#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 -0.78 0.33 1.61 0.15 -1.26 -5.15 113.70 108.60 2ctj s SER 2 Ca 0.00 1.05 -0.26 0.00 0.70 0.00 0.00 55.95 57.44 2ctj s SER 2 Cb 0.00 1.88 -0.14 0.00 -1.71 0.00 0.00 66.02 66.06 2ctj s SER 2 CO 0.00 -0.15 0.85 -0.24 1.20 0.00 0.00 173.24 174.90 2ctj n SER 3 N 5.15 0.50 0.00 5.45 2.88 -1.26 -4.96 113.62 121.38 2ctj n SER 3 Ca -0.10 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 2ctj n SER 3 Cb 0.51 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 2ctj n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ctj n GLY 4 N 1.43 2.59 3.31 0.46 0.00 -1.26 -5.16 105.19 106.57 2ctj n GLY 4 Ca 0.11 -0.13 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 2ctj n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ctj s SER 5 N 0.00 -0.41 0.12 1.61 0.15 -1.26 -5.13 113.70 108.78 2ctj s SER 5 Ca 0.00 1.05 -0.35 0.00 0.70 0.00 0.00 55.95 57.35 2ctj s SER 5 Cb 0.00 1.53 -0.17 0.00 -1.71 0.00 0.00 66.02 65.67 2ctj s SER 5 CO 0.00 -0.23 1.19 -1.54 1.20 0.00 0.00 173.24 173.85 2ctj n SER 6 N 5.40 1.15 0.00 5.45 3.41 -1.26 -4.95 113.62 122.82 2ctj n SER 6 Ca -0.09 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.66 2ctj n SER 6 Cb 0.49 -1.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.29 2ctj n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ctj n GLY 7 N 2.13 0.54 3.20 5.00 0.00 -1.26 -4.75 105.19 110.06 2ctj n GLY 7 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.32 6.05 0.87 1.61 0.15 -1.26 -5.07 113.70 114.73 2ctj s SER 8 Ca 0.00 -3.00 -0.11 0.00 0.70 0.00 0.00 55.95 53.54 2ctj s SER 8 Cb 0.00 -2.02 0.12 0.00 -1.71 0.00 0.00 66.02 62.41 2ctj s SER 8 CO 0.00 -0.40 1.10 0.27 1.20 0.00 0.00 173.24 175.40 2ctj s ILE 9 N -0.29 2.76 0.38 6.45 -4.36 -1.26 -5.07 121.20 119.81 2ctj s ILE 9 Ca 0.20 0.25 0.04 0.00 -0.26 0.00 0.00 60.65 60.88 2ctj s ILE 9 Cb -0.14 -2.62 -0.06 0.00 1.25 0.00 0.00 42.46 40.89 2ctj s ILE 9 CO -0.07 -0.32 0.05 0.00 0.24 0.00 0.00 174.94 174.84 2ctj s GLN 10 N -4.84 1.83 -0.12 0.37 0.00 -1.26 -5.14 119.66 110.50 2ctj s GLN 10 Ca 0.63 -2.05 -0.12 0.00 -0.00 0.00 0.00 55.36 53.83 2ctj s GLN 10 Cb -0.19 -1.12 -0.05 0.00 0.00 0.00 0.00 33.01 31.65 2ctj s GLN 10 CO 0.57 -0.20 0.26 0.15 0.00 0.00 0.00 175.29 176.07 2ctj s LYS 11 N -3.82 3.93 -0.25 9.60 3.01 -1.26 -5.07 119.74 125.88 2ctj s LYS 11 Ca 0.31 0.07 -0.02 0.00 -1.01 0.00 0.00 55.97 55.32 2ctj s LYS 11 Cb 0.08 -3.31 0.14 0.00 -1.01 0.00 0.00 37.83 33.73 2ctj s LYS 11 CO 0.15 0.51 0.41 -0.51 0.51 0.00 0.00 175.35 176.41 2ctj s ASP 12 N -0.33 0.05 -0.09 2.83 1.01 -1.26 -5.15 116.67 113.72 2ctj s ASP 12 Ca 0.17 0.25 -0.19 0.00 0.71 0.00 0.00 52.55 53.49 2ctj s ASP 12 Cb -0.13 1.25 0.04 0.00 1.01 0.00 0.00 42.92 45.09 2ctj s ASP 12 CO 0.05 -0.30 0.46 -1.48 0.21 0.00 0.00 175.17 174.12 2ctj s LEU 13 N 2.58 0.23 -0.20 1.23 2.34 -1.26 -5.17 118.68 118.44 2ctj s LEU 13 Ca 0.13 0.59 -0.33 0.00 0.06 0.00 0.00 54.13 54.58 2ctj s LEU 13 Cb -0.15 1.71 0.15 0.00 -0.56 0.00 0.00 46.19 47.33 2ctj s LEU 13 CO -0.18 -0.37 1.20 0.00 -1.06 0.00 0.00 176.35 175.95 