#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9m s LYS 2 N 0.00 2.52 0.33 1.61 -0.14 -1.26 -5.10 119.74 117.70 1k9m s LYS 2 Ca 0.00 -1.21 -0.09 0.00 -1.36 0.00 0.00 55.97 53.31 1k9m s LYS 2 Cb 0.00 -3.19 -0.07 0.00 -1.68 0.00 0.00 37.83 32.89 1k9m s LYS 2 CO 0.00 -0.59 0.66 -1.59 -0.76 0.00 0.00 175.35 173.07 1k9m s LYS 3 N 1.28 3.77 0.53 1.68 -2.85 -1.26 -5.10 119.74 117.79 1k9m s LYS 3 Ca -0.04 0.32 0.06 0.00 -1.00 0.00 0.00 55.97 55.31 1k9m s LYS 3 Cb -0.19 -2.52 0.05 0.00 -2.06 0.00 0.00 37.83 33.11 1k9m s LYS 3 CO -0.01 0.13 0.73 -1.54 0.10 0.00 0.00 175.35 174.76 1k9m s SER 4 N -2.89 5.26 0.19 0.03 1.04 -1.26 -4.91 113.70 111.15 1k9m s SER 4 Ca 0.49 -0.45 -0.12 0.00 0.48 0.00 0.00 55.95 56.35 1k9m s SER 4 Cb -0.11 -0.36 0.15 0.00 0.10 0.00 0.00 66.02 65.81 1k9m s SER 4 CO 0.27 -1.14 1.80 0.50 0.98 0.00 0.00 173.24 175.65 1k9m h LYS 5 N 0.24 0.57 0.11 4.02 3.64 -1.99 0.28 116.57 123.45 1k9m h LYS 5 Ca -0.37 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.97 1k9m h LYS 5 Cb 1.28 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1k9m h LYS 5 CO 0.45 0.38 -0.05 0.00 -2.27 0.00 0.00 179.45 177.95 1k9m h ALA 6 N 1.28 -0.15 -0.56 5.00 0.00 -1.99 -1.66 119.26 121.19 1k9m h ALA 6 Ca 0.24 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1k9m h ALA 6 Cb 0.11 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1k9m h ALA 6 CO -0.14 -0.53 0.26 1.15 0.00 0.00 0.00 179.25 179.99 1k9m h THR 7 N -0.25 0.90 -0.92 0.00 2.02 -1.90 -0.44 112.91 112.33 1k9m h THR 7 Ca -0.02 -0.17 0.03 0.00 0.77 0.00 0.00 66.41 67.03 1k9m h THR 7 Cb 0.20 0.36 -0.05 0.00 -1.74 0.00 0.00 68.15 66.92 1k9m h THR 7 CO 0.02 0.09 0.60 0.50 0.37 0.00 0.00 175.52 177.10 1k9m h LYS 8 N 0.50 1.13 -0.72 6.66 3.64 -0.72 -0.08 116.57 126.97 1k9m h LYS 8 Ca 0.26 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1k9m h LYS 8 Cb 0.21 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1k9m h LYS 8 CO -0.20 0.75 0.34 0.87 -2.27 0.00 0.00 179.45 178.93 1k9m h LYS 9 N 1.16 1.04 -0.04 1.90 1.57 -0.20 -1.38 116.57 120.62 1k9m h LYS 9 Ca 0.36 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1k9m h LYS 9 Cb -0.01 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.12 1k9m h LYS 9 CO -0.12 0.82 0.01 0.00 -0.57 0.00 0.00 179.45 179.60 1k9m h ARG 10 N 1.01 0.07 -0.99 3.15 3.08 -0.19 -2.02 114.38 118.49 1k9m h ARG 10 Ca 0.25 -0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.39 1k9m h ARG 10 Cb 0.13 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.10 1k9m h ARG 10 CO -0.03 0.27 0.63 -0.07 -1.07 0.00 0.00 179.97 179.70 1k9m h LEU 11 N -0.15 0.93 -0.52 3.04 3.38 -0.92 -0.77 115.31 120.30 1k9m h LEU 11 Ca 0.01 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1k9m h LEU 11 Cb 0.23 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1k9m h LEU 11 CO 0.00 0.52 0.32 0.00 0.09 0.00 0.00 178.44 179.37 1k9m h ALA 12 N 1.53 0.67 0.11 1.53 0.00 -0.91 -0.95 119.26 121.23 1k9m h ALA 12 Ca 0.47 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 1k9m h ALA 12 Cb 0.43 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1k9m h ALA 