#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 4.28 -0.35 1.61 0.04 -1.26 -5.00 135.00 134.32 1pmx s PRO 2 Ca 0.00 1.67 0.01 0.00 0.04 0.00 0.00 61.00 62.72 1pmx s PRO 2 Cb 0.00 -3.68 0.11 0.00 0.04 0.00 0.00 34.50 30.97 1pmx s PRO 2 CO 0.00 -0.60 0.12 -1.21 0.04 0.00 0.00 177.00 175.34 1pmx s GLU 3 N 2.99 1.11 0.40 4.56 8.01 -1.26 -5.11 118.70 129.40 1pmx s GLU 3 Ca 0.55 -1.57 0.06 0.00 0.01 0.00 0.00 54.97 54.02 1pmx s GLU 3 Cb -0.23 -2.48 -0.07 0.00 -4.31 0.00 0.00 34.13 27.04 1pmx s GLU 3 CO 0.17 -1.01 0.02 0.95 0.01 0.00 0.00 175.26 175.41 1pmx s THR 4 N 1.07 1.70 -0.19 3.63 -4.23 -1.26 -4.46 115.64 111.89 1pmx s THR 4 Ca 0.12 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.63 1pmx s THR 4 Cb -0.20 -2.85 0.05 0.00 1.34 0.00 0.00 72.50 70.84 1pmx s THR 4 CO -0.14 0.00 -0.04 -0.22 -0.54 0.00 0.00 174.62 173.67 1pmx s LEU 5 N -3.67 1.83 0.11 4.79 2.96 -1.21 -5.01 118.68 118.47 1pmx s LEU 5 Ca 0.32 -0.82 -0.01 0.00 -0.22 0.00 0.00 54.13 53.40 1pmx s LEU 5 Cb 0.09 -0.96 -0.04 0.00 0.50 0.00 0.00 46.19 45.78 1pmx s LEU 5 CO 0.16 -0.21 0.04 0.00 -1.32 0.00 0.00 176.35 175.02 1pmx n GLY 7 N -0.05 2.94 0.35 0.00 0.00 -1.26 -2.07 105.19 105.11 1pmx n GLY 7 Ca -0.07 -0.29 0.11 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.88 1.97 -0.93 4.61 0.00 -1.98 -1.46 119.26 120.59 1pmx h ALA 8 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1pmx h ALA 8 Cb 0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 1pmx h ALA 8 CO 0.00 -0.10 0.60 0.93 0.00 0.00 0.00 179.25 180.69 1pmx h GLU 9 N 0.44 1.08 -0.23 0.00 5.08 -1.81 0.79 114.58 119.94 1pmx h GLU 9 Ca 0.27 -0.06 -0.21 0.00 -1.00 0.00 0.00 59.36 58.36 1pmx h GLU 9 Cb 0.48 -0.24 0.01 0.00 0.50 0.00 0.00 28.75 29.49 1pmx h GLU 9 CO -0.08 0.71 -0.66 1.25 -1.00 0.00 0.00 179.01 179.23 1pmx h LEU 10 N 1.11 0.97 -0.56 1.33 5.85 -1.26 -2.75 115.31 119.99 1pmx h LEU 10 Ca 0.38 -0.57 -0.16 0.00 0.84 0.00 0.00 57.88 58.37 1pmx h LEU 10 Cb 0.11 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1pmx h LEU 10 CO -0.13 1.38 -0.66 0.58 -0.34 0.00 0.00 178.44 179.27 1pmx h VAL 11 N 0.61 1.40 0.01 1.05 2.07 -1.07 -2.78 116.25 117.55 1pmx h VAL 11 Ca -0.02 -2.09 -0.00 0.00 0.82 0.00 0.00 66.70 65.41 1pmx h VAL 11 Cb 1.28 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 1pmx h VAL 11 CO 0.14 0.62 -0.01 -0.78 0.02 0.00 0.00 177.57 177.56 1pmx h ASP 12 N 0.19 -0.01 0.06 0.57 3.58 0.61 0.92 116.42 122.33 1pmx h ASP 12 Ca -0.01 -0.18 -0.00 0.00 0.42 0.00 0.00 57.03 57.25 1pmx h ASP 12 Cb 1.19 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.24 1pmx h ASP 12 CO 0.10 0.17 -0.04 0.00 -2.88 0.00 0.00 179.24 176.60 1pmx h ALA 13 N 0.79 -0.10 -0.77 -0.78 0.00 -1.52 0.79 119.26 117.67 1pmx h ALA 13 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pmx