#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yit s LYS 2 N 0.00 2.94 0.26 1.61 -0.14 -1.26 -5.08 119.74 118.08 1yit s LYS 2 Ca 0.00 -1.01 -0.19 0.00 -1.36 0.00 0.00 55.97 53.41 1yit s LYS 2 Cb 0.00 -3.78 -0.09 0.00 -1.68 0.00 0.00 37.83 32.29 1yit s LYS 2 CO 0.00 -0.67 0.75 -1.59 -0.76 0.00 0.00 175.35 173.08 1yit s LYS 3 N 1.60 4.22 0.79 1.68 -2.85 -1.26 -5.08 119.74 118.84 1yit s LYS 3 Ca 0.03 0.86 -0.06 0.00 -1.00 0.00 0.00 55.97 55.80 1yit s LYS 3 Cb -0.19 -2.74 0.14 0.00 -2.06 0.00 0.00 37.83 32.98 1yit s LYS 3 CO 0.08 0.31 1.10 -1.54 0.10 0.00 0.00 175.35 175.39 1yit s SER 4 N -1.82 4.03 0.33 0.03 1.04 -1.26 -4.89 113.70 111.16 1yit s SER 4 Ca 0.47 -0.06 0.09 0.00 0.48 0.00 0.00 55.95 56.93 1yit s SER 4 Cb -0.15 -0.26 0.56 0.00 0.10 0.00 0.00 66.02 66.28 1yit s SER 4 CO 0.20 -2.09 1.75 0.50 0.98 0.00 0.00 173.24 174.58 1yit h LYS 5 N -0.88 0.13 -0.02 4.02 3.64 -1.99 -1.66 116.57 119.82 1yit h LYS 5 Ca -0.40 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 58.81 1yit h LYS 5 Cb 1.26 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.09 1yit h LYS 5 CO 0.42 0.51 -0.44 0.00 -2.27 0.00 0.00 179.45 177.68 1yit h ALA 6 N 1.49 0.07 -0.62 5.00 0.00 -2.00 -2.55 119.26 120.65 1yit h ALA 6 Ca 0.01 -0.51 0.06 0.00 0.00 0.00 0.00 54.91 54.47 1yit h ALA 6 Cb 0.75 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 1yit h ALA 6 CO 0.06 0.24 0.32 1.15 0.00 0.00 0.00 179.25 181.01 1yit h THR 7 N -0.24 0.93 -0.73 0.00 2.02 -1.92 -1.49 112.91 111.49 1yit h THR 7 Ca -0.05 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 1yit h THR 7 Cb 1.15 0.29 -0.04 0.00 -1.74 0.00 0.00 68.15 67.81 1yit h THR 7 CO 0.09 0.11 0.44 0.50 0.37 0.00 0.00 175.52 177.02 1yit h LYS 8 N 0.59 0.99 -0.51 6.66 3.64 -1.31 -0.27 116.57 126.36 1yit h LYS 8 Ca 0.28 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 59.48 1yit h LYS 8 Cb 0.21 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1yit h LYS 8 CO -0.20 0.69 -0.06 0.87 -2.27 0.00 0.00 179.45 178.48 1yit h LYS 9 N 1.01 0.90 0.09 1.90 1.57 -0.85 -1.23 116.57 119.95 1yit h LYS 9 Ca 0.26 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1yit h LYS 9 Cb -0.04 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1yit h LYS 9 CO -0.05 0.94 -0.04 0.00 -0.57 0.00 0.00 179.45 179.72 1yit h ARG 10 N 0.82 -0.11 -0.89 3.15 3.08 -0.71 -1.18 114.38 118.54 1yit h ARG 10 Ca 0.14 0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.34 1yit h ARG 10 Cb 0.57 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.58 1yit h ARG 10 CO 0.03 0.23 0.57 -0.07 -1.07 0.00 0.00 179.97 179.67 1yit h LEU 11 N -0.47 0.66 0.24 3.04 3.38 -1.01 0.35 115.31 121.51 1yit h LEU 11 Ca -0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1yit h LEU 11 Cb 0.39 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1yit h LEU 11 CO 0.02 0.34 -0.12 0.00 0.09 0.00 0.00 178.44 178.77 1yit h ALA 12 N 1.60 -0.33 -0.71 1.53 0.00 -0.87 -0.99 119.26 119.49 1yit h ALA 12 Ca 0.45 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.32 1yit h ALA 12 Cb 0.70 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1yit