2ctj s ALA 14 N -0.64 -2.06 0.33 1.48 0.00 -1.26 -5.02 121.76 114.59 2ctj s ALA 14 Ca -0.07 1.64 0.07 0.00 0.00 0.00 0.00 51.96 53.60 2ctj s ALA 14 Cb -0.03 -0.45 0.77 0.00 0.00 0.00 0.00 23.12 23.40 2ctj s ALA 14 CO 0.04 -0.49 1.82 -0.97 0.00 0.00 0.00 175.76 176.16 2ctj h ASN 15 N 2.08 0.73 -3.03 0.00 -1.24 -2.02 -3.41 115.58 108.69 2ctj h ASN 15 Ca -0.10 0.06 -0.62 0.00 0.71 0.00 0.00 56.30 56.35 2ctj h ASN 15 Cb 1.17 -0.08 -0.08 0.00 0.73 0.00 0.00 38.32 40.06 2ctj h ASN 15 CO 0.24 0.33 -0.59 -0.63 -1.29 0.00 0.00 177.43 175.49 2ctj s ILE 16 N -5.77 4.56 -0.23 2.57 -1.09 -1.26 -4.50 121.20 115.48 2ctj s ILE 16 Ca -0.11 -0.84 -0.01 0.00 -2.23 0.00 0.00 60.65 57.46 2ctj s ILE 16 Cb 0.23 -3.23 0.07 0.00 -1.58 0.00 0.00 42.46 37.94 2ctj s ILE 16 CO 0.80 0.06 0.02 0.00 -1.23 0.00 0.00 174.94 174.58 2ctj s ALA 17 N -1.50 1.44 -0.44 9.38 0.00 0.15 -4.95 121.76 125.83 2ctj s ALA 17 Ca 0.30 -1.10 -0.25 0.00 0.00 0.00 0.00 51.96 50.90 2ctj s ALA 17 Cb -0.12 -1.35 0.02 0.00 0.00 0.00 0.00 23.12 21.68 2ctj s ALA 17 CO 0.23 -1.27 0.91 -2.00 0.00 0.00 0.00 175.76 173.63 2ctj s GLU 18 N 1.65 3.58 -0.23 0.00 2.12 -1.26 -3.80 118.70 120.75 2ctj s GLU 18 Ca -0.01 0.21 -0.00 0.00 0.36 0.00 0.00 54.97 55.53 2ctj s GLU 18 Cb -0.18 -3.91 0.06 0.00 0.26 0.00 0.00 34.13 30.37 2ctj s GLU 18 CO -0.10 -1.17 -0.02 0.08 -0.54 0.00 0.00 175.26 173.52 2ctj s VAL 19 N 3.67 1.26 0.41 3.70 1.01 -0.95 -4.99 120.40 124.51 2ctj s VAL 19 Ca 0.37 -1.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 2ctj s VAL 19 Cb -0.11 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 2ctj s VAL 19 CO 0.25 -0.19 0.66 -1.83 0.00 0.00 0.00 175.10 174.00 2ctj s GLU 20 N 1.51 3.52 0.02 2.72 1.03 -1.26 -2.69 118.70 123.55 2ctj s GLU 20 Ca -0.03 -0.06 -0.04 0.00 0.03 0.00 0.00 54.97 54.87 2ctj s GLU 20 Cb -0.18 -2.52 -0.01 0.00 -0.80 0.00 0.00 34.13 30.61 2ctj s GLU 20 CO -0.08 -0.02 0.05 0.54 -1.33 0.00 0.00 175.26 174.42 2ctj s VAL 21 N -2.51 0.12 -0.25 1.83 0.11 -0.21 -4.97 120.40 114.52 2ctj s VAL 21 Ca 0.44 -1.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.22 2ctj s VAL 21 Cb -0.10 -0.63 0.00 0.00 -1.53 0.00 0.00 36.38 34.12 2ctj s VAL 21 CO 0.40 -0.55 0.91 -0.55 -3.33 0.00 0.00 175.10 171.98 2ctj s SER 22 N -1.81 6.90 -0.18 3.54 0.15 -1.26 -1.41 113.70 119.63 2ctj s SER 22 Ca -0.10 1.10 -0.16 0.00 0.70 0.00 0.00 55.95 57.49 2ctj s SER 22 Cb -0.05 -2.47 0.05 0.00 -1.71 0.00 0.00 66.02 61.84 2ctj s SER 22 CO -0.02 -0.61 0.49 -0.63 1.20 0.00 0.00 173.24 173.66 2ctj s ILE 23 N 3.04 -0.00 0.70 6.45 1.01 0.82 -4.98 121.20 128.24 2ctj s ILE 23 Ca 0.38 0.01 -0.13 0.00 0.00 0.00 0.00 60.65 60.91 2ctj s ILE 23 Cb -0.15 -0.68 0.02 0.00 0.01 0.00 0.00 42.46 41.66 2ctj s ILE 23 CO 0.08 0.00 1.10 -2.16 0.00 0.00 0.00 174.94 173.97 2ctj s PRO 24 N 0.43 2.59 0.08 2.79 0.04 -1.26 -3.61 135.00 136.07 2ctj s PRO 24 Ca -0.01 1.30 -0.09 0.00 0.04 0.00 0.00 61.00 62.23 2ctj s PRO 24 Cb -0.04 -1.93 -0.22 0.00 0.04 0.00 0.00 34.50 32.35 2ctj s PRO 24 CO -0.02 -1.40 1.18 0.00 0.04 0.00 0.00 177.00 176.81 2ctj h ALA 25 N -0.42 0.14 0.00 8.56 0.00 -1.91 -3.16 119.26 122.47 2ctj h ALA 25 Ca -0.45 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 53.69 2ctj h ALA 25 Cb 1.24 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2ctj h ALA 25 CO 0.53 0.78 0.29 1.57 0.00 0.00 0.00 179.25 182.43 2ctj h LYS 26 N 0.23 0.00 0.00 0.00 2.10 -1.98 0.27 116.57 117.20 2ctj h LYS 26 Ca -0.14 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.21 2ctj h LYS 26 Cb 1.80 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 33.08 2ctj h LYS 26 CO 0.21 0.00 -2.05 1.28 -2.00 0.00 0.00 179.45 176.89 2ctj n LEU 27 N -2.72 0.35 -0.09 7.07 4.77 -1.20 -4.41 117.00 120.78 2ctj n LEU 27 Ca -0.02 0.17 -0.08 0.00 -0.03 0.00 0.00 56.01 56.05 2ctj n LEU 27 Cb 0.33 0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 41.73 2ctj n LEU 27 CO 0.12 0.39 0.67 0.45 -1.33 0.00 0.00 177.39 177.69 2ctj h HIS 28 N 0.00 -0.76 -0.32 -1.77 3.86 -0.42 0.40 115.15 116.14 2ctj h HIS 28 Ca -0.39 0.05 0.09 0.00 -1.16 0.00 0.00 60.37 58.96 2ctj h HIS 28 Cb 2.01 0.39 -0.01 0.00 1.06 0.00 0.00 27.41 30.85 2ctj h HIS 28 CO 0.00 -0.35 0.31 -0.91 0.86 0.00 0.00 177.93 177.84 2ctj h ASN 29 N -0.25 0.00 0.00 2.45 2.35 -1.76 0.62 115.58 118.99 2ctj h ASN 29 Ca 0.16 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 2ctj h ASN 29 Cb 0.50 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.87 2ctj h ASN 29 CO -0.47 0.00 -0.16 0.77 -1.65 0.00 0.00 177.43 175.92 2ctj h SER 30 N 0.00 0.00 -0.22 5.81 4.64 -0.59 -2.99 113.55 120.20 2ctj h SER 30 Ca 0.15 -0.41 0.05 0.00 -0.47 0.00 0.00 61.79 61.11 2ctj h SER 30 Cb 0.78 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.82 2ctj h SER 30 CO -0.00 0.79 -0.08 -0.07 -0.87 0.00 0.00 176.83 176.60 2ctj h LEU 31 N -1.00 -0.26 0.38 5.97 3.38 -0.10 -2.89 115.31 120.79 2ctj h LEU 31 Ca -0.03 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2ctj h LEU 31 Cb 0.52 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 2ctj h LEU 31 CO -0.02 -0.10 -0.35 0.40 0.09 0.00 0.00 178.44 178.46 2ctj h ILE 32 N -0.03 0.27 0.00 1.22 2.04 -1.06 -3.33 117.51 116.62 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 0.20 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 2ctj h ILE 32 CO -0.25 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.51 2ctj n GLY 33 N -1.47 -1.00 0.19 5.37 0.00 -1.09 -2.78 105.19 104.40 2ctj n GLY 33 Ca -0.10 -2.13 -0.13 0.00 0.00 0.00 0.00 46.02 43.66 2ctj n GLY 33 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2ctj h THR 34 N 0.00 0.74 -0.03 2.61 2.02 -1.90 -3.34 112.91 113.01 2ctj h THR 34 Ca 0.00 -0.58 -0.04 0.00 0.77 0.00 0.00 66.41 66.56 2ctj h THR 34 Cb 0.00 1.05 -0.06 0.00 -1.74 0.00 0.00 68.15 67.40 2ctj h THR 34 CO 0.00 0.12 -0.57 1.17 0.37 0.00 0.00 175.52 176.61 2ctj n LYS 35 N -5.12 1.51 -1.68 6.66 3.00 -1.26 -4.94 118.16 116.33 2ctj n LYS 35 Ca -0.09 -3.21 -0.14 0.00 -0.00 0.00 0.00 58.31 54.86 2ctj n LYS 35 Cb 0.25 -1.48 -0.04 0.00 0.00 0.00 0.00 35.03 33.76 2ctj n LYS 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ctj n GLY 36 N -0.94 0.96 0.14 3.14 0.00 -1.22 -4.90 105.19 102.37 2ctj n GLY 