#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1snl s LYS 2 N 0.00 2.91 -0.02 3.23 2.20 -1.26 -4.87 119.74 121.93 1snl s LYS 2 Ca 0.00 1.75 -0.30 0.00 -0.36 0.00 0.00 55.97 57.07 1snl s LYS 2 Cb 0.00 -4.40 0.10 0.00 -1.51 0.00 0.00 37.83 32.03 1snl s LYS 2 CO 0.00 -2.36 1.01 -2.00 -0.36 0.00 0.00 175.35 171.64 1snl s GLU 3 N 6.70 0.74 -0.14 4.03 2.12 -1.26 -5.17 118.70 125.72 1snl s GLU 3 Ca 0.96 -0.32 -0.10 0.00 0.36 0.00 0.00 54.97 55.87 1snl s GLU 3 Cb -0.27 0.31 0.04 0.00 0.26 0.00 0.00 34.13 34.47 1snl s GLU 3 CO 0.32 -0.33 0.35 0.14 -0.54 0.00 0.00 175.26 175.21 1snl s VAL 4 N -2.93 -0.02 -1.77 3.70 -7.23 -1.26 -5.01 120.40 105.88 1snl s VAL 4 Ca 0.08 0.06 0.01 0.00 -1.81 0.00 0.00 61.98 60.32 1snl s VAL 4 Cb -0.00 -0.51 0.03 0.00 0.56 0.00 0.00 36.38 36.45 1snl s VAL 4 CO -0.05 0.02 0.92 -2.67 -0.31 0.00 0.00 175.10 173.01 1snl n TRP 5 N 3.56 0.05 0.00 2.82 4.27 -1.26 -4.93 117.44 121.95 1snl n TRP 5 Ca -0.18 -0.02 0.00 0.00 -3.89 0.00 0.00 57.50 53.40 1snl n TRP 5 Cb 0.56 -0.03 0.00 0.00 -1.36 0.00 0.00 31.31 30.48 1snl n TRP 5 CO 0.00 0.00 0.00 -1.91 -2.29 0.00 0.00 177.69 173.49 1snl n GLU 6 N -0.32 0.00 0.00 -2.67 4.07 -1.26 -4.09 120.64 116.37 1snl n GLU 6 Ca 0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 1snl n GLU 6 Cb 0.08 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.46 1snl n GLU 6 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1snl n GLU 7 N 0.00 0.00 -3.64 5.31 4.07 -1.26 -5.13 120.64 119.99 1snl n GLU 7 Ca 0.00 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 57.01 1snl n GLU 7 Cb 0.00 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.31 1snl n GLU 7 CO 0.00 0.00 0.00 -0.48 -0.06 0.00 0.00 177.13 176.59 1snl s LEU 8 N -0.98 -0.60 -0.33 4.31 0.05 -1.26 -5.03 118.68 114.84 1snl s LEU 8 Ca 0.00 1.10 0.09 0.00 0.05 0.00 0.00 54.13 55.36 1snl s LEU 8 Cb 0.00 2.08 0.73 0.00 -2.05 0.00 0.00 46.19 46.95 1snl s LEU 8 CO 0.00 -0.18 1.81 -0.67 -0.55 0.00 0.00 176.35 176.75 1snl n ASP 9 N 2.86 4.69 -0.20 1.48 2.03 -1.26 -4.36 116.55 121.79 1snl n ASP 9 Ca -0.15 -3.24 0.04 0.00 0.52 0.00 0.00 54.79 51.96 1snl n ASP 9 Cb 0.56 -0.76 0.15 0.00 -0.72 0.00 0.00 41.12 40.35 1snl n ASP 9 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1snl n GLY 10 N -0.24 -0.50 2.70 0.27 0.00 -1.26 -4.86 105.19 101.29 1snl n GLY 10 Ca 0.43 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 46.11 1snl n GLY 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1snl n LEU 11 N -0.23 -1.87 -3.49 0.99 7.99 -1.26 -3.41 117.00 115.72 1snl n LEU 11 Ca 0.06 -0.08 -0.30 0.00 -0.01 0.00 0.00 56.01 55.68 1snl n LEU 11 Cb 0.11 -2.63 0.02 0.00 -0.11 0.00 0.00 43.42 40.81 1snl n LEU 11 CO 0.04 -0.03 -0.20 0.47 -1.51 0.00 0.00 177.39 176.16 1snl n ASP 12 N -2.13 -5.70 0.00 -1.43 9.92 -1.26 -4.72 116.55 111.23 1snl n ASP 12 Ca -0.16 -0.29 0.00 0.00 -0.53 0.00 0.00 54.79 53.82 1snl n ASP 12 Cb 0.63 -2.23 0.02 0.00 -0.64 0.00 0.00 41.12 38.90 1snl n ASP 12 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1snl n PRO 13 N -0.91 0.51 -3.25 -0.24 -0.04 -1.22 -4.42 135.00 125.43 1snl n PRO 13 Ca -0.12 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 62.88 1snl n PRO 13 Cb 0.66 -1.02 -0.03 0.00 -0.04 0.00 0.00 33.50 33.06 1snl n PRO 13 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1snl s ASN 14 N -1.51 6.57 0.54 3.54 -0.87 -1.26 -4.78 114.94 117.16 1snl s ASN 14 Ca 