#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 0.00 -4.12 1.61 1.02 0.51 -4.28 120.64 115.38 1mnl n GLU 2 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 1mnl n GLU 2 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 1mnl n GLU 2 CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 1mnl s TRP 3 N 0.00 0.85 0.00 -0.32 1.48 -1.26 -0.21 118.94 119.48 1mnl s TRP 3 Ca 0.00 -1.13 0.00 0.00 -1.06 0.00 0.00 56.10 53.91 1mnl s TRP 3 Cb 0.00 -0.30 0.00 0.00 -1.16 0.00 0.00 33.47 32.01 1mnl s TRP 3 CO 0.00 -0.74 0.00 -1.91 -4.06 0.00 0.00 176.95 170.24 1mnl n GLU 4 N -0.28 0.00 -0.30 3.25 4.07 0.46 -4.91 120.64 122.92 1mnl n GLU 4 Ca -0.00 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 57.01 1mnl n GLU 4 Cb 0.64 0.00 0.07 0.00 -0.06 0.00 0.00 31.44 32.10 1mnl n GLU 4 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 1mnl n ILE 5 N 0.00 0.00 0.00 6.31 -5.35 -1.26 -2.36 119.36 116.70 1mnl n ILE 5 Ca 0.00 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 1mnl n ILE 5 Cb 0.00 -1.06 0.00 0.00 -1.74 0.00 0.00 39.64 36.84 1mnl n ILE 5 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1mnl n ILE 6 N -3.18 0.00 -1.30 7.28 2.08 -0.96 -4.74 119.36 118.55 1mnl n ILE 6 Ca 0.04 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.35 1mnl n ILE 6 Cb 0.17 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.06 1mnl n ILE 6 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1mnl n ASP 7 N 0.00 0.16 -2.48 4.38 8.00 -1.26 -4.96 116.55 120.40 1mnl n ASP 7 Ca 0.00 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.20 1mnl n ASP 7 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.12 1mnl n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mnl n ILE 8 N 0.00 2.80 0.22 0.53 3.06 -1.26 -4.63 119.36 120.07 1mnl n ILE 8 Ca 0.00 -4.47 0.00 0.00 -2.50 0.00 0.00 62.75 55.78 1mnl n ILE 8 Cb 0.00 -1.23 0.00 0.00 0.54 0.00 0.00 39.64 38.95 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 -0.58 -1.63 0.07 4.50 0.00 -1.26 -4.91 105.19 101.39 1mnl n GLY 9 Ca 0.46 0.32 -0.03 0.00 0.00 0.00 0.00 46.02 46.77 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 -0.16 0.00 1.61 0.13 -1.99 -3.15 132.00 128.45 1mnl h PRO 10 Ca 0.00 0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.12 1mnl h PRO 10 Cb 0.00 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.16 1mnl h PRO 10 CO 0.00 -0.11 -0.09 0.74 -0.23 0.00 0.00 178.00 178.31 1mnl h PHE 11 N -0.21 0.00 -0.42 1.56 -1.00 -1.96 -2.43 116.94 112.48 1mnl h PHE 11 Ca -0.02 0.00 0.09 0.00 2.81 0.00 0.00 57.97 60.85 1mnl h PHE 11 Cb 0.13 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 39.59 1mnl h PHE 11 CO 0.15 0.09 -0.28 1.79 -1.61 0.00 0.00 178.31 178.45 1mnl h THR 12 N 0.00 0.29 0.00 -1.55 1.35 -1.81 0.79 112.91 111.97 1mnl h THR 12 Ca -0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.82 1mnl h THR 12 Cb 0.34 0.29 -0.01 0.00 -1.73 0.00 0.00 68.15 67.04 1mnl h THR 12 CO 0.01 0.00 -0.20 -0.61 -0.25 0.00 0.00 175.52 174.48 1mnl h GLN 13 N -0.20 0.00 0.62 4.72 5.75 -1.39 -3.05 115.11 121.56 1mnl h GLN 13 Ca 0.19 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.66 1mnl h GLN 13 Cb 0.51 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.06 1mnl h GLN 13 CO -0.54 0.20 -0.30 -0.91 -2.65 0.00 0.00 178.83 174.63 1mnl h ASN 14 N 0.00 -0.71 -0.27 -0.69 -0.26 0.59 -2.70 115.58 111.54 1mnl h ASN 14 Ca -0.00 -0.01 0.02 0.00 -0.56 0.00 0.00 56.30 55.75 1mnl h ASN 14 Cb 0.35 0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 37.76 1mnl h ASN 14 CO 0.03 -0.34 -0.18 0.25 -1.06 0.00 0.00 177.43 176.13 1mnl h LEU 15 N -1.14 -0.64 -1.90 1.61 5.85 -0.44 2.10 115.31 120.76 1mnl h LEU 15 Ca -0.09 0.09 0.45 0.00 0.84 0.00 0.00 57.88 59.18 1mnl h LEU 15 Cb 0.68 0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.93 1mnl h LEU 15 CO 0.14 -0.08 1.17 1.23 -0.34 0.00 0.00 178.44 180.56 1mnl h GLY 16 N -0.02 0.00 0.00 3.75 0.00 -1.60 0.56 103.07 105.76 1mnl h GLY 16 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1mnl h GLY 16 CO -0.26 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.56 1mnl n LYS 17 N -3.94 0.00 -0.41 4.80 4.76 0.66 -2.50 118.16 121.54 1mnl n LYS 17 Ca 0.34 0.00 0.39 0.00 -2.87 0.00 0.00 58.31 56.17 1mnl n LYS 17 Cb 1.64 -0.21 0.64 0.00 -1.84 0.00 0.00 35.03 35.26 1mnl n LYS 17 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 1mnl h PHE 18 N 0.00 0.00 0.00 2.13 0.04 0.03 -0.32 116.94 118.82 1mnl h PHE 18 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1mnl h PHE 18 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1mnl h PHE 18 CO 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.71 1mnl n ALA 19 N -2.57 0.00 -0.19 2.45 0.00 0.19 -1.20 120.51 119.20 1mnl n ALA 19 Ca 0.31 -0.01 0.28 0.00 0.00 0.00 0.00 53.44 54.01 1mnl n ALA 19 Cb 1.65 0.00 0.48 0.00 0.00 0.00 0.00 19.45 21.58 1mnl n ALA 19 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1mnl h VAL 20 N 0.00 0.04 0.00 0.00 3.04 -1.00 1.52 116.25 119.85 1mnl h VAL 20 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1mnl h VAL 20 Cb 0.00 0.08 0.00 0.00 -2.01 0.00 0.00 31.29 29.36 1mnl h VAL 20 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.57 175.89 1mnl n ASP 21 N -3.31 0.00 0.17 3.17 2.03 -0.22 -2.65 116.55 115.75 1mnl n ASP 21 Ca 0.22 0.14 0.14 0.00 0.52 0.00 0.00 54.79 55.80 1mnl n ASP 21 Cb 1.44 -0.38 0.71 0.00 -0.72 0.00 0.00 41.12 42.17 1mnl n ASP 21 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1mnl h GLU 22 N 0.00 0.00 0.35 -0.67 3.07 -0.81 1.19 114.58 117.71 1mnl h GLU 22 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1mnl h GLU 22 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1mnl h GLU 22 CO 0.00 0.00 -0.17 1.49 -1.40 0.00 0.00 179.01 178.93 1mnl h GLU 23 N 0.00 -0.45 -0.16 2.33 4.81 0.21 0.85 114.58 122.17 1mnl h GLU 23 Ca 0.09 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.40 1mnl h GLU 23 Cb 