#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 4.27 -0.44 1.61 0.04 -1.26 -5.00 135.00 134.22 1pmx s PRO 2 Ca 0.00 1.63 -0.14 0.00 0.04 0.00 0.00 61.00 62.53 1pmx s PRO 2 Cb 0.00 -3.70 0.05 0.00 0.04 0.00 0.00 34.50 30.89 1pmx s PRO 2 CO 0.00 -0.63 0.33 -1.21 0.04 0.00 0.00 177.00 175.53 1pmx s GLU 3 N 3.15 2.91 0.36 4.56 8.01 -1.26 -5.05 118.70 131.38 1pmx s GLU 3 Ca 0.54 -1.25 0.04 0.00 0.01 0.00 0.00 54.97 54.31 1pmx s GLU 3 Cb -0.22 -4.00 -0.03 0.00 -4.31 0.00 0.00 34.13 25.57 1pmx s GLU 3 CO 0.16 -0.91 0.16 0.95 0.01 0.00 0.00 175.26 175.63 1pmx s THR 4 N 1.61 0.42 -0.06 3.63 -4.23 -1.26 -4.52 115.64 111.24 1pmx s THR 4 Ca 0.04 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.52 1pmx s THR 4 Cb -0.22 -2.43 0.03 0.00 1.34 0.00 0.00 72.50 71.22 1pmx s THR 4 CO 0.07 0.00 0.07 -0.22 -0.54 0.00 0.00 174.62 174.00 1pmx s LEU 5 N -3.50 0.15 0.05 4.79 2.96 -1.10 -4.98 118.68 117.05 1pmx s LEU 5 Ca 0.31 0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 54.21 1pmx s LEU 5 Cb 0.03 -0.13 -0.04 0.00 0.50 0.00 0.00 46.19 46.56 1pmx s LEU 5 CO 0.18 -0.26 -0.02 0.00 -1.32 0.00 0.00 176.35 174.93 1pmx n GLY 7 N 0.17 0.37 0.33 0.00 0.00 -1.26 -3.20 105.19 101.60 1pmx n GLY 7 Ca -0.15 -0.85 0.16 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.49 2.17 -0.95 4.61 0.00 -1.99 -1.10 119.26 121.51 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 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1pmx h ALA 8 CO 0.00 -0.37 0.63 0.93 0.00 0.00 0.00 179.25 180.44 1pmx h GLU 9 N 0.00 1.26 -0.08 0.00 5.08 -1.95 0.81 114.58 119.70 1pmx h GLU 9 Ca 0.13 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1pmx h GLU 9 Cb 0.57 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1pmx h GLU 9 CO -0.00 0.84 -0.13 1.25 -1.00 0.00 0.00 179.01 179.96 1pmx h LEU 10 N 1.30 0.25 -1.29 1.33 5.85 -1.29 -2.59 115.31 118.86 1pmx h LEU 10 Ca 0.35 -0.55 -0.07 0.00 0.84 0.00 0.00 57.88 58.45 1pmx h LEU 10 Cb -0.14 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1pmx h LEU 10 CO -0.07 0.75 -0.24 0.58 -0.34 0.00 0.00 178.44 179.11 1pmx h VAL 11 N -0.24 1.22 -0.48 1.05 2.07 -1.22 -2.73 116.25 115.92 1pmx h VAL 11 Ca 0.00 -1.03 -0.07 0.00 0.82 0.00 0.00 66.70 66.43 1pmx h VAL 11 Cb 0.70 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1pmx h VAL 11 CO 0.03 0.31 0.04 0.44 0.02 0.00 0.00 177.57 178.41 1pmx h ASP 12 N 0.16 0.79 -0.30 0.57 3.32 0.68 -2.03 116.42 119.61 1pmx h ASP 12 Ca 0.03 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.78 1pmx h ASP 12 Cb 0.52 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1pmx h ASP 12 CO 0.04 0.88 0.15 0.00 -1.72 0.00 0.00 179.24 178.58 1pmx h ALA 13 N 0.94 0.39 -0.75 3.45 0.00 -1.19 0.12 119.26 122.22 1pmx h ALA 13 Ca 0.14 