#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mnl s GLU 2 N 0.00 2.75 -0.11 1.61 2.56 0.43 -4.87 118.70 121.06 1mnl s GLU 2 Ca 0.00 1.04 -0.14 0.00 0.00 0.00 0.00 54.97 55.87 1mnl s GLU 2 Cb 0.00 -1.96 0.03 0.00 2.00 0.00 0.00 34.13 34.20 1mnl s GLU 2 CO 0.00 -1.25 0.37 1.67 -0.56 0.00 0.00 175.26 175.49 1mnl s TRP 3 N -2.97 -0.37 0.28 5.30 1.48 -1.26 -1.62 118.94 119.77 1mnl s TRP 3 Ca 0.59 0.86 -0.09 0.00 -1.06 0.00 0.00 56.10 56.41 1mnl s TRP 3 Cb -0.15 0.14 0.04 0.00 -1.16 0.00 0.00 33.47 32.33 1mnl s TRP 3 CO 0.54 -0.25 0.53 0.39 -4.06 0.00 0.00 176.95 174.10 1mnl n GLU 4 N 2.49 0.76 -4.32 3.25 1.02 0.50 -4.96 120.64 119.38 1mnl n GLU 4 Ca -0.15 -1.64 -0.17 0.00 -0.02 0.00 0.00 57.16 55.18 1mnl n GLU 4 Cb 0.57 1.96 -0.10 0.00 -0.02 0.00 0.00 31.44 33.85 1mnl n GLU 4 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1mnl s ILE 5 N -2.41 0.70 0.01 -3.67 2.07 -1.26 0.23 121.20 116.86 1mnl s ILE 5 Ca 0.13 -2.00 -0.00 0.00 -1.41 0.00 0.00 60.65 57.36 1mnl s ILE 5 Cb -0.03 -2.55 0.00 0.00 0.13 0.00 0.00 42.46 40.01 1mnl s ILE 5 CO 0.09 -0.10 0.01 -0.38 -1.91 0.00 0.00 174.94 172.65 1mnl n ILE 6 N -0.45 0.00 0.00 2.00 2.08 -1.03 -4.84 119.36 117.11 1mnl n ILE 6 Ca -0.02 -0.03 0.00 0.00 0.56 0.00 0.00 62.75 63.27 1mnl n ILE 6 Cb 0.66 0.02 0.00 0.00 -0.75 0.00 0.00 39.64 39.56 1mnl n ILE 6 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1mnl n ASP 7 N -2.13 0.00 -1.90 4.38 5.68 -1.26 -4.35 116.55 116.97 1mnl n ASP 7 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 54.79 54.26 1mnl n ASP 7 Cb 0.01 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 39.98 1mnl n ASP 7 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1mnl n ILE 8 N -0.28 -0.09 0.00 2.12 0.13 -1.26 -4.68 119.36 115.30 1mnl n ILE 8 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1mnl n ILE 8 Cb 0.00 -0.39 0.00 0.00 -0.84 0.00 0.00 39.64 38.41 1mnl n ILE 8 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1mnl n GLY 9 N -0.36 1.62 0.03 4.50 0.00 -1.26 -4.97 105.19 104.75 1mnl n GLY 9 Ca -0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 46.02 45.84 1mnl n GLY 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mnl h PRO 10 N 0.00 0.00 -0.88 1.61 0.13 -1.99 -3.19 132.00 127.69 1mnl h PRO 10 Ca 0.00 0.00 0.26 0.00 -0.87 0.00 0.00 66.00 65.39 1mnl h PRO 10 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 1mnl h PRO 10 CO 0.00 0.00 1.05 0.74 -0.23 0.00 0.00 178.00 179.56 1mnl h PHE 11 N -0.56 0.00 0.42 1.56 0.04 -1.94 1.06 116.94 117.53 1mnl h PHE 11 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1mnl h PHE 11 Cb 0.05 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.20 1mnl h PHE 11 CO -0.02 0.00 -0.20 1.79 -0.60 0.00 0.00 178.31 179.28 1mnl h THR 12 N 0.00 0.00 0.00 -1.55 1.35 -1.94 0.30 112.91 111.08 1mnl h THR 12 Ca 0.42 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.90 1mnl h THR 12 Cb 2.51 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 1mnl h THR 12 CO -0.00 0.00 0.00 -0.61 -0.25 0.00 0.00 175.52 174.66 1mnl h GLN 13 N -0.94 0.00 0.04 4.72 4.15 -0.19 -3.11 115.11 119.77 1mnl h GLN 13 Ca -0.06 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.36 1mnl h GLN 13 Cb 0.43 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.12 1mnl h GLN 13 CO 0.09 0.00 -0.02 -0.91 -1.93 0.00 0.00 178.83 176.07 1mnl h ASN 14 N 0.00 -0.04 -1.00 -0.69 2.35 0.10 -3.13 115.58 113.17 1mnl h ASN 14 Ca 0.00 0.00 0.19 0.00 -0.55 0.00 0.00 56.30 55.94 1mnl h ASN 14 Cb 0.30 0.01 -0.18 0.00 0.05 0.00 0.00 38.32 38.50 1mnl h ASN 14 CO 0.00 0.41 -0.27 -0.11 -1.65 0.00 0.00 177.43 175.81 1mnl n LEU 15 N -4.58 -0.40 0.14 1.61 7.94 0.11 0.98 117.00 122.79 1mnl n LEU 15 Ca -0.01 1.72 -0.15 0.00 -1.11 0.00 0.00 56.01 56.47 1mnl n LEU 15 Cb 0.02 -0.50 -0.07 0.00 0.53 0.00 0.00 43.42 43.40 1mnl n LEU 15 CO 0.01 -1.63 0.60 1.23 -1.11 0.00 0.00 177.39 176.49 1mnl h GLY 16 N 0.00 -0.84 0.04 -3.96 0.00 -1.67 0.38 103.07 97.03 1mnl h GLY 16 Ca 0.46 0.48 -0.00 0.00 0.00 0.00 0.00 47.33 48.27 1mnl h GLY 16 CO -1.02 -0.28 -0.02 1.70 0.00 0.00 0.00 176.54 176.93 1mnl h LYS 17 N -0.67 -0.05 -0.62 4.80 3.64 -0.37 -3.00 116.57 120.30 1mnl h LYS 17 Ca 0.01 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1mnl h LYS 17 Cb 0.68 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.43 1mnl h LYS 17 CO -0.21 -0.03 -0.37 1.19 -2.27 0.00 0.00 179.45 177.76 1mnl n PHE 18 N -2.24 -0.27 0.00 1.91 3.01 0.28 -1.52 117.46 118.62 1mnl n PHE 18 Ca -0.01 0.78 0.00 0.00 1.01 0.00 0.00 57.45 59.23 1mnl n PHE 18 Cb 0.02 -0.54 0.00 0.00 -0.01 0.00 0.00 39.48 38.95 1mnl n PHE 18 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1mnl n ALA 19 N -3.18 -0.08 -0.33 4.37 0.00 0.12 0.13 120.51 121.55 1mnl n ALA 19 Ca 0.01 0.00 0.34 0.00 0.00 0.00 0.00 53.44 53.80 1mnl n ALA 19 Cb 0.16 0.34 0.55 0.00 0.00 0.00 0.00 19.45 20.51 1mnl n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1mnl h VAL 20 N 0.00 0.02 0.00 0.00 2.07 -1.28 1.95 116.25 119.01 1mnl h VAL 20 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1mnl h VAL 20 Cb 0.00 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.81 1mnl h VAL 20 CO 0.00 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.06 1mnl n ASP 21 N -3.46 0.00 -0.12 0.57 9.92 0.18 -2.64 116.55 121.00 1mnl n ASP 21 Ca 0.28 0.18 0.11 0.00 -0.53 0.00 0.00 54.79 54.83 1mnl n ASP 21 Cb 1.62 -0.45 0.45 0.00 -0.64 0.00 0.00 41.12 42.10 1mnl n ASP 21 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1mnl h GLU 22 N 0.00 0.50 0.43 -1.24 4.39 0.16 1.90 114.58 120.72 1mnl h GLU 22 Ca 0.00 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 1mnl h GLU 22 Cb 0.00 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 1mnl h GLU 22 CO 0.00 0.33 -0.21 1.49 -1.16 0.00 0.00 179.01 179.46 1mnl h GLU 23 N 0.52 -0.56 -0.35 2.33 4.81 0.30 1.01 114.58 122.63 1mnl h GLU 23 Ca 0.30 0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.58 1mnl h GLU 23 Cb 0.49 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1mnl h GLU 