#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nji n PRO 13 N 0.00 1.71 -0.11 0.38 -0.02 -1.26 -4.86 135.00 130.84 1nji n PRO 13 Ca 0.00 0.62 -0.10 0.00 -2.02 0.00 0.00 63.50 61.99 1nji n PRO 13 Cb 0.00 -2.33 -0.02 0.00 -0.02 0.00 0.00 33.50 31.13 1nji n PRO 13 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1nji h GLU 14 N 5.26 0.57 -0.63 -0.52 5.08 -2.06 -2.79 114.58 119.50 1nji h GLU 14 Ca -0.46 -0.16 0.16 0.00 -1.00 0.00 0.00 59.36 57.90 1nji h GLU 14 Cb 1.29 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 1nji h GLU 14 CO 0.84 0.66 0.44 0.11 -1.00 0.00 0.00 179.01 180.06 1nji h TRP 15 N 0.39 0.18 -0.35 4.33 5.08 -1.99 0.43 115.95 124.01 1nji h TRP 15 Ca 0.10 0.01 -0.16 0.00 1.08 0.00 0.00 58.89 59.91 1nji h TRP 15 Cb 0.38 -0.06 -0.01 0.00 -3.00 0.00 0.00 29.16 26.48 1nji h TRP 15 CO 0.03 0.07 -0.42 0.87 -1.28 0.00 0.00 178.44 177.70 1nji h LYS 16 N 0.15 0.89 -0.56 0.12 1.57 -1.87 -1.40 116.57 115.47 1nji h LYS 16 Ca 0.30 -0.48 -0.09 0.00 -1.87 0.00 0.00 60.65 58.51 1nji h LYS 16 Cb 0.99 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 1nji h LYS 16 CO -0.04 1.13 -0.01 1.96 -0.57 0.00 0.00 179.45 181.92 1nji h GLN 17 N 0.72 0.99 -0.27 3.15 4.20 -0.05 -2.01 115.11 121.85 1nji h GLN 17 Ca 0.05 -0.32 -0.11 0.00 0.06 0.00 0.00 58.65 58.33 1nji h GLN 17 Cb 1.01 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 1nji h GLN 17 CO 0.10 1.00 -0.30 0.93 -0.67 0.00 0.00 178.83 179.89 1nji h GLU 18 N 0.88 0.55 -0.35 1.46 5.08 -0.71 -2.92 114.58 118.58 1nji h GLU 18 Ca 0.16 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 1nji h GLU 18 Cb 0.55 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1nji h GLU 18 CO 0.03 0.79 0.01 1.49 -1.00 0.00 0.00 179.01 180.33 1nji h GLU 19 N 0.48 0.61 -0.05 2.33 4.57 -1.02 -0.11 114.58 121.38 1nji h GLU 19 Ca 0.06 -0.19 0.01 0.00 -1.18 0.00 0.00 59.36 58.07 1nji h GLU 19 Cb 0.76 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.29 1nji h GLU 19 CO 0.06 0.72 0.10 0.28 -1.18 0.00 0.00 179.01 178.98 1nji h VAL 20 N 0.42 0.28 0.00 0.32 2.07 -1.23 0.23 116.25 118.34 1nji h VAL 20 Ca 0.10 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 1nji h VAL 20 Cb 0.44 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1nji h VAL 20 CO 0.02 0.00 -0.09 0.44 0.02 0.00 0.00 177.57 177.95 1nji h ASP 21 N 0.00 0.00 -1.01 0.57 3.32 -1.18 -2.60 116.42 115.53 1nji h ASP 21 Ca 0.02 -0.18 0.23 0.00 0.02 0.00 0.00 57.03 57.12 1nji h ASP 21 Cb 0.22 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.65 1nji h ASP 21 CO -0.00 0.64 0.61 0.00 -1.72 0.00 0.00 179.24 178.77 1nji h ALA 22 N -0.82 1.79 -0.31 3.45 0.00 -0.42 0.46 119.26 123.41 1nji h ALA 22 Ca -0.01 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1nji h ALA 22 Cb 0.26 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1nji h ALA 22 CO -0.01 -0.22 -0.05 0.82 0.00 0.00 0.00 179.25 179.79 1nji h ILE 23 N 0.63 1.27 0.00 0.00 2.04 -0.70 -1.84 117.51 118.91 1nji h ILE 23 Ca 0.62 -1.07 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 1nji h ILE 23 Cb 1.14 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 1nji h ILE 23 CO -0.43 0.34 -0.22 0.58 0.00 0.00 0.00 178.15 178.42 1nji h VAL 24 N 0.36 0.90 0.41 1.67 2.07 -0.12 -0.70 116.25 120.84 1nji h VAL 24 Ca 0.08 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 1nji h VAL 24 Cb 0.53 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1nji h VAL 24 CO 0.03 0.22 -0.20 -0.33 0.02 0.00 0.00 177.57 177.30 1nji h GLU 25 N 0.00 -0.54 0.00 1.57 5.08 0.12 -0.42 114.58 120.40 1nji h GLU 25 Ca -0.00 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1nji h GLU 25 Cb 0.47 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1nji h GLU 25 CO 0.03 -0.23 -0.08 0.52 -1.00 0.00 0.00 179.01 178.25 1nji h MET 26 N -0.91 0.00 0.00 2.33 2.86 -1.19 0.12 114.93 118.14 1nji h MET 26 Ca -0.06 