#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 4.32 -0.27 1.61 0.04 -1.26 -5.01 135.00 134.43 1pmx s PRO 2 Ca 0.00 1.76 -0.01 0.00 0.04 0.00 0.00 61.00 62.79 1pmx s PRO 2 Cb 0.00 -3.58 0.09 0.00 0.04 0.00 0.00 34.50 31.04 1pmx s PRO 2 CO 0.00 -0.51 0.07 -1.21 0.04 0.00 0.00 177.00 175.39 1pmx s GLU 3 N 2.40 0.74 0.40 4.56 8.01 -1.26 -5.12 118.70 128.43 1pmx s GLU 3 Ca 0.58 -0.87 0.03 0.00 0.01 0.00 0.00 54.97 54.73 1pmx s GLU 3 Cb -0.26 -2.03 -0.03 0.00 -4.31 0.00 0.00 34.13 27.50 1pmx s GLU 3 CO 0.23 -0.87 0.10 0.95 0.01 0.00 0.00 175.26 175.68 1pmx s THR 4 N 1.69 0.80 -0.07 3.63 -4.23 -1.26 -4.36 115.64 111.84 1pmx s THR 4 Ca 0.06 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.54 1pmx s THR 4 Cb -0.17 -2.44 0.04 0.00 1.34 0.00 0.00 72.50 71.27 1pmx s THR 4 CO -0.20 0.00 0.07 -0.22 -0.54 0.00 0.00 174.62 173.73 1pmx s LEU 5 N -3.61 0.17 0.13 4.79 2.96 -1.17 -5.02 118.68 116.92 1pmx s LEU 5 Ca 0.25 -0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 54.10 1pmx s LEU 5 Cb 0.04 -0.14 -0.04 0.00 0.50 0.00 0.00 46.19 46.55 1pmx s LEU 5 CO 0.13 -0.27 0.06 0.00 -1.32 0.00 0.00 176.35 174.95 1pmx n GLY 7 N -0.08 0.37 0.31 0.00 0.00 -1.26 -3.19 105.19 101.33 1pmx n GLY 7 Ca -0.06 -0.85 0.13 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.52 2.18 -0.95 4.61 0.00 -1.99 -1.49 119.26 121.11 1pmx h ALA 8 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1pmx h ALA 8 Cb 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1pmx h ALA 8 CO 0.00 -0.26 0.63 0.93 0.00 0.00 0.00 179.25 180.55 1pmx h GLU 9 N 0.00 1.24 -0.02 0.00 5.08 -1.95 0.77 114.58 119.70 1pmx h GLU 9 Ca 0.10 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1pmx h GLU 9 Cb 0.40 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1pmx h GLU 9 CO -0.00 0.82 -0.05 1.25 -1.00 0.00 0.00 179.01 180.03 1pmx h LEU 10 N 1.28 0.07 -1.28 1.33 5.85 -1.34 -2.63 115.31 118.58 1pmx h LEU 10 Ca 0.35 -0.63 -0.07 0.00 0.84 0.00 0.00 57.88 58.38 1pmx h LEU 10 Cb -0.12 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1pmx h LEU 10 CO -0.08 0.69 -0.22 0.58 -0.34 0.00 0.00 178.44 179.07 1pmx h VAL 11 N -0.54 1.22 -0.27 1.05 2.07 -1.29 -2.71 116.25 115.77 1pmx h VAL 11 Ca -0.00 -1.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.48 1pmx h VAL 11 Cb 0.69 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1pmx h VAL 11 CO 0.01 0.30 -0.00 0.44 0.02 0.00 0.00 177.57 178.34 1pmx h ASP 12 N 0.19 0.47 -0.66 0.57 5.19 0.53 -2.46 116.42 120.26 1pmx h ASP 12 Ca 0.03 -0.31 -0.01 0.00 -0.62 0.00 0.00 57.03 56.12 1pmx h ASP 12 Cb 0.50 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.85 1pmx h ASP 12 CO 0.03 0.67 0.37 0.00 -3.12 0.00 0.00 179.24 177.20 1pmx h ALA 13 N 0.82 0.85 -0.81 3.45 0.00 -1.28 0.35 119.26 122.64 1pmx h