#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 0.37 0.35 1.61 -1.05 -0.22 -4.87 118.70 114.88 1mnl s GLU 2 Ca 0.00 -0.21 0.00 0.00 -0.15 0.00 0.00 54.97 54.61 1mnl s GLU 2 Cb 0.00 0.12 0.00 0.00 -0.44 0.00 0.00 34.13 33.81 1mnl s GLU 2 CO 0.00 -0.17 0.02 -2.67 0.95 0.00 0.00 175.26 173.39 1mnl n TRP 3 N -0.56 0.69 0.00 4.83 4.27 -1.26 -1.71 117.44 123.69 1mnl n TRP 3 Ca -0.07 -1.69 0.00 0.00 -3.89 0.00 0.00 57.50 51.85 1mnl n TRP 3 Cb 0.62 -0.23 0.00 0.00 -1.36 0.00 0.00 31.31 30.34 1mnl n TRP 3 CO 0.00 0.00 0.00 -1.91 -2.29 0.00 0.00 177.69 173.49 1mnl n GLU 4 N -0.89 0.00 -2.07 -2.67 2.13 0.50 -4.83 120.64 112.82 1mnl n GLU 4 Ca -0.13 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.44 1mnl n GLU 4 Cb 0.43 0.00 0.15 0.00 0.27 0.00 0.00 31.44 32.30 1mnl n GLU 4 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1mnl n ILE 5 N 0.00 0.00 -3.13 6.31 -6.64 -1.26 -0.00 119.36 114.63 1mnl n ILE 5 Ca 0.00 -1.16 0.00 0.00 -1.77 0.00 0.00 62.75 59.82 1mnl n ILE 5 Cb 0.00 -1.26 0.00 0.00 -1.44 0.00 0.00 39.64 36.94 1mnl n ILE 5 CO 0.00 0.00 0.00 2.30 -1.77 0.00 0.00 176.55 177.08 1mnl n ILE 6 N -3.27 0.00 -2.71 7.28 -0.00 -1.13 -4.79 119.36 114.74 1mnl n ILE 6 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.90 1mnl n ILE 6 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.18 1mnl n ILE 6 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 1mnl n ASP 7 N -0.33 0.91 -2.25 7.28 8.00 -1.26 -4.94 116.55 123.96 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 0.12 0.00 -0.02 0.00 0.00 41.12 41.22 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 3.42 0.07 0.53 3.06 -1.26 -4.40 119.36 120.78 1mnl n ILE 8 Ca 0.00 -2.61 0.00 0.00 -2.50 0.00 0.00 62.75 57.64 1mnl n ILE 8 Cb 0.00 -0.89 0.00 0.00 0.54 0.00 0.00 39.64 39.29 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 -1.00 -0.12 0.00 4.50 0.00 -1.26 -4.81 105.19 102.50 1mnl n GLY 9 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 -3.32 0.00 -0.52 1.61 -0.04 -1.26 -3.01 135.00 128.46 1mnl n PRO 10 Ca 0.00 0.12 0.45 0.00 -0.04 0.00 0.00 63.50 64.02 1mnl n PRO 10 Cb 0.07 -0.57 0.78 0.00 -0.04 0.00 0.00 33.50 33.74 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 0.00 0.81 0.54 -1.00 -1.95 0.53 116.94 115.87 1mnl h PHE 11 Ca 0.00 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.74 1mnl h PHE 11 Cb 0.00 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.57 1mnl h PHE 11 CO 0.00 0.00 -0.39 1.79 -1.61 0.00 0.00 178.31 178.10 1mnl h THR 12 N 0.00 0.12 0.00 -1.55 1.35 -1.77 0.68 112.91 111.74 1mnl h THR 12 Ca 0.76 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 66.49 1mnl h THR 12 Cb 3.09 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 69.64 1mnl h THR 12 CO -0.01 0.01 0.00 -0.61 -0.25 0.00 0.00 175.52 174.66 1mnl h GLN 13 N -1.20 0.00 0.00 4.72 4.15 0.02 -2.89 115.11 119.91 1mnl h