#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 0.13 0.65 1.61 1.04 -1.26 -5.16 113.70 110.71 2ctj s SER 2 Ca 0.00 0.62 -0.11 0.00 0.48 0.00 0.00 55.95 56.94 2ctj s SER 2 Cb 0.00 1.06 -0.01 0.00 0.10 0.00 0.00 66.02 67.17 2ctj s SER 2 CO 0.00 -0.26 1.04 -0.55 0.98 0.00 0.00 173.24 174.45 2ctj s SER 3 N 2.53 5.87 0.00 7.02 0.15 -1.26 -4.84 113.70 123.17 2ctj s SER 3 Ca 0.03 1.24 0.00 0.00 0.70 0.00 0.00 55.95 57.93 2ctj s SER 3 Cb -0.13 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 2ctj s SER 3 CO -0.12 -1.06 0.00 0.61 1.20 0.00 0.00 173.24 173.86 2ctj n GLY 4 N -2.83 0.78 4.19 9.45 0.00 -1.26 -5.01 105.19 110.51 2ctj n GLY 4 Ca 0.06 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 2ctj n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ctj n SER 5 N 0.00 -2.79 -4.43 1.61 2.88 -1.26 -4.86 113.62 104.77 2ctj n SER 5 Ca 0.00 -1.02 -0.44 0.00 -1.33 0.00 0.00 58.87 56.08 2ctj n SER 5 Cb 0.00 -2.78 -0.02 0.00 -0.75 0.00 0.00 64.21 60.66 2ctj n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2ctj s SER 6 N -3.47 6.66 0.18 -3.46 0.15 -1.26 -4.94 113.70 107.56 2ctj s SER 6 Ca 0.62 -2.17 0.00 0.00 0.70 0.00 0.00 55.95 55.10 2ctj s SER 6 Cb -0.34 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 2ctj s SER 6 CO 0.92 -0.97 0.00 0.61 1.20 0.00 0.00 173.24 175.01 2ctj n GLY 7 N 5.20 -1.77 3.35 9.45 0.00 -1.26 -4.98 105.19 115.18 2ctj n GLY 7 Ca 0.22 -1.34 -0.08 0.00 0.00 0.00 0.00 46.02 44.82 2ctj n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ctj s SER 8 N -4.94 -0.51 0.77 1.61 1.04 -1.26 -5.15 113.70 105.26 2ctj s SER 8 Ca 0.00 1.07 -0.14 0.00 0.48 0.00 0.00 55.95 57.36 2ctj s SER 8 Cb 0.00 1.23 0.05 0.00 0.10 0.00 0.00 66.02 67.40 2ctj s SER 8 CO 0.00 -0.22 1.12 2.30 0.98 0.00 0.00 173.24 177.42 2ctj n ILE 9 N 4.86 2.48 -1.90 -1.02 -6.64 -1.26 -4.90 119.36 110.98 2ctj n ILE 9 Ca -0.16 -0.28 -0.42 0.00 -1.77 0.00 0.00 62.75 60.12 2ctj n ILE 9 Cb 0.53 -1.18 -0.03 0.00 -1.44 0.00 0.00 39.64 37.52 2ctj n ILE 9 CO 0.00 0.00 0.00 -1.10 -1.77 0.00 0.00 176.55 173.68 2ctj s GLN 10 N -3.80 4.20 -0.45 6.28 -0.21 -1.26 -4.97 119.66 119.45 2ctj s GLN 10 Ca 0.74 2.42 -0.17 0.00 0.02 0.00 0.00 55.36 58.36 2ctj s GLN 10 Cb -0.31 -3.12 0.04 0.00 1.00 0.00 0.00 33.01 30.62 2ctj s GLN 10 CO 0.50 -0.60 0.47 0.21 -2.12 0.00 0.00 175.29 173.75 2ctj s LYS 11 N 0.70 3.07 -0.25 2.91 2.36 -1.26 -5.02 119.74 122.25 2ctj s LYS 11 Ca 0.68 -0.94 -0.02 0.00 -2.55 0.00 0.00 55.97 53.15 2ctj s LYS 11 Cb -0.45 -4.04 0.08 0.00 -1.05 0.00 0.00 37.83 32.37 2ctj s LYS 11 CO 0.35 -0.97 0.07 -0.51 1.55 0.00 0.00 175.35 175.83 2ctj s ASP 12 N 2.19 3.42 -0.18 1.43 1.11 -1.26 -4.97 116.67 118.40 2ctj s ASP 12 Ca 0.11 -1.18 0.13 0.00 0.18 0.00 0.00 52.55 51.79 2ctj s ASP 12 Cb -0.19 -0.69 0.39 0.00 1.07 0.00 0.00 42.92 43.50 2ctj s ASP 12 CO 0.11 -0.36 1.20 0.18 1.18 0.00 0.00 175.17 177.49 2ctj n LEU 13 N 4.98 2.55 -3.83 1.23 4.77 -1.26 -5.04 117.00 120.40 2ctj n LEU 13 Ca -0.06 -3.64 -0.07 0.00 -0.03 0.00 0.00 56.01 52.21 2ctj n LEU 13 Cb 0.45 -0.49 -0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2ctj n LEU 13 CO 0.12 1.21 0.53 0.00 -1.33 0.00 0.00 177.39 177.92 2ctj s ALA 14 N -3.04 -1.12 -0.07 -1.18 0.00 -1.26 -5.09 121.76 110.00 2ctj s ALA 14 Ca 0.36 -0.42 -0.04 0.00 0.00 0.00 0.00 51.96 51.86 2ctj s ALA 14 Cb 0.35 0.76 -0.03 0.00 0.00 0.00 0.00 23.12 24.20 2ctj s ALA 14 CO -0.05 -1.02 -0.10 0.27 0.00 0.00 0.00 175.76 174.85 2ctj n ASN 15 N -0.83 0.63 -4.38 0.00 0.23 -1.26 -5.04 115.26 104.61 2ctj n ASN 15 Ca -0.06 0.11 -0.43 0.00 -0.53 0.00 0.00 54.58 53.67 2ctj n ASN 15 Cb 0.59 -0.25 -0.01 0.00 -2.08 0.00 0.00 39.78 38.03 2ctj n ASN 15 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 2ctj n ILE 16 N -3.39 1.33 -3.89 1.53 2.08 -1.26 -4.83 119.36 110.92 2ctj n ILE 16 Ca -0.15 -0.50 -0.35 0.00 0.56 0.00 0.00 62.75 62.31 2ctj n ILE 16 Cb 0.58 -0.20 -0.14 0.00 -0.75 0.00 0.00 39.64 39.13 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 -1.45 2.84 -0.39 -1.39 0.00 0.86 -4.94 121.76 117.29 2ctj s ALA 17 Ca 0.61 -1.79 -0.23 0.00 0.00 0.00 0.00 51.96 50.55 2ctj s ALA 17 Cb -0.69 -1.98 0.01 0.00 0.00 0.00 0.00 23.12 20.46 2ctj s ALA 17 CO 0.60 -1.30 0.79 -2.00 0.00 0.00 0.00 175.76 173.84 2ctj s GLU 18 N 1.26 3.64 -0.15 0.00 -6.30 -1.26 -3.62 118.70 112.25 2ctj s GLU 18 Ca -0.04 0.17 -0.03 0.00 -2.50 0.00 0.00 54.97 52.57 2ctj s GLU 18 Cb -0.20 -3.85 0.05 0.00 0.00 0.00 0.00 34.13 30.13 2ctj s GLU 18 CO -0.01 -0.94 0.03 0.08 0.02 0.00 0.00 175.26 174.44 2ctj s VAL 19 N 3.17 0.42 0.21 3.70 1.01 -0.97 -5.00 120.40 122.94 2ctj s VAL 19 Ca 0.31 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.02 2ctj s VAL 19 Cb -0.13 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 2ctj s VAL 19 CO 0.19 -0.07 0.32 -1.83 0.00 0.00 0.00 175.10 173.70 2ctj s GLU 20 N 1.92 3.39 0.11 2.72 -1.05 -1.26 -2.08 118.70 122.45 2ctj s GLU 20 Ca 0.01 -0.73 0.03 0.00 -0.15 0.00 0.00 54.97 54.13 2ctj s GLU 20 Cb -0.15 -2.89 -0.04 