#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pmx s PRO 2 N 0.00 3.61 -0.15 1.61 0.04 -1.26 -5.06 135.00 133.80 1pmx s PRO 2 Ca 0.00 1.46 -0.04 0.00 0.04 0.00 0.00 61.00 62.46 1pmx s PRO 2 Cb 0.00 -2.06 0.07 0.00 0.04 0.00 0.00 34.50 32.55 1pmx s PRO 2 CO 0.00 -0.61 0.20 -1.21 0.04 0.00 0.00 177.00 175.42 1pmx s GLU 3 N -3.26 0.12 0.22 4.56 0.41 -1.26 -5.15 118.70 114.34 1pmx s GLU 3 Ca 0.70 0.40 0.04 0.00 -0.41 0.00 0.00 54.97 55.70 1pmx s GLU 3 Cb -0.19 -0.72 -0.02 0.00 -1.78 0.00 0.00 34.13 31.42 1pmx s GLU 3 CO 0.23 -0.48 0.16 0.25 -0.49 0.00 0.00 175.26 174.93 1pmx n THR 4 N 5.32 0.00 -3.62 3.63 -2.24 -1.26 -4.38 114.28 111.73 1pmx n THR 4 Ca -0.05 -1.51 -0.24 0.00 -2.27 0.00 0.00 64.05 59.98 1pmx n THR 4 Cb 0.50 0.71 -0.17 0.00 -2.10 0.00 0.00 70.33 69.26 1pmx n THR 4 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1pmx s LEU 5 N 0.00 0.27 0.09 3.22 2.96 -1.24 -5.01 118.68 118.97 1pmx s LEU 5 Ca 0.22 -0.39 -0.01 0.00 -0.22 0.00 0.00 54.13 53.73 1pmx s LEU 5 Cb 0.01 -0.19 -0.04 0.00 0.50 0.00 0.00 46.19 46.47 1pmx s LEU 5 CO 0.16 -0.32 0.02 0.00 -1.32 0.00 0.00 176.35 174.88 1pmx n GLY 7 N 0.01 1.38 0.31 0.00 0.00 -1.26 -2.79 105.19 102.84 1pmx n GLY 7 Ca -0.10 -0.63 0.13 0.00 0.00 0.00 0.00 46.02 45.42 1pmx n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pmx h ALA 8 N -0.75 2.14 -0.86 4.61 0.00 -1.99 -1.43 119.26 120.98 1pmx h ALA 8 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1pmx h ALA 8 Cb 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1pmx h ALA 8 CO 0.00 -0.25 0.56 0.93 0.00 0.00 0.00 179.25 180.50 1pmx h GLU 9 N 0.00 1.14 -0.02 0.00 5.08 -1.92 0.81 114.58 119.67 1pmx h GLU 9 Ca 0.09 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1pmx h GLU 9 Cb 0.38 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1pmx h GLU 9 CO -0.00 0.76 -0.09 1.25 -1.00 0.00 0.00 179.01 179.93 1pmx h LEU 10 N 1.17 0.11 -1.30 1.33 5.85 -1.31 -2.67 115.31 118.50 1pmx h LEU 10 Ca 0.31 -0.65 -0.06 0.00 0.84 0.00 0.00 57.88 58.32 1pmx h LEU 10 Cb -0.12 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1pmx h LEU 10 CO -0.07 0.75 -0.23 0.58 -0.34 0.00 0.00 178.44 179.14 1pmx h VAL 11 N -0.51 1.21 -0.23 1.05 2.07 -1.27 -2.74 116.25 115.83 1pmx h VAL 11 Ca -0.01 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.48 1pmx h VAL 11 Cb 0.74 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1pmx h VAL 11 CO 0.02 0.30 0.02 0.44 0.02 0.00 0.00 177.57 178.36 1pmx h ASP 12 N 0.17 0.39 -0.27 0.57 5.19 0.63 -1.59 116.42 121.52 1pmx h ASP 12 Ca 0.03 -0.29 0.01 0.00 -0.62 0.00 0.00 57.03 56.16 1pmx h ASP 12 Cb 0.50 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.89 1pmx h ASP 12 CO 0.03 0.59 0.15 0.00 -3.12 0.00 0.00 179.24 176.89 1pmx h ALA 13 N 0.82 0.33 -0.87 3.45 0.00 -1.29 0.30 119.26 122.00 1pmx h ALA 