#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 3.44 -0.41 1.61 0.04 -1.26 -5.03 135.00 133.40 1pmx s PRO 2 Ca 0.00 1.37 -0.04 0.00 0.04 0.00 0.00 61.00 62.37 1pmx s PRO 2 Cb 0.00 -2.04 0.11 0.00 0.04 0.00 0.00 34.50 32.61 1pmx s PRO 2 CO 0.00 -0.73 0.21 -1.21 0.04 0.00 0.00 177.00 175.31 1pmx s GLU 3 N -3.60 2.12 0.46 4.56 8.01 -1.26 -5.08 118.70 123.92 1pmx s GLU 3 Ca 0.67 -1.75 0.04 0.00 0.01 0.00 0.00 54.97 53.94 1pmx s GLU 3 Cb -0.18 -3.61 -0.05 0.00 -4.31 0.00 0.00 34.13 25.98 1pmx s GLU 3 CO 0.29 -1.05 0.01 0.95 0.01 0.00 0.00 175.26 175.47 1pmx s THR 4 N 1.19 1.56 -0.09 3.63 -4.23 -1.26 -4.18 115.64 112.26 1pmx s THR 4 Ca 0.07 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.55 1pmx s THR 4 Cb -0.23 -2.56 0.04 0.00 1.34 0.00 0.00 72.50 71.09 1pmx s THR 4 CO -0.03 0.00 0.07 -0.22 -0.54 0.00 0.00 174.62 173.90 1pmx s LEU 5 N -3.80 0.20 0.17 4.79 2.96 -1.24 -5.04 118.68 116.73 1pmx s LEU 5 Ca 0.20 -0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 53.95 1pmx s LEU 5 Cb 0.06 -0.16 -0.04 0.00 0.50 0.00 0.00 46.19 46.55 1pmx s LEU 5 CO 0.10 -0.28 0.10 0.00 -1.32 0.00 0.00 176.35 174.95 1pmx n GLY 7 N -0.20 0.35 0.29 0.00 0.00 -1.26 -3.15 105.19 101.21 1pmx n GLY 7 Ca -0.01 -0.85 0.11 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.53 2.12 -0.72 4.61 0.00 -1.99 -1.94 119.26 120.80 1pmx h ALA 8 Ca 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 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 -0.15 0.46 0.93 0.00 0.00 0.00 179.25 180.49 1pmx h GLU 9 N 0.01 0.89 -0.27 0.00 5.08 -1.95 0.82 114.58 119.15 1pmx h GLU 9 Ca 0.06 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 1pmx h GLU 9 Cb 0.24 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1pmx h GLU 9 CO -0.00 0.59 -0.21 1.25 -1.00 0.00 0.00 179.01 179.64 1pmx h LEU 10 N 0.92 0.66 -0.98 1.33 5.85 -1.40 -2.46 115.31 119.24 1pmx h LEU 10 Ca 0.28 -0.45 -0.11 0.00 0.84 0.00 0.00 57.88 58.44 1pmx h LEU 10 Cb -0.04 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1pmx h LEU 10 CO -0.09 0.97 -0.48 0.58 -0.34 0.00 0.00 178.44 179.08 1pmx h VAL 11 N 0.36 1.34 -0.34 1.05 2.07 -1.19 -2.68 116.25 116.86 1pmx h VAL 11 Ca 0.05 -1.66 -0.13 0.00 0.82 0.00 0.00 66.70 65.78 1pmx h VAL 11 Cb 0.76 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 1pmx h VAL 11 CO 0.06 0.48 -0.32 0.44 0.02 0.00 0.00 177.57 178.25 1pmx h ASP 12 N 0.06 0.77 -0.27 0.57 3.32 0.75 -2.37 116.42 119.26 1pmx h ASP 12 Ca 0.00 -0.32 -0.13 0.00 0.02 0.00 0.00 57.03 56.60 1pmx h ASP 12 Cb 0.87 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.20 1pmx h ASP 12 CO 0.07 1.03 -0.34 0.00 -1.72 0.00 0.00 179.24 178.28 1pmx h ALA 13 N 1.01 0.40 -0.78 3.45 0.00 -1.31 -1.57 119.26 120.47 1pmx h ALA 13 Ca 0.07 