#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mnl n GLU 2 N 0.00 -2.63 -1.50 1.61 0.28 0.10 -4.94 120.64 113.57 1mnl n GLU 2 Ca 0.00 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.81 1mnl n GLU 2 Cb 0.00 0.00 0.13 0.00 1.43 0.00 0.00 31.44 33.00 1mnl n GLU 2 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 1mnl n TRP 3 N -0.21 -3.75 0.00 -1.84 8.01 -1.26 -2.28 117.44 116.10 1mnl n TRP 3 Ca 0.00 -0.93 0.00 0.00 -1.31 0.00 0.00 57.50 55.26 1mnl n TRP 3 Cb 0.00 -0.66 0.00 0.00 -2.01 0.00 0.00 31.31 28.64 1mnl n TRP 3 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.69 174.77 1mnl n GLU 4 N -2.79 0.00 -4.25 -0.99 4.07 0.36 -4.83 120.64 112.21 1mnl n GLU 4 Ca 0.12 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 57.06 1mnl n GLU 4 Cb 0.41 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.69 1mnl n GLU 4 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1mnl s ILE 5 N -2.00 0.06 0.00 6.31 2.07 -1.26 0.22 121.20 126.60 1mnl s ILE 5 Ca 0.00 -2.00 0.00 0.00 -1.41 0.00 0.00 60.65 57.24 1mnl s ILE 5 Cb 0.00 -2.51 0.00 0.00 0.13 0.00 0.00 42.46 40.08 1mnl s ILE 5 CO 0.00 0.00 0.00 2.30 -1.91 0.00 0.00 174.94 175.33 1mnl n ILE 6 N -0.42 0.00 -0.56 2.00 -6.64 -1.18 -4.88 119.36 107.68 1mnl n ILE 6 Ca 0.04 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.02 1mnl n ILE 6 Cb 0.65 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.85 1mnl n ILE 6 CO 0.00 0.00 0.00 -0.67 -1.77 0.00 0.00 176.55 174.11 1mnl n ASP 7 N 0.00 0.00 -2.11 7.28 2.03 -1.26 -4.86 116.55 117.63 1mnl n ASP 7 Ca 0.00 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.03 1mnl n ASP 7 Cb 0.00 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.47 1mnl n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1mnl n ILE 8 N 0.00 3.12 0.06 5.18 3.06 -1.26 -4.63 119.36 124.89 1mnl n ILE 8 Ca 0.00 -3.33 0.00 0.00 -2.50 0.00 0.00 62.75 56.92 1mnl n ILE 8 Cb 0.00 -1.04 0.00 0.00 0.54 0.00 0.00 39.64 39.14 1mnl n ILE 8 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1mnl n GLY 9 N -0.87 -0.11 0.00 4.50 0.00 -1.26 -4.84 105.19 102.60 1mnl n GLY 9 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1mnl n GLY 9 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mnl n PRO 10 N -3.21 0.00 -0.51 1.61 -0.04 -1.26 -3.02 135.00 128.57 1mnl n PRO 10 Ca 0.00 0.00 0.42 0.00 -0.04 0.00 0.00 63.50 63.88 1mnl n PRO 10 Cb 0.10 -0.09 0.70 0.00 -0.04 0.00 0.00 33.50 34.17 1mnl n PRO 10 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1mnl h PHE 11 N 0.00 0.42 -0.27 0.54 0.04 -1.96 1.30 116.94 117.00 1mnl h PHE 11 Ca 0.00 0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.85 1mnl h PHE 11 Cb 0.00 -0.10 -0.08 0.00 2.20 0.00 0.00 35.95 37.98 1mnl h PHE 11 CO 0.00 -0.23 -0.30 1.79 -0.60 0.00 0.00 178.31 178.98 1mnl h THR 12 N 0.01 0.29 0.00 -1.55 1.35 -1.82 1.10 112.91 112.29 1mnl h THR 12 Ca 0.89 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 66.72 1mnl h THR 12 Cb 2.98 0.29 -0.00 0.00 -1.73 0.00 0.00 