13 Ca 0.07 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1pmx h ALA 13 Cb 0.37 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1pmx h ALA 13 CO 0.01 -0.23 0.54 -0.07 0.00 0.00 0.00 179.25 179.50 1pmx h LEU 14 N 0.32 1.03 -0.76 0.00 3.38 -1.45 0.51 115.31 118.34 1pmx h LEU 14 Ca 0.11 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1pmx h LEU 14 Cb 0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1pmx h LEU 14 CO -0.05 0.79 -0.52 1.56 0.09 0.00 0.00 178.44 180.30 1pmx h GLN 15 N 1.19 0.25 0.03 1.13 1.08 -0.85 0.49 115.11 118.43 1pmx h GLN 15 Ca 0.31 -0.15 -0.22 0.00 -1.45 0.00 0.00 58.65 57.15 1pmx h GLN 15 Cb -0.07 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 1pmx h GLN 15 CO -0.06 0.72 -0.97 0.35 -0.95 0.00 0.00 178.83 177.91 1pmx h PHE 16 N 0.20 0.28 0.00 2.96 3.57 0.29 -1.67 116.94 122.56 1pmx h PHE 16 Ca 0.00 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.33 1pmx h PHE 16 Cb 0.99 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.71 1pmx h PHE 16 CO 0.02 1.04 -0.16 0.28 -2.23 0.00 0.00 178.31 177.26 1pmx h VAL 17 N 0.08 0.00 0.07 1.41 2.07 0.13 -3.42 116.25 116.59 1pmx h VAL 17 Ca -0.06 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 1pmx h VAL 17 Cb 1.65 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1pmx h VAL 17 CO 0.15 0.00 -0.03 0.00 0.02 0.00 0.00 177.57 177.71 1pmx n GLY 19 N 0.38 4.00 0.29 0.00 0.00 -0.63 -1.17 105.19 108.07 1pmx n GLY 19 Ca -0.09 0.19 0.13 0.00 0.00 0.00 0.00 46.02 46.26 1pmx n GLY 19 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pmx h ASP 20 N 0.00 0.00 0.18 1.61 5.19 -1.91 -3.13 116.42 118.36 1pmx h ASP 20 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1pmx h ASP 20 Cb 0.00 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 1pmx h ASP 20 CO 0.00 0.00 -0.14 0.03 -3.12 0.00 0.00 179.24 176.01 1pmx h ARG 21 N 0.00 -0.30 0.00 3.56 2.47 -1.50 -3.47 114.38 115.14 1pmx h ARG 21 Ca 0.02 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1pmx h ARG 21 Cb 0.11 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 1pmx h ARG 21 CO -0.00 -0.20 0.00 0.41 0.56 0.00 0.00 179.97 180.74 1pmx n GLY 22 N -1.16 3.78 3.04 0.04 0.00 -1.18 -4.57 105.19 105.13 1pmx n GLY 22 Ca -0.04 -1.46 -0.19 0.00 0.00 0.00 0.00 46.02 44.33 1pmx n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1pmx s PHE 23 N -1.19 0.90 0.06 1.61 -0.71 -1.26 -1.26 117.98 116.13 1pmx s PHE 23 Ca 0.00 -0.17 0.06 0.00 -1.04 0.00 0.00 56.93 55.78 1pmx s PHE 23 Cb 0.00 -0.58 -0.04 0.00 -1.21 0.00 0.00 43.02 41.20 1pmx s PHE 23 CO 0.00 -0.02 -0.11 1.52 -1.34 0.00 0.00 175.22 175.27 1pmx s TYR 24 N -0.23 2.74 -0.40 3.49 -0.85 -1.26 -5.02 117.35 115.82 1pmx s TYR 24 Ca 0.04 -0.14 0.07 0.00 -0.52 0.00 0.00 57.07 56.51 1pmx s TYR 24 Cb -0.04 -1.50 0.55 0.00 0.38 0.00 0.00 41.96 41.36 1pmx