GLN 13 Ca -0.11 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.30 1mnl h GLN 13 Cb 0.85 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.54 1mnl h GLN 13 CO 0.18 0.00 -0.18 -0.97 -1.93 0.00 0.00 178.83 175.93 1mnl h ASN 14 N 0.00 0.00 -1.63 -0.69 -1.24 0.35 -3.13 115.58 109.24 1mnl h ASN 14 Ca 0.00 -0.07 0.48 0.00 0.71 0.00 0.00 56.30 57.42 1mnl h ASN 14 Cb 0.10 0.00 -0.08 0.00 0.73 0.00 0.00 38.32 39.06 1mnl h ASN 14 CO 0.00 0.63 1.15 0.17 -1.29 0.00 0.00 177.43 178.09 1mnl h LEU 15 N -1.00 0.07 0.24 0.34 8.10 0.53 0.36 115.31 123.94 1mnl h LEU 15 Ca -0.01 0.03 -0.01 0.00 0.11 0.00 0.00 57.88 58.00 1mnl h LEU 15 Cb 0.24 0.03 0.00 0.00 -0.44 0.00 0.00 40.66 40.49 1mnl h LEU 15 CO -0.01 -0.04 -0.11 1.23 -4.11 0.00 0.00 178.44 175.40 1mnl h GLY 16 N 0.03 -0.33 0.15 0.17 0.00 -1.63 -2.82 103.07 98.63 1mnl h GLY 16 Ca 0.82 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 48.27 1mnl h GLY 16 CO -0.11 -0.12 -0.07 0.50 0.00 0.00 0.00 176.54 176.73 1mnl h LYS 17 N -0.97 -0.19 -0.95 4.80 6.56 -0.54 -3.02 116.57 122.26 1mnl h LYS 17 Ca -0.03 0.01 0.21 0.00 -1.06 0.00 0.00 60.65 59.78 1mnl h LYS 17 Cb 0.46 0.04 -0.18 0.00 -0.57 0.00 0.00 32.23 31.99 1mnl h LYS 17 CO 0.05 -0.13 -0.18 0.34 -2.06 0.00 0.00 179.45 177.47 1mnl n PHE 18 N -2.92 0.40 0.00 -1.35 -0.00 0.91 -1.63 117.46 112.87 1mnl n PHE 18 Ca -0.03 1.16 0.00 0.00 -0.00 0.00 0.00 57.45 58.58 1mnl n PHE 18 Cb 0.08 -1.09 0.00 0.00 -0.00 0.00 0.00 39.48 38.47 1mnl n PHE 18 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1mnl n ALA 19 N -3.55 -0.08 -0.34 3.13 0.00 -1.06 0.92 120.51 119.52 1mnl n ALA 19 Ca 0.17 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.93 1mnl n ALA 19 Cb 0.53 0.10 0.50 0.00 0.00 0.00 0.00 19.45 20.58 1mnl n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1mnl n VAL 20 N -1.07 0.00 0.00 0.00 0.31 -0.86 0.25 118.33 116.97 1mnl n VAL 20 Ca 0.00 1.20 0.00 0.00 -0.01 0.00 0.00 64.34 65.53 1mnl n VAL 20 Cb 0.00 -2.09 0.00 0.00 -0.91 0.00 0.00 33.84 30.84 1mnl n VAL 20 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1mnl n ASP 21 N -3.26 0.00 0.04 4.52 9.92 -0.58 -2.69 116.55 124.50 1mnl n ASP 21 Ca 0.27 0.17 0.07 0.00 -0.53 0.00 0.00 54.79 54.77 1mnl n ASP 21 Cb 1.52 -0.32 0.50 0.00 -0.64 0.00 0.00 41.12 42.18 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 0.37 0.55 -1.24 5.08 0.11 1.78 114.58 121.23 1mnl h GLU 22 Ca 0.00 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1mnl h GLU 22 Cb 0.00 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.17 1mnl h GLU 22 CO 0.00 0.25 -0.27 1.49 -1.00 0.00 0.00 179.01 179.48 1mnl h GLU 23 N 0.38 -0.72 -0.25 2.33 4.81 0.33 1.87 114.58 123.33 1mnl h GLU 23 Ca 0.14 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1mnl h GLU 23 Cb 0.10 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1mnl h GLU 23 CO -0.03 -0.42 0.11 -0.91 -0.73 