#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctj s SER 2 N 0.00 -0.21 0.07 1.61 0.15 -1.26 -5.19 113.70 108.88 2ctj s SER 2 Ca 0.00 0.34 -0.09 0.00 0.70 0.00 0.00 55.95 56.90 2ctj s SER 2 Cb 0.00 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 2ctj s SER 2 CO 0.00 -0.11 0.19 -0.44 1.20 0.00 0.00 173.24 174.09 2ctj s SER 3 N -0.30 0.09 0.00 5.45 0.01 -1.26 -5.16 113.70 112.53 2ctj s SER 3 Ca 0.05 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 56.75 2ctj s SER 3 Cb -0.04 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.52 2ctj s SER 3 CO -0.09 -0.68 0.00 0.61 0.41 0.00 0.00 173.24 173.49 2ctj n GLY 4 N 0.17 0.89 3.51 3.44 0.00 -1.26 -5.19 105.19 106.75 2ctj n GLY 4 Ca -0.16 0.58 -0.09 0.00 0.00 0.00 0.00 46.02 46.35 2ctj n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctj s SER 5 N 0.00 -0.06 0.32 1.61 0.01 -1.26 -5.19 113.70 109.13 2ctj s SER 5 Ca 0.00 -0.92 -0.05 0.00 1.31 0.00 0.00 55.95 56.29 2ctj s SER 5 Cb 0.00 0.54 -0.00 0.00 0.21 0.00 0.00 66.02 66.77 2ctj s SER 5 CO 0.00 -1.06 0.46 -0.55 0.41 0.00 0.00 173.24 172.49 2ctj s SER 6 N -3.01 0.66 0.00 2.44 0.15 -1.26 -5.13 113.70 107.55 2ctj s SER 6 Ca 0.22 -1.37 0.00 0.00 0.70 0.00 0.00 55.95 55.50 2ctj s SER 6 Cb 0.01 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 2ctj s SER 6 CO 0.07 -1.24 0.00 0.61 1.20 0.00 0.00 173.24 173.87 2ctj n GLY 7 N -0.51 0.99 0.14 9.45 0.00 -1.26 -5.01 105.19 108.99 2ctj n GLY 7 Ca 0.00 0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.16 2ctj n GLY 7 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2ctj h SER 8 N 0.00 0.00 -4.92 1.61 0.87 -2.09 -3.47 113.55 105.56 2ctj h SER 8 Ca 0.00 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.30 2ctj h SER 8 Cb 0.00 0.00 0.14 0.00 -0.44 0.00 0.00 62.40 62.10 2ctj h SER 8 CO 0.00 0.00 -0.62 -0.38 -0.53 0.00 0.00 176.83 175.30 2ctj n ILE 9 N -2.33 -5.06 -4.43 2.23 5.41 -1.26 -5.04 119.36 108.88 2ctj n ILE 9 Ca 0.03 -0.47 -0.22 0.00 1.00 0.00 0.00 62.75 63.09 2ctj n ILE 9 Cb 0.29 -4.63 -0.10 0.00 -0.71 0.00 0.00 39.64 34.49 2ctj n ILE 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2ctj s GLN 10 N -4.99 1.56 0.09 0.38 -2.07 -1.26 -5.15 119.66 108.22 2ctj s GLN 10 Ca 0.04 -1.71 -0.26 0.00 -1.82 0.00 0.00 55.36 51.61 2ctj s GLN 10 Cb -0.00 -1.55 0.08 0.00 -1.09 0.00 0.00 33.01 30.45 2ctj s GLN 10 CO 0.58 0.28 0.76 0.15 -1.32 0.00 0.00 175.29 175.74 2ctj s LYS 11 N -3.56 1.09 -0.16 9.60 1.02 -1.26 -5.15 119.74 121.32 2ctj s LYS 11 Ca 0.27 -0.43 -0.01 0.00 0.02 0.00 0.00 55.97 55.83 2ctj s LYS 11 Cb -0.03 0.48 0.04 0.00 -0.52 0.00 0.00 37.83 37.80 2ctj s LYS 11 CO 0.12 -0.48 -0.04 -0.51 -0.92 0.00 0.00 175.35 173.52 2ctj s ASP 12 N -2.65 2.74 0.00 2.83 1.01 -1.26 -4.94 116.67 114.40 2ctj s ASP 12 Ca 0.04 -0.63 0.00 0.00 0.71 0.00 0.00 52.55 52.67 2ctj s ASP 12 Cb -0.01 -0.85 0.00 0.00 1.01 0.00 0.00 42.92 43.07 2ctj s ASP 12 CO -0.09 -0.20 0.14 0.00 0.21 0.00 0.00 175.17 175.23 2ctj n LEU 13 N 4.91 0.28 -3.67 1.23 -0.00 -1.26 -5.08 117.00 113.41 2ctj n LEU 13 Ca -0.11 -0.31 -0.15 0.00 -0.00 0.00 0.00 56.01 55.45 2ctj n LEU 13 Cb 0.48 