h ALA 13 Cb 0.19 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1pmx h ALA 13 CO 0.00 -0.56 0.50 -0.07 0.00 0.00 0.00 179.25 179.12 1pmx h LEU 14 N -0.10 0.90 -0.72 0.00 3.38 -1.47 0.63 115.31 117.92 1pmx h LEU 14 Ca -0.00 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 1pmx h LEU 14 Cb 0.09 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1pmx h LEU 14 CO 0.00 0.67 -0.60 1.56 0.09 0.00 0.00 178.44 180.16 1pmx h GLN 15 N 1.05 0.16 0.02 1.13 1.08 -0.53 0.52 115.11 118.54 1pmx h GLN 15 Ca 0.28 -0.11 -0.20 0.00 -1.45 0.00 0.00 58.65 57.17 1pmx h GLN 15 Cb -0.10 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 1pmx h GLN 15 CO -0.06 0.70 -0.95 0.35 -0.95 0.00 0.00 178.83 177.92 1pmx h PHE 16 N 0.12 0.13 0.00 2.96 3.57 0.13 -1.79 116.94 122.06 1pmx h PHE 16 Ca -0.01 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1pmx h PHE 16 Cb 1.08 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.81 1pmx h PHE 16 CO 0.01 0.98 -0.45 0.28 -2.23 0.00 0.00 178.31 176.90 1pmx h VAL 17 N 0.03 0.00 0.01 1.41 2.07 0.34 -3.43 116.25 116.69 1pmx h VAL 17 Ca -0.03 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.49 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 0.13 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.72 1pmx n GLY 19 N 1.44 1.23 0.23 0.00 0.00 -0.67 -2.42 105.19 105.00 1pmx n GLY 19 Ca -0.08 0.24 0.13 0.00 0.00 0.00 0.00 46.02 46.30 1pmx n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pmx n ASP 20 N 8.86 0.97 -0.28 1.61 8.00 -1.26 -4.20 116.55 130.25 1pmx n ASP 20 Ca 0.00 -0.84 -0.03 0.00 0.71 0.00 0.00 54.79 54.63 1pmx n ASP 20 Cb 0.00 0.13 0.08 0.00 -0.02 0.00 0.00 41.12 41.31 1pmx n ASP 20 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1pmx h ARG 21 N 1.10 0.96 0.00 -1.24 3.08 -1.78 -3.46 114.38 113.05 1pmx h ARG 21 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1pmx h ARG 21 Cb 0.50 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1pmx h ARG 21 CO 0.00 0.63 0.00 0.41 -1.07 0.00 0.00 179.97 179.94 1pmx n GLY 22 N -1.31 0.85 3.66 0.04 0.00 -1.26 -4.24 105.19 102.93 1pmx n GLY 22 Ca 0.08 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 1pmx n GLY 22 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1pmx n PHE 23 N 0.00 0.94 -3.94 1.61 1.16 -1.26 -4.21 117.46 111.76 1pmx n PHE 23 Ca 0.00 0.39 -0.29 0.00 -1.87 0.00 0.00 57.45 55.69 1pmx n PHE 23 Cb 0.00 -2.07 -0.16 0.00 -1.61 0.00 0.00 39.48 35.64 1pmx n PHE 23 CO 0.00 0.00 0.00 1.52 -1.87 0.00 0.00 176.76 176.41 1pmx s TYR 24 N -2.17 1.87 0.23 2.97 -0.85 -1.22 -4.99 117.35 113.19 1pmx s TYR 24 Ca 0.71 -1.13 -0.07 0.00 -0.52 0.00 0.00 57.07 56.06 1pmx s TYR 24 Cb -0.29 -1.41 0.28 0.00 0.38 0.00 0.00 41.96 40.92 1pmx s TYR 24 CO 0.53 -0.63 1.85 0.74 -1.52 0.00 0.00 175.55 