12 CO -0.23 0.04 -0.05 -0.22 0.00 0.00 0.00 179.25 178.78 1k9m h LYS 13 N 0.64 -0.14 -0.89 0.00 3.64 -0.46 -1.48 116.57 117.88 1k9m h LYS 13 Ca 0.21 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.75 1k9m h LYS 13 Cb -0.00 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.78 1k9m h LYS 13 CO -0.08 -0.04 0.57 -0.07 -2.27 0.00 0.00 179.45 177.56 1k9m h LEU 14 N -0.20 0.61 -0.64 5.20 3.38 -1.00 0.45 115.31 123.11 1k9m h LEU 14 Ca -0.01 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 1k9m h LEU 14 Cb 0.16 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1k9m h LEU 14 CO 0.02 0.30 -0.48 -0.78 0.09 0.00 0.00 178.44 177.59 1k9m h ASP 15 N 0.64 0.54 -0.28 -0.43 3.58 -0.61 -2.85 116.42 117.01 1k9m h ASP 15 Ca 0.45 -0.26 -0.14 0.00 0.42 0.00 0.00 57.03 57.50 1k9m h ASP 15 Cb 0.80 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.69 1k9m h ASP 15 CO -0.20 0.93 -0.36 -1.13 -2.88 0.00 0.00 179.24 175.60 1k9m h ASN 16 N 0.39 0.81 0.24 2.28 -0.00 0.44 -2.34 115.58 117.41 1k9m h ASN 16 Ca 0.02 -0.50 0.00 0.00 -0.00 0.00 0.00 56.30 55.82 1k9m h ASN 16 Cb 0.99 -0.23 0.00 0.00 -0.00 0.00 0.00 38.32 39.08 1k9m h ASN 16 CO 0.09 1.15 0.00 0.00 -0.00 0.00 0.00 177.43 178.67 1k9m n GLN 17 N -4.19 0.13 -0.25 6.67 6.02 0.12 -2.51 117.38 123.37 1k9m n GLN 17 Ca -0.04 0.53 0.02 0.00 -0.01 0.00 0.00 57.00 57.50 1k9m n GLN 17 Cb 0.52 -1.84 0.12 0.00 1.02 0.00 0.00 30.24 30.05 1k9m n GLN 17 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1k9m n ASN 18 N -2.10 2.23 -4.97 1.08 4.05 -0.88 -4.83 115.26 109.84 1k9m n ASN 18 Ca 0.00 -2.23 -0.21 0.00 0.45 0.00 0.00 54.58 52.59 1k9m n ASN 18 Cb 0.10 -0.49 0.04 0.00 1.23 0.00 0.00 39.78 40.65 1k9m n ASN 18 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1k9m s SER 19 N -0.35 5.28 0.42 1.20 1.04 -1.04 -4.90 113.70 115.34 1k9m s SER 19 Ca 0.16 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.51 1k9m s SER 19 Cb 0.12 -0.80 -0.01 0.00 0.10 0.00 0.00 66.02 65.42 1k9m s SER 19 CO 0.06 -1.13 0.64 -0.60 0.98 0.00 0.00 173.24 173.18 1k9m s ARG 20 N -4.73 3.22 -0.05 4.02 3.52 -1.26 -4.98 118.95 118.69 1k9m s ARG 20 Ca 0.57 -0.41 -0.30 0.00 -0.13 0.00 0.00 55.73 55.47 1k9m s ARG 20 Cb -0.10 -2.59 -0.05 0.00 -1.56 0.00 0.00 34.95 30.65 1k9m s ARG 20 CO 0.38 -0.13 1.63 0.08 -0.81 0.00 0.00 175.30 176.45 1k9m s VAL 21 N -2.48 3.59 0.35 7.11 1.01 -1.26 -4.91 120.40 123.80 1k9m s VAL 21 Ca 0.46 0.74 -0.26 0.00 0.00 0.00 0.00 61.98 62.91 1k9m s VAL 21 Cb -0.10 -3.48 -0.13 0.00 0.00 0.00 0.00 36.38 32.68 1k9m s VAL 21 CO 0.38 -0.06 0.99 -0.81 0.00 0.00 0.00 175.10 175.59 1k9m n PRO 22 N 7.00 1.33 -0.17 2.72 -0.04 -1.26 -4.87 135.00 139.71 1k9m n PRO 22 Ca 0.17 0.47 -0.02 0.00 -0.04 0.00 0.00 63.50 64.08 1k9m n PRO 22 Cb 0.43 -1.91 0.06 0.00 -0.04 0.00 0.00 33.50 32.04 1k9m n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k9m h ALA 23 N 1.77 0.44 -0.39 0.55 0.00 -2.02 -1.27 119.26 118.35 1k9m h ALA 23 Ca -0.42 0.18 0.11 0.00 0.00 0.00 0.00 54.91 54.79 1k9m h ALA 23 Cb 1.34 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 1k9m h ALA 23 CO 0.59 -0.41 0.30 0.11 0.00 