#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 -0.11 -0.55 1.61 0.04 -1.26 -5.00 135.00 129.73 1pmx s PRO 2 Ca 0.00 0.29 -0.11 0.00 0.04 0.00 0.00 61.00 61.21 1pmx s PRO 2 Cb 0.00 -1.69 0.14 0.00 0.04 0.00 0.00 34.50 32.98 1pmx s PRO 2 CO 0.00 -3.04 0.46 -1.21 0.04 0.00 0.00 177.00 173.25 1pmx s GLU 3 N -5.13 2.79 0.33 4.56 8.01 -1.26 -5.04 118.70 122.96 1pmx s GLU 3 Ca 0.67 -1.91 0.05 0.00 0.01 0.00 0.00 54.97 53.79 1pmx s GLU 3 Cb -0.15 -4.09 -0.02 0.00 -4.31 0.00 0.00 34.13 25.55 1pmx s GLU 3 CO 0.57 -1.25 0.17 0.25 0.01 0.00 0.00 175.26 175.01 1pmx n THR 4 N 4.77 0.00 -3.64 3.63 -2.24 -1.26 -4.24 114.28 111.29 1pmx n THR 4 Ca -0.05 -2.08 -0.27 0.00 -2.27 0.00 0.00 64.05 59.37 1pmx n THR 4 Cb 0.41 0.85 -0.16 0.00 -2.10 0.00 0.00 70.33 69.33 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 0.75 0.04 3.22 2.96 -1.24 -5.00 118.68 119.40 1pmx s LEU 5 Ca 0.24 -0.87 -0.01 0.00 -0.22 0.00 0.00 54.13 53.27 1pmx s LEU 5 Cb 0.01 -0.40 -0.03 0.00 0.50 0.00 0.00 46.19 46.26 1pmx s LEU 5 CO 0.17 -0.36 -0.02 0.00 -1.32 0.00 0.00 176.35 174.82 1pmx n GLY 7 N 0.53 1.28 0.32 0.00 0.00 -1.26 -3.02 105.19 103.05 1pmx n GLY 7 Ca -0.17 -0.71 0.15 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.50 2.10 -0.91 4.61 0.00 -1.98 -1.50 119.26 121.07 1pmx h ALA 8 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pmx h ALA 8 Cb 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1pmx h ALA 8 CO 0.00 -0.29 0.58 0.93 0.00 0.00 0.00 179.25 180.47 1pmx h GLU 9 N 0.00 1.21 -0.13 0.00 5.08 -1.93 0.82 114.58 119.63 1pmx h GLU 9 Ca 0.11 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 1pmx h GLU 9 Cb 0.46 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1pmx h GLU 9 CO -0.00 0.82 -0.32 1.25 -1.00 0.00 0.00 179.01 179.76 1pmx h LEU 10 N 1.24 0.50 -0.99 1.33 5.85 -1.40 -2.57 115.31 119.27 1pmx h LEU 10 Ca 0.33 -0.58 -0.11 0.00 0.84 0.00 0.00 57.88 58.37 1pmx h LEU 10 Cb -0.11 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1pmx h LEU 10 CO -0.07 0.99 -0.50 0.58 -0.34 0.00 0.00 178.44 179.10 1pmx h VAL 11 N 0.04 1.35 -0.36 1.05 2.07 -1.24 -2.76 116.25 116.41 1pmx h VAL 11 Ca -0.00 -1.72 -0.14 0.00 0.82 0.00 0.00 66.70 65.65 1pmx h VAL 11 Cb 0.92 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 1pmx h VAL 11 CO 0.07 0.49 -0.32 0.44 0.02 0.00 0.00 177.57 178.27 1pmx h ASP 12 N 0.00 0.91 -0.07 0.57 5.19 0.68 -1.86 116.42 121.83 1pmx h ASP 12 Ca -0.01 -0.46 -0.01 0.00 -0.62 0.00 0.00 57.03 55.94 1pmx h ASP 12 Cb 0.89 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 40.15 1pmx h ASP 12 CO 0.07 1.18 0.01 0.00 -3.12 0.00 0.00 179.24 177.37 1pmx h ALA 13 N 0.76 0.09 -0.40 3.45 0.00 -1.37 0.25 119.26 122.04 1pmx h ALA 13 Ca 0.06 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1pmx