#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 -0.58 -2.68 1.61 -0.04 -1.26 -4.93 135.00 127.12 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 -2.61 3.23 0.06 0.54 8.01 -1.26 -4.97 118.70 121.70 1pmx s GLU 3 Ca 0.00 -0.34 0.01 0.00 0.01 0.00 0.00 54.97 54.65 1pmx s GLU 3 Cb 0.00 -4.15 -0.00 0.00 -4.31 0.00 0.00 34.13 25.66 1pmx s GLU 3 CO 0.00 -1.91 0.02 0.25 0.01 0.00 0.00 175.26 173.63 1pmx n THR 4 N 6.27 0.00 -3.62 3.63 -2.24 -1.26 -4.47 114.28 112.60 1pmx n THR 4 Ca 0.02 -0.35 -0.25 0.00 -2.27 0.00 0.00 64.05 61.20 1pmx n THR 4 Cb 0.48 0.12 -0.17 0.00 -2.10 0.00 0.00 70.33 68.66 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 0.28 0.09 3.22 2.96 -1.25 -5.02 118.68 118.96 1pmx s LEU 5 Ca 0.03 -0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 53.46 1pmx s LEU 5 Cb 0.00 -0.19 -0.04 0.00 0.50 0.00 0.00 46.19 46.46 1pmx s LEU 5 CO 0.02 -0.33 0.02 0.00 -1.32 0.00 0.00 176.35 174.74 1pmx n GLY 7 N -0.00 3.04 0.31 0.00 0.00 -1.26 -2.14 105.19 105.14 1pmx n GLY 7 Ca -0.09 -0.35 0.14 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.00 2.14 -0.93 4.61 0.00 -1.98 -1.40 119.26 120.71 1pmx h ALA 8 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 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 -0.27 0.55 0.93 0.00 0.00 0.00 179.25 180.46 1pmx h GLU 9 N 0.00 1.26 -0.12 0.00 5.08 -1.82 0.83 114.58 119.81 1pmx h GLU 9 Ca 0.10 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 1pmx h GLU 9 Cb 0.42 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1pmx h GLU 9 CO -0.00 0.89 -0.28 1.25 -1.00 0.00 0.00 179.01 179.87 1pmx h LEU 10 N 1.28 0.45 -0.90 1.33 5.85 -1.28 -2.65 115.31 119.40 1pmx h LEU 10 Ca 0.33 -0.57 -0.11 0.00 0.84 0.00 0.00 57.88 58.36 1pmx h LEU 10 Cb -0.04 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1pmx h LEU 10 CO -0.06 0.95 -0.49 0.58 -0.34 0.00 0.00 178.44 179.07 1pmx h VAL 11 N -0.02 1.35 -0.33 1.05 2.07 -1.25 -2.75 116.25 116.38 1pmx h VAL 11 Ca -0.00 -1.72 -0.04 0.00 0.82 0.00 0.00 66.70 65.76 1pmx h VAL 11 Cb 0.88 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 1pmx h VAL 11 CO 0.06 0.50 0.03 0.44 0.02 0.00 0.00 177.57 178.62 1pmx h ASP 12 N 0.11 0.54 -0.20 0.57 5.19 0.68 -1.44 116.42 121.86 1pmx h ASP 12 Ca 0.00 -0.28 -0.02 0.00 -0.62 0.00 0.00 57.03 56.12 1pmx h ASP 12 Cb 0.91 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.27 1pmx h ASP 12 CO 0.07 0.68 0.06 0.00 -3.12 0.00 0.00 179.24 176.93 1pmx h ALA 13 N 0.87 0.26 -0.60 3.45 0.00 -1.42 0.38 119.26 122.20 1pmx h ALA 13 Ca 0.10 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1pmx h ALA 13 Cb 0.39 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1pmx h ALA 13 CO 0.01 -0.11 0.36 -0.07 0.00 0.00 