#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 1.83 0.01 1.61 1.03 -0.20 -4.99 118.70 117.99 1mnl s GLU 2 Ca 0.00 -1.65 -0.05 0.00 0.03 0.00 0.00 54.97 53.30 1mnl s GLU 2 Cb 0.00 0.45 -0.01 0.00 -0.80 0.00 0.00 34.13 33.77 1mnl s GLU 2 CO 0.00 -0.76 0.08 1.67 -1.33 0.00 0.00 175.26 174.92 1mnl s TRP 3 N -3.25 0.11 -0.18 4.83 1.48 -1.26 -2.04 118.94 118.63 1mnl s TRP 3 Ca 0.29 -0.25 -0.14 0.00 -1.06 0.00 0.00 56.10 54.93 1mnl s TRP 3 Cb -0.00 -0.09 0.05 0.00 -1.16 0.00 0.00 33.47 32.26 1mnl s TRP 3 CO 0.18 -0.25 0.46 -1.21 -4.06 0.00 0.00 176.95 172.07 1mnl s GLU 4 N -1.36 0.50 0.49 3.25 2.02 0.13 -4.94 118.70 118.81 1mnl s GLU 4 Ca -0.15 0.71 -0.08 0.00 0.02 0.00 0.00 54.97 55.47 1mnl s GLU 4 Cb -0.08 0.18 0.11 0.00 0.10 0.00 0.00 34.13 34.44 1mnl s GLU 4 CO 0.01 -0.09 0.65 0.44 0.02 0.00 0.00 175.26 176.28 1mnl n ILE 5 N 3.30 0.00 -3.51 -1.63 -0.00 -1.26 0.22 119.36 116.49 1mnl n ILE 5 Ca -0.16 -0.47 0.00 0.00 -0.00 0.00 0.00 62.75 62.12 1mnl n ILE 5 Cb 0.56 -1.71 0.00 0.00 -0.00 0.00 0.00 39.64 38.49 1mnl n ILE 5 CO 0.00 0.00 0.00 2.30 -0.00 0.00 0.00 176.55 178.85 1mnl n ILE 6 N -2.97 0.00 -2.64 7.28 -0.00 -1.09 -4.64 119.36 115.30 1mnl n ILE 6 Ca 0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 62.75 62.72 1mnl n ILE 6 Cb 0.29 -0.29 0.03 0.00 -0.00 0.00 0.00 39.64 39.66 1mnl n ILE 6 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1mnl n ASP 7 N -1.26 1.92 -3.15 7.28 2.03 -1.26 -4.95 116.55 117.17 1mnl n ASP 7 Ca 0.00 -2.81 -0.16 0.00 0.52 0.00 0.00 54.79 52.34 1mnl n ASP 7 Cb 0.00 -0.52 -0.03 0.00 -0.72 0.00 0.00 41.12 39.86 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 -0.16 0.00 0.13 5.18 3.06 -1.26 -4.53 119.36 121.78 1mnl n ILE 8 Ca 0.13 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.38 1mnl n ILE 8 Cb 0.80 -0.18 0.00 0.00 0.54 0.00 0.00 39.64 40.80 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 -0.69 -0.28 0.07 4.50 0.00 -1.26 -4.83 105.19 102.71 1mnl n GLY 9 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 1.61 0.13 -1.98 -3.15 132.00 128.61 1mnl h PRO 10 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1mnl h PRO 10 Cb 0.01 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.14 1mnl h PRO 10 CO 0.00 0.38 -0.06 0.74 -0.23 0.00 0.00 178.00 178.83 1mnl h PHE 11 N -1.00 0.00 0.73 1.56 -1.00 -1.94 -0.28 116.94 115.01 1mnl h PHE 11 Ca -0.07 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.68 1mnl h PHE 11 Cb 0.59 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.16 1mnl h PHE 11 CO 0.01 0.06 -0.35 1.79 -1.61 0.00 0.00 178.31 178.21 1mnl h THR 12 N 0.00 0.02 -0.00 -1.55 1.35 -1.88 -0.71 112.91 110.13 1mnl h THR 12 Ca -0.00 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1mnl h THR 12 Cb 0.14 0.03 -0.00 0.00 -1.73 0.00 0.00 68.15 66.58 1mnl h THR 12 CO 0.01 0.00 0.02 -0.61 -0.25 0.00 0.00 175.52 174.69 1mnl h GLN 13 N -1.25 