#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jjs h LEU 6 N 0.00 0.75 -0.20 0.00 -0.00 -1.95 -3.11 115.31 110.79 1jjs h LEU 6 Ca 0.00 -0.34 -0.19 0.00 -0.00 0.00 0.00 57.88 57.35 1jjs h LEU 6 Cb 0.00 -0.20 0.01 0.00 -0.00 0.00 0.00 40.66 40.46 1jjs h LEU 6 CO 0.00 0.91 -0.63 0.06 -0.00 0.00 0.00 178.44 178.79 1jjs h GLN 7 N 0.57 0.78 -0.65 1.13 -0.00 -2.01 -3.27 115.11 111.66 1jjs h GLN 7 Ca 0.11 -0.57 -0.02 0.00 -0.00 0.00 0.00 58.65 58.17 1jjs h GLN 7 Cb 0.56 0.10 -0.03 0.00 -0.00 0.00 0.00 27.48 28.11 1jjs h GLN 7 CO 0.03 1.19 0.34 0.38 -0.00 0.00 0.00 178.83 180.77 1jjs h ASP 8 N 0.52 0.82 -0.78 0.06 3.04 -2.00 -2.53 116.42 115.55 1jjs h ASP 8 Ca -0.02 -0.07 -0.02 0.00 -3.24 0.00 0.00 57.03 53.67 1jjs h ASP 8 Cb 1.25 -0.21 -0.04 0.00 -1.04 0.00 0.00 39.33 39.29 1jjs h ASP 8 CO 0.13 0.68 0.39 0.17 -2.04 0.00 0.00 179.24 178.57 1jjs h LEU 9 N 0.92 1.01 -0.21 0.15 8.10 -1.59 0.56 115.31 124.24 1jjs h LEU 9 Ca 0.23 -0.11 -0.03 0.00 0.11 0.00 0.00 57.88 58.09 1jjs h LEU 9 Cb 0.06 -0.26 -0.01 0.00 -0.44 0.00 0.00 40.66 40.01 1jjs h LEU 9 CO -0.03 0.84 0.03 -0.07 -4.11 0.00 0.00 178.44 175.09 1jjs h LEU 10 N 1.11 0.34 -0.45 0.17 3.38 -1.52 -0.13 115.31 118.22 1jjs h LEU 10 Ca 0.27 -0.27 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1jjs h LEU 10 Cb 0.09 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1jjs h LEU 10 CO -0.04 0.53 -0.49 0.08 0.09 0.00 0.00 178.44 178.61 1jjs h ARG 11 N 0.15 0.74 0.03 1.13 0.11 -1.30 -0.56 114.38 114.68 1jjs h ARG 11 Ca 0.06 -0.44 -0.07 0.00 0.10 0.00 0.00 59.98 59.63 1jjs h ARG 11 Cb 0.33 0.04 0.01 0.00 1.11 0.00 0.00 29.97 31.46 1jjs h ARG 11 CO 0.01 1.06 -0.31 0.00 0.10 0.00 0.00 179.97 180.83 1jjs h THR 12 N 0.59 1.60 -0.17 0.08 1.03 -0.89 -3.35 112.91 111.81 1jjs h THR 12 Ca 0.03 -2.17 -0.14 0.00 -0.01 0.00 0.00 66.41 64.11 1jjs h THR 12 Cb 1.06 3.01 0.00 0.00 -1.07 0.00 0.00 68.15 71.15 1jjs h THR 12 CO 0.10 0.59 -0.45 -0.07 -0.01 0.00 0.00 175.52 175.68 1jjs h LEU 13 N -0.59 0.69 -2.44 0.00 4.07 -1.13 -3.48 115.31 112.42 1jjs h LEU 13 Ca -0.05 -0.58 -0.16 0.00 0.08 0.00 0.00 57.88 57.17 1jjs h LEU 13 Cb 1.14 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.68 1jjs h LEU 13 CO 0.06 1.15 -0.38 0.29 -1.08 0.00 0.00 178.44 178.48 1jjs n LYS 14 N -4.22 -0.53 -3.46 1.13 4.76 -0.22 -0.81 118.16 114.80 1jjs n LYS 14 Ca -0.07 0.27 -0.19 0.00 -2.87 0.00 0.00 58.31 55.45 1jjs n LYS 14 Cb 0.57 -0.73 0.03 0.00 -1.84 0.00 0.00 35.03 33.06 1jjs n LYS 14 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1jjs n SER 15 N -0.43 -6.14 0.06 4.39 7.64 -1.26 -4.92 113.62 112.97 1jjs n SER 15 Ca -0.10 -0.71 -0.13 0.00 1.01 0.00 0.00 58.87 58.94 1jjs n SER 15 Cb 0.23 -3.93 -0.08 0.00 -1.01 0.00 0.00 64.21 59.42 1jjs n SER 15 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1jjs h PRO 