#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g2s n PRO 7 N 0.00 0.21 0.01 3.44 -0.02 -1.26 -0.44 135.00 136.94 3g2s n PRO 7 Ca 0.00 0.31 0.12 0.00 -2.02 0.00 0.00 63.50 61.91 3g2s n PRO 7 Cb 0.00 -1.82 0.31 0.00 -0.02 0.00 0.00 33.50 31.97 3g2s n PRO 7 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3g2s n GLU 8 N -2.20 0.05 -0.96 -0.52 1.02 -1.26 -4.04 120.64 112.74 3g2s n GLU 8 Ca 0.04 0.02 -0.30 0.00 -0.02 0.00 0.00 57.16 56.89 3g2s n GLU 8 Cb 0.32 -1.54 0.15 0.00 -0.02 0.00 0.00 31.44 30.35 3g2s n GLU 8 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3g2s s THR 9 N -3.03 2.56 0.42 2.62 -4.23 0.42 -4.83 115.64 109.58 3g2s s THR 9 Ca 0.11 0.18 0.12 0.00 -1.18 0.00 0.00 61.69 60.92 3g2s s THR 9 Cb 0.17 -2.45 0.31 0.00 1.34 0.00 0.00 72.50 71.87 3g2s s THR 9 CO 0.67 -0.24 1.99 -0.07 -0.54 0.00 0.00 174.62 176.43 3g2s h LEU 10 N -1.67 0.42 0.09 4.79 3.38 -1.92 -0.33 115.31 120.06 3g2s h LEU 10 Ca -0.47 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 3g2s h LEU 10 Cb 1.27 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3g2s h LEU 10 CO 0.48 0.27 -0.04 -0.33 0.09 0.00 0.00 178.44 178.91 3g2s h GLU 11 N 0.48 -0.11 -0.56 1.13 3.07 -1.91 0.15 114.58 116.83 3g2s h GLU 11 Ca 0.26 0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 59.06 3g2s h GLU 11 Cb 0.39 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.30 3g2s h GLU 11 CO -0.07 0.26 0.10 0.00 -1.40 0.00 0.00 179.01 177.90 3g2s h ALA 12 N 0.35 1.14 -0.15 3.43 0.00 -1.67 -1.63 119.26 120.72 3g2s h ALA 12 Ca -0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3g2s h ALA 12 Cb 0.43 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3g2s h ALA 12 CO 0.02 0.57 0.06 0.00 0.00 0.00 0.00 179.25 179.90 3g2s h ARG 13 N 0.84 0.22 -0.08 0.00 3.08 -0.92 -2.00 114.38 115.52 3g2s h ARG 13 Ca 0.18 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.11 3g2s h ARG 13 Cb 0.35 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 3g2s h ARG 13 CO 0.00 0.31 -0.32 0.97 -1.07 0.00 0.00 179.97 179.87 3g2s h ILE 14 N 0.08 1.26 -0.50 2.04 6.09 -0.81 -0.83 117.51 124.84 3g2s h ILE 14 Ca 0.05 -1.23 -0.09 0.00 -1.37 0.00 0.00 64.86 62.22 3g2s h ILE 14 Cb 0.17 1.56 -0.02 0.00 0.47 0.00 0.00 36.82 39.00 3g2s h ILE 14 CO -0.00 0.36 -0.05 0.78 -3.07 0.00 0.00 178.15 176.17 3g2s h ASN 15 N 0.13 0.86 0.12 2.19 2.35 -1.06 -1.04 115.58 119.13 3g2s h ASN 15 Ca 0.02 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.52 3g2s h ASN 15 Cb 0.64 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.78 3g2s h ASN 15 CO 0.05 0.95 -0.06 -0.09 -1.65 0.00 0.00 177.43 176.63 3g2s h ARG 16 N 0.80 -0.16 -0.00 0.81 2.43 -1.02 -2.38 114.38 114.87 3g2s h ARG 16 Ca 0.14 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3g2s h ARG 16 Cb 0.55 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.13 3g2s h ARG 16 CO 0.03 0.26 0.00 0.00 -1.51 0.00 0.00 179.97 178.75 3g2s h ALA 17 N 0.16 1.14 0.00 2.80 0.00 -0.82 -3.02 119.26 119.52 3g2s h ALA 17 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3g2s h ALA 17 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3g2s h ALA 17 CO 0.03 -0.00 -0.02 0.25 0.00 0.00 0.00 179.25 179.51 3g2s n THR 18 N -3.28 1.00 -1.68 0.00 -2.24 -0.42 -4.71 114.28 102.94 3g2s n THR 18 Ca -0.03 -1.06 -0.45 0.00 -2.27 0.00 0.00 64.05 60.24 3g2s n THR 18 Cb 0.07 0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 68.70 3g2s n THR 18 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3g2s n ASN 19 N -0.58 3.74 0.00 3.42 2.85 -0.90 -4.42 115.26 119.37 3g2s n ASN 19 Ca 0.03 0.97 0.04 0.00 -0.11 0.00 0.00 54.58 55.51 3g2s n ASN 19 Cb 0.36 -1.46 0.20 0.00 1.24 0.00 0.00 39.78 40.13 3g2s n ASN 19 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3g2s n PRO 20 N 6.35 0.07 0.01 1.20 -0.04 -1.26 -1.46 135.00 139.87 3g2s n PRO 20 Ca 0.20 0.27 0.12 0.00 -0.04 0.00 0.00 63.50 64.05 3g2s n PRO 20 Cb 0.34 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.55 3g2s n PRO 20 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3g2s n LEU 21 N -1.38 0.51 -4.64 1.53 4.77 -1.26 -4.89 117.00 111.64 3g2s n LEU 21 Ca 0.03 0.08 -0.47 0.00 -0.03 0.00 0.00 56.01 55.62 3g2s n LEU 21 Cb 0.08 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 40.88 3g2s n LEU 21 CO 0.07 0.08 1.01 0.59 -1.33 0.00 0.00 177.39 177.81 3g2s n ASN 22 N -1.65 2.43 0.20 -1.43 3.02 -0.54 -4.87 115.26 112.43 3g2s n ASN 22 Ca 0.05 1.12 0.09 0.00 -0.03 0.00 0.00 54.58 55.80 3g2s n ASN 22 Cb 0.36 -1.34 0.19 0.00 -0.61 0.00 0.00 39.78 38.38 3g2s n ASN 22 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3g2s h LYS 23 N 4.79 0.00 -2.59 3.52 1.57 -1.91 -3.47 116.57 118.48 3g2s h LYS 23 Ca -0.45 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.46 3g2s h LYS 23 Cb 1.29 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.54 