0.00 0.00 179.01 177.04 1mnl h ASN 24 N -0.93 0.32 -0.91 1.04 4.21 -1.10 0.31 115.58 118.53 1mnl h ASN 24 Ca -0.08 -0.13 0.09 0.00 1.21 0.00 0.00 56.30 57.39 1mnl h ASN 24 Cb 0.63 -0.08 -0.07 0.00 -1.12 0.00 0.00 38.32 37.68 1mnl h ASN 24 CO 0.12 0.37 0.56 0.50 -1.29 0.00 0.00 177.43 177.69 1mnl h LYS 25 N 0.26 0.93 0.00 0.81 3.64 0.29 0.19 116.57 122.69 1mnl h LYS 25 Ca 0.08 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1mnl h LYS 25 Cb 0.13 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1mnl h LYS 25 CO -0.01 0.62 0.00 1.51 -2.27 0.00 0.00 179.45 179.30 1mnl n ILE 26 N -4.64 0.74 -0.05 2.00 0.13 0.63 -4.85 119.36 113.33 1mnl n ILE 26 Ca 0.15 0.17 0.00 0.00 -1.10 0.00 0.00 62.75 61.97 1mnl n ILE 26 Cb 0.25 -0.90 0.00 0.00 -0.84 0.00 0.00 39.64 38.16 1mnl n ILE 26 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1mnl n GLY 27 N 0.38 0.55 2.94 4.50 0.00 0.66 -5.05 105.19 109.18 1mnl n GLY 27 Ca 0.04 -0.12 0.02 0.00 0.00 0.00 0.00 46.02 45.96 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 0.49 0.40 0.26 1.61 2.00 0.10 -4.96 119.66 119.56 1mnl s GLN 28 Ca 0.00 -0.11 0.03 0.00 -2.00 0.00 0.00 55.36 53.28 1mnl s GLN 28 Cb 0.00 0.05 0.35 0.00 0.80 0.00 0.00 33.01 34.21 1mnl s GLN 28 CO 0.00 -0.58 1.65 -0.92 -0.50 0.00 0.00 175.29 174.94 1mnl h TYR 29 N 6.05 0.43 -4.00 1.67 3.20 -1.85 -2.77 116.97 119.70 1mnl h TYR 29 Ca -0.01 -0.12 -0.03 0.00 3.14 0.00 0.00 58.73 61.70 1mnl h TYR 29 Cb 1.21 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.39 1mnl h TYR 29 CO -0.02 0.73 -0.04 0.41 -1.64 0.00 0.00 178.16 177.60 1mnl n GLY 30 N -0.09 -0.31 7.00 1.82 0.00 -1.26 -4.40 105.19 107.95 1mnl n GLY 30 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.13 0.00 -2.52 1.61 1.74 -1.26 -3.79 116.66 110.32 1mnl n ARG 31 Ca -0.02 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.63 1mnl n ARG 31 Cb 0.38 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.82 1mnl n ARG 31 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 1mnl n LEU 32 N 0.00 5.88 -4.47 0.55 -0.00 -1.26 -4.79 117.00 112.92 1mnl n LEU 32 Ca 0.00 -4.39 -0.19 0.00 -0.00 0.00 0.00 56.01 51.42 1mnl n LEU 32 Cb 0.00 -1.60 -0.20 0.00 -0.00 0.00 0.00 43.42 41.62 1mnl n LEU 32 CO 0.00 0.90 1.92 0.35 -0.00 0.00 0.00 177.39 180.57 1mnl n THR 33 N 4.53 0.00 0.00 1.47 -2.24 -1.25 -4.49 114.28 112.31 1mnl n THR 33 Ca 0.42 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1mnl n THR 33 Cb 0.41 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 1mnl n THR 33 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1mnl n PHE 34 N 6.67 0.00 0.17 4.78 7.35 -1.26 -3.96 117.46 131.21 1mnl n PHE 34 Ca 0.61 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.30 1mnl n PHE 34 Cb 0.20 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.03 1mnl n PHE 34 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1mnl