16 N -0.90 -0.10 0.00 1.43 0.11 -1.34 -3.34 132.00 127.86 1jjs h PRO 16 Ca -0.48 0.01 -0.33 0.00 0.11 0.00 0.00 66.00 65.31 1jjs h PRO 16 Cb 1.26 0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.33 1jjs h PRO 16 CO 0.41 0.09 -2.25 0.43 -0.21 0.00 0.00 178.00 176.47 1jjs n SER 17 N -5.05 0.49 -2.77 -2.05 7.64 -1.26 -5.05 113.62 105.57 1jjs n SER 17 Ca -0.08 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.72 1jjs n SER 17 Cb 0.14 0.95 0.04 0.00 -1.01 0.00 0.00 64.21 64.33 1jjs n SER 17 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1jjs n SER 18 N -2.67 -5.70 -1.13 6.43 2.88 -1.26 -4.91 113.62 107.25 1jjs n SER 18 Ca -0.30 -0.40 -0.01 0.00 -1.33 0.00 0.00 58.87 56.83 1jjs n SER 18 Cb 1.09 -4.08 0.11 0.00 -0.75 0.00 0.00 64.21 60.59 1jjs n SER 18 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1jjs n PRO 19 N -2.47 2.03 -1.21 -1.46 -0.04 -1.26 -5.19 135.00 125.40 1jjs n PRO 19 Ca -0.04 -1.06 -0.07 0.00 -0.04 0.00 0.00 63.50 62.29 1jjs n PRO 19 Cb 0.57 -1.64 -0.03 0.00 -0.04 0.00 0.00 33.50 32.36 1jjs n PRO 19 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1jjs n GLN 20 N 0.12 -0.55 -0.35 0.54 7.27 -1.26 -5.28 117.38 117.87 1jjs n GLN 20 Ca 0.13 0.73 0.10 0.00 0.07 0.00 0.00 57.00 58.03 1jjs n GLN 20 Cb 0.69 -4.54 0.29 0.00 2.41 0.00 0.00 30.24 29.09 1jjs n GLN 20 CO 0.00 0.00 0.00 -0.24 0.07 0.00 0.00 177.06 176.89 1jjs h VAL 25 N 0.00 0.82 -0.04 1.69 3.04 -1.94 -3.56 116.25 116.25 1jjs h VAL 25 Ca -0.15 -0.30 0.01 0.00 -1.01 0.00 0.00 66.70 65.26 1jjs h VAL 25 Cb 0.49 -0.12 -0.00 0.00 -2.01 0.00 0.00 31.29 29.65 1jjs h VAL 25 CO 0.21 0.16 0.05 -0.07 -1.01 0.00 0.00 177.57 176.91 1jjs h LEU 26 N 0.87 0.00 -0.25 3.16 4.07 -1.99 -2.76 115.31 118.41 1jjs h LEU 26 Ca 0.53 0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.54 1jjs h LEU 26 Cb 0.69 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.38 1jjs h LEU 26 CO -0.31 0.00 -0.10 -0.55 -1.08 0.00 0.00 178.44 176.40 1jjs h ASN 27 N 0.00 -0.34 0.03 -0.43 -1.07 -2.04 0.10 115.58 111.82 1jjs h ASN 27 Ca 0.02 0.09 -0.16 0.00 0.07 0.00 0.00 56.30 56.32 1jjs h ASN 27 Cb 0.11 0.20 -0.01 0.00 -2.07 0.00 0.00 38.32 36.56 1jjs h ASN 27 CO -0.00 -0.13 -0.54 0.40 0.07 0.00 0.00 177.43 177.23 1jjs h ILE 28 N -0.06 1.32 -0.81 6.14 2.04 -1.97 -2.92 117.51 121.25 1jjs h ILE 28 Ca 0.13 -1.79 0.15 0.00 1.00 0.00 0.00 64.86 64.35 1jjs h ILE 28 Cb 0.25 1.76 -0.06 0.00 -0.74 0.00 0.00 36.82 38.04 1jjs h ILE 28 CO -0.29 0.56 0.53 -0.07 0.00 0.00 0.00 178.15 178.88 1jjs h LEU 29 N 0.43 0.48 -2.00 1.44 3.38 -1.07 0.23 115.31 118.20 1jjs h LEU 29 Ca 0.01 0.03 0.22 0.00 0.09 0.00 0.00 57.88 58.23 1jjs h LEU 29 Cb 1.08 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 1jjs h LEU 29 CO 0.10 0.24 0.55 0.07 0.09 0.00 0.00 178.44 179.49 1jjs h LYS 30 N 0.50 0.00 0.42 1.13 