#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 0.59 0.12 4.61 0.00 -1.26 -5.16 121.76 120.66 3h1c s ALA 1040Ca 0.00 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.24 3h1c s ALA 1040Cb 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 3h1c s ALA 1040CO 0.00 -0.01 0.20 0.00 0.00 0.00 0.00 175.76 175.95 3h1c s ALA 1041N -1.31 3.82 0.00 0.00 0.00 -1.26 -4.82 121.76 118.19 3h1c s ALA 1041Ca -0.09 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.85 3h1c s ALA 1041Cb -0.10 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.38 3h1c s ALA 1041CO 0.00 0.64 0.00 0.41 0.00 0.00 0.00 175.76 176.81 3h1c n GLY 1042N -0.13 1.88 0.23 0.00 0.00 -1.26 -4.90 105.19 101.00 3h1c n GLY 1042Ca -0.07 -1.90 0.11 0.00 0.00 0.00 0.00 46.02 44.16 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 -3.05 103.07 99.99 3h1c h GLY 1043Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 3h1c h GLY 1043CO 0.00 0.00 -0.23 1.12 0.00 0.00 0.00 176.54 177.43 3h1c h HIS 1044N 0.00 0.00 -0.40 5.60 2.07 -1.98 -3.15 115.15 117.28 3h1c h HIS 1044Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3h1c h HIS 1044Cb 0.68 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.66 3h1c h HIS 1044CO 0.00 0.23 0.00 0.25 -3.07 0.00 0.00 177.93 175.34 3h1c n THR 1045N -3.21 1.44 -2.26 6.12 -2.24 -1.15 -4.93 114.28 108.05 3h1c n THR 1045Ca 0.02 -0.82 -0.42 0.00 -2.27 0.00 0.00 64.05 60.56 3h1c n THR 1045Cb 0.56 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.62 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 -1.90 3.55 -0.00 6.98 0.00 -1.19 -4.92 121.76 124.27 3h1c s ALA 1046Ca 0.34 0.90 0.28 0.00 0.00 0.00 0.00 51.96 53.48 3h1c s ALA 1046Cb 0.24 -3.56 0.98 0.00 0.00 0.00 0.00 23.12 20.78 3h1c s ALA 1046CO 0.14 -0.78 1.84 0.00 0.00 0.00 0.00 175.76 176.96 3h1c h THR 1047N 4.74 0.21 -3.30 0.00 1.03 -1.93 -3.41 112.91 110.25 3h1c h THR 1047Ca -0.39 -0.87 -0.46 0.00 -0.01 0.00 0.00 66.41 64.68 3h1c h THR 1047Cb 1.19 1.72 -0.36 0.00 -1.07 0.00 0.00 68.15 69.63 3h1c h THR 1047CO 0.88 0.09 -0.78 -1.00 -0.01 0.00 0.00 175.52 174.70 3h1c s HIS 1048N -3.54 0.99 -0.08 0.00 3.76 -1.26 -5.14 115.29 110.02 3h1c s HIS 1048Ca 0.02 -0.37 0.02 0.00 -0.15 0.00 0.00 55.06 54.58 3h1c s HIS 1048Cb 0.09 -0.91 0.01 0.00 1.11 0.00 0.00 32.58 32.88 3h1c s HIS 1048CO 0.60 -0.34 -0.13 -1.58 -0.85 0.00 0.00 174.74 172.44 3h1c s HIS 1049N 1.49 1.65 -0.12 1.40 2.46 -1.26 -5.13 115.29 115.79 3h1c s HIS 1049Ca -0.01 -0.69 -0.08 0.00 0.47 0.00 0.00 55.06 54.76 3h1c s HIS 1049Cb -0.13 -1.21 0.04 0.00 -0.13 0.00 0.00 32.58 