0.39 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.82 1mnl h GLU 23 CO -0.00 -0.23 -0.15 -0.91 -0.73 0.00 0.00 179.01 176.98 1mnl h ASN 24 N -1.09 -0.49 -0.51 1.04 -0.26 -1.19 0.17 115.58 113.26 1mnl h ASN 24 Ca -0.05 0.09 0.10 0.00 -0.56 0.00 0.00 56.30 55.89 1mnl h ASN 24 Cb 0.42 0.24 -0.08 0.00 -1.06 0.00 0.00 38.32 37.83 1mnl h ASN 24 CO 0.08 -0.20 -0.01 0.50 -1.06 0.00 0.00 177.43 176.74 1mnl h LYS 25 N -0.18 0.10 -0.03 0.81 3.64 0.14 1.24 116.57 122.30 1mnl h LYS 25 Ca 0.11 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1mnl h LYS 25 Cb 0.33 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1mnl h LYS 25 CO -0.27 0.07 0.32 0.82 -2.27 0.00 0.00 179.45 178.12 1mnl h ILE 26 N 0.11 0.03 0.00 2.00 1.08 0.32 -3.43 117.51 117.61 1mnl h ILE 26 Ca 0.26 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.73 1mnl h ILE 26 Cb 0.39 0.69 0.00 0.00 -3.07 0.00 0.00 36.82 34.83 1mnl h ILE 26 CO -0.43 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 177.64 1mnl n GLY 27 N -1.23 1.70 2.65 5.37 0.00 0.42 -5.05 105.19 109.05 1mnl n GLY 27 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 1mnl n GLY 27 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1mnl n GLN 28 N -0.71 2.78 -0.50 1.61 -0.06 0.37 -4.84 117.38 116.02 1mnl n GLN 28 Ca 0.00 -4.70 -0.01 0.00 -2.00 0.00 0.00 57.00 50.29 1mnl n GLN 28 Cb 0.00 -2.21 0.17 0.00 -4.06 0.00 0.00 30.24 24.14 1mnl n GLN 28 CO 0.00 0.00 0.00 0.98 -0.20 0.00 0.00 177.06 177.84 1mnl n TYR 29 N 0.34 1.20 -0.39 3.69 9.36 -1.26 -3.47 117.16 126.64 1mnl n TYR 29 Ca 0.30 -0.62 -0.08 0.00 3.32 0.00 0.00 57.90 60.82 1mnl n TYR 29 Cb 0.41 -0.40 -0.06 0.00 -0.63 0.00 0.00 39.34 38.66 1mnl n TYR 29 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1mnl n GLY 30 N 0.12 -2.32 0.00 2.98 0.00 -1.26 -4.86 105.19 99.85 1mnl n GLY 30 Ca 0.19 1.10 0.00 0.00 0.00 0.00 0.00 46.02 47.31 1mnl n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mnl n ARG 31 N -5.21 0.00 -2.95 1.61 1.74 -1.26 -5.17 116.66 105.42 1mnl n ARG 31 Ca 0.04 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.96 1mnl n ARG 31 Cb 0.27 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.70 1mnl n ARG 31 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1mnl n LEU 32 N 0.00 0.00 -2.69 0.55 4.32 -1.26 -5.01 117.00 112.91 1mnl n LEU 32 Ca 0.00 -1.63 -0.07 0.00 -0.02 0.00 0.00 56.01 54.28 1mnl n LEU 32 Cb 0.00 0.03 0.10 0.00 -1.62 0.00 0.00 43.42 41.93 1mnl n LEU 32 CO 0.00 -0.40 0.37 0.41 -1.22 0.00 0.00 177.39 176.55 1mnl n THR 33 N -1.10 0.23 0.00 -5.08 -1.04 -1.26 -4.71 114.28 101.32 1mnl n THR 33 Ca -0.04 -1.85 0.00 0.00 -2.04 0.00 0.00 64.05 60.13 1mnl n THR 33 Cb 0.35 0.93 0.00 0.00 -1.82 0.00 0.00 70.33 69.79 1mnl n THR 33 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 1mnl n PHE 34 N -0.50 0.00 -0.08 -1.42 -1.74 -1.26 -3.68 117.46 108.78 1mnl n PHE 34 Ca -0.01 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.77 1mnl n PHE 