ALA 13 Ca 0.08 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1pmx h ALA 13 Cb 0.43 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1pmx h ALA 13 CO 0.01 0.35 0.50 -0.07 0.00 0.00 0.00 179.25 180.05 1pmx h LEU 14 N 0.90 0.96 -0.21 0.00 3.38 -1.42 0.33 115.31 119.24 1pmx h LEU 14 Ca 0.23 -0.04 -0.21 0.00 0.09 0.00 0.00 57.88 57.95 1pmx h LEU 14 Cb 0.03 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1pmx h LEU 14 CO -0.04 0.72 -0.93 1.56 0.09 0.00 0.00 178.44 179.85 1pmx h GLN 15 N 1.11 0.24 -0.24 1.13 1.08 -0.94 0.06 115.11 117.54 1pmx h GLN 15 Ca 0.29 -0.28 -0.07 0.00 -1.45 0.00 0.00 58.65 57.15 1pmx h GLN 15 Cb -0.07 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 1pmx h GLN 15 CO -0.06 1.01 -0.12 0.74 -0.95 0.00 0.00 178.83 179.45 1pmx h PHE 16 N 0.13 0.58 0.03 2.96 0.04 0.48 0.37 116.94 121.52 1pmx h PHE 16 Ca -0.06 -0.14 -0.00 0.00 2.80 0.00 0.00 57.97 60.57 1pmx h PHE 16 Cb 1.57 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 39.58 1pmx h PHE 16 CO 0.04 0.77 -0.01 0.28 -0.60 0.00 0.00 178.31 178.79 1pmx h VAL 17 N 0.23 0.00 0.14 -0.55 2.07 -0.44 -3.40 116.25 114.30 1pmx h VAL 17 Ca 0.05 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1pmx h VAL 17 Cb 0.62 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1pmx h VAL 17 CO 0.04 0.00 -0.06 0.00 0.02 0.00 0.00 177.57 177.56 1pmx n GLY 19 N -0.54 1.32 0.30 0.00 0.00 0.12 -1.34 105.19 105.04 1pmx n GLY 19 Ca -0.09 0.47 -0.05 0.00 0.00 0.00 0.00 46.02 46.36 1pmx n GLY 19 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1pmx h ASP 20 N 0.00 0.83 -0.13 1.61 3.04 -1.89 -2.56 116.42 117.31 1pmx h ASP 20 Ca 0.00 -0.19 0.04 0.00 -3.24 0.00 0.00 57.03 53.64 1pmx h ASP 20 Cb 0.00 -0.22 -0.01 0.00 -1.04 0.00 0.00 39.33 38.07 1pmx h ASP 20 CO 0.00 0.86 0.10 0.03 -2.04 0.00 0.00 179.24 178.19 1pmx h ARG 21 N 0.82 0.00 -0.02 4.15 3.08 -1.47 -3.49 114.38 117.45 1pmx h ARG 21 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1pmx h ARG 21 Cb 0.41 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 1pmx h ARG 21 CO 0.01 0.00 -0.01 0.41 -1.07 0.00 0.00 179.97 179.32 1pmx n GLY 22 N -1.52 -1.64 3.26 0.04 0.00 -0.97 -3.31 105.19 101.05 1pmx n GLY 22 Ca 0.00 -1.52 -0.11 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.55 -0.10 -0.20 1.61 -0.71 -1.26 -2.45 117.98 113.31 1pmx s PHE 23 Ca 0.00 -0.07 -0.00 0.00 -1.04 0.00 0.00 56.93 55.82 1pmx s PHE 23 Cb 0.00 0.11 0.05 0.00 -1.21 0.00 0.00 43.02 41.97 1pmx s PHE 23 CO 0.00 -0.54 -0.05 1.52 -1.34 0.00 0.00 175.22 174.81 1pmx s TYR 24 N -2.83 2.03 0.27 3.49 -0.85 -1.24 -5.02 117.35 113.20 1pmx s TYR 24 Ca -0.03 -1.41 -0.01 0.00 -0.52 0.00 0.00 57.07 55.10 1pmx s TYR 24 Cb 0.00 -1.44 0.54 0.00 0.38 0.00 0.00 41.96 41.43 1pmx s TYR 24 CO -0.05 -0.70 1.77 0.74 -1.52 