176.52 1pmx h PHE 25 N 8.09 0.92 -3.73 -3.49 0.04 -1.95 -3.42 116.94 113.40 1pmx h PHE 25 Ca -0.29 0.03 -0.49 0.00 2.80 0.00 0.00 57.97 60.02 1pmx h PHE 25 Cb 1.12 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.95 1pmx h PHE 25 CO 0.47 0.49 0.27 -0.80 -0.60 0.00 0.00 178.31 178.14 1pmx s ASN 26 N -5.76 7.37 -0.23 2.17 -0.87 -1.26 -2.68 114.94 113.68 1pmx s ASN 26 Ca -0.13 1.75 -0.03 0.00 -1.57 0.00 0.00 52.86 52.89 1pmx s ASN 26 Cb 0.17 -2.54 0.07 0.00 -0.02 0.00 0.00 41.25 38.93 1pmx s ASN 26 CO 0.78 0.06 0.06 -0.75 -2.57 0.00 0.00 177.10 174.68 1pmx s LYS 27 N -1.66 0.61 0.69 -0.60 2.20 -1.26 -5.01 119.74 114.70 1pmx s LYS 27 Ca 0.44 -0.56 -0.14 0.00 -0.36 0.00 0.00 55.97 55.35 1pmx s LYS 27 Cb -0.21 -1.99 0.01 0.00 -1.51 0.00 0.00 37.83 34.14 1pmx s LYS 27 CO 0.26 -0.75 1.10 -1.25 -0.36 0.00 0.00 175.35 174.34 1pmx s PRO 28 N 1.84 2.70 -0.10 4.03 0.04 -1.26 -4.97 135.00 137.28 1pmx s PRO 28 Ca 0.02 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.36 1pmx s PRO 28 Cb -0.17 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 1pmx s PRO 28 CO -0.14 -1.31 -0.10 0.95 0.04 0.00 0.00 177.00 176.43 1pmx s THR 29 N -2.54 3.41 -0.02 1.26 -4.23 -1.26 -5.03 115.64 107.24 1pmx s THR 29 Ca 0.65 -0.56 -0.20 0.00 -1.18 0.00 0.00 61.69 60.40 1pmx s THR 29 Cb -0.19 -2.42 -0.31 0.00 1.34 0.00 0.00 72.50 70.92 1pmx s THR 29 CO 0.46 0.55 0.96 1.23 -0.54 0.00 0.00 174.62 177.28 1pmx h GLY 30 N 5.98 0.45 -2.35 3.99 0.00 -2.07 -3.46 103.07 105.61 1pmx h GLY 30 Ca -0.38 -1.06 -0.51 0.00 0.00 0.00 0.00 47.33 45.38 1pmx h GLY 30 CO 0.55 0.93 0.47 -0.19 0.00 0.00 0.00 176.54 178.30 1pmx s TYR 31 N -2.61 2.66 -0.39 5.60 1.51 -1.26 -4.97 117.35 117.89 1pmx s TYR 31 Ca -0.12 1.52 -0.27 0.00 -1.01 0.00 0.00 57.07 57.19 1pmx s TYR 31 Cb 0.02 -3.39 0.02 0.00 -0.11 0.00 0.00 41.96 38.50 1pmx s TYR 31 CO 0.86 -1.76 0.99 0.20 -1.11 0.00 0.00 175.55 174.73 1pmx s GLY 32 N -1.55 1.51 -0.16 0.71 0.00 -1.26 -4.87 107.32 101.70 1pmx s GLY 32 Ca 0.70 -0.43 0.20 0.00 0.00 0.00 0.00 44.72 45.19 1pmx s GLY 32 CO 0.32 2.13 1.16 -1.14 0.00 0.00 0.00 173.10 175.57 1pmx n SER 33 N 7.02 1.88 -2.25 1.64 3.41 -1.26 -4.85 113.62 119.21 1pmx n SER 33 Ca 0.09 -2.58 -0.29 0.00 -0.26 0.00 0.00 58.87 55.82 1pmx n SER 33 Cb 0.48 -0.40 0.12 0.00 -0.26 0.00 0.00 64.21 64.14 1pmx n SER 33 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1pmx n SER 34 N -0.30 6.05 -0.10 4.04 3.41 -1.26 -4.45 113.62 121.00 1pmx n SER 34 Ca 0.14 -3.66 -0.20 0.00 -0.26 0.00 0.00 58.87 54.89 1pmx n SER 34 Cb 0.93 -0.92 -0.10 0.00 -0.26 0.00 0.00 64.21 63.87 1pmx n SER 34 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1pmx n SER 35 N -0.93 1.86 -0.02 4.04 7.64 -1.26 -4.79 113.62 120.17 1pmx n SER 35 Ca 0.59 0.44 -0.01 0.00 1.01 0.00 0.00 58.87 