#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 6.21 0.17 1.61 1.04 -1.26 -4.94 113.70 116.53 2ctj s SER 2 Ca 0.00 -0.89 -0.14 0.00 0.48 0.00 0.00 55.95 55.40 2ctj s SER 2 Cb 0.00 -2.26 0.08 0.00 0.10 0.00 0.00 66.02 63.95 2ctj s SER 2 CO 0.00 -0.77 1.81 -1.28 0.98 0.00 0.00 173.24 173.97 2ctj h SER 3 N 8.89 0.45 -4.06 7.02 0.87 -2.15 -3.48 113.55 121.09 2ctj h SER 3 Ca -0.27 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 2ctj h SER 3 Cb 1.10 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 2ctj h SER 3 CO 0.91 0.32 0.00 0.61 -0.53 0.00 0.00 176.83 178.14 2ctj n GLY 4 N -1.23 4.06 2.94 5.77 0.00 -1.26 -5.12 105.19 110.35 2ctj n GLY 4 Ca 0.03 -1.46 -0.23 0.00 0.00 0.00 0.00 46.02 44.36 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 1.46 0.28 1.61 0.01 -1.26 -5.14 113.70 110.65 2ctj s SER 5 Ca 0.00 -0.22 0.03 0.00 1.31 0.00 0.00 55.95 57.07 2ctj s SER 5 Cb 0.00 -0.65 -0.04 0.00 0.21 0.00 0.00 66.02 65.55 2ctj s SER 5 CO 0.00 -0.03 0.18 -0.44 0.41 0.00 0.00 173.24 173.36 2ctj s SER 6 N 0.95 1.15 0.00 2.44 0.01 -1.26 -5.15 113.70 111.84 2ctj s SER 6 Ca -0.10 -1.56 0.00 0.00 1.31 0.00 0.00 55.95 55.60 2ctj s SER 6 Cb -0.15 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.51 2ctj s SER 6 CO 0.00 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.35 2ctj n GLY 7 N -0.50 0.84 3.48 3.44 0.00 -1.26 -5.08 105.19 106.12 2ctj n GLY 7 Ca 0.03 -2.30 -0.29 0.00 0.00 0.00 0.00 46.02 43.45 2ctj n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ctj s SER 8 N -0.30 0.56 0.10 1.61 0.15 -1.26 -4.97 113.70 109.60 2ctj s SER 8 Ca 0.00 1.07 -0.30 0.00 0.70 0.00 0.00 55.95 57.42 2ctj s SER 8 Cb 0.00 -1.61 -0.06 0.00 -1.71 0.00 0.00 66.02 62.65 2ctj s SER 8 CO 0.00 -4.39 0.98 0.27 1.20 0.00 0.00 173.24 171.30 2ctj s ILE 9 N -2.60 4.48 0.00 6.45 -4.36 -1.26 -4.91 121.20 119.01 2ctj s ILE 9 Ca 0.68 2.02 0.00 0.00 -0.26 0.00 0.00 60.65 63.09 2ctj s ILE 9 Cb -0.17 -4.29 0.00 0.00 1.25 0.00 0.00 42.46 39.25 2ctj s ILE 9 CO 0.60 0.29 0.00 0.00 0.24 0.00 0.00 174.94 176.07 2ctj n GLN 10 N 2.92 0.00 -3.14 0.37 0.00 -1.26 -5.01 117.38 111.26 2ctj n GLN 10 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 57.00 56.83 2ctj n GLN 10 Cb 0.49 -0.67 -0.04 0.00 0.00 0.00 0.00 30.24 30.02 2ctj n GLN 10 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2ctj n LYS 11 N -2.06 -1.52 -1.46 2.61 4.01 -1.26 -4.73 118.16 113.74 2ctj n LYS 11 Ca 0.00 0.06 -0.29 0.00 -0.51 0.00 0.00 58.31 57.58 2ctj n LYS 11 Cb 0.23 -3.65 0.08 0.00 -0.51 0.00 0.00 35.03 31.19 2ctj n LYS 11 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2ctj n ASP 12 N -1.52 6.19 -3.32 4.39 8.00 -1.26 -5.03 116.55 123.99 2ctj n ASP 12 Ca 0.06 -3.77 -0.46 0.00 0.71 0.00 0.00 54.79 51.33 2ctj n ASP 12 Cb 0.37 -0.77 -0.07 0.00 -0.02 0.00 0.00 41.12 40.64 2ctj n ASP 12 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ctj n LEU 13 N -0.90 0.50 -3.62 0.64 -0.00 -1.26 -4.91 117.00 107.45 2ctj n LEU 13 Ca 0.55 0.84 -0.06 0.00 -0.00 0.00 0.00 56.01 57.35 2ctj n LEU 13 Cb 0.86 -0.64 -0.05 0.00 -0.00 0.00 0.00 43.42 