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.82 2ctj n LEU 13 CO 0.16 0.07 0.17 0.00 -0.00 0.00 0.00 177.39 177.79 2ctj s ALA 14 N -0.05 -1.12 0.15 1.47 0.00 -1.26 -5.06 121.76 115.89 2ctj s ALA 14 Ca 0.00 0.62 -0.17 0.00 0.00 0.00 0.00 51.96 52.41 2ctj s ALA 14 Cb 0.00 0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.27 2ctj s ALA 14 CO 0.00 -0.33 1.74 -0.97 0.00 0.00 0.00 175.76 176.20 2ctj h ASN 15 N 3.45 0.04 -1.18 0.00 -1.24 -2.00 -3.44 115.58 111.21 2ctj h ASN 15 Ca -0.29 0.05 -0.55 0.00 0.71 0.00 0.00 56.30 56.22 2ctj h ASN 15 Cb 1.17 0.06 0.12 0.00 0.73 0.00 0.00 38.32 40.40 2ctj h ASN 15 CO 0.40 0.06 -0.66 -0.38 -1.29 0.00 0.00 177.43 175.56 2ctj n ILE 16 N -5.07 1.03 -4.06 2.57 2.08 -1.26 -4.78 119.36 109.86 2ctj n ILE 16 Ca 0.00 -0.42 -0.32 0.00 0.56 0.00 0.00 62.75 62.57 2ctj n ILE 16 Cb 0.13 0.00 -0.15 0.00 -0.75 0.00 0.00 39.64 38.87 2ctj n ILE 16 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2ctj s ALA 17 N -1.18 2.45 -0.37 -1.39 0.00 0.79 -4.94 121.76 117.12 2ctj s ALA 17 Ca 0.52 -1.62 -0.23 0.00 0.00 0.00 0.00 51.96 50.63 2ctj s ALA 17 Cb -0.65 -1.50 0.01 0.00 0.00 0.00 0.00 23.12 20.98 2ctj s ALA 17 CO 0.51 -1.05 0.77 -2.00 0.00 0.00 0.00 175.76 173.98 2ctj s GLU 18 N 1.17 3.74 -0.10 0.00 2.12 -1.26 -3.66 118.70 120.71 2ctj s GLU 18 Ca -0.06 0.28 0.01 0.00 0.36 0.00 0.00 54.97 55.56 2ctj s GLU 18 Cb -0.19 -3.81 0.02 0.00 0.26 0.00 0.00 34.13 30.41 2ctj s GLU 18 CO -0.06 -0.85 -0.12 0.08 -0.54 0.00 0.00 175.26 173.77 2ctj s VAL 19 N 3.07 1.23 0.21 3.70 1.01 -0.77 -5.00 120.40 123.85 2ctj s VAL 19 Ca 0.31 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.86 2ctj s VAL 19 Cb -0.13 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 2ctj s VAL 19 CO 0.17 0.39 0.27 -1.61 0.00 0.00 0.00 175.10 174.32 2ctj s GLU 20 N 1.10 3.23 0.09 2.72 8.01 -1.26 -1.67 118.70 130.92 2ctj s GLU 20 Ca -0.06 -0.82 0.02 0.00 0.01 0.00 0.00 54.97 54.13 2ctj s GLU 20 Cb -0.14 -2.78 -0.04 0.00 -4.31 0.00 0.00 34.13 26.86 2ctj s GLU 20 CO -0.02 0.45 -0.08 0.54 0.01 0.00 0.00 175.26 176.16 2ctj s VAL 21 N -1.94 0.74 -0.44 2.63 0.11 -0.57 -4.97 120.40 115.96 2ctj s VAL 21 Ca 0.33 -1.66 -0.16 0.00 -2.93 0.00 0.00 61.98 57.57 2ctj s VAL 21 Cb -0.09 -1.35 0.04 0.00 -1.53 0.00 0.00 36.38 33.45 2ctj s VAL 21 CO 0.27 -0.67 0.37 -0.55 -3.33 0.00 0.00 175.10 171.19 2ctj s SER 22 N -2.54 6.14 -0.09 3.54 0.15 -1.26 -2.15 113.70 117.49 2ctj s SER 22 Ca 0.05 -1.01 -0.08 0.00 0.70 0.00 0.00 55.95 55.61 2ctj s SER 22 Cb -0.01 -2.19 0.03 0.00 -1.71 0.00 0.00 66.02 62.15 2ctj s SER 22 CO -0.02 -0.56 0.24 -0.63 1.20 0.00 0.00 173.24 173.47 2ctj s ILE 23 N 1.79 -0.01 0.54 6.45 1.01 -0.85 -5.05 121.20 125.08 2ctj s ILE 23 Ca 0.06 0.02 -0.20 0.00 0.00 0.00 0.00 60.65 60.54 2ctj s ILE 23 Cb -0.21 -0.35 -0.06 0.00 0.01 0.00 0.00 42.46 41.85 2ctj s ILE 23 CO 0.10 0.01 1.13 -2.16 0.00 0.00 0.00 174.94 174.01 2ctj s PRO 24 N 0.29 3.38 0.12 2.79 0.04 -1.26 -4.10 135.00 136.25 2ctj s PRO 24 Ca -0.01 1.62 -0.18 0.00 0.04 0.00 0.00 61.00 62.47 2ctj s PRO 24 Cb -0.03 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 2ctj s PRO 24 CO -0.01 -0.83 1.66 0.00 0.04 0.00 0.00 