36 Ca 0.19 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 2ctj n GLY 36 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2ctj h ARG 37 N 0.00 0.40 -0.84 1.61 0.11 -1.88 0.31 114.38 114.08 2ctj h ARG 37 Ca -0.31 -0.22 0.14 0.00 0.10 0.00 0.00 59.98 59.69 2ctj h ARG 37 Cb 1.03 0.01 -0.06 0.00 1.11 0.00 0.00 29.97 32.06 2ctj h ARG 37 CO 0.42 0.79 0.55 -0.07 0.10 0.00 0.00 179.97 181.76 2ctj h LEU 38 N 0.02 0.58 0.08 0.08 3.38 -1.76 -1.89 115.31 115.81 2ctj h LEU 38 Ca 0.02 0.03 -0.23 0.00 0.09 0.00 0.00 57.88 57.79 2ctj h LEU 38 Cb 0.74 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2ctj h LEU 38 CO 0.04 0.30 -1.19 0.40 0.09 0.00 0.00 178.44 178.09 2ctj h ILE 39 N 0.62 1.11 -1.18 1.22 1.08 -1.52 -3.32 117.51 115.52 2ctj h ILE 39 Ca 0.42 -2.35 0.34 0.00 -0.39 0.00 0.00 64.86 62.88 2ctj h ILE 39 Cb 0.72 2.71 -0.09 0.00 -3.07 0.00 0.00 36.82 37.10 2ctj h ILE 39 CO -0.17 0.61 0.79 0.03 -0.69 0.00 0.00 178.15 178.72 2ctj h ARG 40 N -0.54 0.19 0.17 2.37 3.08 0.01 -1.83 114.38 117.84 2ctj h ARG 40 Ca -0.27 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 2ctj h ARG 40 Cb 1.56 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.57 2ctj h ARG 40 CO -0.00 0.13 -0.08 1.03 -1.07 0.00 0.00 179.97 179.97 2ctj h SER 41 N 0.20 -0.20 -1.00 7.04 0.87 -1.48 -3.03 113.55 115.95 2ctj h SER 41 Ca 0.65 0.01 0.33 0.00 -1.23 0.00 0.00 61.79 61.54 2ctj h SER 41 Cb 2.04 0.05 -0.18 0.00 -0.44 0.00 0.00 62.40 63.87 2ctj h SER 41 CO -0.22 -0.07 0.21 -0.38 -0.53 0.00 0.00 176.83 175.83 2ctj n ILE 42 N -2.99 -0.42 -0.37 2.23 5.41 -0.85 0.18 119.36 122.55 2ctj n ILE 42 Ca -0.03 2.13 0.04 0.00 1.00 0.00 0.00 62.75 65.89 2ctj n ILE 42 Cb 0.09 -3.24 0.19 0.00 -0.71 0.00 0.00 39.64 35.98 2ctj n ILE 42 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 2ctj h MET 43 N 0.00 1.09 0.00 0.38 2.86 -1.40 -1.20 114.93 116.66 2ctj h MET 43 Ca 0.69 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 58.27 2ctj h MET 43 Cb 1.61 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 33.02 2ctj h MET 43 CO -0.88 0.72 -0.16 1.49 1.06 0.00 0.00 176.91 179.15 2ctj h GLU 44 N 1.13 0.00 -0.93 1.72 4.57 0.19 1.03 114.58 122.29 2ctj h GLU 44 Ca 0.45 0.00 0.24 0.00 -1.18 0.00 0.00 59.36 58.88 2ctj h GLU 44 Cb 0.27 0.00 -0.17 0.00 -0.16 0.00 0.00 28.75 28.68 2ctj h GLU 44 CO -0.20 0.00 -0.03 0.39 -1.18 0.00 0.00 179.01 177.99 2ctj n GLU 45 N -4.21 -0.08 0.43 1.92 -0.58 0.12 -0.40 120.64 117.83 2ctj n GLU 45 Ca -0.02 1.41 -0.18 0.00 -0.42 0.00 0.00 57.16 57.94 2ctj n GLU 45 Cb 0.08 -2.21 -0.09 0.00 -0.57 0.00 0.00 31.44 28.65 2ctj n GLU 45 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ctj n GLY 47 N -1.37 0.00 0.00 0.00 0.00 0.46 -4.87 105.19 99.41 2ctj n GLY 47 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.01 0.49 3.91 -0.02 0.00 0.35 -4.88 105.19 105.02 2ctj n GLY 48 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.22 4.94 -0.24 1.61 -7.23 -0.59 -4.93 120.40 113.74 2ctj s VAL 49 Ca 0.00 0.12 -0.02 0.00 -1.81 0.00 0.00 61.98 60.27 2ctj s VAL 49 Cb 0.00 -3.84 0.02 0.00 0.56 0.00 0.00 36.38 33.13 2ctj