43.59 2ctj n LEU 13 CO 0.63 -0.91 0.99 0.00 -0.00 0.00 0.00 177.39 178.09 2ctj s ALA 14 N 1.26 -2.07 -0.10 1.47 0.00 -1.26 -5.06 121.76 116.00 2ctj s ALA 14 Ca 0.71 1.76 -0.15 0.00 0.00 0.00 0.00 51.96 54.28 2ctj s ALA 14 Cb -1.00 -1.34 -0.28 0.00 0.00 0.00 0.00 23.12 20.51 2ctj s ALA 14 CO 0.51 -0.23 0.57 -2.95 0.00 0.00 0.00 175.76 173.66 2ctj h ASN 15 N 2.71 0.42 -3.56 0.00 -1.07 -1.99 -3.46 115.58 108.62 2ctj h ASN 15 Ca -0.18 -0.87 -0.52 0.00 0.07 0.00 0.00 56.30 54.80 2ctj h ASN 15 Cb 1.18 -0.14 -0.03 0.00 -2.07 0.00 0.00 38.32 37.26 2ctj h ASN 15 CO 0.22 1.65 0.10 -0.63 0.07 0.00 0.00 177.43 178.84 2ctj s ILE 16 N -2.49 4.58 -0.26 6.14 -1.09 -1.26 -4.66 121.20 122.16 2ctj s ILE 16 Ca -0.19 1.26 0.02 0.00 -2.23 0.00 0.00 60.65 59.51 2ctj s ILE 16 Cb 0.05 -3.85 0.06 0.00 -1.58 0.00 0.00 42.46 37.13 2ctj s ILE 16 CO 0.78 0.21 -0.10 0.00 -1.23 0.00 0.00 174.94 174.59 2ctj s ALA 17 N -1.52 2.58 -0.31 9.38 0.00 0.11 -4.94 121.76 127.06 2ctj s ALA 17 Ca 0.43 -1.73 -0.21 0.00 0.00 0.00 0.00 51.96 50.44 2ctj s ALA 17 Cb -0.17 -1.60 -0.01 0.00 0.00 0.00 0.00 23.12 21.35 2ctj s ALA 17 CO 0.21 -1.15 0.68 -2.00 0.00 0.00 0.00 175.76 173.49 2ctj s GLU 18 N 1.13 3.91 -0.17 0.00 2.12 -1.26 -3.37 118.70 121.06 2ctj s GLU 18 Ca -0.08 0.37 -0.04 0.00 0.36 0.00 0.00 54.97 55.58 2ctj s GLU 18 Cb -0.20 -3.73 0.06 0.00 0.26 0.00 0.00 34.13 30.52 2ctj s GLU 18 CO -0.05 -0.61 0.06 0.08 -0.54 0.00 0.00 175.26 174.20 2ctj s VAL 19 N 2.71 0.20 0.30 3.70 1.01 -0.89 -5.00 120.40 122.43 2ctj s VAL 19 Ca 0.27 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 62.00 2ctj s VAL 19 Cb -0.15 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 2ctj s VAL 19 CO 0.12 -0.21 0.43 -1.83 0.00 0.00 0.00 175.10 173.61 2ctj s GLU 20 N 2.01 3.30 0.00 2.72 -1.05 -1.26 -2.50 118.70 121.92 2ctj s GLU 20 Ca 0.01 -0.81 -0.03 0.00 -0.15 0.00 0.00 54.97 53.98 2ctj s GLU 20 Cb -0.16 -2.83 -0.01 0.00 -0.44 0.00 0.00 34.13 30.69 2ctj s GLU 20 CO -0.08 0.23 0.06 0.54 0.95 0.00 0.00 175.26 176.96 2ctj s VAL 21 N -2.11 0.08 -0.14 1.83 0.11 0.25 -4.96 120.40 115.46 2ctj s VAL 21 Ca 0.39 -0.62 -0.29 0.00 -2.93 0.00 0.00 61.98 58.53 2ctj s VAL 21 Cb -0.09 -0.30 -0.01 0.00 -1.53 0.00 0.00 36.38 34.45 2ctj s VAL 21 CO 0.31 -0.34 1.17 -0.55 -3.33 0.00 0.00 175.10 172.35 2ctj s SER 22 N -1.10 7.05 -0.17 3.54 0.15 -1.26 -0.59 113.70 121.32 2ctj s SER 22 Ca -0.12 1.65 -0.15 0.00 0.70 0.00 0.00 55.95 58.03 2ctj s SER 22 Cb -0.07 -2.55 0.05 0.00 -1.71 0.00 0.00 66.02 61.74 2ctj s SER 22 CO 0.00 -0.65 0.44 -0.63 1.20 0.00 0.00 173.24 173.61 2ctj s ILE 23 N 2.85 -0.00 0.49 6.45 1.01 0.10 -4.95 121.20 127.16 2ctj s ILE 23 Ca 0.52 0.01 -0.22 0.00 0.00 0.00 0.00 60.65 60.97 2ctj s ILE 23 Cb -0.21 -0.63 -0.07 0.00 0.01 0.00 0.00 42.46 41.57 2ctj s ILE 23 CO 0.16 0.00 1.15 -2.16 0.00 0.00 0.00 174.94 174.09 2ctj s PRO 24 N 0.39 3.60 0.37 2.79 0.04 -1.26 -3.88 135.00 137.05 2ctj s PRO 24 Ca -0.01 1.71 0.18 0.00 0.04 0.00 0.00 61.00 62.92 2ctj s PRO 24 Cb -0.04 -2.25 0.69 0.00 0.04 0.00 0.00 34.50 32.95 2ctj s PRO 24 CO -0.01 -0.67 1.75 0.00 