#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ywi n MET 16 N 0.00 -0.86 -4.19 1.43 0.00 -1.26 -4.81 117.12 107.42 1ywi n MET 16 Ca 0.00 1.00 -0.15 0.00 0.00 0.00 0.00 57.70 58.55 1ywi n MET 16 Cb 0.00 -4.02 -0.11 0.00 0.00 0.00 0.00 33.22 29.09 1ywi n MET 16 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 1ywi s TRP 17 N -3.03 1.15 0.02 2.03 0.52 -1.26 -1.92 118.94 116.44 1ywi s TRP 17 Ca 0.04 -0.63 0.07 0.00 0.02 0.00 0.00 56.10 55.60 1ywi s TRP 17 Cb -0.01 -0.62 -0.03 0.00 -1.15 0.00 0.00 33.47 31.67 1ywi s TRP 17 CO 0.44 0.04 -0.21 0.95 0.02 0.00 0.00 176.95 178.19 1ywi s THR 18 N -2.40 2.52 -0.20 2.01 -4.23 -0.33 -4.93 115.64 108.09 1ywi s THR 18 Ca 0.07 -1.15 -0.07 0.00 -1.18 0.00 0.00 61.69 59.35 1ywi s THR 18 Cb -0.03 -2.00 -0.04 0.00 1.34 0.00 0.00 72.50 71.77 1ywi s THR 18 CO 0.01 0.43 0.06 -0.70 -0.54 0.00 0.00 174.62 173.88 1ywi s GLU 19 N -1.12 3.88 0.18 3.99 2.12 -1.26 -1.65 118.70 124.84 1ywi s GLU 19 Ca 0.12 -0.38 -0.08 0.00 0.36 0.00 0.00 54.97 54.99 1ywi s GLU 19 Cb -0.10 -3.24 -0.01 0.00 0.26 0.00 0.00 34.13 31.04 1ywi s GLU 19 CO 0.02 0.15 0.29 -1.01 -0.54 0.00 0.00 175.26 174.17 1ywi s HIS 20 N 0.70 0.51 -0.32 5.30 3.76 -0.61 -5.02 115.29 119.61 1ywi s HIS 20 Ca 0.03 -0.85 -0.02 0.00 -0.15 0.00 0.00 55.06 54.07 1ywi s HIS 20 Cb -0.13 -0.10 0.06 0.00 1.11 0.00 0.00 32.58 33.52 1ywi s HIS 20 CO 0.02 -0.75 0.03 0.21 -0.85 0.00 0.00 174.74 173.40 1ywi s LYS 21 N -4.00 2.34 0.29 1.40 2.20 -1.26 -0.92 119.74 119.78 1ywi s LYS 21 Ca 0.21 -1.36 -0.28 0.00 -0.36 0.00 0.00 55.97 54.18 1ywi s LYS 21 Cb 0.03 -3.24 -0.14 0.00 -1.51 0.00 0.00 37.83 32.97 1ywi s LYS 21 CO 0.03 -0.69 1.01 0.45 -0.36 0.00 0.00 175.35 175.79 1ywi n SER 22 N 4.61 1.30 0.32 1.43 2.88 0.43 -4.79 113.62 119.79 1ywi n SER 22 Ca -0.11 1.18 0.22 0.00 -1.33 0.00 0.00 58.87 58.83 1ywi n SER 22 Cb 0.43 -1.29 1.17 0.00 -0.75 0.00 0.00 64.21 63.78 1ywi n SER 22 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1ywi h PRO 23 N 1.99 0.00 -0.01 -1.46 0.11 -1.99 0.36 132.00 131.00 1ywi h PRO 23 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1ywi h PRO 23 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1ywi h PRO 23 CO 0.61 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.15 1ywi n ASP 24 N -3.01 0.06 -0.20 -2.05 9.92 -1.26 -4.82 116.55 115.19 1ywi n ASP 24 Ca -0.03 -1.98 0.00 0.00 -0.53 0.00 0.00 54.79 