68.15 69.69 1mnl h THR 12 CO -0.38 0.00 -0.11 -0.61 -0.25 0.00 0.00 175.52 174.17 1mnl h GLN 13 N -0.29 0.00 0.09 4.72 4.15 0.17 -2.82 115.11 121.14 1mnl h GLN 13 Ca 0.14 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.55 1mnl h GLN 13 Cb 0.52 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.21 1mnl h GLN 13 CO -0.44 0.11 -0.05 -0.91 -1.93 0.00 0.00 178.83 175.62 1mnl h ASN 14 N 0.00 -0.11 -0.73 -0.69 4.21 0.16 -3.11 115.58 115.32 1mnl h ASN 14 Ca -0.00 -0.46 0.09 0.00 1.21 0.00 0.00 56.30 57.13 1mnl h ASN 14 Cb 0.28 0.03 -0.11 0.00 -1.12 0.00 0.00 38.32 37.39 1mnl h ASN 14 CO 0.01 0.46 -0.52 0.25 -1.29 0.00 0.00 177.43 176.35 1mnl h LEU 15 N -0.74 -1.83 -0.83 1.61 7.12 0.11 1.30 115.31 122.04 1mnl h LEU 15 Ca -0.01 0.28 0.21 0.00 0.13 0.00 0.00 57.88 58.49 1mnl h LEU 15 Cb 0.56 0.81 -0.14 0.00 -0.53 0.00 0.00 40.66 41.37 1mnl h LEU 15 CO 0.02 -0.31 0.13 1.23 -0.13 0.00 0.00 178.44 179.38 1mnl h GLY 16 N -0.17 1.13 0.00 3.75 0.00 -1.61 0.99 103.07 107.16 1mnl h GLY 16 Ca 0.16 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1mnl h GLY 16 CO -0.79 -0.34 0.00 0.28 0.00 0.00 0.00 176.54 175.70 1mnl n LYS 17 N -5.29 0.00 -0.53 4.80 4.76 0.27 -2.69 118.16 119.48 1mnl n LYS 17 Ca 0.18 0.00 0.41 0.00 -2.87 0.00 0.00 58.31 56.03 1mnl n LYS 17 Cb 0.59 -0.40 0.62 0.00 -1.84 0.00 0.00 35.03 34.01 1mnl n LYS 17 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1mnl n PHE 18 N -0.65 0.00 0.00 2.13 3.72 0.37 -0.18 117.46 122.84 1mnl n PHE 18 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1mnl n PHE 18 Cb 0.00 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.16 1mnl n PHE 18 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mnl n ALA 19 N -2.67 0.00 -0.23 4.37 0.00 0.34 -0.73 120.51 121.59 1mnl n ALA 19 Ca 0.34 -0.04 0.31 0.00 0.00 0.00 0.00 53.44 54.05 1mnl n ALA 19 Cb 1.57 0.00 0.59 0.00 0.00 0.00 0.00 19.45 21.61 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 0.12 0.00 0.00 2.07 -1.07 1.95 116.25 119.32 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 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1mnl h VAL 20 CO 0.00 0.00 -0.25 -0.78 0.02 0.00 0.00 177.57 176.56 1mnl h ASP 21 N 0.00 0.00 -0.59 0.57 1.82 -0.69 -2.40 116.42 115.13 1mnl h ASP 21 Ca 0.50 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 57.13 1mnl h ASP 21 Cb 2.60 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 42.58 1mnl h ASP 21 CO -0.01 0.49 0.30 -0.33 -1.61 0.00 0.00 179.24 178.09 1mnl h GLU 22 N -0.74 0.85 0.12 0.28 4.39 0.23 1.91 114.58 121.61 1mnl h GLU 22 Ca 0.00 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1mnl h GLU 22 Cb 0.25 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1mnl h GLU 22 CO 0.00 0.67 -0.10 0.93 -1.16 0.00 0.00 179.01 179.35 1mnl h GLU 23 N 0.81 -0.23 -0.14 2.33 5.08 0.29 2.04 114.58 124.75 1mnl h GLU 23 Ca 0.21 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1mnl h GLU 23 Cb 0.09 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1mnl