0.04 0.00 0.00 177.00 178.10 2ctj h ALA 25 N 1.71 1.04 0.00 8.56 0.00 -1.89 -2.81 119.26 125.87 2ctj h ALA 25 Ca -0.50 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.06 2ctj h ALA 25 Cb 1.25 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2ctj h ALA 25 CO 0.59 0.48 -0.01 1.57 0.00 0.00 0.00 179.25 181.88 2ctj h LYS 26 N 0.00 0.00 0.08 0.00 5.09 -1.99 -2.28 116.57 117.47 2ctj h LYS 26 Ca -0.00 0.00 -0.36 0.00 0.09 0.00 0.00 60.65 60.38 2ctj h LYS 26 Cb 0.87 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.16 2ctj h LYS 26 CO 0.05 0.01 -2.06 1.28 -2.09 0.00 0.00 179.45 176.63 2ctj n LEU 27 N -3.22 2.34 -0.14 7.07 4.77 -1.07 -4.49 117.00 122.27 2ctj n LEU 27 Ca -0.03 0.17 -0.04 0.00 -0.03 0.00 0.00 56.01 56.08 2ctj n LEU 27 Cb 0.10 -0.83 -0.03 0.00 -2.33 0.00 0.00 43.42 40.32 2ctj n LEU 27 CO 0.22 0.79 0.42 1.41 -1.33 0.00 0.00 177.39 178.90 2ctj n HIS 28 N -3.35 -0.15 -0.33 -1.77 8.25 -0.86 0.13 115.22 117.14 2ctj n HIS 28 Ca -0.32 0.42 0.32 0.00 -0.26 0.00 0.00 57.72 57.88 2ctj n HIS 28 Cb 1.04 -0.48 0.59 0.00 1.12 0.00 0.00 29.99 32.26 2ctj n HIS 28 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 2ctj h ASN 29 N 0.00 0.33 0.33 0.41 2.35 -1.79 0.34 115.58 117.55 2ctj h ASN 29 Ca 0.05 0.25 -0.02 0.00 -0.55 0.00 0.00 56.30 56.03 2ctj h ASN 29 Cb 0.14 0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.76 2ctj h ASN 29 CO -0.32 -0.40 -0.16 0.28 -1.65 0.00 0.00 177.43 175.18 2ctj h SER 30 N 0.03 -0.38 -0.37 5.81 0.02 0.84 -2.15 113.55 117.35 2ctj h SER 30 Ca 0.84 0.01 0.08 0.00 -0.84 0.00 0.00 61.79 61.88 2ctj h SER 30 Cb 2.25 0.10 -0.09 0.00 0.14 0.00 0.00 62.40 64.80 2ctj h SER 30 CO -0.73 0.02 -0.33 -0.07 -1.14 0.00 0.00 176.83 174.58 2ctj h LEU 31 N -1.02 -1.08 0.52 5.07 3.38 0.97 -2.58 115.31 120.57 2ctj h LEU 31 Ca -0.05 0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2ctj h LEU 31 Cb 0.34 0.50 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 2ctj h LEU 31 CO 0.07 -0.32 -0.51 0.40 0.09 0.00 0.00 178.44 178.17 2ctj h ILE 32 N -0.27 0.00 0.00 1.22 2.04 -0.55 -3.30 117.51 116.66 2ctj h ILE 32 Ca 0.16 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.02 2ctj h ILE 32 Cb 0.54 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2ctj h ILE 32 CO -0.52 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.24 2ctj n GLY 33 N -1.57 2.09 0.31 5.37 0.00 -0.81 -1.66 105.19 108.92 2ctj n GLY 33 Ca -0.12 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.86 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 0.19 -0.48 2.61 1.03 -1.88 -2.37 112.91 112.01 2ctj h THR 34 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 66.41 66.05 2ctj h THR 34 Cb 0.00 0.19 -0.33 0.00 -1.07 0.00 0.00 68.15 66.94 2ctj h THR 34 CO 0.00 0.00 -0.82 0.29 -0.01 0.00 0.00 175.52 174.98 2ctj n LYS 35 N -5.49 2.59 -3.63 0.00 5.02 -1.26 -4.97 118.16 110.42 2ctj n LYS 35 Ca 0.09 -3.71 -0.20 0.00 -2.02 0.00 0.00 58.31 52.47 2ctj n LYS 35 Cb 0.39 -1.86 0.05 0.00 -0.02 0.00 0.00 35.03 33.59 2ctj n LYS 35 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ctj n GLY 36 N -0.69 -0.31 0.10 0.72 0.00 -0.89 -4.91 105.19 99.21 2ctj n GLY 36 Ca 0.29 0.12 -0.11 0.00 0.00 0.00 0.00 46.02 46.32 2ctj n GLY 36 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2ctj n ARG 37 N -4.23 0.68 0.27 1.61 0.63 -0.84 -3.10 116.66 111.67 2ctj n ARG 37 Ca -0.30 0.06 0.16 0.00 -0.92 0.00 0.00 57.85 56.86 2ctj n ARG 37 Cb 0.68 -1.57 0.64 0.00 0.45 0.00 0.00 32.46 32.66 2ctj n ARG 37 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2ctj h LEU 38 N 0.00 0.00 0.02 6.15 3.38 -1.49 -2.94 115.31 120.43 2ctj h LEU 38 Ca -0.51 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.07 2ctj h LEU 38 Cb 2.17 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.86 2ctj h LEU 38 CO 0.03 0.02 -2.37 -0.38 0.09 0.00 0.00 178.44 175.83 2ctj n ILE 39 N -3.12 1.54 -0.26 1.22 2.08 -1.19 -4.07 119.36 115.57 2ctj n ILE 39 Ca 0.01 -0.53 0.13 0.00 0.56 0.00 0.00 62.75 62.92 2ctj n ILE 39 Cb 0.33 -1.58 0.40 0.00 -0.75 0.00 0.00 39.64 38.03 2ctj n ILE 39 CO 0.00 0.00 0.00 0.08 0.56 0.00 0.00 176.55 177.19 2ctj h ARG 40 N -0.22 0.63 -0.29 0.38 0.11 -1.56 -0.61 114.38 112.82 2ctj h ARG 40 Ca -0.57 -0.04 -0.08 0.00 0.10 0.00 0.00 59.98 59.40 2ctj h ARG 40 Cb 1.84 -0.14 -0.01 0.00 1.11 0.00 0.00 29.97 32.77 2ctj h ARG 40 CO -0.13 0.42 -0.11 0.66 0.10 0.00 0.00 179.97 180.90 2ctj h SER 41 N 0.65 0.60 -0.70 0.08 4.64 -1.72 -1.46 113.55 115.65 2ctj h SER 41 Ca 0.45 -0.39 -0.02 0.00 -0.47 0.00 0.00 61.79 61.36 2ctj h SER 41 Cb 0.78 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.67 2ctj h SER 41 CO -0.20 0.86 0.35 0.40 -0.87 0.00 0.00 176.83 177.36 2ctj h ILE 42 N 0.34 1.23 0.00 0.95 2.04 -1.36 0.14 117.51 120.85 2ctj h ILE 42 Ca 0.07 -0.62 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 2ctj h ILE 42 Cb 0.62 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 2ctj h ILE 42 CO 0.04 0.26 -0.20 0.24 0.00 0.00 0.00 178.15 178.49 2ctj h MET 43 N 0.97 0.00 0.09 2.37 2.86 -1.11 -0.74 114.93 119.37 2ctj h MET 43 Ca 0.24 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.71 2ctj h MET 43 Cb 0.10 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.77 2ctj h MET 43 CO -0.03 0.20 -0.81 1.49 1.06 0.00 0.00 176.91 178.82 2ctj h GLU 44 N 0.00 0.20 -0.12 1.72 4.81 -0.52 0.91 114.58 121.57 2ctj h GLU 44 Ca -0.00 -0.33 -0.13 0.00 -0.13 0.00 0.00 59.36 58.77 2ctj h GLU 44 Cb 0.71 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 2ctj h GLU 44 CO 0.03 1.16 -0.48 1.05 -0.73 0.00 0.00 179.01 180.03 2ctj h GLU 45 N -0.55 0.32 -0.38 1.92 4.11 -0.73 -3.02 114.58 116.25 2ctj h GLU 45 Ca -0.16 -0.18 -0.09 0.00 0.07 0.00 0.00 59.36 59.00 2ctj h GLU 45 Cb 1.50 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.74 2ctj h GLU 45 CO 0.07 0.74 -0.15 0.00 0.07 0.00 0.00 179.01 179.74 2ctj n GLY 47 N -0.44 0.94 0.00 0.00 0.00 -1.14 -4.71 105.19 99.83 2ctj n GLY 47 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 1.00 3.70 -0.02 0.00 0.31 -4.92 105.19 105.27 2ctj n GLY 48 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.01 2.52 -0.18 1.61 -7.23 -1.16 -5.00 120.40 109.95 2ctj s VAL 49 Ca 0.00 