34 Cb 0.84 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.77 1mnl n PHE 34 CO 0.00 0.00 0.00 -0.97 -0.56 0.00 0.00 176.76 175.23 1mnl h ASN 35 N 0.00 0.00 0.00 5.98 -0.73 -1.75 -3.46 115.58 115.62 1mnl h ASN 35 Ca 0.00 -0.41 0.00 0.00 1.87 0.00 0.00 56.30 57.76 1mnl h ASN 35 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 1mnl h ASN 35 CO 0.00 1.02 0.00 0.29 -0.37 0.00 0.00 177.43 178.37 1mnl n LYS 36 N -4.58 0.00 -3.84 6.67 4.76 -1.11 -4.94 118.16 115.11 1mnl n LYS 36 Ca -0.15 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.22 1mnl n LYS 36 Cb 0.41 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.59 1mnl n LYS 36 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1mnl s VAL 37 N 0.00 0.00 -0.38 -0.18 1.01 -0.42 -4.95 120.40 115.49 1mnl s VAL 37 Ca 0.00 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.07 1mnl s VAL 37 Cb 0.00 -2.27 0.11 0.00 0.00 0.00 0.00 36.38 34.22 1mnl s VAL 37 CO 0.00 0.00 0.10 0.27 0.00 0.00 0.00 175.10 175.47 1mnl s ILE 38 N -3.35 2.19 -0.20 2.22 -5.25 -1.26 -1.49 121.20 114.06 1mnl s ILE 38 Ca 0.13 -2.47 -0.16 0.00 -0.99 0.00 0.00 60.65 57.16 1mnl s ILE 38 Cb -0.05 -2.60 -0.09 0.00 2.95 0.00 0.00 42.46 42.67 1mnl s ILE 38 CO 0.08 -0.66 -0.22 -1.14 -1.79 0.00 0.00 174.94 171.21 1mnl n ARG 39 N 4.04 0.53 -1.50 0.37 0.00 -1.26 -4.35 116.66 114.49 1mnl n ARG 39 Ca 0.04 0.36 -0.29 0.00 -0.00 0.00 0.00 57.85 57.96 1mnl n ARG 39 Cb 0.40 -1.56 -0.06 0.00 0.00 0.00 0.00 32.46 31.23 1mnl n ARG 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1mnl n PRO 40 N -4.43 3.12 -2.99 -0.14 -0.04 -1.19 -4.84 135.00 124.48 1mnl n PRO 40 Ca -0.27 -2.36 -0.44 0.00 -0.04 0.00 0.00 63.50 60.39 1mnl n PRO 40 Cb 0.59 -2.34 -0.03 0.00 -0.04 0.00 0.00 33.50 31.68 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 2.60 4.27 0.18 0.00 -1.94 0.05 -2.28 119.30 122.19 1mnl s MET 42 Ca 0.26 0.51 0.09 0.00 -1.71 0.00 0.00 55.69 54.85 1mnl s MET 42 Cb -0.10 -3.51 -0.04 0.00 2.01 0.00 0.00 34.83 33.18 1mnl s MET 42 CO -0.04 -0.05 -0.19 0.21 -0.01 0.00 0.00 175.02 174.93 1mnl s LYS 43 N 1.30 1.37 0.23 2.03 2.36 -0.99 -0.28 119.74 125.75 1mnl s LYS 43 Ca 0.27 -1.48 -0.22 0.00 -2.55 0.00 0.00 55.97 51.99 1mnl s LYS 43 Cb -0.16 -1.46 0.06 0.00 -1.05 0.00 0.00 37.83 35.22 1mnl s LYS 43 CO 0.11 0.30 0.90 -1.59 1.55 0.00 0.00 175.35 176.62 1mnl s LYS 44 N -2.90 1.52 0.11 4.03 -2.85 -1.04 0.17 119.74 118.79 1mnl s LYS 44 Ca 0.19 -0.90 -0.22 0.00 -1.00 0.00 0.00 55.97 54.03 1mnl s LYS 44 Cb -0.06 0.48 0.06 0.00 -2.06 0.00 0.00 37.83 36.25 1mnl s LYS 44 CO 0.08 -0.70 0.55 0.99 0.10 0.00 0.00 175.35 176.36 1mnl s THR 45 N -2.99 0.02 -0.44 3.79 2.01 0.71 -2.42 115.64 116.32 1mnl s THR 45 Ca 0.15 -0.17 0.05 0.00 0.31 0.00 0.00 61.69 62.02 1mnl s THR 45 Cb -0.03 -1.03 0.42 0.00 0.01 0.00 0.00 72.50 71.87 1mnl s THR 45 CO 0.05 -0.10 1.18 2.30 -0.69 0.00 0.00 174.62 177.37 1mnl n ILE 46 N -0.07 2.47 -4.36 1.82 -5.35 0.54 0.19 119.36 114.60 