#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yi2 s LYS 2 N 0.00 3.00 0.22 1.61 -0.14 -1.26 -5.09 119.74 118.07 1yi2 s LYS 2 Ca 0.00 -0.94 -0.13 0.00 -1.36 0.00 0.00 55.97 53.54 1yi2 s LYS 2 Cb 0.00 -3.54 -0.08 0.00 -1.68 0.00 0.00 37.83 32.53 1yi2 s LYS 2 CO 0.00 -0.55 0.60 -1.59 -0.76 0.00 0.00 175.35 173.05 1yi2 s LYS 3 N 1.53 3.94 0.71 1.68 -2.85 -1.26 -5.09 119.74 118.40 1yi2 s LYS 3 Ca 0.02 0.48 -0.04 0.00 -1.00 0.00 0.00 55.97 55.43 1yi2 s LYS 3 Cb -0.18 -2.73 0.10 0.00 -2.06 0.00 0.00 37.83 32.96 1yi2 s LYS 3 CO 0.05 0.35 0.99 -1.54 0.10 0.00 0.00 175.35 175.30 1yi2 s SER 4 N -2.06 4.53 0.33 0.03 1.04 -1.26 -4.90 113.70 111.41 1yi2 s SER 4 Ca 0.45 0.02 0.03 0.00 0.48 0.00 0.00 55.95 56.92 1yi2 s SER 4 Cb -0.13 -0.54 0.58 0.00 0.10 0.00 0.00 66.02 66.04 1yi2 s SER 4 CO 0.20 -1.74 1.91 0.50 0.98 0.00 0.00 173.24 175.09 1yi2 h LYS 5 N -0.56 0.67 -0.09 4.02 3.64 -1.99 -1.68 116.57 120.58 1yi2 h LYS 5 Ca -0.41 -0.11 -0.09 0.00 -1.27 0.00 0.00 60.65 58.77 1yi2 h LYS 5 Cb 1.28 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1yi2 h LYS 5 CO 0.48 0.58 -0.31 0.00 -2.27 0.00 0.00 179.45 177.94 1yi2 h ALA 6 N 1.51 0.16 -0.71 5.00 0.00 -2.00 -2.62 119.26 120.59 1yi2 h ALA 6 Ca 0.16 -0.43 0.08 0.00 0.00 0.00 0.00 54.91 54.72 1yi2 h ALA 6 Cb 0.19 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 1yi2 h ALA 6 CO -0.01 0.20 0.37 1.15 0.00 0.00 0.00 179.25 180.96 1yi2 h THR 7 N -0.09 0.89 -0.92 0.00 2.02 -1.91 -1.14 112.91 111.76 1yi2 h THR 7 Ca -0.01 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1yi2 h THR 7 Cb 0.94 0.18 -0.05 0.00 -1.74 0.00 0.00 68.15 67.49 1yi2 h THR 7 CO 0.07 0.12 0.59 0.50 0.37 0.00 0.00 175.52 177.16 1yi2 h LYS 8 N 0.65 1.23 -0.47 6.66 3.64 -1.27 0.21 116.57 127.22 1yi2 h LYS 8 Ca 0.34 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.57 1yi2 h LYS 8 Cb 0.31 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1yi2 h LYS 8 CO -0.24 0.83 0.07 0.87 -2.27 0.00 0.00 179.45 178.71 1yi2 h LYS 9 N 1.26 0.78 -0.46 1.90 1.57 -0.85 -0.37 116.57 120.39 1yi2 h LYS 9 Ca 0.33 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1yi2 h LYS 9 Cb -0.11 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 1yi2 h LYS 9 CO -0.07 0.80 0.22 0.00 -0.57 0.00 0.00 179.45 179.82 1yi2 h ARG 10 N 0.64 0.67 -0.70 3.15 3.08 -0.75 0.68 114.38 121.15 1yi2 h ARG 10 Ca 0.14 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1yi2 h ARG 10 Cb 0.40 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 