177.00 177.86 2ctj h ALA 25 N 1.25 0.41 -1.35 8.56 0.00 -1.90 -2.64 119.26 123.59 2ctj h ALA 25 Ca -0.50 -0.13 0.48 0.00 0.00 0.00 0.00 54.91 54.75 2ctj h ALA 25 Cb 1.26 -0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.78 2ctj h ALA 25 CO 0.57 0.02 0.85 0.36 0.00 0.00 0.00 179.25 181.05 2ctj n LYS 26 N -4.71 -0.04 0.04 0.00 2.85 -1.26 0.66 118.16 115.70 2ctj n LYS 26 Ca -0.02 1.28 -0.21 0.00 -1.05 0.00 0.00 58.31 58.31 2ctj n LYS 26 Cb 0.14 -2.49 -0.14 0.00 -0.65 0.00 0.00 35.03 31.89 2ctj n LYS 26 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 2ctj h LEU 27 N 0.00 0.46 0.00 -5.58 3.38 -1.87 -3.39 115.31 108.31 2ctj h LEU 27 Ca 0.88 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2ctj h LEU 27 Cb 2.79 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 43.39 2ctj h LEU 27 CO -0.50 1.56 0.00 1.41 0.09 0.00 0.00 178.44 181.00 2ctj n HIS 28 N -3.96 0.00 -0.27 1.13 8.25 0.21 0.41 115.22 121.00 2ctj n HIS 28 Ca -0.21 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.31 2ctj n HIS 28 Cb 0.90 -0.30 0.12 0.00 1.12 0.00 0.00 29.99 31.83 2ctj n HIS 28 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2ctj n ASN 29 N -2.39 -0.24 0.39 0.41 4.13 -1.15 -0.30 115.26 116.12 2ctj n ASN 29 Ca 0.00 1.29 -0.15 0.00 1.68 0.00 0.00 54.58 57.39 2ctj n ASN 29 Cb 0.00 -0.40 -0.07 0.00 -1.54 0.00 0.00 39.78 37.76 2ctj n ASN 29 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 2ctj h SER 30 N 0.00 -0.85 -0.58 6.41 0.87 -0.23 -1.60 113.55 117.57 2ctj h SER 30 Ca 0.38 0.03 0.11 0.00 -1.23 0.00 0.00 61.79 61.08 2ctj h SER 30 Cb 0.61 0.22 -0.11 0.00 -0.44 0.00 0.00 62.40 62.68 2ctj h SER 30 CO -0.76 -0.58 -0.27 -0.07 -0.53 0.00 0.00 176.83 174.62 2ctj h LEU 31 N -1.06 -0.93 0.09 2.23 3.38 0.14 -1.82 115.31 117.34 2ctj h LEU 31 Ca -0.10 0.21 0.02 0.00 0.09 0.00 0.00 57.88 58.10 2ctj h LEU 31 Cb 0.77 0.50 -0.05 0.00 0.09 0.00 0.00 40.66 41.97 2ctj h LEU 31 CO 0.17 -0.27 -0.45 0.40 0.09 0.00 0.00 178.44 178.38 2ctj h ILE 32 N -0.11 0.12 0.00 1.22 2.04 -0.63 -3.29 117.51 116.85 2ctj h ILE 32 Ca 0.26 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.12 2ctj h ILE 32 Cb 0.52 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 2ctj h ILE 32 CO -0.65 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.11 2ctj n GLY 33 N -1.47 2.27 0.29 5.37 0.00 -0.60 -2.56 105.19 108.49 2ctj n GLY 33 Ca -0.07 -2.02 0.09 0.00 0.00 0.00 0.00 46.02 44.02 2ctj n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ctj h THR 34 N 0.00 0.46 -0.62 2.61 1.03 -1.87 -2.70 112.91 111.83 2ctj h THR 34 Ca 0.00 -0.10 -0.39 0.00 -0.01 0.00 0.00 66.41 65.91 2ctj h THR 34 Cb 0.00 0.15 -0.41 0.00 -1.07 0.00 0.00 68.15 66.81 2ctj h THR 34 CO 0.00 0.05 -0.98 2.29 -0.01 0.00 0.00 175.52 176.87 2ctj n LYS 35 N -5.14 2.57 -2.95 0.00 2.85 -1.26 -4.95 118.16 109.27 2ctj n LYS 35 Ca 0.17 -3.81 -0.21 0.00 -1.05 0.00 0.00 58.31 53.41 2ctj n LYS 35 Cb 0.55 -1.90 0.02 0.00 -0.65 0.00 0.00 35.03 33.04 2ctj n LYS 35 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2ctj n GLY 36 N -0.63 -0.51 0.05 2.58 0.00 -1.02 -4.91 105.19 100.76 2ctj n GLY 36 Ca 0.24 0.09 -0.01 0.00 0.00 