0.01 -2.29 0.08 0.00 -1.57 0.00 0.00 52.86 49.08 1snl s ASN 14 Cb 0.00 -2.24 0.42 0.00 -0.02 0.00 0.00 41.25 39.41 1snl s ASN 14 CO 0.01 -0.75 1.16 -0.09 -2.57 0.00 0.00 177.10 174.86 1snl h ARG 15 N 8.29 0.00 -3.20 -0.60 1.12 -1.97 -3.44 114.38 114.58 1snl h ARG 15 Ca -0.02 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.83 1snl h ARG 15 Cb 1.06 0.00 0.02 0.00 -0.01 0.00 0.00 29.97 31.03 1snl h ARG 15 CO 0.89 0.00 -0.07 0.34 -3.11 0.00 0.00 179.97 178.03 1snl n PHE 16 N -2.35 -0.20 -3.17 2.20 7.35 -1.26 -4.54 117.46 115.49 1snl n PHE 16 Ca -0.01 0.07 -0.17 0.00 -0.76 0.00 0.00 57.45 56.58 1snl n PHE 16 Cb 0.73 -2.59 0.02 0.00 0.35 0.00 0.00 39.48 37.99 1snl n PHE 16 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1snl n ASN 17 N -1.61 -6.68 0.06 -2.13 5.03 -1.26 -4.72 115.26 103.95 1snl n ASN 17 Ca -0.01 0.36 0.04 0.00 0.87 0.00 0.00 54.58 55.84 1snl n ASN 17 Cb 0.51 -3.02 0.20 0.00 -1.02 0.00 0.00 39.78 36.45 1snl n ASN 17 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 1snl n PRO 18 N 0.27 0.05 -0.34 3.52 -0.02 -1.26 -2.37 135.00 134.84 1snl n PRO 18 Ca -0.01 0.53 0.01 0.00 -2.02 0.00 0.00 63.50 62.02 1snl n PRO 18 Cb 0.49 -1.68 0.15 0.00 -0.02 0.00 0.00 33.50 32.45 1snl n PRO 18 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1snl h LYS 19 N 0.00 1.04 -0.59 -0.52 3.64 -1.97 -2.25 116.57 115.93 1snl h LYS 19 Ca 0.00 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.22 1snl h LYS 19 Cb 0.05 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.61 1snl h LYS 19 CO 0.00 0.69 -0.02 1.15 -2.27 0.00 0.00 179.45 179.00 1snl h THR 20 N 1.08 1.27 -0.69 1.00 2.02 -1.77 -2.37 112.91 113.44 1snl h THR 20 Ca 0.40 -1.17 0.11 0.00 0.77 0.00 0.00 66.41 66.51 1snl h THR 20 Cb 0.16 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 1snl h THR 20 CO -0.17 0.42 0.46 0.15 0.37 0.00 0.00 175.52 176.75 1snl h PHE 21 N 0.96 0.56 -0.24 3.16 3.04 -1.59 0.82 116.94 123.64 1snl h PHE 21 Ca 0.17 0.02 -0.12 0.00 3.98 0.00 0.00 57.97 62.01 1snl h PHE 21 Cb 0.58 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.90 1snl h PHE 21 CO 0.04 0.25 -0.35 0.35 -2.02 0.00 0.00 178.31 176.58 1snl h PHE 22 N 0.51 0.62 0.32 0.41 3.04 -1.25 -2.23 116.94 118.36 1snl h PHE 22 Ca 0.32 -0.16 -0.02 0.00 3.98 0.00 0.00 57.97 62.09 1snl h PHE 22 Cb 0.56 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 38.94 1snl h PHE 22 CO -0.00 0.81 -0.15 0.82 -2.02 0.00 0.00 178.31 177.77 1snl h ILE 23 N 0.45 0.00 -1.15 1.41 2.04 -0.71 -2.44 117.51 117.10 1snl h ILE 23 Ca 0.05 -0.53 0.33 0.00 1.00 0.00 0.00 64.86 65.71 1snl h ILE 23 Cb 0.82 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.80 1snl h ILE 23 CO 0.07 0.00 0.75 0.25 0.00 0.00 0.00 178.15 179.22 1snl h LEU 24 N -0.96 0.34 -0.08 1.44 5.85 -1.26 1.38 115.31 122.03 1snl h LEU 24 Ca -0.04 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1snl h LEU 24 Cb 0.33 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1snl h LEU 24 CO 0.07 -0.02 0.00 1.57 -0.34 0.00 0.00 178.44 179.72 1snl n HIS 25 N -4.62 0.88 -2.51 1.25 -0.00 -0.84 -4.52 115.22 104.87 1snl n HIS 25 Ca 0.30 0.27 -0.40 0.00 0.46 0.00 0.00 57.72 58.34 1snl n HIS 25 Cb 1.11 -0.93 -0.03 0.00 -0.12 0.00 0.00 29.99 30.01 1snl n HIS 25 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1snl s ASP 26 N -4.44 6.28 -0.08 0.26 1.01 0.47 -4.82 116.67 115.35 1snl s ASP 26 Ca 0.10 -1.08 -0.23 0.00 