3g2s h LYS 23 CO 0.80 0.21 0.39 -1.83 -0.57 0.00 0.00 179.45 178.46 3g2s s GLU 24 N -3.21 1.44 0.21 3.15 -1.05 -1.26 -5.13 118.70 112.84 3g2s s GLU 24 Ca 0.05 -0.81 -0.32 0.00 -0.15 0.00 0.00 54.97 53.73 3g2s s GLU 24 Cb 0.07 0.48 -0.13 0.00 -0.44 0.00 0.00 34.13 34.11 3g2s s GLU 24 CO 0.68 -0.66 1.55 1.28 0.95 0.00 0.00 175.26 179.06 3g2s n LEU 25 N -0.48 3.36 -4.34 1.83 4.77 -1.26 -4.91 117.00 115.97 3g2s n LEU 25 Ca -0.05 1.10 -0.47 0.00 -0.03 0.00 0.00 56.01 56.57 3g2s n LEU 25 Cb 0.60 -1.47 -0.02 0.00 -2.33 0.00 0.00 43.42 40.21 3g2s n LEU 25 CO 0.15 -0.24 0.50 -0.62 -1.33 0.00 0.00 177.39 175.85 3g2s s ASP 26 N 0.71 6.84 0.21 -1.43 2.15 -1.26 -4.92 116.67 118.98 3g2s s ASP 26 Ca 0.73 -2.80 0.10 0.00 0.43 0.00 0.00 52.55 51.01 3g2s s ASP 26 Cb -0.63 -2.22 0.12 0.00 -0.30 0.00 0.00 42.92 39.90 3g2s s ASP 26 CO 0.42 -0.55 1.47 -0.50 -0.17 0.00 0.00 175.17 175.84 3g2s h TRP 27 N 7.66 0.00 -0.50 -5.34 4.06 -1.97 -1.00 115.95 118.86 3g2s h TRP 27 Ca 0.12 0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.13 3g2s h TRP 27 Cb 1.02 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.12 3g2s h TRP 27 CO 1.01 0.76 0.20 0.00 -3.56 0.00 0.00 178.44 176.85 3g2s h ALA 28 N 1.24 0.63 -0.08 1.49 0.00 -1.99 -1.01 119.26 119.54 3g2s h ALA 28 Ca -0.01 0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 3g2s h ALA 28 Cb 1.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3g2s h ALA 28 CO 0.10 -0.18 -0.79 0.77 0.00 0.00 0.00 179.25 179.15 3g2s h SER 29 N 0.40 0.59 0.39 0.00 0.02 -1.78 -1.77 113.55 111.40 3g2s h SER 29 Ca 0.24 -0.40 -0.02 0.00 -0.84 0.00 0.00 61.79 60.76 3g2s h SER 29 Cb 0.23 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.60 3g2s h SER 29 CO -0.22 1.17 -0.19 0.40 -1.14 0.00 0.00 176.83 176.85 3g2s h ILE 30 N 0.32 0.61 -0.17 3.27 2.04 -0.93 -1.40 117.51 121.24 3g2s h ILE 30 Ca -0.05 -0.34 -0.07 0.00 1.00 0.00 0.00 64.86 65.41 3g2s h ILE 30 Cb 1.38 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 3g2s h ILE 30 CO 0.14 0.06 -0.19 0.78 0.00 0.00 0.00 178.15 178.95 3g2s h ASN 31 N -0.72 0.28 -0.53 1.72 -0.26 -1.28 -2.69 115.58 112.11 3g2s h ASN 31 Ca -0.05 -0.07 -0.02 0.00 -0.56 0.00 0.00 56.30 55.60 3g2s h ASN 31 Cb 0.50 -0.08 -0.02 0.00 -1.06 0.00 0.00 38.32 37.66 3g2s h ASN 31 CO 0.09 0.49 0.27 1.23 -1.06 0.00 0.00 177.43 178.44 3g2s h GLY 32 N 0.88 0.80 0.36 2.83 0.00 -1.14 -1.35 103.07 105.45 3g2s h GLY 32 Ca 0.05 -0.39 0.04 0.00 0.00 0.00 0.00 47.33 47.04 3g2s h GLY 32 CO 0.03 0.37 -0.21 -2.75 0.00 0.00 0.00 176.54 173.98 3g2s h PHE 33 N 0.70 -0.56 -0.75 5.60 3.04 -0.95 -1.51 116.94 122.51 3g2s h PHE 33 Ca 0.18 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.13 3g2s h PHE 33 Cb 0.09 0.27 -0.04 0.00 2.56 0.00 0.00 35.95 38.84 3g2s h PHE 33 CO -0.01 -0.29 0.37 0.00 -2.02 0.00 0.00 178.31 176.36 3g2s h GLU 35 N 1.07 1.18 -0.01 0.00 5.08 -1.11 -3.17 114.58 117.62 3g2s h GLU 35 Ca 0.26 -0.24 -0.20 0.00 -1.00 0.00 0.00 59.36 58.18 3g2s h GLU 35 Cb 0.09 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3g2s h GLU 35 CO -0.04 0.98 -0.87 0.37 -1.00 0.00 0.00 179.01 178.46 3g2s h GLN 36 N 1.14 0.27 0.00 2.33 5.75 -0.96 -3.21 115.11 120.44 3g2s h GLN 36 Ca 0.25 -0.29 -0.05 0.00 -0.15 0.00 0.00 58.65 58.42 3g2s h GLN 36 Cb 0.27 0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 3g2s h GLN 36 CO -0.01 0.99 -0.23 1.37 -2.65 0.00 0.00 178.83 178.29 3g2s h LEU 37 N 0.16 0.00 -5.86 -2.39 8.10 -1.37 -0.94 115.31 113.00 3g2s h LEU 37 Ca -0.05 0.00 -0.64 0.00 0.11 0.00 0.00 57.88 57.30 3g2s h LEU 37 Cb 1.49 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 41.72 3g2s h LEU 37 CO 0.14 0.23 2.97 0.59 -4.11 0.00 0.00 178.44 178.26 3g2s n ASN 38 N -3.95 4.56 -2.77 0.17 5.03 -1.21 -4.06 115.26 113.03 3g2s n ASN 38 Ca -0.02 -2.67 -0.01 0.00 0.87 0.00 0.00 54.58 52.75 3g2s n ASN 38 Cb 0.31 -1.41 0.02 0.00 -1.02 0.00 0.00 39.78 37.67 3g2s n ASN 38 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 3g2s s GLU 39 N 3.53 0.35 0.00 3.52 2.02 -0.36 -4.95 118.70 122.81 3g2s s GLU 39 Ca 0.53 -0.24 0.00 0.00 0.02 0.00 0.00 54.97 55.28 3g2s s GLU 39 Cb 0.14 0.01 0.00 0.00 0.10 0.00 0.00 34.13 34.38 3g2s s GLU 39 CO -0.02 -0.46 0.00 -3.47 0.02 0.00 0.00 175.26 171.33 3g2s n ASP 40 N 3.25 0.00 -0.12 -0.19 -0.08 -1.26 -4.76 116.55 113.39 3g2s n ASP 40 Ca 0.10 0.00 0.09 0.00 -1.51 0.00 0.00 54.79 53.46 3g2s n ASP 40 Cb 0.63 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 44.01 3g2s n ASP 40 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3g2s n PHE 41 N -0.42 0.00 0.93 -0.67 3.72 -1.26 -4.43 117.46 115.34 3g2s n PHE 41 Ca 0.00 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.50 3g2s n PHE 41 Cb 0.00 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.55 3g2s n PHE 41 