n ASN 35 N 0.00 -3.06 0.00 -2.13 5.15 -1.26 -4.05 115.26 109.91 1mnl n ASN 35 Ca 0.00 0.78 0.00 0.00 -0.60 0.00 0.00 54.58 54.76 1mnl n ASN 35 Cb 0.00 2.97 0.00 0.00 -0.53 0.00 0.00 39.78 42.22 1mnl n ASN 35 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1mnl n LYS 36 N -3.30 0.00 -3.87 1.20 3.00 -1.16 -4.89 118.16 109.15 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 -0.18 3.15 1.01 0.08 -4.93 120.40 119.54 1mnl s VAL 37 Ca 0.00 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 60.92 1mnl s VAL 37 Cb 0.00 -2.25 0.03 0.00 0.00 0.00 0.00 36.38 34.16 1mnl s VAL 37 CO 0.00 0.00 -0.13 -0.51 0.00 0.00 0.00 175.10 174.46 1mnl s ILE 38 N -3.53 1.67 0.09 2.22 -1.16 -1.26 -0.98 121.20 118.25 1mnl s ILE 38 Ca 0.14 -0.85 0.00 0.00 -0.51 0.00 0.00 60.65 59.43 1mnl s ILE 38 Cb -0.05 -1.64 0.00 0.00 0.61 0.00 0.00 42.46 41.38 1mnl s ILE 38 CO 0.09 0.33 0.00 0.54 -2.81 0.00 0.00 174.94 173.09 1mnl n ARG 39 N 4.71 0.00 -1.21 3.50 1.74 -1.26 -4.69 116.66 119.45 1mnl n ARG 39 Ca -0.16 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.72 1mnl n ARG 39 Cb 0.48 -0.39 -0.08 0.00 -1.02 0.00 0.00 32.46 31.45 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 -3.27 2.12 -3.07 5.56 -0.04 -1.13 -4.90 135.00 130.27 1mnl n PRO 40 Ca 0.00 -1.69 -0.41 0.00 -0.04 0.00 0.00 63.50 61.35 1mnl n PRO 40 Cb 0.15 -1.97 -0.06 0.00 -0.04 0.00 0.00 33.50 31.58 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 2.68 2.06 -0.25 0.00 -1.94 0.10 -2.84 119.30 119.11 1mnl s MET 42 Ca 0.27 -2.29 -0.18 0.00 -1.71 0.00 0.00 55.69 51.78 1mnl s MET 42 Cb -0.15 -0.82 0.07 0.00 2.01 0.00 0.00 34.83 35.94 1mnl s MET 42 CO 0.11 -0.50 0.64 0.21 -0.01 0.00 0.00 175.02 175.47 1mnl s LYS 43 N -3.72 0.70 -0.05 2.03 2.20 0.99 -2.43 119.74 119.46 1mnl s LYS 43 Ca 0.16 1.02 -0.02 0.00 -0.36 0.00 0.00 55.97 56.78 1mnl s LYS 43 Cb 0.01 0.23 0.04 0.00 -1.51 0.00 0.00 37.83 36.60 1mnl s LYS 43 CO 0.11 -0.12 0.09 0.21 -0.36 0.00 0.00 175.35 175.28 1mnl s LYS 44 N 0.99 -0.02 0.07 4.03 2.20 -0.79 0.19 119.74 126.42 1mnl s LYS 44 Ca -0.05 0.40 0.01 0.00 -0.36 0.00 0.00 55.97 55.97 1mnl s LYS 44 Cb -0.05 -0.36 -0.04 0.00 -1.51 0.00 0.00 37.83 35.87 1mnl s LYS 44 CO -0.09 -0.28 0.18 0.99 -0.36 0.00 0.00 175.35 175.79 1mnl s THR 45 N 1.91 5.13 -0.63 3.43 2.01 -0.70 -2.46 115.64 124.33 1mnl s THR 45 Ca 0.01 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.48 1mnl s THR 45 Cb -0.12 -3.51 0.41 0.00 0.01 0.00 0.00 72.50 69.29 1mnl s THR 45 CO -0.04 0.11 1.71 0.00 -0.69 0.00 0.00 174.62 175.72 1mnl n ILE 46 N 0.26 3.19 -3.85 1.82 0.13 0.14 -1.06 119.36 120.00 1mnl n ILE 46 Ca -0.06 -4.05 -0.23 0.00 -1.10 0.00 0.00 62.75 57.31 1mnl n ILE 46 Cb 0.51 -1.21 -0.05 0.00 -0.84 0.00 0.00 39.64 38.05 1mnl n ILE 46 CO 0.00 0.00 0.00 -0.72 2.80 0.00 0.00 176.55 178.63 1mnl s TYR 47 N -3.83 2.66 0.00 9.51 1.13 -1.15 -3.07 117.35 122.61 