52.26 1ywi n ASP 24 Cb 0.07 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.54 1ywi n ASP 24 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ywi n GLY 25 N 0.53 0.75 3.50 0.44 0.00 0.06 -5.08 105.19 105.40 1ywi n GLY 25 Ca 0.01 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 45.09 1ywi n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ywi s ARG 26 N -3.99 1.73 -0.39 1.61 1.81 -0.85 -4.96 118.95 113.91 1ywi s ARG 26 Ca 0.00 -1.90 -0.06 0.00 -1.72 0.00 0.00 55.73 52.04 1ywi s ARG 26 Cb 0.00 -1.42 0.08 0.00 -0.45 0.00 0.00 34.95 33.15 1ywi s ARG 26 CO 0.00 0.05 0.20 0.99 -0.68 0.00 0.00 175.30 175.86 1ywi s THR 27 N -2.83 3.80 0.31 0.02 2.01 -1.26 0.16 115.64 117.85 1ywi s THR 27 Ca 0.32 -1.53 0.08 0.00 0.31 0.00 0.00 61.69 60.87 1ywi s THR 27 Cb 0.04 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 1ywi s THR 27 CO 0.15 -0.47 0.15 -0.72 -0.69 0.00 0.00 174.62 173.03 1ywi s TYR 28 N 1.33 2.81 0.01 4.92 1.13 -0.10 -4.31 117.35 123.14 1ywi s TYR 28 Ca 0.03 -0.29 0.04 0.00 -1.41 0.00 0.00 57.07 55.44 1ywi s TYR 28 Cb -0.22 -1.53 -0.01 0.00 -1.10 0.00 0.00 41.96 39.09 1ywi s TYR 28 CO 0.00 0.40 -0.11 0.71 -2.51 0.00 0.00 175.55 174.04 1ywi s TYR 29 N -2.33 0.99 -0.21 -3.49 1.51 -0.79 -1.57 117.35 111.46 1ywi s TYR 29 Ca 0.36 -0.25 -0.02 0.00 -1.01 0.00 0.00 57.07 56.15 1ywi s TYR 29 Cb -0.05 -0.62 0.00 0.00 -0.11 0.00 0.00 41.96 41.19 1ywi s TYR 29 CO 0.23 -0.01 -0.09 -0.47 -1.11 0.00 0.00 175.55 174.10 1ywi s TYR 30 N -0.50 2.92 -0.02 2.71 6.14 -0.66 -0.66 117.35 127.29 1ywi s TYR 30 Ca 0.02 -1.23 -0.30 0.00 0.64 0.00 0.00 57.07 56.20 1ywi s TYR 30 Cb -0.06 -2.05 -0.04 0.00 0.42 0.00 0.00 41.96 40.24 1ywi s TYR 30 CO 0.00 -0.65 1.27 1.21 0.64 0.00 0.00 175.55 178.03 1ywi s ASN 31 N 1.40 6.98 0.00 4.32 3.84 0.92 -1.18 114.94 131.22 1ywi s ASN 31 Ca 0.05 1.95 0.25 0.00 0.21 0.00 0.00 52.86 55.32 1ywi s ASN 31 Cb -0.14 -2.56 0.50 0.00 -0.55 0.00 0.00 41.25 38.50 1ywi s ASN 31 CO -0.06 -0.62 1.41 1.07 -2.79 0.00 0.00 177.10 176.11 1ywi n THR 32 N 4.53 0.00 0.06 -5.21 5.66 -0.81 -1.62 114.28 116.89 1ywi n THR 32 Ca 0.11 -0.02 -0.03 0.00 -3.05 0.00 0.00 64.05 61.07 1ywi n THR 32 Cb 0.45 0.30 -0.01 0.00 -1.55 0.00 0.00 70.33 69.52 1ywi n THR 32 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1ywi h GLU 33 N 0.15 -0.18 0.00 1.09 4.22 -1.88 -3.34 114.58 114.65 1ywi h GLU 33 Ca 0.00 