h ALA 12 CO -0.21 -0.68 0.45 -0.22 0.00 0.00 0.00 179.25 178.59 1yit h LYS 13 N -0.33 0.85 -1.00 0.00 3.64 -0.01 -1.54 116.57 118.18 1yit h LYS 13 Ca -0.03 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.34 1yit h LYS 13 Cb 0.25 -0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 31.82 1yit h LYS 13 CO 0.05 0.56 0.65 -0.07 -2.27 0.00 0.00 179.45 178.38 1yit h LEU 14 N 0.88 1.07 -0.78 5.20 3.38 -0.67 0.15 115.31 124.54 1yit h LEU 14 Ca 0.28 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.20 1yit h LEU 14 Cb 0.01 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1yit h LEU 14 CO -0.11 0.72 0.27 -0.78 0.09 0.00 0.00 178.44 178.63 1yit h ASP 15 N 1.23 1.10 -0.18 -0.43 3.58 -0.22 -2.40 116.42 119.10 1yit h ASP 15 Ca 0.41 -0.19 -0.10 0.00 0.42 0.00 0.00 57.03 57.57 1yit h ASP 15 Cb 0.06 -0.29 -0.00 0.00 1.72 0.00 0.00 39.33 40.82 1yit h ASP 15 CO -0.14 1.00 -0.28 -1.13 -2.88 0.00 0.00 179.24 175.81 1yit h ASN 16 N 1.14 0.55 0.00 2.28 -0.00 -0.54 -2.40 115.58 116.61 1yit h ASN 16 Ca 0.25 -0.52 0.00 0.00 -0.00 0.00 0.00 56.30 56.03 1yit h ASN 16 Cb 0.27 -0.16 0.00 0.00 -0.00 0.00 0.00 38.32 38.44 1yit h ASN 16 CO -0.01 0.97 0.01 1.56 -0.00 0.00 0.00 177.43 179.96 1yit h GLN 17 N 0.15 0.00 -1.27 6.67 4.20 -0.64 -2.09 115.11 122.12 1yit h GLN 17 Ca 0.02 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.53 1yit h GLN 17 Cb 0.85 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.53 1yit h GLN 17 CO 0.06 0.00 0.26 -1.71 -0.67 0.00 0.00 178.83 176.77 1yit n ASN 18 N -2.70 4.46 -4.75 1.46 4.05 -0.90 -4.81 115.26 112.06 1yit n ASN 18 Ca -0.02 -2.69 -0.23 0.00 0.45 0.00 0.00 54.58 52.09 1yit n ASN 18 Cb 0.07 -0.81 -0.06 0.00 1.23 0.00 0.00 39.78 40.21 1yit n ASN 18 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1yit s SER 19 N 0.41 4.73 0.87 1.20 1.04 -0.79 -4.91 113.70 116.25 1yit s SER 19 Ca 0.21 -0.78 -0.12 0.00 0.48 0.00 0.00 55.95 55.74 1yit s SER 19 Cb 0.17 -0.71 0.12 0.00 0.10 0.00 0.00 66.02 65.69 1yit s SER 19 CO 0.02 -0.35 1.10 -0.60 0.98 0.00 0.00 173.24 174.39 1yit s ARG 20 N -3.88 1.44 -0.25 4.02 3.52 -1.26 -4.97 118.95 117.58 1yit s ARG 20 Ca 0.39 0.61 -0.26 0.00 -0.13 0.00 0.00 55.73 56.35 1yit s ARG 20 Cb -0.02 -1.85 -0.00 0.00 -1.56 0.00 0.00 34.95 31.52 1yit s ARG 20 CO 0.23 -2.06 0.88 0.08 -0.81 0.00 0.00 175.30 173.62 1yit s VAL 21 N -3.09 4.79 0.28 7.11 1.01 -1.26 -4.98 120.40 124.26 1yit s VAL 21 Ca 0.63 1.64 -0.26 0.00 0.00 0.00 0.00 61.98 63.98 1yit s VAL 21 Cb -0.16 -4.17 -0.15 0.00 0.00 0.00 0.00 36.38 31.90 1yit s VAL 21 CO 0.55 -0.12 0.60 -0.81 0.00 0.00 0.00 175.10 175.32 1yit n PRO 22 N 6.12 0.43 -0.26 2.72 -0.04 -1.26 -4.85 135.00 137.86 1yit n PRO 22 Ca 0.07 0.15 0.07 0.00 -0.04 0.00 0.00 63.50 63.75 1yit n PRO 22 Cb 0.47 -1.29 0.20 0.00 -0.04 0.00 0.00 33.50 32.84 1yit n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1yit h ALA 23 N 1.15 1.05 -0.14 0.55 0.00 -2.03 -2.02 119.26 117.83 1yit h ALA 23 Ca -0.34 0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1yit h ALA 23 Cb 1.41 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1yit h ALA 