0.71 0.00 0.00 52.55 52.04 1snl s ASP 26 Cb 0.12 -2.57 -0.19 0.00 1.01 0.00 0.00 42.92 41.30 1snl s ASP 26 CO 0.57 -1.71 0.87 0.40 0.21 0.00 0.00 175.17 175.51 1snl h ILE 27 N 6.63 1.24 -0.26 0.77 2.04 -1.80 -3.25 117.51 122.88 1snl h ILE 27 Ca 0.05 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.37 1snl h ILE 27 Cb 1.02 2.17 0.00 0.00 -0.74 0.00 0.00 36.82 39.27 1snl h ILE 27 CO 1.37 0.36 0.00 0.59 0.00 0.00 0.00 178.15 180.46 1snl n ASN 28 N -4.79 1.83 -4.02 1.72 5.03 -1.26 -4.92 115.26 108.86 1snl n ASN 28 Ca -0.08 -2.09 -0.36 0.00 0.87 0.00 0.00 54.58 52.91 1snl n ASN 28 Cb 0.32 -0.29 -0.01 0.00 -1.02 0.00 0.00 39.78 38.78 1snl n ASN 28 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1snl n SER 29 N 0.29 -2.57 -0.60 6.41 7.64 -1.23 -4.82 113.62 118.73 1snl n SER 29 Ca 0.10 -1.18 0.12 0.00 1.01 0.00 0.00 58.87 58.91 1snl n SER 29 Cb 0.33 -2.29 0.11 0.00 -1.01 0.00 0.00 64.21 61.35 1snl n SER 29 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1snl n ASP 30 N -2.58 2.17 0.00 6.43 -0.08 -1.26 -4.92 116.55 116.30 1snl n ASP 30 Ca -0.19 -1.59 0.00 0.00 -1.51 0.00 0.00 54.79 51.50 1snl n ASP 30 Cb 0.62 0.27 0.00 0.00 2.34 0.00 0.00 41.12 44.35 1snl n ASP 30 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1snl n GLY 31 N 1.37 0.76 3.22 0.27 0.00 -1.26 -4.96 105.19 104.59 1snl n GLY 31 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 1snl n GLY 31 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1snl s VAL 32 N -3.25 0.10 -0.13 1.61 -7.23 -1.26 -3.91 120.40 106.32 1snl s VAL 32 Ca 0.00 -1.65 -0.00 0.00 -1.81 0.00 0.00 61.98 58.52 1snl s VAL 32 Cb 0.00 -1.88 -0.01 0.00 0.56 0.00 0.00 36.38 35.05 1snl s VAL 32 CO 0.00 -0.45 -0.14 -0.76 -0.31 0.00 0.00 175.10 173.44 1snl s LEU 33 N -2.99 2.66 0.32 1.32 1.43 -1.05 -4.98 118.68 115.38 1snl s LEU 33 Ca 0.19 -0.36 0.08 0.00 -1.03 0.00 0.00 54.13 53.00 1snl s LEU 33 Cb 0.06 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 1snl s LEU 33 CO -0.01 0.15 0.22 1.51 0.23 0.00 0.00 176.35 178.45 1snl s ASP 34 N 0.45 5.12 0.09 2.29 -4.77 -1.26 -2.76 116.67 115.83 1snl s ASP 34 Ca -0.10 -0.53 0.04 0.00 -3.30 0.00 0.00 52.55 48.65 1snl s ASP 34 Cb -0.16 -0.97 0.19 0.00 -1.09 0.00 0.00 42.92 40.89 1snl s ASP 34 CO 0.05 -0.26 0.93 1.21 0.70 0.00 0.00 175.17 177.79 1snl n GLU 35 N -1.25 0.02 0.09 2.11 0.00 -1.25 -0.18 120.64 120.18 1snl n GLU 35 Ca -0.03 0.37 -0.18 0.00 0.00 0.00 0.00 57.16 57.31 1snl n GLU 35 Cb 0.60 -1.82 -0.14 0.00 0.00 0.00 0.00 31.44 30.08 1snl n GLU 35 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 1snl h GLN 36 N 0.00 0.32 -0.07 5.31 1.08 -1.93 -0.69 115.11 119.12 1snl h GLN 36 Ca 0.00 -0.54 -0.16 0.00 -1.45 0.00 0.00 58.65 56.50 1snl h GLN 36 Cb 0.47 0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 28.09 1snl h GLN 36 CO 0.00 1.21 -0.67 0.93 -0.95 0.00 0.00 178.83 179.35 1snl h GLU 37 N 0.09 0.30 0.14 1.46 5.08 -0.95 -2.45 114.58 118.25 1snl h GLU 37 Ca -0.23 -0.23 -0.30 0.00 -1.00 0.00 0.00 59.36 57.60 1snl h GLU 37 Cb 2.04 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.33 1snl h GLU 37 CO 0.19 0.86 -1.43 -0.07 -1.00 0.00 0.00 179.01 177.56 1snl h LEU 38 N 0.21 0.48 -0.78 1.33 3.38 -1.61 -2.66 115.31 115.66 1snl h LEU 38 Ca -0.02 -0.58 -0.00 0.00 0.09 0.00 0.00 57.88 57.37 1snl h LEU 38 Cb 1.21 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 1snl h LEU 38 CO 0.11 1.47 0.47 -0.08 