#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yma s LEU 2 N 0.00 3.77 0.45 0.99 1.02 -1.26 -5.14 118.68 118.51 1yma s LEU 2 Ca 0.00 -0.36 0.07 0.00 0.02 0.00 0.00 54.13 53.87 1yma s LEU 2 Cb 0.00 -2.57 -0.00 0.00 0.02 0.00 0.00 46.19 43.64 1yma s LEU 2 CO 0.00 -0.53 0.41 -0.94 0.02 0.00 0.00 176.35 175.31 1yma s SER 3 N -4.19 4.95 0.11 2.29 1.04 -1.26 -4.97 113.70 111.67 1yma s SER 3 Ca 0.47 -0.86 -0.34 0.00 0.48 0.00 0.00 55.95 55.70 1yma s SER 3 Cb -0.08 -0.30 -0.13 0.00 0.10 0.00 0.00 66.02 65.60 1yma s SER 3 CO 0.31 -0.80 1.56 -0.78 0.98 0.00 0.00 173.24 174.51 1yma h ASP 4 N 0.92 -1.52 -0.84 7.02 3.58 -2.00 0.17 116.42 123.74 1yma h ASP 4 Ca -0.40 0.16 0.08 0.00 0.42 0.00 0.00 57.03 57.30 1yma h ASP 4 Cb 1.27 0.57 -0.11 0.00 1.72 0.00 0.00 39.33 42.78 1yma h ASP 4 CO 0.56 -0.54 -0.48 0.61 -2.88 0.00 0.00 179.24 176.52 1yma n GLY 5 N -1.48 -2.13 0.24 -0.78 0.00 -1.26 0.20 105.19 99.97 1yma n GLY 5 Ca -0.08 1.00 0.11 0.00 0.00 0.00 0.00 46.02 47.05 1yma n GLY 5 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1yma h GLU 6 N 0.00 0.00 0.00 1.61 5.08 -1.86 -2.65 114.58 116.76 1yma h GLU 6 Ca 0.16 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1yma h GLU 6 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1yma h GLU 6 CO -0.80 0.18 -0.00 -1.49 -1.00 0.00 0.00 179.01 175.90 1yma h TRP 7 N 0.00 -0.00 -0.85 4.33 -0.00 0.52 -2.02 115.95 117.94 1yma h TRP 7 Ca -0.00 -0.00 0.20 0.00 -0.00 0.00 0.00 58.89 59.09 1yma h TRP 7 Cb 0.63 0.00 -0.12 0.00 -0.00 0.00 0.00 29.16 29.67 1yma h TRP 7 CO 0.00 0.55 0.30 1.96 -0.00 0.00 0.00 178.44 181.25 1yma h GLN 8 N -0.55 0.32 -0.28 0.49 4.20 0.40 0.39 115.11 120.08 1yma h GLN 8 Ca -0.00 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.71 1yma h GLN 8 Cb 0.55 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 1yma h GLN 8 CO 0.00 0.21 0.14 0.37 -0.67 0.00 0.00 178.83 178.88 1yma h GLN 9 N 0.33 0.29 -0.40 1.46 5.75 -1.39 0.53 115.11 121.67 1yma h GLN 9 Ca 0.51 -0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 58.93 1yma h GLN 9 Cb 0.96 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.42 1yma h GLN 9 CO -0.54 0.19 -0.03 0.28 -2.65 0.00 0.00 178.83 176.08 1yma h VAL 10 N 0.30 1.23 -0.00 2.39 2.07 0.39 -1.54 116.25 121.09 1yma h VAL 10 Ca 0.11 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 1yma h VAL 10 Cb 0.03 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1yma h VAL 10 CO -0.08 0.33 -0.02 -0.07 0.02 0.00 0.00 177.57 177.76 1yma h LEU 11 N 0.62 0.02 0.55 2.57 3.38 -0.22 -2.26 115.31 119.97 1yma h LEU 11 Ca 0.12 -0.73 -0.02 0.00 0.09 0.00 0.00 57.88 57.35 1yma h LEU 11 Cb 0.44 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1yma h LEU 11 CO 0.02 0.74 -0.40 -1.13 0.09 0.00 0.00 178.44 177.76 1yma h ASN 12 N -0.70 -1.03 -0.97 -0.43 -1.24 0.13 -0.36 115.58 110.98 1yma h ASN 12 Ca -0.00 0.07 0.20 0.00 0.71 0.00 0.00 56.30 57.28 1yma h ASN 12 Cb 0.74 0.32 -0.09 0.00 0.73 0.00 0.00 38.32 40.03 1yma h ASN 12 CO 0.00 -0.59 0.61 0.58 -1.29 0.00 0.00 177.43 176.75 1yma h VAL 13 N -0.92 0.69 -0.01 2.57 2.07 -1.40 0.39 116.25 119.64 1yma h VAL 13 Ca -0.06 -0.20 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 1yma h VAL 13 Cb 0.77 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1yma h VAL 13 CO 0.02 0.11 -0.35 -0.25 0.02 0.00 0.00 177.57 177.12 1yma h TRP 14 N 0.59 0.02 -0.00 1.57 2.91 -0.75 -2.59 115.95 117.70 1yma h TRP 14 Ca 0.53 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.55 1yma h TRP 14 Cb 1.05 -0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.70 1yma h TRP 14 CO -0.00 0.37 0.05 0.78 -1.03 0.00 0.00 178.44 178.60 1yma h GLY 15 N 1.07 0.00 1.58 2.65 0.00 0.15 0.27 103.07 108.79 1yma h GLY 15 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 1yma h GLY 15 CO 0.05 0.00 -1.29 0.50 0.00 0.00 0.00 176.54 175.80 1yma h LYS 16 N 0.00 0.00 -0.19 4.80 1.57 -1.46 -3.28 116.57 118.01 1yma h LYS 16 Ca 0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 1yma h LYS 16 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1yma h LYS 16 CO -0.00 0.78 -0.69 0.28 -0.57 0.00 0.00 179.45 179.25 1yma h VAL 17 N 0.00 1.29 -0.12 0.50 2.07 -0.58 -3.30 116.25 116.11 1yma h VAL 17 Ca -0.12 -1.91 0.01 0.00 0.82 0.00 0.00 66.70 65.49 1yma h VAL 17 Cb 1.86 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 33.51 1yma h VAL 17 CO 0.11 0.61 0.06 -0.33 0.02 0.00 0.00 177.57 178.03 1yma h GLU 18 N 0.54 0.13 -1.11 1.57 5.08 -1.41 -1.48 114.58 117.89 1yma h GLU 18 Ca -0.03 -0.01 0.32 0.00 -1.00 0.00 0.00 59.36 58.65 1yma h GLU 18 Cb 1.30 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.48 1yma h GLU 18 CO 0.14 0.08 0.92 0.00 -1.00 0.00 0.00 179.01 179.15 1yma h ALA 19 N 1.06 2.99 -0.31 3.43 0.00 -1.63 -3.23 119.26 121.58 1yma h ALA 19 Ca 0.05 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.70 1yma h ALA 19 Cb 0.01 0.08 -0.16 0.00 0.00 0.00 0.00 17.79 17.73 1yma h ALA 19 CO -0.04 -1.49 -0.52 -3.47 0.00 0.00 0.00 179.25 173.74 1yma n ASP 20 N -3.87 -2.90 -0.06 0.00 2.03 -0.97 -5.05 116.55 105.74 1yma n ASP 20 Ca 0.24 -3.20 -0.10 0.00 0.52 0.00 0.00 54.79 52.25 1yma n ASP 20 Cb 1.28 1.71 -0.03 0.00 -0.72 0.00 0.00 41.12 43.36 1yma n ASP 20 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 1yma h ILE 21 