h GLU 23 CO -0.03 -0.15 0.04 -0.97 -1.00 0.00 0.00 179.01 176.89 1mnl h ASN 24 N -0.24 0.22 -0.82 1.42 -0.73 -0.85 0.54 115.58 115.12 1mnl h ASN 24 Ca 0.00 -0.23 0.05 0.00 1.87 0.00 0.00 56.30 57.99 1mnl h ASN 24 Cb 0.22 -0.06 -0.06 0.00 0.27 0.00 0.00 38.32 38.70 1mnl h ASN 24 CO -0.02 0.39 0.51 0.50 -0.37 0.00 0.00 177.43 178.44 1mnl h LYS 25 N 0.04 0.93 0.00 6.67 3.64 0.34 0.77 116.57 128.95 1mnl h LYS 25 Ca 0.05 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1mnl h LYS 25 Cb 0.26 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1mnl h LYS 25 CO 0.00 0.61 0.00 0.97 -2.27 0.00 0.00 179.45 178.76 1mnl h ILE 26 N 0.95 0.00 0.00 2.00 6.09 0.36 -3.45 117.51 123.46 1mnl h ILE 26 Ca 0.35 -0.31 0.00 0.00 -1.37 0.00 0.00 64.86 63.53 1mnl h ILE 26 Cb 0.11 1.13 0.00 0.00 0.47 0.00 0.00 36.82 38.53 1mnl h ILE 26 CO -0.15 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 175.54 1mnl n GLY 27 N -0.05 0.82 2.81 8.18 0.00 0.24 -5.05 105.19 112.14 1mnl n GLY 27 Ca 0.01 -0.22 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 1mnl n GLY 27 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1mnl s GLN 28 N 0.00 1.02 -0.37 1.61 2.00 0.18 -4.90 119.66 119.19 1mnl s GLN 28 Ca 0.00 -1.01 0.07 0.00 -2.00 0.00 0.00 55.36 52.42 1mnl s GLN 28 Cb 0.00 -0.14 0.61 0.00 0.80 0.00 0.00 33.01 34.28 1mnl s GLN 28 CO 0.00 -1.31 1.72 2.48 -0.50 0.00 0.00 175.29 177.68 1mnl n TYR 29 N 3.20 2.18 -0.34 1.67 4.11 -1.26 -1.96 117.16 124.75 1mnl n TYR 29 Ca 0.18 -1.68 0.02 0.00 -0.00 0.00 0.00 57.90 56.42 1mnl n TYR 29 Cb 0.55 -0.73 0.09 0.00 -0.00 0.00 0.00 39.34 39.25 1mnl n TYR 29 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.86 177.64 1mnl h GLY 30 N 1.16 0.41 0.00 -7.48 0.00 -1.96 -3.45 103.07 91.75 1mnl h GLY 30 Ca 0.43 0.39 0.00 0.00 0.00 0.00 0.00 47.33 48.15 1mnl h GLY 30 CO 0.77 -0.29 0.00 0.54 0.00 0.00 0.00 176.54 177.56 1mnl n ARG 31 N -5.54 0.00 -4.10 4.80 1.74 -1.26 -5.16 116.66 107.14 1mnl n ARG 31 Ca 0.12 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.11 1mnl n ARG 31 Cb 0.44 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.78 1mnl n ARG 31 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1mnl s LEU 32 N -0.90 1.69 -0.40 0.55 2.34 -1.26 -5.00 118.68 115.69 1mnl s LEU 32 Ca 0.00 -1.12 0.11 0.00 0.06 0.00 0.00 54.13 53.18 1mnl s LEU 32 Cb 0.00 0.46 0.42 0.00 -0.56 0.00 0.00 46.19 46.51 1mnl s LEU 32 CO 0.00 -0.74 0.98 0.35 -1.06 0.00 0.00 176.35 175.88 1mnl n THR 33 N -0.09 1.62 -3.25 5.48 -2.24 -1.26 -4.55 114.28 109.99 1mnl n THR 33 Ca -0.07 -4.27 0.03 0.00 -2.27 0.00 0.00 64.05 57.48 1mnl n THR 33 Cb 0.63 -0.43 -0.02 0.00 -2.10 0.00 0.00 70.33 68.41 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 -3.24 -1.25 0.20 4.78 5.36 -1.26 -4.27 117.98 118.31 1mnl s PHE 34 Ca 0.39 1.51 0.00 0.00 -0.96 0.00 0.00 56.93 57.87 1mnl s PHE 34 Cb 0.40 0.51 0.00 0.00 -0.34 0.00 0.00 43.02 43.59 1mnl s PHE 34 CO -0.08 -0.67 0.00 -1.71 -1.46 0.00 0.00 175.22 171.30 1mnl n ASN 35 