0.09 0.00 0.00 178.44 180.50 1snl h GLU 39 N 0.08 1.06 0.00 1.13 4.81 -1.11 -0.61 114.58 119.94 1snl h GLU 39 Ca -0.21 -0.09 -0.14 0.00 -0.13 0.00 0.00 59.36 58.79 1snl h GLU 39 Cb 2.03 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 31.17 1snl h GLU 39 CO 0.19 0.74 -0.66 0.00 -0.73 0.00 0.00 179.01 178.56 1snl h ALA 40 N 1.25 0.87 0.00 2.92 0.00 -1.52 -2.94 119.26 119.85 1snl h ALA 40 Ca 0.28 -0.60 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 1snl h ALA 40 Cb -0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1snl h ALA 40 CO -0.05 0.83 -0.41 1.25 0.00 0.00 0.00 179.25 180.86 1snl h LEU 41 N 0.00 0.00 0.00 0.00 6.46 -1.02 -2.32 115.31 118.43 1snl h LEU 41 Ca -0.01 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1snl h LEU 41 Cb 1.20 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.13 1snl h LEU 41 CO 0.09 0.41 -0.02 -0.26 -0.62 0.00 0.00 178.44 178.04 1snl h PHE 42 N 0.00 0.01 -0.74 1.25 0.04 -1.05 -1.89 116.94 114.55 1snl h PHE 42 Ca -0.00 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.71 1snl h PHE 42 Cb 1.15 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.27 1snl h PHE 42 CO 0.00 0.95 0.28 1.15 -0.60 0.00 0.00 178.31 180.10 1snl h THR 43 N -0.93 1.25 -0.03 -1.55 2.02 -1.60 -2.97 112.91 109.09 1snl h THR 43 Ca -0.00 -0.81 -0.06 0.00 0.77 0.00 0.00 66.41 66.31 1snl h THR 43 Cb 0.96 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1snl h THR 43 CO 0.00 0.33 -0.21 0.50 0.37 0.00 0.00 175.52 176.51 1snl h LYS 44 N 1.07 0.20 -0.44 6.66 3.64 -1.53 -3.17 116.57 122.99 1snl h LYS 44 Ca 0.24 -0.17 0.13 0.00 -1.27 0.00 0.00 60.65 59.58 1snl h LYS 44 Cb 0.23 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1snl h LYS 44 CO -0.02 0.84 0.39 1.49 -2.27 0.00 0.00 179.45 179.88 1snl h GLU 45 N -0.39 0.00 0.00 1.90 4.81 -1.34 0.13 114.58 119.69 1snl h GLU 45 Ca -0.02 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 1snl h GLU 45 Cb 0.88 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 1snl h GLU 45 CO 0.04 0.00 -0.46 -0.07 -0.73 0.00 0.00 179.01 177.79 1snl h LEU 46 N 0.00 0.00 0.00 1.64 3.38 -1.50 -3.07 115.31 115.76 1snl h LEU 46 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1snl h LEU 46 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1snl h LEU 46 CO -0.00 0.46 0.00 -1.84 0.09 0.00 0.00 178.44 177.15 1snl n GLU 47 N -3.32 0.38 -0.72 1.13 -0.00 0.44 -1.95 120.64 116.59 1snl n GLU 47 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.18 1snl n GLU 47 Cb 0.66 -1.45 0.26 0.00 -0.00 0.00 0.00 31.44 30.90 1snl n GLU 47 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1snl n LYS 48 N -0.95 2.84 0.14 3.44 5.02 -1.16 -4.71 118.16 122.77 1snl n LYS 48 Ca 0.08 -3.01 0.00 0.00 -2.02 0.00 0.00 58.31 53.36 1snl n LYS 48 Cb 0.04 -1.95 0.00 0.00 -0.02 0.00 0.00 35.03 33.10 1snl n LYS 48 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1snl n VAL 49 N -0.60 0.00 -0.46 -0.18 0.31 -0.82 -5.13 118.33 111.46 1snl n VAL 49 Ca 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.64 1snl n VAL 49 Cb 1.09 -0.30 0.00 0.00 -0.91 0.00 0.00 33.84 33.72 1snl n VAL 49 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1snl n TYR 50 N -3.22 -1.36 -3.01 3.52 4.01 -1.14 -5.07 117.16 110.89 1snl n TYR 50 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.61 1snl n TYR 50 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.00 1snl n TYR 50 