1mnl s TYR 47 Ca 0.54 -0.53 0.00 0.00 -1.41 0.00 0.00 57.07 55.67 1mnl s TYR 47 Cb 0.45 -2.05 0.00 0.00 -1.10 0.00 0.00 41.96 39.25 1mnl s TYR 47 CO -0.19 0.04 0.00 -1.91 -2.51 0.00 0.00 175.55 170.98 1mnl n GLU 48 N -1.39 0.00 0.01 -3.49 4.07 -0.87 -4.50 120.64 114.47 1mnl n GLU 48 Ca 0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 1mnl n GLU 48 Cb 0.63 -0.02 0.00 0.00 -0.06 0.00 0.00 31.44 31.99 1mnl n GLU 48 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1mnl n ASN 49 N -0.06 -0.21 -0.20 4.31 4.05 -1.26 -4.97 115.26 116.91 1mnl n ASN 49 Ca 0.00 0.14 0.00 0.00 0.45 0.00 0.00 54.58 55.17 1mnl n ASN 49 Cb 0.00 0.36 0.00 0.00 1.23 0.00 0.00 39.78 41.37 1mnl n ASN 49 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 177.26 172.37 1mnl n GLU 50 N -2.33 0.00 0.00 1.20 0.28 -1.26 -4.89 120.64 113.64 1mnl n GLU 50 Ca 0.00 -0.31 0.00 0.00 -0.16 0.00 0.00 57.16 56.69 1mnl n GLU 50 Cb 0.00 -0.22 0.00 0.00 1.43 0.00 0.00 31.44 32.65 1mnl n GLU 50 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1mnl n ARG 51 N 0.00 2.19 -2.71 3.44 0.63 -1.26 -4.98 116.66 113.96 1mnl n ARG 51 Ca 0.00 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.89 1mnl n ARG 51 Cb 0.54 -0.85 0.03 0.00 0.45 0.00 0.00 32.46 32.62 1mnl n ARG 51 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1mnl n GLU 52 N -1.24 0.32 -2.01 -0.14 0.28 -1.26 -5.07 120.64 111.52 1mnl n GLU 52 Ca 0.00 -1.38 -0.26 0.00 -0.16 0.00 0.00 57.16 55.36 1mnl n GLU 52 Cb 0.13 -0.65 -0.06 0.00 1.43 0.00 0.00 31.44 32.29 1mnl n GLU 52 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1mnl s ILE 53 N 0.88 3.44 0.00 3.84 1.09 -1.26 -2.06 121.20 127.14 1mnl s ILE 53 Ca 0.27 -0.51 0.00 0.00 -1.10 0.00 0.00 60.65 59.30 1mnl s ILE 53 Cb 0.08 -4.13 0.00 0.00 -1.06 0.00 0.00 42.46 37.35 1mnl s ILE 53 CO -0.09 -0.88 0.94 0.29 -0.10 0.00 0.00 174.94 175.10 1mnl n LYS 54 N 8.65 0.00 -3.55 2.79 5.02 -1.25 0.25 118.16 130.07 1mnl n LYS 54 Ca 0.42 0.53 -0.10 0.00 -2.02 0.00 0.00 58.31 57.15 1mnl n LYS 54 Cb 0.47 -1.44 -0.02 0.00 -0.02 0.00 0.00 35.03 34.02 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 -0.88 -0.46 -0.26 0.72 0.00 -1.17 0.99 107.32 106.26 1mnl s GLY 55 Ca 0.00 0.40 0.02 0.00 0.00 0.00 0.00 44.72 45.14 1mnl s GLY 55 CO 0.00 0.13 -0.05 -0.47 0.00 0.00 0.00 173.10 172.71 1mnl s TYR 56 N -3.63 2.83 0.32 1.90 5.04 -0.89 0.24 117.35 123.17 1mnl s TYR 56 Ca 0.05 -2.11 0.09 0.00 -2.44 0.00 0.00 57.07 52.66 1mnl s TYR 56 Cb -0.02 -1.87 -0.05 0.00 0.35 0.00 0.00 41.96 40.37 1mnl s TYR 56 CO -0.07 -0.84 0.02 -1.21 -1.34 0.00 0.00 175.55 172.11 1mnl s GLU 57 N 1.24 2.16 0.16 4.97 8.01 -1.03 -1.63 118.70 132.58 1mnl s GLU 57 Ca -0.04 -1.64 -0.13 0.00 0.01 0.00 0.00 54.97 53.17 1mnl s GLU 57 Cb -0.19 -2.02 0.01 0.00 -4.31 0.00 0.00 34.13 27.62 1mnl s GLU 57 CO -0.07 0.19 0.36 1.52 0.01 0.00 0.00 175.26 177.27 1mnl s TYR 58 