#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pmx n PRO 2 N 0.00 -0.29 -2.65 1.61 -0.04 -1.26 -4.95 135.00 127.43 1pmx n PRO 2 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 1pmx n PRO 2 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 1pmx n PRO 2 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1pmx s GLU 3 N -2.69 3.27 0.46 0.54 8.01 -1.26 -5.00 118.70 122.03 1pmx s GLU 3 Ca 0.00 -0.24 0.04 0.00 0.01 0.00 0.00 54.97 54.78 1pmx s GLU 3 Cb 0.00 -4.14 -0.05 0.00 -4.31 0.00 0.00 34.13 25.64 1pmx s GLU 3 CO 0.00 -1.90 0.01 0.95 0.01 0.00 0.00 175.26 174.32 1pmx s THR 4 N 5.05 1.58 -0.23 3.63 -4.23 -1.26 -4.38 115.64 115.79 1pmx s THR 4 Ca 0.34 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.83 1pmx s THR 4 Cb -0.10 -2.58 0.07 0.00 1.34 0.00 0.00 72.50 71.23 1pmx s THR 4 CO 0.17 0.00 0.05 -0.22 -0.54 0.00 0.00 174.62 174.08 1pmx s LEU 5 N -3.80 1.52 0.09 4.79 2.96 -1.26 -5.04 118.68 117.94 1pmx s LEU 5 Ca 0.20 -1.08 -0.01 0.00 -0.22 0.00 0.00 54.13 53.02 1pmx s LEU 5 Cb 0.06 -0.69 -0.04 0.00 0.50 0.00 0.00 46.19 46.01 1pmx s LEU 5 CO 0.11 -0.34 0.01 0.00 -1.32 0.00 0.00 176.35 174.81 1pmx n GLY 7 N 0.02 1.24 0.27 0.00 0.00 -1.26 -3.00 105.19 102.46 1pmx n GLY 7 Ca -0.10 -0.71 0.08 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.51 1.97 -0.80 4.61 0.00 -1.98 -2.03 119.26 120.52 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 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1pmx h ALA 8 CO 0.00 0.02 0.51 0.93 0.00 0.00 0.00 179.25 180.71 1pmx h GLU 9 N 0.10 1.06 -0.28 0.00 5.08 -1.93 0.81 114.58 119.42 1pmx h GLU 9 Ca 0.04 -0.08 -0.14 0.00 -1.00 0.00 0.00 59.36 58.18 1pmx h GLU 9 Cb 0.03 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 1pmx h GLU 9 CO -0.01 0.73 -0.37 1.25 -1.00 0.00 0.00 179.01 179.61 1pmx h LEU 10 N 1.08 0.81 -0.52 1.33 5.85 -1.44 -2.14 115.31 120.27 1pmx h LEU 10 Ca 0.29 -0.50 -0.16 0.00 0.84 0.00 0.00 57.88 58.34 1pmx h LEU 10 Cb -0.09 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.70 1pmx h LEU 10 CO -0.06 1.15 -0.68 0.58 -0.34 0.00 0.00 178.44 179.09 1pmx h VAL 11 N 0.49 1.40 -0.03 1.05 2.07 -1.19 -2.71 116.25 117.34 1pmx h VAL 11 Ca 0.03 -2.12 -0.12 0.00 0.82 0.00 0.00 66.70 65.32 1pmx h VAL 11 Cb 0.96 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.81 1pmx h VAL 11 CO 0.09 0.63 -0.52 0.44 0.02 0.00 0.00 177.57 178.22 1pmx h ASP 12 N 0.20 0.08 -0.04 0.57 3.32 0.67 -1.80 116.42 119.42 1pmx h ASP 12 Ca -0.02 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 1pmx h ASP 12 Cb 1.22 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1pmx h ASP 12 CO 0.11 0.59 -0.22 0.00 -1.72 0.00 0.00 179.24 178.00 1pmx h ALA 13 N 1.41 0.08 0.02 3.45 0.00 -1.31 -1.79 119.26 121.13 