#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsa n LYS 2 N 0.00 0.00 0.00 2.12 0.00 -1.26 -4.71 118.16 114.31 1vsa n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1vsa n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1vsa n LYS 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1vsa n ARG 3 N 0.00 0.00 0.00 -1.58 1.74 -1.26 -4.74 116.66 110.82 1vsa n ARG 3 Ca 0.00 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 1vsa n ARG 3 Cb 0.00 -0.26 0.00 0.00 -1.02 0.00 0.00 32.46 31.18 1vsa n ARG 3 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1vsa n THR 4 N -0.35 0.00 -2.45 0.55 -2.24 -1.26 -5.08 114.28 103.45 1vsa n THR 4 Ca 0.00 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 1vsa n THR 4 Cb 0.00 -0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.01 1vsa n THR 4 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1vsa s TRP 5 N -1.45 2.89 -0.42 4.78 -0.11 -1.26 -5.01 118.94 118.36 1vsa s TRP 5 Ca 0.00 1.05 0.04 0.00 1.22 0.00 0.00 56.10 58.41 1vsa s TRP 5 Cb 0.00 -3.52 0.11 0.00 -1.50 0.00 0.00 33.47 28.56 1vsa s TRP 5 CO 0.00 -1.55 0.14 -0.65 -4.62 0.00 0.00 176.95 170.27 1vsa s GLN 6 N 3.54 1.64 -0.51 5.86 -1.52 -1.26 -5.05 119.66 122.35 1vsa s GLN 6 Ca 0.53 -2.15 -0.05 0.00 -1.95 0.00 0.00 55.36 51.75 1vsa s GLN 6 Cb -0.20 -3.16 -0.17 0.00 -0.22 0.00 0.00 33.01 29.25 1vsa s GLN 6 CO 0.14 -1.02 1.25 -2.30 -0.25 0.00 0.00 175.29 173.12 1vsa n PRO 7 N 3.79 0.00 -4.01 2.91 -0.02 -1.26 -4.91 135.00 131.50 1vsa n PRO 7 Ca 0.04 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.18 1vsa n PRO 7 Cb 0.38 -0.67 -0.15 0.00 -0.02 0.00 0.00 33.50 33.04 1vsa n PRO 7 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1vsa s ASN 8 N 0.00 3.79 0.00 2.55 3.04 -1.26 -5.09 114.94 117.97 1vsa s ASN 8 Ca 0.67 -0.59 0.00 0.00 0.04 0.00 0.00 52.86 52.98 1vsa s ASN 8 Cb -0.43 -1.61 0.00 0.00 -1.54 0.00 0.00 41.25 37.67 1vsa s ASN 8 CO 0.29 -0.03 0.00 0.54 -3.04 0.00 0.00 177.10 174.86 1vsa n ARG 9 N 4.70 0.00 -0.15 0.43 1.74 -1.26 -3.15 116.66 118.96 1vsa n ARG 9 Ca -0.19 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 56.92 1vsa n ARG 9 Cb 0.50 -0.07 0.07 0.00 -1.02 0.00 0.00 32.46 31.94 1vsa n ARG 9 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1vsa n ARG 10 N 0.00 -0.04 -0.25 5.56 1.85 -1.26 -1.41 116.66 121.11 1vsa n ARG 10 Ca 0.00 0.66 -0.10 0.00 -1.00 0.00 0.00 57.85 57.41 1vsa n ARG 10 Cb 0.00 -0.99 -0.08 0.00 -1.05 0.00 0.00 32.46 30.33 1vsa n ARG 10 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 1vsa h LYS 11 N 0.00 -0.13 -0.58 2.89 1.63 -2.01 0.72 116.57 119.10 1vsa h LYS 11 Ca 0.21 0.01 0.10 0.00 -0.85 0.00 0.00 60.65 60.12 1vsa h LYS 11 Cb 0.35 0.03 -0.11 0.00 -0.60 0.00 0.00 32.23 31.90 1vsa h LYS 11 CO -0.43 -0.08 -0.37 -0.09 -3.45 0.00 0.00 179.45 175.02 1vsa h ARG 12 N -0.13 -0.19 0.00 1.90 2.43 -1.18 0.64 114.38 117.84 1vsa h ARG 12 Ca 0.10 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1vsa h ARG 12 Cb 0.40 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1vsa h ARG 12 CO -0.66 -0.12 0.44 0.00 -1.51 0.00 0.00 179.97 178.12 1vsa n ALA 13 N -3.15 0.33 -0.13 2.80 0.00 0.25 -0.30 120.51 120.31 