N 3.41 1.09 -0.02 5.18 3.07 -1.30 -1.88 117.51 127.06 1yma h ILE 21 Ca -0.09 -0.22 -0.08 0.00 1.55 0.00 0.00 64.86 66.01 1yma h ILE 21 Cb 1.04 0.84 -0.01 0.00 -0.27 0.00 0.00 36.82 38.42 1yma h ILE 21 CO 0.27 0.09 -0.38 0.00 -1.05 0.00 0.00 178.15 177.08 1yma h ALA 22 N 1.04 1.34 0.45 0.16 0.00 -1.87 -1.68 119.26 118.70 1yma h ALA 22 Ca 0.08 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1yma h ALA 22 Cb 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1yma h ALA 22 CO -0.01 0.49 -0.22 0.78 0.00 0.00 0.00 179.25 180.29 1yma h GLY 23 N 1.14 -0.63 0.53 0.00 0.00 -1.88 -1.15 103.07 101.07 1yma h GLY 23 Ca 0.00 0.23 0.04 0.00 0.00 0.00 0.00 47.33 47.60 1yma h GLY 23 CO 0.05 -0.23 -0.11 0.45 0.00 0.00 0.00 176.54 176.70 1yma h HIS 24 N -1.02 -0.28 -1.00 5.60 3.86 -1.34 -3.07 115.15 117.90 1yma h HIS 24 Ca -0.06 0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.23 1yma h HIS 24 Cb 0.57 0.15 -0.06 0.00 1.06 0.00 0.00 27.41 29.12 1yma h HIS 24 CO 0.02 -0.17 0.65 0.78 0.86 0.00 0.00 177.93 180.06 1yma h GLY 25 N -0.13 1.49 0.94 2.45 0.00 -1.37 0.10 103.07 106.56 1yma h GLY 25 Ca 0.09 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 1yma h GLY 25 CO -0.22 0.36 0.05 -1.61 0.00 0.00 0.00 176.54 175.12 1yma h GLN 26 N 1.19 0.12 -0.40 4.80 4.15 -1.11 -2.66 115.11 121.21 1yma h GLN 26 Ca 0.42 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.75 1yma h GLN 26 Cb 0.12 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 1yma h GLN 26 CO -0.16 0.15 -0.03 1.49 -1.93 0.00 0.00 178.83 178.35 1yma h GLU 27 N 0.06 0.73 -0.09 1.69 4.81 -1.49 -0.56 114.58 119.73 1yma h GLU 27 Ca 0.03 -0.25 0.04 0.00 -0.13 0.00 0.00 59.36 59.05 1yma h GLU 27 Cb 0.06 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.32 1yma h GLU 27 CO -0.01 0.84 -0.35 0.28 -0.73 0.00 0.00 179.01 179.04 1yma h VAL 28 N 0.55 0.25 -0.51 0.32 2.07 -0.88 0.37 116.25 118.42 1yma h VAL 28 Ca 0.11 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.54 1yma h VAL 28 Cb 0.53 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1yma h VAL 28 CO 0.03 0.00 -0.04 -0.07 0.02 0.00 0.00 177.57 177.51 1yma h LEU 29 N -0.45 0.87 -0.97 2.57 4.07 -1.44 -2.68 115.31 117.29 1yma h LEU 29 Ca 0.08 -0.24 -0.03 0.00 0.08 0.00 0.00 57.88 57.76 1yma h LEU 29 Cb 0.58 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 42.05 1yma h LEU 29 CO -0.34 0.96 0.35 0.40 -1.08 0.00 0.00 178.44 178.73 1yma h ILE 30 N 0.82 1.24 0.36 1.22 2.04 -0.61 -0.07 117.51 122.50 1yma h ILE 30 Ca 0.15 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 1yma h ILE 30 Cb 0.54 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1yma h ILE 30 CO 0.03 0.29 -0.17 0.08 0.00 0.00 0.00 178.15 178.38 1yma h ARG 31 N 1.08 -0.46 -0.18 2.37 -0.00 -0.79 -2.14 114.38 114.26 1yma h ARG 31 Ca 0.26 0.03 0.02 0.00 -0.00 0.00 0.00 59.98 60.29 1yma h ARG 31 Cb 0.13 0.10 -0.03 0.00 -0.00 0.00 0.00 29.97 30.18 1yma h ARG 31 CO -0.03 -0.17 -0.18 1.25 -0.00 0.00 0.00 179.97 180.84 1yma h LEU 32 N -0.73 -0.61 -1.60 0.08 5.85 -1.26 0.55 115.31 117.60 1yma h LEU 32 Ca -0.05 0.08 0.21 0.00 0.84 0.00 0.00 57.88 58.96 1yma h LEU 32 Cb 0.50 0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.73 1yma h LEU 32 CO 0.08 -0.11 0.59 -0.26 -0.34 0.00 0.00 178.44 178.40 1yma h PHE 33 N -0.09 0.44 0.06 1.25 0.04 -1.07 0.54 116.94 118.11 1yma h PHE 33 Ca 0.03 0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.70 1yma h PHE 33 Cb 0.17 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.19 1yma h PHE 33 CO -0.73 0.12 -0.52 1.79 -0.60 0.00 0.00 178.31 178.37 1yma h THR 34 N 0.33 1.56 0.00 -1.55 1.35 -0.56 -2.97 112.91 111.08 1yma h THR 34 Ca 0.45 -2.41 -0.02 0.00 -0.55 0.00 0.00 66.41 63.88 1yma h THR 34 Cb 1.22 3.17 -0.00 0.00 -1.73 0.00 0.00 68.15 70.81 1yma h THR 34 CO -0.15 0.63 -0.09 1.23 -0.25 0.00 0.00 175.52 176.90 1yma h GLY 35 N -0.68 0.00 -6.06 5.82 0.00 0.54 -3.36 103.07 99.33 1yma h GLY 35 Ca -0.11 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.68 1yma h GLY 35 CO 0.04 0.00 -1.03 1.42 0.00 0.00 0.00 176.54 176.97 1yma n HIS 36 N -3.20 -0.76 -0.59 5.60 8.25 0.18 -4.98 115.22 119.73 1yma n HIS 36 Ca 0.01 -3.35 0.48 0.00 -0.26 0.00 0.00 57.72 54.60 1yma n HIS 36 Cb 0.40 -0.02 0.80 0.00 1.12 0.00 0.00 29.99 32.28 1yma n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1yma h PRO 37 N 4.58 0.00 0.00 -0.41 0.11 -1.68 0.40 132.00 134.99 1yma h PRO 37 Ca 0.13 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.18 1yma h PRO 37 Cb 0.90 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 1yma h PRO 37 CO 0.41 0.00 -0.27 1.05 -0.21 0.00 0.00 178.00 178.98 1yma h GLU 38 N 0.00 0.00 -0.53 1.05 9.09 -1.93 -3.17 114.58 119.09 1yma h GLU 38 Ca 0.82 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 60.12 1yma h GLU 38 Cb 3.34 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 30.42 1yma h GLU 38 CO -0.01 0.27 -0.11 1.79 0.05 0.00 0.00 179.01 181.01 1yma h THR 39 N 0.00 1.27 0.00 -1.06 1.35 -0.54 -3.18 112.91 110.75 1yma h THR 39 Ca -0.00 -1.25 0.00 0.00 -0.55 0.00 0.00 66.41 64.61 1yma h THR 39 Cb 0.51 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1yma h THR 39 CO 0.04 0.44 0.03 0.25 -0.25 0.00 0.00 175.52 176.02 1yma h LEU 40 N 0.88 0.00 0.00 3.87 5.85 -1.70 -2.11 115.31 122.09 