60.91 1pmx n SER 35 Cb 1.05 -0.93 -0.00 0.00 -1.01 0.00 0.00 64.21 63.32 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 -1.26 1.43 2.43 -2.01 -3.51 114.38 110.46 1pmx h ARG 36 Ca -0.33 0.00 0.25 0.00 -0.81 0.00 0.00 59.98 59.09 1pmx h ARG 36 Cb 1.21 0.00 -0.22 0.00 -0.42 0.00 0.00 29.97 30.54 1pmx h ARG 36 CO -0.20 0.00 0.87 0.50 -1.51 0.00 0.00 179.97 179.63 1pmx s ARG 37 N -1.27 0.20 -0.31 0.20 6.06 -1.26 -5.15 118.95 117.41 1pmx s ARG 37 Ca -0.03 -0.03 -0.10 0.00 -2.50 0.00 0.00 55.73 53.08 1pmx s ARG 37 Cb 0.00 0.09 0.19 0.00 0.06 0.00 0.00 34.95 35.29 1pmx s ARG 37 CO 0.04 -0.08 1.03 0.00 -2.50 0.00 0.00 175.30 173.80 1pmx s ALA 38 N -1.76 -4.17 1.18 6.12 0.00 -1.26 -4.92 121.76 116.94 1pmx s ALA 38 Ca 0.09 1.28 -0.18 0.00 0.00 0.00 0.00 51.96 53.15 1pmx s ALA 38 Cb -0.01 -2.92 0.26 0.00 0.00 0.00 0.00 23.12 20.45 1pmx s ALA 38 CO -0.05 -2.29 1.04 -0.35 0.00 0.00 0.00 175.76 174.12 1pmx n PRO 39 N 4.41 -2.55 -2.86 0.00 -0.04 -1.26 -4.97 135.00 127.73 1pmx n PRO 39 Ca 0.08 -1.66 -0.43 0.00 -0.04 0.00 0.00 63.50 61.45 1pmx n PRO 39 Cb 0.60 -1.43 -0.04 0.00 -0.04 0.00 0.00 33.50 32.59 1pmx n PRO 39 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1pmx s GLN 40 N -5.35 3.37 0.25 0.54 0.00 -1.26 -5.00 119.66 112.21 1pmx s GLN 40 Ca 0.66 -0.19 -0.01 0.00 -0.00 0.00 0.00 55.36 55.82 1pmx s GLN 40 Cb -0.05 -4.02 -0.03 0.00 0.00 0.00 0.00 33.01 28.91 1pmx s GLN 40 CO 0.49 -1.38 0.24 0.95 0.00 0.00 0.00 175.29 175.59 1pmx s THR 41 N 3.78 0.00 0.00 3.63 -4.23 -1.26 -5.13 115.64 112.43 1pmx s THR 41 Ca 0.31 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.92 1pmx s THR 41 Cb -0.12 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.24 1pmx s THR 41 CO 0.21 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.90 1pmx n GLY 42 N -0.39 4.16 0.16 3.99 0.00 -1.26 -4.32 105.19 107.53 1pmx n GLY 42 Ca 0.03 -0.43 0.05 0.00 0.00 0.00 0.00 46.02 45.66 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 0.71 0.27 -0.61 2.10 -1.86 -3.27 117.51 114.85 1pmx h ILE 43 Ca 0.00 -1.88 0.00 0.00 1.08 0.00 0.00 64.86 64.06 1pmx h ILE 43 Cb 0.00 2.26 -0.02 0.00 -1.09 0.00 0.00 36.82 37.97 1pmx h ILE 43 CO 0.00 0.39 -0.30 0.58 -1.08 0.00 0.00 178.15 177.74 1pmx h VAL 44 N 0.00 0.38 0.00 2.19 2.07 -1.93 0.79 116.25 119.74 1pmx h VAL 44 Ca -0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1pmx h VAL 44 Cb 1.23 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1pmx h VAL 44 CO 0.05 0.00 -0.08 0.44 0.02 0.00 0.00 177.57 178.00 1pmx h ASP 45 N -0.60 0.00 0.72 0.57 5.19 -1.96 0.86 116.42 121.19 1pmx h ASP 45 Ca -0.01 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.25 1pmx h ASP 45 Cb 0.57 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.05 1pmx h ASP 45 CO -0.08 0.08 -1.39 1.21 -3.12 