0.00 0.00 179.25 179.84 1k9m h TRP 24 N 0.06 0.00 0.00 0.00 5.08 -2.01 0.23 115.95 119.32 1k9m h TRP 24 Ca 0.27 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.21 1k9m h TRP 24 Cb 0.41 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.57 1k9m h TRP 24 CO -0.38 0.00 -0.11 0.28 -1.28 0.00 0.00 178.44 176.95 1k9m h VAL 25 N 0.00 0.28 -0.14 0.12 2.07 -1.57 -0.98 116.25 116.03 1k9m h VAL 25 Ca 0.18 -0.82 -0.09 0.00 0.82 0.00 0.00 66.70 66.80 1k9m h VAL 25 Cb 0.79 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1k9m h VAL 25 CO -0.00 0.11 -0.26 0.24 0.02 0.00 0.00 177.57 177.67 1k9m h MET 26 N 0.00 0.43 -0.37 1.57 2.86 -0.54 -1.73 114.93 117.15 1k9m h MET 26 Ca -0.00 -0.27 -0.14 0.00 -2.06 0.00 0.00 59.70 57.23 1k9m h MET 26 Cb 0.63 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 1k9m h MET 26 CO 0.01 0.87 -0.32 -0.07 1.06 0.00 0.00 176.91 178.47 1k9m h LEU 27 N 0.04 0.93 -1.62 1.22 3.38 -1.40 -0.37 115.31 117.48 1k9m h LEU 27 Ca 0.01 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 1k9m h LEU 27 Cb 0.85 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1k9m h LEU 27 CO 0.06 1.19 -0.12 0.50 0.09 0.00 0.00 178.44 180.16 1k9m h LYS 28 N 0.68 0.00 -0.16 1.13 3.64 -1.20 -2.82 116.57 117.85 1k9m h LYS 28 Ca 0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1k9m h LYS 28 Cb 0.90 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1k9m h LYS 28 CO 0.08 0.12 0.00 0.25 -2.27 0.00 0.00 179.45 177.63 1k9m n THR 29 N -3.38 0.39 -3.37 1.00 -2.24 -0.65 -4.96 114.28 101.06 1k9m n THR 29 Ca -0.01 -0.69 -0.24 0.00 -2.27 0.00 0.00 64.05 60.84 1k9m n THR 29 Cb 0.31 0.96 -0.00 0.00 -2.10 0.00 0.00 70.33 69.50 1k9m n THR 29 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1k9m n ASP 30 N 0.66 -3.96 -1.00 3.42 8.00 -0.28 -5.04 116.55 118.36 1k9m n ASP 30 Ca 0.09 -0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.18 1k9m n ASP 30 Cb 0.36 -3.26 0.00 0.00 -0.02 0.00 0.00 41.12 38.20 1k9m n ASP 30 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1k9m n GLU 31 N -3.80 -2.86 0.00 -1.24 1.02 -0.45 -5.04 120.64 108.28 1k9m n GLU 31 Ca -0.02 2.12 0.00 0.00 -0.02 0.00 0.00 57.16 59.24 1k9m n GLU 31 Cb 0.55 -2.37 0.00 0.00 -0.02 0.00 0.00 31.44 29.59 1k9m n GLU 31 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1k9m n ARG 35 N -0.74 0.00 -3.66 3.49 1.74 -1.26 -5.05 116.66 111.19 1k9m n ARG 35 Ca 0.00 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.69 1k9m n ARG 35 Cb 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.34 1k9m n ARG 35 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1k9m s ASN 36 N 0.00 5.51 0.00 0.55 3.84 -1.26 -4.92 114.94 118.66 1k9m s ASN 36 Ca 0.00 -1.57 0.25 0.00 0.21 0.00 0.00 52.86 51.75 1k9m s ASN 36 Cb 0.00 -1.94 1.34 0.00 -0.55 0.00 0.00 41.25 40.11 1k9m s ASN 36 CO 0.00 -0.52 1.83 1.41 -2.79 0.00 0.00 177.10 177.04 1k9m n HIS 37 N 4.84 0.00 -1.20 0.43 8.25 -1.26 -3.17 115.22 123.10 1k9m n HIS 37 Ca -0.09 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.33 1k9m n HIS 37 Cb 0.43 -0.17 0.24 0.00 1.12 0.00 0.00 29.99 31.61 1k9m n HIS 37 