0.00 0.28 4.72 4.15 -1.44 -2.21 115.11 119.36 1mnl h GLN 13 Ca -0.10 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 1mnl h GLN 13 Cb 0.76 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.45 1mnl h GLN 13 CO 0.16 0.00 -0.13 -0.91 -1.93 0.00 0.00 178.83 176.02 1mnl h ASN 14 N 0.00 -0.32 -0.40 -0.69 -0.26 -0.57 -3.05 115.58 110.30 1mnl h ASN 14 Ca 0.00 -0.20 0.04 0.00 -0.56 0.00 0.00 56.30 55.58 1mnl h ASN 14 Cb 0.03 0.08 -0.06 0.00 -1.06 0.00 0.00 38.32 37.32 1mnl h ASN 14 CO -0.00 0.16 -0.33 0.25 -1.06 0.00 0.00 177.43 176.45 1mnl h LEU 15 N -0.94 -1.16 -0.97 1.61 6.46 -0.49 0.84 115.31 120.66 1mnl h LEU 15 Ca -0.04 0.16 0.30 0.00 -0.12 0.00 0.00 57.88 58.19 1mnl h LEU 15 Cb 0.50 0.49 -0.18 0.00 -0.73 0.00 0.00 40.66 40.75 1mnl h LEU 15 CO 0.06 -0.19 0.18 1.23 -0.62 0.00 0.00 178.44 179.11 1mnl h GLY 16 N -0.12 1.51 0.00 3.75 0.00 -1.64 0.50 103.07 107.07 1mnl h GLY 16 Ca 0.07 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1mnl h GLY 16 CO -0.44 -0.56 0.00 0.28 0.00 0.00 0.00 176.54 175.82 1mnl n LYS 17 N -5.39 0.00 -0.60 4.80 4.01 0.13 -2.76 118.16 118.34 1mnl n LYS 17 Ca 0.26 0.01 0.45 0.00 -0.51 0.00 0.00 58.31 58.53 1mnl n LYS 17 Cb 0.87 -0.47 0.70 0.00 -0.51 0.00 0.00 35.03 35.62 1mnl n LYS 17 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 1mnl n PHE 18 N -0.62 0.00 0.00 2.13 3.01 0.25 -1.57 117.46 120.66 1mnl n PHE 18 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1mnl n PHE 18 Cb 0.00 -0.42 0.00 0.00 -0.01 0.00 0.00 39.48 39.05 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 -2.77 -0.03 -0.52 4.37 0.00 0.17 -0.80 120.51 120.93 1mnl n ALA 19 Ca 0.38 0.00 0.41 0.00 0.00 0.00 0.00 53.44 54.23 1mnl n ALA 19 Cb 1.72 0.00 0.63 0.00 0.00 0.00 0.00 19.45 21.80 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 -1.30 0.00 0.00 0.00 0.31 -0.61 0.22 118.33 116.95 1mnl n VAL 20 Ca 0.00 1.21 0.00 0.00 -0.01 0.00 0.00 64.34 65.54 1mnl n VAL 20 Cb 0.00 -2.05 0.00 0.00 -0.91 0.00 0.00 33.84 30.88 1mnl n VAL 20 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1mnl n ASP 21 N -3.47 0.00 -0.01 4.52 2.03 -0.70 -2.55 116.55 116.36 1mnl n ASP 21 Ca 0.34 0.01 0.23 0.00 0.52 0.00 0.00 54.79 55.90 1mnl n ASP 21 Cb 1.62 -0.04 0.67 0.00 -0.72 0.00 0.00 41.12 42.66 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 0.09 -0.67 5.08 -0.65 1.23 114.58 119.65 1mnl h GLU 22 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1mnl h GLU 22 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1mnl h GLU 22 CO 0.00 0.00 -0.04 1.49 -1.00 0.00 0.00 179.01 179.46 1mnl h GLU 23 N 0.00 -0.11 -0.60 2.33 4.81 0.26 0.47 114.58 121.74 1mnl h GLU 23 Ca 0.29 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.65 1mnl h GLU 23 Cb 1.63 0.03 -0.10 0.00 0.63 0.00 0.00 28.75 30.93 1mnl h GLU 23 CO -0.00 -0.07 -0.02 -0.91 -0.73 0.00 0.00 179.01 177.28 1mnl h ASN 24 N -0.71 -0.30 -0.13 