23 CO -0.09 -0.25 0.23 -0.91 -0.73 0.00 0.00 179.01 177.25 1mnl h ASN 24 N -0.94 0.38 -0.15 1.04 4.21 -0.91 0.71 115.58 119.93 1mnl h ASN 24 Ca -0.06 -0.01 0.04 0.00 1.21 0.00 0.00 56.30 57.48 1mnl h ASN 24 Cb 0.57 -0.09 -0.04 0.00 -1.12 0.00 0.00 38.32 37.64 1mnl h ASN 24 CO 0.10 0.28 -0.11 0.11 -1.29 0.00 0.00 177.43 176.52 1mnl h LYS 25 N 0.46 -0.11 0.00 0.81 1.57 0.30 0.17 116.57 119.77 1mnl h LYS 25 Ca 0.13 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1mnl h LYS 25 Cb -0.04 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1mnl h LYS 25 CO -0.04 -0.07 0.00 0.97 -0.57 0.00 0.00 179.45 179.74 1mnl h ILE 26 N -0.11 0.00 0.00 1.86 -0.00 0.16 -3.44 117.51 115.97 1mnl h ILE 26 Ca 0.09 -0.10 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 1mnl h ILE 26 Cb 0.25 0.80 0.00 0.00 -0.00 0.00 0.00 36.82 37.87 1mnl h ILE 26 CO -0.22 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 178.54 1mnl n GLY 27 N -0.87 0.85 2.60 8.18 0.00 0.57 -5.05 105.19 111.46 1mnl n GLY 27 Ca -0.01 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 1mnl n GLY 27 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1mnl n GLN 28 N 0.00 0.46 -0.95 1.61 3.00 0.23 -4.90 117.38 116.82 1mnl n GLN 28 Ca 0.00 -2.45 -0.11 0.00 -0.01 0.00 0.00 57.00 54.43 1mnl n GLN 28 Cb 0.00 -1.52 0.20 0.00 0.00 0.00 0.00 30.24 28.93 1mnl n GLN 28 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.06 179.54 1mnl n TYR 29 N 2.66 1.85 -0.30 1.08 0.18 -1.26 -2.25 117.16 119.11 1mnl n TYR 29 Ca 0.21 -1.64 -0.03 0.00 1.88 0.00 0.00 57.90 58.32 1mnl n TYR 29 Cb 0.54 -0.66 0.03 0.00 -0.38 0.00 0.00 39.34 38.87 1mnl n TYR 29 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 1mnl h GLY 30 N 1.13 0.02 0.00 -7.48 0.00 -1.96 -3.45 103.07 91.32 1mnl h GLY 30 Ca 0.36 0.48 0.00 0.00 0.00 0.00 0.00 47.33 48.17 1mnl h GLY 30 CO 0.65 -0.21 0.00 -0.96 0.00 0.00 0.00 176.54 176.02 1mnl n ARG 31 N -5.46 0.00 -3.85 4.80 1.85 -1.26 -5.16 116.66 107.58 1mnl n ARG 31 Ca 0.08 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.82 1mnl n ARG 31 Cb 0.38 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.70 1mnl n ARG 31 CO 0.00 0.00 0.00 -0.48 -0.01 0.00 0.00 177.63 177.14 1mnl s LEU 32 N -1.94 1.38 -0.63 2.89 0.05 -1.26 -5.01 118.68 114.16 1mnl s LEU 32 Ca 0.00 -0.29 0.03 0.00 0.05 0.00 0.00 54.13 53.91 1mnl s LEU 32 Cb 0.00 0.90 0.38 0.00 -2.05 0.00 0.00 46.19 45.42 1mnl s LEU 32 CO 0.00 -0.50 1.39 0.35 -0.55 0.00 0.00 176.35 177.04 1mnl n THR 33 N 0.93 3.21 -3.24 5.48 -2.24 -1.26 -4.52 114.28 112.64 1mnl n THR 33 Ca -0.20 -5.01 -0.04 0.00 -2.27 0.00 0.00 64.05 56.54 1mnl n THR 33 Cb 0.58 -1.32 -0.03 0.00 -2.10 0.00 0.00 70.33 67.46 1mnl n THR 33 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1mnl s PHE 34 N -3.75 -1.36 0.13 4.78 2.19 -1.26 -4.26 117.98 114.45 1mnl s PHE 34 Ca 0.48 0.51 0.00 0.00 0.33 0.00 0.00 56.93 58.25 1mnl s PHE 34 Cb 0.37 0.05 0.00 0.00 -1.31 0.00 0.00 43.02 42.13 1mnl s PHE 34 CO -0.23 -1.05 0.00 -1.71 1.83 0.00 0.00 