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.49 1nji h MET 26 Cb 0.56 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1nji h MET 26 CO 0.09 0.08 -0.42 0.82 1.06 0.00 0.00 176.91 178.54 1nji h ILE 27 N 0.00 0.96 0.10 -1.22 2.04 -0.94 -3.10 117.51 115.35 1nji h ILE 27 Ca -0.00 -1.67 -0.28 0.00 1.00 0.00 0.00 64.86 63.90 1nji h ILE 27 Cb 0.18 2.00 0.02 0.00 -0.74 0.00 0.00 36.82 38.29 1nji h ILE 27 CO 0.01 0.41 -1.19 -0.33 0.00 0.00 0.00 178.15 177.05 1nji h GLU 28 N 0.00 0.53 0.02 2.37 5.08 0.94 -3.51 114.58 120.01 1nji h GLU 28 Ca -0.00 -0.70 -0.38 0.00 -1.00 0.00 0.00 59.36 57.27 1nji h GLU 28 Cb 0.97 0.23 -0.06 0.00 0.50 0.00 0.00 28.75 30.39 1nji h GLU 28 CO 0.06 1.30 -2.39 -1.13 -1.00 0.00 0.00 179.01 175.85 1nji n SER 29 N -3.74 1.68 0.00 1.42 3.41 -0.59 -5.10 113.62 110.70 1nji n SER 29 Ca -0.12 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1nji n SER 29 Cb 0.97 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 1nji n SER 29 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1nji n ARG 63 N -3.21 0.00 -0.02 4.33 1.74 -1.26 -5.04 116.66 113.20 1nji n ARG 63 Ca -0.42 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.57 1nji n ARG 63 Cb 1.02 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 32.43 1nji n ARG 63 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1nji h ASN 64 N 0.00 0.01 -0.75 0.55 -0.26 -2.05 -1.99 115.58 111.09 1nji h ASN 64 Ca 0.00 0.02 0.20 0.00 -0.56 0.00 0.00 56.30 55.96 1nji h ASN 64 Cb 0.00 0.03 -0.04 0.00 -1.06 0.00 0.00 38.32 37.25 1nji h ASN 64 CO 0.00 0.03 0.53 0.71 -1.06 0.00 0.00 177.43 177.64 1nji h THR 65 N 0.09 0.67 0.05 2.81 1.35 -2.04 0.34 112.91 116.18 1nji h THR 65 Ca 0.07 -0.04 -0.23 0.00 -0.55 0.00 0.00 66.41 65.66 1nji h THR 65 Cb 0.06 0.54 -0.01 0.00 -1.73 0.00 0.00 68.15 67.01 1nji h THR 65 CO -0.09 0.02 -1.06 -0.07 -0.25 0.00 0.00 175.52 174.07 1nji h LEU 66 N 0.12 0.21 -0.02 3.87 3.38 -1.82 -1.97 115.31 119.08 1nji h LEU 66 Ca 0.36 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1nji h LEU 66 Cb 1.27 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1nji h LEU 66 CO -0.05 1.13 -0.03 -0.07 0.09 0.00 0.00 178.44 179.51 1nji h LEU 67 N 0.05 0.06 -2.29 1.67 3.38 0.03 -1.19 115.31 117.02 1nji h LEU 67 Ca -0.06 -0.56 0.03 0.00 0.09 0.00 0.00 57.88 57.38 1nji h LEU 67 Cb 1.79 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.51 1nji h LEU 67 CO 0.16 0.61 0.11 -0.33 0.09 0.00 0.00 178.44 179.08 1nji h GLU 68 N -0.48 0.00 0.34 1.13 5.08 -0.55 1.00 114.58 121.10 1nji h GLU 68 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1nji h GLU 68 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1nji h GLU 68 CO 0.01 0.00 -0.17 -0.09 -1.00 0.00 0.00 179.01 177.76 1nji h ARG 69 N 0.00 -0.45 -0.45 2.33 9.65 -0.97 -2.33 114.38 122.16 1nji h ARG 69 Ca 0.05 0.03 0.04 0.00 -1.10 0.00 0.00 59.98 59.00 1nji h ARG 69 Cb 0.27 0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 28.91 1nji h ARG 69 CO -0.00 -0.13 0.21 0.00 2.80 0.00 0.00 179.97 182.86 1nji h ALA 70 N -0.57 0.56 -0.81 2.80 0.00 -0.26 -0.84 119.26 120.15 1nji h ALA 70 Ca -0.05 0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.04 1nji h ALA 70 Cb 0.53 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.18 1nji h ALA 70 CO 0.08 -0.15 0.38 -0.07 0.00 0.00 0.00 179.25 179.49 1nji h LEU 71 N 0.43 0.42 0.00 0.00 3.38 -0.87 0.74 115.31 119.40 1nji h LEU 71 Ca 0.20 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1nji h LEU 71 Cb 0.13 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1nji h LEU 71 CO -0.15 0.17 0.00 0.47 0.09 0.00 0.00 178.44 179.01 1nji n ASP 72 N -4.93 0.00 -0.13 -0.43 8.00 -0.32 -5.10 116.55 113.64 1nji n ASP 72 Ca 0.16 -0.10 0.02 0.00 0.71 0.00 0.00 54.79 55.58 1nji n ASP 72 Cb 0.43 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.55 1nji n ASP 72 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28