1.04 -0.26 -0.93 0.47 115.58 114.76 1mnl h ASN 24 Ca -0.01 0.15 0.04 0.00 -0.56 0.00 0.00 56.30 55.92 1mnl h ASN 24 Cb 0.09 0.27 -0.04 0.00 -1.06 0.00 0.00 38.32 37.58 1mnl h ASN 24 CO 0.02 -0.12 -0.13 0.11 -1.06 0.00 0.00 177.43 176.25 1mnl h LYS 25 N 0.10 -0.15 -0.52 0.81 6.56 0.14 0.40 116.57 123.91 1mnl h LYS 25 Ca 0.31 0.01 0.15 0.00 -1.06 0.00 0.00 60.65 60.06 1mnl h LYS 25 Cb 0.50 0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.17 1mnl h LYS 25 CO -0.52 -0.10 0.62 0.82 -2.06 0.00 0.00 179.45 178.20 1mnl h ILE 26 N -0.16 0.26 0.00 1.86 1.08 0.44 -3.43 117.51 117.56 1mnl h ILE 26 Ca 0.09 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.56 1mnl h ILE 26 Cb 0.29 0.50 0.00 0.00 -3.07 0.00 0.00 36.82 34.54 1mnl h ILE 26 CO -0.23 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 177.84 1mnl n GLY 27 N -1.52 1.79 2.79 5.37 0.00 0.14 -5.05 105.19 108.72 1mnl n GLY 27 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.47 3.81 -0.44 1.61 1.13 -0.22 -4.80 117.38 118.00 1mnl n GLN 28 Ca 0.00 -4.77 -0.01 0.00 -1.94 0.00 0.00 57.00 50.28 1mnl n GLN 28 Cb 0.00 -2.32 0.15 0.00 0.11 0.00 0.00 30.24 28.18 1mnl n GLN 28 CO 0.00 0.00 0.00 2.48 -1.44 0.00 0.00 177.06 178.10 1mnl n TYR 29 N 0.06 1.04 -0.30 1.08 0.18 -1.26 -3.82 117.16 114.14 1mnl n TYR 29 Ca 0.35 -0.53 0.06 0.00 1.88 0.00 0.00 57.90 59.66 1mnl n TYR 29 Cb 0.36 -0.36 0.13 0.00 -0.38 0.00 0.00 39.34 39.09 1mnl n TYR 29 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1mnl n GLY 30 N 0.14 -1.37 0.00 -7.48 0.00 -1.26 -4.80 105.19 90.43 1mnl n GLY 30 Ca 0.16 0.88 0.00 0.00 0.00 0.00 0.00 46.02 47.06 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 -5.34 0.00 -4.55 1.61 1.74 -1.26 -5.16 116.66 103.70 1mnl n ARG 31 Ca 0.14 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.92 1mnl n ARG 31 Cb 0.45 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.82 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 -0.35 0.00 -2.71 0.55 4.32 -1.26 -5.09 117.00 112.46 1mnl n LEU 32 Ca 0.00 -3.12 -0.07 0.00 -0.02 0.00 0.00 56.01 52.79 1mnl n LEU 32 Cb 0.00 0.57 0.10 0.00 -1.62 0.00 0.00 43.42 42.47 1mnl n LEU 32 CO 0.00 -0.46 0.46 0.41 -1.22 0.00 0.00 177.39 176.58 1mnl n THR 33 N -1.14 0.00 -2.14 -5.08 -1.04 -1.26 -4.49 114.28 99.13 1mnl n THR 33 Ca -0.16 -1.44 -0.05 0.00 -2.04 0.00 0.00 64.05 60.36 1mnl n THR 33 Cb 0.62 1.17 -0.02 0.00 -1.82 0.00 0.00 70.33 70.29 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 -0.21 -0.49 0.23 -1.42 -1.74 -1.26 -4.11 117.46 108.46 1mnl n PHE 34 Ca -0.01 -0.75 0.11 0.00 -0.56 0.00 0.00 57.45 56.24 1mnl n PHE 34 Cb 0.78 0.74 -0.07 0.00 1.52 0.00 0.00 39.48 42.45 1mnl n PHE 34 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 1mnl n ASN 35 N -0.37 0.45 -0.46 5.98 4.05 -1.26 -4.92 115.26 118.74 1mnl n ASN 35 Ca -0.23 -0.02 0.00 0.00 0.45 0.00 0.00 54.58 54.78 1mnl n ASN 35 Cb 0.71 1.20 