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 1snl s ASP 51 N -1.00 -0.33 1.35 7.72 -4.77 -1.26 -4.93 116.67 113.45 1snl s ASP 51 Ca 0.00 -2.25 -0.21 0.00 -3.30 0.00 0.00 52.55 46.79 1snl s ASP 51 Cb 0.00 0.99 0.33 0.00 -1.09 0.00 0.00 42.92 43.15 1snl s ASP 51 CO 0.00 -0.10 0.75 -2.65 0.70 0.00 0.00 175.17 173.87 1snl n PRO 52 N 2.91 -4.13 -3.18 2.11 -0.02 -1.26 -4.38 135.00 127.05 1snl n PRO 52 Ca 0.23 -1.22 -0.08 0.00 -2.02 0.00 0.00 63.50 60.40 1snl n PRO 52 Cb 0.53 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 1snl n PRO 52 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1snl n LYS 53 N -4.74 -1.61 0.00 -0.52 5.02 -1.26 -4.86 118.16 110.19 1snl n LYS 53 Ca 0.11 1.49 0.00 0.00 -2.02 0.00 0.00 58.31 57.89 1snl n LYS 53 Cb 0.53 -4.89 0.00 0.00 -0.02 0.00 0.00 35.03 30.65 1snl n LYS 53 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1snl n ASN 54 N -1.53 0.00 -3.91 4.39 2.04 -1.26 -5.13 115.26 109.86 1snl n ASN 54 Ca -0.04 0.00 -0.17 0.00 -0.44 0.00 0.00 54.58 53.93 1snl n ASN 54 Cb 0.54 0.00 -0.15 0.00 -2.53 0.00 0.00 39.78 37.64 1snl n ASN 54 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 1snl s GLU 55 N -0.80 0.50 0.00 -3.83 0.41 -1.26 -4.98 118.70 108.74 1snl s GLU 55 Ca 0.00 -0.10 0.00 0.00 -0.41 0.00 0.00 54.97 54.46 1snl s GLU 55 Cb 0.00 -0.53 0.00 0.00 -1.78 0.00 0.00 34.13 31.82 1snl s GLU 55 CO 0.00 0.01 0.67 -1.91 -0.49 0.00 0.00 175.26 173.53 1snl n GLU 56 N 3.50 0.00 -3.36 1.61 2.13 -1.26 -3.38 120.64 119.88 1snl n GLU 56 Ca -0.19 0.19 -0.24 0.00 0.66 0.00 0.00 57.16 57.57 1snl n GLU 56 Cb 0.54 -1.51 -0.09 0.00 0.27 0.00 0.00 31.44 30.65 1snl n GLU 56 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1snl s ASP 57 N -2.34 1.64 0.19 4.31 2.15 -1.26 -5.12 116.67 116.25 1snl s ASP 57 Ca 0.00 -2.40 0.08 0.00 0.43 0.00 0.00 52.55 50.67 1snl s ASP 57 Cb 0.00 -0.05 -0.04 0.00 -0.30 0.00 0.00 42.92 42.53 1snl s ASP 57 CO 0.00 -0.22 -0.16 -0.62 -0.17 0.00 0.00 175.17 173.99 1snl s ASP 58 N 0.71 2.69 0.00 -0.34 2.15 -1.22 -4.66 116.67 116.01 1snl s ASP 58 Ca 0.25 -0.96 0.00 0.00 0.43 0.00 0.00 52.55 52.27 1snl s ASP 58 Cb -0.09 -0.16 0.00 0.00 -0.30 0.00 0.00 42.92 42.38 1snl s ASP 58 CO -0.09 -0.10 0.00 0.23 -0.17 0.00 0.00 175.17 175.04 1snl n MET 59 N -0.14 0.00 -0.05 4.34 2.81 -1.26 -4.74 117.12 118.08 1snl n MET 59 Ca -0.10 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 55.79 1snl n MET 59 Cb 0.59 -4.15 -0.00 0.00 -0.71 0.00 0.00 33.22 28.95 1snl n MET 59 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1snl h ARG 60 N 0.25 0.00 0.00 0.03 2.43 -1.99 -0.75 114.38 114.34 1snl h ARG 60 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1snl h ARG 60 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1snl h ARG 60 CO 0.00 0.00 0.27 0.39 -1.51 0.00 0.00 179.97 179.12 1snl n GLU 61 N -4.70 0.00 0.00 0.20 1.02 -1.26 0.11 120.64 116.00 1snl n GLU 61 Ca -0.01 0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1snl n GLU 61 Cb 0.02 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 29.67 1snl n GLU 61 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1snl n MET 62 N -1.17 0.65 0.25 3.49 0.00 -1.23 -4.73 117.12 114.37 1snl n MET 62 Ca 0.00 -0.30 0.05 0.00 0.00 0.00 0.00 57.70 57.45 1snl n MET 62 Cb 0.27 -0.78 0.10 0.00 0.00 0.00 0.00 33.22 32.82 1snl n MET 62 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1snl h GLU 63 N 0.00 0.00 0.00 3.17 5.08 0.23 1.74 114.58 124.80 1snl h GLU 63 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1snl h GLU 63 Cb 0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1snl h GLU 63 CO 0.00 0.00 -0.09 0.93 -1.00 0.00 0.00 179.01 178.85 1snl h GLU 64 N 0.00 0.00 -0.27 2.33 5.08 -1.85 -2.75 114.58 117.12 1snl h GLU 64 Ca 0.08 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 1snl h GLU 64 Cb 2.