#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 1.02 -0.41 0.00 7.12 -1.97 -3.20 115.31 117.88 1jjs h LEU 6 Ca 0.00 -0.40 -0.18 0.00 0.13 0.00 0.00 57.88 57.43 1jjs h LEU 6 Cb 0.00 -0.28 -0.00 0.00 -0.53 0.00 0.00 40.66 39.85 1jjs h LEU 6 CO 0.00 1.20 -0.61 -0.61 -0.13 0.00 0.00 178.44 178.28 1jjs h GLN 7 N 0.84 0.62 -0.99 1.25 5.75 -2.02 -3.25 115.11 117.31 1jjs h GLN 7 Ca 0.10 -0.43 0.08 0.00 -0.15 0.00 0.00 58.65 58.25 1jjs h GLN 7 Cb 0.82 0.06 -0.07 0.00 1.07 0.00 0.00 27.48 29.36 1jjs h GLN 7 CO 0.07 1.05 0.64 0.38 -2.65 0.00 0.00 178.83 178.31 1jjs h ASP 8 N 0.46 1.00 -0.98 -0.69 3.04 -2.00 -2.01 116.42 115.24 1jjs h ASP 8 Ca -0.01 0.02 0.06 0.00 -3.24 0.00 0.00 57.03 53.87 1jjs h ASP 8 Cb 1.19 -0.19 -0.07 0.00 -1.04 0.00 0.00 39.33 39.22 1jjs h ASP 8 CO 0.12 0.61 0.63 0.17 -2.04 0.00 0.00 179.24 178.73 1jjs h LEU 9 N 1.12 1.00 -0.28 0.15 8.10 -1.59 0.26 115.31 124.07 1jjs h LEU 9 Ca 0.44 0.01 -0.02 0.00 0.11 0.00 0.00 57.88 58.42 1jjs h LEU 9 Cb 0.24 -0.20 -0.01 0.00 -0.44 0.00 0.00 40.66 40.25 1jjs h LEU 9 CO -0.20 0.64 0.08 -0.07 -4.11 0.00 0.00 178.44 174.78 1jjs h LEU 10 N 1.14 0.42 -0.42 0.17 3.38 -1.50 0.44 115.31 118.94 1jjs h LEU 10 Ca 0.42 -0.22 -0.16 0.00 0.09 0.00 0.00 57.88 58.02 1jjs h LEU 10 Cb 0.16 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1jjs h LEU 10 CO -0.17 0.52 -0.36 0.08 0.09 0.00 0.00 178.44 178.60 1jjs h ARG 11 N 0.29 0.93 0.03 1.13 0.11 -1.23 -0.24 114.38 115.40 1jjs h ARG 11 Ca 0.09 -0.48 -0.05 0.00 0.10 0.00 0.00 59.98 59.64 1jjs h ARG 11 Cb 0.26 0.01 0.01 0.00 1.11 0.00 0.00 29.97 31.36 1jjs h ARG 11 CO -0.00 1.13 -0.21 0.00 0.10 0.00 0.00 179.97 180.99 1jjs h THR 12 N 0.77 1.67 -0.08 0.08 1.03 -0.94 -3.37 112.91 112.08 1jjs h THR 12 Ca 0.07 -2.25 -0.13 0.00 -0.01 0.00 0.00 66.41 64.08 1jjs h THR 12 Cb 0.95 3.18 0.01 0.00 -1.07 0.00 0.00 68.15 71.22 1jjs h THR 12 CO 0.09 0.60 -0.46 -0.07 -0.01 0.00 0.00 175.52 175.67 1jjs h LEU 13 N -0.75 0.55 0.00 0.00 4.07 -1.03 -3.46 115.31 114.69 1jjs h LEU 13 Ca -0.03 -0.66 0.00 0.00 0.08 0.00 0.00 57.88 57.27 1jjs h LEU 13 Cb 1.11 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.68 1jjs h LEU 13 CO 0.04 1.12 0.00 0.29 -1.08 0.00 0.00 178.44 178.81 1jjs n LYS 14 N -4.29 0.00 -3.07 1.13 5.02 -0.10 -2.01 118.16 114.85 1jjs n LYS 14 Ca -0.08 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.02 1jjs n LYS 14 Cb 0.58 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.56 1jjs n LYS 14 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1jjs n SER 15 N 0.77 -0.50 -4.51 4.39 3.41 -1.26 -4.94 113.62 110.99 1jjs n SER 15 Ca 0.00 -2.94 -0.42 0.00 -0.26 0.00 0.00 58.87 55.25 1jjs n SER 15 Cb 0.00 0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 63.95 1jjs n SER 15 