0.00 -0.44 0.00 0.00 34.13 30.61 2ctj s GLU 20 CO -0.07 0.46 -0.09 0.54 0.95 0.00 0.00 175.26 177.05 2ctj s VAL 21 N -1.90 0.90 -0.27 1.83 0.11 -0.05 -4.95 120.40 116.06 2ctj s VAL 21 Ca 0.34 -1.82 -0.22 0.00 -2.93 0.00 0.00 61.98 57.35 2ctj s VAL 21 Cb -0.10 -1.55 -0.01 0.00 -1.53 0.00 0.00 36.38 33.19 2ctj s VAL 21 CO 0.28 -0.70 0.72 -0.55 -3.33 0.00 0.00 175.10 171.52 2ctj s SER 22 N -2.78 6.65 -0.15 3.54 0.15 -1.26 -1.18 113.70 118.66 2ctj s SER 22 Ca 0.10 0.73 -0.13 0.00 0.70 0.00 0.00 55.95 57.34 2ctj s SER 22 Cb 0.01 -2.38 0.04 0.00 -1.71 0.00 0.00 66.02 61.98 2ctj s SER 22 CO -0.01 -0.49 0.40 -0.63 1.20 0.00 0.00 173.24 173.70 2ctj s ILE 23 N 2.73 -0.00 0.35 6.45 1.01 -0.69 -4.98 121.20 126.06 2ctj s ILE 23 Ca 0.30 0.02 -0.28 0.00 0.00 0.00 0.00 60.65 60.69 2ctj s ILE 23 Cb -0.15 -0.56 -0.09 0.00 0.01 0.00 0.00 42.46 41.67 2ctj s ILE 23 CO 0.10 0.01 1.21 -2.16 0.00 0.00 0.00 174.94 174.10 2ctj s PRO 24 N 0.40 4.30 0.18 2.79 0.04 -1.26 -4.07 135.00 137.38 2ctj s PRO 24 Ca -0.02 1.99 -0.13 0.00 0.04 0.00 0.00 61.00 62.88 2ctj s PRO 24 Cb -0.04 -2.95 0.09 0.00 0.04 0.00 0.00 34.50 31.65 2ctj s PRO 24 CO -0.02 -0.15 1.84 0.00 0.04 0.00 0.00 177.00 178.71 2ctj h ALA 25 N 3.20 0.72 -1.36 8.56 0.00 -1.88 -2.21 119.26 126.28 2ctj h ALA 25 Ca -0.48 -0.03 0.45 0.00 0.00 0.00 0.00 54.91 54.85 2ctj h ALA 25 Cb 1.23 -0.21 -0.13 0.00 0.00 0.00 0.00 17.79 18.67 2ctj h ALA 25 CO 0.65 0.13 0.88 1.57 0.00 0.00 0.00 179.25 182.48 2ctj h LYS 26 N 0.75 0.05 0.18 0.00 2.10 -2.00 0.65 116.57 118.29 2ctj h LYS 26 Ca 0.21 -0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.51 2ctj h LYS 26 Cb -0.06 -0.01 0.01 0.00 -0.90 0.00 0.00 32.23 31.27 2ctj h LYS 26 CO -0.06 0.03 -1.75 -0.07 -2.00 0.00 0.00 179.45 175.61 2ctj h LEU 27 N 0.05 0.59 -0.56 7.07 3.38 -1.80 -3.38 115.31 120.66 2ctj h LEU 27 Ca 0.85 -0.89 0.05 0.00 0.09 0.00 0.00 57.88 57.97 2ctj h LEU 27 Cb 2.70 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 43.20 2ctj h LEU 27 CO -0.43 1.76 -0.33 1.41 0.09 0.00 0.00 178.44 180.94 2ctj n HIS 28 N -3.57 -0.25 -0.20 1.13 8.25 0.22 0.62 115.22 121.43 2ctj n HIS 28 Ca -0.24 0.70 -0.00 0.00 -0.26 0.00 0.00 57.72 57.91 2ctj n HIS 28 Cb 1.07 -0.51 0.08 0.00 1.12 0.00 0.00 29.99 31.75 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 -0.39 -0.10 0.41 2.35 -1.72 0.18 115.58 116.31 2ctj h ASN 29 Ca 0.09 0.16 0.03 0.00 -0.55 0.00 0.00 56.30 56.03 2ctj h ASN 29 Cb 0.23 0.31 -0.03 0.00 0.05 0.00 0.00 38.32 38.87 2ctj