0.00 0.00 1.23 0.00 0.00 39.78 42.92 1mnl n ASN 35 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 1mnl n LYS 36 N -2.26 3.20 -2.87 1.20 0.00 -1.08 -4.95 118.16 111.39 1mnl n LYS 36 Ca -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.25 1mnl n LYS 36 Cb 0.52 0.00 0.02 0.00 -0.00 0.00 0.00 35.03 35.57 1mnl n LYS 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1mnl n VAL 37 N 0.00 0.00 -3.67 0.58 0.31 -1.23 -4.98 118.33 109.35 1mnl n VAL 37 Ca 0.00 -0.62 -0.09 0.00 -0.01 0.00 0.00 64.34 63.62 1mnl n VAL 37 Cb 0.00 0.64 -0.10 0.00 -0.91 0.00 0.00 33.84 33.47 1mnl n VAL 37 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 1mnl s ILE 38 N -2.38 -0.52 0.11 2.52 -1.16 -1.26 -3.02 121.20 115.50 1mnl s ILE 38 Ca 0.11 0.16 0.00 0.00 -0.51 0.00 0.00 60.65 60.42 1mnl s ILE 38 Cb -0.03 -0.64 0.00 0.00 0.61 0.00 0.00 42.46 42.40 1mnl s ILE 38 CO 0.07 0.07 0.00 0.54 -2.81 0.00 0.00 174.94 172.81 1mnl n ARG 39 N 5.18 0.00 -1.13 3.50 5.12 -1.26 -4.68 116.66 123.39 1mnl n ARG 39 Ca -0.11 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.64 1mnl n ARG 39 Cb 0.50 -0.36 -0.08 0.00 -1.16 0.00 0.00 32.46 31.36 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 -3.32 2.03 -2.98 5.56 -0.04 -1.14 -4.91 135.00 130.21 1mnl n PRO 40 Ca 0.00 -1.50 -0.40 0.00 -0.04 0.00 0.00 63.50 61.56 1mnl n PRO 40 Cb 0.10 -1.91 -0.04 0.00 -0.04 0.00 0.00 33.50 31.61 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 0.88 1.06 0.14 0.00 -1.94 0.13 -2.68 119.30 116.90 1mnl s MET 42 Ca 0.40 -1.48 0.06 0.00 -1.71 0.00 0.00 55.69 52.96 1mnl s MET 42 Cb -0.18 -0.44 -0.04 0.00 2.01 0.00 0.00 34.83 36.18 1mnl s MET 42 CO 0.20 -0.02 -0.14 0.21 -0.01 0.00 0.00 175.02 175.26 1mnl s LYS 43 N -3.83 1.09 -0.29 2.03 2.20 0.61 -1.77 119.74 119.78 1mnl s LYS 43 Ca 0.19 -1.33 -0.04 0.00 -0.36 0.00 0.00 55.97 54.43 1mnl s LYS 43 Cb 0.04 -0.91 0.16 0.00 -1.51 0.00 0.00 37.83 35.62 1mnl s LYS 43 CO 0.01 0.16 0.60 0.21 -0.36 0.00 0.00 175.35 175.97 1mnl s LYS 44 N -2.99 0.55 0.18 4.03 2.20 -1.00 0.22 119.74 122.93 1mnl s LYS 44 Ca 0.12 1.13 0.10 0.00 -0.36 0.00 0.00 55.97 56.97 1mnl s LYS 44 Cb -0.03 0.59 -0.04 0.00 -1.51 0.00 0.00 37.83 36.84 1mnl s LYS 44 CO 0.03 -0.47 -0.22 0.99 -0.36 0.00 0.00 175.35 175.33 1mnl s THR 45 N 2.84 2.12 -0.57 3.43 2.01 -0.87 -2.51 115.64 122.10 1mnl s THR 45 Ca 0.11 -1.96 0.06 0.00 0.31 0.00 0.00 61.69 60.21 1mnl s THR 45 Cb -0.14 -1.99 0.30 0.00 0.01 0.00 0.00 72.50 70.69 1mnl s THR 45 CO -0.20 -0.18 0.83 0.00 -0.69 0.00 0.00 174.62 174.38 1mnl n ILE 46 N 0.33 2.34 -3.20 1.82 0.13 0.12 -1.03 119.36 119.88 1mnl n ILE 46 Ca -0.13 -5.28 -0.20 0.00 -1.10 0.00 0.00 62.75 56.03 1mnl n ILE 46 Cb 0.56 -1.60 0.05 0.00 -0.84 0.00 0.00 39.64 37.81 1mnl n ILE 46 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1mnl n TYR 47 N 0.29 -1.98 0.00 9.51 4.11 -1.25 -2.55 117.16 125.29 1mnl n TYR 47 Ca 0.30 -2.08 0.00 0.00 -0.00 0.00 0.00 57.90 56.12 1mnl n TYR 47 Cb 0.43 -0.51 0.00 0.00 -0.00 0.00 0.00 39.34 39.26 1mnl n TYR 47 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.86 174.95 1mnl n GLU 48 N -2.12 0.00 0.19 -3.48 4.07 -1.13 -4.77 120.64 113.40 1mnl n GLU 48 Ca 0.12 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.22 1mnl n GLU 48 Cb 0.58 -0.08 0.00 0.00 -0.06 0.00 0.00 31.44 31.89 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 -3.38 -0.23 4.31 4.13 -1.25 -4.99 115.26 113.85 1mnl n ASN 49 Ca 0.00 0.77 0.00 0.00 1.68 0.00 0.00 54.58 57.03 1mnl n ASN 49 Cb 0.00 3.23 0.00 0.00 -1.54 0.00 0.00 39.78 41.47 1mnl n ASN 49 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1mnl n GLU 50 N -3.28 0.00 0.00 3.52 4.71 -1.26 -4.88 120.64 119.45 1mnl n GLU 50 Ca 0.00 -0.32 0.00 0.00 -0.01 0.00 0.00 57.16 56.83 1mnl n GLU 50 Cb 0.00 -0.22 0.00 0.00 -1.01 0.00 0.00 31.44 30.21 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 0.00 1.54 -3.77 3.49 0.63 -1.26 -5.10 116.66 112.19 1mnl n ARG 51 Ca 0.00 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.88 1mnl n ARG 51 Cb 0.54 -0.94 -0.02 0.00 0.45 0.00 0.00 32.46 32.49 1mnl n ARG 51 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 1mnl s GLU 52 N -1.80 1.40 -0.06 -0.14 -1.05 -1.26 -5.11 118.70 110.68 1mnl s GLU 52 Ca 0.00 -0.75 0.05 0.00 -0.15 0.00 0.00 54.97 54.12 1mnl s GLU 52 Cb 0.00 0.49 -0.01 0.00 -0.44 0.00 0.00 34.13 34.17 1mnl s GLU 52 CO 0.00 -0.64 -0.21 0.42 0.95 0.00 0.00 175.26 175.78 1mnl s ILE 53 N -3.53 1.78 -0.13 1.83 -1.09 -1.26 -2.82 121.20 115.99 1mnl s ILE 53 Ca 0.11 -0.91 -0.12 0.00 -2.23 0.00 0.00 60.65 57.50 1mnl s ILE 53 Cb -0.03 -1.52 -0.06 0.00 -1.58 0.00 0.00 42.46 39.27 1mnl s ILE 53 CO 0.03 0.50 -0.25 0.29 -1.23 0.00 0.00 174.94 174.28 1mnl n LYS 54 N 3.12 0.39 -3.72 2.79 4.01 -1.26 -0.29 118.16 123.20 1mnl n LYS 54 Ca -0.18 0.16 -0.12 0.00 -0.51 0.00 0.00 58.31 57.66 1mnl n LYS 54 Cb 0.52 -1.18 -0.13 0.00 -0.51 0.00 0.00 35.03 33.74 1mnl n LYS 54 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1mnl s GLY 55 N -4.85 -0.18 -0.33 0.72 0.00 -1.06 -0.89 107.32 100.73 1mnl s GLY 55 Ca -0.23 1.09 0.04 0.00 0.00 0.00 0.00 44.72 45.62 1mnl s GLY 55 CO 0.32 1.32 0.05 -0.47 0.00 0.00 0.00 173.10 174.32 1mnl s TYR 56 N 1.26 3.62 0.43 1.90 6.14 -1.09 0.14 117.35 129.74 1mnl s TYR 56 Ca -0.09 -2.90 0.04 0.00 0.64 0.00 0.00 57.07 54.76 1mnl s TYR 56 Cb -0.10 -2.81 -0.05 0.00 0.42 0.00 0.00 41.96 39.42 1mnl s TYR 56 CO -0.09 -0.94 0.03 -2.00 0.64 0.00 0.00 175.55 173.19 1mnl s GLU 57 N 0.95 1.97 0.27 4.97 2.12 -1.04 -1.60 118.70 126.34 1mnl s GLU 57 Ca 0.10 -2.18 -0.21 0.00 0.36 0.00 0.00 54.97 53.05 1mnl s GLU 57 Cb -0.19 -1.30 0.05 0.00 0.26 0.00 0.00 34.13 32.94 1mnl s GLU 57 CO -0.09 -0.24 0.83 1.52 -0.54 0.00 0.00 175.26 176.74 1mnl s TYR 58 N -2.95 -0.06 -0.10 5.30 1.13 -0.60 -2.36 117.35 117.71 