#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 6.44 -0.06 1.61 0.15 -1.26 -4.98 113.70 115.61 2ctj s SER 2 Ca 0.00 0.40 -0.03 0.00 0.70 0.00 0.00 55.95 57.02 2ctj s SER 2 Cb 0.00 -2.55 0.04 0.00 -1.71 0.00 0.00 66.02 61.80 2ctj s SER 2 CO 0.00 -1.43 0.10 -0.55 1.20 0.00 0.00 173.24 172.56 2ctj s SER 3 N 3.19 1.00 -0.43 5.45 0.15 -1.26 -5.08 113.70 116.72 2ctj s SER 3 Ca 0.50 0.17 0.05 0.00 0.70 0.00 0.00 55.95 57.37 2ctj s SER 3 Cb -0.09 0.01 0.19 0.00 -1.71 0.00 0.00 66.02 64.43 2ctj s SER 3 CO 0.29 -0.25 0.47 0.61 1.20 0.00 0.00 173.24 175.56 2ctj n GLY 4 N 5.31 1.71 2.46 9.45 0.00 -1.26 -5.13 105.19 117.73 2ctj n GLY 4 Ca -0.04 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 2ctj n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ctj n SER 5 N 2.52 -2.57 -0.08 1.61 7.64 -1.26 -4.92 113.62 116.56 2ctj n SER 5 Ca 0.25 0.53 -0.13 0.00 1.01 0.00 0.00 58.87 60.53 2ctj n SER 5 Cb 0.51 -0.65 -0.08 0.00 -1.01 0.00 0.00 64.21 62.98 2ctj n SER 5 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2ctj h SER 6 N 0.08 0.00 -0.09 6.43 0.02 -2.07 -3.50 113.55 114.42 2ctj h SER 6 Ca -0.30 -0.44 0.00 0.00 -0.84 0.00 0.00 61.79 60.21 2ctj h SER 6 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2ctj h SER 6 CO 0.33 1.08 0.00 0.61 -1.14 0.00 0.00 176.83 177.70 2ctj n GLY 7 N 1.56 0.59 3.34 -3.77 0.00 -1.26 -5.07 105.19 100.58 2ctj n GLY 7 Ca -0.17 -0.19 -0.45 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.29 6.19 -0.31 1.61 0.15 -1.26 -5.03 113.70 113.76 2ctj s SER 8 Ca 0.00 -1.64 -0.06 0.00 0.70 0.00 0.00 55.95 54.95 2ctj s SER 8 Cb 0.00 -2.24 0.03 0.00 -1.71 0.00 0.00 66.02 62.09 2ctj s SER 8 CO 0.00 -0.95 0.07 -0.63 1.20 0.00 0.00 173.24 172.93 2ctj s ILE 9 N 2.01 3.74 0.11 6.45 1.01 -1.26 -5.09 121.20 128.17 2ctj s ILE 9 Ca 0.06 -0.94 0.10 0.00 0.00 0.00 0.00 60.65 59.87 2ctj s ILE 9 Cb -0.28 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 2ctj s ILE 9 CO 0.04 -0.03 -0.26 0.00 0.00 0.00 0.00 174.94 174.70 2ctj s GLN 10 N 1.43 1.39 -1.67 2.79 1.03 -1.26 -4.73 119.66 118.65 2ctj s GLN 10 Ca 0.00 -1.28 -0.17 0.00 0.04 0.00 0.00 55.36 53.95 2ctj s GLN 10 Cb -0.18 -1.81 0.17 0.00 0.03 0.00 0.00 33.01 31.23 2ctj s GLN 10 CO 0.02 0.43 0.44 1.63 -2.54 0.00 0.00 175.29 175.26 2ctj n LYS 11 N 1.06 -0.78 -3.69 9.60 4.76 -1.26 -4.88 118.16 122.97 2ctj n LYS 11 Ca -0.18 0.12 -0.10 0.00 -2.87 0.00 0.00 58.31 55.27 2ctj n LYS 11 Cb 0.53 -4.11 -0.10 0.00 -1.84 0.00 0.00 35.03 29.50 2ctj n LYS 11 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2ctj s ASP 12 N -3.32 -0.57 -0.22 4.39 2.15 -1.26 -5.14 116.67 112.70 2ctj s ASP 12 Ca 0.61 0.99 0.00 0.00 0.43 0.00 0.00 52.55 54.58 2ctj s ASP 12 Cb -0.36 0.89 0.06 0.00 -0.30 0.00 0.00 42.92 43.21 2ctj s ASP 12 CO 0.94 -0.19 -0.05 -0.76 -0.17 0.00 0.00 175.17 174.94 2ctj s LEU 13 N 1.23 2.23 0.16 -1.34 1.02 -1.26 -5.00 118.68 115.72 2ctj s LEU 13 Ca -0.08 -1.03 -0.24 0.00 0.02 0.00 0.00 54.13 52.80 2ctj s LEU 13 Cb -0.07 -1.07 0.06 0.00 0.02 0.00 0.00 46.19 45.12 2ctj s LEU 13 CO -0.11 -0.23 0.87 