s TYR 24 CO -0.00 0.37 1.51 1.19 -1.52 0.00 0.00 175.55 177.10 1pmx n PHE 25 N 1.18 1.81 -3.21 -3.49 3.01 -1.26 -4.66 117.46 110.85 1pmx n PHE 25 Ca -0.15 -0.92 0.00 0.00 1.01 0.00 0.00 57.45 57.39 1pmx n PHE 25 Cb 0.52 -0.55 -0.01 0.00 -0.01 0.00 0.00 39.48 39.43 1pmx n PHE 25 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1pmx s ASN 26 N -0.60 -1.28 0.14 4.37 0.02 -1.26 -4.07 114.94 112.26 1pmx s ASN 26 Ca 0.40 -0.53 -0.18 0.00 -1.02 0.00 0.00 52.86 51.54 1pmx s ASN 26 Cb 0.32 1.85 0.00 0.00 0.02 0.00 0.00 41.25 43.44 1pmx s ASN 26 CO 0.10 -0.22 1.75 0.11 0.02 0.00 0.00 177.10 178.86 1pmx h LYS 27 N 7.36 0.22 0.00 -0.60 1.79 -1.93 -3.44 116.57 119.97 1pmx h LYS 27 Ca 0.02 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1pmx h LYS 27 Cb 1.17 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 1pmx h LYS 27 CO 0.13 0.15 0.00 -0.35 -1.08 0.00 0.00 179.45 178.30 1pmx n PRO 28 N -5.02 0.23 -3.41 3.15 -0.04 -1.26 -5.11 135.00 123.53 1pmx n PRO 28 Ca -0.01 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.47 1pmx n PRO 28 Cb 0.09 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.53 1pmx n PRO 28 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1pmx s THR 29 N -0.71 -1.00 0.00 0.52 -1.32 -1.26 -5.02 115.64 106.85 1pmx s THR 29 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1pmx s THR 29 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1pmx s THR 29 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 1pmx n GLY 30 N 5.44 -0.52 3.67 6.08 0.00 -1.26 -5.12 105.19 113.47 1pmx n GLY 30 Ca -0.07 0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1pmx n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pmx s TYR 31 N 0.00 3.27 0.00 1.61 1.51 -1.26 -4.69 117.35 117.79 1pmx s TYR 31 Ca 0.00 1.39 0.00 0.00 -1.01 0.00 0.00 57.07 57.45 1pmx s TYR 31 Cb 0.00 -3.31 0.00 0.00 -0.11 0.00 0.00 41.96 38.54 1pmx s TYR 31 CO 0.00 -0.70 0.00 0.41 -1.11 0.00 0.00 175.55 174.15 1pmx n GLY 32 N 3.34 -0.85 2.13 0.71 0.00 -1.26 -5.05 105.19 104.21 1pmx n GLY 32 Ca 0.12 0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1pmx n GLY 32 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pmx n SER 33 N 0.00 4.96 -3.98 1.61 2.88 -1.26 -4.94 113.62 112.89 1pmx n SER 33 Ca 0.00 -3.70 -0.09 0.00 -1.33 0.00 0.00 58.87 53.75 1pmx n SER 33 Cb 0.00 -0.84 -0.10 0.00 -0.75 0.00 0.00 64.21 62.53 1pmx n SER 33 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1pmx s SER 34 N -1.73 0.27 -0.21 -3.46 1.04 -1.26 -5.09 113.70 103.26 1pmx s SER 34 Ca 0.58 -0.67 -0.16 0.00 0.48 0.00 0.00 55.95 56.18 1pmx s SER 34 Cb 0.48 0.21 -0.09 0.00 0.10 0.00 0.00 66.02 66.72 1pmx s SER 34 CO 0.05 -0.52 -0.23 -1.20 0.98 0.00 0.00 173.24 172.33 1pmx n SER 35 N 0.64 1.91 -0.02 7.02 7.64 -1.26 -4.65 113.62 124.89 1pmx n SER 35 Ca -0.18 0.41 -0.13 