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1jjs s PRO 16 N -0.94 3.17 0.20 4.33 0.05 -0.85 -4.75 135.00 136.20 1jjs s PRO 16 Ca 0.34 -0.51 0.00 0.00 0.05 0.00 0.00 61.00 60.88 1jjs s PRO 16 Cb 0.22 -4.22 0.00 0.00 0.05 0.00 0.00 34.50 30.55 1jjs s PRO 16 CO -0.13 -2.01 0.00 0.43 0.05 0.00 0.00 177.00 175.34 1jjs n SER 17 N 8.66 -5.87 -4.47 6.66 7.64 -1.26 -4.68 113.62 120.30 1jjs n SER 17 Ca 0.01 0.70 -0.45 0.00 1.01 0.00 0.00 58.87 60.14 1jjs n SER 17 Cb 0.48 -2.15 -0.09 0.00 -1.01 0.00 0.00 64.21 61.43 1jjs n SER 17 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1jjs n SER 18 N 0.00 1.41 -4.72 6.43 3.41 -1.26 -4.85 113.62 114.04 1jjs n SER 18 Ca 0.00 0.14 -0.42 0.00 -0.26 0.00 0.00 58.87 58.33 1jjs n SER 18 Cb 0.00 -1.19 -0.03 0.00 -0.26 0.00 0.00 64.21 62.73 1jjs n SER 18 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1jjs s PRO 19 N 7.63 4.20 0.63 4.33 0.04 -1.26 -5.19 135.00 145.38 1jjs s PRO 19 Ca 1.17 2.41 0.19 0.00 0.04 0.00 0.00 61.00 64.80 1jjs s PRO 19 Cb -0.90 -3.18 0.85 0.00 0.04 0.00 0.00 34.50 31.31 1jjs s PRO 19 CO 0.45 -0.65 1.42 1.96 0.04 0.00 0.00 177.00 180.23 1jjs h GLN 20 N 6.95 0.00 0.00 4.56 1.08 -1.99 -3.55 115.11 122.16 1jjs h GLN 20 Ca -0.43 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.77 1jjs h GLN 20 Cb 1.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 1jjs h GLN 20 CO 0.92 0.00 0.00 1.55 -0.95 0.00 0.00 178.83 180.35 1jjs n VAL 25 N -3.00 0.00 0.24 -0.54 3.14 -1.26 -5.33 118.33 111.57 1jjs n VAL 25 Ca 0.08 0.00 0.10 0.00 -2.96 0.00 0.00 64.34 61.56 1jjs n VAL 25 Cb 0.98 0.00 0.58 0.00 -1.06 0.00 0.00 33.84 34.34 1jjs n VAL 25 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1jjs h LEU 26 N 0.00 0.00 -0.31 6.55 4.07 -1.98 -3.06 115.31 120.58 1jjs h LEU 26 Ca 0.00 0.00 0.06 0.00 0.08 0.00 0.00 57.88 58.02 1jjs h LEU 26 Cb 0.00 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.68 1jjs h LEU 26 CO 0.00 0.20 -0.05 0.78 -1.08 0.00 0.00 178.44 178.29 1jjs h ASN 27 N 0.00 -0.23 -0.03 -0.43 4.21 -1.98 0.73 115.58 117.85 1jjs h ASN 27 Ca -0.00 0.09 -0.15 0.00 1.21 0.00 0.00 56.30 57.44 1jjs h ASN 27 Cb 0.50 0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.86 1jjs h ASN 27 CO 0.03 -0.08 -0.48 0.40 -1.29 0.00 0.00 177.43 176.01 1jjs h ILE 28 N 0.03 1.31 -0.81 2.81 2.04 -1.87 -2.90 117.51 118.11 1jjs h ILE 28 Ca 0.15 -1.69 0.14 0.00 1.00 0.00 0.00 64.86 64.46 1jjs h ILE 28 Cb 0.22 1.66 -0.06 0.00 -0.74 0.00 0.00 36.82 37.90 1jjs h ILE 28 CO -0.30 0.53 0.53 -0.07 0.00 0.00 0.00 178.15 178.85 1jjs h LEU 29 N 0.46 0.52 -2.00 1.44 3.38 -1.15 0.26 115.31 118.23 1jjs h LEU 29 Ca 0.02 0.03 0.19 0.00 0.09 0.00 0.00 57.88 58.22 1jjs h LEU 29 Cb 1.01 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 1jjs h LEU 29 CO 0.09 0.27 0.50 0.07 0.09 0.00 