1yma h LEU 40 Ca 0.14 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1yma h LEU 40 Cb 0.66 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1yma h LEU 40 CO 0.05 0.00 -0.01 -0.33 -0.34 0.00 0.00 178.44 177.80 1yma h GLU 41 N 0.00 0.00 -0.01 1.25 3.07 -1.71 -3.13 114.58 114.05 1yma h GLU 41 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1yma h GLU 41 Cb 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 1yma h GLU 41 CO 0.00 0.00 -0.08 1.63 -1.40 0.00 0.00 179.01 179.16 1yma n LYS 42 N -2.45 0.91 -3.74 2.33 5.02 -0.79 -4.59 118.16 114.85 1yma n LYS 42 Ca 0.05 -0.33 -0.37 0.00 -2.02 0.00 0.00 58.31 55.64 1yma n LYS 42 Cb 0.45 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.86 1yma n LYS 42 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1yma s PHE 43 N -2.31 3.47 -0.75 2.13 0.08 -1.18 -4.90 117.98 114.51 1yma s PHE 43 Ca 0.33 -2.09 0.19 0.00 0.12 0.00 0.00 56.93 55.48 1yma s PHE 43 Cb 0.20 -3.00 0.79 0.00 -0.57 0.00 0.00 43.02 40.44 1yma s PHE 43 CO 0.44 -0.92 1.58 -0.25 -0.10 0.00 0.00 175.22 175.97 1yma n ASP 44 N 4.69 0.32 0.08 1.36 8.00 -1.26 -1.72 116.55 128.03 1yma n ASP 44 Ca -0.06 0.58 -0.17 0.00 0.71 0.00 0.00 54.79 55.85 1yma n ASP 44 Cb 0.42 -0.65 -0.10 0.00 -0.02 0.00 0.00 41.12 40.77 1yma n ASP 44 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1yma h LYS 45 N 0.00 0.46 0.00 -1.24 3.64 -1.91 -3.38 116.57 114.14 1yma h LYS 45 Ca 0.00 -0.59 -0.02 0.00 -1.27 0.00 0.00 60.65 58.77 1yma h LYS 45 Cb 0.30 0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.28 1yma h LYS 45 CO 0.00 1.23 -0.31 1.19 -2.27 0.00 0.00 179.45 179.30 1yma n PHE 46 N -3.71 0.00 0.25 1.91 3.72 -0.97 -4.77 117.46 113.89 1yma n PHE 46 Ca -0.10 -0.78 0.13 0.00 -0.05 0.00 0.00 57.45 56.66 1yma n PHE 46 Cb 0.93 -0.14 0.62 0.00 -0.94 0.00 0.00 39.48 39.96 1yma n PHE 46 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1yma h LYS 47 N 0.26 0.00 -0.00 -1.08 2.10 -1.43 -3.13 116.57 113.29 1yma h LYS 47 Ca -0.02 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.38 1yma h LYS 47 Cb 1.18 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.53 1yma h LYS 47 CO 0.01 0.12 -0.98 1.12 -2.00 0.00 0.00 179.45 177.72 1yma h HIS 48 N 0.00 0.99 -1.37 0.07 2.07 -1.87 -3.44 115.15 111.61 1yma h HIS 48 Ca -0.00 -0.54 -0.60 0.00 -2.85 0.00 0.00 60.37 56.38 1yma h HIS 48 Cb 0.55 -0.11 -0.01 0.00 2.57 0.00 0.00 27.41 30.41 1yma h HIS 48 CO 0.00 1.37 1.50 1.28 -3.07 0.00 0.00 177.93 179.02 1yma n LEU 49 N -3.91 2.37 -0.08 6.12 4.77 -1.18 -4.80 117.00 120.29 1yma n LEU 49 Ca -0.11 0.17 -0.10 0.00 -0.03 0.00 0.00 56.01 55.95 1yma n LEU 49 Cb 0.85 -1.38 -0.05 0.00 -2.33 0.00 0.00 43.42 40.52 1yma n LEU 49 CO 0.55 -0.87 -0.38 0.11 -1.33 0.00 0.00 177.39 175.47 1yma h LYS 50 N 14.41 0.00 -7.34 3.23 1.57 -1.89 -3.48 116.57 123.06 1yma h LYS 50 Ca -0.29 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 57.98 1yma h LYS 50 Cb 1.29 0.00 0.07 0.00 0.08 0.00 0.00 32.23 33.67 1yma h LYS 50 CO 1.05 0.31 0.40 0.95 -0.57 0.00 0.00 179.45 181.59 1yma s THR 51 N -2.26 4.43 0.17 -0.16 -4.23 -1.26 -4.97 115.64 107.36 1yma s THR 51 Ca -0.19 0.81 0.03 0.00 -1.18 0.00 0.00 61.69 61.16 1yma s THR 51 Cb 0.03 -3.68 -0.13 0.00 1.34 0.00 0.00 72.50 70.06 1yma s THR 51 CO 0.33 -1.01 1.40 -0.08 -0.54 0.00 0.00 174.62 174.72 1yma h GLU 52 N -0.40 0.20 -0.02 3.99 4.81 -1.98 -2.93 114.58 118.26 1yma h GLU 52 Ca -0.44 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 58.58 1yma h GLU 52 Cb 1.20 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 1yma h GLU 52 CO 0.60 0.92 0.00 0.00 -0.73 0.00 0.00 179.01 179.80 1yma h ALA 53 N 1.01 0.02 -0.00 2.92 0.00 -1.98 0.86 119.26 122.08 1yma h ALA 53 Ca -0.04 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1yma h ALA 53 Cb 1.44 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 1yma h ALA 53 CO 0.13 -0.32 0.05 1.49 0.00 0.00 0.00 179.25 180.59 1yma h GLU 54 N -0.27 0.00 0.16 0.00 4.81 -1.95 0.32 114.58 117.65 1yma h GLU 54 Ca 0.00 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.91 1yma h GLU 54 Cb 0.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1yma h GLU 54 CO 0.00 0.00 -1.57 0.52 -0.73 0.00 0.00 179.01 177.23 1yma h MET 55 N 0.00 0.33 -0.11 1.92 2.86 -1.16 -3.17 114.93 115.60 1yma h MET 55 Ca 0.00 -0.57 -0.20 0.00 -2.06 0.00 0.00 59.70 56.87 1yma h MET 55 Cb 0.09 0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1yma h MET 55 CO -0.00 1.22 -0.75 0.87 1.06 0.00 0.00 176.91 179.31 1yma h LYS 56 N 0.09 0.56 0.00 1.72 1.57 0.16 -3.13 116.57 117.53 1yma h LYS 56 Ca -0.27 -0.46 0.00 0.00 -1.87 0.00 0.00 60.65 58.06 1yma h LYS 56 Cb 2.06 0.10 0.00 0.00 0.08 0.00 0.00 32.23 34.46 1yma h LYS 56 CO 0.19 1.08 0.00 0.00 -0.57 0.00 0.00 179.45 180.15 1yma h ALA 57 N 0.79 1.00 -2.56 3.86 0.00 -0.60 -3.44 119.26 118.31 1yma h ALA 57 Ca -0.04 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.27 1yma h ALA 57 Cb 1.35 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 19.04 1yma h ALA 57 CO 0.14 0.00 0.12 0.45 0.00 0.00 0.00 179.25 179.96 1yma s SER 58 N -4.77 6.64 0.31 0.00 0.15 -1.19 -4.93 113.70 109.91 1yma s SER 58 Ca 0.04 0.78 0.24 0.00 0.70 0.00 0.00 55.95 57.71 1yma s SER 58 Cb 0.09 -2.34 0.37 0.00 -1.71 0.00 0.00 66.02 62.44 1yma s SER 58 CO 0.47 -0.30 1.50 -0.33 1.20 0.00 0.00 173.24 175.78 1yma h GLU 59 N 7.61 0.00 -0.30 5.44 4.39 -1.87 -3.25 114.58 126.61 1yma h GLU 59 Ca -0.30 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.37 1yma h GLU 59 Cb 1.14 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 1yma h GLU 59 CO 0.77 0.00 0.07 0.22 -1.16 0.00 0.00 179.01 178.91 1yma h ASP 60 N 0.00 0.46 0.30 1.42 1.82 -1.95 -1.83 116.42 116.64 1yma h ASP 60 Ca 0.00 -0.23 -0.05 0.00 -0.39 0.00 0.00 57.03 56.36 1yma h ASP 60 Cb 0.91 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.80 1yma h ASP 60 CO 0.00 0.57 -0.23 0.25 -1.61 0.00 0.00 179.24 178.22 1yma h LEU 61 N 0.32 0.00 0.03 2.28 5.85 -1.89 -2.07 115.31 119.83 1yma h LEU 61 Ca 0.09 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1yma h LEU 61 Cb 0.