175.22 174.06 1mnl n ASN 35 N 5.18 0.10 0.00 6.13 2.85 -1.26 -4.69 115.26 123.57 1mnl n ASN 35 Ca 0.04 0.21 0.00 0.00 -0.11 0.00 0.00 54.58 54.72 1mnl n ASN 35 Cb 0.52 0.11 0.00 0.00 1.24 0.00 0.00 39.78 41.64 1mnl n ASN 35 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1mnl n LYS 36 N -3.02 0.00 -3.86 1.20 3.00 -1.16 -4.94 118.16 109.38 1mnl n LYS 36 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.23 1mnl n LYS 36 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.02 1mnl n LYS 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1mnl s VAL 37 N 0.00 0.00 -0.08 3.15 1.01 -0.31 -4.94 120.40 119.24 1mnl s VAL 37 Ca 0.00 -1.06 0.05 0.00 0.00 0.00 0.00 61.98 60.97 1mnl s VAL 37 Cb 0.00 -2.32 -0.00 0.00 0.00 0.00 0.00 36.38 34.06 1mnl s VAL 37 CO 0.00 0.00 -0.23 -0.51 0.00 0.00 0.00 175.10 174.36 1mnl s ILE 38 N -3.40 1.96 0.23 2.22 -1.16 -1.26 -1.08 121.20 118.71 1mnl s ILE 38 Ca 0.14 -0.99 0.00 0.00 -0.51 0.00 0.00 60.65 59.29 1mnl s ILE 38 Cb -0.05 -1.68 0.00 0.00 0.61 0.00 0.00 42.46 41.34 1mnl s ILE 38 CO 0.09 0.54 0.00 0.54 -2.81 0.00 0.00 174.94 173.30 1mnl n ARG 39 N 3.28 0.00 -0.87 3.50 1.74 -1.26 -4.14 116.66 118.90 1mnl n ARG 39 Ca -0.18 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.80 1mnl n ARG 39 Cb 0.52 -0.07 -0.09 0.00 -1.02 0.00 0.00 32.46 31.80 1mnl n ARG 39 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1mnl n PRO 40 N -3.35 1.70 -2.59 5.56 -0.04 -1.13 -4.64 135.00 130.50 1mnl n PRO 40 Ca 0.00 -0.82 -0.43 0.00 -0.04 0.00 0.00 63.50 62.21 1mnl n PRO 40 Cb 0.00 -1.66 -0.00 0.00 -0.04 0.00 0.00 33.50 31.79 1mnl n PRO 40 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mnl s MET 42 N 4.15 4.61 0.21 0.00 -1.94 -0.34 -2.46 119.30 123.53 1mnl s MET 42 Ca 0.53 1.22 0.06 0.00 -1.71 0.00 0.00 55.69 55.79 1mnl s MET 42 Cb 0.04 -3.30 -0.04 0.00 2.01 0.00 0.00 34.83 33.54 1mnl s MET 42 CO 0.07 0.46 0.21 0.21 -0.01 0.00 0.00 175.02 175.96 1mnl s LYS 43 N -0.77 3.04 -0.29 2.03 2.36 0.61 -1.06 119.74 125.66 1mnl s LYS 43 Ca 0.38 -0.90 0.04 0.00 -2.55 0.00 0.00 55.97 52.94 1mnl s LYS 43 Cb -0.23 -2.68 0.20 0.00 -1.05 0.00 0.00 37.83 34.07 1mnl s LYS 43 CO 0.27 0.45 0.60 0.15 1.55 0.00 0.00 175.35 178.36 1mnl s LYS 44 N -3.53 0.56 0.15 4.03 1.02 -1.04 -0.37 119.74 120.57 1mnl s LYS 44 Ca 0.32 0.70 0.09 0.00 0.02 0.00 0.00 55.97 57.10 1mnl s LYS 44 Cb -0.09 0.35 -0.04 0.00 -0.52 0.00 0.00 37.83 37.53 1mnl s LYS 44 CO 0.25 -0.91 -0.20 0.99 -0.92 0.00 0.00 175.35 174.57 1mnl s THR 45 N 2.84 1.88 -0.49 2.17 2.01 -0.64 -1.92 115.64 121.48 1mnl s THR 45 Ca 0.14 -1.85 0.08 0.00 0.31 0.00 0.00 61.69 60.36 1mnl s THR 45 Cb -0.12 -1.82 0.34 0.00 0.01 0.00 0.00 72.50 70.91 1mnl s THR 45 CO -0.24 -0.23 0.84 0.00 -0.69 0.00 0.00 174.62 174.30 1mnl n ILE 46 N 0.47 1.62 -0.58 1.82 3.06 -1.11 -0.43 119.36 124.21 1mnl n ILE 46 Ca -0.14 -5.12 0.00 0.00 -2.50 0.00 0.00 62.75 54.98 1mnl n ILE 46 Cb 0.56 -0.98 0.00 0.00 0.54 0.00 0.00 39.64 39.76 1mnl n ILE 46 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1mnl