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1pmx h ALA 13 Cb 0.84 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1pmx h ALA 13 CO 0.07 0.46 0.50 -0.07 0.00 0.00 0.00 179.25 180.21 1pmx h LEU 14 N 0.44 0.91 -0.97 0.00 3.38 -1.44 0.20 115.31 117.82 1pmx h LEU 14 Ca 0.03 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1pmx h LEU 14 Cb 0.92 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1pmx h LEU 14 CO 0.08 0.67 -0.38 1.56 0.09 0.00 0.00 178.44 180.45 1pmx h GLN 15 N 1.06 0.25 -0.21 1.13 1.08 -1.39 0.83 115.11 117.86 1pmx h GLN 15 Ca 0.28 -0.11 -0.12 0.00 -1.45 0.00 0.00 58.65 57.25 1pmx h GLN 15 Cb -0.10 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.32 1pmx h GLN 15 CO -0.06 0.60 -0.35 0.74 -0.95 0.00 0.00 178.83 178.81 1pmx h PHE 16 N 0.21 0.75 0.00 2.96 0.04 -0.33 0.20 116.94 120.77 1pmx h PHE 16 Ca 0.02 -0.26 -0.03 0.00 2.80 0.00 0.00 57.97 60.50 1pmx h PHE 16 Cb 0.78 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.78 1pmx h PHE 16 CO 0.01 1.00 -0.19 0.28 -0.60 0.00 0.00 178.31 178.81 1pmx h VAL 17 N 0.28 1.27 0.00 -0.55 2.07 -0.53 -3.41 116.25 115.38 1pmx h VAL 17 Ca 0.01 -2.02 -0.06 0.00 0.82 0.00 0.00 66.70 65.45 1pmx h VAL 17 Cb 0.94 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 33.16 1pmx h VAL 17 CO 0.08 0.43 -0.37 0.00 0.02 0.00 0.00 177.57 177.72 1pmx n GLY 19 N 1.58 1.31 0.12 0.00 0.00 0.70 -1.34 105.19 107.55 1pmx n GLY 19 Ca -0.15 0.42 0.05 0.00 0.00 0.00 0.00 46.02 46.34 1pmx n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pmx n ASP 20 N 11.60 0.35 0.07 1.61 2.03 -1.26 -3.82 116.55 127.13 1pmx n ASP 20 Ca 0.00 -1.76 -0.21 0.00 0.52 0.00 0.00 54.79 53.34 1pmx n ASP 20 Cb 0.00 -0.03 -0.12 0.00 -0.72 0.00 0.00 41.12 40.25 1pmx n ASP 20 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1pmx h ARG 21 N 0.42 0.65 -0.69 -0.67 2.47 -1.49 -3.48 114.38 111.59 1pmx h ARG 21 Ca 0.00 -0.80 0.00 0.00 -1.26 0.00 0.00 59.98 57.92 1pmx h ARG 21 Cb 0.09 0.25 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 1pmx h ARG 21 CO 0.00 1.36 0.00 0.41 0.56 0.00 0.00 179.97 182.30 1pmx n GLY 22 N 1.27 0.42 3.77 0.04 0.00 -1.25 -4.00 105.19 105.43 1pmx n GLY 22 Ca -0.13 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.60 2.64 0.02 1.61 -0.12 -1.26 -3.71 117.98 116.56 1pmx s PHE 23 Ca 0.00 1.31 -0.06 0.00 -0.05 0.00 0.00 56.93 58.13 1pmx s PHE 23 Cb 0.00 -3.09 -0.00 0.00 -0.63 0.00 0.00 43.02 39.30 1pmx s PHE 23 CO 0.00 -1.92 0.11 1.52 -0.05 0.00 0.00 175.22 174.88 1pmx s TYR 24 N -3.01 0.12 -0.50 3.49 -0.85 -1.25 -5.00 117.35 110.36 1pmx s TYR 24 Ca 0.61 -0.31 0.01 0.00 -0.52 0.00 0.00 57.07 56.86 1pmx s TYR 24 Cb -0.16 -0.09 0.48 0.00 0.38 0.00 0.00 41.96 42.56 1pmx s TYR 24 CO 0.56 -0.31 1.93 1.19 -1.52 0.00 0.00 175.55 177.40 1pmx n PHE 