#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nji s LYS 2 N 0.00 2.73 0.29 1.61 -0.14 -1.26 -5.09 119.74 117.88 1nji s LYS 2 Ca 0.00 -1.16 -0.14 0.00 -1.36 0.00 0.00 55.97 53.31 1nji s LYS 2 Cb 0.00 -3.67 -0.08 0.00 -1.68 0.00 0.00 37.83 32.40 1nji s LYS 2 CO 0.00 -0.73 0.68 -1.59 -0.76 0.00 0.00 175.35 172.95 1nji s LYS 3 N 1.50 3.96 0.74 1.68 -2.85 -1.26 -5.09 119.74 118.41 1nji s LYS 3 Ca 0.01 0.56 -0.00 0.00 -1.00 0.00 0.00 55.97 55.54 1nji s LYS 3 Cb -0.20 -2.53 0.14 0.00 -2.06 0.00 0.00 37.83 33.19 1nji s LYS 3 CO 0.05 0.22 1.02 -1.54 0.10 0.00 0.00 175.35 175.20 1nji s SER 4 N -2.25 4.22 0.11 0.03 1.04 -1.26 -4.91 113.70 110.68 1nji s SER 4 Ca 0.51 -0.49 -0.17 0.00 0.48 0.00 0.00 55.95 56.29 1nji s SER 4 Cb -0.11 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.16 1nji s SER 4 CO 0.19 -1.96 1.60 0.50 0.98 0.00 0.00 173.24 174.54 1nji h LYS 5 N -0.58 0.55 -0.27 4.02 3.64 -1.99 -1.90 116.57 120.04 1nji h LYS 5 Ca -0.35 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1nji h LYS 5 Cb 1.26 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 1nji h LYS 5 CO 0.38 0.62 0.15 0.00 -2.27 0.00 0.00 179.45 178.32 1nji h ALA 6 N 0.91 0.35 -0.70 5.00 0.00 -2.00 -1.64 119.26 121.18 1nji h ALA 6 Ca 0.10 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1nji h ALA 6 Cb 0.32 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1nji h ALA 6 CO 0.00 -0.12 0.42 1.15 0.00 0.00 0.00 179.25 180.70 1nji h THR 7 N 0.33 1.03 -0.90 0.00 2.02 -1.93 -1.74 112.91 111.72 1nji h THR 7 Ca 0.10 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 1nji h THR 7 Cb 0.06 0.17 -0.04 0.00 -1.74 0.00 0.00 68.15 66.59 1nji h THR 7 CO -0.02 0.14 0.49 0.50 0.37 0.00 0.00 175.52 177.01 1nji h LYS 8 N 0.79 1.25 -0.40 6.66 3.64 -1.04 -0.29 116.57 127.18 1nji h LYS 8 Ca 0.30 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1nji h LYS 8 Cb 0.12 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 1nji h LYS 8 CO -0.15 0.92 0.23 0.87 -2.27 0.00 0.00 179.45 179.04 1nji h LYS 9 N 1.25 0.56 -0.11 1.90 1.57 -0.49 -0.65 116.57 120.59 1nji h LYS 9 Ca 0.31 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1nji h LYS 9 Cb 0.03 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1nji h LYS 9 CO -0.05 0.44 0.07 0.00 -0.57 0.00 0.00 179.45 179.34 1nji h ARG 10 N 0.52 0.16 -0.81 3.15 3.08 -0.81 -0.84 114.38 118.84 1nji h ARG 10 Ca 0.14 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.23 1nji h ARG 10 Cb 0.04 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 1nji h ARG 10 CO -0.02 0.14 0.50 -0.07 -1.07 0.00 0.00 179.97 179.45 1nji h LEU 11 N 0.12 0.81 -0.26 3.04 3.38 -0.87 -0.26 115.31 121.26 1nji h LEU 11 Ca 0.04 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1nji h LEU 11 Cb 0.03 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1nji h LEU 11 CO -0.01 0.53 -0.01 0.00 0.09 0.00 0.00 178.44 179.05 1nji h ALA 12 N 1.37 0.22 -0.05 1.53 0.00 -0.54 -0.20 119.26 121.60 1nji h ALA 12 Ca 0.34 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.35 1nji h ALA 12 Cb 0.10 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1nji