N -2.46 0.12 -0.11 1.61 1.13 -0.04 -1.88 117.35 115.71 1mnl s TYR 58 Ca 0.34 -0.48 0.00 0.00 -1.41 0.00 0.00 57.07 55.53 1mnl s TYR 58 Cb -0.02 0.12 0.02 0.00 -1.10 0.00 0.00 41.96 40.98 1mnl s TYR 58 CO 0.20 -0.75 -0.10 -0.65 -2.51 0.00 0.00 175.55 171.74 1mnl s GLN 59 N -3.90 1.75 -0.72 -3.49 -0.21 -1.02 -2.66 119.66 109.42 1mnl s GLN 59 Ca 0.11 -0.36 0.04 0.00 0.02 0.00 0.00 55.36 55.17 1mnl s GLN 59 Cb 0.02 -1.69 0.26 0.00 1.00 0.00 0.00 33.01 32.61 1mnl s GLN 59 CO -0.04 -0.20 0.90 -0.11 -2.12 0.00 0.00 175.29 173.71 1mnl n LEU 60 N 4.69 4.30 -4.60 2.90 0.00 -1.05 0.01 117.00 123.26 1mnl n LEU 60 Ca -0.15 -5.42 -0.43 0.00 0.00 0.00 0.00 56.01 50.01 1mnl n LEU 60 Cb 0.50 -0.78 -0.02 0.00 0.00 0.00 0.00 43.42 43.12 1mnl n LEU 60 CO 0.19 2.01 1.42 -0.47 0.00 0.00 0.00 177.39 180.54 1mnl s TYR 61 N -2.60 2.03 0.00 1.96 5.04 -1.00 -1.85 117.35 120.94 1mnl s TYR 61 Ca 0.39 0.64 0.00 0.00 -2.44 0.00 0.00 57.07 55.66 1mnl s TYR 61 Cb 0.14 -4.20 0.00 0.00 0.35 0.00 0.00 41.96 38.24 1mnl s TYR 61 CO 0.01 -2.54 0.00 1.33 -1.34 0.00 0.00 175.55 173.00 1mnl n VAL 62 N 7.27 0.00 -4.20 3.14 0.24 0.65 -2.86 118.33 122.57 1mnl n VAL 62 Ca 0.20 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.33 1mnl n VAL 62 Cb 0.47 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 -5.11 0.58 0.00 6.34 6.14 -0.16 -1.87 117.35 123.27 1mnl s TYR 63 Ca 0.00 -0.12 0.00 0.00 0.64 0.00 0.00 57.07 57.59 1mnl s TYR 63 Cb 0.00 -0.41 0.00 0.00 0.42 0.00 0.00 41.96 41.97 1mnl s TYR 63 CO 0.00 -0.04 0.00 0.00 0.64 0.00 0.00 175.55 176.15 1mnl n ALA 64 N 3.15 0.00 0.09 3.97 0.00 -0.69 -0.74 120.51 126.29 1mnl n ALA 64 Ca -0.16 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.08 1mnl n ALA 64 Cb 0.56 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.87 1mnl n ALA 64 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1mnl h SER 65 N 0.00 0.56 0.00 0.00 0.87 -1.79 -3.06 113.55 110.13 1mnl h SER 65 Ca 0.00 -0.71 0.00 0.00 -1.23 0.00 0.00 61.79 59.85 1mnl h SER 65 Cb 0.00 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.78 1mnl h SER 65 CO 0.00 1.58 0.00 0.47 -0.53 0.00 0.00 176.83 178.35 1mnl n ASP 66 N -3.56 0.16 -4.23 6.23 9.92 -1.26 -4.98 116.55 118.83 1mnl n ASP 66 Ca -0.17 -1.07 -0.42 0.00 -0.53 0.00 0.00 54.79 52.60 1mnl n ASP 66 Cb 1.06 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 41.48 1mnl n ASP 66 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1mnl s LYS 67 N -0.07 2.88 -1.02 -1.24 2.36 -1.26 -4.96 119.74 116.43 1mnl s LYS 67 Ca 0.00 -2.15 -0.02 0.00 -2.55 0.00 0.00 55.97 51.25 1mnl s LYS 67 Cb 0.00 -4.07 0.31 0.00 -1.05 0.00 0.00 37.83 33.03 1mnl s LYS 67 CO 0.00 -1.23 1.62 1.47 1.55 0.00 0.00 175.35 178.76 1mnl n LEU 68 N 4.33 6.77 0.00 5.43 -0.00 -1.26 -1.71 117.00 130.56 1mnl n LEU 68 Ca 0.02 -5.33 0.00 0.00 -0.00 0.00 0.00 56.01 50.70 1mnl n LEU 68 Cb 0.42 -1.18 0.00 