0.00 179.25 179.44 1pmx h LEU 14 N 0.14 0.72 -0.04 0.00 3.38 -1.46 0.68 115.31 118.73 1pmx h LEU 14 Ca 0.06 -0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.77 1pmx h LEU 14 Cb 0.24 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1pmx h LEU 14 CO -0.00 0.56 -1.02 1.56 0.09 0.00 0.00 178.44 179.62 1pmx h GLN 15 N 0.83 0.09 0.03 1.13 1.08 -1.03 -0.53 115.11 116.72 1pmx h GLN 15 Ca 0.22 -0.14 -0.22 0.00 -1.45 0.00 0.00 58.65 57.05 1pmx h GLN 15 Cb -0.02 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 1pmx h GLN 15 CO -0.04 1.03 -1.02 0.35 -0.95 0.00 0.00 178.83 178.20 1pmx h PHE 16 N 0.03 0.17 0.00 2.96 3.57 0.44 -2.49 116.94 121.63 1pmx h PHE 16 Ca -0.04 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.34 1pmx h PHE 16 Cb 1.75 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.48 1pmx h PHE 16 CO 0.02 1.05 -0.08 0.28 -2.23 0.00 0.00 178.31 177.35 1pmx h VAL 17 N 0.04 0.00 0.08 1.41 2.07 0.29 -3.42 116.25 116.72 1pmx h VAL 17 Ca -0.05 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1pmx h VAL 17 Cb 1.75 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1pmx h VAL 17 CO 0.15 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.70 1pmx n GLY 19 N -0.05 2.27 0.28 0.00 0.00 -0.94 -2.61 105.19 104.14 1pmx n GLY 19 Ca -0.08 -0.04 0.06 0.00 0.00 0.00 0.00 46.02 45.95 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 10.12 0.83 0.13 1.61 2.03 -1.26 -3.88 116.55 126.12 1pmx n ASP 20 Ca 0.00 -1.81 -0.02 0.00 0.52 0.00 0.00 54.79 53.48 1pmx n ASP 20 Cb 0.00 -0.08 0.17 0.00 -0.72 0.00 0.00 41.12 40.49 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 0.98 0.06 -1.75 -0.67 2.47 -1.82 -3.44 114.38 110.22 1pmx h ARG 21 Ca 0.00 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1pmx h ARG 21 Cb 0.22 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.55 1pmx h ARG 21 CO 0.00 0.64 0.00 0.41 0.56 0.00 0.00 179.97 181.58 1pmx n GLY 22 N 0.21 0.34 3.57 0.04 0.00 -1.25 -4.13 105.19 103.96 1pmx n GLY 22 Ca -0.02 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.58 1.44 -0.09 1.61 -0.12 -1.26 -4.27 117.98 112.71 1pmx s PHE 23 Ca 0.00 1.48 -0.04 0.00 -0.05 0.00 0.00 56.93 58.33 1pmx s PHE 23 Cb 0.00 -3.21 0.05 0.00 -0.63 0.00 0.00 43.02 39.22 1pmx s PHE 23 CO 0.00 -3.41 0.18 1.52 -0.05 0.00 0.00 175.22 173.46 1pmx s TYR 24 N -2.53 -0.23 0.00 3.49 -0.85 -1.22 -4.99 117.35 111.02 1pmx s TYR 24 Ca 0.68 0.63 -0.00 0.00 -0.52 0.00 0.00 57.07 57.86 1pmx s TYR 24 Cb -0.24 -0.12 -0.00 0.00 0.38 0.00 0.00 41.96 41.97 1pmx s TYR 24 CO 0.62 -0.24 1.01 0.74 -1.52 0.00 0.00 175.55 176.16 1pmx h PHE 25 N 7.76 -0.02 -3.34 -3.49 0.04 -1.97 -3.42 116.94 112.51 1pmx h PHE 25 Ca -0.29 -0.00 -0.56 0.00 2.80 0.00 0.00 