0.00 0.00 46.02 46.34 2ctj n GLY 36 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2ctj h ARG 37 N -0.96 0.00 -1.00 1.61 2.43 -1.75 -0.99 114.38 113.72 2ctj h ARG 37 Ca -0.48 0.00 0.35 0.00 -0.81 0.00 0.00 59.98 59.04 2ctj h ARG 37 Cb 1.34 0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 30.72 2ctj h ARG 37 CO 0.54 0.09 0.52 -0.07 -1.51 0.00 0.00 179.97 179.55 2ctj h LEU 38 N -1.00 0.39 0.13 3.80 4.07 -1.74 0.17 115.31 121.13 2ctj h LEU 38 Ca -0.00 0.22 -0.21 0.00 0.08 0.00 0.00 57.88 57.97 2ctj h LEU 38 Cb 0.11 0.21 0.01 0.00 1.08 0.00 0.00 40.66 42.06 2ctj h LEU 38 CO -0.00 -0.26 -1.00 0.40 -1.08 0.00 0.00 178.44 176.50 2ctj h ILE 39 N 0.19 1.36 -0.65 1.22 1.08 -1.59 -3.23 117.51 115.89 2ctj h ILE 39 Ca 0.77 -2.49 0.19 0.00 -0.39 0.00 0.00 64.86 62.93 2ctj h ILE 39 Cb 1.85 3.04 -0.03 0.00 -3.07 0.00 0.00 36.82 38.62 2ctj h ILE 39 CO -0.68 0.71 0.53 0.03 -0.69 0.00 0.00 178.15 178.05 2ctj h ARG 40 N -0.37 0.00 0.21 2.37 3.08 0.65 -1.43 114.38 118.90 2ctj h ARG 40 Ca -0.19 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 2ctj h ARG 40 Cb 1.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.72 2ctj h ARG 40 CO 0.12 0.00 -0.10 1.03 -1.07 0.00 0.00 179.97 179.94 2ctj h SER 41 N 0.00 -0.24 -0.79 7.04 0.87 -1.02 -3.25 113.55 116.16 2ctj h SER 41 Ca 0.31 0.01 0.19 0.00 -1.23 0.00 0.00 61.79 61.06 2ctj h SER 41 Cb 1.38 0.06 -0.12 0.00 -0.44 0.00 0.00 62.40 63.27 2ctj h SER 41 CO -0.00 0.22 0.17 0.40 -0.53 0.00 0.00 176.83 177.09 2ctj h ILE 42 N -1.08 0.42 -0.88 2.23 2.04 -1.43 0.47 117.51 119.29 2ctj h ILE 42 Ca -0.03 -0.08 0.19 0.00 1.00 0.00 0.00 64.86 65.94 2ctj h ILE 42 Cb 0.22 0.17 -0.07 0.00 -0.74 0.00 0.00 36.82 36.41 2ctj h ILE 42 CO 0.05 0.04 0.58 0.24 0.00 0.00 0.00 178.15 179.06 2ctj h MET 43 N 0.23 0.45 0.02 2.37 2.86 -1.40 0.23 114.93 119.69 2ctj h MET 43 Ca 0.46 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 58.02 2ctj h MET 43 Cb 0.84 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.40 2ctj h MET 43 CO -0.58 0.30 -0.26 1.49 1.06 0.00 0.00 176.91 178.92 2ctj h GLU 44 N 0.46 0.05 -0.90 1.72 4.81 -0.20 0.91 114.58 121.43 2ctj h GLU 44 Ca 0.45 -0.08 0.10 0.00 -0.13 0.00 0.00 59.36 59.70 2ctj h GLU 44 Cb 1.04 0.03 -0.08 0.00 0.63 0.00 0.00 28.75 30.38 2ctj h GLU 44 CO -0.18 1.04 0.54 0.93 -0.73 0.00 0.00 179.01 180.61 2ctj h GLU 45 N -0.90 0.88 -0.22 1.92 4.39 -0.34 -2.20 114.58 118.12 2ctj h GLU 45 Ca -0.06 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.52 2ctj h GLU 45 Cb 1.13 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.58 2ctj h GLU 45 CO 0.00 0.58 -0.12 0.00 -1.16 0.00 0.00 179.01 178.31 2ctj n GLY 47 N 0.01 1.14 0.00 0.00 0.00 -0.83 -4.69 105.19 100.83 2ctj n GLY 47 Ca -0.05 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2ctj n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ctj n GLY 48 N 0.00 0.00 3.78 -0.02 0.00 0.31 -4.81 105.19 104.46 2ctj n GLY 48 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2ctj n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ctj s VAL 49 N 0.00 2.78 -0.30 1.61 -7.23 -1.18 -4.95 120.40 111.13 2ctj s VAL 49 Ca 0.00 0.25 0.02 0.00 -1.81 0.00 0.00 61.98 60.44 2ctj s VAL 49 Cb 0.00 -2.95 0.07 0.00 0.56 0.00 0.00 36.38 34.07 2ctj s VAL 49 CO 0.00 -0.33 -0.01 -1.00 -0.31 0.00 0.00 175.10 173.45 2ctj s HIS 50 N -3.13 3.43 -0.04 2.82 0.09 0.81 -4.84 115.29 114.43 2ctj s HIS 50 Ca 0.62 -2.40 -0.21 0.00 -0.00 0.00 0.00 55.06 53.07 2ctj s HIS 50 Cb -0.15 -2.36 -0.05 0.00 -0.00 0.00 0.00 32.58 30.02 2ctj s HIS 50 CO 0.55 -0.89 0.61 0.42 -0.00 0.00 0.00 174.74 175.43 2ctj s ILE 51 N 1.09 5.00 -0.23 0.60 1.01 -1.26 -0.56 121.20 126.85 2ctj s ILE 51 Ca -0.01 1.26 -0.03 0.00 0.00 0.00 0.00 60.65 61.87 2ctj s ILE 51 Cb -0.20 -3.95 0.01 0.00 0.01 0.00 0.00 42.46 38.33 2ctj s ILE 51 CO -0.05 0.35 -0.06 -1.00 0.00 0.00 0.00 174.94 174.18 2ctj s HIS 52 N 0.28 2.99 -0.09 3.97 3.76 0.81 -4.99 115.29 122.01 2ctj s HIS 52 Ca 0.32 -1.26 -0.02 0.00 -0.15 0.00 0.00 55.06 53.96 2ctj s HIS 52 Cb -0.17 -2.08 -0.03 0.00 1.11 0.00 0.00 32.58 31.40 2ctj s HIS 52 CO 0.16 -0.65 0.00 -0.06 -0.85 0.00 0.00 174.74 173.34 2ctj s PHE 53 N 1.40 3.16 0.79 1.40 0.08 -1.26 -2.16 117.98 121.39 2ctj s PHE 53 Ca 0.03 0.18 -0.11 0.00 0.12 0.00 0.00 56.93 57.15 2ctj s PHE 53 Cb -0.15 -1.80 0.07 0.00 -0.57 0.00 0.00 43.02 40.57 2ctj s PHE 53 CO -0.04 0.45 1.09 -1.25 -0.10 0.00 0.00 175.22 175.36 2ctj s PRO 54 N -0.82 2.09 0.00 0.24 0.04 -1.26 -5.02 135.00 130.27 2ctj s PRO 54 Ca 0.12 1.11 -0.20 0.00 0.04 0.00 0.00 61.00 62.08 2ctj s PRO 54 Cb -0.11 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.49 2ctj s PRO 54 CO 0.02 -1.75 0.56 0.08 0.04 0.00 0.00 177.00 175.96 2ctj s VAL 55 N -2.91 4.90 0.87 -0.36 1.01 -1.26 -5.04 120.40 117.61 2ctj s VAL 55 Ca 0.62 1.18 -0.14 0.00 0.00 0.00 0.00 61.98 63.63 2ctj s VAL 55 Cb -0.17 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 2ctj s VAL 55 CO 0.56 0.45 0.35 -0.62 0.00 0.00 0.00 175.10 175.85 2ctj n GLU 56 N 2.50 -0.04 0.00 2.72 4.71 -1.26 -2.75 120.64 126.52 2ctj n GLU 56 Ca -0.08 0.03 0.00 0.00 -0.01 0.00 0.00 57.16 57.10 2ctj n GLU 56 Cb 0.51 -1.77 0.00 0.00 -1.01 0.00 0.00 31.44 29.17 2ctj n GLU 56 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2ctj n GLY 57 N 1.72 1.80 0.32 0.62 0.00 -1.26 -4.72 105.19 103.68 2ctj n GLY 57 Ca 0.07 -0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.07 2ctj n GLY 57 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2ctj h SER 58 N 0.00 -0.23 -0.32 1.61 0.02 -1.94 -3.45 113.55 109.23 2ctj h SER 58 Ca 0.00 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2ctj h SER 58 Cb 0.00 0.37 0.00 0.00 0.14 0.00 0.00 62.40 62.91 2ctj h SER 58 CO 0.00 -0.27 0.00 0.61 -1.14 0.00 0.00 176.83 176.03 2ctj n GLY 59 N -1.43 0.81 3.06 -3.77 0.00 -1.26 -5.09 105.19 97.51 2ctj n GLY 59 Ca 0.22 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 2ctj n GLY 59 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ctj s SER 60 N -1.97 3.82 -0.63 1.61 0.15 -1.26 -5.00 113.70 110.43 2ctj s SER 60 Ca 0.00 -1.06 -0.01 0.00 0.70 0.00 0.00 55.95 55.58 2ctj s SER 60 Cb 0.00 -1.44 0.46 0.00 -1.71 0.00 0.00 66.02 63.33 2ctj s SER 60 CO 0.00 -0.13 1.97 0.47 1.20 0.00 0.00 173.24 176.75 2ctj n ASP 61 N 4.55 7.26 -4.36 5.45 9.92 -1.26 -4.67 