h ASN 29 CO -0.53 -0.15 -0.10 0.28 -1.65 0.00 0.00 177.43 175.28 2ctj h SER 30 N 0.06 -0.31 0.04 5.81 0.02 0.01 -0.54 113.55 118.64 2ctj h SER 30 Ca 0.30 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.32 2ctj h SER 30 Cb 0.47 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 2ctj h SER 30 CO -0.55 -0.14 -0.06 -0.07 -1.14 0.00 0.00 176.83 174.87 2ctj h LEU 31 N -0.13 -0.16 -0.23 5.07 3.38 0.47 -2.96 115.31 120.75 2ctj h LEU 31 Ca 0.07 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.12 2ctj h LEU 31 Cb 0.23 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 2ctj h LEU 31 CO -0.18 -0.10 -0.21 0.40 0.09 0.00 0.00 178.44 178.45 2ctj h ILE 32 N -0.13 0.45 0.00 1.22 2.04 -0.43 -3.32 117.51 117.34 2ctj h ILE 32 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 2ctj h ILE 32 Cb 0.14 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 2ctj h ILE 32 CO -0.03 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.73 2ctj n GLY 33 N -1.36 0.70 0.25 5.37 0.00 -0.24 -2.77 105.19 107.15 2ctj n GLY 33 Ca -0.01 -2.13 -0.09 0.00 0.00 0.00 0.00 46.02 43.79 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 1.28 -0.66 2.61 1.03 -1.89 -3.28 112.91 112.01 2ctj h THR 34 Ca 0.00 -1.48 -0.46 0.00 -0.01 0.00 0.00 66.41 64.46 2ctj h THR 34 Cb 0.00 1.37 -0.42 0.00 -1.07 0.00 0.00 68.15 68.03 2ctj h THR 34 CO 0.00 0.48 -0.91 0.29 -0.01 0.00 0.00 175.52 175.38 2ctj n LYS 35 N -4.07 3.07 -4.36 0.00 5.02 -1.26 -4.96 118.16 111.61 2ctj n LYS 35 Ca -0.01 -3.98 -0.39 0.00 -2.02 0.00 0.00 58.31 51.91 2ctj n LYS 35 Cb 0.49 -2.09 -0.05 0.00 -0.02 0.00 0.00 35.03 33.36 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 -0.68 -0.43 0.09 0.72 0.00 -1.22 -4.83 105.19 98.84 2ctj n GLY 36 Ca 0.33 0.10 -0.14 0.00 0.00 0.00 0.00 46.02 46.32 2ctj n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ctj n ARG 37 N -4.19 0.51 -0.38 1.61 1.74 -1.11 -2.05 116.66 112.78 2ctj n ARG 37 Ca 0.10 0.54 0.38 0.00 -0.77 0.00 0.00 57.85 58.10 2ctj n ARG 37 Cb 0.47 -1.71 0.74 0.00 -1.02 0.00 0.00 32.46 30.94 2ctj n ARG 37 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2ctj h LEU 38 N -1.00 0.00 0.04 0.55 -0.00 -1.77 0.20 115.31 113.34 2ctj h LEU 38 Ca -0.19 0.00 -0.38 0.00 -0.00 0.00 0.00 57.88 57.32 2ctj h LEU 38 Cb 0.93 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.54 2ctj h LEU 38 CO -0.11 0.00 -2.19 -0.38 -0.00 0.00 0.00 178.44 175.75 2ctj n ILE 39 N -3.96 1.60 -0.23 1.22 2.08 -1.22 -4.02 119.36 114.81 2ctj n ILE 