s VAL 49 CO 0.00 -0.72 -0.07 -1.00 -0.31 0.00 0.00 175.10 173.01 2ctj s HIS 50 N -2.57 3.05 -0.06 2.82 0.09 0.40 -4.69 115.29 114.33 2ctj s HIS 50 Ca 0.46 -1.53 -0.14 0.00 -0.00 0.00 0.00 55.06 53.85 2ctj s HIS 50 Cb -0.10 -2.05 -0.05 0.00 -0.00 0.00 0.00 32.58 30.37 2ctj s HIS 50 CO 0.40 -0.72 0.36 0.42 -0.00 0.00 0.00 174.74 175.20 2ctj s ILE 51 N 1.33 5.16 -0.24 0.60 1.01 -1.26 0.00 121.20 127.80 2ctj s ILE 51 Ca 0.01 0.71 -0.04 0.00 0.00 0.00 0.00 60.65 61.33 2ctj s ILE 51 Cb -0.16 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.64 2ctj s ILE 51 CO -0.05 0.52 -0.03 -1.00 0.00 0.00 0.00 174.94 174.38 2ctj s HIS 52 N -0.55 3.01 -0.11 3.97 3.76 0.14 -4.99 115.29 120.52 2ctj s HIS 52 Ca 0.21 -1.11 -0.00 0.00 -0.15 0.00 0.00 55.06 54.01 2ctj s HIS 52 Cb -0.15 -2.12 -0.02 0.00 1.11 0.00 0.00 32.58 31.40 2ctj s HIS 52 CO 0.10 -0.60 -0.09 -0.06 -0.85 0.00 0.00 174.74 173.23 2ctj s PHE 53 N 1.44 2.89 0.85 1.40 0.08 -1.26 -2.38 117.98 120.99 2ctj s PHE 53 Ca 0.04 -0.30 -0.11 0.00 0.12 0.00 0.00 56.93 56.68 2ctj s PHE 53 Cb -0.15 -1.81 0.10 0.00 -0.57 0.00 0.00 43.02 40.59 2ctj s PHE 53 CO -0.03 0.04 1.09 -1.25 -0.10 0.00 0.00 175.22 174.97 2ctj s PRO 54 N -0.11 1.65 0.20 0.24 0.04 -1.26 -5.00 135.00 130.75 2ctj s PRO 54 Ca 0.00 0.96 -0.30 0.00 0.04 0.00 0.00 61.00 61.71 2ctj s PRO 54 Cb -0.13 -1.84 -0.08 0.00 0.04 0.00 0.00 34.50 32.48 2ctj s PRO 54 CO 0.03 -2.01 1.00 0.08 0.04 0.00 0.00 177.00 176.14 2ctj s VAL 55 N -2.92 4.08 0.14 -0.36 1.01 -1.26 -4.94 120.40 116.14 2ctj s VAL 55 Ca 0.63 1.91 -0.24 0.00 0.00 0.00 0.00 61.98 64.27 2ctj s VAL 55 Cb -0.18 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 31.97 2ctj s VAL 55 CO 0.57 0.39 1.63 -0.33 0.00 0.00 0.00 175.10 177.35 2ctj h GLU 56 N 4.71 -0.32 -1.01 2.72 3.07 -1.94 -1.23 114.58 120.57 2ctj h GLU 56 Ca -0.44 0.02 0.24 0.00 -0.50 0.00 0.00 59.36 58.67 2ctj h GLU 56 Cb 1.21 0.07 -0.11 0.00 -0.84 0.00 0.00 28.75 29.08 2ctj h GLU 56 CO 0.70 -0.22 0.62 0.78 -1.40 0.00 0.00 179.01 179.49 2ctj h GLY 57 N -0.34 1.64 0.97 -3.84 0.00 -2.02 -1.84 103.07 97.65 2ctj h GLY 57 Ca 0.10 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 2ctj h GLY 57 CO -0.32 -0.16 -0.35 0.23 0.00 0.00 0.00 176.54 175.93 2ctj h SER 58 N 0.56 -0.85 -0.13 0.19 0.87 -1.62 -3.48 113.55 109.10 2ctj h SER 58 Ca 0.61 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 61.20 2ctj h SER 58 Cb 1.23 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.42 2ctj h SER 58 CO -0.39 -0.59 0.00 0.61 -0.53 0.00 0.00 176.83 175.93 2ctj n GLY 59 N -1.51 0.97 3.42 5.77 0.00 -0.69 -5.08 105.19 108.06 2ctj n GLY 59 Ca -0.14 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.07 4.97 -0.48 1.61 0.15 -1.26 -4.98 113.70 111.63 2ctj s SER 60 Ca 0.00 -0.26 -0.01 0.00 0.70 0.00 0.00 55.95 56.38 2ctj s SER 60 Cb 0.00 -1.89 0.33 0.00 -1.71 0.00 0.00 66.02 62.75 2ctj s SER 60 CO 0.00 -0.04 2.02 -0.90 1.20 0.00 0.00 173.24 175.53 2ctj n ASP 61 N 4.90 7.02 -4.29 5.45 5.68 -1.26 -4.62 116.55 129.42 2ctj n ASP 61 Ca -0.16 -3.41 -0.32 0.00 -0.50 0.00 0.00 54.79 50.40 2ctj n ASP 61 Cb 