n TYR 47 N 0.05 0.00 0.00 9.51 4.11 -1.23 -2.57 117.16 127.03 1mnl n TYR 47 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.18 1mnl n TYR 47 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.85 1mnl n TYR 47 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.86 176.01 1mnl n GLU 48 N 0.00 2.83 -0.04 -3.48 0.00 -1.26 -4.52 120.64 114.17 1mnl n GLU 48 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.07 1mnl n GLU 48 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.41 1mnl n GLU 48 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1mnl n ASN 49 N 0.00 0.81 -0.58 -1.84 0.23 -1.26 -4.94 115.26 107.68 1mnl n ASN 49 Ca 0.00 0.09 -0.02 0.00 -0.53 0.00 0.00 54.58 54.12 1mnl n ASN 49 Cb 0.00 -0.25 -0.02 0.00 -2.08 0.00 0.00 39.78 37.43 1mnl n ASN 49 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1mnl n GLU 50 N -3.34 0.00 0.00 -3.83 2.13 -1.26 -4.99 120.64 109.35 1mnl n GLU 50 Ca -0.17 -0.34 0.00 0.00 0.66 0.00 0.00 57.16 57.31 1mnl n GLU 50 Cb 0.62 0.28 0.00 0.00 0.27 0.00 0.00 31.44 32.62 1mnl n GLU 50 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1mnl n ARG 51 N 0.00 0.00 0.00 5.31 0.63 -1.26 -5.15 116.66 116.19 1mnl n ARG 51 Ca -0.10 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.83 1mnl n ARG 51 Cb 0.42 -0.16 0.00 0.00 0.45 0.00 0.00 32.46 33.17 1mnl n ARG 51 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1mnl n GLU 52 N -0.66 3.60 -3.69 -0.14 1.02 -1.26 -5.07 120.64 114.44 1mnl n GLU 52 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 1mnl n GLU 52 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 1mnl n GLU 52 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1mnl s ILE 53 N 1.95 -0.02 0.04 -3.67 -1.09 -1.26 -4.08 121.20 113.06 1mnl s ILE 53 Ca 0.00 0.07 -0.00 0.00 -2.23 0.00 0.00 60.65 58.49 1mnl s ILE 53 Cb 0.00 -0.67 -0.00 0.00 -1.58 0.00 0.00 42.46 40.21 1mnl s ILE 53 CO 0.00 0.03 -0.00 1.17 -1.23 0.00 0.00 174.94 174.91 1mnl n LYS 54 N 4.09 0.00 -4.04 2.79 4.81 -1.26 -2.21 118.16 122.34 1mnl n LYS 54 Ca -0.22 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.13 1mnl n LYS 54 Cb 0.56 -0.21 -0.08 0.00 0.02 0.00 0.00 35.03 35.32 1mnl n LYS 54 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1mnl s GLY 55 N -3.41 0.66 -0.41 3.14 0.00 -1.06 0.29 107.32 106.53 1mnl s GLY 55 Ca -0.00 -1.13 0.05 0.00 0.00 0.00 0.00 44.72 43.64 1mnl s GLY 55 CO 0.00 -1.08 0.46 -0.47 0.00 0.00 0.00 173.10 172.02 1mnl s TYR 56 N -3.99 -0.48 0.14 1.90 6.14 0.39 -2.75 117.35 118.69 1mnl s TYR 56 Ca 0.19 -0.90 -0.06 0.00 0.64 0.00 0.00 57.07 56.95 1mnl s TYR 56 Cb 0.05 -0.27 -0.06 0.00 0.42 0.00 0.00 41.96 42.11 1mnl s TYR 56 CO -0.00 -1.03 0.39 -1.83 0.64 0.00 0.00 175.55 173.71 1mnl s GLU 57 N 1.15 3.64 -0.07 4.97 -1.05 -0.81 -2.70 118.70 123.84 1mnl s GLU 57 Ca 0.22 -0.04 -0.06 0.00 -0.15 0.00 0.00 54.97 54.94 1mnl s GLU 57 Cb -0.08 -2.86 0.02 0.00 -0.44 0.00 0.00 34.13 30.77 1mnl s GLU 57 CO -0.06 0.47 0.18 -0.47 0.95 0.00 0.00 