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1yma h LEU 61 CO 0.00 0.23 -0.01 0.50 -0.34 0.00 0.00 178.44 178.82 1yma h LYS 62 N 0.00 -0.03 -0.21 1.25 3.64 -1.50 -1.66 116.57 118.05 1yma h LYS 62 Ca -0.00 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1yma h LYS 62 Cb 0.44 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.20 1yma h LYS 62 CO 0.03 0.41 -0.25 -0.22 -2.27 0.00 0.00 179.45 177.15 1yma h LYS 63 N -0.50 -0.26 -0.53 1.90 3.64 -1.04 -0.93 116.57 118.85 1yma h LYS 63 Ca -0.00 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 1yma h LYS 63 Cb 0.46 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1yma h LYS 63 CO 0.01 -0.18 -0.06 -0.92 -2.27 0.00 0.00 179.45 176.03 1yma h TYR 64 N -0.27 1.05 -1.11 1.91 3.20 -1.45 -2.15 116.97 118.15 1yma h TYR 64 Ca 0.13 -0.19 0.31 0.00 3.14 0.00 0.00 58.73 62.12 1yma h TYR 64 Cb 0.47 -0.27 -0.07 0.00 1.54 0.00 0.00 36.73 38.40 1yma h TYR 64 CO -0.39 0.97 0.77 0.78 -1.64 0.00 0.00 178.16 178.65 1yma h GLY 65 N 0.98 0.53 0.44 1.82 0.00 -0.21 0.49 103.07 107.11 1yma h GLY 65 Ca 0.15 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 1yma h GLY 65 CO 0.04 -0.07 -0.14 -0.84 0.00 0.00 0.00 176.54 175.53 1yma h THR 66 N 0.16 1.52 -0.07 4.70 2.02 -0.60 -2.49 112.91 118.15 1yma h THR 66 Ca 0.58 -1.73 0.03 0.00 0.77 0.00 0.00 66.41 66.06 1yma h THR 66 Cb 1.94 2.60 -0.03 0.00 -1.74 0.00 0.00 68.15 70.92 1yma h THR 66 CO -0.14 0.47 -0.11 0.58 0.37 0.00 0.00 175.52 176.69 1yma h VAL 67 N -0.51 0.70 -0.03 3.16 2.07 0.16 -0.15 116.25 121.65 1yma h VAL 67 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1yma h VAL 67 Cb 0.84 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1yma h VAL 67 CO 0.03 0.00 -0.08 0.58 0.02 0.00 0.00 177.57 178.12 1yma h VAL 68 N -0.16 0.00 0.00 2.57 2.07 -0.72 -1.88 116.25 118.14 1yma h VAL 68 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1yma h VAL 68 Cb 0.25 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1yma h VAL 68 CO -0.16 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 177.36 1yma h LEU 69 N -0.07 0.00 0.16 2.57 3.38 -1.31 -2.40 115.31 117.63 1yma h LEU 69 Ca 0.01 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 1yma h LEU 69 Cb 0.09 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.85 1yma h LEU 69 CO -0.07 0.00 -1.57 0.74 0.09 0.00 0.00 178.44 177.64 1yma h THR 70 N 0.00 1.14 -0.25 0.22 2.02 -0.66 -1.91 112.91 113.48 1yma h THR 70 Ca 0.00 -2.72 -0.08 0.00 0.77 0.00 0.00 66.41 64.37 1yma h THR 70 Cb 0.27 2.81 -0.01 0.00 -1.74 0.00 0.00 68.15 69.49 1yma h THR 70 CO 0.00 0.83 -0.17 0.00 0.37 0.00 0.00 175.52 176.55 1yma h ALA 71 N 0.35 0.36 0.05 6.16 0.00 -1.21 0.31 119.26 125.27 1yma h ALA 71 Ca -0.27 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1yma h ALA 71 Cb 2.06 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 1yma h ALA 71 CO 0.19 0.27 -0.05 1.25 0.00 0.00 0.00 179.25 180.90 1yma h LEU 72 N 0.27 -0.13 -0.84 0.00 5.85 -1.55 -0.67 115.31 118.25 1yma h LEU 72 Ca 0.05 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.89 1yma h LEU 72 Cb 0.70 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.70 1yma h LEU 72 CO 0.05 -0.08 0.48 1.23 -0.34 0.00 0.00 178.44 179.77 1yma h GLY 73 N -0.11 1.31 0.63 3.75 0.00 -1.27 -0.37 103.07 107.01 1yma h GLY 73 Ca 0.00 -0.31 0.07 0.00 0.00 0.00 0.00 47.33 47.09 1yma h GLY 73 CO -0.02 0.11 0.42 -1.33 0.00 0.00 0.00 176.54 175.73 1yma h GLY 74 N 0.78 1.12 1.06 4.60 0.00 0.15 -2.88 103.07 107.90 1yma h GLY 74 Ca 0.41 -0.29 -0.16 0.00 0.00 0.00 0.00 47.33 47.29 1yma h GLY 74 CO -0.26 0.16 -0.43 -2.22 0.00 0.00 0.00 176.54 173.79 1yma h ILE 75 N 0.76 1.29 -0.12 2.60 2.04 0.35 -3.28 117.51 121.15 1yma h ILE 75 Ca 0.34 -1.62 -0.03 0.00 1.00 0.00 0.00 64.86 64.56 1yma h ILE 75 Cb 0.24 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 1yma h ILE 75 CO -0.20 0.52 -0.05 -0.07 0.00 0.00 0.00 178.15 178.35 1yma h LEU 76 N 0.57 0.16 -1.49 1.44 3.38 -1.14 -2.08 115.31 116.14 1yma h LEU 76 Ca 0.03 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1yma h LEU 76 Cb 1.03 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 1yma h LEU 76 CO 0.10 0.24 -0.10 0.11 0.09 0.00 0.00 178.44 178.88 1yma h LYS 77 N 0.17 0.00 0.00 1.13 1.57 -1.59 -2.72 116.57 115.13 1yma h LYS 77 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1yma h LYS 77 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1yma h LYS 77 CO 0.01 0.10 0.00 0.87 -0.57 0.00 0.00 179.45 179.86 1yma h LYS 78 N 0.00 0.00 -6.00 3.15 1.79 -1.47 -3.48 116.57 110.56 1yma h LYS 78 Ca -0.00 0.00 -0.42 0.00 -2.18 0.00 0.00 60.65 58.05 1yma h LYS 78 Cb 0.54 0.00 0.08 0.00 -1.58 0.00 0.00 32.23 31.27 1yma h LYS 78 CO 0.01 0.00 -0.73 1.63 -1.08 0.00 0.00 179.45 179.28 1yma n LYS 79 N -2.59 -6.77 0.00 3.15 5.02 -1.03 -2.13 118.16 113.82 1yma n LYS 79 Ca 0.03 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 57.06 1yma n LYS 79 Cb 0.38 -5.69 0.00 0.00 -0.02 0.00 0.00 35.03 29.69 1yma n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1yma n GLY 80 N -1.78 2.46 2.21 0.72 0.00 -1.26 -4.94 105.19 102.60 1yma n GLY 80 Ca -0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 1yma n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1yma n HIS 81 N -2.00 1.58 -1.32 1.61 8.25 -0.90 -4.63 115.22 117.81 1yma n HIS 81 Ca 0.00 -1.98 -0.18 0.00 -0.26 0.00 0.00 57.72 55.30 1yma n HIS 81 Cb 0.00 -1.20 0.18 0.00 1.12 0.00 0.00 29.99 30.09 1yma n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1yma n HIS 82 N 0.62 2.44 -0.34 4.41 1.44 -1.26 -4.66 115.22 117.87 1yma n HIS 82 Ca 0.41 -1.84 -0.03 0.00 -2.01 0.00 0.00 57.72 54.24 1yma n HIS 82 Cb 0.57 -0.82 0.09 0.00 0.12 0.00 0.00 29.99 29.96 1yma n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1yma h GLU 83 N 1.06 1.24 -0.38 -1.40 3.07 -1.99 -0.65 114.58 115.53 1yma h GLU 83 Ca 0.50 -0.12 -0.01 0.00 -0.50 0.00 0.00 59.36 59.24 1yma h GLU 83 Cb 2.37 -0.26 -0.02 0.00 -0.84 0.00 0.00 28.75 30.00 1yma h GLU 83 CO 0.90 0.87 0.22 0.00 -1.40 0.00 0.00 179.01 179.60 1yma h ALA 84 N 1.30 0.49 0.06 3.43 0.00 -2.00 -3.03 119.26 119.51 1yma h ALA 84 Ca 0.33 -0.07 -0.26 0.00 0.00 0.00 0.00 54.91 54.90 1yma h ALA 84 Cb -0.04 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.61 1yma h ALA 84 CO -0.06 0.00 -1.10 0.93 0.00 0.00 0.00 179.25 179.02 1yma h GLU 85 N 0.50 0.50 -0.10 0.00 3.07 -1.85 -3.39 114.58 113.31 1yma h GLU 85 Ca 0.14 -0.62 -0.03 0.00 -0.50 0.00 0.00 59.36 58.35 1yma h GLU 85 Cb 0.03 0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 28.14 1yma h GLU 85 CO -0.02 1.24 -0.04 1.25 -1.40 0.00 0.00 179.01 180.04 1yma h LEU 86 N 0.25 0.20 -0.23 1.33 5.85 -1.14 -3.38 115.31 118.19 1yma h LEU 86 Ca -0.13 -0.40 0.03 0.00 0.84 0.00 0.00 57.88 58.22 1yma h LEU 86 Cb 1.76 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.68 1yma h LEU 86 CO 0.20 0.56 -0.46 0.50 -0.34 0.00 0.00 178.44 178.90 1yma h LYS 87 N -0.15 -0.39 -0.97 1.25 3.64 -1.72 0.63 116.57 118.85 1yma h LYS 87 Ca 0.02 0.03 0.20 0.00 -1.27 0.00 0.00 60.65 59.62 1yma h LYS 87 Cb 0.48 0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 32.30 1yma h LYS 87 CO 0.01 -0.26 0.61 -1.00 -2.27 0.00 0.00 179.45 176.54 1yma h PRO 88 N -0.41 0.59 0.00 1.90 0.13 -1.79 0.59 132.00 133.02 1yma h PRO 88 Ca 0.04 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 65.02 1yma h PRO 88 Cb 0.53 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.51 1yma h PRO 88 CO -0.43 0.39 -0.56 1.25 -0.23 0.00 0.00 178.00 178.42 1yma h LEU 89 N 0.61 0.00 -0.01 1.56 5.85 -1.67 -1.33 115.31 120.32 1yma h LEU 89 Ca 0.53 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 59.21 1yma h LEU 89 Cb 1.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.05 1yma h LEU 89 CO -0.28 0.56 -0.17 0.00 -0.34 0.00 0.00 178.44 178.20 1yma h ALA 90 N 1.44 0.04 -0.08 1.25 0.00 0.25 0.17 119.26 122.33 1yma h ALA 90 Ca -0.01 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1yma h ALA 90 Cb 1.30 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1yma h ALA 90 CO 0.07 0.02 0.03 1.96 0.00 0.00 0.00 179.25 181.33 1yma h GLN 91 N -0.52 0.13 -0.23 0.00 4.20 -0.99 0.14 115.11 117.83 1yma h GLN 91 Ca -0.02 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1yma h GLN 91 Cb 0.89 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 1yma h GLN 91 CO 0.03 0.27 0.09 0.66 -0.67 0.00 0.00 178.83 179.22 1yma h SER 92 N -0.04 0.32 0.95 1.46 4.64 -1.34 0.30 113.55 119.84 1yma h SER 92 Ca 0.03 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1yma h SER 92 Cb 0.19 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1yma h SER 92 CO -0.00 0.39 -0.01 0.45 -0.87 0.00 0.00 176.83 176.80 1yma h HIS 93 N 0.23 0.00 0.00 4.77 3.86 -0.84 -1.62 115.15 121.55 1yma h HIS 93 Ca 0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1yma h HIS 93 Cb 0.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1yma h HIS 93 CO -0.01 0.01 0.00 0.00 0.86 0.00 0.00 177.93 178.79 1yma n ALA 94 N -2.10 0.00 0.09 2.45 0.00 0.47 -0.66 120.51 120.76 1yma n ALA 94 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 53.44 53.32 1yma n ALA 94 Cb 0.29 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.97 1yma n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yma h THR 95 N 0.00 1.30 0.00 0.00 1.03 -0.56 -3.04 112.91 111.64 1yma h THR 95 Ca 0.00 -1.47 0.00 0.00 -0.01 0.00 0.00 66.41 64.93 1yma h THR 95 Cb 0.00 1.65 0.00 0.00 -1.07 0.00 0.00 68.15 68.73 1yma h THR 95 CO 0.00 0.44 -0.55 1.17 -0.01 0.00 0.00 175.52 176.57 1yma n LYS 96 N -4.04 0.30 0.22 0.00 4.81 -1.06 -4.64 118.16 113.75 1yma n LYS 96 Ca -0.01 0.14 0.09 0.00 -0.87 0.00 0.00 58.31 57.65 1yma n LYS 96 Cb 0.47 -1.05 0.45 0.00 0.02 0.00 0.00 35.03 34.92 1yma n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1yma h HIS 97 