0.00 0.02 0.00 0.00 176.35 176.90 2ctj s ALA 14 N 1.49 -1.57 -0.06 4.21 0.00 -1.26 -5.07 121.76 119.49 2ctj s ALA 14 Ca -0.04 0.16 0.03 0.00 0.00 0.00 0.00 51.96 52.11 2ctj s ALA 14 Cb -0.18 0.68 -0.06 0.00 0.00 0.00 0.00 23.12 23.55 2ctj s ALA 14 CO -0.07 -0.98 -0.01 0.27 0.00 0.00 0.00 175.76 174.97 2ctj n ASN 15 N -0.44 3.53 -3.51 0.00 6.94 -1.26 -5.05 115.26 115.47 2ctj n ASN 15 Ca -0.07 -0.01 -0.35 0.00 -0.02 0.00 0.00 54.58 54.12 2ctj n ASN 15 Cb 0.61 0.36 -0.01 0.00 -2.36 0.00 0.00 39.78 38.38 2ctj n ASN 15 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 2ctj n ILE 16 N -2.40 0.86 -4.02 1.53 2.08 -1.26 -4.80 119.36 111.36 2ctj n ILE 16 Ca -0.11 -0.41 -0.31 0.00 0.56 0.00 0.00 62.75 62.49 2ctj n ILE 16 Cb 0.67 0.00 -0.15 0.00 -0.75 0.00 0.00 39.64 39.40 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 -1.19 2.25 -0.29 -1.39 0.00 0.82 -4.95 121.76 117.01 2ctj s ALA 17 Ca 0.49 -1.49 -0.20 0.00 0.00 0.00 0.00 51.96 50.76 2ctj s ALA 17 Cb -0.59 -1.45 -0.01 0.00 0.00 0.00 0.00 23.12 21.07 2ctj s ALA 17 CO 0.49 -1.06 0.64 -2.00 0.00 0.00 0.00 175.76 173.83 2ctj s GLU 18 N 1.27 3.99 -0.11 0.00 -6.30 -1.26 -3.59 118.70 112.70 2ctj s GLU 18 Ca -0.05 0.42 -0.01 0.00 -2.50 0.00 0.00 54.97 52.82 2ctj s GLU 18 Cb -0.18 -3.70 0.03 0.00 0.00 0.00 0.00 34.13 30.28 2ctj s GLU 18 CO -0.07 -0.52 -0.06 0.08 0.02 0.00 0.00 175.26 174.72 2ctj s VAL 19 N 2.59 0.90 0.35 3.70 1.01 -0.96 -4.99 120.40 123.00 2ctj s VAL 19 Ca 0.26 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.05 2ctj s VAL 19 Cb -0.15 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 2ctj s VAL 19 CO 0.10 0.34 0.52 -1.61 0.00 0.00 0.00 175.10 174.45 2ctj s GLU 20 N 1.76 3.27 0.06 2.72 2.02 -1.26 -2.56 118.70 124.70 2ctj s GLU 20 Ca 0.05 -0.65 -0.00 0.00 0.02 0.00 0.00 54.97 54.38 2ctj s GLU 20 Cb -0.13 -2.73 -0.04 0.00 0.10 0.00 0.00 34.13 31.34 2ctj s GLU 20 CO -0.08 0.08 -0.04 0.54 0.02 0.00 0.00 175.26 175.79 2ctj s VAL 21 N -2.26 0.31 -0.40 2.63 0.11 -0.76 -4.98 120.40 115.05 2ctj s VAL 21 Ca 0.42 -1.70 -0.19 0.00 -2.93 0.00 0.00 61.98 57.57 2ctj s VAL 21 Cb -0.10 -1.37 0.01 0.00 -1.53 0.00 0.00 36.38 33.39 2ctj s VAL 21 CO 0.34 -0.89 0.57 -0.55 -3.33 0.00 0.00 175.10 171.23 2ctj s SER 22 N -2.73 6.31 -0.20 3.54 0.15 -1.26 -2.49 113.70 117.02 2ctj s SER 22 Ca 0.05 -0.27 -0.15 0.00 0.70 0.00 0.00 55.95 56.27 2ctj s SER 22 Cb 0.05 -2.29 0.06 0.00 -1.71 0.00 0.00 66.02 62.12 2ctj s SER 22 CO -0.08 -0.65 0.52 -0.63 1.20 0.00 0.00 173.24 173.60 2ctj s ILE 23 N 2.58 -0.01 0.72 6.45 1.01 -0.93 -5.03 121.20 125.99 2ctj s ILE 23 Ca 0.20 0.02 -0.12 0.00 0.00 0.00 0.00 60.65 60.75 2ctj s ILE 23 Cb -0.15 -0.73 0.03 0.00 0.01 0.00 0.00 42.46 41.62 2ctj s ILE 23 CO 0.16 0.01 1.10 -2.16 0.00 0.00 0.00 174.94 174.05 2ctj s PRO 24 N 0.76 2.49 0.46 2.79 0.04 -1.26 -4.04 135.00 136.23 2ctj s PRO 24 Ca -0.04 1.26 0.26 0.00 0.04 0.00 0.00 61.00 62.52 2ctj s PRO 24 Cb -0.05 -1.92 0.85 0.00 0.04 0.00 0.00 34.50 33.42 2ctj s PRO 24 CO -0.06 -1.47 1.79 0.00 0.04 0.00 0.00 177.00 177.30 2ctj h ALA 25 N -0.63 