175.26 176.33 1mnl s TYR 58 N -1.63 -0.20 -0.45 4.83 5.04 0.37 -2.49 117.35 122.83 1mnl s TYR 58 Ca 0.40 0.49 -0.16 0.00 -2.44 0.00 0.00 57.07 55.36 1mnl s TYR 58 Cb -0.12 0.06 0.05 0.00 0.35 0.00 0.00 41.96 42.30 1mnl s TYR 58 CO 0.23 -0.10 0.39 -0.65 -1.34 0.00 0.00 175.55 174.09 1mnl s GLN 59 N 0.13 3.00 -1.07 4.97 -0.21 -0.22 -0.73 119.66 125.53 1mnl s GLN 59 Ca -0.00 -1.16 -0.02 0.00 0.02 0.00 0.00 55.36 54.19 1mnl s GLN 59 Cb -0.02 -4.07 0.30 0.00 1.00 0.00 0.00 33.01 30.22 1mnl s GLN 59 CO -0.00 -0.95 1.81 -0.11 -2.12 0.00 0.00 175.29 173.91 1mnl n LEU 60 N 5.31 7.21 -4.57 2.90 7.94 -1.09 -1.20 117.00 133.51 1mnl n LEU 60 Ca -0.11 -5.29 -0.41 0.00 -1.11 0.00 0.00 56.01 49.09 1mnl n LEU 60 Cb 0.45 -1.21 -0.03 0.00 0.53 0.00 0.00 43.42 43.16 1mnl n LEU 60 CO 0.46 1.96 1.44 -0.47 -1.11 0.00 0.00 177.39 179.67 1mnl s TYR 61 N -3.63 1.96 0.00 1.96 5.04 -1.13 -2.01 117.35 119.53 1mnl s TYR 61 Ca 0.39 0.63 0.00 0.00 -2.44 0.00 0.00 57.07 55.65 1mnl s TYR 61 Cb 0.16 -4.22 0.00 0.00 0.35 0.00 0.00 41.96 38.25 1mnl s TYR 61 CO -0.07 -2.34 0.00 1.33 -1.34 0.00 0.00 175.55 173.13 1mnl n VAL 62 N 7.13 0.00 -4.45 3.14 0.24 0.80 -2.84 118.33 122.35 1mnl n VAL 62 Ca 0.18 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.27 1mnl n VAL 62 Cb 0.49 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.71 1mnl n VAL 62 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1mnl s TYR 63 N -6.04 1.08 0.00 6.34 6.14 -0.24 -1.69 117.35 122.94 1mnl s TYR 63 Ca 0.00 -0.30 0.00 0.00 0.64 0.00 0.00 57.07 57.41 1mnl s TYR 63 Cb 0.00 -0.78 0.00 0.00 0.42 0.00 0.00 41.96 41.60 1mnl s TYR 63 CO 0.00 -0.13 0.00 0.00 0.64 0.00 0.00 175.55 176.06 1mnl n ALA 64 N 3.39 0.00 -0.07 3.97 0.00 -0.61 -1.16 120.51 126.03 1mnl n ALA 64 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.16 1mnl n ALA 64 Cb 0.53 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.83 1mnl n ALA 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1mnl n SER 65 N 0.00 0.27 0.00 0.00 2.88 -1.26 -3.09 113.62 112.42 1mnl n SER 65 Ca 0.00 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1mnl n SER 65 Cb 0.00 0.70 0.00 0.00 -0.75 0.00 0.00 64.21 64.16 1mnl n SER 65 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1mnl n ASP 66 N -2.83 0.26 -4.12 -3.46 5.75 -1.26 -4.99 116.55 105.90 1mnl n ASP 66 Ca -0.27 -1.07 -0.36 0.00 -0.01 0.00 0.00 54.79 53.07 1mnl n ASP 66 Cb 1.11 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 41.08 1mnl n ASP 66 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1mnl s LYS 67 N -0.07 2.03 -1.00 0.11 2.36 -1.26 -4.98 119.74 116.92 1mnl s LYS 67 Ca 0.00 -1.78 -0.01 0.00 -2.55 0.00 0.00 55.97 51.63 1mnl s LYS 67 Cb 0.00 -3.56 0.32 0.00 -1.05 0.00 0.00 37.83 33.54 1mnl s LYS 67 CO 0.00 -1.04 1.81 1.28 1.55 0.00 0.00 175.35 178.94 1mnl n LEU 68 N 4.60 7.26 0.00 5.43 4.32 -1.26 -1.58 117.00 135.76 1mnl n LEU 68 Ca -0.03 -5.37 0.00 0.00 -0.02 0.00 0.00 56.01 50.60 1mnl n LEU 68 Cb 0.41 -1.14 0.00 0.00 -1.62 0.00 0.00 43.42 