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.33 1snl h GLU 64 CO -0.00 0.09 -0.27 1.49 -1.00 0.00 0.00 179.01 179.31 1snl h GLU 65 N 0.00 0.66 -0.47 2.33 4.57 0.23 -2.48 114.58 119.42 1snl h GLU 65 Ca -0.00 -0.35 0.05 0.00 -1.18 0.00 0.00 59.36 57.88 1snl h GLU 65 Cb 0.33 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.89 1snl h GLU 65 CO 0.01 0.96 0.20 0.00 -1.18 0.00 0.00 179.01 179.00 1snl h ARG 66 N 0.38 0.38 0.00 1.92 3.08 -1.64 -1.01 114.38 117.50 1snl h ARG 66 Ca 0.04 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 1snl h ARG 66 Cb 0.84 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 1snl h ARG 66 CO 0.07 0.25 -0.30 -0.07 -1.07 0.00 0.00 179.97 178.85 1snl h LEU 67 N 0.39 0.00 -0.54 3.04 3.38 -1.58 -0.41 115.31 119.59 1snl h LEU 67 Ca 0.22 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 1snl h LEU 67 Cb 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1snl h LEU 67 CO -0.19 0.30 0.15 0.03 0.09 0.00 0.00 178.44 178.82 1snl h ARG 68 N 0.00 0.86 0.00 1.13 2.47 -0.71 -0.77 114.38 117.36 1snl h ARG 68 Ca -0.00 -0.19 -0.10 0.00 -1.26 0.00 0.00 59.98 58.42 1snl h ARG 68 Cb 0.60 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.78 1snl h ARG 68 CO 0.04 0.79 -0.55 0.52 0.56 0.00 0.00 179.97 181.34 1snl h MET 69 N 0.76 0.00 -0.90 0.04 2.86 -1.28 -2.54 114.93 113.86 1snl h MET 69 Ca 0.17 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.92 1snl h MET 69 Cb 0.31 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.90 1snl h MET 69 CO -0.00 0.99 0.58 -0.09 1.06 0.00 0.00 176.91 179.45 1snl h ARG 70 N -1.00 0.82 0.00 1.72 2.43 -1.15 -0.93 114.38 116.28 1snl h ARG 70 Ca -0.15 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 58.93 1snl h ARG 70 Cb 1.12 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 1snl h ARG 70 CO -0.09 0.55 -0.25 0.93 -1.51 0.00 0.00 179.97 179.60 1snl h GLU 71 N 0.85 0.00 -0.90 0.20 5.08 -1.27 -2.67 114.58 115.87 1snl h GLU 71 Ca 0.43 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.94 1snl h GLU 71 Cb 0.49 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.67 1snl h GLU 71 CO -0.19 0.82 0.58 1.25 -1.00 0.00 0.00 179.01 180.46 1snl h HIS 72 N -1.00 0.83 0.10 4.33 2.76 -1.36 0.63 115.15 121.44 1snl h HIS 72 Ca -0.06 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.13 1snl h HIS 72 Cb 0.89 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.59 1snl h HIS 72 CO 0.19 0.30 -0.05 0.28 -1.30 0.00 0.00 177.93 177.35 1snl h VAL 73 N 0.69 0.96 0.00 5.26 2.07 -1.29 -2.63 116.25 121.32 1snl h VAL 73 Ca 0.46 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1snl h VAL 73 Cb 0.74 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1snl h VAL 73 CO -0.21 0.28 0.00 0.23 0.02 0.00 0.00 177.57 177.88 1snl n MET 74 N -4.84 0.13 0.02 1.57 2.00 -0.99 -0.24 117.12 114.78 1snl n MET 74 Ca -0.07 0.48 -0.20 0.00 0.00 0.00 0.00 57.70 57.90 1snl n MET 74 Cb 0.27 -1.82 -0.14 0.00 0.00 0.00 0.00 33.22 31.54 1snl n MET 74 