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1k9m n LYS 38 N -1.17 2.64 -2.11 -0.41 5.02 -1.26 -4.99 118.16 115.88 1k9m n LYS 38 Ca 0.15 -3.05 -0.42 0.00 -2.02 0.00 0.00 58.31 52.97 1k9m n LYS 38 Cb 0.15 -1.97 -0.03 0.00 -0.02 0.00 0.00 35.03 33.16 1k9m n LYS 38 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1k9m s ARG 39 N -3.08 4.29 -0.17 1.97 0.52 -1.19 -4.78 118.95 116.51 1k9m s ARG 39 Ca 0.48 2.15 -0.01 0.00 -0.52 0.00 0.00 55.73 57.83 1k9m s ARG 39 Cb 0.41 -3.22 0.04 0.00 0.52 0.00 0.00 34.95 32.70 1k9m s ARG 39 CO 0.07 -0.48 -0.03 0.50 0.02 0.00 0.00 175.30 175.38 1k9m s ARG 40 N 1.08 1.22 0.17 3.54 3.52 -1.26 -5.08 118.95 122.14 1k9m s ARG 40 Ca 0.66 -0.47 -0.22 0.00 -0.13 0.00 0.00 55.73 55.57 1k9m s ARG 40 Cb -0.39 -1.96 -0.08 0.00 -1.56 0.00 0.00 34.95 30.96 1k9m s ARG 40 CO 0.31 -0.47 0.72 -1.58 -0.81 0.00 0.00 175.30 173.47 1k9m s HIS 41 N 1.69 3.78 0.34 5.12 5.65 -1.26 -4.96 115.29 125.65 1k9m s HIS 41 Ca 0.00 1.47 0.01 0.00 0.25 0.00 0.00 55.06 56.80 1k9m s HIS 41 Cb -0.15 -2.66 0.59 0.00 -1.18 0.00 0.00 32.58 29.18 1k9m s HIS 41 CO -0.07 0.45 1.99 0.11 -0.65 0.00 0.00 174.74 176.57 1k9m h TRP 42 N 3.98 0.83 0.00 3.88 5.08 -2.00 -0.85 115.95 126.87 1k9m h TRP 42 Ca -0.48 0.01 -0.08 0.00 1.08 0.00 0.00 58.89 59.43 1k9m h TRP 42 Cb 1.20 -0.28 -0.01 0.00 -3.00 0.00 0.00 29.16 27.07 1k9m h TRP 42 CO 0.65 0.54 -0.48 -0.09 -1.28 0.00 0.00 178.44 177.78 1k9m h ARG 43 N 0.89 0.00 0.00 0.12 2.43 -2.04 -3.39 114.38 112.39 1k9m h ARG 43 Ca 0.24 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.33 1k9m h ARG 43 Cb -0.08 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1k9m h ARG 43 CO -0.05 0.75 -0.36 0.00 -1.51 0.00 0.00 179.97 178.81 1k9m h ARG 44 N -1.00 0.00 -5.96 0.20 2.47 -1.98 -3.45 114.38 104.66 1k9m h ARG 44 Ca -0.12 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 58.04 1k9m h ARG 44 Cb 0.91 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.18 1k9m h ARG 44 CO -0.07 0.36 -0.35 -0.80 0.56 0.00 0.00 179.97 179.66 1k9m s ASN 45 N -6.61 4.67 -0.02 7.04 0.01 -0.33 -4.97 114.94 114.73 1k9m s ASN 45 Ca -0.02 -1.12 0.01 0.00 -0.71 0.00 0.00 52.86 51.02 1k9m s ASN 45 Cb 0.13 0.07 0.02 0.00 0.41 0.00 0.00 41.25 41.88 1k9m s ASN 45 CO 0.69 -0.92 -0.01 -0.62 -1.51 0.00 0.00 177.10 174.73 1k9m s ASP 46 N -4.18 0.37 0.68 -1.22 -1.08 -1.26 -4.77 116.67 105.21 1k9m s ASP 46 Ca 0.38 -0.03 -0.01 0.00 -0.52 0.00 0.00 52.55 52.36 1k9m s ASP 46 Cb -0.01 -0.15 0.10 0.00 -1.46 0.00 0.00 42.92 41.39 1k9m s ASP 46 CO 0.22 -0.05 0.94 0.42 0.52 0.00 0.00 175.17 177.23 1k9m s THR 47 N 0.61 2.30 0.87 1.71 -4.23 -1.26 -5.10 115.64 110.54 1k9m s THR 47 Ca -0.06 -0.57 -0.10 0.00 -1.18 0.00 0.00 61.69 59.79 1k9m s THR 47 Cb -0.09 -2.73 0.19 0.00 1.34 0.00 0.00 72.50 71.21 1k9m s THR 47 CO -0.01 0.00 1.19 0.47 -0.54 0.00 0.00 174.62 175.73 1k9m n ASP 48 N -2.73 0.63 0.00 3.99 10.43 -1.26 -5.27 116.55 122.35 1k9m n ASP 48 Ca 0.12 -1.76 0.00 0.00 2.57 0.00 0.00 54.79 55.72 1k9m n ASP 48 Cb 0.60 -0.86 0.00 0.00 1.84 0.00 0.00 41.12 42.70 1k9m n ASP 48 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51