0.00 1.01 0.00 0.00 58.87 59.98 1pmx n SER 35 Cb 0.59 -0.83 -0.10 0.00 -1.01 0.00 0.00 64.21 62.86 1pmx n SER 35 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1pmx h ARG 36 N -1.00 0.00 -6.36 1.43 2.43 -2.03 -3.43 114.38 105.42 1pmx h ARG 36 Ca -0.26 -0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.36 1pmx h ARG 36 Cb 1.13 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.66 1pmx h ARG 36 CO -0.16 0.57 0.51 0.50 -1.51 0.00 0.00 179.97 179.87 1pmx s ARG 37 N -3.95 4.47 -0.32 0.20 6.06 -1.26 -5.00 118.95 119.15 1pmx s ARG 37 Ca -0.16 1.51 0.01 0.00 -2.50 0.00 0.00 55.73 54.59 1pmx s ARG 37 Cb 0.01 -3.48 0.19 0.00 0.06 0.00 0.00 34.95 31.73 1pmx s ARG 37 CO 0.68 -0.22 0.74 0.00 -2.50 0.00 0.00 175.30 173.99 1pmx s ALA 38 N 1.49 -2.93 0.90 6.12 0.00 -1.26 -4.48 121.76 121.61 1pmx s ALA 38 Ca 0.53 0.96 -0.12 0.00 0.00 0.00 0.00 51.96 53.33 1pmx s ALA 38 Cb -0.22 -2.69 0.13 0.00 0.00 0.00 0.00 23.12 20.34 1pmx s ALA 38 CO 0.24 -2.03 1.10 -1.25 0.00 0.00 0.00 175.76 173.83 1pmx s PRO 39 N 2.57 1.23 -0.14 0.00 0.04 -1.26 -5.05 135.00 132.39 1pmx s PRO 39 Ca 0.16 0.56 -0.02 0.00 0.04 0.00 0.00 61.00 61.74 1pmx s PRO 39 Cb -0.06 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 1pmx s PRO 39 CO -0.20 -2.19 -0.07 1.14 0.04 0.00 0.00 177.00 175.71 1pmx s GLN 40 N -5.09 3.48 0.32 4.56 0.00 -1.26 -5.09 119.66 116.58 1pmx s GLN 40 Ca 0.63 -0.57 -0.10 0.00 -0.00 0.00 0.00 55.36 55.33 1pmx s GLN 40 Cb -0.16 -2.79 0.04 0.00 0.00 0.00 0.00 33.01 30.09 1pmx s GLN 40 CO 0.55 0.29 0.60 0.25 0.00 0.00 0.00 175.29 176.98 1pmx n THR 41 N 3.36 0.00 0.00 3.63 -2.24 -1.26 -4.90 114.28 112.87 1pmx n THR 41 Ca -0.18 -1.00 0.00 0.00 -2.27 0.00 0.00 64.05 60.60 1pmx n THR 41 Cb 0.53 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 1pmx n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pmx n GLY 42 N -0.46 1.31 0.10 3.38 0.00 -1.26 -4.47 105.19 103.80 1pmx n GLY 42 Ca -0.05 -0.89 -0.02 0.00 0.00 0.00 0.00 46.02 45.07 1pmx n GLY 42 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1pmx h ILE 43 N 0.00 0.91 0.45 -0.61 2.10 -1.92 -3.26 117.51 115.19 1pmx h ILE 43 Ca 0.00 -2.44 -0.01 0.00 1.08 0.00 0.00 64.86 63.48 1pmx h ILE 43 Cb 0.00 2.38 -0.01 0.00 -1.09 0.00 0.00 36.82 38.10 1pmx h ILE 43 CO 0.00 0.52 -0.32 0.58 -1.08 0.00 0.00 178.15 177.85 1pmx h VAL 44 N 0.00 0.35 0.00 2.19 2.07 -1.92 0.82 116.25 119.75 1pmx h VAL 44 Ca -0.09 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1pmx h VAL 44 Cb 1.60 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1pmx h VAL 44 CO 0.07 0.00 -0.06 0.44 0.02 0.00 0.00 177.57 178.05 1pmx h ASP 45 N -0.75 0.00 0.58 0.57 5.19 -1.90 0.84 116.42 120.95 1pmx h ASP 45 Ca -0.05 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.12 1pmx h ASP 45 Cb 0.63 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.10 