39 Ca 0.29 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 63.10 2ctj n ILE 39 Cb 1.44 -1.67 0.12 0.00 -0.75 0.00 0.00 39.64 38.78 2ctj n ILE 39 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 2ctj h ARG 40 N -0.26 0.58 0.67 0.38 2.47 -0.31 -2.14 114.38 115.76 2ctj h ARG 40 Ca -0.52 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.13 2ctj h ARG 40 Cb 1.83 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 30.01 2ctj h ARG 40 CO -0.10 0.38 -0.39 0.77 0.56 0.00 0.00 179.97 181.19 2ctj h SER 41 N 0.60 -0.98 -0.82 7.04 0.02 -0.92 -2.77 113.55 115.72 2ctj h SER 41 Ca 0.33 0.05 0.20 0.00 -0.84 0.00 0.00 61.79 61.53 2ctj h SER 41 Cb 0.31 0.28 -0.13 0.00 0.14 0.00 0.00 62.40 63.00 2ctj h SER 41 CO -0.24 -0.62 0.17 0.40 -1.14 0.00 0.00 176.83 175.39 2ctj h ILE 42 N -0.99 0.37 -0.61 3.27 2.04 -1.63 0.36 117.51 120.32 2ctj h ILE 42 Ca -0.09 -0.07 0.11 0.00 1.00 0.00 0.00 64.86 65.82 2ctj h ILE 42 Cb 0.80 0.15 -0.08 0.00 -0.74 0.00 0.00 36.82 36.94 2ctj h ILE 42 CO 0.10 0.04 0.16 0.24 0.00 0.00 0.00 178.15 178.68 2ctj h MET 43 N 0.21 0.29 0.22 2.37 2.86 -1.12 0.18 114.93 119.92 2ctj h MET 43 Ca 0.48 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 58.10 2ctj h MET 43 Cb 0.91 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.51 2ctj h MET 43 CO -0.62 0.19 -0.11 1.49 1.06 0.00 0.00 176.91 178.92 2ctj h GLU 44 N 0.29 -0.29 -0.90 1.72 4.22 -0.52 0.95 114.58 120.07 2ctj h GLU 44 Ca 0.32 0.02 0.24 0.00 0.08 0.00 0.00 59.36 60.02 2ctj h GLU 44 Cb 0.47 0.06 -0.16 0.00 0.50 0.00 0.00 28.75 29.62 2ctj h GLU 44 CO -0.39 -0.15 0.11 0.93 -2.18 0.00 0.00 179.01 177.33 2ctj h GLU 45 N -1.07 0.10 0.86 1.92 4.39 -0.34 -0.77 114.58 119.67 2ctj h GLU 45 Ca -0.03 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 2ctj h GLU 45 Cb 0.27 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2ctj h GLU 45 CO 0.05 0.06 -0.45 0.00 -1.16 0.00 0.00 179.01 177.52 2ctj n GLY 47 N -1.61 0.22 0.00 0.00 0.00 -0.30 -4.92 105.19 98.58 2ctj n GLY 47 Ca -0.15 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 3.96 -0.02 0.00 0.31 -4.89 105.19 104.55 2ctj n GLY 48 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 4.55 -0.26 1.61 -7.23 -1.11 -4.90 120.40 113.05 2ctj s VAL 49 Ca 0.00 -0.60 0.02 0.00 -1.81 0.00 0.00 61.98 59.59 2ctj s VAL 49 Cb 0.00 -3.65 0.06 0.00 0.56 0.00 0.00 36.38 33.35 2ctj s VAL 49 CO 0.00 -0.39 -0.07 -1.00 -0.31 0.00 0.00 175.10 173.32 2ctj s HIS 50 N -2.35 3.06 -0.01 2.82 0.09 0.37 -4.73 115.29 