5.09 -0.64 0.11 116.57 123.19 1jjs h LYS 30 Ca 0.40 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 61.12 1jjs h LYS 30 Cb 0.83 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.17 1jjs h LYS 30 CO -0.15 0.00 -0.20 0.77 -2.09 0.00 0.00 179.45 177.78 1jjs h SER 31 N 0.00 -0.48 0.00 7.07 0.02 -0.69 -3.48 113.55 116.00 1jjs h SER 31 Ca 0.36 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1jjs h SER 31 Cb 1.45 0.12 0.00 0.00 0.14 0.00 0.00 62.40 64.12 1jjs h SER 31 CO -0.00 -0.12 0.00 0.59 -1.14 0.00 0.00 176.83 176.15 1jjs n ASN 32 N -5.22 0.00 0.01 3.07 3.02 0.38 -4.99 115.26 111.54 1jjs n ASN 32 Ca -0.10 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.37 1jjs n ASN 32 Cb 0.29 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.40 1jjs n ASN 32 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1jjs h PRO 33 N 2.96 -0.14 0.00 3.52 0.13 -1.87 -1.90 132.00 134.70 1jjs h PRO 33 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1jjs h PRO 33 Cb 0.00 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 1jjs h PRO 33 CO 0.00 0.24 -0.07 -0.56 -0.23 0.00 0.00 178.00 177.38 1jjs h GLN 34 N -0.97 0.00 0.10 0.86 3.07 -1.94 -3.35 115.11 112.89 1jjs h GLN 34 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.72 1jjs h GLN 34 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.01 1jjs h GLN 34 CO 0.02 0.00 -0.05 -0.07 0.09 0.00 0.00 178.83 178.83 1jjs h LEU 35 N -0.41 -0.11 -1.30 0.06 3.38 -1.88 -2.75 115.31 112.30 1jjs h LEU 35 Ca 0.00 -0.45 -0.05 0.00 0.09 0.00 0.00 57.88 57.47 1jjs h LEU 35 Cb 0.07 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1jjs h LEU 35 CO 0.00 0.53 -0.07 -0.03 0.09 0.00 0.00 178.44 178.95 1jjs h MET 36 N -0.90 0.38 0.16 1.13 4.05 -1.82 -1.11 114.93 116.83 1jjs h MET 36 Ca -0.01 -0.09 -0.01 0.00 -0.28 0.00 0.00 59.70 59.31 1jjs h MET 36 Cb 0.55 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.30 1jjs h MET 36 CO 0.02 0.47 -0.07 0.00 0.23 0.00 0.00 176.91 177.56 1jjs h ALA 37 N 1.56 -0.21 0.11 0.39 0.00 -1.46 -3.29 119.26 116.37 1jjs h ALA 37 Ca 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1jjs h ALA 37 Cb 0.37 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1jjs h ALA 37 CO 0.02 -0.38 -0.05 0.00 0.00 0.00 0.00 179.25 178.83 1jjs h ALA 38 N 0.03 -0.15 0.00 0.00 0.00 -1.38 -3.36 119.26 114.41 1jjs h ALA 38 Ca -0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1jjs h ALA 38 Cb 0.49 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1jjs h ALA 38 CO 0.03 -0.17 -0.00 0.27 0.00 0.00 0.00 179.25 179.39 1jjs h PHE 39 N -0.98 -0.00 -0.23 0.00 -5.15 -1.41 -2.91 116.94 106.26 1jjs h PHE 39 Ca -0.02 -0.00 0.02 0.00 -0.20 0.00 0.00 57.97 57.78 1jjs h PHE 39 Cb 0.41 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.57 1jjs h PHE 39 CO 0.08 0.67 0.15 -0.84 -2.00 0.00 