0.51 -1.02 -0.16 0.00 -1.14 0.00 0.00 41.12 39.32 2ctj n ASP 61 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2ctj s THR 62 N -3.49 2.46 -0.28 2.12 2.01 -1.24 -0.13 115.64 117.10 2ctj s THR 62 Ca 0.47 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.60 2ctj s THR 62 Cb 0.37 -1.97 0.06 0.00 0.01 0.00 0.00 72.50 70.97 2ctj s THR 62 CO -0.01 0.55 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.72 2ctj s VAL 63 N 0.20 2.35 -0.28 3.82 1.01 -0.50 -4.22 120.40 122.78 2ctj s VAL 63 Ca -0.12 -1.67 -0.15 0.00 0.00 0.00 0.00 61.98 60.04 2ctj s VAL 63 Cb -0.16 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 2ctj s VAL 63 CO 0.07 -0.11 0.37 -0.69 0.00 0.00 0.00 175.10 174.74 2ctj s VAL 64 N 1.11 5.17 -0.07 2.92 1.01 -1.00 -1.04 120.40 128.50 2ctj s VAL 64 Ca -0.06 0.53 -0.01 0.00 0.00 0.00 0.00 61.98 62.44 2ctj s VAL 64 Cb -0.20 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 2ctj s VAL 64 CO -0.05 0.14 -0.01 -0.63 0.00 0.00 0.00 175.10 174.55 2ctj s ILE 65 N 2.07 4.20 0.10 2.22 1.01 -1.10 0.23 121.20 129.93 2ctj s ILE 65 Ca 0.15 -0.32 0.10 0.00 0.00 0.00 0.00 60.65 60.57 2ctj s ILE 65 Cb -0.16 -2.77 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 2ctj s ILE 65 CO 0.10 0.58 -0.26 -0.13 0.00 0.00 0.00 174.94 175.23 2ctj s ARG 66 N -0.95 1.47 0.00 2.79 0.52 0.10 -2.23 118.95 120.65 2ctj s ARG 66 Ca 0.14 -1.24 0.00 0.00 -0.52 0.00 0.00 55.73 54.10 2ctj s ARG 66 Cb -0.11 -1.84 0.00 0.00 0.52 0.00 0.00 34.95 33.52 2ctj s ARG 66 CO 0.03 0.45 0.00 0.41 0.02 0.00 0.00 175.30 176.21 2ctj n GLY 67 N 1.20 0.99 3.65 -3.53 0.00 -1.25 -0.45 105.19 105.80 2ctj n GLY 67 Ca -0.18 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.49 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 -1.87 4.06 0.56 1.61 0.04 -1.26 -0.68 135.00 137.47 2ctj s PRO 68 Ca 0.00 1.89 0.48 0.00 0.04 0.00 0.00 61.00 63.41 2ctj s PRO 68 Cb 0.00 -3.95 1.67 0.00 0.04 0.00 0.00 34.50 32.25 2ctj s PRO 68 CO 0.00 -0.96 1.56 0.66 0.04 0.00 0.00 177.00 178.30 2ctj h SER 69 N 9.63 0.00 -0.46 6.66 4.64 -1.86 1.15 113.55 133.32 2ctj h SER 69 Ca -0.34 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.96 2ctj h SER 69 Cb 1.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 2ctj h SER 69 CO 0.97 0.00 0.24 -1.28 -0.87 0.00 0.00 176.83 175.89 2ctj h SER 70 N 0.00 0.58 0.87 4.97 0.87 -1.98 -1.15 113.55 117.71 2ctj h SER 70 Ca 0.88 -0.11 -0.11 0.00 -1.23 0.00 0.00 61.79 61.22 2ctj h SER 70 Cb 3.64 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 65.43 2ctj h SER 70 CO -0.01 0.53 -1.20 0.44 -0.53 0.00 0.00 176.83 176.06 2ctj h ASP 71 N 0.60 0.00 -0.14 6.23 3.32 0.86 -3.37 116.42 123.91 2ctj h ASP 71 Ca 0.16 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 2ctj h ASP 71 Cb 0.09 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 2ctj h ASP 71 CO -0.02 0.39 -0.02 0.58 -1.72 0.00 0.00 179.24 178.45 2ctj h VAL 72 N 0.00 1.27 -0.61 -1.35 2.07 -0.49 -0.04 116.25 117.10 2ctj h VAL 72 Ca -0.10 -0.92 0.11 0.00 0.82 0.00 0.00 66.70 66.62 2ctj h VAL 72 Cb 1.39 1.59 -0.09 0.00 -1.52 0.00 0.00 31.29 32.66 2ctj h