1mnl n ILE 46 Ca -0.17 -4.79 -0.25 0.00 -0.27 0.00 0.00 62.75 57.27 1mnl n ILE 46 Cb 0.63 -1.25 -0.09 0.00 -1.74 0.00 0.00 39.64 37.19 1mnl n ILE 46 CO 0.00 0.00 0.00 -0.72 -1.76 0.00 0.00 176.55 174.07 1mnl s TYR 47 N -3.58 2.53 0.00 4.28 1.13 -1.18 -3.16 117.35 117.37 1mnl s TYR 47 Ca 0.49 -0.42 0.00 0.00 -1.41 0.00 0.00 57.07 55.73 1mnl s TYR 47 Cb 0.40 -1.42 0.00 0.00 -1.10 0.00 0.00 41.96 39.85 1mnl s TYR 47 CO -0.17 0.52 0.00 -1.91 -2.51 0.00 0.00 175.55 171.48 1mnl n GLU 48 N -0.91 0.00 0.00 -3.49 4.07 -1.23 0.24 120.64 119.33 1mnl n GLU 48 Ca -0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 1mnl n GLU 48 Cb 0.62 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.00 1mnl n GLU 48 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1mnl n ASN 49 N 0.00 0.00 0.00 4.31 5.03 -1.07 -4.27 115.26 119.26 1mnl n ASN 49 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1mnl n ASN 49 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1mnl n ASN 49 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1mnl n GLU 50 N 0.00 0.85 0.00 3.52 4.71 -1.26 -4.83 120.64 123.63 1mnl n GLU 50 Ca 0.00 -0.18 0.00 0.00 -0.01 0.00 0.00 57.16 56.97 1mnl n GLU 50 Cb 0.00 -0.61 0.00 0.00 -1.01 0.00 0.00 31.44 29.82 1mnl n GLU 50 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 1mnl n ARG 51 N -0.17 2.02 -0.79 3.49 3.00 -1.26 -5.14 116.66 117.81 1mnl n ARG 51 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1mnl n ARG 51 Cb 0.08 -0.78 0.00 0.00 0.00 0.00 0.00 32.46 31.76 1mnl n ARG 51 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1mnl n GLU 52 N -1.40 0.00 -3.31 -0.14 0.28 -1.26 -5.10 120.64 109.70 1mnl n GLU 52 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.93 1mnl n GLU 52 Cb 0.28 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.08 1mnl n GLU 52 CO 0.00 0.00 0.00 -1.50 -0.16 0.00 0.00 177.13 175.47 1mnl s ILE 53 N -2.49 -0.66 0.00 3.84 2.07 -1.26 -2.61 121.20 120.09 1mnl s ILE 53 Ca 0.00 -0.12 0.00 0.00 -1.41 0.00 0.00 60.65 59.12 1mnl s ILE 53 Cb 0.00 -0.89 0.00 0.00 0.13 0.00 0.00 42.46 41.70 1mnl s ILE 53 CO 0.00 -0.15 0.00 0.29 -1.91 0.00 0.00 174.94 173.17 1mnl n LYS 54 N 5.37 0.00 -3.76 3.50 5.02 -1.26 0.36 118.16 127.39 1mnl n LYS 54 Ca -0.02 0.15 -0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1mnl n LYS 54 Cb 0.50 -0.61 0.00 0.00 -0.02 0.00 0.00 35.03 34.90 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 -1.41 -0.23 0.50 0.72 0.00 -1.19 0.35 107.32 106.07 1mnl s GLY 55 Ca 0.00 0.26 0.02 0.00 0.00 0.00 0.00 44.72 45.00 1mnl s GLY 55 CO 0.00 1.43 0.17 -1.72 0.00 0.00 0.00 173.10 172.97 1mnl n TYR 56 N -0.59 0.38 0.00 1.90 4.02 0.52 -0.34 117.16 123.05 1mnl n TYR 56 Ca -0.05 -2.32 0.00 0.00 -0.01 0.00 0.00 57.90 55.52 1mnl n TYR 56 Cb 0.61 -0.37 0.00 0.00 -0.02 0.00 0.00 39.34 39.56 1mnl n TYR 56 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 1mnl n GLU 57 N -1.43 0.00 -4.01 -0.72 0.28 -1.01 -1.97 120.64 