25 N 1.20 2.75 -3.49 -3.49 3.01 -1.26 -4.84 117.46 111.34 1pmx n PHE 25 Ca -0.21 -2.28 0.02 0.00 1.01 0.00 0.00 57.45 55.98 1pmx n PHE 25 Cb 0.57 -1.12 -0.05 0.00 -0.01 0.00 0.00 39.48 38.86 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 -1.18 -0.19 -0.02 4.37 0.01 -1.26 -3.58 114.94 113.10 1pmx s ASN 26 Ca 0.53 0.28 -0.13 0.00 -0.71 0.00 0.00 52.86 52.83 1pmx s ASN 26 Cb 0.43 1.14 0.02 0.00 0.41 0.00 0.00 41.25 43.25 1pmx s ASN 26 CO 0.04 -0.04 0.28 -1.59 -1.51 0.00 0.00 177.10 174.27 1pmx s LYS 27 N 1.52 0.62 0.98 -0.60 -2.85 -1.26 -5.09 119.74 113.06 1pmx s LYS 27 Ca -0.05 -0.20 -0.13 0.00 -1.00 0.00 0.00 55.97 54.59 1pmx s LYS 27 Cb -0.02 0.27 0.18 0.00 -2.06 0.00 0.00 37.83 36.20 1pmx s LYS 27 CO -0.13 -0.17 1.11 -1.25 0.10 0.00 0.00 175.35 175.02 1pmx s PRO 28 N -1.27 0.61 -0.23 1.78 0.04 -1.26 -5.07 135.00 129.60 1pmx s PRO 28 Ca -0.13 0.38 -0.23 0.00 0.04 0.00 0.00 61.00 61.06 1pmx s PRO 28 Cb -0.05 -1.77 0.06 0.00 0.04 0.00 0.00 34.50 32.78 1pmx s PRO 28 CO 0.04 -2.58 0.65 -0.08 0.04 0.00 0.00 177.00 175.07 1pmx s THR 29 N -3.10 0.00 -0.12 1.26 -1.32 -1.26 -5.06 115.64 106.04 1pmx s THR 29 Ca 0.65 -0.00 0.07 0.00 -1.21 0.00 0.00 61.69 61.20 1pmx s THR 29 Cb -0.17 -0.91 -0.24 0.00 -1.51 0.00 0.00 72.50 69.68 1pmx s THR 29 CO 0.56 -0.00 0.36 0.61 -2.21 0.00 0.00 174.62 173.94 1pmx n GLY 30 N 2.63 -0.80 0.05 6.08 0.00 -1.26 -4.49 105.19 107.41 1pmx n GLY 30 Ca -0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 46.02 45.69 1pmx n GLY 30 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1pmx h TYR 31 N 0.02 0.00 -0.47 1.61 -1.99 -2.05 -3.39 116.97 110.70 1pmx h TYR 31 Ca -0.41 0.00 -0.72 0.00 2.00 0.00 0.00 58.73 59.61 1pmx h TYR 31 Cb 2.05 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 40.71 1pmx h TYR 31 CO 0.03 0.09 2.72 0.41 -0.00 0.00 0.00 178.16 181.41 1pmx n GLY 32 N 1.76 4.17 2.86 3.88 0.00 -1.26 -4.86 105.19 111.73 1pmx n GLY 32 Ca -0.01 -1.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.02 1pmx n GLY 32 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pmx s SER 33 N 2.91 4.07 -0.01 1.61 0.15 -1.26 -4.78 113.70 116.38 1pmx s SER 33 Ca 0.47 -1.57 -0.27 0.00 0.70 0.00 0.00 55.95 55.28 1pmx s SER 33 Cb 0.11 -1.11 0.06 0.00 -1.71 0.00 0.00 66.02 63.37 1pmx s SER 33 CO -0.04 -0.35 0.60 -0.44 1.20 0.00 0.00 173.24 174.21 1pmx s SER 34 N 1.41 -0.56 -0.13 5.45 0.01 -1.26 -5.06 113.70 113.55 1pmx s SER 34 Ca 0.05 0.49 0.08 0.00 1.31 0.00 0.00 55.95 57.87 1pmx s SER 34 Cb -0.18 0.51 -0.14 0.00 0.21 0.00 0.00 66.02 66.43 1pmx s SER 34 CO -0.15 -0.65 -0.02 -0.24 0.41 0.00 0.00 173.24 172.60 1pmx n SER 35 N 0.74 2.24 -0.14 2.44 2.88 -1.26 -4.60 113.62 115.92 1pmx n SER 35 Ca -0.19 -0.03 -0.08 0.00 -1.33 0.00 0.00 58.87 57.24 1pmx n SER 35 