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3g2s n GLU 42 N -1.05 1.42 0.38 -1.08 4.71 -1.26 -4.50 120.64 119.26 3g2s n GLU 42 Ca 0.05 -1.07 -0.19 0.00 -0.01 0.00 0.00 57.16 55.93 3g2s n GLU 42 Cb 0.31 -1.43 -0.10 0.00 -1.01 0.00 0.00 31.44 29.21 3g2s n GLU 42 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 3g2s h GLY 43 N 4.52 -1.31 0.54 0.62 0.00 -1.77 -2.76 103.07 102.90 3g2s h GLY 43 Ca 0.00 0.57 0.05 0.00 0.00 0.00 0.00 47.33 47.95 3g2s h GLY 43 CO 0.00 -0.42 -0.03 -2.55 0.00 0.00 0.00 176.54 173.54 3g2s h PRO 44 N -1.13 0.04 -0.19 4.80 0.11 -1.79 0.02 132.00 133.86 3g2s h PRO 44 Ca -0.09 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.95 3g2s h PRO 44 Cb 0.93 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 3g2s h PRO 44 CO 0.03 0.03 -0.18 -1.35 -0.21 0.00 0.00 178.00 176.32 3g2s h PRO 45 N 0.04 0.32 -0.47 1.05 0.11 -1.84 -2.05 132.00 129.17 3g2s h PRO 45 Ca 0.12 -0.09 -0.08 0.00 0.11 0.00 0.00 66.00 66.07 3g2s h PRO 45 Cb 0.18 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 3g2s h PRO 45 CO -0.24 0.50 -0.00 1.25 -0.21 0.00 0.00 178.00 179.30 3g2s h LEU 46 N 0.30 0.81 -0.58 2.35 5.85 -1.17 -2.95 115.31 119.93 3g2s h LEU 46 Ca 0.05 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.51 3g2s h LEU 46 Cb 0.49 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 3g2s h LEU 46 CO 0.03 0.92 0.31 0.00 -0.34 0.00 0.00 178.44 179.37 3g2s h ALA 47 N 0.92 0.75 -0.56 1.25 0.00 -0.49 -1.44 119.26 119.69 3g2s h ALA 47 Ca 0.13 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3g2s h ALA 47 Cb 0.51 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3g2s h ALA 47 CO 0.02 -0.02 -0.03 1.79 0.00 0.00 0.00 179.25 181.01 3g2s h THR 48 N 0.59 1.26 -0.56 0.00 1.35 -1.39 -0.60 112.91 113.56 3g2s h THR 48 Ca 0.25 -1.16 -0.05 0.00 -0.55 0.00 0.00 66.41 64.90 3g2s h THR 48 Cb 0.14 0.87 -0.02 0.00 -1.73 0.00 0.00 68.15 67.40 3g2s h THR 48 CO -0.16 0.41 0.15 0.03 -0.25 0.00 0.00 175.52 175.70 3g2s h ARG 49 N 0.90 0.89 -0.26 4.72 3.08 -1.30 -0.45 114.38 121.96 3g2s h ARG 49 Ca 0.16 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 3g2s h ARG 49 Cb 0.57 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 3g2s h ARG 49 CO 0.03 0.82 0.05 -0.07 -1.07 0.00 0.00 179.97 179.73 3g2s h LEU 50 N 0.79 0.40 -0.45 3.04 3.38 -1.11 -3.01 115.31 118.36 3g2s h LEU 50 Ca 0.18 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3g2s h LEU 50 Cb 0.33 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3g2s h LEU 50 CO -0.00 0.55 0.28 -0.07 0.09 0.00 0.00 178.44 179.29 3g2s h LEU 51 N 0.24 0.46 -0.59 1.67 3.38 -0.99 -2.71 115.31 116.77 3g2s h LEU 51 Ca 0.08 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.11 3g2s h LEU 51 Cb 0.32 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 3g2s h LEU 51 CO 0.00 0.33 0.28 0.00 0.09 0.00 0.00 178.44 179.14 3g2s h ALA 52 N 1.18 0.77 -0.51 1.53 0.00 -1.02 -0.45 119.26 120.76 3g2s h ALA 52 Ca 0.17 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3g2s h ALA 52 Cb -0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3g2s h ALA 52 CO -0.06 -0.10 0.18 1.25 0.00 0.00 0.00 179.25 180.52 3g2s h HIS 53 N 0.51 0.80 -0.43 0.00 -0.00 -1.40 -2.55 115.15 112.07 3g2s h HIS 53 Ca 0.28 -0.07 -0.08 0.00 -0.00 0.00 0.00 60.37 60.49 3g2s h HIS 53 Cb 0.25 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 27.40 3g2s h HIS 53 CO -0.12 0.68 -0.07 0.87 -0.00 0.00 0.00 177.93 179.29 3g2s h LYS 54 N 0.69 0.74 0.00 5.26 1.79 -1.05 -2.68 116.57 121.32 3g2s h LYS 54 Ca 0.17 -0.22 -0.05 0.00 -2.18 0.00 0.00 60.65 58.36 3g2s h LYS 54 Cb 0.24 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 3g2s h LYS 54 CO -0.01 0.80 -0.25 0.82 -1.08 0.00 0.00 179.45 179.73 3g2s h ILE 55 N 0.68 0.98 -0.13 1.86 2.04 -0.99 -1.53 117.51 120.42 3g2s h ILE 55 Ca 0.12 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 65.07 3g2s h ILE 55 Cb 0.52 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 3g2s h ILE 55 CO 0.03 0.24 0.00 0.00 0.00 0.00 0.00 178.15 178.42 3g2s n GLN 56 N -3.96 1.31 -1.97 2.37 6.02 -0.97 -4.78 117.38 115.40 3g2s n GLN 56 Ca -0.02 -0.49 -0.40 0.00 -0.01 0.00 0.00 57.00 56.08 3g2s n GLN 56 Cb 0.33 -1.14 -0.01 0.00 1.02 0.00 0.00 30.24 30.44 3g2s n GLN 56 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3g2s s SER 57 N -1.08 6.45 0.51 1.08 0.15 -0.58 -4.88 113.70 115.34 3g2s s SER 57 Ca 0.12 2.82 0.34 0.00 0.70 0.00 0.00 55.95 59.93 3g2s s SER 57 Cb 0.06 -2.65 1.59 0.00 -1.71 0.00 0.00 66.02 63.30 3g2s s SER 57 CO 0.09 -0.78 2.01 -0.65 1.20 0.00 0.00 173.24 175.11 3g2s h PRO 58 N 3.00 0.00 -5.66 5.44 0.11 -1.92 -3.41 132.00 129.56 3g2s h PRO 58 Ca -0.50 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 64.98 3g2s h PRO 58 Cb 1.24 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.21 3g2s h PRO 58 CO 0.64 