0.00 0.00 179.24 175.94 1pmx n GLU 46 N -3.25 0.62 -0.04 3.56 4.07 -0.84 -3.64 120.64 121.13 1pmx n GLU 46 Ca -0.00 0.20 -0.07 0.00 -0.06 0.00 0.00 57.16 57.24 1pmx n GLU 46 Cb 0.31 -1.80 -0.03 0.00 -0.06 0.00 0.00 31.44 29.86 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 -0.90 0.46 -3.80 0.00 -1.00 -1.41 -3.44 116.94 106.85 1pmx h PHE 49 Ca -0.02 -0.04 -0.16 0.00 2.81 0.00 0.00 57.97 60.56 1pmx h PHE 49 Cb 0.50 -0.14 -0.20 0.00 3.61 0.00 0.00 35.95 39.72 1pmx h PHE 49 CO 0.08 0.48 -0.61 -0.98 -1.61 0.00 0.00 178.31 175.67 1pmx s ARG 50 N -4.94 0.41 0.31 1.51 1.70 -1.24 -5.04 118.95 111.66 1pmx s ARG 50 Ca -0.07 -0.56 -0.29 0.00 -0.47 0.00 0.00 55.73 54.33 1pmx s ARG 50 Cb 0.16 0.16 -0.11 0.00 -0.57 0.00 0.00 34.95 34.59 1pmx s ARG 50 CO 0.75 -0.08 1.47 -1.54 -1.08 0.00 0.00 175.30 174.82 1pmx s SER 51 N -1.53 6.51 0.39 -2.89 1.04 -1.25 -2.94 113.70 113.01 1pmx s SER 51 Ca -0.14 2.86 0.03 0.00 0.48 0.00 0.00 55.95 59.19 1pmx s SER 51 Cb -0.08 -2.64 -0.04 0.00 0.10 0.00 0.00 66.02 63.36 1pmx s SER 51 CO -0.01 -0.78 0.09 0.00 0.98 0.00 0.00 173.24 173.52 1pmx s ASP 53 N -3.59 6.18 0.59 0.00 -4.77 -1.26 -4.97 116.67 108.85 1pmx s ASP 53 Ca 0.26 0.20 0.29 0.00 -3.30 0.00 0.00 52.55 50.00 1pmx s ASP 53 Cb 0.05 -2.10 1.55 0.00 -1.09 0.00 0.00 42.92 41.32 1pmx s ASP 53 CO 0.14 0.13 1.98 -0.07 0.70 0.00 0.00 175.17 178.05 1pmx h LEU 54 N 7.00 0.00 -2.00 2.11 3.38 -2.02 -0.04 115.31 123.75 1pmx h LEU 54 Ca -0.40 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.59 1pmx h LEU 54 Cb 1.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1pmx h LEU 54 CO 0.72 0.00 0.03 0.03 0.09 0.00 0.00 178.44 179.31 1pmx h ARG 55 N 0.00 0.00 0.00 1.13 3.08 -2.04 -0.84 114.38 115.71 1pmx h ARG 55 Ca 0.16 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.17 1pmx h ARG 55 Cb 0.89 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 1pmx h ARG 55 CO -0.00 0.00 -0.20 0.00 -1.07 0.00 0.00 179.97 178.70 1pmx h ARG 56 N 0.00 0.00 -0.41 0.04 2.47 -1.41 -2.75 114.38 112.32 1pmx h ARG 56 Ca 0.02 0.00 0.10 0.00 -1.26 0.00 0.00 59.98 58.84 1pmx h ARG 56 Cb 0.09 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.39 1pmx h ARG 56 CO -0.00 0.20 0.29 -0.07 0.56 0.00 0.00 179.97 180.95 1pmx h LEU 57 N 0.00 0.10 -1.60 3.04 3.38 -1.29 -0.51 115.31 118.42 1pmx h LEU 57 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1pmx h LEU 57 Cb 0.46 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1pmx h LEU 57 CO 0.03 0.06 -0.21 -0.33 0.09 0.00 0.00 178.44 178.08 1pmx h GLU 58 N 0.11 0.00 0.14 1.13 5.08 -1.63 -3.14 114.58 116.26 1pmx h GLU 58 Ca 0.19 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1pmx h GLU 58 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1pmx h GLU 58 CO -0.02 0.21 -0.07 0.52 -1.00 0.00 0.00 