h ALA 13 Cb 0.90 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1pmx h ALA 13 CO 0.08 -0.25 0.26 -0.07 0.00 0.00 0.00 179.25 179.27 1pmx h LEU 14 N -0.14 0.45 -1.24 0.00 3.38 -1.52 0.35 115.31 116.60 1pmx h LEU 14 Ca 0.02 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1pmx h LEU 14 Cb 0.30 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1pmx h LEU 14 CO 0.00 0.33 -0.27 1.56 0.09 0.00 0.00 178.44 180.14 1pmx h GLN 15 N 0.53 0.17 0.02 1.13 1.08 -1.30 0.67 115.11 117.41 1pmx h GLN 15 Ca 0.15 -0.06 -0.20 0.00 -1.45 0.00 0.00 58.65 57.09 1pmx h GLN 15 Cb -0.06 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.34 1pmx h GLN 15 CO -0.04 0.44 -0.93 0.35 -0.95 0.00 0.00 178.83 177.70 1pmx h PHE 16 N 0.16 0.20 0.00 2.96 3.57 -0.25 -2.34 116.94 121.24 1pmx h PHE 16 Ca 0.02 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.40 1pmx h PHE 16 Cb 0.57 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.30 1pmx h PHE 16 CO 0.01 0.98 -0.10 0.28 -2.23 0.00 0.00 178.31 177.25 1pmx h VAL 17 N 0.06 0.00 0.08 1.41 2.07 0.03 -3.43 116.25 116.48 1pmx h VAL 17 Ca -0.04 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 1pmx h VAL 17 Cb 1.60 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1pmx h VAL 17 CO 0.14 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.69 1pmx n GLY 19 N 0.29 2.48 0.28 0.00 0.00 -0.78 -2.71 105.19 104.76 1pmx n GLY 19 Ca -0.08 -0.12 0.06 0.00 0.00 0.00 0.00 46.02 45.87 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 9.76 0.84 0.15 1.61 9.92 -1.26 -3.93 116.55 133.64 1pmx n ASP 20 Ca 0.00 -1.81 0.01 0.00 -0.53 0.00 0.00 54.79 52.46 1pmx n ASP 20 Cb 0.00 -0.08 0.28 0.00 -0.64 0.00 0.00 41.12 40.68 1pmx n ASP 20 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 1pmx h ARG 21 N 0.99 0.05 -1.30 -1.24 2.47 -1.82 -3.45 114.38 110.07 1pmx h ARG 21 Ca 0.00 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1pmx h ARG 21 Cb 0.22 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.54 1pmx h ARG 21 CO 0.00 0.49 0.00 0.41 0.56 0.00 0.00 179.97 181.43 1pmx n GLY 22 N -0.21 0.88 3.61 0.04 0.00 -1.25 -4.14 105.19 104.12 1pmx n GLY 22 Ca -0.02 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.64 0.57 -4.07 1.61 1.16 -1.26 -4.41 117.46 110.42 1pmx n PHE 23 Ca 0.00 0.38 -0.13 0.00 -1.87 0.00 0.00 57.45 55.82 1pmx n PHE 23 Cb 0.22 -2.04 -0.12 0.00 -1.61 0.00 0.00 39.48 35.92 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 -2.04 0.60 -0.10 2.97 -0.85 -1.17 -5.01 117.35 111.75 1pmx s TYR 24 Ca 0.71 -0.42 -0.09 0.00 -0.52 0.00 0.00 57.07 56.75 1pmx s TYR 24 Cb -0.30 -0.37 -0.07 0.00 0.38 0.00 0.00 41.96 41.59 1pmx s TYR 24 CO 0.53 -0.07 0.28 0.74 -1.52 0.00 0.00 175.55 175.51 1pmx h PHE 25 N 4.82 -0.06 -3.39 -3.49 0.04 -1.96 -3.45 116.94 