0.00 0.00 175.55 175.79 1pmx h PHE 25 N 8.04 0.83 -3.50 -3.49 -1.00 -1.97 -3.41 116.94 112.44 1pmx h PHE 25 Ca -0.21 0.03 -0.53 0.00 2.81 0.00 0.00 57.97 60.07 1pmx h PHE 25 Cb 1.09 -0.24 -0.03 0.00 3.61 0.00 0.00 35.95 40.38 1pmx h PHE 25 CO 0.46 0.23 0.20 -0.80 -1.61 0.00 0.00 178.31 176.78 1pmx s ASN 26 N -5.47 7.35 0.13 2.17 -0.87 -1.26 -3.26 114.94 113.73 1pmx s ASN 26 Ca -0.12 1.61 -0.17 0.00 -1.57 0.00 0.00 52.86 52.60 1pmx s ASN 26 Cb 0.22 -2.50 0.04 0.00 -0.02 0.00 0.00 41.25 38.99 1pmx s ASN 26 CO 0.78 0.12 0.44 -0.54 -2.57 0.00 0.00 177.10 175.33 1pmx s LYS 27 N -0.69 1.10 -0.10 -0.60 1.02 -1.26 -5.06 119.74 114.14 1pmx s LYS 27 Ca 0.38 -0.64 -0.29 0.00 0.02 0.00 0.00 55.97 55.43 1pmx s LYS 27 Cb -0.22 0.49 -0.03 0.00 -0.52 0.00 0.00 37.83 37.54 1pmx s LYS 27 CO 0.26 -0.44 1.44 -1.25 -0.92 0.00 0.00 175.35 174.44 1pmx s PRO 28 N -3.72 4.22 -0.05 -1.68 0.04 -1.26 -4.92 135.00 127.63 1pmx s PRO 28 Ca 0.02 1.91 -0.01 0.00 0.04 0.00 0.00 61.00 62.96 1pmx s PRO 28 Cb 0.01 -3.84 0.03 0.00 0.04 0.00 0.00 34.50 30.74 1pmx s PRO 28 CO -0.12 -0.75 0.03 0.95 0.04 0.00 0.00 177.00 177.15 1pmx s THR 29 N 3.63 0.10 0.00 1.26 -4.23 -1.26 -5.10 115.64 110.03 1pmx s THR 29 Ca 0.63 0.25 0.00 0.00 -1.18 0.00 0.00 61.69 61.39 1pmx s THR 29 Cb -0.27 -0.28 0.00 0.00 1.34 0.00 0.00 72.50 73.28 1pmx s THR 29 CO 0.22 0.19 0.00 0.61 -0.54 0.00 0.00 174.62 175.10 1pmx n GLY 30 N 4.93 -0.28 0.00 3.99 0.00 -1.26 -4.89 105.19 107.69 1pmx n GLY 30 Ca -0.11 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1pmx n GLY 30 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1pmx n TYR 31 N -0.27 0.00 -4.96 1.61 4.02 -1.26 -5.05 117.16 111.25 1pmx n TYR 31 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1pmx n TYR 31 Cb 0.00 -0.31 0.00 0.00 -0.02 0.00 0.00 39.34 39.01 1pmx n TYR 31 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pmx n GLY 32 N 2.12 -0.60 2.07 2.72 0.00 -1.26 -4.97 105.19 105.27 1pmx n GLY 32 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.85 -1.40 -3.56 1.61 2.88 -1.26 -5.16 113.62 103.89 1pmx n SER 33 Ca 0.00 0.46 -0.16 0.00 -1.33 0.00 0.00 58.87 57.84 1pmx n SER 33 Cb 0.00 1.46 -0.06 0.00 -0.75 0.00 0.00 64.21 64.86 1pmx n SER 33 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1pmx s SER 34 N -3.24 -0.65 -0.00 -3.46 0.01 -1.26 -5.18 113.70 99.91 1pmx s SER 34 Ca 0.00 0.90 -0.05 0.00 1.31 0.00 0.00 55.95 58.11 1pmx s SER 34 Cb 0.00 0.79 -0.00 0.00 0.21 0.00 0.00 66.02 67.02 1pmx s SER 34 CO 0.00 -0.47 0.10 -0.44 0.41 0.00 0.00 173.24 172.84 1pmx s SER 35 N -0.69 0.05 -0.17 2.44 0.01 -1.26 -5.07 113.70 109.00 1pmx s SER 35 Ca -0.07 -0.19 -0.23 0.00 1.31 0.00 0.00 55.95 56.77 1pmx s SER 35 Cb -0.02 0.19 -0.22 0.00 0.21 0.00 0.00 66.02 66.18 1pmx s SER 35 CO 0.06 -0.29 