N 5.40 -1.23 0.00 6.13 4.05 -1.26 -4.57 115.26 123.78 1mnl n ASN 35 Ca -0.05 0.38 0.00 0.00 0.45 0.00 0.00 54.58 55.36 1mnl n ASN 35 Cb 0.51 1.32 0.00 0.00 1.23 0.00 0.00 39.78 42.85 1mnl n ASN 35 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1mnl n LYS 36 N -3.01 0.00 -3.85 1.20 5.02 -1.16 -4.92 118.16 111.44 1mnl n LYS 36 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 1mnl n LYS 36 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 1mnl n LYS 36 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1mnl s VAL 37 N 0.00 0.00 -0.07 -0.18 1.01 0.40 -4.94 120.40 116.62 1mnl s VAL 37 Ca 0.00 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 60.98 1mnl s VAL 37 Cb 0.00 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 34.13 1mnl s VAL 37 CO 0.00 0.00 -0.12 -0.51 0.00 0.00 0.00 175.10 174.47 1mnl s ILE 38 N -3.46 1.14 0.18 2.22 -1.16 -1.26 -1.35 121.20 117.51 1mnl s ILE 38 Ca 0.13 -0.47 0.00 0.00 -0.51 0.00 0.00 60.65 59.80 1mnl s ILE 38 Cb -0.06 -1.05 0.00 0.00 0.61 0.00 0.00 42.46 41.96 1mnl s ILE 38 CO 0.08 0.36 0.00 0.54 -2.81 0.00 0.00 174.94 173.11 1mnl n ARG 39 N 3.91 0.00 -1.15 3.50 5.12 -1.26 -4.58 116.66 122.19 1mnl n ARG 39 Ca -0.22 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.51 1mnl n ARG 39 Cb 0.52 -0.20 -0.05 0.00 -1.16 0.00 0.00 32.46 31.57 1mnl n ARG 39 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1mnl n PRO 40 N -3.35 2.05 -2.93 5.56 -0.04 -1.20 -4.89 135.00 130.19 1mnl n PRO 40 Ca 0.00 -1.68 -0.43 0.00 -0.04 0.00 0.00 63.50 61.35 1mnl n PRO 40 Cb 0.04 -1.88 -0.05 0.00 -0.04 0.00 0.00 33.50 31.57 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 3.31 2.23 -0.13 0.00 -1.94 0.14 -3.07 119.30 119.83 1mnl s MET 42 Ca 0.32 -2.06 -0.17 0.00 -1.71 0.00 0.00 55.69 52.07 1mnl s MET 42 Cb -0.12 -2.09 0.04 0.00 2.01 0.00 0.00 34.83 34.67 1mnl s MET 42 CO 0.21 -0.69 0.44 -1.59 -0.01 0.00 0.00 175.02 173.39 1mnl s LYS 43 N -4.32 0.59 -0.23 2.03 0.00 0.60 -2.73 119.74 115.67 1mnl s LYS 43 Ca 0.33 0.46 -0.04 0.00 0.00 0.00 0.00 55.97 56.72 1mnl s LYS 43 Cb -0.03 0.28 0.08 0.00 0.00 0.00 0.00 37.83 38.16 1mnl s LYS 43 CO 0.21 -0.10 0.09 0.15 0.00 0.00 0.00 175.35 175.70 1mnl s LYS 44 N -0.13 0.30 0.16 1.78 3.01 -0.72 0.13 119.74 124.27 1mnl s LYS 44 Ca -0.03 -0.41 0.09 0.00 -1.01 0.00 0.00 55.97 54.61 1mnl s LYS 44 Cb -0.03 -1.69 -0.04 0.00 -1.01 0.00 0.00 37.83 35.05 1mnl s LYS 44 CO 0.02 -0.81 -0.20 0.99 0.51 0.00 0.00 175.35 175.86 1mnl s THR 45 N 2.01 1.89 -0.29 2.17 2.01 -0.97 -2.33 115.64 120.15 1mnl s THR 45 Ca 0.04 -1.88 0.09 0.00 0.31 0.00 0.00 61.69 60.26 1mnl s THR 45 Cb -0.16 -1.85 0.46 0.00 0.01 0.00 0.00 72.50 70.96 1mnl s THR 45 CO -0.20 -0.24 1.18 2.30 -0.69 0.00 0.00 174.62 176.98 1mnl n ILE 46 N 0.42 2.39 0.00 1.82 -5.35 -1.11 -0.72 119.36 116.80 1mnl n ILE 46 Ca -0.14 -4.06 0.00 0.00 -0.27 0.00 0.00 62.75 58.28 1mnl n ILE 46 Cb 0.56 -0.86 0.00 0.00 -1.74 0.00 0.00 39.64 37.60 1mnl n ILE 46 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1mnl