1yi2 h ARG 10 CO 0.01 0.57 0.41 -0.07 -1.07 0.00 0.00 179.97 179.82 1yi2 h LEU 11 N 0.60 0.86 0.01 3.04 3.38 -0.82 -0.18 115.31 122.19 1yi2 h LEU 11 Ca 0.16 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1yi2 h LEU 11 Cb 0.13 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1yi2 h LEU 11 CO -0.02 0.68 -0.18 0.00 0.09 0.00 0.00 178.44 179.01 1yi2 h ALA 12 N 1.21 -0.23 -0.40 1.53 0.00 -0.49 -0.81 119.26 120.07 1yi2 h ALA 12 Ca 0.25 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.21 1yi2 h ALA 12 Cb -0.00 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1yi2 h ALA 12 CO -0.04 -0.68 0.16 -0.22 0.00 0.00 0.00 179.25 178.46 1yi2 h LYS 13 N -0.30 0.32 -0.96 0.00 3.64 -0.45 -1.53 116.57 117.29 1yi2 h LYS 13 Ca 0.05 -0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.52 1yi2 h LYS 13 Cb 0.37 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.05 1yi2 h LYS 13 CO -0.17 0.21 0.61 -0.07 -2.27 0.00 0.00 179.45 177.76 1yi2 h LEU 14 N 0.33 0.88 -0.60 5.20 3.38 -0.57 0.14 115.31 124.06 1yi2 h LEU 14 Ca 0.18 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.09 1yi2 h LEU 14 Cb 0.15 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1yi2 h LEU 14 CO -0.17 0.50 -0.01 -0.78 0.09 0.00 0.00 178.44 178.07 1yi2 h ASP 15 N 0.96 1.05 -0.35 -0.43 3.58 -0.22 -2.20 116.42 118.81 1yi2 h ASP 15 Ca 0.45 -0.31 -0.08 0.00 0.42 0.00 0.00 57.03 57.52 1yi2 h ASP 15 Cb 0.43 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 1yi2 h ASP 15 CO -0.21 1.10 -0.09 -1.13 -2.88 0.00 0.00 179.24 176.03 1yi2 h ASN 16 N 0.97 0.67 -0.06 2.28 -0.00 -0.26 -2.55 115.58 116.63 1yi2 h ASN 16 Ca 0.17 -0.37 0.02 0.00 -0.00 0.00 0.00 56.30 56.12 1yi2 h ASN 16 Cb 0.57 -0.18 -0.00 0.00 -0.00 0.00 0.00 38.32 38.70 1yi2 h ASN 16 CO 0.03 0.88 0.05 1.56 -0.00 0.00 0.00 177.43 179.96 1yi2 h GLN 17 N 0.46 0.00 -1.06 6.67 4.20 -0.69 -2.55 115.11 122.13 1yi2 h GLN 17 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1yi2 h GLN 17 Cb 0.59 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1yi2 h GLN 17 CO 0.03 0.00 0.00 -1.71 -0.67 0.00 0.00 178.83 176.48 1yi2 n ASN 18 N -4.27 1.81 -4.86 1.46 4.05 -0.84 -4.81 115.26 107.81 1yi2 n ASN 18 Ca -0.02 -1.58 -0.21 0.00 0.45 0.00 0.00 54.58 53.23 1yi2 n ASN 18 Cb 0.15 -0.39 0.05 0.00 1.23 0.00 0.00 39.78 40.82 1yi2 n ASN 18 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1yi2 n SER 19 N 0.43 2.23 -4.98 1.20 3.41 -0.96 -4.87 113.62 110.08 1yi2 n SER 19 Ca 0.00 -2.59 -0.20 0.00 -0.26 0.00 