111.77 1mnl n GLU 57 Ca -0.12 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.77 1mnl n GLU 57 Cb 0.61 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.43 1mnl n GLU 57 CO 0.00 0.00 0.00 1.52 -0.16 0.00 0.00 177.13 178.49 1mnl s TYR 58 N -0.78 0.50 -0.09 -1.84 1.13 -0.32 -2.48 117.35 113.46 1mnl s TYR 58 Ca 0.00 -0.85 0.01 0.00 -1.41 0.00 0.00 57.07 54.82 1mnl s TYR 58 Cb 0.00 0.14 0.02 0.00 -1.10 0.00 0.00 41.96 41.02 1mnl s TYR 58 CO 0.00 -1.03 -0.10 -0.65 -2.51 0.00 0.00 175.55 171.26 1mnl s GLN 59 N -3.79 1.60 -0.70 -3.49 -0.21 0.62 -2.89 119.66 110.79 1mnl s GLN 59 Ca 0.24 -0.33 0.05 0.00 0.02 0.00 0.00 55.36 55.34 1mnl s GLN 59 Cb -0.00 -1.49 0.24 0.00 1.00 0.00 0.00 33.01 32.76 1mnl s GLN 59 CO 0.11 -0.13 0.79 -0.11 -2.12 0.00 0.00 175.29 173.83 1mnl n LEU 60 N 4.40 3.96 -4.59 2.90 7.94 -1.02 -0.77 117.00 129.83 1mnl n LEU 60 Ca -0.18 -5.38 -0.42 0.00 -1.11 0.00 0.00 56.01 48.92 1mnl n LEU 60 Cb 0.51 -0.76 -0.03 0.00 0.53 0.00 0.00 43.42 43.67 1mnl n LEU 60 CO 0.21 1.96 1.51 -0.47 -1.11 0.00 0.00 177.39 179.49 1mnl s TYR 61 N -2.34 1.85 0.00 1.96 5.04 -0.97 -1.71 117.35 121.19 1mnl s TYR 61 Ca 0.37 0.68 0.00 0.00 -2.44 0.00 0.00 57.07 55.68 1mnl s TYR 61 Cb 0.11 -4.14 0.00 0.00 0.35 0.00 0.00 41.96 38.27 1mnl s TYR 61 CO -0.02 -2.62 0.00 1.33 -1.34 0.00 0.00 175.55 172.89 1mnl n VAL 62 N 7.31 0.00 -3.85 3.14 0.24 0.83 -3.14 118.33 122.86 1mnl n VAL 62 Ca 0.21 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.39 1mnl n VAL 62 Cb 0.48 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.72 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 -3.35 -0.05 0.00 6.34 5.04 -0.55 -1.97 117.35 122.80 1mnl s TYR 63 Ca 0.00 0.14 0.00 0.00 -2.44 0.00 0.00 57.07 54.77 1mnl s TYR 63 Cb 0.00 -0.00 0.00 0.00 0.35 0.00 0.00 41.96 42.31 1mnl s TYR 63 CO 0.00 -0.03 0.00 0.00 -1.34 0.00 0.00 175.55 174.18 1mnl n ALA 64 N 3.16 0.00 -0.06 3.97 0.00 -1.14 -1.29 120.51 125.14 1mnl n ALA 64 Ca -0.14 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.24 1mnl n ALA 64 Cb 0.59 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.94 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 2.02 -0.14 0.00 2.88 -1.26 -2.97 113.62 114.15 1mnl n SER 65 Ca 0.00 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1mnl n SER 65 Cb 0.00 0.74 0.00 0.00 -0.75 0.00 0.00 64.21 64.20 1mnl n SER 65 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1mnl n ASP 66 N -2.48 0.00 -4.11 -3.46 8.00 -1.26 -4.99 116.55 108.24 1mnl n ASP 66 Ca -0.20 -1.24 -0.37 0.00 0.71 0.00 0.00 54.79 53.69 1mnl n ASP 66 Cb 0.89 -0.05 -0.08 0.00 -0.02 0.00 0.00 41.12 41.86 1mnl n ASP 66 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1mnl s LYS 67 N 0.00 2.83 -1.22 -1.24 2.36 -1.26 -4.96 119.74 116.24 1mnl s LYS 67 Ca 0.00 -2.73 -0.05 0.00 -2.55 0.00 0.00 55.97 50.64 1mnl s LYS 67 Cb 0.00 -3.84 0.20 0.00 -1.05 0.00 0.00 37.83 33.14 1mnl s LYS 67 CO 0.00 -1.21 2.05 1.28 1.55 0.00 0.00 175.35 179.02 1mnl n LEU 68 N 3.20 7.43 0.00 5.43 4.77 -1.26 -2.87 117.00 133.69 1mnl n LEU 68 Ca 0.12 -5.00 0.00 0.00 -0.03 0.00 0.00 56.01 51.10 1mnl n LEU 68 Cb 0.38 -1.