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1pmx h ALA 13 Cb 0.45 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1pmx h ALA 13 CO 0.02 -0.05 0.49 -0.07 0.00 0.00 0.00 179.25 179.64 1pmx h LEU 14 N 0.36 0.85 -0.79 0.00 3.38 -1.41 0.31 115.31 118.00 1pmx h LEU 14 Ca 0.10 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 1pmx h LEU 14 Cb 0.11 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1pmx h LEU 14 CO -0.01 0.61 -0.56 1.56 0.09 0.00 0.00 178.44 180.12 1pmx h GLN 15 N 1.00 0.12 0.01 1.13 1.08 -1.14 0.53 115.11 117.84 1pmx h GLN 15 Ca 0.28 -0.08 -0.20 0.00 -1.45 0.00 0.00 58.65 57.21 1pmx h GLN 15 Cb -0.09 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 1pmx h GLN 15 CO -0.07 0.65 -0.90 0.35 -0.95 0.00 0.00 178.83 177.91 1pmx h PHE 16 N 0.09 0.18 0.00 2.96 3.57 -0.04 -1.37 116.94 122.34 1pmx h PHE 16 Ca -0.00 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.37 1pmx h PHE 16 Cb 1.02 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.74 1pmx h PHE 16 CO 0.01 0.95 -0.57 0.28 -2.23 0.00 0.00 178.31 176.75 1pmx n VAL 17 N -3.59 1.43 -0.05 1.41 0.31 0.10 -4.67 118.33 113.27 1pmx n VAL 17 Ca -0.03 0.20 -0.12 0.00 -0.01 0.00 0.00 64.34 64.38 1pmx n VAL 17 Cb 0.83 -2.37 -0.11 0.00 -0.91 0.00 0.00 33.84 31.29 1pmx n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pmx n GLY 19 N 1.34 3.93 0.29 0.00 0.00 -0.51 -1.19 105.19 109.05 1pmx n GLY 19 Ca -0.08 0.14 0.15 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.33 1.61 5.19 -1.93 -2.42 116.42 118.54 1pmx h ASP 20 Ca 0.00 0.00 0.10 0.00 -0.62 0.00 0.00 57.03 56.51 1pmx h ASP 20 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1pmx h ASP 20 CO 0.00 0.03 0.30 0.03 -3.12 0.00 0.00 179.24 176.48 1pmx h ARG 21 N 0.00 0.00 -2.10 3.56 3.08 -1.46 -3.48 114.38 113.98 1pmx h ARG 21 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1pmx h ARG 21 Cb 0.08 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 1pmx h ARG 21 CO 0.00 0.00 -0.02 0.41 -1.07 0.00 0.00 179.97 179.29 1pmx n GLY 22 N -1.51 -2.87 3.92 0.04 0.00 -0.91 -3.69 105.19 100.17 1pmx n GLY 22 Ca 0.05 -0.56 -0.21 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.01 3.32 -0.05 1.61 -0.12 -1.26 -2.48 117.98 118.98 1pmx s PHE 23 Ca -0.00 -0.06 0.01 0.00 -0.05 0.00 0.00 56.93 56.82 1pmx s PHE 23 Cb 0.00 -1.54 0.02 0.00 -0.63 0.00 0.00 43.02 40.87 1pmx s PHE 23 CO 0.00 0.44 -0.04 1.52 -0.05 0.00 0.00 175.22 177.09 1pmx s TYR 24 N -2.05 0.73 0.00 3.49 -0.85 -1.23 -5.03 117.35 112.41 1pmx s TYR 24 Ca 0.34 -0.20 -0.03 0.00 -0.52 0.00 0.00 57.07 56.66 1pmx s TYR 24 Cb -0.09 -0.67 -0.02 0.00 0.38 0.00 0.00 41.96 41.57 1pmx s TYR 24 CO 0.28 -0.20 0.88 0.74 -1.52 0.00 0.00 175.55 175.73 1pmx h PHE 25 N 7.29 -0.11 -3.49 -3.49 -1.00 -2.00 -3.42 116.94 