0.43 0.03 0.41 0.00 0.00 173.24 173.89 1pmx h ARG 36 N 4.69 0.03 -6.03 12.44 2.47 -2.08 -3.46 114.38 122.44 1pmx h ARG 36 Ca -0.30 -0.05 -0.58 0.00 -1.26 0.00 0.00 59.98 57.79 1pmx h ARG 36 Cb 1.20 0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 29.48 1pmx h ARG 36 CO 0.41 1.02 -0.09 0.50 0.56 0.00 0.00 179.97 182.38 1pmx s ARG 37 N -2.33 4.20 -0.56 0.04 6.06 -1.26 -5.05 118.95 120.06 1pmx s ARG 37 Ca -0.25 0.61 -0.19 0.00 -2.50 0.00 0.00 55.73 53.40 1pmx s ARG 37 Cb 0.03 -3.31 0.08 0.00 0.06 0.00 0.00 34.95 31.81 1pmx s ARG 37 CO 0.64 0.47 0.69 0.00 -2.50 0.00 0.00 175.30 174.60 1pmx s ALA 38 N -0.46 3.37 1.00 6.12 0.00 -1.26 -5.06 121.76 125.48 1pmx s ALA 38 Ca 0.28 -1.95 -0.13 0.00 0.00 0.00 0.00 51.96 50.15 1pmx s ALA 38 Cb -0.18 -3.47 0.19 0.00 0.00 0.00 0.00 23.12 19.66 1pmx s ALA 38 CO 0.15 -2.22 1.11 -1.25 0.00 0.00 0.00 175.76 173.55 1pmx s PRO 39 N 2.79 0.42 -0.66 0.00 0.04 -1.26 -5.01 135.00 131.32 1pmx s PRO 39 Ca 0.14 0.35 -0.06 0.00 0.04 0.00 0.00 61.00 61.47 1pmx s PRO 39 Cb -0.21 -1.75 0.17 0.00 0.04 0.00 0.00 34.50 32.75 1pmx s PRO 39 CO 0.09 -2.70 0.51 -0.65 0.04 0.00 0.00 177.00 174.30 1pmx s GLN 40 N -5.12 2.81 0.07 4.56 -1.52 -1.26 -5.04 119.66 114.16 1pmx s GLN 40 Ca 0.66 -2.42 -0.14 0.00 -1.95 0.00 0.00 55.36 51.51 1pmx s GLN 40 Cb -0.16 -3.93 0.02 0.00 -0.22 0.00 0.00 33.01 28.72 1pmx s GLN 40 CO 0.56 -1.20 0.33 0.95 -0.25 0.00 0.00 175.29 175.68 1pmx s THR 41 N 0.17 0.08 0.00 -0.19 -4.23 -1.26 -4.93 115.64 105.28 1pmx s THR 41 Ca 0.16 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 59.98 1pmx s THR 41 Cb -0.18 -1.05 0.00 0.00 1.34 0.00 0.00 72.50 72.61 1pmx s THR 41 CO -0.05 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.27 1pmx n GLY 42 N 0.29 -1.50 0.11 3.99 0.00 -1.26 -4.46 105.19 102.35 1pmx n GLY 42 Ca -0.17 0.59 -0.16 0.00 0.00 0.00 0.00 46.02 46.27 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 1.12 -0.13 -0.61 6.09 -1.91 -3.10 117.51 118.97 1pmx h ILE 43 Ca 0.00 -2.78 0.00 0.00 -1.37 0.00 0.00 64.86 60.71 1pmx h ILE 43 Cb 0.00 2.72 -0.01 0.00 0.47 0.00 0.00 36.82 40.01 1pmx h ILE 43 CO 0.00 0.80 0.09 0.58 -3.07 0.00 0.00 178.15 176.55 1pmx h VAL 44 N 0.06 1.04 0.00 2.19 2.07 -1.92 0.83 116.25 120.52 1pmx h VAL 44 Ca -0.25 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 1pmx h VAL 44 Cb 2.01 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 1pmx h VAL 44 CO 0.15 0.03 -0.34 0.44 0.02 0.00 0.00 177.57 177.87 1pmx h ASP 45 N 0.17 0.00 0.67 0.57 5.19 -1.92 0.83 116.42 121.92 1pmx h ASP 45 Ca 0.05 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.28 1pmx h ASP 45 Cb -0.02 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.46 1pmx h ASP 45 CO -0.01 0.34 -1.46 1.21 -3.12 0.00 0.00 179.24 176.20 1pmx n GLU 46 N -3.50 0.62 -0.08 3.56 4.07 -1.00 -2.66 120.64 121.66 1pmx n GLU 46 Ca -0.00 0.23 -0.12 0.00 -0.06 0.00 0.00 57.16 57.20 1pmx n GLU 46 Cb 0.49 -1.80 -0.08 0.00 -0.06 0.00 0.00 31.44 30.00 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 -1.00 0.89 -3.03 0.00 -1.00 -1.41 -3.45 116.94 107.95 1pmx h PHE 49 Ca -0.01 -0.12 -0.45 0.00 2.81 0.00 0.00 57.97 60.20 1pmx h PHE 49 Cb 0.24 -0.25 -0.15 0.00 3.61 0.00 0.00 35.95 39.40 1pmx h PHE 49 CO 0.04 0.81 -0.74 1.03 -1.61 0.00 0.00 178.31 177.84 1pmx s ARG 50 N -5.03 1.28 -0.40 1.51 0.52 -1.09 -5.01 118.95 110.73 1pmx s ARG 50 Ca -0.10 -1.53 -0.27 0.00 -0.52 0.00 0.00 55.73 53.31 1pmx s ARG 50 Cb 0.15 -1.10 0.02 0.00 0.52 0.00 0.00 34.95 34.54 1pmx s ARG 50 CO 0.82 0.19 1.02 -1.54 0.02 0.00 0.00 175.30 175.80 1pmx s SER 51 N -3.14 6.70 0.15 0.23 1.04 -1.25 -2.85 113.70 114.57 1pmx s SER 51 Ca 0.20 0.60 0.02 0.00 0.48 0.00 0.00 55.95 57.25 1pmx s SER 51 Cb -0.02 -2.50 0.02 0.00 0.10 0.00 0.00 66.02 63.62 1pmx s SER 51 CO 0.06 -0.99 0.16 0.00 0.98 0.00 0.00 173.24 173.45 1pmx s ASP 53 N -1.70 2.49 0.55 0.00 -4.77 -1.26 -4.98 116.67 106.99 1pmx s ASP 53 Ca 0.12 -0.61 0.26 0.00 -3.30 0.00 0.00 52.55 49.02 1pmx s ASP 53 Cb -0.01 -0.17 1.45 0.00 -1.09 0.00 0.00 42.92 43.10 1pmx s ASP 53 CO 0.08 0.10 2.02 -0.07 0.70 0.00 0.00 175.17 178.00 1pmx h LEU 54 N 4.45 0.00 -2.17 2.11 4.07 -2.02 -0.14 115.31 121.62 1pmx h LEU 54 Ca -0.44 0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.53 1pmx h LEU 54 Cb 1.17 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.91 1pmx h LEU 54 CO 0.42 0.00 0.03 0.03 -1.08 0.00 0.00 178.44 177.83 1pmx h ARG 55 N 0.00 0.00 -0.13 1.13 3.08 -2.03 -1.20 114.38 115.23 1pmx h ARG 55 Ca 0.19 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.17 1pmx h ARG 55 Cb 0.84 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 1pmx h ARG 55 CO -0.00 0.00 -0.26 0.00 -1.07 0.00 0.00 179.97 178.64 1pmx h ARG 56 N 0.00 0.24 -0.42 0.04 2.47 -1.43 -2.79 114.38 112.47 1pmx h ARG 56 Ca 0.01 -0.08 0.12 0.00 -1.26 0.00 0.00 59.98 58.78 1pmx h ARG 56 Cb 0.07 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.35 1pmx h ARG 56 CO -0.00 0.48 0.34 -0.07 0.56 0.00 0.00 179.97 181.28 1pmx h LEU 57 N 0.21 0.00 -0.54 3.04 3.38 -1.34 -0.54 115.31 119.52 1pmx h LEU 57 Ca 0.03 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 1pmx h LEU 57 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1pmx h LEU 57 CO 0.04 0.00 -0.54 -0.33 0.09 0.00 0.00 178.44 177.70 1pmx h GLU 58 N 0.00 0.53 -0.75 1.13 5.08 -1.63 -3.10 114.58 115.85 1pmx h GLU 58 Ca 0.20 -0.33 0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1pmx h GLU 58 Cb 0.87 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.12 1pmx h GLU 58 CO -0.00 0.94 0.49 0.52 -1.00 0.00 0.00 179.01 179.96 1pmx