57.97 59.92 1pmx h PHE 25 Cb 1.13 0.01 -0.05 0.00 2.20 0.00 0.00 35.95 39.24 1pmx h PHE 25 CO 0.41 -0.01 0.32 1.21 -0.60 0.00 0.00 178.31 179.64 1pmx s ASN 26 N -2.11 7.11 0.02 2.17 3.84 -1.26 -4.26 114.94 120.44 1pmx s ASN 26 Ca -0.00 1.35 0.00 0.00 0.21 0.00 0.00 52.86 54.42 1pmx s ASN 26 Cb 0.00 -2.48 -0.02 0.00 -0.55 0.00 0.00 41.25 38.20 1pmx s ASN 26 CO 0.01 -0.28 -0.03 -1.59 -2.79 0.00 0.00 177.10 172.41 1pmx s LYS 27 N 1.43 0.29 0.34 0.43 -2.85 -1.26 -5.13 119.74 112.99 1pmx s LYS 27 Ca 0.43 -0.55 -0.27 0.00 -1.00 0.00 0.00 55.97 54.58 1pmx s LYS 27 Cb -0.18 0.07 -0.09 0.00 -2.06 0.00 0.00 37.83 35.56 1pmx s LYS 27 CO 0.19 -0.04 1.10 -1.25 0.10 0.00 0.00 175.35 175.45 1pmx s PRO 28 N -1.29 4.40 -0.07 1.78 0.04 -1.26 -5.00 135.00 133.60 1pmx s PRO 28 Ca -0.14 1.72 0.05 0.00 0.04 0.00 0.00 61.00 62.67 1pmx s PRO 28 Cb -0.09 -2.91 -0.02 0.00 0.04 0.00 0.00 34.50 31.53 1pmx s PRO 28 CO -0.01 0.02 -0.20 0.95 0.04 0.00 0.00 177.00 177.79 1pmx s THR 29 N -1.36 2.46 -0.90 1.26 -4.23 -1.26 -5.04 115.64 106.58 1pmx s THR 29 Ca 0.51 -0.92 -0.26 0.00 -1.18 0.00 0.00 61.69 59.84 1pmx s THR 29 Cb -0.29 -1.94 -0.14 0.00 1.34 0.00 0.00 72.50 71.47 1pmx s THR 29 CO 0.37 0.57 2.24 -0.83 -0.54 0.00 0.00 174.62 176.42 1pmx s GLY 30 N -0.23 -0.68 0.23 3.99 0.00 -1.26 -4.92 107.32 104.46 1pmx s GLY 30 Ca -0.01 -1.15 -0.12 0.00 0.00 0.00 0.00 44.72 43.45 1pmx s GLY 30 CO 0.03 4.09 0.58 -2.52 0.00 0.00 0.00 173.10 175.28 1pmx s TYR 31 N 14.34 3.46 0.00 1.90 -0.85 -1.26 -4.95 117.35 129.99 1pmx s TYR 31 Ca 0.85 0.98 0.00 0.00 -0.52 0.00 0.00 57.07 58.38 1pmx s TYR 31 Cb -0.09 -2.33 0.00 0.00 0.38 0.00 0.00 41.96 39.91 1pmx s TYR 31 CO 0.09 0.27 0.00 0.41 -1.52 0.00 0.00 175.55 174.80 1pmx n GLY 32 N 0.03 -0.99 0.08 5.49 0.00 -1.26 -5.10 105.19 103.45 1pmx n GLY 32 Ca -0.00 0.27 -0.09 0.00 0.00 0.00 0.00 46.02 46.20 1pmx n GLY 32 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pmx n SER 33 N 0.00 1.86 0.12 1.61 7.64 -1.26 -5.02 113.62 118.57 1pmx n SER 33 Ca 0.00 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1pmx n SER 33 Cb 0.00 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 1pmx n SER 33 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1pmx n SER 34 N -4.53 -1.20 0.00 6.43 3.41 -1.26 -5.11 113.62 111.35 1pmx n SER 34 Ca -0.14 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 1pmx n SER 34 Cb 0.42 1.28 0.00 0.00 -0.26 0.00 0.00 64.21 65.65 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 -3.16 0.00 -4.71 4.04 7.64 -1.26 -5.11 113.62 111.05 1pmx n SER 35 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.49 1pmx n SER 35 Cb 0.00 0.25 -0.06 0.00 -1.01 0.00 0.00 64.21 63.39 1pmx n SER 35 