Cb 0.58 0.45 0.01 0.00 -0.75 0.00 0.00 64.21 64.50 1pmx n SER 35 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1pmx h ARG 36 N 0.00 0.58 0.00 -1.46 -0.00 -2.04 -3.44 114.38 108.02 1pmx h ARG 36 Ca -0.34 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.10 1pmx h ARG 36 Cb 1.69 -0.13 0.00 0.00 0.00 0.00 0.00 29.97 31.53 1pmx h ARG 36 CO -0.01 0.41 0.00 2.89 0.00 0.00 0.00 179.97 183.26 1pmx n ARG 37 N -4.76 -1.05 -0.77 0.04 1.85 -1.26 -4.97 116.66 105.74 1pmx n ARG 37 Ca 0.01 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.54 1pmx n ARG 37 Cb 0.04 0.00 0.14 0.00 -1.05 0.00 0.00 32.46 31.59 1pmx n ARG 37 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1pmx n ALA 38 N -3.00 -1.47 -1.19 2.89 0.00 -1.26 -4.97 120.51 111.51 1pmx n ALA 38 Ca 0.00 -0.55 -0.31 0.00 0.00 0.00 0.00 53.44 52.58 1pmx n ALA 38 Cb 0.00 -2.04 0.10 0.00 0.00 0.00 0.00 19.45 17.52 1pmx n ALA 38 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1pmx s PRO 39 N -4.15 2.08 -0.09 0.00 0.04 -1.26 -4.87 135.00 126.75 1pmx s PRO 39 Ca 0.63 1.21 -0.22 0.00 0.04 0.00 0.00 61.00 62.66 1pmx s PRO 39 Cb -0.23 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 1pmx s PRO 39 CO 0.61 -1.78 0.64 1.14 0.04 0.00 0.00 177.00 177.65 1pmx s GLN 40 N -4.87 4.39 0.31 4.56 -2.07 -1.26 -5.05 119.66 115.66 1pmx s GLN 40 Ca 0.62 0.75 0.05 0.00 -1.82 0.00 0.00 55.36 54.96 1pmx s GLN 40 Cb -0.18 -3.46 -0.02 0.00 -1.09 0.00 0.00 33.01 28.26 1pmx s GLN 40 CO 0.56 0.05 0.19 0.25 -1.32 0.00 0.00 175.29 175.03 1pmx n THR 41 N 3.86 0.00 0.00 3.63 -2.24 -1.26 -5.15 114.28 113.12 1pmx n THR 41 Ca -0.03 -2.07 0.00 0.00 -2.27 0.00 0.00 64.05 59.68 1pmx n THR 41 Cb 0.51 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 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 -0.48 0.74 0.04 3.38 0.00 -1.23 -4.83 105.19 102.81 1pmx n GLY 42 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.57 0.33 -0.61 3.06 -1.26 -4.25 119.36 117.19 1pmx n ILE 43 Ca 0.00 -0.55 -0.17 0.00 -2.50 0.00 0.00 62.75 59.53 1pmx n ILE 43 Cb 0.00 -0.24 -0.09 0.00 0.54 0.00 0.00 39.64 39.85 1pmx n ILE 43 CO 0.00 0.00 0.00 0.58 -2.50 0.00 0.00 176.55 174.63 1pmx h VAL 44 N 0.00 0.00 0.00 9.51 2.07 -1.94 0.57 116.25 126.46 1pmx h VAL 44 Ca -0.22 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1pmx h VAL 44 Cb 1.41 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1pmx h VAL 44 CO 0.01 0.00 0.00 0.44 0.02 0.00 0.00 177.57 178.04 1pmx h ASP 45 N -1.00 0.00 0.39 0.57 3.32 -1.95 0.88 116.42 118.62 1pmx h ASP 45 Ca -0.08 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.66 1pmx h ASP 45 Cb 0.83 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.34 1pmx h ASP 45 CO 0.03 0.00 -1.79 1.21 -1.72 0.00 0.00 179.24 176.96 1pmx n GLU 46 N -2.63 0.67 -0.01 3.56 4.07 -0.84 -4.00 120.64 121.46 1pmx n GLU 46 Ca 0.00 0.29 -0.01 0.00 -0.06 0.00 0.00 57.16 57.38 1pmx n GLU 46 Cb 0.18 -1.77 -0.01 0.00 -0.06 0.00 0.00 31.44 29.78 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 -0.55 0.83 -3.29 0.00 -1.00 -1.54 -3.46 116.94 107.93 1pmx h PHE 49 Ca -0.10 -0.40 -0.37 0.00 2.81 0.00 0.00 57.97 59.91 1pmx h PHE 49 Cb 1.45 -0.11 -0.15 0.00 3.61 0.00 0.00 35.95 40.75 1pmx h PHE 49 CO 0.22 1.21 -0.72 -0.98 -1.61 0.00 0.00 178.31 176.43 1pmx s ARG 50 N -3.52 1.12 -0.05 1.51 1.70 -1.26 -5.06 118.95 113.39 1pmx s ARG 50 Ca -0.08 -1.45 -0.30 0.00 -0.47 0.00 0.00 55.73 53.43 1pmx s ARG 50 Cb 0.09 -0.78 -0.02 0.00 -0.57 0.00 0.00 34.95 33.67 1pmx s ARG 50 CO 0.88 0.11 1.05 -1.54 -1.08 0.00 0.00 175.30 174.73 1pmx s SER 51 N -3.10 7.24 0.00 -2.89 1.04 -1.26 -3.31 113.70 111.41 1pmx s SER 51 Ca 0.17 1.66 0.00 0.00 0.48 0.00 0.00 55.95 58.26 1pmx s SER 51 Cb 0.01 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.56 1pmx s SER 51 CO 0.02 -0.42 0.00 0.00 0.98 0.00 0.00 173.24 173.83 1pmx s ASP 53 N 0.83 4.49 -0.01 0.00 -4.77 -1.26 -4.97 116.67 110.97 1pmx s ASP 53 Ca 0.00 -1.23 0.15 0.00 -3.30 0.00 0.00 52.55 48.16 1pmx s ASP 53 Cb 0.00 0.07 -0.20 0.00 -1.09 0.00 0.00 42.92 41.70 1pmx s ASP 53 CO 0.00 -0.84 0.68 0.18 0.70 0.00 0.00 175.17 175.89 1pmx n LEU 54 N -1.48 0.79 0.16 2.11 7.99 -1.26 -4.06 117.00 121.25 1pmx n LEU 54 Ca -0.04 0.36 0.18 0.00 -0.01 0.00 0.00 56.01 56.50 1pmx n LEU 54 Cb 0.65 0.16 0.79 0.00 -0.11 0.00 0.00 43.42 44.91 1pmx n LEU 54 CO 0.41 0.29 1.16 0.03 -1.51 0.00 0.00 177.39 177.78 1pmx h ARG 55 N 0.00 0.00 0.00 3.23 3.08 -2.03 0.20 114.38 118.85 1pmx h ARG 55 Ca -0.25 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 1pmx h ARG 55 Cb 1.85 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.90 1pmx h ARG 55 CO 0.06 0.00 -0.05 0.00 -1.07 0.00 0.00 179.97 178.91 1pmx h ARG 56 N 0.00 0.00 -0.87 0.04 2.47 -2.01 -2.34 114.38 111.68 1pmx h ARG 56 Ca 0.12 0.00 0.11 0.00 -1.26 0.00 0.00 59.98 58.95 1pmx h ARG 56 Cb 0.67 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.92 1pmx h ARG 56 CO -0.00 0.05 0.56 -0.07 0.56 0.00 0.00 179.97 181.07 1pmx h LEU 57 N 0.00 0.72 -1.32 3.04 3.38 -1.21 -0.59 115.31 119.33 1pmx h LEU 57 Ca -0.00 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1pmx h LEU 57 Cb 0.10 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1pmx h LEU 57 CO 0.01 0.41 -0.19 -0.33 0.09 0.00 0.00 178.44 178.42 1pmx h GLU 58 N 0.79 0.22 0.26 1.13 5.08 -1.59 -3.05 114.58 117.41 1pmx h GLU 58 Ca 0.41 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.70 1pmx h GLU 58 Cb 0.51 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1pmx h GLU 58 CO -0.18 0.41 -0.13 0.52 -1.00 0.00 0.00 179.01 