0.97 0.00 8.56 0.00 -1.91 -2.99 119.26 123.27 2ctj h ALA 25 Ca -0.45 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.29 2ctj h ALA 25 Cb 1.24 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2ctj h ALA 25 CO 0.53 0.18 -0.19 1.57 0.00 0.00 0.00 179.25 181.33 2ctj h LYS 26 N 0.00 0.00 0.15 0.00 2.10 -1.99 -2.81 116.57 114.02 2ctj h LYS 26 Ca -0.00 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.32 2ctj h LYS 26 Cb 0.79 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.13 2ctj h LYS 26 CO 0.02 0.19 -1.64 -0.07 -2.00 0.00 0.00 179.45 175.95 2ctj h LEU 27 N 0.00 0.50 0.00 7.07 3.38 -1.91 -3.39 115.31 120.95 2ctj h LEU 27 Ca -0.00 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.25 2ctj h LEU 27 Cb 0.38 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2ctj h LEU 27 CO 0.03 1.61 0.00 1.41 0.09 0.00 0.00 178.44 181.57 2ctj n HIS 28 N -3.51 0.00 -0.31 1.13 8.25 -1.06 0.19 115.22 119.90 2ctj n HIS 28 Ca -0.20 0.00 0.28 0.00 -0.26 0.00 0.00 57.72 57.54 2ctj n HIS 28 Cb 1.06 -0.41 0.50 0.00 1.12 0.00 0.00 29.99 32.26 2ctj n HIS 28 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2ctj n ASN 29 N -2.58 0.21 0.09 0.41 2.85 -1.24 0.20 115.26 115.21 2ctj n ASN 29 Ca 0.00 1.18 -0.07 0.00 -0.11 0.00 0.00 54.58 55.58 2ctj n ASN 29 Cb 0.00 -0.58 -0.04 0.00 1.24 0.00 0.00 39.78 40.40 2ctj n ASN 29 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2ctj h SER 30 N 0.00 -0.27 -0.17 1.20 0.02 -0.45 -2.55 113.55 111.33 2ctj h SER 30 Ca 0.67 -0.10 0.05 0.00 -0.84 0.00 0.00 61.79 61.58 2ctj h SER 30 Cb 2.00 0.07 -0.06 0.00 0.14 0.00 0.00 62.40 64.54 2ctj h SER 30 CO -0.47 0.22 -0.26 -0.07 -1.14 0.00 0.00 176.83 175.11 2ctj h LEU 31 N -1.05 -0.83 0.32 5.07 3.38 0.33 -2.81 115.31 119.72 2ctj h LEU 31 Ca -0.03 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2ctj h LEU 31 Cb 0.35 0.37 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 2ctj h LEU 31 CO 0.05 -0.31 -0.50 0.40 0.09 0.00 0.00 178.44 178.18 2ctj h ILE 32 N -0.31 0.03 0.00 1.22 2.04 -0.68 -3.33 117.51 116.48 2ctj h ILE 32 Ca 0.11 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.97 2ctj h ILE 32 Cb 0.48 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 2ctj h ILE 32 CO -0.35 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.41 2ctj n GLY 33 N -1.52 -0.67 0.11 5.37 0.00 -0.96 -2.16 105.19 105.35 2ctj n GLY 33 Ca -0.10 -2.26 -0.10 0.00 0.00 0.00 0.00 46.02 43.56 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 1.06 0.00 2.61 1.03 -1.89 -3.27 112.91 112.44 2ctj h THR 34 Ca 0.00 -0.11 -0.05 0.00 -0.01 0.00 0.00 66.41 66.24 2ctj h THR 34 Cb 0.00 0.77 -0.11 0.00 -1.07 0.00 0.00 68.15 67.74 2ctj h THR 34 CO 0.00 0.05 -0.57 2.29 -0.01 0.00 0.00 175.52 177.28 2ctj n LYS 35 N -4.94 0.90 -3.01 0.00 2.85 -1.26 -4.98 118.16 107.71 2ctj n LYS 35 Ca -0.03 -2.56 -0.12 0.00 -1.05 0.00 0.00 58.31 54.55 2ctj n LYS 35 Cb 0.03 -1.01 0.06 0.00 -0.65 0.00 0.00 35.03 33.46 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 -0.58 -0.06 0.06 2.58 0.00 -1.24 -4.95 105.19 101.01 2ctj n