N -0.57 0.00 -5.87 5.64 -0.00 -1.46 -3.48 115.15 109.41 1yma h HIS 97 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 60.37 60.19 1yma h HIS 97 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.96 1yma h HIS 97 CO -0.24 0.26 -0.46 1.63 -0.00 0.00 0.00 177.93 179.12 1yma n LYS 98 N -3.47 -1.51 -3.65 2.45 4.76 -0.95 -4.98 118.16 110.81 1yma n LYS 98 Ca -0.00 1.30 -0.39 0.00 -2.87 0.00 0.00 58.31 56.35 1yma n LYS 98 Cb 0.43 -4.44 -0.11 0.00 -1.84 0.00 0.00 35.03 29.06 1yma n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1yma s ILE 99 N -2.89 4.19 0.20 -0.18 -1.09 0.16 -5.02 121.20 116.56 1yma s ILE 99 Ca 0.04 -1.13 -0.32 0.00 -2.23 0.00 0.00 60.65 57.00 1yma s ILE 99 Cb -0.01 -3.43 -0.12 0.00 -1.58 0.00 0.00 42.46 37.33 1yma s ILE 99 CO 0.81 -0.31 1.74 -2.65 -1.23 0.00 0.00 174.94 173.30 1yma n PRO 100 N 4.91 2.78 0.25 2.79 -0.02 -1.26 -4.76 135.00 139.68 1yma n PRO 100 Ca -0.11 1.00 0.08 0.00 -2.02 0.00 0.00 63.50 62.45 1yma n PRO 100 Cb 0.44 -2.86 0.28 0.00 -0.02 0.00 0.00 33.50 31.34 1yma n PRO 100 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1yma h ILE 101 N 3.90 0.02 0.00 4.25 1.08 -1.96 1.59 117.51 126.39 1yma h ILE 101 Ca -0.43 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 63.99 1yma h ILE 101 Cb 1.20 0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 35.13 1yma h ILE 101 CO 0.96 0.00 -0.20 0.50 -0.69 0.00 0.00 178.15 178.71 1yma h LYS 102 N 0.00 0.00 0.00 2.37 1.63 -2.00 -3.03 116.57 115.55 1yma h LYS 102 Ca 0.07 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.83 1yma h LYS 102 Cb 1.78 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.40 1yma h LYS 102 CO -0.00 0.20 -0.23 1.88 -3.45 0.00 0.00 179.45 177.86 1yma h TYR 103 N 0.00 0.00 0.00 1.91 -1.99 0.20 -1.25 116.97 115.84 1yma h TYR 103 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1yma h TYR 103 Cb 1.16 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.89 1yma h TYR 103 CO 0.00 0.23 -0.29 1.28 -0.00 0.00 0.00 178.16 179.38 1yma n LEU 104 N -3.28 0.48 -0.02 3.88 4.77 -1.15 -2.71 117.00 118.97 1yma n LEU 104 Ca 0.01 0.32 -0.21 0.00 -0.03 0.00 0.00 56.01 56.10 1yma n LEU 104 Cb 0.50 -0.32 -0.13 0.00 -2.33 0.00 0.00 43.42 41.13 1yma n LEU 104 CO 0.34 -0.02 -0.83 1.21 -1.33 0.00 0.00 177.39 176.76 1yma n GLU 105 N -1.82 0.73 0.30 3.23 2.13 -0.91 -3.08 120.64 121.23 1yma n GLU 105 Ca 0.05 0.29 -0.18 0.00 0.66 0.00 0.00 57.16 57.98 1yma n GLU 105 Cb 0.38 -1.70 -0.10 0.00 0.27 0.00 0.00 31.44 30.30 1yma n GLU 105 CO 0.00 0.00 0.00 0.74 -0.41 0.00 0.00 177.13 177.46 1yma h PHE 106 N -0.06 -1.39 -0.71 4.31 0.04 -1.25 -1.97 116.94 115.90 1yma h PHE 106 Ca -0.43 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.33 1yma h PHE 106 Cb 1.95 0.54 -0.03 0.00 2.20 0.00 0.00 35.95 40.60 1yma h PHE 106 CO 0.07 -0.67 0.38 0.97 -0.60 0.00 0.00 178.31 178.46 1yma h ILE 107 N -1.01 1.22 -0.43 -0.55 2.10 -1.70 -1.08 117.51 116.05 1yma h ILE 107 Ca -0.07 -0.56 0.09 0.00 1.08 0.00 0.00 64.86 65.40 1yma h ILE 107 Cb 0.87 0.27 -0.02 0.00 -1.09 0.00 0.00 36.82 36.85 1yma h ILE 107 CO -0.06 0.25 0.30 0.28 -1.08 0.00 0.00 178.15 177.84 1yma h SER 108 N 1.00 0.16 1.01 2.19 0.02 -1.44 0.23 113.55 116.71 1yma h SER 108 Ca 0.25 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 61.02 1yma h SER 108 Cb 0.05 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 1yma h SER 108 CO -0.04 0.10 -1.04 0.44 -1.14 0.00 0.00 176.83 175.15 1yma h ASP 109 N 0.17 0.00 -0.08 3.07 3.32 -0.47 -3.28 116.42 119.14 1yma h ASP 109 Ca 0.20 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1yma h ASP 109 Cb 0.56 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 1yma h ASP 109 CO -0.03 0.79 0.03 0.00 -1.72 0.00 0.00 179.24 178.31 1yma h ALA 110 N 1.21 0.11 0.17 3.45 0.00 0.56 -2.70 119.26 122.06 1yma h ALA 110 Ca -0.08 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1yma h ALA 110 Cb 1.67 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1yma h ALA 110 CO 0.09 -0.30 -0.21 0.82 0.00 0.00 0.00 179.25 179.65 1yma h ILE 111 N -0.03 0.00 -1.02 0.00 2.04 -1.26 -1.28 117.51 115.95 1yma h ILE 111 Ca 0.03 0.00 0.32 0.00 1.00 0.00 0.00 64.86 66.21 1yma h ILE 111 Cb 0.18 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.12 1yma h ILE 111 CO -0.00 0.00 0.59 0.40 0.00 0.00 0.00 178.15 179.14 1yma h ILE 112 N -0.39 0.31 0.03 -0.67 2.04 -1.62 0.56 117.51 117.77 1yma h ILE 112 Ca -0.02 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1yma h ILE 112 Cb 0.35 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1yma h ILE 112 CO -0.05 0.06 -0.01 -0.74 0.00 0.00 0.00 178.15 177.41 1yma h HIS 113 N 0.33 -0.03 -0.64 1.37 2.76 -1.39 -3.21 115.15 114.33 1yma h HIS 113 Ca 0.73 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.96 1yma h HIS 113 Cb 1.70 0.01 -0.05 0.00 1.55 0.00 0.00 27.41 30.62 1yma h HIS 113 CO -0.01 0.53 0.34 0.28 -1.30 0.00 0.00 177.93 177.77 1yma h VAL 114 N -0.63 0.95 -0.44 5.26 2.07 0.25 -1.34 116.25 122.37 1yma h VAL 114 Ca -0.00 -0.22 0.09 0.00 0.82 0.00 0.00 66.70 67.39 1yma h VAL 114 Cb 0.58 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1yma h VAL 114 CO 0.01 0.12 0.30 -0.07 0.02 0.00 0.00 177.57 177.95 1yma h LEU 115 N 0.63 0.16 0.10 2.57 3.38 0.00 -1.54 115.31 120.62 1yma h LEU 115 Ca 