179.01 178.65 1pmx h MET 59 N 0.00 -0.18 -0.30 2.33 2.86 -1.26 -3.08 114.93 115.30 1pmx h MET 59 Ca -0.00 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.74 1pmx h MET 59 Cb 0.47 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 1pmx h MET 59 CO 0.03 0.17 0.34 1.88 1.06 0.00 0.00 176.91 180.39 1pmx h TYR 60 N -0.57 0.00 -2.86 -0.22 0.05 -1.61 -3.42 116.97 108.35 1pmx h TYR 60 Ca -0.02 0.00 -0.52 0.00 0.05 0.00 0.00 58.73 58.24 1pmx h TYR 60 Cb 0.44 0.00 0.06 0.00 1.01 0.00 0.00 36.73 38.24 1pmx h TYR 60 CO 0.04 0.00 0.94 0.00 -1.05 0.00 0.00 178.16 178.09 1pmx n ALA 62 N 3.60 -3.30 0.08 0.00 0.00 -1.26 -4.94 120.51 114.68 1pmx n ALA 62 Ca 0.14 -1.26 -0.10 0.00 0.00 0.00 0.00 53.44 52.22 1pmx n ALA 62 Cb 0.37 -1.90 -0.03 0.00 0.00 0.00 0.00 19.45 17.88 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 -2.67 0.22 -6.97 0.00 0.13 -1.93 -3.46 132.00 117.32 1pmx h PRO 63 Ca -0.62 -0.26 -0.38 0.00 -0.87 0.00 0.00 66.00 63.88 1pmx h PRO 63 Cb 1.34 0.08 0.22 0.00 0.13 0.00 0.00 31.00 32.77 1pmx h PRO 63 CO 0.48 1.00 -0.17 -0.48 -0.23 0.00 0.00 178.00 178.61 1pmx s LEU 64 N -7.39 -1.50 0.06 1.56 2.34 -1.26 -5.07 118.68 107.41 1pmx s LEU 64 Ca -0.03 0.88 -0.04 0.00 0.06 0.00 0.00 54.13 55.00 1pmx s LEU 64 Cb 0.10 -2.24 -0.03 0.00 -0.56 0.00 0.00 46.19 43.46 1pmx s LEU 64 CO 0.84 -5.63 0.04 -0.54 -1.06 0.00 0.00 176.35 170.00 1pmx s LYS 65 N -5.04 0.67 0.00 1.48 1.02 -1.26 -4.77 119.74 111.84 1pmx s LYS 65 Ca 0.68 -1.10 0.00 0.00 0.02 0.00 0.00 55.97 55.58 1pmx s LYS 65 Cb -0.13 0.25 0.00 0.00 -0.52 0.00 0.00 37.83 37.43 1pmx s LYS 65 CO 0.58 -0.16 0.00 -0.35 -0.92 0.00 0.00 175.35 174.50 1pmx n PRO 66 N 0.14 -0.93 0.14 -1.68 -0.04 -1.26 -4.92 135.00 126.45 1pmx n PRO 66 Ca -0.15 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.17 1pmx n PRO 66 Cb 0.61 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 34.00 1pmx n PRO 66 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pmx h ALA 67 N -2.00 -0.30 -3.16 0.55 0.00 -2.02 -3.44 119.26 108.88 1pmx h ALA 67 Ca 0.00 -0.06 -0.27 0.00 0.00 0.00 0.00 54.91 54.58 1pmx h ALA 67 Cb 0.00 0.13 -0.21 0.00 0.00 0.00 0.00 17.79 17.71 1pmx h ALA 67 CO 0.00 -0.67 -0.73 0.15 0.00 0.00 0.00 179.25 178.00 1pmx s LYS 68 N -6.14 0.51 -0.17 0.00 1.02 -1.26 -5.14 119.74 108.55 1pmx s LYS 68 Ca -0.15 -0.74 -0.11 0.00 0.02 0.00 0.00 55.97 55.00 1pmx s LYS 68 Cb 0.05 -0.26 -0.05 0.00 -0.52 0.00 0.00 37.83 37.05 1pmx s LYS 68 CO 0.65 0.04 0.19 -1.12 -0.92 0.00 0.00 175.35 174.19 1pmx s SER 69 N -1.55 6.32 0.00 2.83 0.01 -1.26 -5.18 113.70 114.88 1pmx s SER 69 Ca -0.10 0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.53 1pmx s SER 69 Cb -0.10 -2.12 0.00 0.00 0.21 0.00 0.00 66.02 64.01 1pmx s SER 69 CO 0.00 0.19 0.00 0.00 0.41 0.00 0.00 173.24 173.84