1pmx h ALA 13 Ca -0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1pmx h ALA 13 Cb 0.94 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1pmx h ALA 13 CO 0.07 0.07 -0.01 -0.07 0.00 0.00 0.00 179.25 179.31 1pmx h LEU 14 N -0.34 -0.03 -1.68 0.00 3.38 -1.48 0.31 115.31 115.48 1pmx h LEU 14 Ca -0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1pmx h LEU 14 Cb 0.88 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1pmx h LEU 14 CO 0.04 0.10 0.05 0.06 0.09 0.00 0.00 178.44 178.79 1pmx h GLN 15 N -0.15 0.26 0.05 1.13 -0.00 -1.42 0.83 115.11 115.80 1pmx h GLN 15 Ca -0.00 -0.03 -0.25 0.00 -0.00 0.00 0.00 58.65 58.37 1pmx h GLN 15 Cb 0.14 -0.05 0.01 0.00 -0.00 0.00 0.00 27.48 27.58 1pmx h GLN 15 CO 0.01 0.24 -1.05 0.35 -0.00 0.00 0.00 178.83 178.37 1pmx h PHE 16 N 0.26 0.67 0.00 0.06 3.57 -0.90 -1.99 116.94 118.61 1pmx h PHE 16 Ca 0.07 -0.39 0.00 0.00 3.53 0.00 0.00 57.97 61.17 1pmx h PHE 16 Cb 0.09 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1pmx h PHE 16 CO 0.00 1.24 -0.10 0.28 -2.23 0.00 0.00 178.31 177.50 1pmx h VAL 17 N 0.21 0.00 0.06 1.41 2.07 0.24 -3.42 116.25 116.82 1pmx h VAL 17 Ca -0.11 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 1pmx h VAL 17 Cb 1.71 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1pmx h VAL 17 CO 0.18 0.00 -0.03 0.00 0.02 0.00 0.00 177.57 177.75 1pmx n GLY 19 N 0.54 3.78 0.34 0.00 0.00 -0.75 -1.54 105.19 107.56 1pmx n GLY 19 Ca -0.09 0.02 0.18 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.28 1.61 5.19 -1.92 -1.66 116.42 119.36 1pmx h ASP 20 Ca 0.00 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.49 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 0.00 0.29 0.03 -3.12 0.00 0.00 179.24 176.44 1pmx h ARG 21 N 0.00 0.00 -2.95 3.56 3.08 -1.59 -3.47 114.38 113.00 1pmx h ARG 21 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1pmx h ARG 21 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1pmx h ARG 21 CO -0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1pmx n GLY 22 N -1.45 -2.82 3.85 0.04 0.00 -0.62 -3.77 105.19 100.41 1pmx n GLY 22 Ca 0.04 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 3.40 -0.03 1.61 -0.12 -1.26 -3.47 117.98 118.10 1pmx s PHE 23 Ca 0.00 1.28 0.03 0.00 -0.05 0.00 0.00 56.93 58.18 1pmx s PHE 23 Cb 0.00 -2.60 0.01 0.00 -0.63 0.00 0.00 43.02 39.79 1pmx s PHE 23 CO 0.00 -0.06 -0.10 1.52 -0.05 0.00 0.00 175.22 176.53 1pmx s TYR 24 N -2.21 1.06 -0.01 3.49 -0.85 -1.22 -5.04 117.35 112.57 1pmx s TYR 24 Ca 0.55 -0.29 -0.07 0.00 -0.52 0.00 0.00 57.07 56.75 1pmx s TYR 24 Cb -0.10 -0.77 -0.04 0.00 0.38 0.00 0.00 41.96 41.44 1pmx s TYR 24 CO 0.22 -0.13 0.55 0.74 -1.52 0.00 0.00 175.55 175.41 1pmx h PHE 25 N 6.50 -0.23 -2.91 -3.49 -1.00 -1.98 -3.44 