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1snl h LYS 75 N 0.00 0.26 0.00 0.03 3.64 0.26 -3.29 116.57 117.47 1snl h LYS 75 Ca 0.00 -0.45 -0.08 0.00 -1.27 0.00 0.00 60.65 58.85 1snl h LYS 75 Cb 0.20 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1snl h LYS 75 CO 0.00 1.16 -1.95 0.27 -2.27 0.00 0.00 179.45 176.66 1snl n ASN 76 N -3.46 0.66 -0.06 4.20 2.04 -0.99 -4.57 115.26 113.09 1snl n ASN 76 Ca -0.29 0.00 -0.14 0.00 -0.44 0.00 0.00 54.58 53.71 1snl n ASN 76 Cb 1.05 1.63 -0.14 0.00 -2.53 0.00 0.00 39.78 39.79 1snl n ASN 76 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34 1snl n VAL 77 N -2.28 1.58 -1.50 3.53 0.31 0.67 -4.82 118.33 115.81 1snl n VAL 77 Ca -0.10 -0.73 -0.41 0.00 -0.01 0.00 0.00 64.34 63.09 1snl n VAL 77 Cb 0.64 -1.15 -0.10 0.00 -0.91 0.00 0.00 33.84 32.32 1snl n VAL 77 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1snl n ASP 78 N -3.13 1.28 0.03 4.52 5.75 -1.22 -4.79 116.55 118.99 1snl n ASP 78 Ca -0.31 -0.02 -0.02 0.00 -0.01 0.00 0.00 54.79 54.43 1snl n ASP 78 Cb 1.06 -1.21 -0.01 0.00 -1.03 0.00 0.00 41.12 39.94 1snl n ASP 78 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1snl h THR 79 N 7.74 0.00 -0.59 2.12 1.03 -1.88 -3.37 112.91 117.95 1snl h THR 79 Ca -0.15 -0.37 -0.22 0.00 -0.01 0.00 0.00 66.41 65.67 1snl h THR 79 Cb 1.30 0.00 -0.13 0.00 -1.07 0.00 0.00 68.15 68.25 1snl h THR 79 CO 1.25 0.00 0.20 -3.20 -0.01 0.00 0.00 175.52 173.75 1snl n ASN 80 N -3.34 3.89 -2.15 0.00 4.05 -1.26 -4.92 115.26 111.54 1snl n ASN 80 Ca -0.01 -3.39 0.00 0.00 0.45 0.00 0.00 54.58 51.63 1snl n ASN 80 Cb 0.05 -0.70 0.00 0.00 1.23 0.00 0.00 39.78 40.36 1snl n ASN 80 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1snl n GLN 81 N -0.63 -2.60 -0.11 1.20 1.13 -1.26 -4.64 117.38 110.48 1snl n GLN 81 Ca 0.38 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 55.47 1snl n GLN 81 Cb 1.26 -3.98 0.07 0.00 0.11 0.00 0.00 30.24 27.70 1snl n GLN 81 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1snl n ASP 82 N -1.12 1.14 0.00 1.08 5.75 -1.26 -4.79 116.55 117.35 1snl n ASP 82 Ca 0.00 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.73 1snl n ASP 82 Cb 0.40 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 1snl n ASP 82 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1snl n ARG 83 N -0.01 0.00 -5.11 0.11 5.12 -1.26 -4.90 116.66 110.61 1snl n ARG 83 Ca 0.05 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.67 1snl n ARG 83 Cb 0.22 -3.79 -0.16 0.00 -1.16 0.00 0.00 32.46 27.57 1snl n ARG 83 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1snl s LEU 84 N 0.00 2.01 -0.12 0.55 1.02 -1.26 -3.77 118.68 117.11 1snl s LEU 84 Ca 0.00 -0.46 0.00 0.00 0.02 0.00 0.00 54.13 53.69 1snl s LEU 84 Cb 0.00 -1.24 -0.02 0.00 0.02 0.00 0.00 46.19 44.95 1snl s LEU 84 CO 0.00 0.20 -0.13 -0.69 0.02 0.00 0.00 176.35 175.76 1snl s VAL 85 N -0.03 3.12 0.36 -1.59 1.01 -1.11 -4.76 120.40 117.40 1snl s VAL 85 Ca -0.06 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.34 1snl s VAL 85 Cb -0.14 -2.30 -0.00 0.00 0.00 0.00 0.00 36.38 33.94 1snl s VAL 85 CO 0.04 0.53 0.50 0.42 0.00 0.00 0.00 175.10 176.59 1snl s THR 86 N 0.16 3.86 0.24 3.92 -4.23 -1.26 -2.54 115.64 115.79 1snl s THR 86 Ca -0.07 -0.97 -0.02 0.00 -1.18 0.00 0.00 61.69 59.45 1snl s THR 86 Cb -0.15 -3.33 0.05 0.00 1.34 0.00 0.00 72.50 70.41 1snl s THR 86 CO 0.05 -0.13 1.67 0.25 -0.54 0.00 0.00 174.62 175.91 