1vsa n ALA 13 Ca 0.03 0.04 -0.19 0.00 0.00 0.00 0.00 53.44 53.32 1vsa n ALA 13 Cb 0.35 -0.38 -0.11 0.00 0.00 0.00 0.00 19.45 19.31 1vsa n ALA 13 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1vsa n LYS 14 N -1.60 0.61 0.16 0.00 4.01 0.21 -2.81 118.16 118.75 1vsa n LYS 14 Ca -0.00 0.16 0.13 0.00 -0.51 0.00 0.00 58.31 58.09 1vsa n LYS 14 Cb 0.45 -1.49 0.34 0.00 -0.51 0.00 0.00 35.03 33.81 1vsa n LYS 14 CO 0.00 0.00 0.00 1.15 -1.11 0.00 0.00 177.40 177.44 1vsa h THR 15 N -0.15 0.00 0.00 -0.18 2.02 0.19 -3.31 112.91 111.47 1vsa h THR 15 Ca -0.58 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 65.93 1vsa h THR 15 Cb 1.82 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.88 1vsa h THR 15 CO -0.14 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.16 1vsa n HIS 16 N -2.65 -1.19 -0.53 3.16 8.25 0.42 -4.72 115.22 117.96 1vsa n HIS 16 Ca 0.04 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.32 1vsa n HIS 16 Cb 0.45 0.44 0.01 0.00 1.12 0.00 0.00 29.99 32.01 1vsa n HIS 16 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1vsa n GLY 17 N -0.12 -2.05 0.00 -1.41 0.00 -0.82 -3.43 105.19 97.36 1vsa n GLY 17 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1vsa n GLY 17 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1vsa n PHE 18 N -1.06 0.00 -0.15 1.61 7.35 -1.26 -2.19 117.46 121.76 1vsa n PHE 18 Ca 0.01 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.67 1vsa n PHE 18 Cb 0.26 0.00 0.05 0.00 0.35 0.00 0.00 39.48 40.14 1vsa n PHE 18 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1vsa h ARG 19 N 0.00 0.07 0.00 -4.13 3.08 -1.86 0.19 114.38 111.73 1vsa h ARG 19 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1vsa h ARG 19 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1vsa h ARG 19 CO 0.00 0.04 0.00 0.00 -1.07 0.00 0.00 179.97 178.94 1vsa n ALA 20 N -2.71 0.00 0.02 0.04 0.00 -0.93 -0.85 120.51 116.07 1vsa n ALA 20 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.30 1vsa n ALA 20 Cb 0.26 0.17 -0.10 0.00 0.00 0.00 0.00 19.45 19.78 1vsa n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vsa h ARG 21 N 0.00 0.63 0.00 0.00 3.08 -1.34 -3.33 114.38 113.42 1vsa h ARG 21 Ca 0.00 -0.65 0.00 0.00 0.07 0.00 0.00 59.98 59.40 1vsa h ARG 21 Cb 0.00 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1vsa h ARG 21 CO 0.00 1.25 0.00 -0.12 -1.07 0.00 0.00 179.97 180.03 1vsa n MET 22 N -3.98 0.00 -3.18 0.04 1.56 0.05 -2.98 117.12 108.62 1vsa n MET 22 Ca -0.10 0.00 -0.20 0.00 -0.27 0.00 0.00 57.70 57.13 1vsa n MET 22 Cb 0.80 -0.61 -0.04 0.00 2.15 0.00 0.00 33.22 35.52 1vsa n MET 22 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 1vsa n ARG 23 N 0.01 0.87 -3.64 2.12 1.74 -1.16 -4.91 116.66 111.69 1vsa n ARG 23 Ca 0.00 -3.30 -0.05 0.00 -0.77 0.00 0.00 57.85 53.73 1vsa n ARG 23 Cb 0.00 -1.52 -0.07 0.00 -1.02 0.00 0.00 32.46 29.85 1vsa n ARG 23 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1vsa s THR 24 N -1.92 0.00 0.45 0.55 -1.32 -1.16 -4.95 115.64 107.29 1vsa s THR 24 Ca 0.38 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 61.01 1vsa s THR 24 Cb 0.28 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 