178.64 1pmx h MET 59 N 0.20 -0.34 -0.17 2.33 2.86 -1.21 -2.77 114.93 115.83 1pmx h MET 59 Ca 0.04 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.75 1pmx h MET 59 Cb 0.46 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 1pmx h MET 59 CO 0.03 -0.11 0.18 1.88 1.06 0.00 0.00 176.91 179.95 1pmx h TYR 60 N -0.52 0.00 -2.66 -0.22 0.05 -1.46 -3.42 116.97 108.74 1pmx h TYR 60 Ca -0.04 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.22 1pmx h TYR 60 Cb 0.38 0.00 0.06 0.00 1.01 0.00 0.00 36.73 38.19 1pmx h TYR 60 CO -0.01 0.00 0.98 0.00 -1.05 0.00 0.00 178.16 178.08 1pmx n ALA 62 N 3.78 -3.15 0.05 0.00 0.00 -1.24 -4.95 120.51 115.00 1pmx n ALA 62 Ca 0.16 -1.17 -0.07 0.00 0.00 0.00 0.00 53.44 52.35 1pmx n ALA 62 Cb 0.34 -1.88 -0.12 0.00 0.00 0.00 0.00 19.45 17.79 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 -2.48 0.01 -7.07 0.00 0.13 -1.93 -3.47 132.00 117.18 1pmx h PRO 63 Ca -0.59 -0.01 -0.56 0.00 -0.87 0.00 0.00 66.00 63.97 1pmx h PRO 63 Cb 1.34 0.00 0.16 0.00 0.13 0.00 0.00 31.00 32.63 1pmx h PRO 63 CO 0.46 0.94 0.49 1.47 -0.23 0.00 0.00 178.00 181.13 1pmx n LEU 64 N -3.32 5.78 -3.75 1.56 -0.00 -1.26 -5.04 117.00 110.97 1pmx n LEU 64 Ca -0.02 0.84 -0.10 0.00 -0.00 0.00 0.00 56.01 56.73 1pmx n LEU 64 Cb 0.95 -1.54 -0.06 0.00 -0.00 0.00 0.00 43.42 42.77 1pmx n LEU 64 CO 0.47 -1.03 0.03 -1.59 -0.00 0.00 0.00 177.39 175.27 1pmx s LYS 65 N -3.26 0.90 0.15 1.47 -2.85 -1.26 -4.71 119.74 110.18 1pmx s LYS 65 Ca 0.81 -0.70 -0.30 0.00 -1.00 0.00 0.00 55.97 54.78 1pmx s LYS 65 Cb -0.39 0.39 -0.07 0.00 -2.06 0.00 0.00 37.83 35.70 1pmx s LYS 65 CO 0.42 -0.31 1.12 -1.25 0.10 0.00 0.00 175.35 175.43 1pmx s PRO 66 N -3.31 4.56 0.16 1.78 0.04 -1.26 -4.79 135.00 132.17 1pmx s PRO 66 Ca 0.00 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1pmx s PRO 66 Cb 0.02 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.26 1pmx s PRO 66 CO -0.08 -0.00 0.00 0.00 0.04 0.00 0.00 177.00 176.96 1pmx n ALA 67 N 2.70 0.00 0.00 8.56 0.00 -1.26 -5.05 120.51 125.46 1pmx n ALA 67 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1pmx n ALA 67 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1pmx n ALA 67 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1pmx n LYS 68 N -2.81 0.00 -3.71 0.00 4.81 -1.26 -5.11 118.16 110.07 1pmx n LYS 68 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.10 1pmx n LYS 68 Cb 0.00 -0.07 -0.05 0.00 0.02 0.00 0.00 35.03 34.92 1pmx n LYS 68 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1pmx s SER 69 N -3.50 6.52 0.00 3.14 0.01 -1.26 -5.28 113.70 113.33 1pmx s SER 69 Ca 0.00 0.60 0.00 0.00 1.31 0.00 0.00 55.95 57.86 1pmx s SER 69 Cb 0.00 -2.10 0.00 0.00 0.21 0.00 0.00 66.02 64.13 1pmx s SER 69 CO 0.00 0.20 0.00 0.00 0.41 0.00 0.00 173.24 173.85