GLY 36 Ca 0.13 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.09 2ctj n GLY 36 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2ctj n ARG 37 N -3.15 0.65 0.08 1.61 1.85 -1.12 -3.10 116.66 113.50 2ctj n ARG 37 Ca -0.13 -0.03 -0.05 0.00 -1.00 0.00 0.00 57.85 56.64 2ctj n ARG 37 Cb 0.59 -1.61 -0.05 0.00 -1.05 0.00 0.00 32.46 30.33 2ctj n ARG 37 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 2ctj h LEU 38 N 0.00 0.00 0.07 2.89 3.38 -1.64 -3.16 115.31 116.85 2ctj h LEU 38 Ca -0.17 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.52 2ctj h LEU 38 Cb 1.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.17 2ctj h LEU 38 CO 0.02 0.87 -1.47 0.40 0.09 0.00 0.00 178.44 178.35 2ctj h ILE 39 N 0.00 0.90 -0.98 1.22 1.08 -1.66 -3.33 117.51 114.74 2ctj h ILE 39 Ca -0.01 -2.30 0.16 0.00 -0.39 0.00 0.00 64.86 62.33 2ctj h ILE 39 Cb 1.62 2.50 -0.10 0.00 -3.07 0.00 0.00 36.82 37.76 2ctj h ILE 39 CO 0.11 0.61 0.59 0.08 -0.69 0.00 0.00 178.15 178.86 2ctj h ARG 40 N -0.48 0.79 0.58 2.37 0.11 -1.67 -2.25 114.38 113.82 2ctj h ARG 40 Ca -0.34 -0.05 -0.03 0.00 0.10 0.00 0.00 59.98 59.66 2ctj h ARG 40 Cb 1.64 -0.18 0.01 0.00 1.11 0.00 0.00 29.97 32.55 2ctj h ARG 40 CO -0.04 0.52 -0.28 1.03 0.10 0.00 0.00 179.97 181.31 2ctj h SER 41 N 0.81 -0.66 -0.93 0.08 0.87 -1.71 -2.02 113.55 110.00 2ctj h SER 41 Ca 0.54 0.02 0.24 0.00 -1.23 0.00 0.00 61.79 61.36 2ctj h SER 41 Cb 0.75 0.17 -0.17 0.00 -0.44 0.00 0.00 62.40 62.71 2ctj h SER 41 CO -0.35 -0.46 0.01 0.40 -0.53 0.00 0.00 176.83 175.90 2ctj h ILE 42 N -0.79 0.11 -0.67 2.23 2.04 -1.59 1.19 117.51 120.02 2ctj h ILE 42 Ca -0.08 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.78 2ctj h ILE 42 Cb 0.59 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 2ctj h ILE 42 CO 0.13 0.01 0.45 0.24 0.00 0.00 0.00 178.15 178.97 2ctj h MET 43 N 0.04 0.87 0.31 2.37 2.86 -1.30 0.28 114.93 120.36 2ctj h MET 43 Ca 0.54 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 58.12 2ctj h MET 43 Cb 1.06 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.53 2ctj h MET 43 CO -0.86 0.58 -0.15 1.49 1.06 0.00 0.00 176.91 179.03 2ctj h GLU 44 N 0.90 -0.40 -0.73 1.72 4.57 0.21 0.45 114.58 121.30 2ctj h GLU 44 Ca 0.25 0.03 0.09 0.00 -1.18 0.00 0.00 59.36 58.55 2ctj h GLU 44 Cb -0.07 0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.56 2ctj h GLU 44 CO -0.06 -0.19 0.48 1.05 -1.18 0.00 0.00 179.01 179.11 2ctj h GLU 45 N -1.07 0.63 0.05 1.92 4.11 -0.72 -2.27 114.58 117.22 2ctj h GLU 45 Ca -0.04 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.35 2ctj h GLU 45 Cb 0.39 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2ctj h GLU 45 CO 0.07 0.41 -0.02 0.00 0.07 0.00 0.00 179.01 179.54 2ctj n GLY 47 N -0.55 1.10 0.00 0.00 0.00 -0.86 -4.91 105.19 99.97 2ctj n GLY 47 Ca -0.08 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.03 3.87 -0.02 0.00 0.15 -4.89 105.19 104.33 2ctj n GLY 48 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.04 4.03 -0.12 1.61 -7.23 -1.20 -4.99 120.40 112.46 2ctj s VAL 49 Ca 0.00 0.66 0.01 0.00 -1.81 0.00 0.00 61.98 60.84 2ctj s VAL 49 Cb 0.00 -3.63 -0.01 0.00 0.56 0.00 0.00 36.38 33.30 2ctj s VAL 49 CO 0.00 -0.86 -0.18 -1.00 -0.31 0.00 0.00 175.10 172.75 2ctj s HIS 50 N -3.26 2.71 -0.11 2.82 0.09 -0.57 -4.76 115.29 112.21 2ctj s HIS 50 Ca 0.57 -0.86 0.01 0.00 -0.00 0.00 0.00 55.06 54.77 2ctj s HIS 50 Cb -0.11 -1.80 -0.02 0.00 -0.00 0.00 0.00 32.58 30.65 2ctj s HIS 50 CO 0.53 -0.33 -0.12 0.42 -0.00 0.00 0.00 174.74 175.24 2ctj s ILE 51 N 0.42 3.18 -0.15 0.60 1.01 -1.26 -0.33 121.20 124.68 2ctj s ILE 51 Ca -0.13 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 59.85 2ctj s ILE 51 Cb -0.17 -2.32 -0.03 0.00 0.01 0.00 0.00 42.46 39.96 2ctj s ILE 51 CO 0.06 0.54 -0.05 -1.00 0.00 0.00 0.00 174.94 174.49 2ctj s HIS 52 N -0.00 3.00 -0.15 3.97 3.76 0.84 -5.02 115.29 121.69 2ctj s HIS 52 Ca -0.03 -0.34 0.02 0.00 -0.15 0.00 0.00 55.06 54.56 2ctj s HIS 52 Cb -0.14 -1.94 0.01 0.00 1.11 0.00 0.00 32.58 31.63 2ctj s HIS 52 CO 0.04 -0.05 -0.20 -0.06 -0.85 0.00 0.00 174.74 173.62 2ctj s PHE 53 N 0.33 2.61 0.54 1.40 0.08 -1.26 -2.70 117.98 118.96 2ctj s PHE 53 Ca -0.05 -1.39 -0.20 0.00 0.12 0.00 0.00 56.93 55.41 2ctj s PHE 53 Cb -0.14 -1.80 -0.06 0.00 -0.57 0.00 0.00 43.02 40.45 2ctj s PHE 53 CO 0.03 -0.66 1.13 -1.25 -0.10 0.00 0.00 175.22 174.37 2ctj s PRO 54 N 1.02 3.40 0.17 0.24 0.04 -1.26 -4.99 135.00 133.61 2ctj s PRO 54 Ca -0.03 1.62 -0.30 0.00 0.04 0.00 0.00 61.00 62.33 2ctj s PRO 54 Cb -0.15 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.28 2ctj s PRO 54 CO -0.06 -0.81 1.14 0.08 0.04 0.00 0.00 177.00 177.39 2ctj s VAL 55 N -1.76 3.78 0.24 -0.36 1.01 -1.26 -4.91 120.40 117.14 2ctj s VAL 55 Ca 0.72 1.50 -0.08 0.00 0.00 0.00 0.00 61.98 64.12 2ctj s VAL 55 Cb -0.24 -3.96 0.27 0.00 0.00 0.00 0.00 36.38 32.45 2ctj s VAL 55 CO 0.27 0.24 1.64 1.05 0.00 0.00 0.00 175.10 178.30 2ctj h GLU 56 N 5.27 0.09 -0.67 2.72 4.11 -1.93 -0.27 114.58 123.91 2ctj h GLU 56 Ca -0.44 -0.01 0.14 0.00 0.07 0.00 0.00 59.36 59.12 2ctj h GLU 56 Cb 1.21 -0.02 -0.12 0.00 0.50 0.00 0.00 28.75 30.32 2ctj h GLU 56 CO 0.74 0.06 -0.07 0.78 0.07 0.00 0.00 179.01 180.58 2ctj h GLY 57 N 0.09 0.62 0.27 1.06 0.00 -2.00 -1.53 103.07 101.58 2ctj h GLY 57 Ca 0.40 0.15 0.04 0.00 0.00 0.00 0.00 47.33 47.92 2ctj h GLY 57 CO -0.66 -0.25 -0.27 0.23 0.00 0.00 0.00 176.54 175.60 2ctj h SER 58 N 0.06 -0.84 -0.00 0.19 0.87 -1.43 -3.47 113.55 108.93 2ctj h SER 58 Ca 0.34 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 61.03 2ctj h SER 58 Cb 0.55 0.36 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 2ctj h SER 58 CO -0.63 -0.32 0.00 0.61 -0.53 0.00 0.00 176.83 175.96 2ctj n GLY 59 N -1.39 0.84 3.10 5.77 0.00 -0.58 -5.09 105.19 107.85 2ctj n GLY 59 Ca -0.03 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.69 3.69 -0.52 1.61 0.15 -1.26 -5.00 113.70 110.69 2ctj s SER 60 Ca 0.00 -0.96 -0.01 0.00 0.70 0.00 0.00 55.95 55.68 2ctj s SER 60 Cb 0.00 -1.51 0.42 0.00 -1.71 0.00 0.00 66.02 63.22 2ctj s SER 60 CO 0.00 -0.08 1.97 0.47 1.20 0.00 0.00 173.24 176.80 2ctj n ASP 61 N 4.54 6.47 -4.16 5.45 