116.55 133.45 2ctj n ASP 61 Ca -0.16 -3.78 -0.30 0.00 -0.53 0.00 0.00 54.79 50.02 2ctj n ASP 61 Cb 0.45 -0.92 -0.14 0.00 -0.64 0.00 0.00 41.12 39.87 2ctj n ASP 61 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2ctj s THR 62 N -4.72 2.20 -0.16 -3.53 2.01 -1.26 -2.00 115.64 108.18 2ctj s THR 62 Ca 0.63 -1.42 0.00 0.00 0.31 0.00 0.00 61.69 61.22 2ctj s THR 62 Cb 0.50 -1.87 0.03 0.00 0.01 0.00 0.00 72.50 71.17 2ctj s THR 62 CO 0.00 0.34 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.45 2ctj s VAL 63 N -0.84 1.54 -0.35 3.82 1.01 -0.91 -4.20 120.40 120.47 2ctj s VAL 63 Ca 0.12 -0.70 -0.16 0.00 0.00 0.00 0.00 61.98 61.24 2ctj s VAL 63 Cb -0.10 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 2ctj s VAL 63 CO 0.03 0.37 0.40 -0.69 0.00 0.00 0.00 175.10 175.21 2ctj s VAL 64 N 1.48 5.13 -0.14 2.92 1.01 -0.92 -1.51 120.40 128.37 2ctj s VAL 64 Ca 0.03 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.07 2ctj s VAL 64 Cb -0.14 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 2ctj s VAL 64 CO -0.10 -0.14 0.00 -0.63 0.00 0.00 0.00 175.10 174.23 2ctj s ILE 65 N 2.12 4.28 0.14 2.22 1.01 -0.67 -0.14 121.20 130.16 2ctj s ILE 65 Ca 0.13 -0.23 0.09 0.00 0.00 0.00 0.00 60.65 60.64 2ctj s ILE 65 Cb -0.16 -2.86 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 2ctj s ILE 65 CO 0.12 0.53 -0.16 -0.13 0.00 0.00 0.00 174.94 175.30 2ctj s ARG 66 N -0.10 1.84 0.00 2.79 0.52 0.28 -1.85 118.95 122.43 2ctj s ARG 66 Ca 0.04 -1.24 0.00 0.00 -0.52 0.00 0.00 55.73 54.01 2ctj s ARG 66 Cb -0.13 -2.10 0.00 0.00 0.52 0.00 0.00 34.95 33.24 2ctj s ARG 66 CO 0.02 0.46 0.00 0.41 0.02 0.00 0.00 175.30 176.21 2ctj n GLY 67 N 0.51 0.95 3.64 -3.53 0.00 -1.24 -0.13 105.19 105.39 2ctj n GLY 67 Ca -0.14 -1.95 -0.43 0.00 0.00 0.00 0.00 46.02 43.50 2ctj n GLY 67 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ctj s PRO 68 N -1.64 3.97 0.52 1.61 0.04 -1.26 -0.15 135.00 138.08 2ctj s PRO 68 Ca 0.00 1.80 0.37 0.00 0.04 0.00 0.00 61.00 63.21 2ctj s PRO 68 Cb 0.00 -3.98 1.27 0.00 0.04 0.00 0.00 34.50 31.83 2ctj s PRO 68 CO 0.00 -1.08 1.31 -1.13 0.04 0.00 0.00 177.00 176.14 2ctj n SER 69 N 7.81 0.00 -0.06 6.66 3.41 -1.26 0.17 113.62 130.34 2ctj n SER 69 Ca 0.18 0.81 -0.11 0.00 -0.26 0.00 0.00 58.87 59.49 2ctj n SER 69 Cb 0.44 -0.36 -0.04 0.00 -0.26 0.00 0.00 64.21 63.99 2ctj n SER 69 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2ctj h SER 70 N 0.00 0.31 1.27 4.04 0.87 -1.98 -2.07 113.55 116.00 2ctj h SER 70 Ca 0.69 -0.20 -0.05 0.00 -1.23 0.00 0.00 61.79 61.01 2ctj h SER 70 Cb 3.12 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 64.99 2ctj h SER 70 CO -0.01 0.42 -0.75 0.44 -0.53 0.00 0.00 176.83 176.40 2ctj h ASP 71 N 0.18 0.00 -0.45 6.23 3.32 0.14 -3.34 116.42 122.50 2ctj h ASP 71 Ca 0.07 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 2ctj h ASP 71 Cb 0.22 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 2ctj h ASP 71 CO -0.00 0.19 -0.04 0.58 -1.72 0.00 0.00 179.24 178.25 2ctj h VAL 72 N 0.00 1.27 -0.72 -1.35 2.07 -0.75 -0.32 116.25 116.45 2ctj h VAL 72 Ca -0.03 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 2ctj h VAL 72 Cb 