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 1yma h LEU 115 Cb 0.20 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1yma h LEU 115 CO -0.19 0.10 -0.05 0.45 0.09 0.00 0.00 178.44 178.84 1yma h HIS 116 N 0.18 -0.13 -0.93 1.13 3.86 -1.27 -0.03 115.15 117.96 1yma h HIS 116 Ca 0.20 -0.00 0.21 0.00 -1.16 0.00 0.00 60.37 59.62 1yma h HIS 116 Cb 0.57 0.04 -0.07 0.00 1.06 0.00 0.00 27.41 29.01 1yma h HIS 116 CO -0.00 -0.08 0.61 1.03 0.86 0.00 0.00 177.93 180.35 1yma h SER 117 N -0.85 0.45 0.82 2.45 0.87 -1.39 0.12 113.55 116.03 1yma h SER 117 Ca -0.01 0.05 -0.24 0.00 -1.23 0.00 0.00 61.79 60.36 1yma h SER 117 Cb 0.11 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.00 1yma h SER 117 CO 0.02 0.17 -1.25 0.50 -0.53 0.00 0.00 176.83 175.75 1yma h LYS 118 N 0.45 0.00 -2.03 2.24 3.64 -1.40 -3.40 116.57 116.07 1yma h LYS 118 Ca 0.49 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 59.31 1yma h LYS 118 Cb 1.17 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.60 1yma h LYS 118 CO -0.21 0.82 -1.02 0.72 -2.27 0.00 0.00 179.45 177.49 1yma n HIS 119 N -3.24 0.37 -2.24 1.91 8.25 0.10 -5.07 115.22 115.29 1yma n HIS 119 Ca -0.06 -3.67 -0.38 0.00 -0.26 0.00 0.00 57.72 53.35 1yma n HIS 119 Cb 0.98 -0.39 -0.03 0.00 1.12 0.00 0.00 29.99 31.67 1yma n HIS 119 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 1yma s PRO 120 N -1.45 2.88 0.00 -0.41 0.02 0.19 -2.76 135.00 133.47 1yma s PRO 120 Ca 0.36 0.05 0.00 0.00 0.02 0.00 0.00 61.00 61.43 1yma s PRO 120 Cb 0.17 -4.53 0.00 0.00 0.02 0.00 0.00 34.50 30.16 1yma s PRO 120 CO -0.09 -2.61 0.00 0.41 -0.33 0.00 0.00 177.00 174.38 1yma n GLY 121 N 5.90 1.07 0.05 0.52 0.00 -1.26 -4.94 105.19 106.53 1yma n GLY 121 Ca 0.20 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.23 1yma n GLY 121 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1yma n ASP 122 N 0.00 2.10 -3.64 1.61 5.75 -1.11 -4.73 116.55 116.53 1yma n ASP 122 Ca 0.00 -2.13 -0.31 0.00 -0.01 0.00 0.00 54.79 52.34 1yma n ASP 122 Cb 0.00 -0.06 -0.07 0.00 -1.03 0.00 0.00 41.12 39.96 1yma n ASP 122 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1yma n PHE 123 N -0.55 3.42 -0.75 2.11 7.35 -1.21 -5.06 117.46 122.77 1yma n PHE 123 Ca 0.03 -3.89 -0.32 0.00 -0.76 0.00 0.00 57.45 52.50 1yma n PHE 123 Cb 0.31 -0.75 0.14 0.00 0.35 0.00 0.00 39.48 39.53 1yma n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1yma n GLY 124 N 1.18 -1.89 0.36 7.13 0.00 -1.26 -4.68 105.19 106.03 1yma n GLY 124 Ca 0.27 -0.76 0.01 0.00 0.00 0.00 0.00 46.02 45.54 1yma n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yma h ALA 125 N -1.71 1.30 0.00 4.61 0.00 -1.98 -0.36 119.26 121.12 1yma h ALA 125 Ca -0.45 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 1yma h ALA 125 Cb 1.29 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1yma h ALA 125 CO 0.36 0.44 -0.23 0.38 0.00 0.00 0.00 179.25 180.20 1yma h ASP 126 N 1.15 0.00 0.07 0.00 2.03 -1.98 -1.32 116.42 116.37 1yma h ASP 126 Ca 0.40 0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 56.42 1yma h ASP 126 Cb 0.09 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.62 1yma h ASP 126 CO -0.15 0.23 -1.13 0.00 -1.03 0.00 0.00 179.24 177.15 1yma h ALA 127 N 1.77 0.07 -0.23 4.15 0.00 -1.74 -0.85 119.26 122.43 1yma h ALA 127 Ca -0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 54.91 54.05 1yma h ALA 127 Cb 1.02 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1yma h ALA 127 CO 0.03 0.69 -0.40 0.37 0.00 0.00 0.00 179.25 179.95 1yma h GLN 128 N 0.34 0.53 0.62 0.00 4.15 -1.01 0.15 115.11 119.89 1yma h GLN 128 Ca -0.16 -0.26 -0.02 0.00 0.77 0.00 0.00 58.65 58.98 1yma h GLN 128 Cb 1.80 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.47 1yma h GLN 128 CO 0.22 0.84 -0.48 0.78 -1.93 0.00 0.00 178.83 178.25 1yma h GLY 129 N 1.07 -1.28 0.65 2.39 0.00 -1.09 -0.56 103.07 104.26 1yma h GLY 129 Ca 0.04 0.56 0.07 0.00 0.00 0.00 0.00 47.33 48.00 1yma h GLY 129 CO 0.08 -0.41 0.49 0.00 0.00 0.00 0.00 176.54 176.70 1yma h ALA 130 N -1.08 1.14 -0.41 3.60 0.00 -1.01 -2.64 119.26 118.87 1yma h ALA 130 Ca -0.08 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1yma h ALA 130 Cb 0.89 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1yma h ALA 130 CO 0.02 0.19 -0.15 1.98 0.00 0.00 0.00 179.25 181.29 1yma h MET 131 N 0.88 0.77 -0.30 0.00 -1.53 -0.44 -2.95 114.93 111.36 1yma h MET 131 Ca 0.37 -0.27 -0.18 0.00 -3.44 0.00 0.00 59.70 56.18 1yma h MET 131 Cb 0.24 -0.06 -0.00 0.00 -0.55 0.00 0.00 31.60 31.23 1yma h MET 131 CO -0.20 0.87 -0.52 1.15 0.14 0.00 0.00 176.91 178.36 1yma h THR 132 N 0.69 1.28 -0.54 -0.77 2.02 -0.80 -3.02 112.91 111.76 1yma h THR 132 Ca 0.11 -1.71 0.01 0.00 0.77 0.00 0.00 66.41 65.60 1yma h THR 132 Cb 0.64 1.60 -0.03 0.00 -1.74 0.00 0.00 68.15 68.61 1yma h THR 132 CO 0.04 0.56 0.35 0.50 0.37 0.00 0.00 175.52 177.34 1yma h LYS 133 N 0.66 0.68 0.04 6.66 3.64 -1.43 -0.74 116.57 126.08 1yma h LYS 133 Ca 0.02 -0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 59.14 1yma h LYS 133 Cb 1.12 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 1yma h LYS 133 CO 0.12 0.45 -1.03 0.00 -2.27 0.00 0.00 179.45 176.71 1yma h ALA 134 N 1.21 0.33 -0.15 5.00 0.00 -1.61 0.26 119.26 124.31 1yma h ALA 134 Ca 0.20 -0.84 -0.11 0.00 0.00 0.00 0.00 54.91 54.16 1yma