8.00 -1.26 -4.60 116.55 130.99 2ctj n ASP 61 Ca -0.18 -3.52 -0.33 0.00 0.71 0.00 0.00 54.79 51.47 2ctj n ASP 61 Cb 0.47 -0.95 -0.16 0.00 -0.02 0.00 0.00 41.12 40.45 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 -3.75 2.19 -0.28 -3.53 2.01 -1.26 -2.18 115.64 108.85 2ctj s THR 62 Ca 0.53 -0.91 -0.11 0.00 0.31 0.00 0.00 61.69 61.51 2ctj s THR 62 Cb 0.42 -1.91 -0.05 0.00 0.01 0.00 0.00 72.50 70.97 2ctj s THR 62 CO 0.02 0.53 0.17 -0.69 -0.69 0.00 0.00 174.62 173.96 2ctj s VAL 63 N 1.10 5.19 -0.22 3.82 1.01 -1.04 -4.50 120.40 125.76 2ctj s VAL 63 Ca 0.00 0.13 -0.13 0.00 0.00 0.00 0.00 61.98 61.98 2ctj s VAL 63 Cb -0.14 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 2ctj s VAL 63 CO -0.08 0.26 0.25 -0.69 0.00 0.00 0.00 175.10 174.85 2ctj s VAL 64 N 1.73 5.30 -0.01 2.92 1.01 -1.10 -1.82 120.40 128.43 2ctj s VAL 64 Ca 0.07 0.39 0.06 0.00 0.00 0.00 0.00 61.98 62.50 2ctj s VAL 64 Cb -0.16 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 2ctj s VAL 64 CO 0.10 0.31 -0.19 -0.63 0.00 0.00 0.00 175.10 174.69 2ctj s ILE 65 N 1.13 2.70 0.08 2.22 1.01 -1.06 -0.11 121.20 127.16 2ctj s ILE 65 Ca 0.12 -1.01 0.08 0.00 0.00 0.00 0.00 60.65 59.84 2ctj s ILE 65 Cb -0.14 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 2ctj s ILE 65 CO 0.06 0.49 -0.21 -0.13 0.00 0.00 0.00 174.94 175.14 2ctj s ARG 66 N -0.99 1.23 0.00 2.79 0.52 0.55 -2.28 118.95 120.78 2ctj s ARG 66 Ca 0.12 -1.07 0.00 0.00 -0.52 0.00 0.00 55.73 54.27 2ctj s ARG 66 Cb -0.10 -1.43 0.00 0.00 0.52 0.00 0.00 34.95 33.93 2ctj s ARG 66 CO 0.02 0.35 0.00 0.41 0.02 0.00 0.00 175.30 176.10 2ctj n GLY 67 N 1.41 0.94 3.67 -3.53 0.00 -1.24 -1.51 105.19 104.94 2ctj n GLY 67 Ca -0.19 -1.91 -0.42 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 -1.65 4.23 0.51 1.61 0.04 -1.26 -0.13 135.00 138.35 2ctj s PRO 68 Ca 0.00 2.01 0.41 0.00 0.04 0.00 0.00 61.00 63.47 2ctj s PRO 68 Cb 0.00 -3.78 1.60 0.00 0.04 0.00 0.00 34.50 32.37 2ctj s PRO 68 CO 0.00 -0.72 1.63 0.66 0.04 0.00 0.00 177.00 178.61 2ctj h SER 69 N 8.61 0.08 -0.59 6.66 4.64 -1.87 1.12 113.55 132.20 2ctj h SER 69 Ca -0.36 0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 60.99 2ctj h SER 69 Cb 1.16 0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 2ctj h SER 69 CO 0.94 -0.06 0.30 -1.28 -0.87 0.00 0.00 176.83 175.85 2ctj h SER 70 N 0.03 0.76 0.96 4.97 0.87 -1.98 -1.75 113.55 117.41 2ctj h SER 70 Ca 0.84 -0.12 -0.09 0.00 -1.23 0.00 0.00 61.79 61.19 2ctj h SER 70 Cb 3.13 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 64.88 2ctj h SER 70 CO -0.15 0.67 -1.09 0.44 -0.53 0.00 0.00 176.83 176.17 2ctj h ASP 71 N 0.80 0.00 -0.51 6.23 5.19 0.69 -3.35 116.42 125.46 2ctj h ASP 71 Ca 0.20 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.51 2ctj h ASP 71 Cb 0.10 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.59 2ctj h ASP 71 CO -0.03 0.32 -0.08 0.58 -3.12 0.00 0.00 179.24 176.91 2ctj h VAL 72 N 0.00 1.27 -0.96 -1.35 2.07 -0.09 -1.34 116.25 115.84 2ctj h VAL 72 Ca -0.08 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.23 2ctj