h MET 59 N 0.41 0.90 0.00 2.33 2.86 -1.22 -1.69 114.93 118.52 1pmx h MET 59 Ca 0.01 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.47 1pmx h MET 59 Cb 1.08 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.52 1pmx h MET 59 CO 0.10 0.60 -0.57 1.88 1.06 0.00 0.00 176.91 179.98 1pmx h TYR 60 N 0.93 0.00 -2.72 -0.22 -1.99 -1.54 -3.44 116.97 107.99 1pmx h TYR 60 Ca 0.29 0.00 -0.52 0.00 2.00 0.00 0.00 58.73 60.50 1pmx h TYR 60 Cb 0.02 0.00 0.04 0.00 2.00 0.00 0.00 36.73 38.80 1pmx h TYR 60 CO -0.00 0.57 0.96 0.00 -0.00 0.00 0.00 178.16 179.69 1pmx s ALA 62 N 1.52 -0.56 -0.23 0.00 0.00 -1.03 -4.97 121.76 116.49 1pmx s ALA 62 Ca 0.73 -0.29 0.21 0.00 0.00 0.00 0.00 51.96 52.61 1pmx s ALA 62 Cb -0.45 -3.18 0.01 0.00 0.00 0.00 0.00 23.12 19.50 1pmx s ALA 62 CO 0.32 -3.99 1.09 -1.00 0.00 0.00 0.00 175.76 172.19 1pmx h PRO 63 N -2.76 0.00 -6.87 0.00 0.13 -1.94 -3.47 132.00 117.09 1pmx h PRO 63 Ca -0.60 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 63.98 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 0.48 0.10 -0.07 1.47 -0.23 0.00 0.00 178.00 179.75 1pmx n LEU 64 N -2.82 2.53 -3.91 1.56 -0.00 -1.26 -5.04 117.00 108.05 1pmx n LEU 64 Ca -0.02 0.62 -0.09 0.00 -0.00 0.00 0.00 56.01 56.53 1pmx n LEU 64 Cb 0.63 -1.34 -0.08 0.00 -0.00 0.00 0.00 43.42 42.62 1pmx n LEU 64 CO 0.40 -2.43 -0.17 -0.54 -0.00 0.00 0.00 177.39 174.65 1pmx s LYS 65 N -3.22 0.73 0.00 1.47 1.02 -1.26 -4.62 119.74 113.85 1pmx s LYS 65 Ca 0.70 -0.92 0.00 0.00 0.02 0.00 0.00 55.97 55.77 1pmx s LYS 65 Cb -0.34 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.26 1pmx s LYS 65 CO 0.54 -0.20 0.00 -0.35 -0.92 0.00 0.00 175.35 174.41 1pmx n PRO 66 N 0.24 -0.84 0.00 -1.68 -0.04 -1.26 -5.04 135.00 126.38 1pmx n PRO 66 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1pmx n PRO 66 Cb 0.61 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.07 1pmx n PRO 66 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pmx n ALA 67 N -3.00 0.00 -3.48 0.55 0.00 -1.26 -4.96 120.51 108.37 1pmx n ALA 67 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 53.44 53.26 1pmx n ALA 67 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1pmx n ALA 67 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1pmx s LYS 68 N -0.39 0.21 -0.10 0.00 2.36 -1.26 -4.98 119.74 115.58 1pmx s LYS 68 Ca 0.00 0.22 0.04 0.00 -2.55 0.00 0.00 55.97 53.67 1pmx s LYS 68 Cb 0.00 -1.12 0.12 0.00 -1.05 0.00 0.00 37.83 35.78 1pmx s LYS 68 CO 0.00 -0.67 1.04 0.43 1.55 0.00 0.00 175.35 177.69 1pmx n SER 69 N 5.32 -0.98 0.00 1.43 7.64 -1.26 -5.34 113.62 120.43 1pmx n SER 69 Ca -0.05 -1.81 0.00 0.00 1.01 0.00 0.00 58.87 58.02 1pmx n SER 69 Cb 0.49 0.37 0.00 0.00 -1.01 0.00 0.00 64.21 64.06 1pmx n SER 69 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03