70.47 1vsa s THR 24 CO -0.09 0.00 2.01 1.55 -2.21 0.00 0.00 174.62 175.88 1vsa h PRO 25 N 3.97 0.00 0.00 7.08 0.13 -1.95 0.57 132.00 141.80 1vsa h PRO 25 Ca -0.28 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 1vsa h PRO 25 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1vsa h PRO 25 CO 0.15 0.16 -0.12 0.78 -0.23 0.00 0.00 178.00 178.74 1vsa h GLY 26 N 0.51 0.00 0.99 1.56 0.00 -1.98 -2.98 103.07 101.17 1vsa h GLY 26 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1vsa h GLY 26 CO 0.02 0.00 0.12 -1.33 0.00 0.00 0.00 176.54 175.36 1vsa h GLY 27 N -1.00 0.27 1.51 4.60 0.00 -1.87 -0.58 103.07 106.00 1vsa h GLY 27 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1vsa h GLY 27 CO -0.02 0.10 0.00 0.54 0.00 0.00 0.00 176.54 177.17 1vsa n ARG 28 N -4.95 0.23 -0.04 4.80 1.74 0.20 -1.46 116.66 117.18 1vsa n ARG 28 Ca -0.03 0.13 -0.14 0.00 -0.77 0.00 0.00 57.85 57.04 1vsa n ARG 28 Cb 0.03 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 29.89 1vsa n ARG 28 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1vsa h LYS 29 N 0.00 0.30 -0.96 5.56 3.11 -0.93 -2.63 116.57 121.01 1vsa h LYS 29 Ca 0.00 -0.19 0.13 0.00 -2.81 0.00 0.00 60.65 57.78 1vsa h LYS 29 Cb 0.12 0.02 -0.09 0.00 -1.00 0.00 0.00 32.23 31.29 1vsa h LYS 29 CO 0.00 0.78 0.58 0.28 -2.81 0.00 0.00 179.45 178.28 1vsa h VAL 30 N -0.15 0.86 0.00 2.00 2.07 -1.13 -3.06 116.25 116.84 1vsa h VAL 30 Ca 0.01 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1vsa h VAL 30 Cb 0.76 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1vsa h VAL 30 CO 0.04 0.16 0.00 0.18 0.02 0.00 0.00 177.57 177.97 1vsa n LEU 31 N -4.69 0.00 -0.38 2.57 7.99 -1.00 0.10 117.00 121.60 1vsa n LEU 31 Ca 0.19 0.56 0.29 0.00 -0.01 0.00 0.00 56.01 57.04 1vsa n LEU 31 Cb 0.39 -0.06 0.56 0.00 -0.11 0.00 0.00 43.42 44.20 1vsa n LEU 31 CO 0.26 -0.06 1.20 0.50 -1.51 0.00 0.00 177.39 177.77 1vsa h LYS 32 N 0.00 0.23 0.00 3.23 3.64 -1.60 0.78 116.57 122.85 1vsa h LYS 32 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1vsa h LYS 32 Cb 0.00 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1vsa h LYS 32 CO 0.00 0.15 0.00 0.54 -2.27 0.00 0.00 179.45 177.87 1vsa n ARG 33 N -4.77 0.00 -0.28 1.90 1.74 0.91 0.78 116.66 116.93 1vsa n ARG 33 Ca 0.32 0.21 0.11 0.00 -0.77 0.00 0.00 57.85 57.72 1vsa n ARG 33 Cb 1.14 -1.08 0.26 0.00 -1.02 0.00 0.00 32.46 31.76 1vsa n ARG 33 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vsa h ARG 34 N 0.00 0.27 0.37 5.56 2.47 0.21 0.29 114.38 123.55 1vsa h ARG 34 Ca 0.00 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.69 1vsa h ARG 34 Cb 0.00 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 1vsa h ARG 34 CO 0.00 0.18 -0.29 -0.09 0.56 0.00 0.00 179.97 180.33 1vsa h ARG 35 N 0.28 -0.62 -0.31 0.04 2.43 0.63 -2.86 114.38 113.96 1vsa h ARG 35 Ca 0.51 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.72 1vsa h ARG 35 Cb 0.96 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1vsa h ARG 35 CO -0.58 -0.41 0.00 1.04 -1.51 0.00 0.00 179.97 178.51 1vsa n GLN 36 N -4.14 1.60 -0.07 0.20 6.02 0.23 -3.91 117.38 117.32 1vsa n GLN 36 Ca -0.08 -0.82 -0.10 0.00 -0.01 0.00 0.00 57.00 56.00 1vsa n GLN 36 Cb 0.28 -1.25 -0.08 0.00 1.02 0.00 0.00 30.24 30.21 1vsa n GLN 36 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1vsa h LYS 37 N 1.28 0.00 0.00 -1.09 3.64 -0.70 -3.49 116.57 116.21 1vsa h LYS 37 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1vsa h LYS 37 Cb 0.