0.00 0.33 -0.65 -0.21 0.00 0.00 178.00 178.11 3g2s s GLN 59 N -3.73 3.34 0.19 1.05 -0.21 -1.26 -4.96 119.66 114.09 3g2s s GLN 59 Ca -0.00 -0.26 -0.12 0.00 0.02 0.00 0.00 55.36 55.00 3g2s s GLN 59 Cb 0.10 -3.98 0.21 0.00 1.00 0.00 0.00 33.01 30.34 3g2s s GLN 59 CO 0.44 -1.19 1.72 1.49 -2.12 0.00 0.00 175.29 175.63 3g2s h GLU 60 N 9.03 0.26 -0.56 2.91 4.81 -1.99 -1.93 114.58 127.11 3g2s h GLU 60 Ca -0.25 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.95 3g2s h GLU 60 Cb 1.09 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.38 3g2s h GLU 60 CO 0.98 0.17 0.32 2.35 -0.73 0.00 0.00 179.01 182.10 3g2s h TRP 61 N 0.27 0.74 -0.22 0.92 -0.00 -1.95 0.22 115.95 115.93 3g2s h TRP 61 Ca 0.26 -0.00 0.01 0.00 -0.00 0.00 0.00 58.89 59.16 3g2s h TRP 61 Cb 0.35 -0.24 -0.01 0.00 -0.00 0.00 0.00 29.16 29.25 3g2s h TRP 61 CO -0.22 0.51 0.13 1.49 -0.00 0.00 0.00 178.44 180.36 3g2s h GLU 62 N 0.77 0.26 -0.26 2.65 4.81 -1.57 -1.87 114.58 119.37 3g2s h GLU 62 Ca 0.20 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.37 3g2s h GLU 62 Cb 0.00 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3g2s h GLU 62 CO -0.03 0.17 -0.00 0.00 -0.73 0.00 0.00 179.01 178.42 3g2s h ALA 63 N 1.10 0.36 -0.44 2.92 0.00 -0.93 -1.49 119.26 120.78 3g2s h ALA 63 Ca 0.09 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.80 3g2s h ALA 63 Cb -0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3g2s h ALA 63 CO -0.04 0.09 0.23 0.82 0.00 0.00 0.00 179.25 180.36 3g2s h ILE 64 N 0.25 1.00 -0.58 0.00 1.08 -0.61 -0.86 117.51 117.78 3g2s h ILE 64 Ca 0.07 -0.16 0.03 0.00 -0.39 0.00 0.00 64.86 64.41 3g2s h ILE 64 Cb 0.42 0.49 -0.04 0.00 -3.07 0.00 0.00 36.82 34.62 3g2s h ILE 64 CO 0.01 0.09 0.35 1.56 -0.69 0.00 0.00 178.15 179.47 3g2s h GLN 65 N 0.47 0.68 -0.88 2.37 4.20 -1.26 -1.79 115.11 118.90 3g2s h GLN 65 Ca 0.18 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 3g2s h GLN 65 Cb 0.06 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.65 3g2s h GLN 65 CO -0.11 0.45 0.46 0.00 -0.67 0.00 0.00 178.83 178.96 3g2s h ALA 66 N 1.25 1.15 -0.02 3.87 0.00 -0.98 -0.64 119.26 123.89 3g2s h ALA 66 Ca 0.23 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3g2s h ALA 66 Cb 0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3g2s h ALA 66 CO -0.10 0.66 -0.24 -0.07 0.00 0.00 0.00 179.25 179.50 3g2s h LEU 67 N 1.24 0.03 -0.48 0.00 3.38 -0.88 -0.62 115.31 117.99 3g2s h LEU 67 Ca 0.31 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 58.13 3g2s h LEU 67 Cb 0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3g2s h LEU 67 CO -0.05 0.28 -0.27 0.74 0.09 0.00 0.00 178.44 179.23 3g2s h THR 68 N 0.03 1.27 -0.44 0.22 2.02 -0.54 0.07 112.91 115.54 3g2s h THR 68 Ca 0.00 -1.44 -0.01 0.00 0.77 0.00 0.00 66.41 65.73 3g2s h THR 68 Cb 0.45 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 3g2s h THR 68 CO 0.03 0.49 0.22 0.58 0.37 0.00 0.00 175.52 177.22 3g2s h VAL 69 N 0.82 1.17 0.12 3.16 2.07 -0.80 -1.43 116.25 121.36 3g2s h VAL 69 Ca 0.09 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.14 3g2s h VAL 69 Cb 0.85 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3g2s h VAL 69 CO 0.08 0.19 -0.11 0.25 0.02 0.00 0.00 177.57 177.99 3g2s h LEU 70 N 0.58 -0.30 -0.61 2.57 5.85 -0.90 -0.37 115.31 122.13 3g2s h LEU 70 Ca 0.15 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.99 3g2s h LEU 70 Cb 0.09 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.16 3g2s h LEU 70 CO -0.02 -0.17 0.26 -0.08 -0.34 0.00 0.00 178.44 178.09 3g2s h GLU 71 N -0.25 0.46 -0.22 1.25 4.81 -0.88 -1.51 114.58 118.23 3g2s h GLU 71 Ca 0.00 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 3g2s h GLU 71 Cb 0.24 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3g2s h GLU 71 CO -0.03 0.30 0.00 1.15 -0.73 0.00 0.00 179.01 179.70 3g2s h THR 72 N 0.47 1.25 -0.18 0.32 2.02 -0.77 -2.68 112.91 113.34 3g2s h THR 72 Ca 0.30 -0.88 -0.06 0.00 0.77 0.00 0.00 66.41 66.54 3g2s h THR 72 Cb 0.32 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 3g2s h THR 72 CO -0.27 0.27 -0.17 0.00 0.37 0.00 0.00 175.52 175.73 3g2s h MET 74 N 0.29 0.34 -0.01 0.00 2.07 -1.18 0.67 114.93 117.11 3g2s h MET 74 Ca 0.05 -0.07 -0.21 0.00 -2.07 0.00 0.00 59.70 57.40 3g2s h MET 74 Cb 0.47 -0.05 -0.00 0.00 -1.87 0.00 0.00 31.60 30.15 3g2s h MET 74 CO 0.03 0.41 -0.89 0.87 1.07 0.00 0.00 176.91 178.41 3g2s h LYS 75 N 0.33 0.36 0.00 1.72 1.57 -0.87 -3.38 116.57 116.31 3g2s h LYS 75 Ca 0.07 -0.37 -0.27 0.00 -1.87 0.00 0.00 60.65 58.21 3g2s h LYS 75 Cb 0.30 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.66 3g2s h LYS 75 CO 0.01 1.05 -2.23 0.43 -0.57 0.00 0.00 179.45 178.14 3g2s n SER 76 N -3.74 0.07 0.00 0.86 7.64 -0.21 -4.64 113.62 113.59 3g2s n SER 76 Ca -0.06 0.03 0.10 0.00 1.01 0.00 0.00 58.87 59.96 3g2s n SER 76 Cb 0.80 