0.00 58.87 55.81 1yi2 n SER 19 Cb 0.33 -0.32 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 1yi2 n SER 19 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1yi2 s ARG 20 N -4.49 2.74 -0.31 4.33 3.52 -1.26 -4.96 118.95 118.52 1yi2 s ARG 20 Ca 0.53 -0.85 -0.29 0.00 -0.13 0.00 0.00 55.73 54.98 1yi2 s ARG 20 Cb -0.04 -2.59 0.01 0.00 -1.56 0.00 0.00 34.95 30.77 1yi2 s ARG 20 CO 0.33 -0.48 1.22 0.08 -0.81 0.00 0.00 175.30 175.64 1yi2 s VAL 21 N -2.59 4.28 0.52 7.11 1.01 -1.26 -4.97 120.40 124.50 1yi2 s VAL 21 Ca 0.54 1.45 -0.20 0.00 0.00 0.00 0.00 61.98 63.77 1yi2 s VAL 21 Cb -0.10 -4.26 -0.09 0.00 0.00 0.00 0.00 36.38 31.93 1yi2 s VAL 21 CO 0.37 -0.48 0.69 -0.81 0.00 0.00 0.00 175.10 174.87 1yi2 n PRO 22 N 7.15 0.74 -0.23 2.72 -0.04 -1.26 -4.87 135.00 139.21 1yi2 n PRO 22 Ca 0.14 0.28 0.10 0.00 -0.04 0.00 0.00 63.50 63.98 1yi2 n PRO 22 Cb 0.47 -1.81 0.37 0.00 -0.04 0.00 0.00 33.50 32.49 1yi2 n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1yi2 h ALA 23 N 0.62 1.80 0.00 0.55 0.00 -2.02 -2.18 119.26 118.03 1yi2 h ALA 23 Ca -0.45 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 1yi2 h ALA 23 Cb 1.38 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1yi2 h ALA 23 CO 0.50 0.01 -0.35 0.11 0.00 0.00 0.00 179.25 179.52 1yi2 h TRP 24 N 0.71 0.00 -0.34 0.00 5.08 -2.01 -2.49 115.95 116.91 1yi2 h TRP 24 Ca 0.39 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 60.30 1yi2 h TRP 24 Cb 0.55 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.70 1yi2 h TRP 24 CO -0.00 0.35 -0.07 0.28 -1.28 0.00 0.00 178.44 177.72 1yi2 h VAL 25 N 0.00 1.22 -0.84 0.12 2.07 -1.74 0.11 116.25 117.20 1yi2 h VAL 25 Ca -0.00 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 1yi2 h VAL 25 Cb 0.64 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 1yi2 h VAL 25 CO 0.05 0.32 0.49 0.24 0.02 0.00 0.00 177.57 178.69 1yi2 h MET 26 N 0.52 1.14 0.02 1.57 2.86 -1.47 -1.36 114.93 118.21 1yi2 h MET 26 Ca 0.10 -0.11 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 1yi2 h MET 26 Cb 0.45 -0.24 0.01 0.00 0.06 0.00 0.00 31.60 31.88 1yi2 h MET 26 CO 0.02 0.81 -0.39 -0.07 1.06 0.00 0.00 176.91 178.35 1yi2 h LEU 27 N 1.16 0.30 -2.76 1.22 3.38 -1.36 0.69 115.31 117.94 1yi2 h LEU 27 Ca 0.30 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1yi2 h LEU 27 Cb -0.03 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1yi2 h LEU 27 CO -0.05 1.09 0.04 0.50 0.09 0.00 0.00 178.44 180.10 1yi2 h LYS 28 N -0.45 0.00 -0.14 1.13 3.64 -0.62 -0.78 116.57 119.35 1yi2 h LYS 28 Ca -0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1yi2 h LYS 28 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1yi2 h LYS 28 CO 0.07 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.50 1yi2 n THR 29 N -3.28 1.55 -3.29 1.00 -2.24 -0.53 -4.97 114.28 102.52 1yi2 n THR 29 Ca -0.03 -1.56 -0.21 0.00 -2.27 0.00 0.00 64.05 59.98 1yi2 n THR 29 Cb 0.11 0.12 -0.01 0.00 -2.10 0.00 0.00 70.33 68.44 1yi2 n THR 29 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1yi2 n ASP 30 N -0.54 -3.13 -1.29 3.42 8.00 -0.30 -5.02 116.55 117.70 1yi2 n ASP 30 Ca 0.12 -0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.31 1yi2 n ASP 30 Cb 0.55 -2.63 0.00 0.00 -0.02 0.00 0.00 41.12 39.02 1yi2 n ASP 30 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1yi2 n ARG 31 N -3.51 -3.66 0.00 -1.24 1.74 0.24 -5.00 116.66 105.22 1yi2 n ARG 31 Ca -0.01 2.69 0.00 0.00 -0.77 0.00 0.00 57.85 59.76 1yi2 n ARG 31 Cb 0.53 -3.00 0.00 0.00 -1.02 0.00 0.00 32.46 28.97 1yi2 n ARG 31 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1yi2 n ARG 35 N -0.45 0.00 -3.28 5.56 1.74 -1.26 -5.02 116.66 113.95 1yi2 n ARG 35 Ca 0.00 0.00 -0.45 0.00 -0.77 0.00 0.00 57.85 56.63 1yi2 n ARG 35 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 1yi2 n ARG 35 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1yi2 s ASN 36 N 0.00 6.18 0.00 0.55 3.84 -1.26 -4.91 114.94 119.34 1yi2 s ASN 36 Ca 0.00 -1.52 0.21 0.00 0.21 0.00 0.00 52.86 51.76 1yi2 s ASN 36 Cb 0.00 -2.23 1.24 0.00 -0.55 0.00 0.00 41.25 39.71 1yi2 s ASN 36 CO 0.00 -0.85 1.65 1.41 -2.79 0.00 0.00 177.10 176.52 1yi2 n HIS 37 N 5.53 0.00 -1.51 0.43 8.25 -1.26 -3.09 115.22 123.57 1yi2 n HIS 37 Ca -0.12 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.30 1yi2 n HIS 37 Cb 0.42 0.00 0.19 0.00 1.12 0.00 0.00 29.99 31.72 1yi2 n HIS 37 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1yi2 n LYS 38 N -0.94 1.88 -2.42 -0.41 5.02 -1.26 -5.01 118.16 115.02 1yi2 n LYS 38 Ca 0.16 -3.27 -0.42 0.00 -2.02 0.00 0.00 58.31 52.76 1yi2 n LYS 38 Cb 0.07 -1.81 -0.03 0.00 -0.02 0.00 0.00 35.03 33.24 1yi2 n LYS 38 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1yi2 s ARG 39 N -3.28 4.38 -0.09 1.97 0.52 -1.18 -4.69 118.95 116.58 1yi2 s ARG 39 Ca 0.44 1.74 0.02 0.00 -0.52 0.00 0.00 55.73 57.41 1yi2 s ARG 39 Cb 0.40 -3.47 0.02 0.00 0.52 0.00 0.00 34.95 32.42 1yi2 s ARG 39 CO -0.01 -0.38 -0.13 0.50 0.02 0.00 0.00 175.30 175.30 1yi2 s ARG 40 N 1.75 1.89 -0.03 