h VAL 72 Cb 1.31 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 2ctj h VAL 72 CO 0.03 0.43 0.61 1.05 0.02 0.00 0.00 177.57 179.71 2ctj h GLU 73 N 0.89 1.29 -0.12 1.57 4.11 -1.45 0.16 114.58 121.02 2ctj h GLU 73 Ca 0.15 -0.10 -0.22 0.00 0.07 0.00 0.00 59.36 59.26 2ctj h GLU 73 Cb 0.63 -0.28 0.01 0.00 0.50 0.00 0.00 28.75 29.61 2ctj h GLU 73 CO 0.04 0.88 -0.80 0.87 0.07 0.00 0.00 179.01 180.07 2ctj h LYS 74 N 1.32 0.71 -0.58 1.06 1.57 -1.67 -2.57 116.57 116.40 2ctj h LYS 74 Ca 0.35 -0.60 -0.07 0.00 -1.87 0.00 0.00 60.65 58.46 2ctj h LYS 74 Cb -0.10 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2ctj h LYS 74 CO -0.07 1.21 0.06 0.00 -0.57 0.00 0.00 179.45 180.08 2ctj h ALA 75 N 0.62 1.02 0.30 3.86 0.00 -0.86 -2.14 119.26 122.06 2ctj h ALA 75 Ca -0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2ctj h ALA 75 Cb 1.42 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2ctj h ALA 75 CO 0.16 0.62 -0.14 -0.22 0.00 0.00 0.00 179.25 179.66 2ctj h LYS 76 N 0.89 -0.38 -0.62 0.00 3.64 -0.98 -1.55 116.57 117.57 2ctj h LYS 76 Ca 0.18 0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.75 2ctj h LYS 76 Cb 0.43 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 2ctj h LYS 76 CO 0.01 -0.05 0.43 1.57 -2.27 0.00 0.00 179.45 179.14 2ctj h LYS 77 N -0.77 0.09 -0.05 1.90 2.10 -1.45 0.14 116.57 118.54 2ctj h LYS 77 Ca -0.04 -0.01 -0.20 0.00 -2.00 0.00 0.00 60.65 58.41 2ctj h LYS 77 Cb 0.50 -0.02 0.01 0.00 -0.90 0.00 0.00 32.23 31.83 2ctj h LYS 77 CO 0.07 0.06 -0.73 1.96 -2.00 0.00 0.00 179.45 178.80 2ctj h GLN 78 N 0.09 0.58 -0.46 0.07 4.20 -1.26 -2.66 115.11 115.67 2ctj h GLN 78 Ca 0.30 -0.56 -0.12 0.00 0.06 0.00 0.00 58.65 58.32 2ctj h GLN 78 Cb 1.05 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.96 2ctj h GLN 78 CO -0.03 1.18 -0.19 1.25 -0.67 0.00 0.00 178.83 180.38 2ctj h LEU 79 N 0.19 0.96 -0.43 1.46 5.85 -0.08 -2.30 115.31 120.96 2ctj h LEU 79 Ca -0.08 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 2ctj h LEU 79 Cb 1.40 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 2ctj h LEU 79 CO 0.15 1.13 0.22 -0.07 -0.34 0.00 0.00 178.44 179.53 2ctj h LEU 80 N 0.78 0.55 0.77 2.25 4.07 -0.87 0.12 115.31 122.97 2ctj h LEU 80 Ca 0.11 -0.11 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 2ctj h LEU 80 Cb 0.75 -0.14 0.01 0.00 1.08 0.00 0.00 40.66 42.36 2ctj h LEU 80 CO 0.06 0.51 -0.37 -0.74 -1.08 0.00 0.00 178.44 176.82 2ctj h HIS 81 N 0.55 -0.95 0.53 1.13 2.76 -1.42 -2.97 115.15 114.78 2ctj h HIS 81 Ca 0.15 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.28 2ctj h HIS 81 Cb 0.09 0.32 -0.01 0.00 1.55 0.00 0.00 27.41 29.36 2ctj h HIS 81 CO -0.02 -0.59 -0.40 -0.07 -1.30 0.00 0.00 177.93 175.56 2ctj h LEU 82 N -1.06 -1.05 -0.73 0.26 3.38 -1.39 0.44 115.31 115.16 2ctj h LEU 82 Ca -0.11 0.07 0.21 0.00 0.09 0.00 0.00 57.88 58.15 2ctj h LEU 82 Cb 0.80 0.33 -0.14 0.00 0.09 0.00 0.00 40.66 41.74 2ctj h LEU 82 CO 0.17 -0.59 0.06 0.00 0.09 0.00 0.00 178.44 178.18 2ctj n ALA 83 N -2.67 0.42 -0.05 1.53 0.00 0.41 0.01 120.51 120.16 2ctj n ALA 