1.17 -0.05 0.00 -1.01 0.00 0.00 64.21 65.12 3g2s n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3g2s n GLY 78 N 1.48 -0.76 0.20 0.00 0.00 -1.26 -4.30 105.19 100.56 3g2s n GLY 78 Ca 0.04 -1.15 -0.09 0.00 0.00 0.00 0.00 46.02 44.83 3g2s n GLY 78 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3g2s h LYS 79 N 0.00 0.64 -0.96 1.61 3.64 -1.97 -2.02 116.57 117.52 3g2s h LYS 79 Ca 0.00 -0.11 0.12 0.00 -1.27 0.00 0.00 60.65 59.40 3g2s h LYS 79 Cb 0.00 -0.11 -0.09 0.00 -0.41 0.00 0.00 32.23 31.63 3g2s h LYS 79 CO 0.00 0.57 0.58 0.00 -2.27 0.00 0.00 179.45 178.34 3g2s h ARG 80 N 0.56 0.88 -0.07 1.90 3.08 -2.01 0.69 114.38 119.41 3g2s h ARG 80 Ca 0.15 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 59.97 3g2s h ARG 80 Cb 0.16 -0.20 0.01 0.00 0.08 0.00 0.00 29.97 30.02 3g2s h ARG 80 CO -0.01 0.58 -0.63 0.35 -1.07 0.00 0.00 179.97 179.19 3g2s h PHE 81 N 0.91 0.77 -0.82 3.04 3.57 -1.66 -3.18 116.94 119.56 3g2s h PHE 81 Ca 0.48 -0.37 0.14 0.00 3.53 0.00 0.00 57.97 61.76 3g2s h PHE 81 Cb 0.52 -0.11 -0.09 0.00 2.79 0.00 0.00 35.95 39.06 3g2s h PHE 81 CO -0.02 1.17 0.41 0.45 -2.23 0.00 0.00 178.31 178.09 3g2s h HIS 82 N 0.15 0.72 -0.07 0.41 3.86 -0.76 -1.45 115.15 118.01 3g2s h HIS 82 Ca -0.06 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.11 3g2s h HIS 82 Cb 1.29 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 29.55 3g2s h HIS 82 CO 0.12 0.17 -0.32 -0.44 0.86 0.00 0.00 177.93 178.32 3g2s h ASP 83 N 0.60 0.13 0.41 2.45 3.45 -0.89 0.15 116.42 122.72 3g2s h ASP 83 Ca 0.44 -0.04 -0.31 0.00 0.43 0.00 0.00 57.03 57.55 3g2s h ASP 83 Cb 0.61 -0.04 0.02 0.00 -0.56 0.00 0.00 39.33 39.37 3g2s h ASP 83 CO -0.36 0.46 -1.44 -0.33 -1.57 0.00 0.00 179.24 176.00 3g2s h GLU 84 N 0.12 0.39 -0.70 3.56 4.39 -1.37 -3.14 114.58 117.83 3g2s h GLU 84 Ca 0.02 -0.66 -0.00 0.00 0.34 0.00 0.00 59.36 59.05 3g2s h GLU 84 Cb 0.63 0.25 -0.03 0.00 -0.10 0.00 0.00 28.75 29.50 3g2s h GLU 84 CO 0.05 1.30 0.42 0.28 -1.16 0.00 0.00 179.01 179.90 3g2s h VAL 85 N 0.11 1.19 -0.26 3.13 2.07 -1.11 -3.11 116.25 118.27 3g2s h VAL 85 Ca -0.22 -0.42 -0.15 0.00 0.82 0.00 0.00 66.70 66.73 3g2s h VAL 85 Cb 2.07 0.20 -0.08 0.00 -1.52 0.00 0.00 31.29 31.97 3g2s h VAL 85 CO 0.22 0.20 0.20 0.61 0.02 0.00 0.00 177.57 178.82 3g2s n GLY 86 N -1.33 3.00 3.39 2.17 0.00 0.02 -4.24 105.19 108.20 3g2s n GLY 86 Ca 0.07 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 3g2s n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g2s s LYS 87 N -0.92 1.55 0.49 1.61 1.02 -1.18 -4.55 119.74 117.77 3g2s s LYS 87 Ca 0.16 -1.26 0.20 0.00 0.02 0.00 0.00 55.97 55.08 3g2s s LYS 87 Cb 0.13 -1.94 1.23 0.00 -0.52 0.00 0.00 37.83 36.72 3g2s s LYS 87 CO 0.01 0.47 2.05 0.74 -0.92 0.00 0.00 175.35 177.70 3g2s h PHE 88 N 4.14 0.00 -1.04 3.18 0.04 -1.90 0.70 116.94 122.06 3g2s h PHE 88 Ca -0.50 0.00 0.27 0.00 2.80 0.00 0.00 57.97 60.54 3g2s h PHE 88 Cb 1.16 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 39.20 3g2s h PHE 88 CO 0.57 0.14 0.64 -0.09 -0.60 0.00 0.00 178.31 178.96 3g2s h ARG 89 N 0.00 0.45 0.00 1.51 2.43 -1.95 0.17 114.38 116.99 3g2s h ARG 89 Ca -0.00 -0.03 -0.23 0.00 -0.81 0.00 0.00 59.98 58.91 3g2s h ARG 89 Cb 0.29 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 3g2s h ARG 89 CO 0.02 0.30 -1.29 0.34 -1.51 0.00 0.00 179.97 177.83 3g2s n PHE 90 N -4.78 0.96 -0.06 2.20 7.35 -0.38 -4.43 117.46 118.31 3g2s n PHE 90 Ca 0.27 0.42 0.07 0.00 -0.76 0.00 0.00 57.45 57.45 3g2s n PHE 90 Cb 0.85 -1.08 0.44 0.00 0.35 0.00 0.00 39.48 40.04 3g2s n PHE 90 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3g2s h LEU 91 N -1.00 0.47 -1.92 -2.13 3.38 -0.63 -0.18 115.31 113.30 3g2s h LEU 91 Ca -0.35 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.64 3g2s h LEU 91 Cb 1.28 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 3g2s h LEU 91 CO -0.21 0.32 0.09 0.78 0.09 0.00 0.00 178.44 179.50 3g2s h ASN 92 N 0.54 0.09 0.10 -0.43 2.35 -0.89 -0.60 115.58 116.74 3g2s h ASN 92 Ca 0.23 -0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.84 3g2s h ASN 92 Cb 0.21 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 3g2s h ASN 92 CO -0.06 0.06 -0.48 -0.33 -1.65 0.00 0.00 177.43 174.97 3g2s h GLU 93 N 0.10 0.44 -0.28 0.81 4.39 -1.23 -1.69 114.58 117.13 3g2s h GLU 93 Ca 0.05 -0.25 -0.17 0.00 0.34 0.00 0.00 59.36 59.33 3g2s h GLU 93 Cb 0.09 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 3g2s h GLU 93 CO -0.01 0.83 -0.50 -0.07 -1.16 0.00 0.00 179.01 178.10 3g2s h LEU 94 N 0.36 0.86 -1.12 1.33 3.38 -1.30 -3.10 115.31 115.70 3g2s h LEU 94 Ca 0.02 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.53 3g2s h LEU 94 Cb 0.98 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 3g2s h LEU 94 CO 0.09 1.21 0.35 0.40 0.09 0.00 0.00 178.44 180.58 3g2s h ILE 95 N 0.61 1.21 0.00 1.22 2.04 -0.86 -1.91 117.51 119.83 3g2s h ILE 95 Ca 0.03 -0.57 -0.06 0.00 1.00 0.00 0.00 64.86 65.25 3g2s h ILE 95 Cb 1.08 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3g2s h ILE 95 CO 0.11 0.25 -0.30 0.11 0.00 0.00 0.00 178.15 178.31 3g2s h LYS 96 N 0.97 0.00 -0.18 2.37 1.57 -1.31 -1.12 116.57 118.87 3g2s h LYS 96 Ca 0.24 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.84 3g2s h LYS 96 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 3g2s h LYS 96 CO -0.04 0.30 -0.62 0.28 -0.57 0.00 0.00 179.45 178.81 3g2s h VAL 97 N 0.00 1.32 0.00 0.50 2.07 -1.28 0.23 116.25 119.09 3g2s h VAL 97 Ca -0.00 -1.88 0.00 0.00 0.82 0.00 0.00 66.70 65.64 3g2s h VAL 97 Cb 0.56 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 3g2s h VAL 97 CO 0.04 0.59 -0.91 1.33 0.02 0.00 0.00 177.57 178.63 3g2s n VAL 98 N -3.94 0.02 -3.09 2.57 0.24 -0.98 -2.79 118.33 110.35 3g2s n VAL 98 Ca -0.04 -0.04 -0.39 0.00 -2.04 0.00 0.00 64.34 61.82 3g2s n VAL 98 Cb 0.65 0.70 -0.06 0.00 -1.47 0.00 0.00 33.84 33.66 3g2s n VAL 98 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3g2s s SER 99 N -3.15 7.17 0.61 -1.34 0.15 -0.46 -4.59 113.70 112.09 3g2s s SER 99 Ca 0.08 1.39 0.39 0.00 0.70 0.00 0.00 55.95 58.51 3g2s s SER 99 Cb 0.16 -2.43 1.87 0.00 -1.71 0.00 0.00 66.02 63.91 3g2s s SER 99 CO 0.82 0.13 2.17 -0.65 1.20 0.00 0.00 173.24 176.91 3g2s h PRO 100 N 5.13 0.00 0.00 5.44 0.11 -1.90 0.11 132.00 140.90 3g2s h PRO 100 Ca -0.46 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 3g2s h PRO 100 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3g2s h PRO 100 CO 0.68 0.00 -0.09 0.87 -0.21 0.00 0.00 178.00 179.25 3g2s h LYS 101 N 0.00 0.00 0.00 1.05 1.57 -1.93 -3.42 116.57 113.84 3g2s h LYS 101 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3g2s h LYS 101 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3g2s h LYS 101 CO 0.00 0.09 0.00 0.66 -0.57 0.00 0.00 179.45 179.63 3g2s n TYR 102 N -3.21 0.00 0.75 -1.35 4.02 -0.63 -5.00 117.16 111.75 3g2s n TYR 102 Ca 0.01 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.99 3g2s n TYR 102 Cb 0.38 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.58 3g2s n TYR 102 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3g2s n LEU 103 N 0.00 0.76 -0.35 7.72 4.77 0.07 -4.65 117.00 125.32 3g2s n LEU 103 Ca 0.00 -0.41 0.17 0.00 -0.03 0.00 0.00 56.01 55.74 3g2s n LEU 103 Cb 0.00 0.00 0.38 0.00 -2.33 0.00 0.00 43.42 41.47 3g2s n LEU 103 CO 0.00 0.19 1.17 1.23 -1.33 0.00 0.00 177.39 178.65 3g2s h GLY 104 N 4.44 1.87 2.00 -0.72 0.00 -0.84 -1.85 103.07 107.98 3g2s h GLY 104 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3g2s h GLY 104 CO 0.00 -0.21 0.00 1.48 0.00 0.00 0.00 176.54 177.81 3g2s h SER 105 N 0.61 0.00 -0.02 0.19 4.64 -1.81 -2.91 113.55 114.25 3g2s h SER 105 Ca 0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.95 3g2s h SER 105 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3g2s h SER 105 CO -0.45 0.00 -0.09 -2.11 -0.87 0.00 0.00 176.83 173.31 3g2s n ARG 106 N -2.38 1.51 -3.55 4.77 1.85 -0.73 -4.98 116.66 113.15 3g2s n ARG 106 Ca 0.04 -1.37 -0.35 0.00 -1.00 0.00 0.00 57.85 55.17 3g2s n ARG 106 Cb 0.39 -1.33 -0.06 0.00 -1.05 0.00 0.00 32.46 30.41 3g2s n ARG 106 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3g2s s THR 107 N -1.61 5.07 0.53 8.89 2.01 -1.01 -5.05 115.64 124.47 3g2s s THR 107 Ca 0.19 0.54 -0.20 0.00 0.31 0.00 0.00 61.69 62.53 3g2s s THR 107 Cb 0.14 -3.66 -0.06 0.00 0.01 0.00 0.00 72.50 68.94 3g2s s THR 107 CO 0.27 0.34 1.15 -0.94 -0.69 0.00 0.00 174.62 174.75 3g2s s SER 108 N -1.63 5.76 0.39 3.53 1.04 -1.26 -4.87 113.70 116.65 3g2s s SER 108 Ca 0.32 2.23 0.10 0.00 0.48 0.00 0.00 55.95 59.08 3g2s s SER 108 Cb -0.14 -2.59 0.87 0.00 0.10 0.00 0.00 66.02 64.26 3g2s s SER 108 CO 0.17 -1.19 1.95 -0.33 0.98 0.00 0.00 173.24 174.81 3g2s h GLU 109 N 1.35 0.59 -0.26 4.02 4.39 -1.97 -2.46 114.58 120.24 3g2s h GLU 109 Ca -0.50 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.17 3g2s h GLU 109 Cb 1.26 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 3g2s h GLU 109 CO 0.57 0.39 0.17 -0.22 -1.16 0.00 0.00 179.01 178.76 3g2s h LYS 110 N 0.61 0.35 -0.21 2.33 3.64 -1.99 0.36 116.57 121.66 3g2s h LYS 110 Ca 0.33 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.68 3g2s h LYS 110 Cb 0.48 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3g2s h LYS 110 CO -0.11 0.24 0.10 0.28 -2.27 0.00 0.00 179.45 177.69 3g2s h VAL 111 N 0.35 1.14 -0.40 2.00 2.07 -1.87 -1.78 116.25 117.75 3g2s h VAL 111 Ca 0.10 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 3g2s h VAL 111 Cb -0.03 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3g2s h VAL 111 CO -0.02 0.13 0.04 0.11 0.02 0.00 0.00 177.57 177.86 3g2s h LYS 112 N 0.21 0.68 -0.49 1.57 1.57 -1.16 -1.97 116.57 116.98 3g2s h LYS 