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1vsa h LYS 37 CO 0.02 0.64 0.00 0.41 -2.27 0.00 0.00 179.45 178.25 1vsa n GLY 38 N 1.66 0.70 3.76 5.01 0.00 -1.19 -5.09 105.19 110.03 1vsa n GLY 38 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 1vsa n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vsa s ARG 39 N 0.00 3.04 -0.17 1.61 3.00 -1.24 -4.98 118.95 120.21 1vsa s ARG 39 Ca 0.00 1.71 -0.25 0.00 0.00 0.00 0.00 55.73 57.19 1vsa s ARG 39 Cb 0.00 -1.95 -0.22 0.00 0.00 0.00 0.00 34.95 32.77 1vsa s ARG 39 CO 0.00 -1.12 0.49 -1.49 0.00 0.00 0.00 175.30 173.18 1vsa h TRP 40 N 0.86 0.00 -0.20 -0.53 6.55 -1.96 -3.42 115.95 117.25 1vsa h TRP 40 Ca -0.50 0.00 -0.57 0.00 0.95 0.00 0.00 58.89 58.77 1vsa h TRP 40 Cb 1.28 0.00 0.01 0.00 -0.86 0.00 0.00 29.16 29.59 1vsa h TRP 40 CO 0.49 1.23 2.05 0.54 -1.05 0.00 0.00 178.44 181.70 1vsa n ARG 41 N -4.53 1.81 -0.18 0.49 1.74 -1.26 -4.82 116.66 109.92 1vsa n ARG 41 Ca -0.21 -2.21 -0.03 0.00 -0.77 0.00 0.00 57.85 54.63 1vsa n ARG 41 Cb 0.57 -3.23 0.04 0.00 -1.02 0.00 0.00 32.46 28.83 1vsa n ARG 41 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1vsa h LEU 42 N 14.36 -0.62 -6.99 0.55 3.38 -1.92 -3.42 115.31 120.65 1vsa h LEU 42 Ca 0.39 0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.58 1vsa h LEU 42 Cb 0.75 0.38 -0.21 0.00 0.09 0.00 0.00 40.66 41.68 1vsa h LEU 42 CO 1.71 -0.21 -0.04 0.28 0.09 0.00 0.00 178.44 180.27 1vsa s THR 43 N -6.19 -0.47 0.00 0.22 -1.32 -1.26 -4.84 115.64 101.78 1vsa s THR 43 Ca -0.14 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.34 1vsa s THR 43 Cb 0.17 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.16 1vsa s THR 43 CO 0.72 0.00 0.00 -2.65 -2.21 0.00 0.00 174.62 170.48 1vsa n PRO 44 N 4.84 0.00 -0.97 7.08 -0.02 -1.26 -4.65 135.00 140.02 1vsa n PRO 44 Ca -0.16 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 60.99 1vsa n PRO 44 Cb 0.54 0.00 0.14 0.00 -0.02 0.00 0.00 33.50 34.16 1vsa n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vsa n ALA 45 N 0.00 -0.57 -2.55 3.55 0.00 -1.26 -4.44 120.51 115.23 1vsa n ALA 45 Ca 0.00 -0.41 -0.08 0.00 0.00 0.00 0.00 53.44 52.94 1vsa n ALA 45 Cb 0.00 -2.17 -0.10 0.00 0.00 0.00 0.00 19.45 17.18 1vsa n ALA 45 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1vsa s VAL 46 N -2.27 0.16 0.00 0.00 1.01 -1.26 -5.06 120.40 112.97 1vsa s VAL 46 Ca 0.70 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1vsa s VAL 46 Cb -0.27 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.10 1vsa s VAL 46 CO 0.55 -0.72 0.00 -2.11 0.00 0.00 0.00 175.10 172.82 1vsa n ARG 47 N 0.65 1.08 0.00 2.72 1.85 -1.26 -5.17 116.66 116.53 1vsa n ARG 47 Ca -0.18 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.67 1vsa n ARG 47 Cb 0.59 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.00 1vsa n ARG 47 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98