1.17 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 2ctj h VAL 72 CO 0.02 0.38 0.38 1.05 0.02 0.00 0.00 177.57 179.42 2ctj h GLU 73 N 0.66 1.01 -0.25 1.57 4.11 -1.49 0.26 114.58 120.45 2ctj h GLU 73 Ca 0.12 -0.13 -0.17 0.00 0.07 0.00 0.00 59.36 59.25 2ctj h GLU 73 Cb 0.55 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 2ctj h GLU 73 CO 0.03 0.76 -0.53 0.87 0.07 0.00 0.00 179.01 180.21 2ctj h LYS 74 N 0.99 0.74 -0.35 1.06 1.57 -1.65 -1.10 116.57 117.83 2ctj h LYS 74 Ca 0.25 -0.46 -0.15 0.00 -1.87 0.00 0.00 60.65 58.43 2ctj h LYS 74 Cb 0.06 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2ctj h LYS 74 CO -0.04 1.08 -0.35 0.00 -0.57 0.00 0.00 179.45 179.57 2ctj h ALA 75 N 0.83 0.51 -0.01 3.86 0.00 -0.74 -2.19 119.26 121.51 2ctj h ALA 75 Ca 0.02 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 2ctj h ALA 75 Cb 1.11 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2ctj h ALA 75 CO 0.11 0.58 -0.01 -0.22 0.00 0.00 0.00 179.25 179.72 2ctj h LYS 76 N 0.64 0.03 -0.05 0.00 3.64 -0.48 -1.95 116.57 118.40 2ctj h LYS 76 Ca 0.05 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 2ctj h LYS 76 Cb 0.94 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.76 2ctj h LYS 76 CO 0.09 0.45 0.04 1.57 -2.27 0.00 0.00 179.45 179.33 2ctj h LYS 77 N -0.39 0.00 0.06 1.90 2.10 -1.25 -0.49 116.57 118.50 2ctj h LYS 77 Ca 0.00 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.39 2ctj h LYS 77 Cb 0.44 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.78 2ctj h LYS 77 CO 0.00 0.00 -1.10 1.96 -2.00 0.00 0.00 179.45 178.31 2ctj h GLN 78 N 0.00 0.47 -0.24 0.07 4.20 -1.25 -3.10 115.11 115.26 2ctj h GLN 78 Ca 0.02 -0.58 -0.18 0.00 0.06 0.00 0.00 58.65 57.97 2ctj h GLN 78 Cb 0.11 0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.08 2ctj h GLN 78 CO -0.00 1.22 -0.57 1.25 -0.67 0.00 0.00 178.83 180.07 2ctj h LEU 79 N 0.22 0.83 -0.38 1.46 5.85 -0.48 -2.58 115.31 120.24 2ctj h LEU 79 Ca -0.13 -0.45 0.01 0.00 0.84 0.00 0.00 57.88 58.15 2ctj h LEU 79 Cb 1.76 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.53 2ctj h LEU 79 CO 0.20 1.22 0.24 -0.07 -0.34 0.00 0.00 178.44 179.69 2ctj h LEU 80 N 0.57 0.41 0.83 2.25 4.07 -1.20 0.51 115.31 122.74 2ctj h LEU 80 Ca 0.01 -0.01 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 2ctj h LEU 80 Cb 1.15 -0.10 0.01 0.00 1.08 0.00 0.00 40.66 42.80 2ctj h LEU 80 CO 0.12 0.30 -0.40 -0.74 -1.08 0.00 0.00 178.44 176.64 2ctj h HIS 81 N 0.49 -1.03 -0.00 1.13 2.76 -1.54 -3.13 115.15 113.82 2ctj h HIS 81 Ca 0.14 -0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.32 2ctj h HIS 81 Cb -0.04 0.34 -0.06 0.00 1.55 0.00 0.00 27.41 29.21 2ctj h HIS 81 CO -0.06 -0.64 -0.47 -0.07 -1.30 0.00 0.00 177.93 175.39 2ctj h LEU 82 N -1.28 -1.44 -0.71 0.26 3.38 -1.43 -1.72 115.31 112.37 2ctj h LEU 82 Ca -0.11 0.17 0.15 0.00 0.09 0.00 0.00 57.88 58.18 2ctj h LEU 82 Cb 0.86 0.55 -0.13 0.00 0.09 0.00 0.00 40.66 42.03 2ctj h LEU 82 CO 0.19 -0.49 -0.13 0.00 0.09 0.00 0.00 178.44 178.09 2ctj n ALA 83 N -2.92 0.21 0.06 1.53 0.00 0.16 0.80 120.51 120.35 2ctj n ALA 83 Ca -0.06 0.78 -0.13 0.00 0.00 0.00 0.00 53.44 54.03 2ctj