h ALA 134 Cb -0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1yma h ALA 134 CO -0.06 1.07 -0.39 -0.07 0.00 0.00 0.00 179.25 179.79 1yma h LEU 135 N 0.05 0.35 0.50 0.00 3.38 -1.40 -1.08 115.31 117.10 1yma h LEU 135 Ca -0.06 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1yma h LEU 135 Cb 1.74 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.40 1yma h LEU 135 CO 0.15 0.71 -0.24 -0.33 0.09 0.00 0.00 178.44 178.83 1yma h GLU 136 N 0.28 -0.65 -0.01 1.13 5.08 -1.07 0.63 114.58 119.97 1yma h GLU 136 Ca 0.03 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1yma h GLU 136 Cb 0.82 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 1yma h GLU 136 CO 0.07 -0.43 0.44 1.25 -1.00 0.00 0.00 179.01 179.34 1yma h LEU 137 N -1.03 0.00 0.06 1.33 5.85 -0.41 0.66 115.31 121.78 1yma h LEU 137 Ca -0.07 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.33 1yma h LEU 137 Cb 0.51 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1yma h LEU 137 CO 0.11 0.00 -1.82 0.15 -0.34 0.00 0.00 178.44 176.54 1yma h PHE 138 N 0.00 0.25 -0.32 1.25 3.04 -1.00 -3.27 116.94 116.88 1yma h PHE 138 Ca 0.01 -0.18 -0.14 0.00 3.98 0.00 0.00 57.97 61.64 1yma h PHE 138 Cb 0.89 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 39.39 1yma h PHE 138 CO 0.00 1.38 -0.33 0.00 -2.02 0.00 0.00 178.31 177.34 1yma h ARG 139 N 0.04 0.79 -0.07 1.11 3.08 0.25 -2.98 114.38 116.61 1yma h ARG 139 Ca -0.34 -0.42 0.04 0.00 0.07 0.00 0.00 59.98 59.32 1yma h ARG 139 Cb 2.02 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 32.03 1yma h ARG 139 CO 0.09 1.05 -0.37 -0.97 -1.07 0.00 0.00 179.97 178.70 1yma h ASN 140 N 0.56 -1.13 -0.67 7.04 -1.24 -0.71 -1.94 115.58 117.50 1yma h ASN 140 Ca 0.05 0.15 -0.07 0.00 0.71 0.00 0.00 56.30 57.14 1yma h ASN 140 Cb 0.91 0.46 -0.03 0.00 0.73 0.00 0.00 38.32 40.40 1yma h ASN 140 CO 0.08 -0.41 0.15 0.44 -1.29 0.00 0.00 177.43 176.41 1yma h ASP 141 N -0.48 1.02 -0.43 1.15 3.32 -1.61 -1.30 116.42 118.09 1yma h ASP 141 Ca 0.07 -0.24 0.04 0.00 0.02 0.00 0.00 57.03 56.92 1yma h ASP 141 Cb 0.60 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 1yma h ASP 141 CO -0.34 0.99 0.21 0.40 -1.72 0.00 0.00 179.24 178.79 1yma h ILE 142 N 1.00 0.96 -1.01 0.35 2.04 -1.35 -1.19 117.51 118.31 1yma h ILE 142 Ca 0.21 -0.14 0.06 0.00 1.00 0.00 0.00 64.86 65.99 1yma h ILE 142 Cb 0.38 0.50 -0.07 0.00 -0.74 0.00 0.00 36.82 36.89 1yma h ILE 142 CO 0.00 0.08 0.65 0.00 0.00 0.00 0.00 178.15 178.88 1yma h ALA 143 N 1.23 1.40 -0.41 1.87 0.00 -1.03 0.88 119.26 123.19 1yma h ALA 143 Ca 0.19 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1yma h ALA 143 Cb 0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1yma h ALA 143 CO -0.14 0.46 0.18 0.00 0.00 0.00 0.00 179.25 179.75 1yma h ALA 144 N 1.45 0.54 -0.35 0.00 0.00 -0.68 -0.49 119.26 119.72 1yma h ALA 144 Ca 0.43 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.11 1yma h ALA 144 Cb 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1yma h ALA 144 CO -0.17 0.12 -0.22 0.87 0.00 0.00 0.00 179.25 179.85 1yma h LYS 145 N 0.53 0.68 0.00 0.00 6.56 -0.09 -2.91 116.57 121.34 1yma h LYS 145 Ca 0.14 -0.26 -0.04 0.00 -1.06 0.00 0.00 60.65 59.42 1yma h LYS 145 Cb 0.15 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 31.77 1yma h LYS 145 CO -0.01 0.84 -0.21 1.88 -2.06 0.00 0.00 179.45 179.89 1yma h TYR 146 N 0.60 0.00 -0.03 -1.35 -1.99 0.10 -2.87 116.97 111.43 1yma h TYR 146 Ca 0.09 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.63 1yma h TYR 146 Cb 0.69 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.41 1yma h TYR 146 CO 0.03 0.21 -0.79 -0.22 -0.00 0.00 0.00 178.16 177.40 1yma h LYS 147 N 0.00 0.27 0.54 4.88 3.64 -0.90 -0.91 116.57 124.08 1yma h LYS 147 Ca -0.00 -0.25 -0.03 0.00 -1.27 0.00 0.00 60.65 59.11 1yma h LYS 147 Cb 0.99 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1yma h LYS 147 CO 0.03 0.93 -0.28 0.93 -2.27 0.00 0.00 179.45 178.78 1yma h GLU 148 N 0.17 -0.72 0.00 1.90 5.08 -1.40 -1.69 114.58 117.92 1yma h GLU 148 Ca -0.04 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1yma h GLU 148 Cb 1.37 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.79 1yma h GLU 148 CO 0.12 -0.48 0.00 1.28 -1.00 0.00 0.00 179.01 178.93 1yma n LEU 149 N -4.09 0.00 -3.45 1.33 4.77 -1.15 -4.83 117.00 109.58 1yma n LEU 149 Ca -0.09 0.40 -0.23 0.00 -0.03 0.00 0.00 56.01 56.06 1yma n LEU 149 Cb 0.30 -0.40 0.08 0.00 -2.33 0.00 0.00 43.42 41.07 1yma n LEU 149 CO 0.22 -0.31 0.24 0.61 -1.33 0.00 0.00 177.39 176.81 1yma n GLY 150 N -0.78 -0.48 3.53 -0.72 0.00 -0.64 -4.97 105.19 101.13 1yma n GLY 150 Ca 0.02 0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1yma n GLY 150 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1yma s PHE 151 N -3.31 3.13 0.04 1.61 5.36 -0.40 -4.74 117.98 119.67 1yma s PHE 151 Ca 0.55 -0.00 0.00 0.00 -0.96 0.00 0.00 56.93 56.52 1yma s PHE 151 Cb -0.24 -3.12 0.00 0.00 -0.34 0.00 0.00 43.02 39.32 1yma s PHE 151 CO 0.70 -0.72 0.00 0.00 -1.46 0.00 0.00 175.22 173.74 1yma n GLN 152 N 5.97 -5.16 0.00 10.12 -0.00 -1.26 -4.71 117.38 122.33 1yma n GLN 152 Ca -0.04 3.72 0.00 0.00 -0.00 0.00 0.00 57.00 60.69 1yma n GLN 152 Cb 0.48 -4.61 0.00 0.00 -0.00 0.00 0.00 30.24 26.12 1yma n GLN 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47