109.45 1pmx h PHE 25 Ca -0.34 -0.00 -0.60 0.00 2.80 0.00 0.00 57.97 59.83 1pmx h PHE 25 Cb 1.20 0.02 -0.10 0.00 2.20 0.00 0.00 35.95 39.27 1pmx h PHE 25 CO 0.60 0.20 0.24 -0.80 -0.60 0.00 0.00 178.31 177.95 1pmx s ASN 26 N -5.63 6.71 -0.02 2.17 -0.87 -1.26 -4.28 114.94 111.76 1pmx s ASN 26 Ca -0.06 0.88 -0.04 0.00 -1.57 0.00 0.00 52.86 52.07 1pmx s ASN 26 Cb -0.01 -2.38 0.00 0.00 -0.02 0.00 0.00 41.25 38.85 1pmx s ASN 26 CO 0.20 -0.37 0.10 -1.59 -2.57 0.00 0.00 177.10 172.87 1pmx s LYS 27 N 2.31 0.23 0.01 -0.60 -2.85 -1.26 -5.14 119.74 112.45 1pmx s LYS 27 Ca 0.30 -0.07 -0.30 0.00 -1.00 0.00 0.00 55.97 54.90 1pmx s LYS 27 Cb -0.16 0.10 -0.05 0.00 -2.06 0.00 0.00 37.83 35.67 1pmx s LYS 27 CO 0.09 -0.04 1.23 -1.25 0.10 0.00 0.00 175.35 175.48 1pmx s PRO 28 N -0.47 4.38 -0.09 1.78 0.04 -1.26 -4.91 135.00 134.48 1pmx s PRO 28 Ca -0.05 1.77 0.03 0.00 0.04 0.00 0.00 61.00 62.79 1pmx s PRO 28 Cb -0.04 -3.45 -0.08 0.00 0.04 0.00 0.00 34.50 30.97 1pmx s PRO 28 CO 0.00 -0.37 -0.04 -2.37 0.04 0.00 0.00 177.00 174.26 1pmx n THR 29 N 4.28 0.55 0.00 1.26 5.66 -1.26 -5.03 114.28 119.73 1pmx n THR 29 Ca 0.10 -0.27 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 1pmx n THR 29 Cb 0.46 -0.83 0.00 0.00 -1.55 0.00 0.00 70.33 68.41 1pmx n THR 29 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1pmx n GLY 30 N 2.81 -0.90 3.66 1.09 0.00 -1.26 -5.14 105.19 105.45 1pmx n GLY 30 Ca -0.15 0.77 -0.41 0.00 0.00 0.00 0.00 46.02 46.23 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 3.38 0.00 1.61 1.51 -1.26 -4.86 117.35 117.73 1pmx s TYR 31 Ca 0.00 1.08 0.00 0.00 -1.01 0.00 0.00 57.07 57.14 1pmx s TYR 31 Cb 0.00 -2.92 0.00 0.00 -0.11 0.00 0.00 41.96 38.93 1pmx s TYR 31 CO 0.00 -0.23 0.00 0.41 -1.11 0.00 0.00 175.55 174.62 1pmx n GLY 32 N 3.67 -1.80 2.06 0.71 0.00 -1.26 -5.06 105.19 103.50 1pmx n GLY 32 Ca 0.02 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.80 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 -1.04 -3.62 1.61 2.88 -1.26 -5.11 113.62 107.08 1pmx n SER 33 Ca 0.00 0.33 -0.12 0.00 -1.33 0.00 0.00 58.87 57.74 1pmx n SER 33 Cb 0.00 1.16 -0.12 0.00 -0.75 0.00 0.00 64.21 64.50 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 -3.50 0.31 -0.40 -3.46 0.01 -1.26 -5.02 113.70 100.38 1pmx s SER 34 Ca 0.00 0.57 0.05 0.00 1.31 0.00 0.00 55.95 57.88 1pmx s SER 34 Cb 0.00 0.85 0.58 0.00 0.21 0.00 0.00 66.02 67.66 1pmx s SER 34 CO 0.00 -0.25 1.72 -0.24 0.41 0.00 0.00 173.24 174.88 1pmx n SER 35 N 5.36 3.54 0.14 2.44 2.88 -1.26 -4.53 113.62 122.19 1pmx n SER 35 Ca -0.06 -3.71 -0.23 0.00 -1.33 0.00 0.00 58.87 53.54 1pmx n SER 35 Cb 0.50 -0.75 -0.16 0.00 -0.75 0.00 0.00 64.21 63.05 1pmx n SER 35 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1pmx h ARG 36 N 1.11 0.48 -3.39 -1.46 1.12 -2.08 -3.47 114.38 106.69 1pmx h ARG 36 Ca 0.46 -0.82 -0.09 0.00 -1.11 0.00 0.00 59.98 58.42 1pmx h ARG 36 Cb 2.19 0.31 -0.16 0.00 -0.01 0.00 0.00 29.97 32.30 1pmx h ARG 36 CO 0.84 1.39 -0.26 0.50 -3.11 0.00 0.00 179.97 179.34 1pmx s ARG 37 N -2.61 0.82 -0.57 0.20 6.06 -1.26 -5.13 118.95 116.47 1pmx s ARG 37 Ca -0.08 -0.58 -0.17 0.00 -2.50 0.00 0.00 55.73 52.40 1pmx s ARG 37 Cb 0.05 0.35 0.12 0.00 0.06 0.00 0.00 34.95 35.54 1pmx s ARG 37 CO 0.93 -0.27 0.58 0.00 -2.50 0.00 0.00 175.30 174.04 1pmx s ALA 38 N -2.80 3.59 0.37 6.12 0.00 -1.26 -5.04 121.76 122.74 1pmx s ALA 38 Ca -0.03 -2.47 -0.25 0.00 0.00 0.00 0.00 51.96 49.20 1pmx s ALA 38 Cb -0.00 -3.37 -0.09 0.00 0.00 0.00 0.00 23.12 19.66 1pmx s ALA 38 CO -0.05 -2.14 1.06 -1.25 0.00 0.00 0.00 175.76 173.38 1pmx s PRO 39 N 1.90 4.28 -0.49 0.00 0.04 -1.26 -5.01 135.00 134.45 1pmx s PRO 39 Ca 0.06 1.57 -0.17 0.00 0.04 0.00 0.00 61.00 62.50 1pmx s PRO 39 Cb -0.27 -2.69 0.07 0.00 0.04 0.00 0.00 34.50 31.65 1pmx s PRO 39 CO 0.03 -0.05 0.50 1.14 0.04 0.00 0.00 177.00 178.66 1pmx s GLN 40 N -2.25 3.04 -0.12 4.56 -2.07 -1.26 -5.03 119.66 116.53 1pmx s GLN 40 Ca 0.55 -1.19 -0.10 0.00 -1.82 0.00 0.00 55.36 52.80 1pmx s GLN 40 Cb -0.24 -4.13 0.03 0.00 -1.09 0.00 0.00 33.01 27.58 1pmx s GLN 40 CO 0.30 -1.14 0.31 0.95 -1.32 0.00 0.00 175.29 174.39 1pmx s THR 41 N 2.07 -0.00 0.00 3.63 -4.23 -1.26 -4.94 115.64 110.91 1pmx s THR 41 Ca 0.09 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.61 1pmx s THR 41 Cb -0.23 -0.44 0.00 0.00 1.34 0.00 0.00 72.50 73.18 1pmx s THR 41 CO 0.08 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 1pmx n GLY 42 N 3.07 0.94 0.08 3.99 0.00 -1.26 -4.78 105.19 107.22 1pmx n GLY 42 Ca -0.14 0.25 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 1pmx n GLY 42 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1pmx n ILE 43 N 0.00 1.03 0.17 -0.61 0.13 -1.26 -4.02 119.36 114.79 1pmx n ILE 43 Ca 0.00 -0.62 -0.07 0.00 -1.10 0.00 0.00 62.75 60.96 1pmx n ILE 43 Cb 0.00 -0.64 -0.03 0.00 -0.84 0.00 0.00 39.64 38.12 1pmx n ILE 43 CO 0.00 0.00 0.00 0.58 2.80 0.00 0.00 176.55 179.93 1pmx h VAL 44 N 0.00 0.00 0.00 9.51 2.07 -1.93 0.82 116.25 126.72 1pmx h VAL 44 Ca -0.41 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1pmx h VAL 44 Cb 1.90 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1pmx h VAL 44 CO 0.02 0.00 -0.05 0.44 0.02 0.00 0.00 177.57 178.00 1pmx h ASP 45 N -0.58 0.00 0.46 0.57 5.19 -1.92 0.87 116.42 121.00 1pmx h ASP 45 Ca -0.05 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.07 1pmx h ASP 45 Cb 0.34 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.80 1pmx h ASP 45 CO 0.08 0.05 -1.74 1.21 -3.12 0.00 0.00 179.24 175.71 1pmx n GLU 46 N -3.46 0.64 -0.06 3.56 4.07 -1.20 -3.82 120.64 