h ALA 12 CO -0.15 -0.42 -0.07 -0.22 0.00 0.00 0.00 179.25 178.39 1nji h LYS 13 N 0.07 -0.10 -0.89 0.00 3.64 -0.43 -0.99 116.57 117.87 1nji h LYS 13 Ca 0.12 0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.67 1nji h LYS 13 Cb 0.16 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.93 1nji h LYS 13 CO -0.21 -0.07 0.58 -0.07 -2.27 0.00 0.00 179.45 177.41 1nji h LEU 14 N -0.11 0.59 -0.45 5.20 3.38 -0.43 0.17 115.31 123.66 1nji h LEU 14 Ca 0.05 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 1nji h LEU 14 Cb 0.17 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1nji h LEU 14 CO -0.11 0.28 -0.03 -0.78 0.09 0.00 0.00 178.44 177.89 1nji h ASP 15 N 0.62 0.80 -0.51 -0.43 3.58 -0.08 -2.81 116.42 117.58 1nji h ASP 15 Ca 0.46 -0.32 -0.04 0.00 0.42 0.00 0.00 57.03 57.55 1nji h ASP 15 Cb 0.84 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.65 1nji h ASP 15 CO -0.21 0.93 0.18 -1.13 -2.88 0.00 0.00 179.24 176.13 1nji h ASN 16 N 0.65 0.72 0.23 2.28 -0.00 0.37 -1.85 115.58 117.98 1nji h ASN 16 Ca 0.12 -0.19 0.00 0.00 -0.00 0.00 0.00 56.30 56.24 1nji h ASN 16 Cb 0.53 -0.19 0.00 0.00 -0.00 0.00 0.00 38.32 38.67 1nji h ASN 16 CO 0.03 0.72 0.00 1.56 -0.00 0.00 0.00 177.43 179.74 1nji h GLN 17 N 0.69 0.00 -0.25 6.67 4.20 -0.72 -2.55 115.11 123.16 1nji h GLN 17 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1nji h GLN 17 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1nji h GLN 17 CO -0.01 0.00 0.00 -1.71 -0.67 0.00 0.00 178.83 176.44 1nji n ASN 18 N -2.80 0.36 -4.65 1.46 4.05 -0.70 -4.82 115.26 108.16 1nji n ASN 18 Ca -0.02 -2.01 -0.25 0.00 0.45 0.00 0.00 54.58 52.75 1nji n ASN 18 Cb 0.11 -0.13 0.11 0.00 1.23 0.00 0.00 39.78 41.10 1nji n ASN 18 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1nji s SER 19 N -0.77 4.29 0.37 1.20 1.04 -0.96 -4.89 113.70 113.97 1nji s SER 19 Ca 0.02 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1nji s SER 19 Cb 0.01 -0.48 -0.03 0.00 0.10 0.00 0.00 66.02 65.63 1nji s SER 19 CO 0.01 -1.92 0.58 -0.60 0.98 0.00 0.00 173.24 172.29 1nji s ARG 20 N -5.31 3.42 -0.13 4.02 3.52 -1.26 -4.97 118.95 118.23 1nji s ARG 20 Ca 0.65 -0.33 -0.29 0.00 -0.13 0.00 0.00 55.73 55.63 1nji s ARG 20 Cb -0.07 -2.63 -0.04 0.00 -1.56 0.00 0.00 34.95 30.65 1nji s ARG 20 CO 0.46 0.06 1.63 0.08 -0.81 0.00 0.00 175.30 176.72 1nji s VAL 21 N -2.38 3.65 0.40 7.11 1.01 -1.26 -4.92 120.40 124.01 1nji s VAL 21 Ca 0.42 0.77 -0.24 0.00 0.00 0.00 0.00 61.98 62.93 1nji s VAL 21 Cb -0.10 -3.57 -0.12 0.00 0.00 0.00 0.00 36.38 32.59 1nji s VAL 21 CO 0.37 -0.15 0.81 -0.81 0.00 0.00 0.00 175.10 175.32 1nji n PRO 22 N 7.35 0.98 -0.36 2.72 -0.04 -1.26 -4.87 135.00 139.52 1nji n PRO 22 Ca 0.18 0.35 0.07 0.00 -0.04 0.00 0.00 63.50 64.06 1nji n PRO 22 Cb 0.44 -1.77 0.24 0.00 -0.04 0.00 0.00 33.50 32.37 1nji n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nji h ALA 23 N 1.27 1.51 0.00 0.55 0.00 -2.02 -1.24 119.26 119.33 1nji h ALA 23 Ca -0.42 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1nji h ALA 23 Cb 1.37 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1nji h ALA 23 CO 0.55 0.22 -0.08 