83 Ca -0.12 0.78 -0.11 0.00 0.00 0.00 0.00 53.44 53.99 2ctj n ALA 83 Cb 0.41 -0.59 -0.10 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.02 -0.83 0.00 4.39 -1.29 -3.34 114.58 113.49 2ctj h GLU 84 Ca 0.46 0.00 0.18 0.00 0.34 0.00 0.00 59.36 60.35 2ctj h GLU 84 Cb 1.00 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.50 2ctj h GLU 84 CO -0.67 0.73 -0.14 0.93 -1.16 0.00 0.00 179.01 178.70 2ctj h GLU 85 N -0.94 0.02 -0.52 2.33 4.39 0.18 0.52 114.58 120.57 2ctj h GLU 85 Ca -0.00 -0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.79 2ctj h GLU 85 Cb 0.76 -0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.30 2ctj h GLU 85 CO 0.00 0.01 -0.32 0.87 -1.16 0.00 0.00 179.01 178.42 2ctj h LYS 86 N 0.02 -0.18 -5.30 2.33 6.56 -0.87 -3.11 116.57 116.02 2ctj h LYS 86 Ca 0.42 0.01 -0.70 0.00 -1.06 0.00 0.00 60.65 59.32 2ctj h LYS 86 Cb 0.70 0.04 -0.13 0.00 -0.57 0.00 0.00 32.23 32.27 2ctj h LYS 86 CO -0.82 -0.12 1.67 1.14 -2.06 0.00 0.00 179.45 179.26 2ctj s GLN 87 N -6.02 3.99 -0.12 3.15 -2.07 0.17 -4.90 119.66 113.86 2ctj s GLN 87 Ca -0.14 -2.20 -0.04 0.00 -1.82 0.00 0.00 55.36 51.16 2ctj s GLN 87 Cb 0.15 -5.26 0.06 0.00 -1.09 0.00 0.00 33.01 26.87 2ctj s GLN 87 CO 0.69 -1.99 0.17 0.99 -1.32 0.00 0.00 175.29 173.83 2ctj s THR 88 N 2.93 -0.26 0.79 3.63 2.01 -1.18 -4.94 115.64 118.62 2ctj s THR 88 Ca 0.47 0.18 -0.10 0.00 0.31 0.00 0.00 61.69 62.55 2ctj s THR 88 Cb -0.00 -0.43 0.10 0.00 0.01 0.00 0.00 72.50 72.18 2ctj s THR 88 CO 0.02 0.01 1.13 -0.54 -0.69 0.00 0.00 174.62 174.55 2ctj s LYS 89 N 2.29 1.81 0.85 4.92 3.01 -1.26 -5.04 119.74 126.32 2ctj s LYS 89 Ca 0.04 -0.18 -0.10 0.00 -1.01 0.00 0.00 55.97 54.71 2ctj s LYS 89 Cb -0.13 -2.04 0.11 0.00 -1.01 0.00 0.00 37.83 34.76 2ctj s LYS 89 CO -0.08 -1.59 1.13 -1.12 0.51 0.00 0.00 175.35 174.20 2ctj s SER 90 N -4.62 3.57 0.00 2.83 0.01 -1.26 -4.67 113.70 109.56 2ctj s SER 90 Ca 0.64 2.07 0.00 0.00 1.31 0.00 0.00 55.95 59.96 2ctj s SER 90 Cb -0.09 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.58 2ctj s SER 90 CO 0.48 -2.67 0.00 0.61 0.41 0.00 0.00 173.24 172.07 2ctj n GLY 91 N -0.30 1.00 3.55 3.44 0.00 -1.26 -5.05 105.19 106.58 2ctj n GLY 91 Ca 0.11 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 2.60 0.04 1.61 0.04 -1.26 -4.96 135.00 133.07 2ctj s PRO 92 Ca 0.00 0.29 0.07 0.00 0.04 0.00 0.00 61.00 61.40 2ctj s PRO 92 Cb 0.00 -4.62 -0.03 0.00 0.04 0.00 0.00 34.50 29.89 2ctj s PRO 92 CO 0.00 -2.96 -0.19 -1.54 0.04 0.00 0.00 177.00 172.36 2ctj s SER 93 N 8.07 3.75 0.17 6.66 1.04 -1.26 -5.14 113.70 127.00 2ctj s SER 93 Ca 0.68 -0.43 0.11 0.00 0.48 0.00 0.00 55.95 56.79 2ctj s SER 93 Cb -0.11 -0.59 -0.04 0.00 0.10 0.00 0.00 66.02 65.38 2ctj s SER 93 CO 0.13 0.26 -0.24 -0.55 0.98 0.00 0.00 173.24 173.82 2ctj s SER 94 N -1.38 3.31 0.00 7.02 0.15 -1.26 -5.31 113.70 116.24 2ctj s SER 94 Ca 0.14 -0.83 0.00 0.00 0.70 0.00 0.00 55.95 55.96 2ctj s SER 94 Cb -0.10 -0.23 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 2ctj s SER 94 CO 0.05 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.22