116.94 110.38 1pmx h PHE 25 Ca -0.33 -0.01 -0.53 0.00 2.81 0.00 0.00 57.97 59.91 1pmx h PHE 25 Cb 1.17 0.08 0.02 0.00 3.61 0.00 0.00 35.95 40.83 1pmx h PHE 25 CO 0.45 -0.14 0.81 1.21 -1.61 0.00 0.00 178.31 179.02 1pmx s ASN 26 N -3.50 6.77 0.19 2.17 3.04 -1.26 -3.91 114.94 118.44 1pmx s ASN 26 Ca -0.04 2.34 0.04 0.00 0.04 0.00 0.00 52.86 55.24 1pmx s ASN 26 Cb 0.00 -2.58 -0.03 0.00 -1.54 0.00 0.00 41.25 37.10 1pmx s ASN 26 CO 0.11 -0.72 0.28 -0.54 -3.04 0.00 0.00 177.10 173.19 1pmx s LYS 27 N 1.62 3.32 0.48 0.43 -0.14 -1.26 -5.08 119.74 119.11 1pmx s LYS 27 Ca 0.66 -0.73 -0.24 0.00 -1.36 0.00 0.00 55.97 54.30 1pmx s LYS 27 Cb -0.37 -2.86 -0.08 0.00 -1.68 0.00 0.00 37.83 32.85 1pmx s LYS 27 CO 0.30 0.47 1.38 -0.35 -0.76 0.00 0.00 175.35 176.39 1pmx n PRO 28 N -0.87 2.01 0.01 -1.68 -0.04 -1.26 -4.95 135.00 128.22 1pmx n PRO 28 Ca -0.08 0.72 -0.22 0.00 -0.04 0.00 0.00 63.50 63.89 1pmx n PRO 28 Cb 0.55 -2.57 -0.14 0.00 -0.04 0.00 0.00 33.50 31.31 1pmx n PRO 28 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pmx h THR 29 N 1.97 0.96 -1.33 0.52 1.03 -2.02 -3.50 112.91 110.54 1pmx h THR 29 Ca -0.50 -2.39 0.07 0.00 -0.01 0.00 0.00 66.41 63.58 1pmx h THR 29 Cb 1.29 2.66 -0.01 0.00 -1.07 0.00 0.00 68.15 71.02 1pmx h THR 29 CO 0.59 0.72 0.19 0.61 -0.01 0.00 0.00 175.52 177.62 1pmx n GLY 30 N 1.77 0.51 0.10 2.99 0.00 -1.26 -5.08 105.19 104.22 1pmx n GLY 30 Ca -0.26 -0.87 -0.14 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.19 0.23 -2.23 1.61 4.02 -1.26 -4.73 117.16 114.61 1pmx n TYR 31 Ca 0.01 0.10 -0.33 0.00 -0.01 0.00 0.00 57.90 57.67 1pmx n TYR 31 Cb 0.12 -0.70 -0.04 0.00 -0.02 0.00 0.00 39.34 38.69 1pmx n TYR 31 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1pmx s GLY 32 N -4.93 0.63 -0.21 2.72 0.00 -1.26 -4.83 107.32 99.45 1pmx s GLY 32 Ca -0.29 -2.35 -0.04 0.00 0.00 0.00 0.00 44.72 42.04 1pmx s GLY 32 CO 0.42 3.29 0.35 -0.56 0.00 0.00 0.00 173.10 176.60 1pmx s SER 33 N 5.87 0.27 -0.22 1.64 0.01 -1.26 -5.02 113.70 114.98 1pmx s SER 33 Ca 0.64 0.44 0.03 0.00 1.31 0.00 0.00 55.95 58.36 1pmx s SER 33 Cb 0.00 1.02 -0.15 0.00 0.21 0.00 0.00 66.02 67.10 1pmx s SER 33 CO 0.10 -0.27 -0.18 -1.54 0.41 0.00 0.00 173.24 171.76 1pmx n SER 34 N 5.36 2.16 -4.62 2.44 3.41 -1.26 -4.90 113.62 116.22 1pmx n SER 34 Ca -0.06 -0.11 -0.43 0.00 -0.26 0.00 0.00 58.87 58.01 1pmx n SER 34 Cb 0.50 -0.26 -0.02 0.00 -0.26 0.00 0.00 64.21 64.17 1pmx n SER 34 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1pmx s SER 35 N -6.07 6.67 0.59 4.04 0.01 -1.26 -5.02 113.70 112.66 1pmx s SER 35 Ca -0.28 0.79 -0.10 0.00 1.31 0.00 0.00 55.95 57.66 1pmx s SER 35 Cb 0.07 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 1pmx s SER 35 CO 0.53 -1.16 0.99 0.00 0.41 0.00 