1pmx h ASP 45 CO 0.02 0.06 -1.58 1.21 -3.12 0.00 0.00 179.24 175.83 1pmx n GLU 46 N -3.23 0.63 -0.05 3.56 4.07 -0.91 -3.49 120.64 121.21 1pmx n GLU 46 Ca -0.00 0.28 -0.12 0.00 -0.06 0.00 0.00 57.16 57.25 1pmx n GLU 46 Cb 0.28 -1.80 -0.04 0.00 -0.06 0.00 0.00 31.44 29.82 1pmx n GLU 46 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1pmx h PHE 49 N -0.61 0.57 -3.99 0.00 -1.00 -1.37 -3.44 116.94 107.10 1pmx h PHE 49 Ca -0.04 -0.10 -0.46 0.00 2.81 0.00 0.00 57.97 60.19 1pmx h PHE 49 Cb 0.44 -0.15 -0.23 0.00 3.61 0.00 0.00 35.95 39.62 1pmx h PHE 49 CO 0.01 0.65 -0.80 1.03 -1.61 0.00 0.00 178.31 177.59 1pmx s ARG 50 N -5.03 0.96 0.37 1.51 0.52 -1.23 -5.04 118.95 111.01 1pmx s ARG 50 Ca -0.13 -0.93 -0.28 0.00 -0.52 0.00 0.00 55.73 53.86 1pmx s ARG 50 Cb 0.08 -1.02 -0.11 0.00 0.52 0.00 0.00 34.95 34.42 1pmx s ARG 50 CO 0.76 0.24 1.50 -1.54 0.02 0.00 0.00 175.30 176.28 1pmx s SER 51 N -1.54 6.34 0.16 0.23 1.04 -1.25 -2.85 113.70 115.82 1pmx s SER 51 Ca 0.01 3.05 0.02 0.00 0.48 0.00 0.00 55.95 59.51 1pmx s SER 51 Cb -0.09 -2.67 -0.01 0.00 0.10 0.00 0.00 66.02 63.35 1pmx s SER 51 CO 0.02 -0.88 0.06 0.00 0.98 0.00 0.00 173.24 173.42 1pmx s ASP 53 N -1.99 4.89 0.55 0.00 -4.77 -1.26 -4.99 116.67 109.09 1pmx s ASP 53 Ca 0.09 -0.07 0.24 0.00 -3.30 0.00 0.00 52.55 49.51 1pmx s ASP 53 Cb 0.00 -1.69 1.48 0.00 -1.09 0.00 0.00 42.92 41.62 1pmx s ASP 53 CO 0.06 0.22 2.09 -0.07 0.70 0.00 0.00 175.17 178.17 1pmx h LEU 54 N 6.36 0.00 -2.06 2.11 -0.00 -2.03 -1.07 115.31 118.62 1pmx h LEU 54 Ca -0.36 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.55 1pmx h LEU 54 Cb 1.19 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.84 1pmx h LEU 54 CO 0.61 0.00 0.06 0.03 -0.00 0.00 0.00 178.44 179.14 1pmx h ARG 55 N 0.00 0.00 0.00 1.13 3.08 -2.04 -1.17 114.38 115.39 1pmx h ARG 55 Ca 0.11 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1pmx h ARG 55 Cb 0.47 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 1pmx h ARG 55 CO -0.00 0.00 -0.04 0.00 -1.07 0.00 0.00 179.97 178.86 1pmx h ARG 56 N 0.00 0.00 -0.29 0.04 2.47 -1.61 -2.09 114.38 112.89 1pmx h ARG 56 Ca 0.04 0.00 0.09 0.00 -1.26 0.00 0.00 59.98 58.84 1pmx h ARG 56 Cb 0.16 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 1pmx h ARG 56 CO -0.00 0.04 0.21 -0.07 0.56 0.00 0.00 179.97 180.72 1pmx h LEU 57 N 0.00 0.00 -1.03 3.04 3.38 -1.37 -0.49 115.31 118.84 1pmx h LEU 57 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1pmx h LEU 57 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1pmx h LEU 57 CO 0.01 0.00 -0.48 -0.33 0.09 0.00 0.00 178.44 177.73 1pmx h GLU 58 N 0.00 0.00 -0.17 1.13 5.08 -1.55 -3.16 114.58 115.91 1pmx h GLU 58 Ca 0.14 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 1pmx h GLU 58 Cb 0.