0.00 -0.00 0.00 0.00 43.42 42.66 1mnl n LEU 68 CO 0.39 1.91 0.00 2.22 -0.00 0.00 0.00 177.39 181.91 1mnl n PHE 69 N 0.54 0.00 -4.04 1.47 1.16 -0.78 -4.20 117.46 111.60 1mnl n PHE 69 Ca 0.37 0.00 -0.25 0.00 -1.87 0.00 0.00 57.45 55.70 1mnl n PHE 69 Cb 0.30 0.00 -0.17 0.00 -1.61 0.00 0.00 39.48 38.00 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 -0.56 3.97 3.52 0.17 0.24 118.95 127.69 1mnl s ARG 70 Ca 0.00 -0.23 -0.26 0.00 -0.13 0.00 0.00 55.73 55.10 1mnl s ARG 70 Cb 0.00 -1.42 0.03 0.00 -1.56 0.00 0.00 34.95 32.00 1mnl s ARG 70 CO 0.00 -0.20 1.07 0.00 -0.81 0.00 0.00 175.30 175.36 1mnl s ALA 71 N 1.47 3.08 0.65 6.12 0.00 -0.77 -2.60 121.76 129.72 1mnl s ALA 71 Ca -0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 50.93 1mnl s ALA 71 Cb -0.13 -3.88 0.06 0.00 0.00 0.00 0.00 23.12 19.17 1mnl s ALA 71 CO -0.05 -2.50 0.93 0.34 0.00 0.00 0.00 175.76 174.48 1mnl s ASP 72 N 2.86 4.90 -0.30 0.00 2.15 -1.00 -2.53 116.67 122.74 1mnl s ASP 72 Ca 0.37 0.19 -0.15 0.00 0.43 0.00 0.00 52.55 53.40 1mnl s ASP 72 Cb -0.10 -0.89 0.17 0.00 -0.30 0.00 0.00 42.92 41.80 1mnl s ASP 72 CO 0.23 -1.48 0.98 -0.51 -0.17 0.00 0.00 175.17 174.22 1mnl s ILE 73 N -3.07 -0.50 0.21 4.11 -1.16 -1.09 -1.16 121.20 118.54 1mnl s ILE 73 Ca 0.60 0.00 0.08 0.00 -0.51 0.00 0.00 60.65 60.82 1mnl s ILE 73 Cb -0.10 -1.00 -0.04 0.00 0.61 0.00 0.00 42.46 41.93 1mnl s ILE 73 CO 0.42 0.00 0.02 -0.44 -2.81 0.00 0.00 174.94 172.13 1mnl s SER 74 N 2.49 4.79 -0.21 4.50 0.01 0.31 -0.86 113.70 124.73 1mnl s SER 74 Ca -0.02 -0.45 -0.04 0.00 1.31 0.00 0.00 55.95 56.75 1mnl s SER 74 Cb -0.06 -1.01 0.11 0.00 0.21 0.00 0.00 66.02 65.26 1mnl s SER 74 CO -0.17 0.05 0.31 -0.70 0.41 0.00 0.00 173.24 173.14 1mnl s GLU 75 N -3.24 0.26 0.60 12.44 -6.30 0.48 -2.37 118.70 120.56 1mnl s GLU 75 Ca 0.29 0.47 -0.18 0.00 -2.50 0.00 0.00 54.97 53.05 1mnl s GLU 75 Cb -0.08 -0.65 -0.08 0.00 0.00 0.00 0.00 34.13 33.31 1mnl s GLU 75 CO 0.20 -0.58 0.46 -0.40 0.02 0.00 0.00 175.26 174.95 1mnl n ASP 76 N 5.35 -1.33 0.00 -1.70 5.75 -0.94 -2.09 116.55 121.59 1mnl n ASP 76 Ca -0.05 0.70 0.00 0.00 -0.01 0.00 0.00 54.79 55.43 1mnl n ASP 76 Cb 0.50 -1.15 0.00 0.00 -1.03 0.00 0.00 41.12 39.44 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 -1.81 -0.60 -0.06 2.11 4.19 -0.02 -4.64 117.16 116.33 1mnl n TYR 77 Ca 0.11 0.00 -0.08 0.00 3.31 0.00 0.00 57.90 61.24 1mnl n TYR 77 Cb 0.48 0.31 -0.06 0.00 0.49 0.00 0.00 39.34 40.55 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 -1.92 0.69 -0.10 2.98 0.00 0.70 -4.42 118.16 116.09 1mnl n LYS 78 Ca 0.00 0.06 0.05 0.00 0.00 0.00 0.00 58.31 58.43 1mnl n LYS 78 Cb 0.00 -1.26 0.19 0.00 0.00 0.00 0.00 35.03 33.96 1mnl n LYS 78 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1mnl n THR 79 N -2.79 0.26 -3.05 3.15 -1.04 -1.03 -4.89 114.28 104.89 1mnl n THR 79 Ca -0.22 -0.29 -0.13 0.00 -2.04 0.00 0.00 64.05 