110.72 1pmx h PHE 25 Ca -0.36 -0.00 -0.61 0.00 2.81 0.00 0.00 57.97 59.80 1pmx h PHE 25 Cb 1.15 0.04 -0.12 0.00 3.61 0.00 0.00 35.95 40.63 1pmx h PHE 25 CO 0.50 -0.07 0.25 1.21 -1.61 0.00 0.00 178.31 178.58 1pmx s ASN 26 N -2.39 6.56 0.15 2.17 3.04 -1.26 -3.87 114.94 119.33 1pmx s ASN 26 Ca -0.02 0.51 0.08 0.00 0.04 0.00 0.00 52.86 53.47 1pmx s ASN 26 Cb 0.00 -2.36 -0.04 0.00 -1.54 0.00 0.00 41.25 37.31 1pmx s ASN 26 CO 0.05 -0.54 -0.10 -1.59 -3.04 0.00 0.00 177.10 171.88 1pmx s LYS 27 N 2.75 2.06 0.31 0.43 -2.85 -1.26 -5.10 119.74 116.08 1pmx s LYS 27 Ca 0.28 -1.17 -0.29 0.00 -1.00 0.00 0.00 55.97 53.78 1pmx s LYS 27 Cb -0.15 -2.21 -0.11 0.00 -2.06 0.00 0.00 37.83 33.31 1pmx s LYS 27 CO 0.12 0.46 1.53 -1.25 0.10 0.00 0.00 175.35 176.31 1pmx s PRO 28 N -2.54 4.16 0.13 1.78 0.04 -1.26 -4.92 135.00 132.39 1pmx s PRO 28 Ca 0.23 2.51 0.00 0.00 0.04 0.00 0.00 61.00 63.78 1pmx s PRO 28 Cb -0.10 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.42 1pmx s PRO 28 CO 0.14 -0.55 0.00 0.25 0.04 0.00 0.00 177.00 176.88 1pmx n THR 29 N 1.71 0.68 0.00 1.26 -2.24 -1.26 -5.12 114.28 109.31 1pmx n THR 29 Ca 0.06 0.23 0.00 0.00 -2.27 0.00 0.00 64.05 62.06 1pmx n THR 29 Cb 0.39 -1.23 0.00 0.00 -2.10 0.00 0.00 70.33 67.39 1pmx n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pmx n GLY 30 N 2.79 1.07 3.77 3.38 0.00 -1.26 -5.17 105.19 109.77 1pmx n GLY 30 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 3.96 0.25 0.00 1.61 2.02 -1.26 -5.16 117.35 118.77 1pmx s TYR 31 Ca 0.00 -0.88 0.00 0.00 -0.37 0.00 0.00 57.07 55.82 1pmx s TYR 31 Cb 0.00 0.73 0.00 0.00 -0.40 0.00 0.00 41.96 42.29 1pmx s TYR 31 CO 0.00 -1.53 0.00 0.41 -1.57 0.00 0.00 175.55 172.86 1pmx n GLY 32 N -0.54 2.01 3.82 0.71 0.00 -1.26 -5.03 105.19 104.90 1pmx n GLY 32 Ca -0.07 -1.68 -0.38 0.00 0.00 0.00 0.00 46.02 43.89 1pmx n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pmx s SER 33 N -0.09 6.98 0.11 1.61 0.01 -1.26 -5.08 113.70 115.99 1pmx s SER 33 Ca 0.00 1.18 -0.06 0.00 1.31 0.00 0.00 55.95 58.39 1pmx s SER 33 Cb 0.00 -2.33 -0.05 0.00 0.21 0.00 0.00 66.02 63.85 1pmx s SER 33 CO 0.00 0.26 0.36 -0.55 0.41 0.00 0.00 173.24 173.71 1pmx s SER 34 N -1.20 6.51 -0.09 2.44 0.15 -1.26 -5.04 113.70 115.21 1pmx s SER 34 Ca 0.29 0.61 -0.06 0.00 0.70 0.00 0.00 55.95 57.49 1pmx s SER 34 Cb -0.18 -2.10 -0.02 0.00 -1.71 0.00 0.00 66.02 62.01 1pmx s SER 34 CO 0.18 0.11 -0.12 -1.54 1.20 0.00 0.00 173.24 173.07 1pmx n SER 35 N 0.39 1.08 0.00 5.45 3.41 -1.26 -4.95 113.62 117.74 1pmx n SER 35 Ca -0.05 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1pmx n SER 35 Cb 0.52 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 1pmx n SER 35 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1pmx n ARG 36 N -3.66 0.00 -4.11 