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1pmx s ARG 36 N -0.52 4.34 0.13 1.43 6.06 -1.26 -5.06 118.95 124.07 1pmx s ARG 36 Ca 0.00 0.58 0.05 0.00 -2.50 0.00 0.00 55.73 53.86 1pmx s ARG 36 Cb 0.00 -3.47 -0.04 0.00 0.06 0.00 0.00 34.95 31.50 1pmx s ARG 36 CO 0.00 0.06 -0.11 0.50 -2.50 0.00 0.00 175.30 173.25 1pmx s ARG 37 N 0.91 0.99 0.88 5.12 6.06 -1.26 -5.04 118.95 126.61 1pmx s ARG 37 Ca 0.29 -1.30 -0.11 0.00 -2.50 0.00 0.00 55.73 52.11 1pmx s ARG 37 Cb -0.16 -0.68 0.12 0.00 0.06 0.00 0.00 34.95 34.30 1pmx s ARG 37 CO 0.12 0.11 1.10 0.00 -2.50 0.00 0.00 175.30 174.13 1pmx s ALA 38 N -2.71 1.58 0.34 6.12 0.00 -1.26 -4.97 121.76 120.87 1pmx s ALA 38 Ca 0.11 0.24 -0.28 0.00 0.00 0.00 0.00 51.96 52.03 1pmx s ALA 38 Cb -0.01 -3.30 -0.10 0.00 0.00 0.00 0.00 23.12 19.71 1pmx s ALA 38 CO 0.01 -2.41 1.25 -1.25 0.00 0.00 0.00 175.76 173.36 1pmx s PRO 39 N -4.79 4.31 -0.04 0.00 0.04 -1.26 -5.03 135.00 128.22 1pmx s PRO 39 Ca 0.64 2.09 -0.00 0.00 0.04 0.00 0.00 61.00 63.77 1pmx s PRO 39 Cb -0.20 -2.99 -0.03 0.00 0.04 0.00 0.00 34.50 31.31 1pmx s PRO 39 CO 0.58 -0.18 0.00 -1.14 0.04 0.00 0.00 177.00 176.30 1pmx s GLN 40 N -1.87 2.89 0.13 4.56 2.00 -1.26 -5.12 119.66 121.00 1pmx s GLN 40 Ca 0.50 -0.51 0.01 0.00 -2.00 0.00 0.00 55.36 53.36 1pmx s GLN 40 Cb -0.37 -2.73 -0.00 0.00 0.80 0.00 0.00 33.01 30.70 1pmx s GLN 40 CO 0.48 0.66 0.04 0.25 -0.50 0.00 0.00 175.29 176.22 1pmx n THR 41 N 1.74 0.00 0.00 -0.34 -2.24 -1.26 -5.17 114.28 107.01 1pmx n THR 41 Ca -0.16 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 1pmx n THR 41 Cb 0.53 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 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 1.75 0.70 0.10 3.38 0.00 -1.26 -4.91 105.19 104.95 1pmx n GLY 42 Ca -0.03 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 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 1.47 0.20 -0.61 0.13 -1.26 -3.86 119.36 115.43 1pmx n ILE 43 Ca 0.00 -0.79 -0.10 0.00 -1.10 0.00 0.00 62.75 60.75 1pmx n ILE 43 Cb 0.00 -0.78 -0.05 0.00 -0.84 0.00 0.00 39.64 37.96 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 0.81 116.25 126.72 1pmx h VAL 44 Ca -0.50 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1pmx h VAL 44 Cb 2.14 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1pmx h VAL 44 CO 0.02 0.00 0.00 0.44 0.02 0.00 0.00 177.57 178.05 1pmx h ASP 45 N -0.61 0.00 0.70 0.57 3.32 -1.95 0.85 116.42 119.29 1pmx h ASP 45 Ca -0.05 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.84 1pmx h ASP 45 Cb 0.50 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 1pmx h ASP 45 CO 0.02 0.00 -1.41 1.21 -1.72 0.00 0.00 179.24 177.34 1pmx n GLU 46 N -3.05 0.62 -0.01 3.56 4.07 -1.06 -3.70 120.64 121.07 1pmx n GLU 46 Ca -0.00 0.22 -0.04 0.00 -0.06 0.00 0.00 57.16 57.28 1pmx n GLU 46 Cb 0.24 -1.80 -0.01 0.00 -0.06 0.00 0.00 31.44 29.80 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 0.62 0.08 -3.92 0.00 -1.00 -1.43 -3.45 116.94 107.85 1pmx h PHE 49 Ca 0.16 -0.04 -0.59 0.00 2.81 0.00 0.00 57.97 60.30 1pmx h PHE 49 Cb 0.21 -0.01 -0.22 0.00 3.61 0.00 0.00 35.95 39.54 1pmx h PHE 49 CO 0.01 0.80 -0.84 1.03 -1.61 0.00 0.00 178.31 177.69 1pmx s ARG 50 N -3.24 1.19 0.46 1.51 3.00 -1.21 -5.05 118.95 115.60 1pmx s ARG 50 Ca -0.17 -1.21 -0.25 0.00 0.00 0.00 0.00 55.73 54.10 1pmx s ARG 50 Cb -0.00 -1.51 -0.08 0.00 0.00 0.00 0.00 34.95 33.36 1pmx s ARG 50 CO 0.70 0.35 1.39 -1.54 0.00 0.00 0.00 175.30 176.21 1pmx s SER 51 N -1.94 5.86 0.00 0.23 1.04 -1.25 -2.98 113.70 114.65 1pmx s SER 51 Ca 0.08 2.84 0.00 0.00 0.48 0.00 0.00 55.95 59.35 1pmx s SER 51 Cb -0.10 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.37 1pmx s SER 51 CO 0.05 -1.18 0.00 0.00 0.98 0.00 0.00 173.24 173.09 1pmx s ASP 53 N -0.27 4.12 0.54 0.00 -4.77 -1.26 -5.01 116.67 110.02 1pmx s ASP 53 Ca 0.00 -0.18 0.24 0.00 -3.30 0.00 0.00 52.55 49.30 1pmx s ASP 53 Cb 0.00 -0.99 1.51 0.00 -1.09 0.00 0.00 42.92 42.35 1pmx s ASP 53 CO 0.00 0.33 2.16 -0.07 0.70 0.00 0.00 175.17 178.29 1pmx h LEU 54 N 5.49 0.00 -2.13 2.11 -0.00 -2.01 -2.18 115.31 116.58 1pmx h LEU 54 Ca -0.44 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 57.52 1pmx h LEU 54 Cb 1.16 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.81 1pmx h LEU 54 CO 0.51 0.05 0.27 0.03 -0.00 0.00 0.00 178.44 179.30 1pmx h ARG 55 N 0.00 0.00 0.00 1.13 2.47 -2.04 0.19 114.38 116.13 1pmx h ARG 55 Ca -0.00 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 1pmx h ARG 55 Cb 0.10 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.42 1pmx h ARG 55 CO 0.01 0.00 -0.13 0.00 0.56 0.00 0.00 179.97 180.41 1pmx h ARG 56 N 0.00 0.00 -0.46 0.04 2.47 -1.82 -2.35 114.38 112.26 1pmx h ARG 56 Ca 0.13 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 -0.02 0.00 -1.65 0.00 0.00 29.97 28.96 1pmx h ARG 56 CO -0.00 0.13 0.32 -0.07 0.56 0.00 0.00 179.97 180.90 1pmx h LEU 57 N 0.00 0.13 -1.04 3.04 3.38 -1.15 -0.59 115.31 119.09 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 0.25 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1pmx h LEU 57 CO 0.02 0.08 -0.26 -0.33 0.09 0.00 0.00 178.44 178.04 1pmx h GLU 58 N 0.15 0.38 0.37 1.13 5.08 -1.59 -3.07 114.58 117.03 1pmx h GLU 58 Ca 0.22 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1pmx h GLU 58 Cb 0.66 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 1pmx h GLU 58 CO -0.03 0.61 -0.21 0.52 -1.00 0.00 0.00 179.01 178.91 1pmx h MET 59 N 0.34 -0.52 -0.15 2.33 2.86 -1.24 -2.34 114.93 