1mnl s TYR 58 Ca 0.24 -0.42 0.01 0.00 -1.41 0.00 0.00 57.07 55.49 1mnl s TYR 58 Cb 0.06 0.73 0.02 0.00 -1.10 0.00 0.00 41.96 41.67 1mnl s TYR 58 CO 0.12 -1.21 -0.10 1.14 -2.51 0.00 0.00 175.55 172.99 1mnl s GLN 59 N -3.15 1.68 -0.70 -3.49 -2.07 -0.73 -2.95 119.66 108.25 1mnl s GLN 59 Ca 0.14 -0.35 0.05 0.00 -1.82 0.00 0.00 55.36 53.37 1mnl s GLN 59 Cb -0.04 -1.56 0.24 0.00 -1.09 0.00 0.00 33.01 30.55 1mnl s GLN 59 CO 0.07 -0.14 0.75 -0.11 -1.32 0.00 0.00 175.29 174.54 1mnl n LEU 60 N 4.44 3.84 -4.58 2.60 0.00 -1.06 0.23 117.00 122.46 1mnl n LEU 60 Ca -0.17 -5.37 -0.42 0.00 0.00 0.00 0.00 56.01 50.05 1mnl n LEU 60 Cb 0.51 -0.75 -0.03 0.00 0.00 0.00 0.00 43.42 43.15 1mnl n LEU 60 CO 0.21 1.95 1.44 -0.47 0.00 0.00 0.00 177.39 180.51 1mnl s TYR 61 N -2.25 1.99 0.00 1.96 6.14 -1.04 -1.12 117.35 123.03 1mnl s TYR 61 Ca 0.36 0.64 0.00 0.00 0.64 0.00 0.00 57.07 58.71 1mnl s TYR 61 Cb 0.09 -4.21 0.00 0.00 0.42 0.00 0.00 41.96 38.26 1mnl s TYR 61 CO -0.04 -2.40 0.00 1.33 0.64 0.00 0.00 175.55 175.08 1mnl n VAL 62 N 7.18 0.00 -4.20 3.14 0.24 0.77 -2.86 118.33 122.60 1mnl n VAL 62 Ca 0.19 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.37 1mnl n VAL 62 Cb 0.49 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.76 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 -0.32 1.04 0.00 6.34 5.04 -1.17 -1.14 117.35 127.15 1mnl s TYR 63 Ca 0.00 -0.94 0.00 0.00 -2.44 0.00 0.00 57.07 53.69 1mnl s TYR 63 Cb 0.00 -0.59 0.00 0.00 0.35 0.00 0.00 41.96 41.72 1mnl s TYR 63 CO 0.00 -0.15 0.00 0.00 -1.34 0.00 0.00 175.55 174.06 1mnl n ALA 64 N -0.13 0.00 1.55 3.97 0.00 -1.03 -3.47 120.51 121.40 1mnl n ALA 64 Ca -0.10 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.48 1mnl n ALA 64 Cb 0.62 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.68 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 0.92 0.00 0.00 2.88 -1.26 -2.65 113.62 113.51 1mnl n SER 65 Ca 0.00 -1.13 0.00 0.00 -1.33 0.00 0.00 58.87 56.41 1mnl n SER 65 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1mnl n SER 65 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1mnl n ASP 66 N -0.40 0.00 -3.73 -3.46 -0.08 -1.26 -4.93 116.55 102.68 1mnl n ASP 66 Ca 0.18 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.16 1mnl n ASP 66 Cb 0.29 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.61 1mnl n ASP 66 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 1mnl s LYS 67 N 0.00 1.10 -1.26 -0.67 2.36 -1.26 -5.04 119.74 114.96 1mnl s LYS 67 Ca 0.00 -1.68 -0.12 0.00 -2.55 0.00 0.00 55.97 51.62 1mnl s LYS 67 Cb 0.00 -2.26 0.16 0.00 -1.05 0.00 0.00 37.83 34.68 1mnl s LYS 67 CO 0.00 -1.09 1.71 1.28 1.55 0.00 0.00 175.35 178.80 1mnl n LEU 68 N 4.03 5.97 0.00 5.43 7.99 -1.26 -2.46 117.00 136.70 1mnl n LEU 68 Ca 0.05 -4.50 0.00 0.00 -0.01 0.00 0.00 56.01 51.55 1mnl n LEU 68 Cb 0.37 -1.56 0.00 0.00 -0.11 0.00 0.00 43.42 42.12 1mnl n LEU 68 