0.17 0.01 0.00 -1.81 0.00 0.00 61.98 60.35 2ctj s VAL 49 Cb 0.00 -2.64 0.02 0.00 0.56 0.00 0.00 36.38 34.32 2ctj s VAL 49 CO 0.00 -0.22 -0.20 -1.00 -0.31 0.00 0.00 175.10 173.37 2ctj s HIS 50 N -2.93 2.76 -0.09 2.82 0.09 -0.41 -4.80 115.29 112.73 2ctj s HIS 50 Ca 0.64 -1.63 -0.04 0.00 -0.00 0.00 0.00 55.06 54.03 2ctj s HIS 50 Cb -0.18 -1.91 -0.04 0.00 -0.00 0.00 0.00 32.58 30.45 2ctj s HIS 50 CO 0.57 -0.80 0.09 0.42 -0.00 0.00 0.00 174.74 175.02 2ctj s ILE 51 N 1.28 5.00 -0.16 0.60 1.01 -1.26 -0.23 121.20 127.44 2ctj s ILE 51 Ca 0.05 -0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.63 2ctj s ILE 51 Cb -0.13 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.15 2ctj s ILE 51 CO -0.13 0.58 -0.03 -1.00 0.00 0.00 0.00 174.94 174.37 2ctj s HIS 52 N -1.00 3.04 -0.19 3.97 3.76 0.58 -4.99 115.29 120.45 2ctj s HIS 52 Ca 0.15 -0.31 -0.00 0.00 -0.15 0.00 0.00 55.06 54.75 2ctj s HIS 52 Cb -0.12 -1.98 0.05 0.00 1.11 0.00 0.00 32.58 31.64 2ctj s HIS 52 CO 0.05 -0.06 -0.06 -0.06 -0.85 0.00 0.00 174.74 173.76 2ctj s PHE 53 N 0.47 2.00 0.67 1.40 0.08 -1.26 -3.24 117.98 118.10 2ctj s PHE 53 Ca -0.03 -1.36 -0.15 0.00 0.12 0.00 0.00 56.93 55.52 2ctj s PHE 53 Cb -0.14 -1.44 0.00 0.00 -0.57 0.00 0.00 43.02 40.88 2ctj s PHE 53 CO 0.03 -0.69 1.11 -1.25 -0.10 0.00 0.00 175.22 174.32 2ctj s PRO 54 N 1.53 2.75 -0.12 0.24 0.04 -1.26 -5.00 135.00 133.18 2ctj s PRO 54 Ca -0.02 1.37 -0.27 0.00 0.04 0.00 0.00 61.00 62.12 2ctj s PRO 54 Cb -0.17 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 2ctj s PRO 54 CO -0.07 -1.28 0.92 0.08 0.04 0.00 0.00 177.00 176.68 2ctj s VAL 55 N -2.39 4.84 0.29 -0.36 1.01 -1.26 -4.90 120.40 117.63 2ctj s VAL 55 Ca 0.66 1.84 0.20 0.00 0.00 0.00 0.00 61.98 64.68 2ctj s VAL 55 Cb -0.20 -4.23 0.31 0.00 0.00 0.00 0.00 36.38 32.26 2ctj s VAL 55 CO 0.43 0.03 1.12 -1.84 0.00 0.00 0.00 175.10 174.84 2ctj n GLU 56 N 4.98 -0.03 0.06 2.72 -0.00 -1.26 -0.51 120.64 126.59 2ctj n GLU 56 Ca 0.06 0.93 -0.05 0.00 -0.00 0.00 0.00 57.16 58.10 2ctj n GLU 56 Cb 0.49 -1.76 -0.03 0.00 -0.00 0.00 0.00 31.44 30.14 2ctj n GLU 56 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 2ctj h GLY 57 N 0.00 -1.01 -0.86 -1.84 0.00 -1.97 -2.73 103.07 94.65 2ctj h GLY 57 Ca 0.62 0.46 0.18 0.00 0.00 0.00 0.00 47.33 48.59 2ctj h GLY 57 CO -0.43 -0.35 -0.20 -1.26 0.00 0.00 0.00 176.54 174.31 2ctj n SER 58 N -3.26 -0.29 0.00 0.19 2.88 0.33 -4.80 113.62 108.67 2ctj n SER 58 Ca -0.03 1.48 0.00 0.00 -1.33 0.00 0.00 58.87 58.99 2ctj n SER 58 Cb 0.13 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.13 2ctj n SER 58 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ctj n GLY 59 N -1.53 1.60 3.39 0.46 0.00 -1.03 -5.10 105.19 102.98 2ctj n GLY 59 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 4.63 -0.38 1.61 0.15 -1.26 -4.98 113.70 111.46 2ctj s SER 60 Ca 0.00 -0.28 0.06 0.00 0.70 0.00 0.00 55.95 56.43 2ctj s SER 60 Cb 0.00 -1.80 0.58 0.00 -1.71 0.00 0.00 66.02 63.10 2ctj s SER 60 CO 0.00 0.02 1.69 0.47 1.20 0.00 0.00 173.24 176.63 2ctj n ASP 61 N 4.53 3.27 -4.40 5.45 8.00 -1.26 -4.65 116.55 