4.33 1.74 -1.26 -5.11 116.66 108.60 1pmx n ARG 36 Ca -0.05 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.91 1pmx n ARG 36 Cb 0.18 -0.42 -0.11 0.00 -1.02 0.00 0.00 32.46 31.09 1pmx n ARG 36 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1pmx s ARG 37 N -1.88 0.65 0.23 5.56 6.06 -1.26 -5.17 118.95 123.14 1pmx s ARG 37 Ca 0.00 -0.99 -0.21 0.00 -2.50 0.00 0.00 55.73 52.03 1pmx s ARG 37 Cb 0.00 -0.27 0.03 0.00 0.06 0.00 0.00 34.95 34.78 1pmx s ARG 37 CO 0.00 0.03 0.65 0.00 -2.50 0.00 0.00 175.30 173.47 1pmx s ALA 38 N -2.26 -1.25 -0.48 6.12 0.00 -1.26 -4.99 121.76 117.63 1pmx s ALA 38 Ca -0.01 -0.08 -0.26 0.00 0.00 0.00 0.00 51.96 51.60 1pmx s ALA 38 Cb -0.04 0.87 -0.06 0.00 0.00 0.00 0.00 23.12 23.89 1pmx s ALA 38 CO -0.02 -0.92 2.28 -1.25 0.00 0.00 0.00 175.76 175.85 1pmx s PRO 39 N -3.87 2.32 -0.20 0.00 0.04 -1.26 -4.94 135.00 127.10 1pmx s PRO 39 Ca 0.08 1.32 -0.06 0.00 0.04 0.00 0.00 61.00 62.38 1pmx s PRO 39 Cb -0.04 -4.52 -0.03 0.00 0.04 0.00 0.00 34.50 29.95 1pmx s PRO 39 CO -0.00 -3.04 0.03 -1.14 0.04 0.00 0.00 177.00 172.89 1pmx s GLN 40 N 7.80 3.76 -0.25 4.56 0.74 -1.26 -5.08 119.66 129.92 1pmx s GLN 40 Ca 0.92 -0.45 -0.15 0.00 0.05 0.00 0.00 55.36 55.73 1pmx s GLN 40 Cb -0.18 -3.14 0.07 0.00 1.10 0.00 0.00 33.01 30.86 1pmx s GLN 40 CO 0.26 0.10 0.63 -0.08 -0.55 0.00 0.00 175.29 175.66 1pmx s THR 41 N 0.79 -0.01 0.00 -0.34 -1.32 -1.26 -5.03 115.64 108.47 1pmx s THR 41 Ca 0.02 0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 1pmx s THR 41 Cb -0.14 -0.91 0.00 0.00 -1.51 0.00 0.00 72.50 69.94 1pmx s THR 41 CO 0.02 0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.05 1pmx n GLY 42 N 4.21 3.49 0.12 6.08 0.00 -1.26 -4.74 105.19 113.10 1pmx n GLY 42 Ca -0.20 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.26 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 1.29 0.91 -0.61 6.09 -1.91 -3.26 117.51 120.01 1pmx h ILE 43 Ca 0.00 -2.84 -0.04 0.00 -1.37 0.00 0.00 64.86 60.61 1pmx h ILE 43 Cb 0.00 2.90 0.01 0.00 0.47 0.00 0.00 36.82 40.20 1pmx h ILE 43 CO 0.00 0.85 -0.47 0.58 -3.07 0.00 0.00 178.15 176.04 1pmx h VAL 44 N 0.10 0.00 -0.01 2.19 2.07 -1.93 -0.31 116.25 118.35 1pmx h VAL 44 Ca -0.22 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1pmx h VAL 44 Cb 2.05 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1pmx h VAL 44 CO 0.21 0.00 0.20 0.44 0.02 0.00 0.00 177.57 178.44 1pmx h ASP 45 N -1.26 0.00 0.03 0.57 3.32 -1.95 0.88 116.42 118.01 1pmx h ASP 45 Ca -0.12 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.74 1pmx h ASP 45 Cb 0.97 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 1pmx h ASP 45 CO 0.18 0.00 -1.00 -0.33 -1.72 0.00 0.00 179.24 176.38 1pmx h GLU 46 N 0.00 0.06 0.00 3.56 4.39 -1.47 -3.10 114.58 118.01 1pmx h GLU 