CO 0.20 1.02 0.00 2.22 -1.51 0.00 0.00 177.39 179.32 1mnl n PHE 69 N 4.98 0.00 -3.98 -1.77 1.16 -0.29 -3.90 117.46 113.66 1mnl n PHE 69 Ca 0.40 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.87 1mnl n PHE 69 Cb 0.40 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.15 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 0.30 -0.43 3.97 3.52 -0.97 0.27 118.95 125.61 1mnl s ARG 70 Ca 0.00 -0.50 -0.08 0.00 -0.13 0.00 0.00 55.73 55.01 1mnl s ARG 70 Cb 0.00 -0.00 0.09 0.00 -1.56 0.00 0.00 34.95 33.48 1mnl s ARG 70 CO 0.00 -0.02 0.27 0.00 -0.81 0.00 0.00 175.30 174.75 1mnl s ALA 71 N -1.11 3.30 0.57 6.12 0.00 -0.27 -2.60 121.76 127.76 1mnl s ALA 71 Ca -0.11 -2.29 -0.08 0.00 0.00 0.00 0.00 51.96 49.48 1mnl s ALA 71 Cb -0.08 -2.66 -0.02 0.00 0.00 0.00 0.00 23.12 20.36 1mnl s ALA 71 CO -0.01 -1.73 0.92 0.34 0.00 0.00 0.00 175.76 175.28 1mnl s ASP 72 N 2.23 6.04 -0.30 0.00 2.15 -0.11 -2.57 116.67 124.12 1mnl s ASP 72 Ca 0.04 1.07 -0.03 0.00 0.43 0.00 0.00 52.55 54.06 1mnl s ASP 72 Cb -0.24 -2.19 0.19 0.00 -0.30 0.00 0.00 42.92 40.38 1mnl s ASP 72 CO 0.01 -0.84 0.70 -0.51 -0.17 0.00 0.00 175.17 174.35 1mnl s ILE 73 N -2.99 -0.85 0.19 4.11 -1.16 -1.15 -2.36 121.20 116.98 1mnl s ILE 73 Ca 0.52 0.00 0.06 0.00 -0.51 0.00 0.00 60.65 60.72 1mnl s ILE 73 Cb -0.11 -0.98 -0.04 0.00 0.61 0.00 0.00 42.46 41.94 1mnl s ILE 73 CO 0.49 0.00 0.11 -0.55 -2.81 0.00 0.00 174.94 172.18 1mnl s SER 74 N 2.88 5.30 -0.28 4.50 0.15 0.06 -1.55 113.70 124.75 1mnl s SER 74 Ca 0.16 -0.25 0.01 0.00 0.70 0.00 0.00 55.95 56.57 1mnl s SER 74 Cb -0.13 -1.31 0.17 0.00 -1.71 0.00 0.00 66.02 63.04 1mnl s SER 74 CO -0.20 0.04 0.48 -1.61 1.20 0.00 0.00 173.24 173.15 1mnl s GLU 75 N -3.27 0.46 1.00 5.44 2.02 0.18 -2.32 118.70 122.20 1mnl s GLU 75 Ca 0.31 0.49 -0.20 0.00 0.02 0.00 0.00 54.97 55.59 1mnl s GLU 75 Cb -0.09 -0.07 -0.16 0.00 0.10 0.00 0.00 34.13 33.91 1mnl s GLU 75 CO 0.22 -0.86 -1.01 -0.40 0.02 0.00 0.00 175.26 173.24 1mnl n ASP 76 N 5.38 -5.21 0.00 -0.19 5.68 -0.93 -2.69 116.55 118.59 1mnl n ASP 76 Ca 0.00 0.13 0.00 0.00 -0.50 0.00 0.00 54.79 54.42 1mnl n ASP 76 Cb 0.51 -0.69 0.00 0.00 -1.14 0.00 0.00 41.12 39.80 1mnl n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1mnl n TYR 77 N -2.78 -0.51 -0.02 2.11 4.19 -0.06 -4.64 117.16 115.44 1mnl n TYR 77 Ca -0.02 0.00 -0.03 0.00 3.31 0.00 0.00 57.90 61.16 1mnl n TYR 77 Cb 0.61 0.23 -0.03 0.00 0.49 0.00 0.00 39.34 40.65 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 -1.69 1.71 -0.08 2.98 3.00 0.61 -4.51 118.16 120.18 1mnl n LYS 78 Ca 0.00 0.01 0.07 0.00 -0.00 0.00 0.00 58.31 58.39 1mnl n LYS 78 Cb 0.00 -1.11 0.26 0.00 0.00 0.00 0.00 35.03 34.18 1mnl n LYS 78 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1mnl n THR 79 N -2.41 0.22 -2.92 3.15 -2.24 -1.20 -4.90 114.28 103.98 1mnl n THR 79 Ca -0.08 -0.27 -0.11 0.00 -2.27 0.00 0.00 64.05 61.32 1mnl n THR 79 