0.00 178.44 179.46 1jjs h LYS 30 N 0.56 0.00 0.33 1.13 5.09 -0.68 0.14 116.57 123.13 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 0.76 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.09 1jjs h LYS 30 CO -0.16 0.00 -0.16 1.03 -2.09 0.00 0.00 179.45 178.07 1jjs h SER 31 N 0.00 -0.38 0.00 7.07 0.87 -0.62 -3.48 113.55 117.00 1jjs h SER 31 Ca 0.32 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1jjs h SER 31 Cb 1.31 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.37 1jjs h SER 31 CO -0.00 -0.01 0.00 0.59 -0.53 0.00 0.00 176.83 176.87 1jjs n ASN 32 N -5.15 0.00 0.03 6.23 3.02 0.48 -4.99 115.26 114.88 1jjs n ASN 32 Ca -0.10 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.39 1jjs n ASN 32 Cb 0.27 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.39 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 3.01 -0.18 0.00 3.52 0.13 -1.86 -2.87 132.00 133.75 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 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.17 1jjs h PRO 33 CO 0.00 0.10 -0.11 -0.56 -0.23 0.00 0.00 178.00 177.21 1jjs h GLN 34 N -1.00 0.00 0.11 0.86 3.07 -1.94 -3.34 115.11 112.86 1jjs h GLN 34 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.72 1jjs h GLN 34 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.92 1jjs h GLN 34 CO 0.03 0.00 -0.05 -0.07 0.09 0.00 0.00 178.83 178.83 1jjs h LEU 35 N -0.53 -0.12 -1.80 0.06 3.38 -1.89 -2.69 115.31 111.71 1jjs h LEU 35 Ca 0.00 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 1jjs h LEU 35 Cb 0.11 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1jjs h LEU 35 CO 0.00 0.51 0.04 -0.03 0.09 0.00 0.00 178.44 179.05 1jjs h MET 36 N -0.88 0.17 0.20 1.13 4.05 -1.83 -1.14 114.93 116.63 1jjs h MET 36 Ca -0.01 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 1jjs h MET 36 Cb 0.55 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.32 1jjs h MET 36 CO 0.02 0.15 -0.10 0.00 0.23 0.00 0.00 176.91 177.22 1jjs h ALA 37 N 1.88 -0.27 0.06 0.39 0.00 -1.58 -3.37 119.26 116.37 1jjs h ALA 37 Ca 0.04 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1jjs h ALA 37 Cb 0.05 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1jjs h ALA 37 CO -0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 179.25 178.84 1jjs h ALA 38 N -0.26 -0.08 0.00 0.00 0.00 -1.24 -3.38 119.26 114.30 1jjs h ALA 38 Ca -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1jjs h ALA 38 Cb 0.52 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1jjs h ALA 38 CO 0.05 -0.09 -0.06 0.27 0.00 0.00 0.00 179.25 179.42 1jjs h PHE 39 N -0.98 0.06 -0.74 0.00 -5.15 -1.44 -3.08 116.94 105.60 1jjs h PHE 39 Ca -0.01 -0.03 -0.01 0.00 -0.20 0.00 0.00 57.97 57.72 1jjs h PHE 39 Cb 0.42 -0.01 -0.04 0.00 0.22 0.00 0.00 35.95 36.55 1jjs h