46 Ca 0.01 -0.10 -0.26 0.00 0.34 0.00 0.00 59.36 59.35 1pmx h GLU 46 Cb 0.40 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.04 1pmx h GLU 46 CO -0.00 1.05 -1.97 0.00 -1.16 0.00 0.00 179.01 176.93 1pmx h PHE 49 N -0.40 -0.01 -1.45 0.00 -1.00 -1.32 -3.43 116.94 109.33 1pmx h PHE 49 Ca 0.00 -0.00 -0.46 0.00 2.81 0.00 0.00 57.97 60.33 1pmx h PHE 49 Cb 0.56 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.12 1pmx h PHE 49 CO 0.10 0.33 -0.31 1.03 -1.61 0.00 0.00 178.31 177.85 1pmx s ARG 50 N -1.84 2.67 -0.42 1.51 0.52 -1.17 -5.03 118.95 115.19 1pmx s ARG 50 Ca -0.07 -1.40 -0.18 0.00 -0.52 0.00 0.00 55.73 53.56 1pmx s ARG 50 Cb -0.01 -2.57 0.02 0.00 0.52 0.00 0.00 34.95 32.91 1pmx s ARG 50 CO 0.24 -0.25 0.50 -1.54 0.02 0.00 0.00 175.30 174.27 1pmx s SER 51 N -4.25 6.24 0.00 0.23 1.04 -1.22 -2.95 113.70 112.78 1pmx s SER 51 Ca 0.52 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.42 1pmx s SER 51 Cb -0.07 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.80 1pmx s SER 51 CO 0.31 -0.63 0.00 0.00 0.98 0.00 0.00 173.24 173.90 1pmx s ASP 53 N -0.91 4.95 0.19 0.00 -4.77 -1.26 -4.98 116.67 109.90 1pmx s ASP 53 Ca 0.00 -0.74 0.08 0.00 -3.30 0.00 0.00 52.55 48.58 1pmx s ASP 53 Cb 0.00 -0.68 0.05 0.00 -1.09 0.00 0.00 42.92 41.21 1pmx s ASP 53 CO 0.00 -0.51 1.43 -0.07 0.70 0.00 0.00 175.17 176.72 1pmx h LEU 54 N 1.22 0.05 -2.11 2.11 4.07 -2.02 -3.20 115.31 115.43 1pmx h LEU 54 Ca -0.43 -0.04 0.09 0.00 0.08 0.00 0.00 57.88 57.58 1pmx h LEU 54 Cb 1.26 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.97 1pmx h LEU 54 CO 0.60 0.85 0.29 0.03 -1.08 0.00 0.00 178.44 179.13 1pmx h ARG 55 N 0.02 0.00 0.00 1.13 3.08 -2.03 0.68 114.38 117.26 1pmx h ARG 55 Ca -0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 1pmx h ARG 55 Cb 1.45 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.50 1pmx h ARG 55 CO 0.11 0.00 -0.20 0.00 -1.07 0.00 0.00 179.97 178.81 1pmx h ARG 56 N 0.00 0.00 -0.30 0.04 2.47 -1.98 -2.44 114.38 112.17 1pmx h ARG 56 Ca 0.14 0.00 0.08 0.00 -1.26 0.00 0.00 59.98 58.94 1pmx h ARG 56 Cb 0.72 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.03 1pmx h ARG 56 CO -0.00 0.20 0.21 -0.07 0.56 0.00 0.00 179.97 180.87 1pmx h LEU 57 N 0.00 0.03 -1.04 3.04 3.38 -1.06 -0.81 115.31 118.86 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 0.38 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1pmx h LEU 57 CO 0.03 0.02 -0.42 -0.33 0.09 0.00 0.00 178.44 177.82 1pmx h GLU 58 N 0.03 0.12 -0.02 1.13 5.08 -1.58 -2.89 114.58 116.45 1pmx h GLU 58 Ca 0.14 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1pmx h GLU 58 Cb 0.52 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1pmx h GLU 58 CO -0.01 0.52 -0.05 0.52 -1.00 0.00 0.00 179.01 179.00 1pmx h MET 59 N 