0.00 178.31 176.37 1jjs h ILE 40 N -1.00 1.00 -0.00 0.88 3.07 -1.67 -1.40 117.51 118.38 1jjs h ILE 40 Ca -0.00 -0.07 -0.18 0.00 1.55 0.00 0.00 64.86 66.16 1jjs h ILE 40 Cb 0.67 0.77 -0.02 0.00 -0.27 0.00 0.00 36.82 37.98 1jjs h ILE 40 CO 0.00 0.04 -0.83 0.11 -1.05 0.00 0.00 178.15 176.42 1jjs h LYS 41 N 0.21 0.11 -0.69 0.16 1.79 -1.70 -3.09 116.57 113.36 1jjs h LYS 41 Ca 0.09 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1jjs h LYS 41 Cb 0.12 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1jjs h LYS 41 CO -0.02 0.87 0.00 0.00 -1.08 0.00 0.00 179.45 179.23 1jjs n GLN 42 N -3.64 3.67 0.00 3.15 10.64 -0.56 -2.64 117.38 128.00 1jjs n GLN 42 Ca -0.02 -2.23 0.00 0.00 -1.83 0.00 0.00 57.00 52.91 1jjs n GLN 42 Cb 0.78 -2.00 0.00 0.00 -0.86 0.00 0.00 30.24 28.16 1jjs n GLN 42 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12 1jjs n ARG 43 N 0.50 1.18 0.00 2.61 -4.01 -1.00 -4.70 116.66 111.24 1jjs n ARG 43 Ca 0.20 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 57.01 1jjs n ARG 43 Cb 0.89 -0.88 0.00 0.00 -3.04 0.00 0.00 32.46 29.43 1jjs n ARG 43 CO 0.00 0.00 0.00 -2.37 -3.04 0.00 0.00 177.63 172.22 1jjs n THR 44 N -2.01 0.00 0.00 8.89 5.66 -1.17 -5.06 114.28 120.59 1jjs n THR 44 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1jjs n THR 44 Cb 0.38 -0.70 0.00 0.00 -1.55 0.00 0.00 70.33 68.45 1jjs n THR 44 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jjs n ALA 45 N -1.78 0.00 0.31 1.79 0.00 -1.08 -4.58 120.51 115.16 1jjs n ALA 45 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1jjs n ALA 45 Cb 0.39 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.53 1jjs n ALA 45 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1jjs h LYS 46 N 0.00 0.00 -4.18 0.00 1.79 -1.91 -3.25 116.57 109.03 1jjs h LYS 46 Ca 0.00 0.00 -0.69 0.00 -2.18 0.00 0.00 60.65 57.78 1jjs h LYS 46 Cb 0.00 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 1jjs h LYS 46 CO 0.00 0.00 2.88 0.66 -1.08 0.00 0.00 179.45 181.91 1jjs n TYR 47 N -2.91 3.10 -2.57 -1.35 4.02 -1.26 -4.90 117.16 111.29 1jjs n TYR 47 Ca -0.01 -2.65 -0.43 0.00 -0.01 0.00 0.00 57.90 54.81 1jjs n TYR 47 Cb 0.50 -2.33 -0.02 0.00 -0.02 0.00 0.00 39.34 37.48 1jjs n TYR 47 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1jjs s VAL 48 N 3.77 4.44 -0.33 -0.72 -7.23 -1.23 -4.51 120.40 114.59 1jjs s VAL 48 Ca 0.50 1.69 0.06 0.00 -1.81 0.00 0.00 61.98 62.42 1jjs s VAL 48 Cb 0.14 -4.28 0.46 0.00 0.56 0.00 0.00 36.38 33.26 1jjs s VAL 48 CO -0.03 -0.36 1.23 0.00 -0.31 0.00 0.00 175.10 175.64 1jjs n ALA 49 N 6.84 5.11 -0.52 1.32 0.00 -1.26 -5.18 120.51 126.82 1jjs n ALA 49 Ca 0.13 -3.82 0.00 0.00 0.00 0.00 0.00 53.44 49.74 1jjs n ALA 49 Cb 0.46 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1jjs n ALA 49 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59