112 Ca 0.07 -0.19 0.03 0.00 -1.87 0.00 0.00 60.65 58.68 3g2s h LYS 112 Cb 0.12 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 3g2s h LYS 112 CO -0.01 0.74 0.28 -0.91 -0.57 0.00 0.00 179.45 178.98 3g2s h ASN 113 N 0.52 0.44 -0.39 0.86 -0.26 -0.30 -1.44 115.58 115.02 3g2s h ASN 113 Ca 0.12 0.01 0.03 0.00 -0.56 0.00 0.00 56.30 55.90 3g2s h ASN 113 Cb 0.41 -0.08 -0.03 0.00 -1.06 0.00 0.00 38.32 37.55 3g2s h ASN 113 CO 0.01 0.31 0.19 0.50 -1.06 0.00 0.00 177.43 177.38 3g2s h LYS 114 N 0.56 0.37 -0.52 0.81 1.63 -1.17 -1.07 116.57 117.18 3g2s h LYS 114 Ca 0.20 -0.02 0.04 0.00 -0.85 0.00 0.00 60.65 60.02 3g2s h LYS 114 Cb 0.04 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.55 3g2s h LYS 114 CO -0.10 0.24 0.28 0.82 -3.45 0.00 0.00 179.45 177.24 3g2s h ILE 115 N 0.38 0.98 -0.47 2.00 2.04 -0.81 -0.96 117.51 120.68 3g2s h ILE 115 Ca 0.17 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 3g2s h ILE 115 Cb 0.08 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 3g2s h ILE 115 CO -0.12 0.10 0.11 -0.07 0.00 0.00 0.00 178.15 178.16 3g2s h LEU 116 N 0.55 0.65 -0.14 1.44 3.38 -0.99 -1.07 115.31 119.13 3g2s h LEU 116 Ca 0.23 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 3g2s h LEU 116 Cb 0.11 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3g2s h LEU 116 CO -0.14 0.65 -0.12 -0.08 0.09 0.00 0.00 178.44 178.84 3g2s h GLU 117 N 0.68 0.32 -0.27 1.13 4.81 -0.93 -1.51 114.58 118.80 3g2s h GLU 117 Ca 0.15 -0.16 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 3g2s h GLU 117 Cb 0.27 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 3g2s h GLU 117 CO -0.00 0.70 0.11 -0.07 -0.73 0.00 0.00 179.01 179.02 3g2s h LEU 118 N -0.05 0.15 -0.82 1.64 3.38 -1.01 -1.48 115.31 117.11 3g2s h LEU 118 Ca 0.02 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.04 3g2s h LEU 118 Cb 0.63 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 3g2s h LEU 118 CO 0.03 0.12 0.53 -0.07 0.09 0.00 0.00 178.44 179.14 3g2s h LEU 119 N 0.25 0.89 -0.49 1.67 3.38 -1.11 -1.37 115.31 118.53 3g2s h LEU 119 Ca 0.12 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3g2s h LEU 119 Cb 0.06 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3g2s h LEU 119 CO -0.10 0.62 0.14 0.22 0.09 0.00 0.00 178.44 179.40 3g2s h TYR 120 N 1.04 0.81 -0.99 1.13 3.20 -1.13 -0.76 116.97 120.27 3g2s h TYR 120 Ca 0.32 -0.09 0.02 0.00 3.14 0.00 0.00 58.73 62.12 3g2s h TYR 120 Cb -0.03 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 37.96 3g2s h TYR 120 CO -0.02 0.71 0.65 0.66 -1.64 0.00 0.00 178.16 178.52 3g2s h SER 121 N 0.66 1.11 0.22 -2.11 4.64 -0.47 -1.97 113.55 115.64 3g2s h SER 121 Ca 0.16 -0.02 -0.17 0.00 -0.47 0.00 0.00 61.79 61.28 3g2s h SER 121 Cb 0.30 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 3g2s h SER 121 CO -0.00 0.78 -0.66 -0.50 -0.87 0.00 0.00 176.83 175.58 3g2s h TRP 122 N 1.30 0.54 -0.60 4.77 6.55 -0.91 0.19 115.95 127.78 3g2s h TRP 122 Ca 0.37 -0.22 0.00 0.00 0.95 0.00 0.00 58.89 60.00 3g2s h TRP 122 Cb -0.08 -0.09 -0.03 0.00 -0.86 0.00 0.00 29.16 28.10 3g2s h TRP 122 CO -0.00 0.95 0.38 1.79 -1.05 0.00 0.00 178.44 180.51 3g2s h THR 123 N 0.29 1.16 0.18 1.49 1.35 -0.42 0.23 112.91 117.21 3g2s h THR 123 Ca -0.02 -0.33 -0.35 0.00 -0.55 0.00 0.00 66.41 65.16 3g2s h THR 123 Cb 1.21 0.30 0.01 0.00 -1.73 0.00 0.00 68.15 67.93 3g2s h THR 123 CO 0.11 0.17 -1.75 -0.37 -0.25 0.00 0.00 175.52 173.43 3g2s h VAL 124 N 0.82 0.94 0.00 6.82 -1.51 -1.33 -3.38 116.25 118.61 3g2s h VAL 124 Ca 0.22 -2.53 -0.08 0.00 -1.23 0.00 0.00 66.70 63.08 3g2s h VAL 124 Cb -0.06 2.75 -0.01 0.00 -2.13 0.00 0.00 31.29 31.84 3g2s h VAL 124 CO -0.04 0.86 -0.94 1.23 -1.23 0.00 0.00 177.57 177.44 3g2s h GLY 125 N 0.78 0.00 -5.35 5.19 0.00 -0.92 -3.40 103.07 99.37 3g2s h GLY 125 Ca -0.34 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.48 3g2s h GLY 125 CO 0.17 0.00 -0.96 1.04 0.00 0.00 0.00 176.54 176.80 3g2s n LEU 126 N -2.91 2.68 0.00 3.11 4.77 0.82 -4.91 117.00 120.56 3g2s n LEU 126 Ca -0.03 -4.99 0.07 0.00 -0.03 0.00 0.00 56.01 51.03 3g2s n LEU 126 Cb 0.69 0.09 0.35 0.00 -2.33 0.00 0.00 43.42 42.22 3g2s n LEU 126 CO 0.40 2.16 0.69 -2.65 -1.33 0.00 0.00 177.39 176.67 3g2s n PRO 127 N -0.07 0.18 -0.28 3.23 -0.02 -1.26 -1.20 135.00 135.58 3g2s n PRO 127 Ca 0.26 0.16 -0.01 0.00 -2.02 0.00 0.00 63.50 61.89 3g2s n PRO 127 Cb 0.61 -1.50 0.11 0.00 -0.02 0.00 0.00 33.50 32.70 3g2s n PRO 127 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3g2s h GLU 128 N 0.00 0.89 -5.61 -0.52 9.09 -1.91 -3.35 114.58 113.16 3g2s h GLU 128 Ca 0.00 -0.05 -0.68 0.00 0.05 0.00 0.00 59.36 58.68 3g2s h GLU 128 Cb 0.14 -0.20 -0.11 0.00 -1.65 0.00 0.00 28.75 26.93 3g2s h GLU 128 CO 0.00 0.59 1.83 -1.21 0.05 0.00 0.00 179.01 180.26 3g2s s GLU 129 N -6.09 3.92 0.48 1.06 0.41 -0.34 -4.84 118.70 