0.10 0.03 0.00 2.33 2.86 -1.27 -2.22 114.93 116.76 1pmx h MET 59 Ca 0.01 -0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.53 1pmx h MET 59 Cb 0.79 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.43 1pmx h MET 59 CO 0.06 0.09 -0.80 1.88 1.06 0.00 0.00 176.91 179.20 1pmx h TYR 60 N 0.03 0.00 -2.97 -0.22 0.05 -1.58 -3.46 116.97 108.83 1pmx h TYR 60 Ca 0.01 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.26 1pmx h TYR 60 Cb 0.11 0.00 0.03 0.00 1.01 0.00 0.00 36.73 37.89 1pmx h TYR 60 CO 0.00 0.48 0.78 0.00 -1.05 0.00 0.00 178.16 178.37 1pmx n ALA 62 N 3.85 -2.15 0.13 0.00 0.00 -1.04 -4.93 120.51 116.38 1pmx n ALA 62 Ca 0.12 -0.86 -0.00 0.00 0.00 0.00 0.00 53.44 52.70 1pmx n ALA 62 Cb 0.41 -2.00 0.14 0.00 0.00 0.00 0.00 19.45 18.00 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 -2.15 0.00 -7.08 0.00 0.13 -1.92 -3.46 132.00 117.52 1pmx h PRO 63 Ca -0.51 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.19 1pmx h PRO 63 Cb 1.30 0.00 0.22 0.00 0.13 0.00 0.00 31.00 32.65 1pmx h PRO 63 CO 0.42 0.62 -0.10 1.47 -0.23 0.00 0.00 178.00 180.19 1pmx n LEU 64 N -3.61 -1.90 -3.79 1.56 -0.00 -1.26 -5.07 117.00 102.93 1pmx n LEU 64 Ca -0.00 -0.21 -0.09 0.00 -0.00 0.00 0.00 56.01 55.70 1pmx n LEU 64 Cb 0.66 -1.22 -0.07 0.00 -0.00 0.00 0.00 43.42 42.79 1pmx n LEU 64 CO 0.42 -3.38 -0.02 -0.54 -0.00 0.00 0.00 177.39 173.87 1pmx s LYS 65 N -4.32 0.90 0.00 1.47 1.02 -1.26 -4.79 119.74 112.76 1pmx s LYS 65 Ca 0.68 -0.87 -0.00 0.00 0.02 0.00 0.00 55.97 55.80 1pmx s LYS 65 Cb -0.25 0.38 0.00 0.00 -0.52 0.00 0.00 37.83 37.44 1pmx s LYS 65 CO 0.66 -0.31 0.00 -0.35 -0.92 0.00 0.00 175.35 174.44 1pmx n PRO 66 N -0.07 -0.77 -2.04 -1.68 -0.04 -1.26 -5.03 135.00 124.10 1pmx n PRO 66 Ca -0.15 -0.01 -0.04 0.00 -0.04 0.00 0.00 63.50 63.26 1pmx n PRO 66 Cb 0.63 -0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.08 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 -0.42 0.02 0.55 0.00 -1.26 -5.10 120.51 111.30 1pmx n ALA 67 Ca -0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 53.44 52.98 1pmx n ALA 67 Cb 0.00 0.36 -0.00 0.00 0.00 0.00 0.00 19.45 19.81 1pmx n ALA 67 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1pmx h LYS 68 N 0.00 -0.04 -6.10 0.00 1.79 -2.11 -3.43 116.57 106.68 1pmx h LYS 68 Ca -0.10 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.81 1pmx h LYS 68 Cb 0.39 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.00 1pmx h LYS 68 CO 0.13 -0.03 0.26 -1.54 -1.08 0.00 0.00 179.45 177.19 1pmx s SER 69 N -2.52 7.07 0.00 0.86 1.04 -1.26 -5.37 113.70 113.53 1pmx s SER 69 Ca -0.01 1.30 0.29 0.00 0.48 0.00 0.00 55.95 58.01 1pmx s SER 69 Cb 0.00 -2.47 1.17 0.00 0.10 0.00 0.00 66.02 64.82 1pmx s SER 69 CO 0.02 -0.25 1.81 0.00 0.98 0.00 0.00 173.24 175.80