n TYR 47 N -0.70 -0.00 0.00 4.28 4.11 -0.88 -2.91 117.16 121.05 1mnl n TYR 47 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.30 1mnl n TYR 47 Cb 0.95 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.29 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 1.58 0.00 -3.48 0.28 -1.26 -4.03 120.64 113.73 1mnl n GLU 48 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1mnl n GLU 48 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1mnl n GLU 48 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1mnl n ASN 49 N 0.00 0.00 0.00 -1.84 4.13 -1.26 -3.88 115.26 112.41 1mnl n ASN 49 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1mnl n ASN 49 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1mnl n ASN 49 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 1mnl n GLU 50 N -1.04 1.61 -0.19 3.52 0.28 -1.26 -4.98 120.64 118.58 1mnl n GLU 50 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1mnl n GLU 50 Cb 0.00 -0.72 0.00 0.00 1.43 0.00 0.00 31.44 32.15 1mnl n GLU 50 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 1mnl n ARG 51 N -1.21 0.00 0.00 3.44 1.85 -1.26 -5.15 116.66 114.33 1mnl n ARG 51 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1mnl n ARG 51 Cb 0.22 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.63 1mnl n ARG 51 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1mnl n GLU 52 N 0.00 3.83 -3.63 2.89 -0.58 -1.26 -5.09 120.64 116.80 1mnl n GLU 52 Ca 0.00 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.66 1mnl n GLU 52 Cb 0.22 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.02 1mnl n GLU 52 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 1mnl s ILE 53 N 2.75 0.00 0.00 -3.67 1.10 -1.26 -4.27 121.20 115.84 1mnl s ILE 53 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.14 1mnl s ILE 53 Cb 0.00 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.61 1mnl s ILE 53 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 174.94 173.12 1mnl n LYS 54 N 1.70 0.00 -4.15 3.50 5.02 -1.26 -3.46 118.16 119.51 1mnl n LYS 54 Ca -0.11 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.08 1mnl n LYS 54 Cb 0.57 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.48 1mnl n LYS 54 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1mnl s GLY 55 N -2.82 1.13 -0.38 0.72 0.00 -1.14 0.29 107.32 105.12 1mnl s GLY 55 Ca 0.00 -1.51 0.05 0.00 0.00 0.00 0.00 44.72 43.26 1mnl s GLY 55 CO 0.00 -1.31 0.46 -0.47 0.00 0.00 0.00 173.10 171.78 1mnl s TYR 56 N -4.09 -0.82 0.26 1.90 5.04 0.63 -2.08 117.35 118.19 1mnl s TYR 56 Ca 0.30 -0.40 0.09 0.00 -2.44 0.00 0.00 57.07 54.63 1mnl s TYR 56 Cb 0.07 -0.15 -0.04 0.00 0.35 0.00 0.00 41.96 42.18 1mnl s TYR 56 CO 0.07 -1.04 0.02 -2.00 -1.34 0.00 0.00 175.55 171.25 1mnl s GLU 57 N 1.64 2.37 0.25 4.97 2.12 -0.98 -1.24 118.70 127.83 1mnl s GLU 57 Ca 0.16 -1.36 -0.17 0.00 0.36 0.00 0.00 54.97 53.96 1mnl s GLU 57 Cb -0.11 -2.22 0.01 0.00 0.26 0.00 0.00 34.13 32.07 1mnl s GLU 57 CO -0.06 0.38 0.60 