113.29 3g2s s GLU 129 Ca -0.13 -1.97 0.17 0.00 -0.41 0.00 0.00 54.97 52.63 3g2s s GLU 129 Cb 0.17 -5.37 1.16 0.00 -1.78 0.00 0.00 34.13 28.31 3g2s s GLU 129 CO 0.78 -2.12 2.03 -0.39 -0.49 0.00 0.00 175.26 175.08 3g2s h VAL 130 N 5.59 0.90 0.00 2.63 -1.51 -1.83 -2.43 116.25 119.59 3g2s h VAL 130 Ca 0.36 -0.08 -0.13 0.00 -1.23 0.00 0.00 66.70 65.63 3g2s h VAL 130 Cb 0.90 0.66 -0.02 0.00 -2.13 0.00 0.00 31.29 30.70 3g2s h VAL 130 CO 1.39 0.04 -0.63 0.11 -1.23 0.00 0.00 177.57 177.25 3g2s h LYS 131 N 0.22 0.00 -0.29 5.19 1.57 -1.89 -0.15 116.57 121.23 3g2s h LYS 131 Ca 0.19 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3g2s h LYS 131 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3g2s h LYS 131 CO -0.03 0.63 0.17 0.82 -0.57 0.00 0.00 179.45 180.46 3g2s h ILE 132 N 0.00 1.11 -0.81 1.86 2.04 -1.70 0.52 117.51 120.54 3g2s h ILE 132 Ca -0.01 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.60 3g2s h ILE 132 Cb 1.12 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 3g2s h ILE 132 CO 0.08 0.11 0.52 0.00 0.00 0.00 0.00 178.15 178.87 3g2s h ALA 133 N 1.05 1.05 -0.57 1.87 0.00 -1.51 -0.96 119.26 120.20 3g2s h ALA 133 Ca 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3g2s h ALA 133 Cb 0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3g2s h ALA 133 CO -0.02 0.37 0.33 0.93 0.00 0.00 0.00 179.25 180.86 3g2s h GLU 134 N 1.04 0.78 -0.38 0.00 5.08 -0.58 0.31 114.58 120.84 3g2s h GLU 134 Ca 0.32 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.51 3g2s h GLU 134 Cb -0.03 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 3g2s h GLU 134 CO -0.10 0.58 -0.09 0.00 -1.00 0.00 0.00 179.01 178.40 3g2s h ALA 135 N 1.16 0.52 -0.64 3.43 0.00 -0.56 -1.95 119.26 121.22 3g2s h ALA 135 Ca 0.20 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 3g2s h ALA 135 Cb 0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3g2s h ALA 135 CO -0.04 0.38 0.09 -0.92 0.00 0.00 0.00 179.25 178.75 3g2s h TYR 136 N 0.53 1.15 -0.83 0.00 3.20 -0.93 -1.56 116.97 118.53 3g2s h TYR 136 Ca 0.10 -0.17 -0.03 0.00 3.14 0.00 0.00 58.73 61.77 3g2s h TYR 136 Cb 0.60 -0.31 -0.04 0.00 1.54 0.00 0.00 36.73 38.52 3g2s h TYR 136 CO 0.05 0.98 0.40 1.96 -1.64 0.00 0.00 178.16 179.91 3g2s h GLN 137 N 0.99 1.20 -0.59 1.82 1.08 -0.82 -1.50 115.11 117.29 3g2s h GLN 137 Ca 0.19 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 57.20 3g2s h GLN 137 Cb 0.46 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.65 3g2s h GLN 137 CO 0.02 0.92 0.30 1.98 -0.95 0.00 0.00 178.83 181.09 3g2s h MET 138 N 1.18 0.84 -0.70 1.46 4.05 -0.92 -0.06 114.93 120.78 3g2s h MET 138 Ca 0.29 -0.11 0.00 0.00 -0.28 0.00 0.00 59.70 59.59 3g2s h MET 138 Cb 0.12 -0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 30.73 3g2s h MET 138 CO -0.04 0.67 0.44 -0.07 0.23 0.00 0.00 176.91 178.14 3g2s h LEU 139 N 0.80 0.83 -0.54 3.39 3.38 -0.80 -0.25 115.31 122.12 3g2s h LEU 139 Ca 0.20 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 3g2s h LEU 139 Cb 0.09 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3g2s h LEU 139 CO -0.03 0.63 0.09 0.11 0.09 0.00 0.00 178.44 179.33 3g2s h LYS 140 N 0.96 0.89 -0.85 1.13 1.79 -1.05 -0.62 116.57 118.82 3g2s h LYS 140 Ca 0.25 -0.24 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 3g2s h LYS 140 Cb -0.06 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 30.44 3g2s h LYS 140 CO -0.05 0.87 0.49 -0.22 -1.08 0.00 0.00 179.45 179.46 3g2s h LYS 141 N 0.78 1.16 -0.01 3.15 3.64 -0.50 -1.13 116.57 123.67 3g2s h LYS 141 Ca 0.16 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3g2s h LYS 141 Cb 0.41 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3g2s h LYS 141 CO 0.01 0.83 0.00 1.04 -2.27 0.00 0.00 179.45 179.06 3g2s n GLN 142 N -4.36 1.05 -1.00 1.90 1.13 -0.15 -4.91 117.38 111.05 3g2s n GLN 142 Ca 0.09 -0.08 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 3g2s n GLN 142 Cb 0.08 -1.38 0.00 0.00 0.11 0.00 0.00 30.24 29.04 3g2s n GLN 142 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3g2s n GLY 143 N 0.90 0.39 3.65 1.08 0.00 -0.43 -5.01 105.19 105.78 3g2s n GLY 143 Ca 0.18 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 3g2s n GLY 143 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g2s s ILE 144 N -2.00 4.51 0.24 -0.61 -1.09 -0.29 -5.00 121.20 116.95 3g2s s ILE 144 Ca 0.00 1.80 0.03 0.00 -2.23 0.00 0.00 60.65 60.26 3g2s s ILE 144 Cb 0.00 -4.26 -0.05 0.00 -1.58 0.00 0.00 42.46 36.57 3g2s s ILE 144 CO 0.00 -0.27 0.01 0.68 -1.23 0.00 0.00 174.94 174.13 3g2s s VAL 145 N 3.46 0.98 -2.00 2.92 -7.23 -1.26 -4.42 120.40 112.85 3g2s s VAL 145 Ca 0.48 -2.03 0.11 0.00 -1.81 0.00 0.00 61.98 58.73 3g2s s VAL 145 Cb -0.16 -2.38 0.32 0.00 0.56 0.00 0.00 36.38 34.73 3g2s s VAL 145 CO 0.11 -0.29 1.12 0.29 -0.31 0.00 0.00 175.10 176.02