0.11 0.00 0.00 0.00 179.25 180.05 1nji h TRP 24 N 0.99 0.00 0.00 0.00 5.08 -2.01 -1.24 115.95 118.77 1nji h TRP 24 Ca 0.50 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.44 1nji h TRP 24 Cb 0.49 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.65 1nji h TRP 24 CO -0.00 0.08 -0.12 0.28 -1.28 0.00 0.00 178.44 177.40 1nji h VAL 25 N 0.00 0.26 -0.10 0.12 2.07 -1.56 -1.03 116.25 116.01 1nji h VAL 25 Ca -0.00 -0.97 -0.21 0.00 0.82 0.00 0.00 66.70 66.34 1nji h VAL 25 Cb 0.28 1.78 0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1nji h VAL 25 CO 0.01 0.12 -0.75 0.24 0.02 0.00 0.00 177.57 177.21 1nji h MET 26 N 0.00 0.68 -0.28 1.57 2.86 -1.26 -2.23 114.93 116.27 1nji h MET 26 Ca -0.00 -0.60 -0.16 0.00 -2.06 0.00 0.00 59.70 56.88 1nji h MET 26 Cb 0.77 0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.57 1nji h MET 26 CO 0.02 1.21 -0.45 -0.07 1.06 0.00 0.00 176.91 178.67 1nji h LEU 27 N 0.36 0.88 -1.75 1.22 3.38 -1.46 0.15 115.31 118.09 1nji h LEU 27 Ca -0.07 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.37 1nji h LEU 27 Cb 1.40 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1nji h LEU 27 CO 0.15 1.23 -0.06 0.50 0.09 0.00 0.00 178.44 180.35 1nji h LYS 28 N 0.56 0.00 -0.16 1.13 3.64 -1.22 -2.78 116.57 117.74 1nji h LYS 28 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1nji h LYS 28 Cb 1.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1nji h LYS 28 CO 0.10 0.06 0.00 0.25 -2.27 0.00 0.00 179.45 177.60 1nji n THR 29 N -3.25 0.58 -2.79 1.00 -2.24 -0.84 -4.96 114.28 101.77 1nji n THR 29 Ca -0.01 -0.79 -0.16 0.00 -2.27 0.00 0.00 64.05 60.82 1nji n THR 29 Cb 0.27 0.78 -0.00 0.00 -2.10 0.00 0.00 70.33 69.29 1nji n THR 29 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1nji n ASP 30 N 0.35 -3.90 -0.85 3.42 8.00 -0.19 -5.03 116.55 118.35 1nji n ASP 30 Ca 0.07 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.55 1nji n ASP 30 Cb 0.31 -3.27 0.00 0.00 -0.02 0.00 0.00 41.12 38.14 1nji n ASP 30 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1nji n GLU 31 N -3.19 -2.44 0.00 -1.24 1.02 -0.14 -5.03 120.64 109.63 1nji n GLU 31 Ca -0.10 1.81 0.00 0.00 -0.02 0.00 0.00 57.16 58.86 1nji n GLU 31 Cb 0.58 -2.04 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 1nji n GLU 31 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1nji n ARG 35 N -0.86 0.00 -3.64 3.49 1.74 -1.26 -5.04 116.66 111.08 1nji n ARG 35 Ca 0.00 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.69 1nji n ARG 35 Cb 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.34 1nji n ARG 35 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1nji s ASN 36 N 0.00 5.53 0.00 0.55 3.84 -1.26 -4.93 114.94 118.68 1nji s ASN 36 Ca 0.00 -1.81 0.22 0.00 0.21 0.00 0.00 52.86 51.49 1nji s ASN 36 Cb 0.00 -1.94 1.26 0.00 -0.55 0.00 0.00 41.25 40.01 1nji s ASN 36 CO 0.00 -0.59 1.72 1.41 -2.79 0.00 0.00 177.10 176.84 1nji n HIS 37 N 4.82 0.00 -1.08 0.43 8.25 -1.26 -3.00 115.22 123.38 1nji n HIS 37 Ca -0.07 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.42 1nji n HIS 37 Cb 0.42 -0.11 0.27 0.00 1.12 0.00 0.00 29.99 31.69 