116.21 1pmx h MET 59 Ca 0.05 0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.77 1pmx h MET 59 Cb 0.64 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 1pmx h MET 59 CO 0.05 -0.35 0.14 1.88 1.06 0.00 0.00 176.91 179.69 1pmx h TYR 60 N -0.54 0.00 -2.71 -0.22 0.05 -1.56 -3.42 116.97 108.57 1pmx h TYR 60 Ca -0.04 0.00 -0.52 0.00 0.05 0.00 0.00 58.73 58.21 1pmx h TYR 60 Cb 0.43 0.00 0.06 0.00 1.01 0.00 0.00 36.73 38.23 1pmx h TYR 60 CO -0.07 0.00 1.01 0.00 -1.05 0.00 0.00 178.16 178.04 1pmx s ALA 62 N 1.11 2.11 0.06 0.00 0.00 -1.26 -4.95 121.76 118.83 1pmx s ALA 62 Ca 0.74 0.65 0.15 0.00 0.00 0.00 0.00 51.96 53.51 1pmx s ALA 62 Cb -0.50 -3.40 0.34 0.00 0.00 0.00 0.00 23.12 19.56 1pmx s ALA 62 CO 0.33 -1.87 1.57 -1.00 0.00 0.00 0.00 175.76 174.79 1pmx h PRO 63 N -0.62 0.00 -6.94 0.00 0.13 -1.93 -3.46 132.00 119.17 1pmx h PRO 63 Ca -0.46 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.29 1pmx h PRO 63 Cb 1.27 0.00 0.22 0.00 0.13 0.00 0.00 31.00 32.61 1pmx h PRO 63 CO 0.50 0.51 -0.16 1.47 -0.23 0.00 0.00 178.00 180.09 1pmx n LEU 64 N -3.42 -0.94 -3.89 1.56 -0.00 -1.26 -5.07 117.00 103.98 1pmx n LEU 64 Ca 0.00 -0.62 -0.09 0.00 -0.00 0.00 0.00 56.01 55.30 1pmx n LEU 64 Cb 0.65 -1.07 -0.08 0.00 -0.00 0.00 0.00 43.42 42.91 1pmx n LEU 64 CO 0.40 -4.14 -0.15 -1.59 -0.00 0.00 0.00 177.39 171.91 1pmx s LYS 65 N -4.73 0.71 -1.01 1.47 0.00 -1.26 -4.82 119.74 110.09 1pmx s LYS 65 Ca 0.66 -0.80 -0.26 0.00 0.00 0.00 0.00 55.97 55.57 1pmx s LYS 65 Cb -0.16 0.28 -0.19 0.00 0.00 0.00 0.00 37.83 37.76 1pmx s LYS 65 CO 0.59 -0.20 2.17 -1.25 0.00 0.00 0.00 175.35 176.66 1pmx s PRO 66 N -3.06 1.42 0.01 1.78 0.04 -1.26 -4.72 135.00 129.20 1pmx s PRO 66 Ca -0.01 -0.24 -0.17 0.00 0.04 0.00 0.00 61.00 60.62 1pmx s PRO 66 Cb 0.01 -4.95 0.06 0.00 0.04 0.00 0.00 34.50 29.66 1pmx s PRO 66 CO -0.07 -5.07 0.78 0.00 0.04 0.00 0.00 177.00 172.68 1pmx n ALA 67 N 18.90 -2.17 -3.01 8.56 0.00 -1.26 -5.09 120.51 136.44 1pmx n ALA 67 Ca 0.43 -0.52 -0.44 0.00 0.00 0.00 0.00 53.44 52.90 1pmx n ALA 67 Cb 0.46 0.14 -0.02 0.00 0.00 0.00 0.00 19.45 20.02 1pmx n ALA 67 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1pmx s LYS 68 N -2.01 3.63 0.21 0.00 2.20 -1.26 -5.01 119.74 117.49 1pmx s LYS 68 Ca 0.18 -1.95 0.05 0.00 -0.36 0.00 0.00 55.97 53.90 1pmx s LYS 68 Cb -0.01 -4.83 -0.03 0.00 -1.51 0.00 0.00 37.83 31.45 1pmx s LYS 68 CO 0.00 -1.68 0.26 0.45 -0.36 0.00 0.00 175.35 174.03 1pmx s SER 69 N 3.30 5.98 0.00 1.43 0.15 -1.26 -5.18 113.70 118.12 1pmx s SER 69 Ca 0.30 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.93 1pmx s SER 69 Cb -0.06 -1.68 0.00 0.00 -1.71 0.00 0.00 66.02 62.57 1pmx s SER 69 CO -0.09 -0.01 0.00 0.00 1.20 0.00 0.00 173.24 174.34