23 CO 0.56 -0.30 -0.20 0.11 0.00 0.00 0.00 179.25 179.42 1yit h TRP 24 N 0.34 0.25 -0.01 0.00 5.08 -2.01 -2.63 115.95 116.97 1yit h TRP 24 Ca 0.43 -0.04 0.00 0.00 1.08 0.00 0.00 58.89 60.37 1yit h TRP 24 Cb 0.73 -0.07 -0.00 0.00 -3.00 0.00 0.00 29.16 26.82 1yit h TRP 24 CO -0.21 0.43 0.01 0.28 -1.28 0.00 0.00 178.44 177.66 1yit h VAL 25 N 0.21 0.77 -0.03 0.12 2.07 -1.70 0.33 116.25 118.03 1yit h VAL 25 Ca 0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1yit h VAL 25 Cb 0.49 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1yit h VAL 25 CO 0.03 0.00 -0.00 0.24 0.02 0.00 0.00 177.57 177.86 1yit h MET 26 N 0.00 0.05 -0.02 1.57 2.86 -1.54 -2.35 114.93 115.50 1yit h MET 26 Ca 0.01 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1yit h MET 26 Cb 0.03 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 1yit h MET 26 CO -0.00 0.38 0.00 -0.07 1.06 0.00 0.00 176.91 178.28 1yit h LEU 27 N -0.28 0.03 -0.48 1.22 3.38 -1.33 0.82 115.31 118.67 1yit h LEU 27 Ca 0.01 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1yit h LEU 27 Cb 0.35 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1yit h LEU 27 CO 0.00 0.29 0.04 1.17 0.09 0.00 0.00 178.44 180.03 1yit n LYS 28 N -4.94 0.05 -0.27 1.13 4.81 0.11 -1.54 118.16 117.51 1yit n LYS 28 Ca -0.08 0.53 0.07 0.00 -0.87 0.00 0.00 58.31 57.96 1yit n LYS 28 Cb 0.16 -1.69 0.10 0.00 0.02 0.00 0.00 35.03 33.62 1yit n LYS 28 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1yit n THR 29 N -1.74 1.33 -1.15 3.15 -2.24 -0.89 -4.95 114.28 107.80 1yit n THR 29 Ca -0.00 -1.67 -0.08 0.00 -2.27 0.00 0.00 64.05 60.03 1yit n THR 29 Cb 0.05 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.25 1yit n THR 29 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1yit n ASP 30 N -0.96 -2.38 -1.02 3.42 9.92 -0.59 -5.02 116.55 119.92 1yit n ASP 30 Ca 0.11 0.19 0.00 0.00 -0.53 0.00 0.00 54.79 54.57 1yit n ASP 30 Cb 0.67 -2.28 0.00 0.00 -0.64 0.00 0.00 41.12 38.87 1yit n ASP 30 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1yit n ARG 31 N -1.32 -2.89 0.00 -1.24 1.74 0.25 -5.01 116.66 108.18 1yit n ARG 31 Ca -0.08 2.17 0.00 0.00 -0.77 0.00 0.00 57.85 59.17 1yit n ARG 31 Cb 0.28 -2.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.23 1yit n ARG 31 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1yit n ARG 35 N -1.20 0.00 -3.14 5.56 1.74 -1.26 -5.05 116.66 113.31 1yit n ARG 35 Ca 0.00 0.00 -0.45 0.00 -0.77 0.00 0.00 57.85 56.63 1yit n ARG 35 Cb 0.06 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.45 1yit n ARG 35 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1yit s ASN 36 N 0.00 6.19 0.00 0.55 3.84 -1.26 -4.91 114.94 119.35 1yit s ASN 36 Ca 0.00 -1.33 0.10 0.00 0.21 0.00 0.00 52.86 51.85 1yit s ASN 36 Cb 0.00 -2.29 0.61 0.00 -0.55 0.00 0.00 41.25 39.02 1yit s ASN 36 CO 0.00 -1.04 1.10 1.41 -2.79 0.00 0.00 177.10 175.78 1yit n HIS 37 N 6.21 0.00 -2.13 0.43 8.25 -1.26 -3.03 115.22 123.70 1yit n HIS 37 Ca -0.09 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.29 1yit n HIS 37 Cb 0.43 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.62 1yit n