61.38 1mnl n THR 79 Cb 0.76 0.15 0.06 0.00 -1.82 0.00 0.00 70.33 69.49 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 0.11 -4.86 0.00 -2.82 5.12 -1.26 -5.02 116.66 107.93 1mnl n ARG 80 Ca 0.10 0.61 0.00 0.00 -1.93 0.00 0.00 57.85 56.63 1mnl n ARG 80 Cb 0.21 -4.94 0.00 0.00 -1.16 0.00 0.00 32.46 26.57 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 -1.13 -2.74 3.63 -0.13 0.00 -1.26 -4.81 105.19 98.75 1mnl n GLY 81 Ca -0.19 -0.40 -0.01 0.00 0.00 0.00 0.00 46.02 45.42 1mnl n GLY 81 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1mnl s ARG 82 N 0.00 0.53 -0.28 1.61 1.70 -1.26 -4.18 118.95 117.07 1mnl s ARG 82 Ca 0.00 -0.28 -0.11 0.00 -0.47 0.00 0.00 55.73 54.88 1mnl s ARG 82 Cb 0.00 0.19 -0.05 0.00 -0.57 0.00 0.00 34.95 34.52 1mnl s ARG 82 CO 0.00 -0.24 0.18 0.15 -1.08 0.00 0.00 175.30 174.31 1mnl s LYS 83 N -2.59 3.94 -0.29 3.89 1.02 -1.23 -0.39 119.74 124.09 1mnl s LYS 83 Ca 0.13 -0.33 -0.17 0.00 0.02 0.00 0.00 55.97 55.62 1mnl s LYS 83 Cb 0.03 -3.64 0.16 0.00 -0.52 0.00 0.00 37.83 33.86 1mnl s LYS 83 CO -0.03 -0.17 1.06 -1.17 -0.92 0.00 0.00 175.35 174.12 1mnl s LEU 84 N 1.73 -0.38 0.39 3.17 0.20 -1.00 -4.92 118.68 117.87 1mnl s LEU 84 Ca 0.07 0.61 0.08 0.00 0.69 0.00 0.00 54.13 55.58 1mnl s LEU 84 Cb -0.16 1.57 -0.06 0.00 -0.43 0.00 0.00 46.19 47.10 1mnl s LEU 84 CO 0.10 -0.10 0.06 -1.48 -0.29 0.00 0.00 176.35 174.64 1mnl s LEU 85 N 1.17 2.97 0.00 -0.68 2.34 -1.25 -0.53 118.68 122.69 1mnl s LEU 85 Ca -0.08 -1.17 0.01 0.00 0.06 0.00 0.00 54.13 52.96 1mnl s LEU 85 Cb -0.03 -1.19 -0.01 0.00 -0.56 0.00 0.00 46.19 44.40 1mnl s LEU 85 CO -0.13 -0.41 0.05 0.54 -1.06 0.00 0.00 176.35 175.34 1mnl n ARG 86 N -1.04 0.33 -2.78 1.48 1.74 -0.31 -4.83 116.66 111.26 1mnl n ARG 86 Ca -0.04 -0.72 -0.10 0.00 -0.77 0.00 0.00 57.85 56.23 1mnl n ARG 86 Cb 0.65 0.53 0.06 0.00 -1.02 0.00 0.00 32.46 32.68 1mnl n ARG 86 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1mnl n PHE 87 N -0.16 -2.86 -2.37 -1.55 3.72 -1.24 -2.37 117.46 110.63 1mnl n PHE 87 Ca 0.01 -2.09 0.00 0.00 -0.05 0.00 0.00 57.45 55.32 1mnl n PHE 87 Cb 0.13 1.44 0.00 0.00 -0.94 0.00 0.00 39.48 40.11 1mnl n PHE 87 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1mnl n ASN 88 N 0.98 0.00 -2.32 4.37 4.13 -1.07 -4.74 115.26 116.60 1mnl n ASN 88 Ca 0.09 -0.09 -0.09 0.00 1.68 0.00 0.00 54.58 56.17 1mnl n ASN 88 Cb 0.66 0.00 0.05 0.00 -1.54 0.00 0.00 39.78 38.95 1mnl n ASN 88 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1mnl n GLY 89 N 0.00 -0.01 1.35 7.41 0.00 -1.26 -0.65 105.19 112.03 1mnl n GLY 89 Ca 0.00 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.67 -2.10 0.00 1.61 -0.04 -1.26 -4.09 135.00 126.45 1mnl n PRO 90 Ca -0.15 -0.67 0.08 0.00 -0.04 0.00 0.00 63.50 62.73 1mnl n PRO 90 Cb 0.59 -0.66 0.47 0.00 -0.04 0.00 0.00 33.50 33.85 1mnl n PRO 90 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79