PHE 39 CO 0.10 0.83 0.43 -0.84 -2.00 0.00 0.00 178.31 176.83 1jjs h ILE 40 N -0.74 1.21 0.00 0.88 3.07 -1.71 -2.81 117.51 117.42 1jjs h ILE 40 Ca -0.01 -0.49 -0.07 0.00 1.55 0.00 0.00 64.86 65.84 1jjs h ILE 40 Cb 0.85 0.20 -0.01 0.00 -0.27 0.00 0.00 36.82 37.59 1jjs h ILE 40 CO 0.01 0.23 -0.36 0.11 -1.05 0.00 0.00 178.15 177.09 1jjs h LYS 41 N 1.01 0.00 -0.01 0.16 1.57 -1.72 -3.17 116.57 114.41 1jjs h LYS 41 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1jjs h LYS 41 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1jjs h LYS 41 CO -0.05 0.36 -0.02 0.00 -0.57 0.00 0.00 179.45 179.17 1jjs n GLN 42 N -3.38 1.22 -0.05 3.15 10.64 -1.07 0.02 117.38 127.92 1jjs n GLN 42 Ca 0.01 -0.43 -0.04 0.00 -1.83 0.00 0.00 57.00 54.71 1jjs n GLN 42 Cb 0.55 -1.49 -0.08 0.00 -0.86 0.00 0.00 30.24 28.36 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 -0.52 2.12 0.00 2.61 0.00 -1.18 -4.71 116.66 114.99 1jjs n ARG 43 Ca 0.20 -0.01 0.00 0.00 -0.00 0.00 0.00 57.85 58.04 1jjs n ARG 43 Cb 0.24 -1.27 0.00 0.00 -0.00 0.00 0.00 32.46 31.42 1jjs n ARG 43 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 1jjs n THR 44 N -2.35 0.00 0.00 8.89 5.66 -1.21 -5.05 114.28 120.22 1jjs n THR 44 Ca -0.16 -0.20 0.00 0.00 -3.05 0.00 0.00 64.05 60.64 1jjs n THR 44 Cb 0.80 0.70 0.00 0.00 -1.55 0.00 0.00 70.33 70.28 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 -1.26 0.00 -1.00 1.79 0.00 0.10 -4.81 120.51 115.33 1jjs n ALA 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jjs n ALA 45 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1jjs n ALA 45 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jjs n LYS 46 N 0.00 0.00 -3.73 0.00 4.76 -1.26 -4.72 118.16 113.21 1jjs n LYS 46 Ca 0.00 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.21 1jjs n LYS 46 Cb 0.00 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.20 1jjs n LYS 46 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1jjs n TYR 47 N 0.00 -0.85 -2.61 2.13 4.02 -1.26 -4.67 117.16 113.92 1jjs n TYR 47 Ca 0.00 0.15 -0.41 0.00 -0.01 0.00 0.00 57.90 57.62 1jjs n TYR 47 Cb 0.00 -1.51 -0.04 0.00 -0.02 0.00 0.00 39.34 37.78 1jjs n TYR 47 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1jjs s VAL 48 N -3.71 4.32 0.00 -0.72 1.01 -1.26 -4.43 120.40 115.60 1jjs s VAL 48 Ca 0.19 1.83 0.05 0.00 0.00 0.00 0.00 61.98 64.05 1jjs s VAL 48 Cb -0.11 -4.17 0.07 0.00 0.00 0.00 0.00 36.38 32.18 1jjs s VAL 48 CO 0.52 0.23 0.99 0.00 0.00 0.00 0.00 175.10 176.85 1jjs n ALA 49 N 3.15 2.09 0.00 5.51 0.00 -1.26 -5.17 120.51 124.84 1jjs n ALA 49 Ca 0.05 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.33 1jjs n ALA 49 Cb 0.48 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.43 1jjs n ALA 49 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59