1nji n HIS 37 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1nji n LYS 38 N -1.11 3.10 -2.04 -0.41 5.02 -1.26 -4.99 118.16 116.47 1nji n LYS 38 Ca 0.14 -2.99 -0.42 0.00 -2.02 0.00 0.00 58.31 53.03 1nji n LYS 38 Cb 0.11 -1.96 -0.03 0.00 -0.02 0.00 0.00 35.03 33.13 1nji n LYS 38 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1nji s ARG 39 N -2.93 4.25 -0.11 1.97 0.52 -1.16 -4.77 118.95 116.72 1nji s ARG 39 Ca 0.47 2.21 -0.01 0.00 -0.52 0.00 0.00 55.73 57.88 1nji s ARG 39 Cb 0.38 -3.35 0.03 0.00 0.52 0.00 0.00 34.95 32.53 1nji s ARG 39 CO 0.09 -0.58 -0.07 0.50 0.02 0.00 0.00 175.30 175.26 1nji s ARG 40 N 1.66 1.42 0.09 3.54 3.52 -1.26 -5.08 118.95 122.84 1nji s ARG 40 Ca 0.68 -0.21 -0.18 0.00 -0.13 0.00 0.00 55.73 55.89 1nji s ARG 40 Cb -0.39 -1.52 -0.07 0.00 -1.56 0.00 0.00 34.95 31.41 1nji s ARG 40 CO 0.31 -0.27 0.57 -1.58 -0.81 0.00 0.00 175.30 173.51 1nji s HIS 41 N 1.74 3.76 0.38 5.12 5.65 -1.26 -4.97 115.29 125.71 1nji s HIS 41 Ca 0.05 1.23 0.05 0.00 0.25 0.00 0.00 55.06 56.64 1nji s HIS 41 Cb -0.13 -2.47 0.77 0.00 -1.18 0.00 0.00 32.58 29.57 1nji s HIS 41 CO -0.08 0.55 2.02 0.11 -0.65 0.00 0.00 174.74 176.69 1nji h TRP 42 N 4.28 0.60 0.00 3.88 5.08 -2.01 -0.40 115.95 127.38 1nji h TRP 42 Ca -0.49 0.00 -0.15 0.00 1.08 0.00 0.00 58.89 59.33 1nji h TRP 42 Cb 1.21 -0.20 -0.02 0.00 -3.00 0.00 0.00 29.16 27.15 1nji h TRP 42 CO 0.67 0.40 -0.82 -0.09 -1.28 0.00 0.00 178.44 177.32 1nji h ARG 43 N 0.63 0.00 0.00 0.12 2.43 -2.04 -3.39 114.38 112.13 1nji h ARG 43 Ca 0.17 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.23 1nji h ARG 43 Cb -0.02 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1nji h ARG 43 CO -0.03 0.96 -0.51 0.00 -1.51 0.00 0.00 179.97 178.88 1nji h ARG 44 N -1.00 0.00 -6.08 0.20 2.47 -1.98 -3.46 114.38 104.54 1nji h ARG 44 Ca -0.22 0.00 -0.54 0.00 -1.26 0.00 0.00 59.98 57.95 1nji h ARG 44 Cb 1.17 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.45 1nji h ARG 44 CO -0.14 0.51 -0.31 -0.80 0.56 0.00 0.00 179.97 179.79 1nji s ASN 45 N -6.70 4.79 -0.03 7.04 0.01 -0.16 -4.97 114.94 114.93 1nji s ASN 45 Ca -0.01 -1.05 0.01 0.00 -0.71 0.00 0.00 52.86 51.10 1nji s ASN 45 Cb 0.12 0.06 0.02 0.00 0.41 0.00 0.00 41.25 41.87 1nji s ASN 45 CO 0.73 -0.97 -0.01 -0.62 -1.51 0.00 0.00 177.10 174.72 1nji s ASP 46 N -4.26 0.48 0.81 -1.22 -1.08 -1.26 -4.75 116.67 105.40 1nji s ASP 46 Ca 0.42 -0.05 -0.06 0.00 -0.52 0.00 0.00 52.55 52.34 1nji s ASP 46 Cb -0.03 -0.23 0.16 0.00 -1.46 0.00 0.00 42.92 41.36 1nji s ASP 46 CO 0.25 -0.07 1.12 0.42 0.52 0.00 0.00 175.17 177.40 1nji s THR 47 N 0.84 2.07 0.81 1.71 -4.23 -1.26 -5.10 115.64 110.49 1nji s THR 47 Ca -0.09 -0.39 -0.05 0.00 -1.18 0.00 0.00 61.69 59.98 1nji s THR 47 Cb -0.12 -2.68 0.17 0.00 1.34 0.00 0.00 72.50 71.21 1nji s THR 47 CO -0.01 0.00 1.11 -1.81 -0.54 0.00 0.00 174.62 173.37 1nji s ASP 48 N -4.80 3.83 0.00 3.99 -0.00 -1.26 -5.28 116.67 113.15 1nji s ASP 48 Ca 0.69 -0.33 0.00 0.00 -0.00 0.00 0.00 52.55 52.91 1nji s ASP 48 Cb -0.04 0.15 0.00 0.00 -0.00 0.00 0.00 42.92 43.02 1nji s ASP 48 CO 0.47 -2.23 0.00 -0.62 -0.00 0.00 0.00 175.17 172.79