127.48 2ctj n ASP 61 Ca -0.17 -3.71 -0.32 0.00 0.71 0.00 0.00 54.79 51.29 2ctj n ASP 61 Cb 0.51 -0.74 -0.14 0.00 -0.02 0.00 0.00 41.12 40.73 2ctj n ASP 61 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2ctj s THR 62 N -3.35 2.84 -0.35 -3.53 2.01 -1.25 0.02 115.64 112.02 2ctj s THR 62 Ca 0.51 -0.78 -0.04 0.00 0.31 0.00 0.00 61.69 61.69 2ctj s THR 62 Cb 0.45 -2.12 0.07 0.00 0.01 0.00 0.00 72.50 70.90 2ctj s THR 62 CO 0.05 0.57 0.11 -0.69 -0.69 0.00 0.00 174.62 173.96 2ctj s VAL 63 N -0.31 3.36 -0.24 3.82 1.01 0.24 -4.50 120.40 123.79 2ctj s VAL 63 Ca 0.02 -1.53 -0.19 0.00 0.00 0.00 0.00 61.98 60.28 2ctj s VAL 63 Cb -0.13 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 2ctj s VAL 63 CO 0.03 -0.34 0.54 -0.69 0.00 0.00 0.00 175.10 174.64 2ctj s VAL 64 N 1.27 5.06 0.13 2.92 1.01 -1.20 -0.59 120.40 129.00 2ctj s VAL 64 Ca 0.00 0.96 0.06 0.00 0.00 0.00 0.00 61.98 63.00 2ctj s VAL 64 Cb -0.21 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 2ctj s VAL 64 CO -0.01 0.10 0.01 -0.63 0.00 0.00 0.00 175.10 174.57 2ctj s ILE 65 N 2.14 3.94 0.06 2.22 1.01 -1.04 -0.31 121.20 129.23 2ctj s ILE 65 Ca 0.23 -1.15 0.04 0.00 0.00 0.00 0.00 60.65 59.77 2ctj s ILE 65 Cb -0.16 -2.93 -0.03 0.00 0.01 0.00 0.00 42.46 39.36 2ctj s ILE 65 CO 0.09 0.02 -0.12 -0.13 0.00 0.00 0.00 174.94 174.81 2ctj s ARG 66 N -2.59 0.71 0.00 2.79 0.52 0.69 -2.10 118.95 118.97 2ctj s ARG 66 Ca 0.27 -0.89 0.00 0.00 -0.52 0.00 0.00 55.73 54.59 2ctj s ARG 66 Cb -0.11 -0.62 0.00 0.00 0.52 0.00 0.00 34.95 34.74 2ctj s ARG 66 CO 0.19 0.13 0.00 0.41 0.02 0.00 0.00 175.30 176.05 2ctj n GLY 67 N 1.32 1.00 3.64 -3.53 0.00 -1.22 -1.28 105.19 105.13 2ctj n GLY 67 Ca -0.22 -1.93 -0.43 0.00 0.00 0.00 0.00 46.02 43.45 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 -1.59 3.94 0.22 1.61 0.04 -1.26 0.06 135.00 138.03 2ctj s PRO 68 Ca 0.00 1.79 -0.07 0.00 0.04 0.00 0.00 61.00 62.76 2ctj s PRO 68 Cb 0.00 -3.99 0.36 0.00 0.04 0.00 0.00 34.50 30.91 2ctj s PRO 68 CO 0.00 -1.11 1.24 -1.13 0.04 0.00 0.00 177.00 176.04 2ctj n SER 69 N 7.90 -0.29 -0.33 6.66 3.41 -1.26 0.12 113.62 129.83 2ctj n SER 69 Ca 0.18 1.37 0.14 0.00 -0.26 0.00 0.00 58.87 60.29 2ctj n SER 69 Cb 0.45 -0.41 0.28 0.00 -0.26 0.00 0.00 64.21 64.26 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 -0.41 0.08 4.04 0.87 -1.98 0.19 113.55 116.33 2ctj h SER 70 Ca 0.38 0.26 -0.22 0.00 -1.23 0.00 0.00 61.79 60.98 2ctj h SER 70 Cb 0.58 0.45 -0.01 0.00 -0.44 0.00 0.00 62.40 62.98 2ctj h SER 70 CO -0.82 -0.32 -1.16 0.44 -0.53 0.00 0.00 176.83 174.45 2ctj h ASP 71 N 0.04 0.25 -0.76 6.23 5.19 0.65 -3.37 116.42 124.65 2ctj h ASP 71 Ca 0.58 -0.81 0.16 0.00 -0.62 0.00 0.00 57.03 56.34 2ctj h ASP 71 Cb 1.18 -0.08 -0.14 0.00 0.18 0.00 0.00 39.33 40.46 2ctj h ASP 71 CO -0.87 1.50 -0.15 0.58 -3.12 0.00 0.00 179.24 177.17 2ctj h VAL 72 N -0.54 0.25 -0.99 -1.35 2.07 0.55 0.52 116.25 116.76 2ctj h VAL 72 Ca -0.26 -0.01 0.20 0.00 0.82 0.00 0.00 66.70 67.45 2ctj h VAL 72 Cb 1.56 0.24 -0.10 0.00 -1.52 0.00 0.00 31.29 31.47 2ctj h VAL 72 CO 0.00 0.00 0.62 1.05 0.02 0.00 0.00 177.57 