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 1mnl n LEU 68 CO 0.34 1.88 0.00 2.22 -1.33 0.00 0.00 177.39 180.50 1mnl n PHE 69 N 1.67 0.00 -4.60 -1.77 1.16 -0.83 -2.89 117.46 110.20 1mnl n PHE 69 Ca 0.50 0.00 -0.26 0.00 -1.87 0.00 0.00 57.45 55.82 1mnl n PHE 69 Cb 0.28 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.01 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 1.40 -0.38 3.97 3.52 -0.62 0.29 118.95 127.13 1mnl s ARG 70 Ca 0.00 -1.03 -0.06 0.00 -0.13 0.00 0.00 55.73 54.50 1mnl s ARG 70 Cb 0.00 -1.58 0.07 0.00 -1.56 0.00 0.00 34.95 31.88 1mnl s ARG 70 CO 0.00 0.39 0.17 0.00 -0.81 0.00 0.00 175.30 175.05 1mnl s ALA 71 N -0.88 3.13 0.53 6.12 0.00 -0.69 -2.06 121.76 127.91 1mnl s ALA 71 Ca 0.08 -2.02 -0.07 0.00 0.00 0.00 0.00 51.96 49.95 1mnl s ALA 71 Cb -0.09 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.58 1mnl s ALA 71 CO 0.03 -1.52 0.87 0.34 0.00 0.00 0.00 175.76 175.48 1mnl s ASP 72 N 1.72 6.26 -0.30 0.00 -1.08 -0.93 -2.44 116.67 119.90 1mnl s ASP 72 Ca 0.01 1.10 -0.10 0.00 -0.52 0.00 0.00 52.55 53.05 1mnl s ASP 72 Cb -0.21 -2.33 0.13 0.00 -1.46 0.00 0.00 42.92 39.05 1mnl s ASP 72 CO 0.01 -0.67 0.65 -0.51 0.52 0.00 0.00 175.17 175.17 1mnl s ILE 73 N -2.88 -0.99 0.15 4.11 -1.16 -1.14 -0.52 121.20 118.75 1mnl s ILE 73 Ca 0.50 0.00 0.06 0.00 -0.51 0.00 0.00 60.65 60.70 1mnl s ILE 73 Cb -0.11 -1.00 -0.04 0.00 0.61 0.00 0.00 42.46 41.93 1mnl s ILE 73 CO 0.48 0.00 0.04 -0.55 -2.81 0.00 0.00 174.94 172.10 1mnl s SER 74 N 2.89 5.06 -0.27 4.50 0.15 0.49 -1.18 113.70 125.35 1mnl s SER 74 Ca -0.05 -0.26 -0.00 0.00 0.70 0.00 0.00 55.95 56.34 1mnl s SER 74 Cb -0.12 -1.19 0.15 0.00 -1.71 0.00 0.00 66.02 63.15 1mnl s SER 74 CO -0.19 0.11 0.41 -1.61 1.20 0.00 0.00 173.24 173.15 1mnl s GLU 75 N -2.81 0.39 1.14 5.44 2.02 -0.83 -2.87 118.70 121.19 1mnl s GLU 75 Ca 0.28 0.35 -0.13 0.00 0.02 0.00 0.00 54.97 55.48 1mnl s GLU 75 Cb -0.10 -0.33 0.27 0.00 0.10 0.00 0.00 34.13 34.06 1mnl s GLU 75 CO 0.20 -0.85 1.04 0.16 0.02 0.00 0.00 175.26 175.83 1mnl s ASP 76 N 2.56 1.23 0.00 -0.19 1.47 0.65 0.20 116.67 122.59 1mnl s ASP 76 Ca 0.11 1.33 0.00 0.00 1.18 0.00 0.00 52.55 55.18 1mnl s ASP 76 Cb -0.14 -2.07 0.00 0.00 -0.34 0.00 0.00 42.92 40.38 1mnl s ASP 76 CO -0.24 -4.02 0.00 0.00 0.68 0.00 0.00 175.17 171.59 1mnl n TYR 77 N -4.78 -0.55 -0.02 2.11 4.19 0.16 -4.65 117.16 113.62 1mnl n TYR 77 Ca 0.04 0.00 -0.02 0.00 3.31 0.00 0.00 57.90 61.23 1mnl n TYR 77 Cb 0.56 0.24 -0.02 0.00 0.49 0.00 0.00 39.34 40.61 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 -1.73 2.03 -0.20 2.98 4.81 0.16 -4.54 118.16 121.67 1mnl n LYS 78 Ca 0.00 0.01 0.04 0.00 -0.87 0.00 0.00 58.31 57.49 1mnl n LYS 78 Cb 0.00 -1.07 0.14 0.00 0.02 0.00 0.00 35.03 34.12 1mnl n LYS 78 