3.54 3.52 -1.26 -5.07 118.95 123.28 1yi2 s ARG 40 Ca 0.58 -0.45 -0.13 0.00 -0.13 0.00 0.00 55.73 55.60 1yi2 s ARG 40 Cb -0.27 -1.63 -0.05 0.00 -1.56 0.00 0.00 34.95 31.43 1yi2 s ARG 40 CO 0.25 -0.05 0.33 -1.58 -0.81 0.00 0.00 175.30 173.44 1yi2 s HIS 41 N 0.96 3.69 0.33 5.12 5.65 -1.26 -4.98 115.29 124.80 1yi2 s HIS 41 Ca -0.08 0.87 0.02 0.00 0.25 0.00 0.00 55.06 56.12 1yi2 s HIS 41 Cb -0.15 -2.19 0.60 0.00 -1.18 0.00 0.00 32.58 29.66 1yi2 s HIS 41 CO -0.00 0.67 1.94 0.11 -0.65 0.00 0.00 174.74 176.81 1yi2 h TRP 42 N 4.78 0.92 0.00 3.88 5.08 -2.00 -0.43 115.95 128.18 1yi2 h TRP 42 Ca -0.53 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.47 1yi2 h TRP 42 Cb 1.22 -0.31 0.00 0.00 -3.00 0.00 0.00 29.16 27.08 1yi2 h TRP 42 CO 0.72 0.51 -0.26 -0.09 -1.28 0.00 0.00 178.44 178.04 1yi2 h ARG 43 N 0.93 0.00 0.00 0.12 2.43 -2.05 -3.39 114.38 112.42 1yi2 h ARG 43 Ca 0.34 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.49 1yi2 h ARG 43 Cb 0.15 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1yi2 h ARG 43 CO -0.11 0.00 -0.08 0.00 -1.51 0.00 0.00 179.97 178.27 1yi2 h ARG 44 N -0.94 0.00 -6.06 0.20 2.47 -1.99 -3.44 114.38 104.62 1yi2 h ARG 44 Ca 0.00 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.17 1yi2 h ARG 44 Cb 0.26 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.54 1yi2 h ARG 44 CO 0.00 0.08 -0.31 -0.80 0.56 0.00 0.00 179.97 179.49 1yi2 s ASN 45 N -6.80 4.76 -0.08 7.04 0.01 -0.17 -4.96 114.94 114.74 1yi2 s ASN 45 Ca -0.04 -1.08 -0.03 0.00 -0.71 0.00 0.00 52.86 50.99 1yi2 s ASN 45 Cb 0.16 0.12 0.05 0.00 0.41 0.00 0.00 41.25 41.98 1yi2 s ASN 45 CO 0.65 -0.99 0.16 -0.62 -1.51 0.00 0.00 177.10 174.80 1yi2 s ASP 46 N -4.26 0.56 0.86 -1.22 -1.08 -1.26 -4.75 116.67 105.52 1yi2 s ASP 46 Ca 0.40 0.34 -0.12 0.00 -0.52 0.00 0.00 52.55 52.66 1yi2 s ASP 46 Cb -0.02 0.28 0.14 0.00 -1.46 0.00 0.00 42.92 41.86 1yi2 s ASP 46 CO 0.25 -0.23 1.21 0.42 0.52 0.00 0.00 175.17 177.34 1yi2 s THR 47 N 2.08 2.05 0.81 1.71 -4.23 -1.26 -5.09 115.64 111.72 1yi2 s THR 47 Ca 0.01 -0.10 -0.09 0.00 -1.18 0.00 0.00 61.69 60.33 1yi2 s THR 47 Cb -0.12 -2.95 0.13 0.00 1.34 0.00 0.00 72.50 70.90 1yi2 s THR 47 CO -0.06 0.00 1.14 -1.81 -0.54 0.00 0.00 174.62 173.35 1yi2 s ASP 48 N -4.74 4.02 0.00 3.99 -0.00 -1.26 -5.28 116.67 113.41 1yi2 s ASP 48 Ca 0.68 0.18 0.00 0.00 -0.00 0.00 0.00 52.55 53.41 1yi2 s ASP 48 Cb -0.07 -0.52 0.00 0.00 -0.00 0.00 0.00 42.92 42.34 1yi2 s ASP 48 CO 0.50 -2.12 0.00 -0.62 -0.00 0.00 0.00 175.17 172.93