41.08 1mnl n LEU 68 CO 0.33 2.04 0.00 2.22 -1.22 0.00 0.00 177.39 180.76 1mnl n PHE 69 N -0.10 0.00 -4.37 -1.77 1.16 -0.68 -3.75 117.46 107.95 1mnl n PHE 69 Ca 0.47 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.84 1mnl n PHE 69 Cb 0.26 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.03 1mnl n PHE 69 CO 0.00 0.00 0.00 0.50 -1.87 0.00 0.00 176.76 175.39 1mnl s ARG 70 N 0.00 1.39 -0.51 3.97 3.52 -0.44 0.28 118.95 127.16 1mnl s ARG 70 Ca 0.00 -1.55 0.03 0.00 -0.13 0.00 0.00 55.73 54.07 1mnl s ARG 70 Cb 0.00 -1.37 0.13 0.00 -1.56 0.00 0.00 34.95 32.15 1mnl s ARG 70 CO 0.00 0.26 0.26 0.00 -0.81 0.00 0.00 175.30 175.01 1mnl s ALA 71 N -2.45 3.30 -1.15 6.12 0.00 -0.85 -1.66 121.76 125.06 1mnl s ALA 71 Ca 0.21 -3.14 -0.23 0.00 0.00 0.00 0.00 51.96 48.80 1mnl s ALA 71 Cb -0.04 -2.23 -0.09 0.00 0.00 0.00 0.00 23.12 20.75 1mnl s ALA 71 CO 0.08 -1.98 1.95 0.34 0.00 0.00 0.00 175.76 176.15 1mnl s ASP 72 N 0.13 4.93 -0.22 0.00 -1.08 0.16 -2.69 116.67 117.90 1mnl s ASP 72 Ca 0.16 -1.52 -0.29 0.00 -0.52 0.00 0.00 52.55 50.38 1mnl s ASP 72 Cb -0.24 -2.59 -0.03 0.00 -1.46 0.00 0.00 42.92 38.60 1mnl s ASP 72 CO -0.02 -3.16 1.69 -0.63 0.52 0.00 0.00 175.17 173.57 1mnl s ILE 73 N 11.33 3.59 -0.20 4.11 -1.09 0.09 -2.31 121.20 136.73 1mnl s ILE 73 Ca 0.69 0.66 0.00 0.00 -2.23 0.00 0.00 60.65 59.78 1mnl s ILE 73 Cb -0.02 -3.62 0.02 0.00 -1.58 0.00 0.00 42.46 37.27 1mnl s ILE 73 CO 0.12 -0.27 -0.15 -0.44 -1.23 0.00 0.00 174.94 172.97 1mnl s SER 74 N 4.67 3.59 -0.21 3.58 0.01 0.31 0.14 113.70 125.79 1mnl s SER 74 Ca 0.75 -0.74 -0.07 0.00 1.31 0.00 0.00 55.95 57.20 1mnl s SER 74 Cb -0.26 -1.54 0.10 0.00 0.21 0.00 0.00 66.02 64.52 1mnl s SER 74 CO 0.31 -0.04 0.45 -1.61 0.41 0.00 0.00 173.24 172.76 1mnl s GLU 75 N 1.30 0.36 0.00 12.44 2.02 -1.10 -0.65 118.70 133.07 1mnl s GLU 75 Ca 0.03 1.10 0.00 0.00 0.02 0.00 0.00 54.97 56.12 1mnl s GLU 75 Cb -0.14 0.41 0.00 0.00 0.10 0.00 0.00 34.13 34.50 1mnl s GLU 75 CO -0.10 -0.24 0.00 -3.47 0.02 0.00 0.00 175.26 171.47 1mnl n ASP 76 N 5.38 0.00 0.00 -0.19 2.03 -0.80 0.15 116.55 123.12 1mnl n ASP 76 Ca -0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.22 1mnl n ASP 76 Cb 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 1mnl n ASP 76 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1mnl n TYR 77 N 0.00 0.00 -0.01 -0.67 4.19 0.84 -4.10 117.16 117.41 1mnl n TYR 77 Ca 0.00 0.00 -0.07 0.00 3.31 0.00 0.00 57.90 61.14 1mnl n TYR 77 Cb 0.00 0.00 -0.06 0.00 0.49 0.00 0.00 39.34 39.77 1mnl n TYR 77 CO 0.00 0.00 0.00 -0.22 0.91 0.00 0.00 176.86 177.55 1mnl h LYS 78 N 0.00 -0.09 0.00 2.98 3.64 -0.79 -3.19 116.57 119.13 1mnl h LYS 78 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1mnl h LYS 78 Cb 0.00 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1mnl h LYS 78 CO 0.00 0.31 0.00 2.41 -2.27 0.00 0.00 179.45 179.90 1mnl n THR 79 N -4.79 0.48 -2.13 1.00 -1.04 -1.26 -4.84 114.28 101.70 1mnl n THR 79 Ca -0.05 0.12 -0.18 0.00 -2.04 0.00 0.00 64.05 61.90 1mnl n THR 79 Cb 