#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1c s ALA 1040N 0.00 2.81 0.08 4.61 0.00 -1.26 -5.16 121.76 122.85 3h1c s ALA 1040Ca 0.00 -2.00 0.08 0.00 0.00 0.00 0.00 51.96 50.05 3h1c s ALA 1040Cb 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 3h1c s ALA 1040CO 0.00 0.13 -0.18 0.00 0.00 0.00 0.00 175.76 175.71 3h1c s ALA 1041N -2.62 2.63 0.00 0.00 0.00 -1.26 -4.89 121.76 115.62 3h1c s ALA 1041Ca 0.31 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.98 3h1c s ALA 1041Cb 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.44 3h1c s ALA 1041CO 0.15 0.58 0.00 0.41 0.00 0.00 0.00 175.76 176.91 3h1c n GLY 1042N 1.12 1.85 0.29 0.00 0.00 -1.26 -4.92 105.19 102.28 3h1c n GLY 1042Ca -0.16 -1.63 0.19 0.00 0.00 0.00 0.00 46.02 44.42 3h1c n GLY 1042CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3h1c h GLY 1043N 0.00 0.00 2.00 -0.02 0.00 -2.01 -2.60 103.07 100.44 3h1c h GLY 1043Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 3h1c h GLY 1043CO 0.00 0.00 -0.32 1.12 0.00 0.00 0.00 176.54 177.34 3h1c h HIS 1044N 0.00 0.00 -0.28 5.60 -0.00 -2.00 -3.21 115.15 115.26 3h1c h HIS 1044Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3h1c h HIS 1044Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.79 3h1c h HIS 1044CO 0.00 0.32 0.00 0.25 -0.00 0.00 0.00 177.93 178.50 3h1c n THR 1045N -3.30 0.37 -2.00 6.12 -2.24 -0.98 -4.92 114.28 107.33 3h1c n THR 1045Ca 0.01 -0.40 -0.42 0.00 -2.27 0.00 0.00 64.05 60.98 3h1c n THR 1045Cb 0.56 0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 68.99 3h1c n THR 1045CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h1c s ALA 1046N -1.63 3.71 0.11 6.98 0.00 -1.22 -4.93 121.76 124.78 3h1c s ALA 1046Ca 0.23 1.26 -0.12 0.00 0.00 0.00 0.00 51.96 53.33 3h1c s ALA 1046Cb 0.12 -3.61 -0.13 0.00 0.00 0.00 0.00 23.12 19.50 3h1c s ALA 1046CO 0.17 -0.80 1.33 1.79 0.00 0.00 0.00 175.76 178.25 3h1c h THR 1047N 4.24 1.28 -3.19 0.00 1.35 -1.93 -3.43 112.91 111.23 3h1c h THR 1047Ca -0.42 -1.92 -0.65 0.00 -0.55 0.00 0.00 66.41 62.87 3h1c h THR 1047Cb 1.20 1.90 -0.34 0.00 -1.73 0.00 0.00 68.15 69.18 3h1c h THR 1047CO 0.90 0.61 -0.86 -1.00 -0.25 0.00 0.00 175.52 174.93 3h1c s HIS 1048N -3.84 2.51 -0.07 4.73 3.76 -1.26 -5.12 115.29 116.01 3h1c s HIS 1048Ca -0.10 -1.30 0.00 0.00 -0.15 0.00 0.00 55.06 53.51 3h1c s HIS 1048Cb 0.09 -1.74 0.02 0.00 1.11 0.00 0.00 32.58 32.07 3h1c s HIS 1048CO 0.90 -0.62 -0.05 -1.58 -0.85 0.00 0.00 174.74 172.55 3h1c s HIS 1049N 0.96 0.93 -0.04 1.40 5.04 -1.26 -5.13 115.29 117.19 3h1c s HIS 1049Ca -0.05 -0.32 0.02 0.00 -1.54 0.00 0.00 55.06 53.17 3h1c s HIS 1049Cb -0.15 -0.85 0.01 0.00 0.04 0.00 0.00 32.58 31.64 3h1c s HIS 1049CO -0.04 -0.29 -0.07 0.00 -2.34 0.00 0.00 174.74 172.00 3h1c s ALA 1050N 1.32 0.75 0.07 1.58 0.00 -1.26 -5.15 121.76 119.06 3h1c s ALA 1050Ca -0.04 -0.18 0.09 0.00 0.00 0.00 0.00 51.96 51.84 3h1c s ALA 1050Cb -0.14 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 3h1c s ALA 1050CO -0.02 0.06 -0.25 0.45 0.00 0.00 0.00 175.76 175.99 3h1c s SER 1051N 0.57 3.06 -0.04 0.00 0.15 -1.26 -5.15 113.70 111.04 3h1c s SER 1051Ca -0.08 -0.62 -0.05 0.00 0.70 0.00 0.00 55.95 55.90 3h1c s SER 1051Cb -0.12 -0.25 0.01 0.00 -1.71 0.00 0.00 66.02 63.95 3h1c s SER 1051CO 0.01 0.22 0.13 0.00 1.20 0.00 0.00 173.24 174.79 3h1c s ALA 1052N -0.88 -0.31 0.20 5.45 0.00 -1.26 -5.16 121.76 119.80 3h1c s ALA 1052Ca 0.11 0.22 -0.14 0.00 0.00 0.00 0.00 51.96 52.15 3h1c s ALA 1052Cb -0.10 -0.13 -0.07 0.00 0.00 0.00 0.00 23.12 22.82 3h1c s ALA 1052CO 0.03 -0.10 0.59 0.00 0.00 0.00 0.00 175.76 176.28 3h1c s ALA 1053N -0.34 3.52 0.20 0.00 0.00 -1.26 -5.04 121.76 118.84 3h1c s ALA 1053Ca -0.04 -0.12 -0.31 0.00 0.00 0.00 0.00 51.96 51.49 3h1c s ALA 1053Cb -0.03 -2.56 -0.11 0.00 0.00 0.00 0.00 23.12 20.42 3h1c s ALA 1053CO 0.00 0.44 1.59 -1.25 0.00 0.00 0.00 175.76 176.55 3h1c s PRO 1054N -2.34 4.19 0.21 0.00 0.04 -1.26 -4.99 135.00 130.85 3h1c s PRO 1054Ca 0.43 2.44 -0.19 0.00 0.04 0.00 0.00 61.00 63.72 3h1c s PRO 1054Cb -0.13 -3.12 0.03 0.00 0.04 0.00 0.00 34.50 31.32 3h1c s PRO 1054CO 0.20 -0.62 0.58 0.00 0.04 0.00 0.00 177.00 177.20 3h1c s ALA 1055N 0.88 -1.07 0.08 8.56 0.00 -1.26 -5.15 121.76 123.81 3h1c s ALA 1055Ca 0.69 -0.17 -0.31 0.00 0.00 0.00 0.00 51.96 52.17 3h1c s ALA 1055Cb -0.45 0.87 -0.07 0.00 0.00 0.00 0.00 23.12 23.47 3h1c s ALA 1055CO 0.35 -0.86 1.31 0.50 0.00 0.00 0.00 175.76 177.05 3h1c s ARG 1056N -3.87 4.36 0.85 0.00 3.52 -1.26 -5.00 118.95 117.55 3h1c s ARG 1056Ca 0.09 1.94 -0.12 0.00 -0.13 0.00 0.00 55.73 57.51 3h1c s ARG 1056Cb -0.02 -3.31 0.11 0.00 -1.56 0.00 0.00 34.95 30.17 3h1c s ARG 1056CO -0.01 -0.37 1.18 -2.14 -0.81 0.00 0.00 175.30 173.15 3h1c s PRO 1057N 1.17 1.36 -0.18 5.12 0.02 -1.26 -4.96 135.00 136.27 3h1c s PRO 1057Ca 0.62 1.67 -0.29 0.00 0.02 0.00 0.00 61.00 63.02 3h1c s PRO 1057Cb -0.33 -1.75 -0.01 0.00 0.02 0.00 0.00 34.50 32.42 3h1c s PRO 1057CO 0.29 -2.40 1.29 -0.65 -0.33 0.00 0.00 177.00 175.21 3h1c s GLN 1058N -4.37 4.17 0.00 5.54 1.11 -1.26 -5.35 119.66 119.50 3h1c s GLN 1058Ca 0.70 1.62 0.24 0.00 0.01 0.00 0.00 55.36 57.93 3h1c s GLN 1058Cb -0.26 -3.80 1.42 0.00 -1.01 0.00 0.00 33.01 29.36 3h1c s GLN 1058CO 0.54 -0.79 1.78 -0.35 0.01 0.00 0.00 175.29 176.48