.04 0.00 -1.37 0.00 0.00 64.86 62.93 3sdh h ILE 114 Cb 0.12 1.58 -0.05 0.00 0.47 0.00 0.00 36.82 38.94 3sdh h ILE 114 CO 0.00 0.02 0.60 0.78 -3.07 0.00 0.00 178.15 176.47 3sdh h ASN 115 N 0.00 0.97 0.26 2.19 2.35 -1.56 -1.04 115.58 118.76 3sdh h ASN 115 Ca -0.00 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 3sdh h ASN 115 Cb 0.58 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3sdh h ASN 115 CO 0.00 0.66 -0.13 1.23 -1.65 0.00 0.00 177.43 177.55 3sdh h GLY 116 N 1.12 -0.37 0.89 2.83 0.00 -1.77 0.10 103.07 105.87 3sdh h GLY 116 Ca 0.37 0.14 0.05 0.00 0.00 0.00 0.00 47.33 47.89 3sdh h GLY 116 CO -0.12 -0.13 0.61 -2.55 0.00 0.00 0.00 176.54 174.34 3sdh h PRO 117 N -0.36 1.08 -0.41 4.80 0.11 -1.71 -1.52 132.00 133.99 3sdh h PRO 117 Ca -0.04 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.96 3sdh h PRO 117 Cb 0.28 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 3sdh h PRO 117 CO 0.06 0.71 0.05 0.82 -0.21 0.00 0.00 178.00 179.43 3sdh h ILE 118 N 1.11 1.25 -0.97 4.15 2.04 -0.95 0.00 117.51 124.14 3sdh h ILE 118 Ca 0.39 -0.91 0.05 0.00 1.00 0.00 0.00 64.86 65.39 3sdh h ILE 118 Cb 0.11 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 3sdh h ILE 118 CO -0.13 0.31 0.63 0.50 0.00 0.00 0.00 178.15 179.45 3sdh h LYS 119 N 0.53 1.14 -0.38 2.37 3.64 -0.32 -0.08 116.57 123.47 3sdh h LYS 119 Ca 0.12 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.31 3sdh h LYS 119 Cb 0.40 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3sdh h LYS 119 CO 0.01 0.76 -0.25 0.87 -2.27 0.00 0.00 179.45 178.57 3sdh h LYS 120 N 1.18 0.84 -0.43 1.90 1.57 -0.79 -0.95 116.57 119.90 3sdh h LYS 120 Ca 0.40 -0.40 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3sdh h LYS 120 Cb 0.08 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3sdh h LYS 120 CO -0.15 1.03 0.09 0.28 -0.57 0.00 0.00 179.45 180.14 3sdh h VAL 121 N 0.65 1.24 -0.49 0.50 2.07 -0.67 -0.91 116.25 118.63 3sdh h VAL 121 Ca 0.08 -0.83 0.02 0.00 0.82 0.00 0.00 66.70 66.79 3sdh h VAL 121 Cb 0.81 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3sdh h VAL 121 CO 0.07 0.29 0.30 -0.07 0.02 0.00 0.00 177.57 178.17 3sdh h LEU 122 N 0.56 0.48 -1.64 2.57 3.38 -0.92 -2.31 115.31 117.42 3sdh h LEU 122 Ca 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3sdh h LEU 122 Cb 0.34 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3sdh h LEU 122 CO 0.00 0.34 -0.08 0.00 0.09 0.00 0.00 178.44 178.79 3sdh h ALA 123 N 1.21 1.71 0.00 1.53 0.00 -0.78 0.53 119.26 123.46 3sdh h ALA 123 Ca 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3sdh h ALA 123 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3sdh h ALA 123 CO -0.08 0.22 0.00 0.66 0.00 0.00 0.00 179.25 180.05 3sdh h SER 124 N 0.12 0.00 -0.26 0.00 4.64 -0.58 -0.84 113.55 116.62 3sdh h SER 124 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3sdh h SER 124 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3sdh h SER 124 CO 0.01 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.26 