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1mnl n THR 79 N -2.32 0.56 -3.35 3.15 -1.04 -1.18 -4.91 114.28 105.19 1mnl n THR 79 Ca -0.05 -0.43 -0.16 0.00 -2.04 0.00 0.00 64.05 61.36 1mnl n THR 79 Cb 0.58 0.06 0.08 0.00 -1.82 0.00 0.00 70.33 69.22 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 0.34 -4.23 0.00 -2.82 3.00 -1.26 -4.99 116.66 106.70 1mnl n ARG 80 Ca 0.10 0.84 0.00 0.00 -0.01 0.00 0.00 57.85 58.79 1mnl n ARG 80 Cb 0.34 -5.79 0.00 0.00 0.00 0.00 0.00 32.46 27.01 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 -1.21 -1.47 0.00 -0.13 0.00 -1.26 -4.81 105.19 96.32 1mnl n GLY 81 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.84 1.61 1.74 -1.26 -4.56 116.66 111.35 1mnl n ARG 82 Ca 0.00 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 1mnl n ARG 82 Cb 0.00 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.45 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 -1.84 0.90 0.11 5.56 1.02 -1.21 0.24 119.74 124.53 1mnl s LYS 83 Ca 0.00 -0.79 -0.24 0.00 0.02 0.00 0.00 55.97 54.96 1mnl s LYS 83 Cb 0.00 -0.01 0.08 0.00 -0.52 0.00 0.00 37.83 37.38 1mnl s LYS 83 CO 0.00 -1.15 1.12 -1.17 -0.92 0.00 0.00 175.35 173.23 1mnl s LEU 84 N 1.10 0.00 0.23 3.17 2.96 -1.14 -4.95 118.68 120.06 1mnl s LEU 84 Ca 0.26 -0.50 -0.16 0.00 -0.22 0.00 0.00 54.13 53.51 1mnl s LEU 84 Cb 0.01 1.82 0.01 0.00 0.50 0.00 0.00 46.19 48.53 1mnl s LEU 84 CO -0.06 -0.75 0.53 -1.48 -1.32 0.00 0.00 176.35 173.27 1mnl s LEU 85 N -3.52 0.15 0.00 -0.68 2.34 -1.25 -0.38 118.68 115.34 1mnl s LEU 85 Ca 0.24 -0.71 0.06 0.00 0.06 0.00 0.00 54.13 53.78 1mnl s LEU 85 Cb -0.02 2.06 -0.02 0.00 -0.56 0.00 0.00 46.19 47.65 1mnl s LEU 85 CO 0.03 -1.14 0.22 0.54 -1.06 0.00 0.00 176.35 174.94 1mnl n ARG 86 N -0.38 0.34 -2.99 1.48 1.74 0.32 -4.84 116.66 112.34 1mnl n ARG 86 Ca -0.05 -2.64 -0.07 0.00 -0.77 0.00 0.00 57.85 54.31 1mnl n ARG 86 Cb 0.62 2.13 -0.02 0.00 -1.02 0.00 0.00 32.46 34.17 1mnl n ARG 86 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1mnl s PHE 87 N -3.05 -1.15 0.00 -1.55 0.08 -1.25 -2.18 117.98 108.87 1mnl s PHE 87 Ca 0.31 -0.67 0.00 0.00 0.12 0.00 0.00 56.93 56.69 1mnl s PHE 87 Cb 0.02 0.09 0.00 0.00 -0.57 0.00 0.00 43.02 42.55 1mnl s PHE 87 CO 0.22 -1.17 0.00 0.27 -0.10 0.00 0.00 175.22 174.44 1mnl n ASN 88 N 3.33 0.00 -1.15 1.36 0.23 -0.87 -4.92 115.26 113.24 1mnl n ASN 88 Ca 0.18 -0.47 0.00 0.00 -0.53 0.00 0.00 54.58 53.75 1mnl n ASN 88 Cb 0.54 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.24 1mnl n ASN 88 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1mnl n GLY 89 N 0.00 0.62 3.73 4.83 0.00 -1.26 -1.59 105.19 111.52 1mnl n GLY 89 Ca 0.00 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.52 2.59 0.00 1.61 0.04 -1.26 -4.29 135.00 130.17 1mnl s PRO 90 Ca 0.00 2.09 0.06 0.00 0.04 0.00 0.00 61.00 63.19 1mnl s PRO 90 Cb 0.00 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 32.71 1mnl s PRO 90 CO 0.00 -1.58 0.69 1.55 0.04 0.00 0.00 177.00 177.70