120.37 1pmx n GLU 46 Ca -0.02 0.29 -0.14 0.00 -0.06 0.00 0.00 57.16 57.23 1pmx n GLU 46 Cb 0.17 -1.78 -0.05 0.00 -0.06 0.00 0.00 31.44 29.72 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 -0.74 -0.57 -4.08 0.00 -1.00 -1.43 -3.42 116.94 105.69 1pmx h PHE 49 Ca -0.07 -0.01 -0.62 0.00 2.81 0.00 0.00 57.97 60.08 1pmx h PHE 49 Cb 0.55 0.19 -0.24 0.00 3.61 0.00 0.00 35.95 40.06 1pmx h PHE 49 CO -0.03 -0.31 -0.85 -0.98 -1.61 0.00 0.00 178.31 174.53 1pmx s ARG 50 N -5.67 1.40 0.27 1.51 1.70 -1.22 -5.06 118.95 111.87 1pmx s ARG 50 Ca -0.16 -1.12 -0.31 0.00 -0.47 0.00 0.00 55.73 53.68 1pmx s ARG 50 Cb 0.03 -1.65 -0.12 0.00 -0.57 0.00 0.00 34.95 32.64 1pmx s ARG 50 CO 0.60 0.41 1.59 -1.13 -1.08 0.00 0.00 175.30 175.69 1pmx n SER 51 N 1.44 3.68 -0.89 -2.89 3.41 -1.24 -2.70 113.62 114.43 1pmx n SER 51 Ca -0.18 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.56 1pmx n SER 51 Cb 0.53 -1.56 0.00 0.00 -0.26 0.00 0.00 64.21 62.92 1pmx n SER 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pmx s ASP 53 N 0.03 4.13 0.40 0.00 -4.77 -1.26 -5.01 116.67 110.19 1pmx s ASP 53 Ca 0.00 -0.30 0.13 0.00 -3.30 0.00 0.00 52.55 49.08 1pmx s ASP 53 Cb 0.00 -1.64 0.95 0.00 -1.09 0.00 0.00 42.92 41.14 1pmx s ASP 53 CO 0.00 0.16 1.89 -0.07 0.70 0.00 0.00 175.17 177.85 1pmx h LEU 54 N 6.75 0.50 -2.13 2.11 3.38 -2.04 -0.72 115.31 123.17 1pmx h LEU 54 Ca -0.27 0.03 0.08 0.00 0.09 0.00 0.00 57.88 57.81 1pmx h LEU 54 Cb 1.21 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1pmx h LEU 54 CO 0.57 0.25 0.27 0.03 0.09 0.00 0.00 178.44 179.66 1pmx h ARG 55 N 0.53 0.00 -0.07 1.13 2.47 -2.04 0.02 114.38 116.43 1pmx h ARG 55 Ca 0.41 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 59.15 1pmx h ARG 55 Cb 0.81 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.13 1pmx h ARG 55 CO -0.16 0.00 0.05 0.00 0.56 0.00 0.00 179.97 180.42 1pmx h ARG 56 N 0.00 0.00 -0.46 0.04 2.47 -1.55 -1.76 114.38 113.12 1pmx h ARG 56 Ca 0.13 0.00 0.13 0.00 -1.26 0.00 0.00 59.98 58.98 1pmx h ARG 56 Cb 0.67 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.98 1pmx h ARG 56 CO -0.00 0.00 0.35 -0.07 0.56 0.00 0.00 179.97 180.81 1pmx h LEU 57 N 0.00 0.00 -1.02 3.04 3.38 -1.15 0.12 115.31 119.68 1pmx h LEU 57 Ca 0.03 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1pmx h LEU 57 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1pmx h LEU 57 CO -0.00 0.00 -0.34 -0.33 0.09 0.00 0.00 178.44 177.86 1pmx h GLU 58 N 0.00 0.00 -0.08 1.13 5.08 -1.50 -3.15 114.58 116.07 1pmx h GLU 58 Ca 0.22 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.48 1pmx h GLU 58 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1pmx h GLU 58 CO -0.00 0.34 -0.34 0.52 -1.00 0.00 0.00 179.01 178.53 1pmx h MET 59 N 0.00 0.36 0.00 2.33 2.86 -1.11 -3.15 114.93 116.22 1pmx h MET 59 Ca -0.00 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.34 1pmx h MET 59 Cb 0.84 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.56 1pmx h MET 59 CO 0.04 0.93 -0.03 1.88 1.06 0.00 0.00 176.91 180.79 1pmx h TYR 60 N -0.11 0.00 -3.97 -0.22 -1.99 -1.54 -3.43 116.97 105.70 1pmx h TYR 60 Ca -0.02 0.00 -0.56 0.00 2.00 0.00 0.00 58.73 60.15 1pmx h TYR 60 Cb 0.98 0.00 0.15 0.00 2.00 0.00 0.00 36.73 39.86 1pmx h TYR 60 CO 0.13 0.03 0.54 0.00 -0.00 0.00 0.00 178.16 178.85 1pmx s ALA 62 N -1.32 3.09 0.20 0.00 0.00 -1.26 -4.96 121.76 117.51 1pmx s ALA 62 Ca 0.74 -0.16 0.08 0.00 0.00 0.00 0.00 51.96 52.63 1pmx s ALA 62 Cb -0.41 -3.04 0.09 0.00 0.00 0.00 0.00 23.12 19.75 1pmx s ALA 62 CO 0.48 -0.74 1.45 -1.00 0.00 0.00 0.00 175.76 175.95 1pmx h PRO 63 N -0.34 0.01 -7.14 0.00 0.13 -1.94 -3.46 132.00 119.26 1pmx h PRO 63 Ca -0.44 -0.01 -0.42 0.00 -0.87 0.00 0.00 66.00 64.25 1pmx h PRO 63 Cb 1.20 0.00 0.21 0.00 0.13 0.00 0.00 31.00 32.54 1pmx h PRO 63 CO 0.62 0.80 -0.02 -0.48 -0.23 0.00 0.00 178.00 178.70 1pmx s LEU 64 N -7.21 0.26 0.06 1.56 2.34 -1.26 -5.08 118.68 109.35 1pmx s LEU 64 Ca -0.00 1.25 -0.14 0.00 0.06 0.00 0.00 54.13 55.30 1pmx s LEU 64 Cb 0.11 -3.02 0.02 0.00 -0.56 0.00 0.00 46.19 42.74 1pmx s LEU 64 CO 0.79 -4.51 0.31 -0.54 -1.06 0.00 0.00 176.35 171.34 1pmx s LYS 65 N -4.69 0.84 -1.04 1.48 1.02 -1.26 -4.80 119.74 111.30 1pmx s LYS 65 Ca 0.68 -0.56 -0.23 0.00 0.02 0.00 0.00 55.97 55.89 1pmx s LYS 65 Cb -0.21 0.36 -0.02 0.00 -0.52 0.00 0.00 37.83 37.45 1pmx s LYS 65 CO 0.62 -0.28 1.80 -1.25 -0.92 0.00 0.00 175.35 175.32 1pmx s PRO 66 N -2.79 2.98 -0.05 -1.68 0.04 -1.26 -4.33 135.00 127.91 1pmx s PRO 66 Ca -0.03 -0.90 0.02 0.00 0.04 0.00 0.00 61.00 60.12 1pmx s PRO 66 Cb -0.00 -5.24 0.06 0.00 0.04 0.00 0.00 34.50 29.37 1pmx s PRO 66 CO -0.05 -3.08 0.84 0.00 0.04 0.00 0.00 177.00 174.75 1pmx n ALA 67 N 12.11 2.18 -3.06 8.56 0.00 -1.26 -5.15 120.51 133.89 1pmx n ALA 67 Ca 0.41 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1pmx n ALA 67 Cb 0.48 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1pmx n ALA 67 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1pmx n LYS 68 N -0.24 1.17 -0.02 0.00 2.85 -1.26 -5.02 118.16 115.63 1pmx n LYS 68 Ca -0.19 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 56.98 1pmx n LYS 68 Cb 0.62 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.96 1pmx n LYS 68 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 1pmx h SER 69 N 0.00 -0.12 0.00 -5.58 0.02 -2.01 -3.55 113.55 102.32 1pmx h SER 69 Ca 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1pmx h SER 69 Cb 0.00 0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1pmx h SER 69 CO 0.00 -0.04 0.00 0.00 -1.14 0.00 0.00 176.83 175.65