VAL 72 CO 0.03 0.27 0.15 1.05 0.02 0.00 0.00 177.57 179.09 2ctj h GLU 73 N -0.02 0.27 -0.25 1.57 4.11 -1.37 0.15 114.58 119.05 2ctj h GLU 73 Ca 0.04 -0.02 -0.19 0.00 0.07 0.00 0.00 59.36 59.26 2ctj h GLU 73 Cb 0.42 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2ctj h GLU 73 CO 0.01 0.18 -0.59 0.87 0.07 0.00 0.00 179.01 179.55 2ctj h LYS 74 N 0.28 0.82 0.00 1.06 1.57 -1.70 -2.81 116.57 115.79 2ctj h LYS 74 Ca 0.32 -0.55 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 2ctj h LYS 74 Cb 0.47 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 2ctj h LYS 74 CO -0.40 1.18 -0.09 0.00 -0.57 0.00 0.00 179.45 179.57 2ctj h ALA 75 N 0.70 1.48 0.01 3.86 0.00 0.09 -1.39 119.26 124.01 2ctj h ALA 75 Ca 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2ctj h ALA 75 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2ctj h ALA 75 CO 0.13 0.11 -0.10 -0.22 0.00 0.00 0.00 179.25 179.17 2ctj h LYS 76 N 0.00 0.06 -0.23 0.00 3.64 -0.61 -2.84 116.57 116.59 2ctj h LYS 76 Ca -0.00 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 2ctj h LYS 76 Cb 0.22 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 2ctj h LYS 76 CO 0.01 0.90 0.04 1.57 -2.27 0.00 0.00 179.45 179.70 2ctj h LYS 77 N -0.75 0.33 -0.11 1.90 2.10 -1.26 -1.26 116.57 117.53 2ctj h LYS 77 Ca -0.01 -0.05 -0.14 0.00 -2.00 0.00 0.00 60.65 58.45 2ctj h LYS 77 Cb 0.94 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.20 2ctj h LYS 77 CO 0.02 0.33 -0.54 1.96 -2.00 0.00 0.00 179.45 179.22 2ctj h GLN 78 N 0.33 0.33 -0.01 0.07 4.20 -1.33 -2.62 115.11 116.09 2ctj h GLN 78 Ca 0.08 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 2ctj h GLN 78 Cb 0.16 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2ctj h GLN 78 CO -0.00 0.79 -0.05 1.25 -0.67 0.00 0.00 178.83 180.15 2ctj h LEU 79 N 0.25 0.06 -0.21 1.46 5.85 -1.11 -2.75 115.31 118.86 2ctj h LEU 79 Ca 0.00 -0.67 0.05 0.00 0.84 0.00 0.00 57.88 58.10 2ctj h LEU 79 Cb 1.03 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 2ctj h LEU 79 CO 0.09 0.72 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.73 2ctj h LEU 80 N -0.60 -0.35 0.51 2.25 4.07 -1.30 0.13 115.31 120.02 2ctj h LEU 80 Ca -0.00 0.09 -0.01 0.00 0.08 0.00 0.00 57.88 58.03 2ctj h LEU 80 Cb 0.72 0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.63 2ctj h LEU 80 CO 0.01 -0.14 -0.48 -0.74 -1.08 0.00 0.00 178.44 176.01 2ctj h HIS 81 N -0.08 -1.32 0.22 1.13 2.76 -1.56 -2.53 115.15 113.77 2ctj h HIS 81 Ca 0.12 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 2ctj h HIS 81 Cb 0.25 0.51 -0.03 0.00 1.55 0.00 0.00 27.41 29.69 2ctj h HIS 81 CO -0.27 -0.65 -0.44 -0.07 -1.30 0.00 0.00 177.93 175.20 2ctj h LEU 82 N -0.99 -1.28 -1.20 0.26 3.38 -1.29 0.20 115.31 114.40 2ctj h LEU 82 Ca -0.06 0.12 0.43 0.00 0.09 0.00 0.00 57.88 58.46 2ctj h LEU 82 Cb 0.85 0.45 -0.13 0.00 0.09 0.00 0.00 40.66 41.93 2ctj h LEU 82 CO -0.04 -0.50 0.76 0.00 0.09 0.00 0.00 178.44 178.74 2ctj n ALA 83 N -2.80 1.19 -0.05 1.53 0.00 0.43 0.51 120.51 121.31 2ctj n ALA 83 Ca -0.08 0.81 -0.17 0.00 0.00 0.00 0.00 53.44 54.00 2ctj n ALA 83 Cb 0.36 -0.95 -0.13 0.00 0.00 0.00 0.00 19.45 18.73 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 0.06 -0.21 0.00 5.08 -0.78 -3.35 114.58 115.38 2ctj h GLU 84 Ca 0.79 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 59.08 2ctj h GLU 84 Cb 2.50 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 31.73 2ctj h GLU 84 CO -0.46 1.05 -0.39 0.93 -1.00 0.00 0.00 179.01 179.14 2ctj h GLU 85 N -0.87 -0.32 -0.84 2.33 5.08 0.32 -2.22 114.58 118.06 2ctj h GLU 85 Ca -0.09 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.37 2ctj h GLU 85 Cb 1.19 0.07 -0.11 0.00 0.50 0.00 0.00 28.75 30.40 2ctj h GLU 85 CO -0.01 -0.21 -0.46 1.63 -1.00 0.00 0.00 179.01 178.96 2ctj n LYS 86 N -4.56 -0.34 -2.48 2.33 4.01 -0.52 -4.31 118.16 112.29 2ctj n LYS 86 Ca -0.03 1.27 -0.38 0.00 -0.51 0.00 0.00 58.31 58.66 2ctj n LYS 86 Cb 0.25 -1.87 -0.04 0.00 -0.51 0.00 0.00 35.03 32.86 2ctj n LYS 86 CO 0.00 0.00 0.00 1.14 -1.11 0.00 0.00 177.40 177.43 2ctj s GLN 87 N -5.49 4.23 0.32 1.97 -2.07 -0.83 -5.00 119.66 112.78 2ctj s GLN 87 Ca -0.10 1.64 -0.29 0.00 -1.82 0.00 0.00 55.36 54.79 2ctj s GLN 87 Cb 0.11 -2.69 -0.10 0.00 -1.09 0.00 0.00 33.01 29.23 2ctj s GLN 87 CO 0.54 -0.11 1.22 0.99 -1.32 0.00 0.00 175.29 176.61 2ctj s THR 88 N -1.51 3.02 -0.12 3.63 2.01 -1.26 -4.87 115.64 116.53 2ctj s THR 88 Ca 0.55 1.01 -0.30 0.00 0.31 0.00 0.00 61.69 63.26 2ctj s THR 88 Cb -0.26 -3.64 0.12 0.00 0.01 0.00 0.00 72.50 68.73 2ctj s THR 88 CO 0.32 0.23 0.94 -0.75 -0.69 0.00 0.00 174.62 174.67 2ctj s LYS 89 N -1.71 0.69 0.29 4.92 2.36 -1.26 -5.10 119.74 119.92 2ctj s LYS 89 Ca 0.48 0.10 -0.26 0.00 -2.55 0.00 0.00 55.97 53.74 2ctj s LYS 89 Cb -0.36 0.32 -0.16 0.00 -1.05 0.00 0.00 37.83 36.58 2ctj s LYS 89 CO 0.48 -0.23 0.48 0.43 1.55 0.00 0.00 175.35 178.05 2ctj n SER 90 N 0.62 -1.30 -3.53 1.43 7.64 -1.26 -4.95 113.62 112.28 2ctj n SER 90 Ca -0.11 1.03 -0.28 0.00 1.01 0.00 0.00 58.87 60.52 2ctj n SER 90 Cb 0.58 -0.99 -0.11 0.00 -1.01 0.00 0.00 64.21 62.68 2ctj n SER 90 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2ctj s GLY 91 N -0.94 1.45 0.00 0.23 0.00 -1.26 -4.94 107.32 101.86 2ctj s GLY 91 Ca 0.62 -2.56 0.14 0.00 0.00 0.00 0.00 44.72 42.92 2ctj s GLY 91 CO 0.58 1.88 1.42 -1.55 0.00 0.00 0.00 173.10 175.43 2ctj n PRO 92 N 3.05 0.13 -1.46 2.90 -0.04 -1.26 -4.86 135.00 133.46 2ctj n PRO 92 Ca 0.22 0.19 -0.47 0.00 -0.04 0.00 0.00 63.50 63.39 2ctj n PRO 92 Cb 0.42 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.35 2ctj n PRO 92 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2ctj n SER 93 N -1.36 -0.38 -3.83 3.54 7.64 -1.26 -4.97 113.62 113.01 2ctj n SER 93 Ca 0.06 1.15 -0.08 0.00 1.01 0.00 0.00 58.87 61.01 2ctj n SER 93 Cb 0.13 -1.06 -0.02 0.00 -1.01 0.00 0.00 64.21 62.25 2ctj n SER 93 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2ctj s SER 94 N -0.80 -0.19 0.00 6.43 1.04 -1.26 -5.30 113.70 113.62 2ctj s SER 94 Ca 0.64 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 56.34 2ctj s SER 94 Cb -0.87 0.70 0.00 0.00 0.10 0.00 0.00 66.02 65.95 2ctj s SER 94 CO 0.57 -1.32 0.00 0.61 0.98 0.00 0.00 173.24 174.08