179.26 2ctj h GLU 73 N 0.02 0.63 -0.01 1.57 4.11 -0.85 0.10 114.58 120.15 2ctj h GLU 73 Ca 0.38 -0.04 -0.24 0.00 0.07 0.00 0.00 59.36 59.53 2ctj h GLU 73 Cb 0.59 -0.14 0.02 0.00 0.50 0.00 0.00 28.75 29.72 2ctj h GLU 73 CO -0.76 0.42 -0.93 0.87 0.07 0.00 0.00 179.01 178.67 2ctj h LYS 74 N 0.65 0.66 -0.69 1.06 1.57 -0.24 -3.00 116.57 116.58 2ctj h LYS 74 Ca 0.56 -0.69 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 2ctj h LYS 74 Cb 1.03 0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.50 2ctj h LYS 74 CO -0.33 1.28 0.40 0.00 -0.57 0.00 0.00 179.45 180.23 2ctj h ALA 75 N 0.40 1.41 0.40 3.86 0.00 0.76 -1.96 119.26 124.12 2ctj h ALA 75 Ca -0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2ctj h ALA 75 Cb 1.59 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2ctj h ALA 75 CO 0.18 0.50 -0.19 -0.22 0.00 0.00 0.00 179.25 179.53 2ctj h LYS 76 N 0.95 -0.51 -0.58 0.00 3.64 -0.91 -1.01 116.57 118.15 2ctj h LYS 76 Ca 0.25 0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.83 2ctj h LYS 76 Cb -0.02 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2ctj h LYS 76 CO -0.04 -0.21 0.42 1.57 -2.27 0.00 0.00 179.45 178.91 2ctj h LYS 77 N -0.82 0.02 -0.01 1.90 2.10 -1.39 0.77 116.57 119.14 2ctj h LYS 77 Ca -0.05 -0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.42 2ctj h LYS 77 Cb 0.54 -0.01 0.01 0.00 -0.90 0.00 0.00 32.23 31.88 2ctj h LYS 77 CO 0.09 0.02 -0.65 1.96 -2.00 0.00 0.00 179.45 178.86 2ctj h GLN 78 N 0.02 0.46 -0.08 0.07 4.20 -1.17 -2.48 115.11 116.14 2ctj h GLN 78 Ca 0.28 -0.48 -0.01 0.00 0.06 0.00 0.00 58.65 58.49 2ctj h GLN 78 Cb 1.07 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.98 2ctj h GLN 78 CO -0.01 1.13 0.01 1.25 -0.67 0.00 0.00 178.83 180.54 2ctj h LEU 79 N -0.01 0.13 0.03 1.46 5.85 0.21 -2.33 115.31 120.65 2ctj h LEU 79 Ca -0.08 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.38 2ctj h LEU 79 Cb 1.35 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 2ctj h LEU 79 CO 0.13 0.37 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.45 2ctj h LEU 80 N -0.12 -0.21 -0.43 2.25 4.07 -1.02 0.25 115.31 120.09 2ctj h LEU 80 Ca 0.02 0.03 0.09 0.00 0.08 0.00 0.00 57.88 58.10 2ctj h LEU 80 Cb 0.30 0.08 -0.08 0.00 1.08 0.00 0.00 40.66 42.04 2ctj h LEU 80 CO 0.00 -0.12 -0.08 -0.74 -1.08 0.00 0.00 178.44 176.42 2ctj h HIS 81 N -0.15 -0.18 0.34 1.13 2.76 -1.44 -1.04 115.15 116.57 2ctj h HIS 81 Ca 0.02 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 2ctj h HIS 81 Cb 0.17 0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.28 2ctj h HIS 81 CO -0.13 -0.17 -0.16 -0.07 -1.30 0.00 0.00 177.93 176.10 2ctj h LEU 82 N 0.02 -0.39 -0.79 0.26 3.38 -1.14 -0.20 115.31 116.45 2ctj h LEU 82 Ca 0.21 0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.35 2ctj h LEU 82 Cb 0.32 0.10 -0.15 0.00 0.09 0.00 0.00 40.66 41.02 2ctj h LEU 82 CO -0.43 -0.20 -0.21 0.00 0.09 0.00 0.00 178.44 177.69 2ctj n ALA 83 N -2.35 0.15 -0.08 1.53 0.00 0.85 0.10 120.51 120.71 2ctj n ALA 83 Ca -0.06 0.86 -0.12 0.00 0.00 0.00 0.00 53.44 54.12 2ctj n ALA 83 Cb 0.18 -0.50 -0.05 