1.52 -0.54 0.00 0.00 175.26 177.16 1mnl s TYR 58 N -2.26 0.02 -0.05 5.30 1.13 0.38 -1.76 117.35 120.11 1mnl s TYR 58 Ca 0.31 -0.43 -0.01 0.00 -1.41 0.00 0.00 57.07 55.53 1mnl s TYR 58 Cb -0.07 0.47 0.03 0.00 -1.10 0.00 0.00 41.96 41.29 1mnl s TYR 58 CO 0.20 -1.10 0.03 -0.65 -2.51 0.00 0.00 175.55 171.52 1mnl s GLN 59 N -3.95 0.24 -0.61 -3.49 -0.21 -1.11 -2.82 119.66 107.71 1mnl s GLN 59 Ca 0.15 0.24 0.04 0.00 0.02 0.00 0.00 55.36 55.81 1mnl s GLN 59 Cb -0.03 -0.70 0.15 0.00 1.00 0.00 0.00 33.01 33.43 1mnl s GLN 59 CO 0.06 -0.30 0.40 -1.17 -2.12 0.00 0.00 175.29 172.16 1mnl s LEU 60 N 1.97 4.30 -0.41 2.90 2.96 -1.14 0.24 118.68 129.50 1mnl s LEU 60 Ca 0.04 -3.47 -0.29 0.00 -0.22 0.00 0.00 54.13 50.19 1mnl s LEU 60 Cb -0.12 -1.52 0.01 0.00 0.50 0.00 0.00 46.19 45.06 1mnl s LEU 60 CO -0.04 -0.15 1.40 -0.47 -1.32 0.00 0.00 176.35 175.77 1mnl s TYR 61 N -0.88 2.42 0.00 5.38 5.04 -1.06 -2.44 117.35 125.81 1mnl s TYR 61 Ca 0.22 0.68 0.00 0.00 -2.44 0.00 0.00 57.07 55.54 1mnl s TYR 61 Cb -0.12 -4.30 0.00 0.00 0.35 0.00 0.00 41.96 37.89 1mnl s TYR 61 CO -0.11 -1.95 0.00 1.33 -1.34 0.00 0.00 175.55 173.48 1mnl n VAL 62 N 7.03 0.00 -4.18 3.14 0.24 0.74 -3.23 118.33 122.06 1mnl n VAL 62 Ca 0.16 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.28 1mnl n VAL 62 Cb 0.48 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.70 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 -3.87 0.61 0.00 6.34 6.14 -0.46 -0.85 117.35 125.26 1mnl s TYR 63 Ca 0.00 -0.13 0.00 0.00 0.64 0.00 0.00 57.07 57.58 1mnl s TYR 63 Cb 0.00 -0.48 0.00 0.00 0.42 0.00 0.00 41.96 41.90 1mnl s TYR 63 CO 0.00 -0.09 0.00 0.00 0.64 0.00 0.00 175.55 176.10 1mnl n ALA 64 N 3.45 0.00 -0.06 3.97 0.00 -0.21 -0.45 120.51 127.21 1mnl n ALA 64 Ca -0.19 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.05 1mnl n ALA 64 Cb 0.54 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.86 1mnl n ALA 64 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1mnl n SER 65 N 0.00 2.05 0.00 0.00 3.41 -1.26 -2.99 113.62 114.84 1mnl n SER 65 Ca 0.00 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1mnl n SER 65 Cb 0.00 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.32 1mnl n SER 65 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1mnl n ASP 66 N -3.37 0.47 -4.24 4.04 5.68 -1.26 -4.92 116.55 112.94 1mnl n ASP 66 Ca -0.39 -0.83 -0.43 0.00 -0.50 0.00 0.00 54.79 52.64 1mnl n ASP 66 Cb 1.02 0.15 -0.04 0.00 -1.14 0.00 0.00 41.12 41.10 1mnl n ASP 66 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1mnl s LYS 67 N -0.15 3.31 -1.03 0.11 2.36 -1.26 -4.63 119.74 118.45 1mnl s LYS 67 Ca 0.00 -2.59 -0.01 0.00 -2.55 0.00 0.00 55.97 50.82 1mnl s LYS 67 Cb 0.00 -4.19 0.32 0.00 -1.05 0.00 0.00 37.83 32.90 1mnl s LYS 67 CO 0.00 -1.25 1.79 1.28 1.55 0.00 0.00 175.35 178.72 1mnl n LEU 68 N 3.62 7.25 0.00 5.43 4.77 -1.26 -1.04 117.00 135.77 1mnl n LEU 68 Ca 0.13 -5.38 0.00 0.00 -0.03 0.00 0.00 56.01 50.73 1mnl n LEU 68 Cb 0.43 -1.