1snl h LEU 87 N 0.81 0.71 0.16 4.79 5.85 -1.99 -1.78 115.31 123.86 1snl h LEU 87 Ca -0.45 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.03 1snl h LEU 87 Cb 1.26 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 1snl h LEU 87 CO 0.51 0.91 -0.12 -0.33 -0.34 0.00 0.00 178.44 179.07 1snl h GLU 88 N 0.63 -0.26 -0.66 1.25 3.07 -1.94 -1.91 114.58 114.75 1snl h GLU 88 Ca 0.09 0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.93 1snl h GLU 88 Cb 0.68 0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.62 1snl h GLU 88 CO 0.05 -0.17 0.26 0.93 -1.40 0.00 0.00 179.01 178.68 1snl h GLU 89 N -0.27 0.98 -0.06 2.33 4.39 -1.98 -3.01 114.58 116.95 1snl h GLU 89 Ca -0.02 -0.16 0.02 0.00 0.34 0.00 0.00 59.36 59.54 1snl h GLU 89 Cb 0.22 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 1snl h GLU 89 CO 0.01 0.80 -0.08 0.35 -1.16 0.00 0.00 179.01 178.92 1snl h PHE 90 N 0.96 -0.20 -0.61 4.33 3.57 -1.27 -1.81 116.94 121.91 1snl h PHE 90 Ca 0.22 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.86 1snl h PHE 90 Cb 0.19 0.10 -0.10 0.00 2.79 0.00 0.00 35.95 38.93 1snl h PHE 90 CO 0.01 -0.13 0.04 -0.07 -2.23 0.00 0.00 178.31 175.94 1snl h LEU 91 N -0.11 -0.19 0.09 0.59 3.38 -1.22 -1.81 115.31 116.05 1snl h LEU 91 Ca 0.05 0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.18 1snl h LEU 91 Cb 0.19 0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1snl h LEU 91 CO -0.13 -0.08 -0.52 0.00 0.09 0.00 0.00 178.44 177.80 1snl h ALA 92 N 1.54 -0.95 -0.87 1.53 0.00 -1.26 0.18 119.26 119.43 1snl h ALA 92 Ca 0.32 -0.10 0.25 0.00 0.00 0.00 0.00 54.91 55.38 1snl h ALA 92 Cb 0.51 0.89 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 1snl h ALA 92 CO -0.49 -1.11 0.92 1.03 0.00 0.00 0.00 179.25 179.61 1snl h SER 93 N -0.73 0.00 0.01 0.00 0.87 -0.81 1.96 113.55 114.86 1snl h SER 93 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1snl h SER 93 Cb 0.75 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 1snl h SER 93 CO -0.30 0.00 -0.26 0.35 -0.53 0.00 0.00 176.83 176.09 1snl n THR 94 N -3.51 0.00 -0.73 2.23 -2.24 0.50 -4.36 114.28 106.18 1snl n THR 94 Ca 0.19 -0.31 -0.12 0.00 -2.27 0.00 0.00 64.05 61.53 1snl n THR 94 Cb 1.21 1.15 -0.10 0.00 -2.10 0.00 0.00 70.33 70.49 1snl n THR 94 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1snl n GLN 95 N 0.33 1.60 0.00 -0.78 6.02 0.67 -2.61 117.38 122.61 1snl n GLN 95 Ca 0.12 -0.88 0.00 0.00 -0.01 0.00 0.00 57.00 56.23 1snl n GLN 95 Cb 0.48 -1.98 0.00 0.00 1.02 0.00 0.00 30.24 29.76 1snl n GLN 95 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1snl n ARG 96 N 2.94 0.00 0.00 -1.09 3.00 -1.26 -4.94 116.66 115.31 1snl n ARG 96 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.19 1snl n ARG 96 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.99 1snl n ARG 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1snl n LYS 97 N 0.00 0.00 -1.62 -0.14 3.00 -1.07 -4.49 118.16 113.84 1snl n LYS 97 Ca 0.00 0.09 -0.15 0.00 -0.00 0.00 0.00 58.31 58.25 1snl n LYS 97 Cb 0.00 -1.50 -0.07 0.00 0.00 0.00 0.00 35.03 33.46 1snl n LYS 97 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1snl s GLU 98 N -2.17 1.67 0.00 1.64 0.41 -1.26 -5.13 118.70 113.87 1snl s GLU 98 Ca 0.00 0.35 0.30 0.00 -0.41 0.00 0.00 54.97 55.21 1snl s GLU 98 Cb 0.00 -4.83 1.81 0.00 -1.78 0.00 0.00 34.13 29.33 1snl s GLU 98 CO 0.00 -4.42 2.14 0.34 -0.49 0.00 0.00 175.26 172.83