31.15 3h1c s HIS 1049CO -0.04 -0.36 0.29 0.00 -2.47 0.00 0.00 174.74 172.15 3h1c s ALA 1050N 0.85 -0.69 -0.00 1.58 0.00 -1.26 -5.17 121.76 117.07 3h1c s ALA 1050Ca -0.11 1.01 -0.03 0.00 0.00 0.00 0.00 51.96 52.84 3h1c s ALA 1050Cb -0.15 -0.62 -0.00 0.00 0.00 0.00 0.00 23.12 22.34 3h1c s ALA 1050CO 0.01 -0.19 0.05 -1.54 0.00 0.00 0.00 175.76 174.10 3h1c s SER 1051N 0.88 0.06 0.02 0.00 1.04 -1.26 -5.17 113.70 109.28 3h1c s SER 1051Ca -0.06 -0.17 0.02 0.00 0.48 0.00 0.00 55.95 56.21 3h1c s SER 1051Cb -0.07 0.14 -0.01 0.00 0.10 0.00 0.00 66.02 66.18 3h1c s SER 1051CO -0.06 -0.21 -0.06 0.00 0.98 0.00 0.00 173.24 173.89 3h1c s ALA 1052N -0.85 0.49 0.41 5.32 0.00 -1.26 -5.15 121.76 120.71 3h1c s ALA 1052Ca -0.09 -0.50 -0.23 0.00 0.00 0.00 0.00 51.96 51.13 3h1c s ALA 1052Cb -0.06 -0.03 -0.09 0.00 0.00 0.00 0.00 23.12 22.95 3h1c s ALA 1052CO 0.00 0.04 1.04 0.00 0.00 0.00 0.00 175.76 176.83 3h1c s ALA 1053N -0.78 3.06 -0.02 0.00 0.00 -1.26 -4.97 121.76 117.79 3h1c s ALA 1053Ca -0.04 0.66 -0.30 0.00 0.00 0.00 0.00 51.96 52.28 3h1c s ALA 1053Cb -0.06 -3.26 -0.08 0.00 0.00 0.00 0.00 23.12 19.72 3h1c s ALA 1053CO 0.00 -0.18 1.95 -1.25 0.00 0.00 0.00 175.76 176.28 3h1c s PRO 1054N -2.60 3.99 0.19 0.00 0.04 -1.26 -4.96 135.00 130.40 3h1c s PRO 1054Ca 0.59 2.44 -0.09 0.00 0.04 0.00 0.00 61.00 63.98 3h1c s PRO 1054Cb -0.20 -4.17 -0.01 0.00 0.04 0.00 0.00 34.50 30.16 3h1c s PRO 1054CO 0.26 -1.12 0.31 0.00 0.04 0.00 0.00 177.00 176.49 3h1c s ALA 1055N 4.98 0.09 0.09 8.56 0.00 -1.26 -5.14 121.76 129.08 3h1c s ALA 1055Ca 0.88 -0.99 -0.31 0.00 0.00 0.00 0.00 51.96 51.54 3h1c s ALA 1055Cb -0.39 0.98 -0.08 0.00 0.00 0.00 0.00 23.12 23.64 3h1c s ALA 1055CO 0.39 -0.69 1.41 0.50 0.00 0.00 0.00 175.76 177.37 3h1c s ARG 1056N -4.01 4.30 0.52 0.00 3.52 -1.26 -5.00 118.95 117.03 3h1c s ARG 1056Ca 0.21 2.08 -0.21 0.00 -0.13 0.00 0.00 55.73 57.68 3h1c s ARG 1056Cb 0.03 -3.33 -0.06 0.00 -1.56 0.00 0.00 34.95 30.03 3h1c s ARG 1056CO 0.04 -0.48 1.21 -1.25 -0.81 0.00 0.00 175.30 174.00 3h1c s PRO 1057N 1.43 3.41 -0.28 5.12 0.04 -1.26 -4.97 135.00 138.50 3h1c s PRO 1057Ca 0.65 1.86 -0.29 0.00 0.04 0.00 0.00 61.00 63.26 3h1c s PRO 1057Cb -0.36 -2.22 -0.01 0.00 0.04 0.00 0.00 34.50 31.95 3h1c s PRO 1057CO 0.30 -0.86 1.43 1.14 0.04 0.00 0.00 177.00 179.05 3h1c s GLN 1058N -2.95 3.85 0.00 4.56 -2.07 -1.26 -5.35 119.66 116.43 3h1c s GLN 1058Ca 0.69 1.39 0.22 0.00 -1.82 0.00 0.00 55.36 55.84 3h1c s GLN 1058Cb -0.31 -3.95 1.34 0.00 -1.09 0.00 0.00 33.01 29.01 3h1c s GLN 1058CO 0.36 -1.21 1.72 -0.35 -1.32 0.00 0.00 175.29 174.48