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.35 1mnl n LEU 68 CO 0.34 2.02 0.00 0.33 -1.33 0.00 0.00 177.39 178.76 1mnl n PHE 69 N 0.06 0.00 -3.67 -1.77 7.35 -0.03 -0.54 117.46 118.86 1mnl n PHE 69 Ca 0.45 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 57.02 1mnl n PHE 69 Cb 0.27 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.04 1mnl n PHE 69 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 1mnl s ARG 70 N 0.00 0.95 -0.22 -4.13 3.52 -1.19 0.26 118.95 118.14 1mnl s ARG 70 Ca 0.00 -0.48 0.01 0.00 -0.13 0.00 0.00 55.73 55.14 1mnl s ARG 70 Cb 0.00 0.42 0.04 0.00 -1.56 0.00 0.00 34.95 33.85 1mnl s ARG 70 CO 0.00 -0.34 -0.14 0.00 -0.81 0.00 0.00 175.30 174.01 1mnl s ALA 71 N -2.87 2.48 0.49 6.12 0.00 -1.02 0.21 121.76 127.17 1mnl s ALA 71 Ca -0.03 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.47 1mnl s ALA 71 Cb 0.00 -1.42 0.01 0.00 0.00 0.00 0.00 23.12 21.71 1mnl s ALA 71 CO -0.05 -0.74 0.71 -0.51 0.00 0.00 0.00 175.76 175.17 1mnl s ASP 72 N 1.23 5.64 -0.30 0.00 1.11 0.25 -2.91 116.67 121.69 1mnl s ASP 72 Ca -0.01 0.19 -0.05 0.00 0.18 0.00 0.00 52.55 52.86 1mnl s ASP 72 Cb -0.16 -1.31 0.16 0.00 1.07 0.00 0.00 42.92 42.68 1mnl s ASP 72 CO -0.09 -0.86 0.61 -0.51 1.18 0.00 0.00 175.17 175.51 1mnl s ILE 73 N -2.64 -0.99 0.00 0.77 -1.16 -1.13 -1.13 121.20 114.94 1mnl s ILE 73 Ca 0.52 0.00 0.03 0.00 -0.51 0.00 0.00 60.65 60.68 1mnl s ILE 73 Cb -0.10 -0.99 -0.03 0.00 0.61 0.00 0.00 42.46 41.94 1mnl s ILE 73 CO 0.38 -0.00 -0.04 -0.55 -2.81 0.00 0.00 174.94 171.92 1mnl s SER 74 N 2.87 4.80 -0.30 4.50 0.15 0.19 -0.47 113.70 125.44 1mnl s SER 74 Ca 0.09 -0.10 -0.05 0.00 0.70 0.00 0.00 55.95 56.59 1mnl s SER 74 Cb -0.14 -1.17 0.19 0.00 -1.71 0.00 0.00 66.02 63.20 1mnl s SER 74 CO -0.20 0.28 0.84 -1.61 1.20 0.00 0.00 173.24 173.75 1mnl s GLU 75 N -1.49 0.35 0.00 5.44 2.02 -0.37 -0.59 118.70 124.05 1mnl s GLU 75 Ca 0.18 0.46 0.00 0.00 0.02 0.00 0.00 54.97 55.63 1mnl s GLU 75 Cb -0.11 0.23 0.00 0.00 0.10 0.00 0.00 34.13 34.35 1mnl s GLU 75 CO 0.09 -0.53 0.00 -0.40 0.02 0.00 0.00 175.26 174.43 1mnl n ASP 76 N 5.34 0.00 0.00 -0.19 5.75 -0.42 0.23 116.55 127.26 1mnl n ASP 76 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.80 1mnl n ASP 76 Cb 0.55 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 1mnl n ASP 76 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1mnl n TYR 77 N 0.00 0.00 -0.00 2.11 4.19 0.83 -4.14 117.16 120.15 1mnl n TYR 77 Ca 0.00 0.00 -0.00 0.00 3.31 0.00 0.00 57.90 61.21 1mnl n TYR 77 Cb 0.00 0.00 -0.00 0.00 0.49 0.00 0.00 39.34 39.83 1mnl n TYR 77 CO 0.00 0.00 0.00 1.17 0.91 0.00 0.00 176.86 178.94 1mnl n LYS 78 N 0.00 3.14 0.17 2.98 4.81 0.12 -4.54 118.16 124.83 1mnl n LYS 78 Ca 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.57 1mnl n LYS 78 Cb 0.00 -1.00 0.55 0.00 0.02 0.00 0.00 35.03 34.60 1mnl n LYS 78 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1mnl h THR 79 N 0.00 0.00 -3.28 3.15 2.02 -1.77 -3.48 112.91 109.55 1mnl h THR 79 Ca -0.00 