Cb 0.62 0.14 0.06 0.00 -2.10 0.00 0.00 70.33 69.05 1mnl n THR 79 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1mnl n ARG 80 N 0.05 -3.99 0.00 -0.78 1.74 -1.26 -5.02 116.66 107.40 1mnl n ARG 80 Ca 0.11 0.58 0.00 0.00 -0.77 0.00 0.00 57.85 57.77 1mnl n ARG 80 Cb 0.21 -4.73 0.00 0.00 -1.02 0.00 0.00 32.46 26.93 1mnl n ARG 80 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1mnl n GLY 81 N -1.13 -3.02 3.58 -0.13 0.00 -1.26 -4.81 105.19 98.43 1mnl n GLY 81 Ca -0.17 -0.24 -0.05 0.00 0.00 0.00 0.00 46.02 45.55 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 0.40 -0.28 1.61 1.70 -1.26 -4.32 118.95 116.80 1mnl s ARG 82 Ca 0.00 -0.11 -0.10 0.00 -0.47 0.00 0.00 55.73 55.06 1mnl s ARG 82 Cb 0.00 0.19 -0.03 0.00 -0.57 0.00 0.00 34.95 34.54 1mnl s ARG 82 CO 0.00 -0.17 0.14 0.21 -1.08 0.00 0.00 175.30 174.41 1mnl s LYS 83 N -2.28 3.62 -0.22 3.89 2.20 -1.23 0.49 119.74 126.21 1mnl s LYS 83 Ca 0.07 -0.52 -0.28 0.00 -0.36 0.00 0.00 55.97 54.88 1mnl s LYS 83 Cb -0.01 -3.54 0.14 0.00 -1.51 0.00 0.00 37.83 32.92 1mnl s LYS 83 CO -0.05 -0.28 1.10 -1.17 -0.36 0.00 0.00 175.35 174.59 1mnl s LEU 84 N 1.66 -0.31 0.07 5.43 1.98 -0.98 -4.93 118.68 121.60 1mnl s LEU 84 Ca 0.06 0.43 0.01 0.00 -2.89 0.00 0.00 54.13 51.74 1mnl s LEU 84 Cb -0.16 1.68 -0.04 0.00 0.66 0.00 0.00 46.19 48.33 1mnl s LEU 84 CO 0.07 -0.22 -0.05 -1.48 -1.89 0.00 0.00 176.35 172.78 1mnl s LEU 85 N -0.66 2.46 -0.00 -0.68 2.34 -1.25 -0.76 118.68 120.13 1mnl s LEU 85 Ca 0.02 -0.93 -0.04 0.00 0.06 0.00 0.00 54.13 53.24 1mnl s LEU 85 Cb -0.02 0.03 -0.00 0.00 -0.56 0.00 0.00 46.19 45.63 1mnl s LEU 85 CO -0.03 -0.48 0.08 -0.13 -1.06 0.00 0.00 176.35 174.73 1mnl s ARG 86 N -3.48 0.35 -0.61 1.48 0.52 -1.00 -4.85 118.95 111.35 1mnl s ARG 86 Ca 0.06 -0.34 0.04 0.00 -0.52 0.00 0.00 55.73 54.97 1mnl s ARG 86 Cb 0.04 0.14 0.15 0.00 0.52 0.00 0.00 34.95 35.80 1mnl s ARG 86 CO -0.06 -0.07 0.38 -0.06 0.02 0.00 0.00 175.30 175.51 1mnl s PHE 87 N -1.08 3.38 0.00 -0.53 0.08 -1.25 -0.94 117.98 117.64 1mnl s PHE 87 Ca -0.12 -3.23 0.00 0.00 0.12 0.00 0.00 56.93 53.70 1mnl s PHE 87 Cb -0.07 -2.80 0.00 0.00 -0.57 0.00 0.00 43.02 39.59 1mnl s PHE 87 CO 0.00 -0.66 0.00 0.27 -0.10 0.00 0.00 175.22 174.74 1mnl n ASN 88 N 2.60 0.00 -0.93 1.36 6.94 -1.07 -4.90 115.26 119.27 1mnl n ASN 88 Ca 0.12 -0.77 0.00 0.00 -0.02 0.00 0.00 54.58 53.91 1mnl n ASN 88 Cb 0.34 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.76 1mnl n ASN 88 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1mnl n GLY 89 N 0.00 0.75 3.73 4.83 0.00 -1.26 -2.29 105.19 110.95 1mnl n GLY 89 Ca 0.00 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.63 2.49 0.00 1.61 0.04 -1.26 -4.43 135.00 130.81 1mnl s PRO 90 Ca 0.00 1.92 0.16 0.00 0.04 0.00 0.00 61.00 63.12 1mnl s PRO 90 Cb 0.00 -1.86 0.94 0.00 0.04 0.00 0.00 34.50 33.62 1mnl s PRO 90 CO 0.00 -1.61 1.35 1.33 0.04 0.00 0.00 177.00 178.11