0.22 -0.81 -0.03 0.00 -1.82 0.00 0.00 70.33 67.89 1mnl n THR 79 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1mnl n ARG 80 N -1.31 -1.38 0.00 -2.82 3.00 -1.21 -4.91 116.66 108.03 1mnl n ARG 80 Ca 0.08 0.93 0.00 0.00 -0.01 0.00 0.00 57.85 58.86 1mnl n ARG 80 Cb 0.16 -5.37 0.00 0.00 0.00 0.00 0.00 32.46 27.25 1mnl n ARG 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1mnl n GLY 81 N -0.96 -2.34 0.00 -0.13 0.00 -1.26 -4.83 105.19 95.68 1mnl n GLY 81 Ca -0.20 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1mnl n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mnl n ARG 82 N -1.17 0.00 -3.37 1.61 1.74 -1.26 -4.87 116.66 109.34 1mnl n ARG 82 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 1mnl n ARG 82 Cb 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.35 1mnl n ARG 82 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1mnl s LYS 83 N -1.45 0.34 0.06 5.56 3.01 -1.25 -1.90 119.74 124.11 1mnl s LYS 83 Ca 0.00 0.17 -0.09 0.00 -1.01 0.00 0.00 55.97 55.03 1mnl s LYS 83 Cb 0.00 -0.58 0.03 0.00 -1.01 0.00 0.00 37.83 36.27 1mnl s LYS 83 CO 0.00 -0.87 0.45 -0.11 0.51 0.00 0.00 175.35 175.33 1mnl n LEU 84 N 5.34 0.00 -3.86 3.17 7.94 0.18 -4.98 117.00 124.79 1mnl n LEU 84 Ca -0.02 -0.54 -0.05 0.00 -1.11 0.00 0.00 56.01 54.29 1mnl n LEU 84 Cb 0.49 1.11 0.02 0.00 0.53 0.00 0.00 43.42 45.57 1mnl n LEU 84 CO 0.02 -0.18 0.72 -1.48 -1.11 0.00 0.00 177.39 175.36 1mnl s LEU 85 N 0.00 0.01 -0.06 -1.96 2.34 -1.26 0.12 118.68 117.87 1mnl s LEU 85 Ca 0.10 -0.85 -0.02 0.00 0.06 0.00 0.00 54.13 53.42 1mnl s LEU 85 Cb -0.01 2.35 0.04 0.00 -0.56 0.00 0.00 46.19 48.01 1mnl s LEU 85 CO 0.02 -1.24 0.13 -0.13 -1.06 0.00 0.00 176.35 174.06 1mnl s ARG 86 N -2.19 0.06 -0.89 1.48 0.52 -0.98 -4.84 118.95 112.12 1mnl s ARG 86 Ca 0.20 0.36 -0.08 0.00 -0.52 0.00 0.00 55.73 55.69 1mnl s ARG 86 Cb -0.04 -0.21 0.23 0.00 0.52 0.00 0.00 34.95 35.45 1mnl s ARG 86 CO 0.08 -0.19 0.81 -0.06 0.02 0.00 0.00 175.30 175.95 1mnl s PHE 87 N 1.31 3.87 0.00 -0.53 0.40 -1.25 0.35 117.98 122.13 1mnl s PHE 87 Ca -0.07 -2.56 0.00 0.00 -0.60 0.00 0.00 56.93 53.69 1mnl s PHE 87 Cb -0.12 -3.58 0.00 0.00 0.51 0.00 0.00 43.02 39.83 1mnl s PHE 87 CO -0.05 -0.89 0.00 0.09 0.70 0.00 0.00 175.22 175.06 1mnl n ASN 88 N 3.14 0.00 -1.53 1.36 3.02 -0.67 -4.90 115.26 115.68 1mnl n ASN 88 Ca 0.17 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.69 1mnl n ASN 88 Cb 0.41 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.60 1mnl n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mnl n GLY 89 N 0.00 0.32 3.76 7.41 0.00 -1.26 -1.32 105.19 114.09 1mnl n GLY 89 Ca 0.00 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 1mnl n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1mnl s PRO 90 N -4.12 4.33 0.00 1.61 0.04 -1.26 -4.35 135.00 131.25 1mnl s PRO 90 Ca 0.01 2.24 0.16 0.00 0.04 0.00 0.00 61.00 63.45 1mnl s PRO 90 Cb -0.00 -3.08 0.94 0.00 0.04 0.00 0.00 34.50 32.40 1mnl s PRO 90 CO 0.14 -0.25 1.35 1.33 0.04 0.00 0.00 177.00 179.61