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1mnl h THR 79 Cb 1.01 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 1mnl h THR 79 CO 0.00 0.00 -0.41 0.54 0.37 0.00 0.00 175.52 176.02 1mnl n ARG 80 N -2.45 -1.48 0.00 6.66 5.12 -1.26 -5.10 116.66 118.15 1mnl n ARG 80 Ca 0.02 1.44 0.00 0.00 -1.93 0.00 0.00 57.85 57.38 1mnl n ARG 80 Cb 0.24 -2.05 0.00 0.00 -1.16 0.00 0.00 32.46 29.49 1mnl n ARG 80 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1mnl n GLY 81 N 0.53 0.94 0.00 -0.13 0.00 -1.26 -4.94 105.19 100.34 1mnl n GLY 81 Ca -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 0.00 -3.62 1.61 1.74 -1.26 -4.84 116.66 110.29 1mnl n ARG 82 Ca 0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 1mnl n ARG 82 Cb 0.00 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.31 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 1.26 0.16 0.00 5.56 1.02 -1.26 -1.30 119.74 125.18 1mnl s LYS 83 Ca 0.00 0.64 0.00 0.00 0.02 0.00 0.00 55.97 56.63 1mnl s LYS 83 Cb 0.00 -0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.05 1mnl s LYS 83 CO 0.00 -0.37 0.00 1.47 -0.92 0.00 0.00 175.35 175.53 1mnl n LEU 84 N 5.35 0.00 -3.84 3.17 -0.00 0.25 -4.96 117.00 116.96 1mnl n LEU 84 Ca -0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.94 1mnl n LEU 84 Cb 0.50 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.92 1mnl n LEU 84 CO 0.04 0.00 0.88 -1.48 -0.00 0.00 0.00 177.39 176.83 1mnl s LEU 85 N 0.00 -0.04 0.01 1.47 2.34 -1.26 -0.64 118.68 120.56 1mnl s LEU 85 Ca 0.00 -0.47 -0.15 0.00 0.06 0.00 0.00 54.13 53.57 1mnl s LEU 85 Cb 0.00 1.87 0.02 0.00 -0.56 0.00 0.00 46.19 47.53 1mnl s LEU 85 CO 0.00 -0.76 0.33 -0.13 -1.06 0.00 0.00 176.35 174.73 1mnl s ARG 86 N -2.40 0.75 -0.57 1.48 0.52 -0.28 -4.84 118.95 113.60 1mnl s ARG 86 Ca 0.20 -0.30 -0.12 0.00 -0.52 0.00 0.00 55.73 54.99 1mnl s ARG 86 Cb -0.01 0.33 0.15 0.00 0.52 0.00 0.00 34.95 35.94 1mnl s ARG 86 CO 0.02 -0.23 0.48 -0.06 0.02 0.00 0.00 175.30 175.54 1mnl s PHE 87 N -1.86 3.43 0.06 -0.53 0.40 -1.26 0.88 117.98 119.10 1mnl s PHE 87 Ca -0.10 -1.77 -0.31 0.00 -0.60 0.00 0.00 56.93 54.16 1mnl s PHE 87 Cb -0.03 -3.64 -0.08 0.00 0.51 0.00 0.00 43.02 39.79 1mnl s PHE 87 CO 0.01 -0.99 1.55 1.21 0.70 0.00 0.00 175.22 177.70 1mnl s ASN 88 N 2.74 6.69 0.00 1.36 3.84 0.58 -4.60 114.94 125.54 1mnl s ASN 88 Ca 0.08 2.37 0.00 0.00 0.21 0.00 0.00 52.86 55.52 1mnl s ASN 88 Cb -0.24 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 37.89 1mnl s ASN 88 CO -0.01 -0.82 0.00 0.61 -2.79 0.00 0.00 177.10 174.09 1mnl n GLY 89 N 3.83 0.00 3.52 1.21 0.00 -1.26 -3.16 105.19 109.33 1mnl n GLY 89 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1mnl n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mnl n PRO 90 N 0.00 2.39 0.00 1.61 -0.04 -1.26 -4.14 135.00 133.56 1mnl n PRO 90 Ca 0.00 -2.82 0.07 0.00 -0.04 0.00 0.00 63.50 60.71 1mnl n PRO 90 Cb 0.00 -3.57 0.44 0.00 -0.04 0.00 0.00 33.50 30.33 1mnl n PRO 90 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01