0.00 0.00 0.00 0.00 19.45 19.08 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 0.49 -0.00 0.00 4.39 -1.22 -3.25 114.58 114.99 2ctj h GLU 84 Ca 0.36 -0.22 0.03 0.00 0.34 0.00 0.00 59.36 59.88 2ctj h GLU 84 Cb 0.56 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.16 2ctj h GLU 84 CO -0.81 0.77 -0.23 0.93 -1.16 0.00 0.00 179.01 178.51 2ctj h GLU 85 N 0.21 -0.35 -0.89 2.33 4.39 0.26 -2.74 114.58 117.79 2ctj h GLU 85 Ca 0.05 0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.88 2ctj h GLU 85 Cb 0.62 0.08 -0.13 0.00 -0.10 0.00 0.00 28.75 29.22 2ctj h GLU 85 CO 0.04 -0.23 -0.43 1.63 -1.16 0.00 0.00 179.01 178.86 2ctj n LYS 86 N -5.35 -0.29 -1.42 2.33 4.76 0.82 -4.43 118.16 114.57 2ctj n LYS 86 Ca -0.05 1.35 -0.30 0.00 -2.87 0.00 0.00 58.31 56.45 2ctj n LYS 86 Cb 0.27 -2.00 0.11 0.00 -1.84 0.00 0.00 35.03 31.57 2ctj n LYS 86 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 2ctj s GLN 87 N -5.65 1.72 -0.11 1.97 -2.07 -1.03 -5.08 119.66 109.41 2ctj s GLN 87 Ca -0.11 0.69 -0.07 0.00 -1.82 0.00 0.00 55.36 54.05 2ctj s GLN 87 Cb 0.14 -1.87 0.04 0.00 -1.09 0.00 0.00 33.01 30.23 2ctj s GLN 87 CO 0.59 -1.88 0.26 0.99 -1.32 0.00 0.00 175.29 173.93 2ctj s THR 88 N -3.08 -0.03 0.60 3.63 2.01 -1.26 -4.96 115.64 112.55 2ctj s THR 88 Ca 0.62 0.09 0.02 0.00 0.31 0.00 0.00 61.69 62.73 2ctj s THR 88 Cb -0.16 -0.39 0.11 0.00 0.01 0.00 0.00 72.50 72.08 2ctj s THR 88 CO 0.55 0.04 0.82 2.29 -0.69 0.00 0.00 174.62 177.63 2ctj n LYS 89 N 3.81 0.15 -4.26 4.92 -0.00 -1.26 -5.14 118.16 116.38 2ctj n LYS 89 Ca -0.21 -2.42 -0.14 0.00 -0.00 0.00 0.00 58.31 55.54 2ctj n LYS 89 Cb 0.55 -0.49 -0.10 0.00 -0.00 0.00 0.00 35.03 34.99 2ctj n LYS 89 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2ctj s SER 90 N -4.41 1.31 0.00 -5.58 0.01 -1.26 -5.01 113.70 98.76 2ctj s SER 90 Ca 0.56 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 56.64 2ctj s SER 90 Cb -0.03 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.30 2ctj s SER 90 CO 0.37 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 174.07 2ctj n GLY 91 N -0.27 -0.09 0.00 3.44 0.00 -1.26 -4.95 105.19 102.07 2ctj n GLY 91 Ca -0.06 0.25 0.07 0.00 0.00 0.00 0.00 46.02 46.29 2ctj n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ctj n PRO 92 N 0.00 0.30 -1.40 1.61 -0.04 -1.26 -4.86 135.00 129.36 2ctj n PRO 92 Ca 0.00 0.10 -0.38 0.00 -0.04 0.00 0.00 63.50 63.17 2ctj n PRO 92 Cb 0.00 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 31.99 2ctj n PRO 92 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2ctj n SER 93 N -1.19 -1.70 -4.68 3.54 3.41 -1.26 -4.78 113.62 106.97 2ctj n SER 93 Ca 0.09 0.70 -0.45 0.00 -0.26 0.00 0.00 58.87 58.95 2ctj n SER 93 Cb 0.10 -1.10 -0.04 0.00 -0.26 0.00 0.00 64.21 62.91 2ctj n SER 93 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2ctj n SER 94 N 0.93 3.64 -0.90 4.04 3.41 -1.26 -5.24 113.62 118.24 2ctj n SER 94 Ca 0.11 0.99 0.12 0.00 -0.26 0.00 0.00 58.87 59.83 2ctj n SER 94 Cb 0.48 -1.45 0.15 0.00 -0.26 0.00 0.00 64.21 63.12 2ctj n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49