n ALA 83 Cb 0.38 -0.49 -0.09 0.00 0.00 0.00 0.00 19.45 19.26 2ctj n ALA 83 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ctj h GLU 84 N 0.00 -0.14 -0.09 0.00 5.08 -1.28 -3.27 114.58 114.88 2ctj h GLU 84 Ca 0.36 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.77 2ctj h GLU 84 Cb 0.60 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.82 2ctj h GLU 84 CO -0.72 0.19 -0.39 0.93 -1.00 0.00 0.00 179.01 178.02 2ctj h GLU 85 N -0.48 -0.47 -0.75 2.33 4.39 0.11 -1.80 114.58 117.91 2ctj h GLU 85 Ca -0.01 0.03 0.18 0.00 0.34 0.00 0.00 59.36 59.90 2ctj h GLU 85 Cb 0.39 0.11 -0.14 0.00 -0.10 0.00 0.00 28.75 29.01 2ctj h GLU 85 CO 0.02 -0.31 -0.08 1.63 -1.16 0.00 0.00 179.01 179.11 2ctj n LYS 86 N -5.43 -0.06 -1.36 2.33 4.76 0.46 -4.50 118.16 114.36 2ctj n LYS 86 Ca -0.04 1.15 -0.47 0.00 -2.87 0.00 0.00 58.31 56.07 2ctj n LYS 86 Cb 0.35 -1.77 -0.03 0.00 -1.84 0.00 0.00 35.03 31.75 2ctj n LYS 86 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2ctj n GLN 87 N -5.13 0.00 -3.52 1.97 6.02 -0.68 -4.90 117.38 111.14 2ctj n GLN 87 Ca 0.15 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.73 2ctj n GLN 87 Cb 0.48 -0.99 -0.10 0.00 1.02 0.00 0.00 30.24 30.65 2ctj n GLN 87 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2ctj s THR 88 N -0.93 5.27 0.49 5.09 2.01 -1.26 -5.05 115.64 121.26 2ctj s THR 88 Ca 0.63 -0.29 -0.17 0.00 0.31 0.00 0.00 61.69 62.17 2ctj s THR 88 Cb -0.91 -3.74 -0.15 0.00 0.01 0.00 0.00 72.50 67.71 2ctj s THR 88 CO 0.54 -0.06 -0.12 1.17 -0.69 0.00 0.00 174.62 175.46 2ctj n LYS 89 N 5.11 0.00 -1.70 4.92 0.00 -1.26 -4.78 118.16 120.46 2ctj n LYS 89 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 57.76 2ctj n LYS 89 Cb 0.49 -0.97 -0.00 0.00 0.00 0.00 0.00 35.03 34.55 2ctj n LYS 89 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2ctj n SER 90 N 2.43 2.68 0.00 3.14 7.64 -1.26 -4.88 113.62 123.37 2ctj n SER 90 Ca 0.08 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.14 2ctj n SER 90 Cb 0.46 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.17 2ctj n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ctj n GLY 91 N 0.79 -0.53 3.77 0.23 0.00 -1.26 -5.15 105.19 103.04 2ctj n GLY 91 Ca 0.05 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.88 2ctj n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ctj s PRO 92 N -1.59 2.52 -0.06 1.61 0.04 -1.26 -5.05 135.00 131.20 2ctj s PRO 92 Ca 0.00 1.27 0.01 0.00 0.04 0.00 0.00 61.00 62.32 2ctj s PRO 92 Cb 0.00 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 2ctj s PRO 92 CO 0.00 -1.46 -0.07 -1.54 0.04 0.00 0.00 177.00 173.98 2ctj s SER 93 N -3.02 4.64 -0.29 6.66 1.04 -1.26 -5.10 113.70 116.36 2ctj s SER 93 Ca 0.64 -0.04 -0.15 0.00 0.48 0.00 0.00 55.95 56.88 2ctj s SER 93 Cb -0.19 -1.15 0.15 0.00 0.10 0.00 0.00 66.02 64.93 2ctj s SER 93 CO 0.49 0.35 0.92 -0.94 0.98 0.00 0.00 173.24 175.05 2ctj s SER 94 N -0.87 -0.65 0.00 7.02 1.04 -1.26 -5.35 113.70 113.63 2ctj s SER 94 Ca 0.13 0.95 0.10 0.00 0.48 0.00 0.00 55.95 57.61 2ctj s SER 94 Cb -0.11 1.56 0.61 0.00 0.10 0.00 0.00 66.02 68.18 2ctj s SER 94 CO 0.02 -0.14 1.05 0.61 0.98 0.00 0.00 173.24 175.77