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.45 1ywi h GLU 33 Cb 0.50 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1ywi h GLU 33 CO 0.00 -0.12 -0.07 1.15 -2.18 0.00 0.00 179.01 177.79 1ywi h THR 34 N -0.46 0.00 -3.88 0.32 2.02 -1.94 -3.48 112.91 105.50 1ywi h THR 34 Ca -0.02 -0.82 -0.05 0.00 0.77 0.00 0.00 66.41 66.28 1ywi h THR 34 Cb 0.14 1.79 0.04 0.00 -1.74 0.00 0.00 68.15 68.38 1ywi h THR 34 CO 0.03 0.00 -0.18 0.29 0.37 0.00 0.00 175.52 176.03 1ywi n LYS 35 N -2.79 -0.68 -3.97 6.66 5.02 -0.95 -5.08 118.16 116.38 1ywi n LYS 35 Ca 0.04 0.54 -0.10 0.00 -2.02 0.00 0.00 58.31 56.78 1ywi n LYS 35 Cb 0.50 -3.06 -0.07 0.00 -0.02 0.00 0.00 35.03 32.37 1ywi n LYS 35 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1ywi s GLN 36 N -3.29 1.17 -0.04 1.97 -2.07 -0.64 -5.01 119.66 111.75 1ywi s GLN 36 Ca 0.10 -1.19 -0.02 0.00 -1.82 0.00 0.00 55.36 52.43 1ywi s GLN 36 Cb -0.01 0.38 -0.04 0.00 -1.09 0.00 0.00 33.01 32.25 1ywi s GLN 36 CO 0.27 -0.43 0.08 -1.12 -1.32 0.00 0.00 175.29 172.77 1ywi s SER 37 N -2.97 5.78 0.07 12.60 0.01 -1.26 -0.05 113.70 127.87 1ywi s SER 37 Ca 0.18 0.22 -0.05 0.00 1.31 0.00 0.00 55.95 57.61 1ywi s SER 37 Cb 0.03 -1.71 -0.02 0.00 0.21 0.00 0.00 66.02 64.53 1ywi s SER 37 CO 0.01 0.32 0.08 0.28 0.41 0.00 0.00 173.24 174.34 1ywi s THR 38 N -1.11 0.18 -0.16 1.44 -1.32 0.17 -4.93 115.64 109.91 1ywi s THR 38 Ca 0.20 -1.46 -0.06 0.00 -1.21 0.00 0.00 61.69 59.15 1ywi s THR 38 Cb -0.12 -1.39 -0.04 0.00 -1.51 0.00 0.00 72.50 69.44 1ywi s THR 38 CO 0.10 -0.81 0.06 0.26 -2.21 0.00 0.00 174.62 172.02 1ywi s TRP 39 N -3.81 3.27 0.40 9.09 0.52 -1.26 -1.88 118.94 125.26 1ywi s TRP 39 Ca 0.05 0.12 0.00 0.00 0.02 0.00 0.00 56.10 56.29 1ywi s TRP 39 Cb 0.06 -2.02 0.00 0.00 -1.15 0.00 0.00 33.47 30.36 1ywi s TRP 39 CO -0.10 0.25 0.00 -1.91 0.02 0.00 0.00 176.95 175.21 1ywi n GLU 40 N 3.17 -3.96 -1.79 4.98 2.13 -1.26 -4.92 120.64 118.98 1ywi n GLU 40 Ca -0.17 2.92 -0.34 0.00 0.66 0.00 0.00 57.16 60.23 1ywi n GLU 40 Cb 0.53 -3.27 0.05 0.00 0.27 0.00 0.00 31.44 29.02 1ywi n GLU 40 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1ywi s LYS 41 N -3.63 2.74 0.00 5.31 1.02 -1.26 -4.91 119.74 119.01 1ywi s LYS 41 Ca 0.00 1.59 0.31 0.00 0.02 0.00 0.00 55.97 57.89 1ywi s LYS 41 Cb 0.00 -1.92 1.60 0.00 -0.52 0.00 0.00 37.83 36.99 1ywi s LYS 41 CO 0.00 -1.33 2.06 -0.35 -0.92 0.00 0.00 175.35 174.80