HIS 37 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1yit n LYS 38 N -0.77 2.26 -2.72 -0.41 5.02 -1.26 -5.03 118.16 115.25 1yit n LYS 38 Ca 0.08 -3.54 -0.43 0.00 -2.02 0.00 0.00 58.31 52.40 1yit n LYS 38 Cb 0.04 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 33.33 1yit n LYS 38 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1yit s ARG 39 N -3.10 3.99 0.07 1.97 0.52 -1.17 -4.69 118.95 116.54 1yit s ARG 39 Ca 0.41 0.87 0.05 0.00 -0.52 0.00 0.00 55.73 56.54 1yit s ARG 39 Cb 0.38 -3.76 -0.04 0.00 0.52 0.00 0.00 34.95 32.05 1yit s ARG 39 CO -0.03 -0.90 -0.05 0.50 0.02 0.00 0.00 175.30 174.85 1yit s ARG 40 N 3.54 2.44 -0.03 3.54 3.52 -1.26 -5.08 118.95 125.61 1yit s ARG 40 Ca 0.42 -0.85 0.06 0.00 -0.13 0.00 0.00 55.73 55.23 1yit s ARG 40 Cb -0.12 -2.47 -0.02 0.00 -1.56 0.00 0.00 34.95 30.78 1yit s ARG 40 CO 0.16 0.55 -0.21 -1.58 -0.81 0.00 0.00 175.30 173.41 1yit s HIS 41 N -1.19 2.49 0.44 5.12 5.65 -1.26 -5.00 115.29 121.54 1yit s HIS 41 Ca 0.22 -0.33 0.10 0.00 0.25 0.00 0.00 55.06 55.30 1yit s HIS 41 Cb -0.11 -1.56 0.99 0.00 -1.18 0.00 0.00 32.58 30.72 1yit s HIS 41 CO 0.14 0.05 2.09 0.11 -0.65 0.00 0.00 174.74 176.47 1yit h TRP 42 N 5.45 0.35 0.00 3.88 5.08 -2.00 -0.99 115.95 127.71 1yit h TRP 42 Ca -0.44 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.54 1yit h TRP 42 Cb 1.14 -0.12 0.00 0.00 -3.00 0.00 0.00 29.16 27.18 1yit h TRP 42 CO 0.44 0.22 -0.25 -2.13 -1.28 0.00 0.00 178.44 175.44 1yit n ARG 43 N -4.49 0.23 -0.35 0.12 0.63 -1.26 -4.55 116.66 106.98 1yit n ARG 43 Ca 0.01 0.39 0.05 0.00 -0.92 0.00 0.00 57.85 57.38 1yit n ARG 43 Cb 0.08 -1.22 0.21 0.00 0.45 0.00 0.00 32.46 31.98 1yit n ARG 43 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1yit h ARG 44 N -0.50 1.05 0.00 -0.14 2.47 -2.00 -3.44 114.38 111.82 1yit h ARG 44 Ca 0.00 -0.06 -0.24 0.00 -1.26 0.00 0.00 59.98 58.42 1yit h ARG 44 Cb 0.25 -0.24 0.03 0.00 -1.65 0.00 0.00 29.97 28.36 1yit h ARG 44 CO 0.00 0.70 0.00 0.09 0.56 0.00 0.00 179.97 181.32 1yit n ASN 45 N -4.54 0.92 -3.24 7.04 3.02 -0.38 -4.98 115.26 113.10 1yit n ASN 45 Ca 0.16 -1.70 -0.02 0.00 -0.03 0.00 0.00 54.58 52.99 1yit n ASN 45 Cb 0.25 -0.26 -0.04 0.00 -0.61 0.00 0.00 39.78 39.12 1yit n ASN 45 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1yit s ASP 46 N -2.90 -0.60 1.19 6.41 -1.08 -1.26 -4.79 116.67 113.64 1yit s ASP 46 Ca 0.32 0.40 -0.16 0.00 -0.52 0.00 0.00 52.55 52.59 1yit s ASP 46 Cb -0.02 1.64 0.28 0.00 -1.46 0.00 0.00 42.92 43.36 1yit s ASP 46 CO 0.20 -0.29 1.03 0.42 0.52 0.00 0.00 175.17 177.06 1yit s THR 47 N 2.70 1.79 0.84 1.71 -4.23 -1.26 -5.03 115.64 112.16 1yit s THR 47 Ca 0.15 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.56 1yit s THR 47 Cb -0.14 -2.23 0.14 0.00 1.34 0.00 0.00 72.50 71.61 1yit s THR 47 CO -0.21 0.00 1.18 -1.81 -0.54 0.00 0.00 174.62 173.24 1yit s ASP 48 N -3.06 3.90 0.00 3.99 -0.00 -1.26 -5.27 116.67 114.97 1yit s ASP 48 Ca 0.68 0.26 0.00 0.00 -0.00 0.00 0.00 52.55 53.49 1yit s ASP 48 Cb -0.19 -0.56 0.00 0.00 -0.00 0.00 0.00 42.92 42.17 1yit s ASP 48 CO 0.61 -2.21 0.00 -0.62 -0.00 0.00 0.00 175.17 172.94