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1pmx h GLU 58 CO -0.00 0.48 0.03 0.52 -1.00 0.00 0.00 179.01 179.04 1pmx h MET 59 N 0.00 0.28 -0.07 2.33 2.86 -1.22 -2.89 114.93 116.22 1pmx h MET 59 Ca -0.00 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1pmx h MET 59 Cb 0.86 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.48 1pmx h MET 59 CO 0.06 0.44 0.03 1.88 1.06 0.00 0.00 176.91 180.38 1pmx h TYR 60 N 0.08 0.09 -2.65 -0.22 0.05 -1.54 -3.43 116.97 109.35 1pmx h TYR 60 Ca 0.05 0.00 -0.52 0.00 0.05 0.00 0.00 58.73 58.31 1pmx h TYR 60 Cb 0.29 -0.03 0.06 0.00 1.01 0.00 0.00 36.73 38.06 1pmx h TYR 60 CO 0.01 0.06 1.03 0.00 -1.05 0.00 0.00 178.16 178.21 1pmx n ALA 62 N 4.16 0.22 0.26 0.00 0.00 -0.39 -4.90 120.51 119.86 1pmx n ALA 62 Ca 0.16 -0.11 0.14 0.00 0.00 0.00 0.00 53.44 53.63 1pmx n ALA 62 Cb 0.35 -2.18 0.66 0.00 0.00 0.00 0.00 19.45 18.29 1pmx n ALA 62 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1pmx h PRO 63 N 0.05 0.00 -6.57 0.00 0.13 -1.93 -3.45 132.00 120.22 1pmx h PRO 63 Ca -0.48 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.34 1pmx h PRO 63 Cb 1.34 0.00 0.18 0.00 0.13 0.00 0.00 31.00 32.65 1pmx h PRO 63 CO 0.49 0.11 -0.17 1.47 -0.23 0.00 0.00 178.00 179.67 1pmx n LEU 64 N -3.34 -0.69 -3.64 1.56 -0.00 -1.26 -5.07 117.00 104.56 1pmx n LEU 64 Ca -0.00 -0.68 -0.09 0.00 -0.00 0.00 0.00 56.01 55.23 1pmx n LEU 64 Cb 0.31 -0.92 -0.07 0.00 -0.00 0.00 0.00 43.42 42.75 1pmx n LEU 64 CO 0.29 -4.09 0.53 -0.75 -0.00 0.00 0.00 177.39 173.38 1pmx s LYS 65 N -4.45 0.65 1.17 1.47 2.36 -1.26 -4.91 119.74 114.77 1pmx s LYS 65 Ca 0.55 0.89 -0.20 0.00 -2.55 0.00 0.00 55.97 54.66 1pmx s LYS 65 Cb -0.10 0.25 0.29 0.00 -1.05 0.00 0.00 37.83 37.22 1pmx s LYS 65 CO 0.47 -0.10 1.14 -0.35 1.55 0.00 0.00 175.35 178.06 1pmx n PRO 66 N 3.07 -2.75 -3.54 4.03 -0.04 -1.26 -5.07 135.00 129.45 1pmx n PRO 66 Ca -0.16 -1.80 -0.20 0.00 -0.04 0.00 0.00 63.50 61.30 1pmx n PRO 66 Cb 0.57 -1.57 -0.01 0.00 -0.04 0.00 0.00 33.50 32.45 1pmx n PRO 66 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pmx s ALA 67 N -3.22 4.12 -0.26 0.55 0.00 -1.26 -5.09 121.76 116.59 1pmx s ALA 67 Ca 0.72 -1.36 -0.11 0.00 0.00 0.00 0.00 51.96 51.20 1pmx s ALA 67 Cb -0.06 -1.74 -0.05 0.00 0.00 0.00 0.00 23.12 21.27 1pmx s ALA 67 CO 0.54 0.00 0.21 0.21 0.00 0.00 0.00 175.76 176.72 1pmx s LYS 68 N -4.17 4.00 -0.25 0.00 2.36 -1.26 -5.06 119.74 115.37 1pmx s LYS 68 Ca 0.43 -0.25 -0.14 0.00 -2.55 0.00 0.00 55.97 53.45 1pmx s LYS 68 Cb -0.09 -3.62 0.07 0.00 -1.05 0.00 0.00 37.83 33.14 1pmx s LYS 68 CO 0.31 -0.12 0.61 -1.54 1.55 0.00 0.00 175.35 176.17 1pmx s SER 69 N 1.53 -0.82 0.00 1.43 1.04 -1.26 -5.37 113.70 110.25 1pmx s SER 69 Ca 0.08 1.33 0.00 0.00 0.48 0.00 0.00 55.95 57.85 1pmx s SER 69 Cb -0.15 1.21 0.00 0.00 0.10 0.00 0.00 66.02 67.18 1pmx s SER 69 CO 0.09 -0.23 0.00 0.00 0.98 0.00 0.00 173.24 174.08