0.00 173.24 174.01 1pmx s ARG 36 N 4.28 3.60 0.29 12.44 1.04 -1.26 -5.09 118.95 134.26 1pmx s ARG 36 Ca 0.51 0.67 -0.03 0.00 -1.04 0.00 0.00 55.73 55.83 1pmx s ARG 36 Cb -0.11 -2.13 0.01 0.00 -2.04 0.00 0.00 34.95 30.68 1pmx s ARG 36 CO 0.26 -0.50 0.44 2.89 -0.04 0.00 0.00 175.30 178.35 1pmx n ARG 37 N -2.63 0.63 -3.50 3.89 1.85 -1.26 -5.11 116.66 110.53 1pmx n ARG 37 Ca 0.05 -2.25 -0.31 0.00 -1.00 0.00 0.00 57.85 54.34 1pmx n ARG 37 Cb 0.54 2.24 -0.07 0.00 -1.05 0.00 0.00 32.46 34.11 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 -1.09 4.04 -1.91 2.89 0.00 -1.26 -5.09 120.51 118.10 1pmx n ALA 38 Ca -0.12 -4.70 -0.28 0.00 0.00 0.00 0.00 53.44 48.34 1pmx n ALA 38 Cb 0.49 -1.25 0.10 0.00 0.00 0.00 0.00 19.45 18.79 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 -2.14 1.85 -0.37 0.00 0.04 -1.26 -5.09 135.00 128.04 1pmx s PRO 39 Ca 0.34 -0.03 0.07 0.00 0.04 0.00 0.00 61.00 61.41 1pmx s PRO 39 Cb 0.06 -1.98 0.18 0.00 0.04 0.00 0.00 34.50 32.80 1pmx s PRO 39 CO -0.05 -1.62 0.58 1.14 0.04 0.00 0.00 177.00 177.09 1pmx s GLN 40 N -5.55 0.71 -0.30 4.56 -2.07 -1.26 -5.13 119.66 110.62 1pmx s GLN 40 Ca 0.63 -0.07 -0.17 0.00 -1.82 0.00 0.00 55.36 53.93 1pmx s GLN 40 Cb -0.10 0.04 0.20 0.00 -1.09 0.00 0.00 33.01 32.06 1pmx s GLN 40 CO 0.49 -1.14 1.24 -0.08 -1.32 0.00 0.00 175.29 174.47 1pmx s THR 41 N 2.12 -0.06 0.00 3.63 -1.32 -1.26 -5.01 115.64 113.75 1pmx s THR 41 Ca 0.14 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.62 1pmx s THR 41 Cb -0.07 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.92 1pmx s THR 41 CO -0.13 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 172.89 1pmx n GLY 42 N 3.87 2.58 0.33 6.08 0.00 -1.26 -4.57 105.19 112.22 1pmx n GLY 42 Ca -0.12 0.12 0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 1.05 0.57 -0.61 6.09 -1.92 0.15 117.51 122.83 1pmx h ILE 43 Ca 0.00 -0.21 -0.03 0.00 -1.37 0.00 0.00 64.86 63.25 1pmx h ILE 43 Cb 0.00 0.37 0.01 0.00 0.47 0.00 0.00 36.82 37.66 1pmx h ILE 43 CO 0.00 0.11 -0.27 0.58 -3.07 0.00 0.00 178.15 175.50 1pmx h VAL 44 N 0.63 0.00 0.00 2.19 2.07 -1.93 0.82 116.25 120.03 1pmx h VAL 44 Ca 0.23 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 1pmx h VAL 44 Cb 0.15 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.91 1pmx h VAL 44 CO -0.06 0.00 -0.07 0.44 0.02 0.00 0.00 177.57 177.89 1pmx h ASP 45 N -0.95 0.00 0.41 0.57 5.19 -1.91 0.87 116.42 120.61 1pmx h ASP 45 Ca -0.08 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.03 1pmx h ASP 45 Cb 0.58 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.05 1pmx h ASP 45 CO 0.13 0.07 -1.79 1.21 -3.12 0.00 0.00 179.24 175.74 1pmx n GLU 46 N -3.58 0.65 -0.06 3.56 4.07 0.50 -3.96 120.64 121.82 1pmx n GLU 46 Ca -0.02 0.28 -0.12 0.00 -0.06 0.00 0.00 57.16 57.23 1pmx n GLU 46 Cb 0.19 -1.77 -0.05 0.00 -0.06 0.00 0.00 31.44 29.76 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 -0.32 0.00 -4.34 0.00 -1.00 -1.27 -3.44 116.94 106.57 1pmx h PHE 49 Ca -0.02 -0.00 -0.60 0.00 2.81 0.00 0.00 57.97 60.17 1pmx h PHE 49 Cb 0.26 -0.00 -0.28 0.00 3.61 0.00 0.00 35.95 39.54 1pmx h PHE 49 CO -0.02 0.27 -0.85 -0.98 -1.61 0.00 0.00 178.31 175.12 1pmx s ARG 50 N -5.12 1.57 0.20 1.51 1.70 -1.21 -5.06 118.95 112.53 1pmx s ARG 50 Ca -0.15 -0.81 -0.33 0.00 -0.47 0.00 0.00 55.73 53.98 1pmx s ARG 50 Cb 0.04 -1.58 -0.13 0.00 -0.57 0.00 0.00 34.95 32.70 1pmx s ARG 50 CO 0.67 0.42 1.58 -1.13 -1.08 0.00 0.00 175.30 175.77 1pmx n SER 51 N 2.31 3.32 -0.60 -2.89 3.41 -1.24 -3.09 113.62 114.84 1pmx n SER 51 Ca -0.16 1.09 0.00 0.00 -0.26 0.00 0.00 58.87 59.55 1pmx n SER 51 Cb 0.53 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.00 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 0.34 3.45 0.57 0.00 -4.77 -1.26 -5.01 116.67 109.99 1pmx s ASP 53 Ca 0.00 -0.41 0.27 0.00 -3.30 0.00 0.00 52.55 49.10 1pmx s ASP 53 Cb 0.00 -1.03 1.52 0.00 -1.09 0.00 0.00 42.92 42.32 1pmx s ASP 53 CO 0.00 0.24 2.04 -0.07 0.70 0.00 0.00 175.17 178.08 1pmx h LEU 54 N 6.09 0.00 -2.28 2.11 -0.00 -2.01 -0.85 115.31 118.37 1pmx h LEU 54 Ca -0.33 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.58 1pmx h LEU 54 Cb 1.18 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.84 1pmx h LEU 54 CO 0.49 0.00 0.11 0.03 -0.00 0.00 0.00 178.44 179.07 1pmx h ARG 55 N 0.00 0.00 0.00 1.13 -0.00 -2.04 -0.58 114.38 112.89 1pmx h ARG 55 Ca 0.15 0.00 -0.04 0.00 -0.50 0.00 0.00 59.98 59.59 1pmx h ARG 55 Cb 0.72 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.69 1pmx h ARG 55 CO -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 179.97 179.79 1pmx h ARG 56 N 0.00 0.00 -0.43 0.04 2.47 -1.58 -2.63 114.38 112.25 1pmx h ARG 56 Ca 0.05 0.00 0.11 0.00 -1.26 0.00 0.00 59.98 58.88 1pmx h ARG 56 Cb 0.27 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.57 1pmx h ARG 56 CO -0.00 0.18 0.31 -0.07 0.56 0.00 0.00 179.97 180.94 1pmx h LEU 57 N 0.00 0.08 -1.14 3.04 3.38 -1.27 -0.42 115.31 118.98 1pmx h LEU 57 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1pmx h LEU 57 Cb 0.39 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1pmx h LEU 57 CO 0.02 0.05 -0.41 -0.33 0.09 0.00 0.00 178.44 177.86 1pmx h GLU 58 N 0.09 0.03 -0.58 1.13 5.08 -1.64 -3.01 114.58 115.69 1pmx h GLU 58 Ca 0.20 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.45 1pmx h GLU 58 Cb 0.69 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1pmx h GLU 58 CO -0.02 0.44 -0.01 0.52 -1.00 0.00 0.00 179.01 178.94 1pmx h MET 59 N 0.03 1.02 0.00 2.33 2.86 -1.22 -2.85 114.93 117.11 1pmx h MET 59 Ca -0.00 -0.32 -0.05 0.00 -2.06 0.00 0.00 59.70 57.27 1pmx h MET 59 Cb 0.74 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 1pmx h MET 59 CO 0.05 1.01 -0.23 1.88 1.06 0.00 0.00 176.91 180.68 1pmx h TYR 60 N 0.94 0.00 -3.74 -0.22 -1.99 -1.53 -3.44 116.97 106.99 1pmx h TYR 60 Ca 0.17 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.37 1pmx h TYR 60 Cb 0.56 0.00 0.07 0.00 2.00 0.00 0.00 36.73 39.36 1pmx h TYR 60 CO 0.04 0.23 0.70 0.00 -0.00 0.00 0.00 178.16 179.13 1pmx s ALA 62 N -0.78 0.04 -0.07 0.00 0.00 -1.23 -4.97 121.76 114.75 1pmx s ALA 62 Ca 0.53 -0.56 0.13 0.00 0.00 0.00 0.00 51.96 52.06 1pmx s ALA 62 Cb -0.42 -3.05 -0.07 0.00 0.00 0.00 0.00 23.12 19.58 1pmx s ALA 62 CO 0.52 -3.73 1.21 -1.00 0.00 0.00 0.00 175.76 172.76 1pmx h PRO 63 N -2.63 0.00 -7.04 0.00 0.13 -1.94 -3.47 132.00 117.05 1pmx h PRO 63 Ca -0.52 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.20 1pmx h PRO 63 Cb 1.33 0.00 0.22 0.00 0.13 0.00 0.00 31.00 32.68 1pmx h PRO 63 CO 0.44 0.57 -0.10 1.47 -0.23 0.00 0.00 178.00 180.15 1pmx n LEU 64 N -3.17 -1.21 -4.17 1.56 -0.00 -1.26 -5.07 117.00 103.69 1pmx n LEU 64 Ca -0.03 -0.52 -0.10 0.00 -0.00 0.00 0.00 56.01 55.36 1pmx n LEU 64 Cb 0.83 -1.14 -0.10 0.00 -0.00 0.00 0.00 43.42 43.01 1pmx n LEU 64 CO 0.43 -3.97 -0.35 -1.59 -0.00 0.00 0.00 177.39 171.90 1pmx s LYS 65 N -4.70 0.87 0.03 1.47 0.00 -1.26 -4.80 119.74 111.35 1pmx s LYS 65 Ca 0.69 -1.38 -0.27 0.00 0.00 0.00 0.00 55.97 55.01 1pmx s LYS 65 Cb -0.20 -0.06 -0.05 0.00 0.00 0.00 0.00 37.83 37.52 1pmx s LYS 65 CO 0.62 -0.10 0.84 -1.25 0.00 0.00 0.00 175.35 175.46 1pmx s PRO 66 N -3.91 4.54 0.62 1.78 0.04 -1.26 -4.94 135.00 131.87 1pmx s PRO 66 Ca 0.16 1.19 -0.15 0.00 0.04 0.00 0.00 61.00 62.23 1pmx s PRO 66 Cb 0.06 -3.40 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 1pmx s PRO 66 CO -0.03 0.17 1.07 0.00 0.04 0.00 0.00 177.00 178.25 1pmx s ALA 67 N 0.30 2.68 -0.31 8.56 0.00 -1.26 -5.04 121.76 126.69 1pmx s ALA 67 Ca 0.43 0.40 -0.13 0.00 0.00 0.00 0.00 51.96 52.66 1pmx s ALA 67 Cb -0.21 -3.25 0.19 0.00 0.00 0.00 0.00 23.12 19.85 1pmx s ALA 67 CO 0.25 -0.94 1.12 -1.59 0.00 0.00 0.00 175.76 174.60 1pmx s LYS 68 N -4.15 0.07 0.34 0.00 0.00 -1.26 -5.16 119.74 109.58 1pmx s LYS 68 Ca 0.64 0.01 -0.26 0.00 0.00 0.00 0.00 55.97 56.36 1pmx s LYS 68 Cb -0.17 0.02 -0.09 0.00 0.00 0.00 0.00 37.83 37.58 1pmx s LYS 68 CO 0.39 -0.11 1.01 0.45 0.00 0.00 0.00 175.35 177.09 1pmx s SER 69 N 2.46 7.15 0.00 0.03 0.15 -1.26 -5.34 113.70 116.89 1pmx s SER 69 Ca 0.22 1.98 0.00 0.00 0.70 0.00 0.00 55.95 58.86 1pmx s SER 69 Cb 0.02 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1pmx s SER 69 CO -0.19 -0.21 0.00 0.00 1.20 0.00 0.00 173.24 174.04