3sdh n LYS 125 N -3.04 2.83 -2.07 4.77 4.76 0.03 -4.97 118.16 120.47 3sdh n LYS 125 Ca -0.02 -2.59 -0.17 0.00 -2.87 0.00 0.00 58.31 52.66 3sdh n LYS 125 Cb 0.14 -1.66 -0.03 0.00 -1.84 0.00 0.00 35.03 31.65 3sdh n LYS 125 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3sdh n ASN 126 N -0.29 -5.11 -4.63 4.39 4.13 -0.32 -5.00 115.26 108.44 3sdh n ASN 126 Ca 0.18 0.13 -0.40 0.00 1.68 0.00 0.00 54.58 56.17 3sdh n ASN 126 Cb 0.74 -4.17 -0.07 0.00 -1.54 0.00 0.00 39.78 34.73 3sdh n ASN 126 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3sdh s PHE 127 N -2.80 3.29 0.00 3.10 0.08 -0.34 -4.97 117.98 116.35 3sdh s PHE 127 Ca 0.00 0.68 0.00 0.00 0.12 0.00 0.00 56.93 57.73 3sdh s PHE 127 Cb 0.00 -2.71 0.00 0.00 -0.57 0.00 0.00 43.02 39.74 3sdh s PHE 127 CO 0.00 -0.24 0.00 0.41 -0.10 0.00 0.00 175.22 175.29 3sdh n GLY 128 N 4.25 0.25 0.36 4.36 0.00 -1.26 -2.99 105.19 110.16 3sdh n GLY 128 Ca -0.04 -1.79 0.03 0.00 0.00 0.00 0.00 46.02 44.22 3sdh n GLY 128 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3sdh h ASP 129 N 0.00 0.86 -0.92 1.61 3.32 -1.97 0.19 116.42 119.51 3sdh h ASP 129 Ca 0.00 -0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.15 3sdh h ASP 129 Cb 0.00 -0.19 -0.08 0.00 0.22 0.00 0.00 39.33 39.28 3sdh h ASP 129 CO 0.00 0.57 0.56 0.50 -1.72 0.00 0.00 179.24 179.15 3sdh h LYS 130 N 0.99 0.90 -0.14 3.56 3.64 -1.99 0.43 116.57 123.94 3sdh h LYS 130 Ca 0.34 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.47 3sdh h LYS 130 Cb 0.10 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3sdh h LYS 130 CO -0.11 0.59 -0.68 1.88 -2.27 0.00 0.00 179.45 178.86 3sdh h TYR 131 N 0.92 0.96 -0.49 1.91 0.05 -1.33 -1.96 116.97 117.03 3sdh h TYR 131 Ca 0.44 -0.42 -0.05 0.00 0.05 0.00 0.00 58.73 58.75 3sdh h TYR 131 Cb 0.39 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 3sdh h TYR 131 CO -0.03 1.24 0.10 0.00 -1.05 0.00 0.00 178.16 178.42 3sdh h ALA 132 N 0.53 1.26 -0.72 3.88 0.00 -0.68 -1.06 119.26 122.47 3sdh h ALA 132 Ca -0.04 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 3sdh h ALA 132 Cb 1.32 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 3sdh h ALA 132 CO 0.14 0.51 0.26 -0.91 0.00 0.00 0.00 179.25 179.25 3sdh h ASN 133 N 0.73 1.02 -0.36 0.00 -0.26 -0.79 -0.22 115.58 115.69 3sdh h ASN 133 Ca 0.16 -0.19 -0.01 0.00 -0.56 0.00 0.00 56.30 55.70 3sdh h ASN 133 Cb 0.29 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.27 3sdh h ASN 133 CO 0.00 0.93 0.19 0.00 -1.06 0.00 0.00 177.43 177.49 3sdh h ALA 134 N 1.12 0.47 -0.77 -0.83 0.00 -0.68 -2.02 119.26 116.55 3sdh h ALA 134 Ca 0.24 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3sdh h ALA 134 Cb 0.25 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3sdh h ALA 134 CO -0.01 0.01 0.35 -1.49 0.00 0.00 0.00 179.25 178.11 3sdh h TRP 135 N 0.45 1.11 -0.17 0.00 4.06 -0.88 -1.75 115.95 118.78 3sdh h TRP 135 Ca 0.13 -0.06 -0.01 0.00 2.06 0.00 0.00 58.89 61.01 3sdh h TRP 135 Cb 0.09 -0.34 -0.01 0.00 -1.00 0.00 0.00 29.16 27.90 3sdh h TRP 135 CO -0.02 0.82 0.04 0.00 -3.56 0.00 0.00 178.44 175.71 3sdh h ALA 136 N 1.29 1.76 -0.07 1.49 0.00 -0.74 -0.40 119.26 122.58 3sdh h ALA 136 Ca 0.26 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 3sdh h ALA 136 Cb 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3sdh h ALA 136 CO -0.03 0.19 -0.47 0.87 0.00 0.00 0.00 179.25 179.81 3sdh h LYS 137 N 0.23 0.16 -0.15 0.00 1.57 -0.59 -0.79 116.57 117.00 3sdh h LYS 137 Ca 0.06 -0.09 -0.14 0.00 -1.87 0.00 0.00 60.65 58.61 3sdh h LYS 137 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3sdh h LYS 137 CO -0.00 0.60 -0.46 1.25 -0.57 0.00 0.00 179.45 180.27 3sdh h LEU 138 N 0.13 0.67 -1.49 2.94 5.85 -0.94 -2.74 115.31 119.74 3sdh h LEU 138 Ca 0.01 -0.59 0.07 0.00 0.84 0.00 0.00 57.88 58.20 3sdh h LEU 138 Cb 0.88 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 3sdh h LEU 138 CO 0.07 1.15 0.42 0.58 -0.34 0.00 0.00 178.44 180.32 3sdh h VAL 139 N 0.23 1.00 0.00 1.05 2.07 -1.00 -1.27 116.25 118.33 3sdh h VAL 139 Ca -0.01 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 3sdh h VAL 139 Cb 1.08 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3sdh h VAL 139 CO 0.10 0.11 -0.19 0.00 0.02 0.00 0.00 177.57 177.61 3sdh h ALA 140 N 1.66 1.32 -0.29 1.67 0.00 -0.85 -0.33 119.26 122.44 3sdh h ALA 140 Ca 0.28 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3sdh h ALA 140 Cb 0.30 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3sdh h ALA 140 CO -0.09 0.23 0.11 0.28 0.00 0.00 0.00 179.25 179.79 3sdh h VAL 141 N 0.00 1.18 -0.60 0.00 2.07 -1.02 -1.15 116.25 116.73 3sdh h VAL 141 Ca -0.00 -0.57 -0.04 0.00 0.82 0.00 0.00 66.70 66.91 3sdh h VAL 141 Cb 0.44 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 3sdh h VAL 141 CO 0.02 0.19 0.24 0.58 0.02 0.00 0.00 177.57 178.62 3sdh h VAL 142 N 0.32 1.23 -0.46 2.57 2.07 -1.19 -2.75 116.25 118.04 3sdh h VAL 142 Ca 0.10 -0.72 0.09 0.00 0.82 0.00 0.00 66.70 66.98 3sdh h VAL 142 Cb 0.20 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3sdh h VAL 142 CO -0.01 0.28 0.31 1.56 0.02 0.00 0.00 177.57 179.74 3sdh h GLN 143 N 0.84 0.22 0.00 1.57 4.20 -0.79 0.21 115.11 121.36 3sdh h GLN 143 Ca 0.20 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.90 3sdh h GLN 143 Cb 0.21 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3sdh h GLN 143 CO -0.02 0.15 0.00 0.00 -0.67 0.00 0.00 178.83 178.29 3sdh h ALA 144 N 1.77 1.00 -0.02 3.87 0.00 -0.90 -1.90 119.26 123.07 3sdh h ALA 144 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3sdh h ALA 144 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3sdh h ALA 144 CO -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 179.25 179.08 3sdh n ALA 145 N -2.08 2.77 0.64 0.00 0.00 0.73 -4.55 120.51 118.03 3sdh n ALA 145 Ca -0.01 -0.63 0.08 0.00 0.00 0.00 0.00 53.44 52.87 3sdh n ALA 145 Cb 0.17 -0.87 0.06 0.00 0.00 0.00 0.00 19.45 18.82 3sdh n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78