114.53 2ctj s HIS 50 Ca 0.43 -2.23 -0.24 0.00 -0.00 0.00 0.00 55.06 53.02 2ctj s HIS 50 Cb -0.10 -1.93 -0.05 0.00 -0.00 0.00 0.00 32.58 30.50 2ctj s HIS 50 CO 0.35 -0.86 0.73 0.42 -0.00 0.00 0.00 174.74 175.38 2ctj s ILE 51 N 1.17 4.89 -0.23 0.60 1.01 -1.26 -0.79 121.20 126.59 2ctj s ILE 51 Ca -0.06 1.53 -0.06 0.00 0.00 0.00 0.00 60.65 62.06 2ctj s ILE 51 Cb -0.20 -4.07 -0.02 0.00 0.01 0.00 0.00 42.46 38.18 2ctj s ILE 51 CO -0.06 0.31 0.03 -1.00 0.00 0.00 0.00 174.94 174.22 2ctj s HIS 52 N 0.33 3.05 -0.08 3.97 3.76 0.12 -4.99 115.29 121.45 2ctj s HIS 52 Ca 0.38 -0.53 0.02 0.00 -0.15 0.00 0.00 55.06 54.77 2ctj s HIS 52 Cb -0.19 -2.17 -0.02 0.00 1.11 0.00 0.00 32.58 31.31 2ctj s HIS 52 CO 0.21 -0.36 -0.13 -0.06 -0.85 0.00 0.00 174.74 173.55 2ctj s PHE 53 N 1.40 2.76 0.57 1.40 0.08 -1.26 -2.25 117.98 120.69 2ctj s PHE 53 Ca 0.05 -0.33 -0.18 0.00 0.12 0.00 0.00 56.93 56.59 2ctj s PHE 53 Cb -0.15 -1.72 -0.04 0.00 -0.57 0.00 0.00 43.02 40.54 2ctj s PHE 53 CO 0.02 0.04 1.12 -1.25 -0.10 0.00 0.00 175.22 175.05 2ctj s PRO 54 N -0.31 3.21 0.27 0.24 0.04 -1.26 -5.00 135.00 132.18 2ctj s PRO 54 Ca 0.03 1.55 -0.29 0.00 0.04 0.00 0.00 61.00 62.33 2ctj s PRO 54 Cb -0.13 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 2ctj s PRO 54 CO 0.03 -0.96 1.05 0.08 0.04 0.00 0.00 177.00 177.24 2ctj s VAL 55 N -1.93 3.67 0.70 -0.36 1.01 -1.26 -5.00 120.40 117.23 2ctj s VAL 55 Ca 0.71 1.66 -0.16 0.00 0.00 0.00 0.00 61.98 64.19 2ctj s VAL 55 Cb -0.23 -4.05 -0.00 0.00 0.00 0.00 0.00 36.38 32.10 2ctj s VAL 55 CO 0.31 0.38 1.00 -0.62 0.00 0.00 0.00 175.10 176.16 2ctj n GLU 56 N 1.20 0.60 0.00 2.72 4.71 -1.26 -2.73 120.64 125.88 2ctj n GLU 56 Ca -0.01 0.26 0.00 0.00 -0.01 0.00 0.00 57.16 57.40 2ctj n GLU 56 Cb 0.46 -2.24 0.00 0.00 -1.01 0.00 0.00 31.44 28.64 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 1.09 1.57 0.32 0.62 0.00 -1.26 -4.74 105.19 102.79 2ctj n GLY 57 Ca 0.13 -0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.13 2ctj n GLY 57 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ctj n SER 58 N 2.86 -0.41 0.00 1.61 2.88 -1.11 -4.81 113.62 114.64 2ctj n SER 58 Ca 0.00 1.50 0.00 0.00 -1.33 0.00 0.00 58.87 59.04 2ctj n SER 58 Cb 0.00 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 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 -1.49 1.15 2.95 0.46 0.00 -1.26 -5.12 105.19 101.89 2ctj n GLY 59 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 3.47 -0.62 1.61 0.15 -1.26 -5.01 113.70 110.04 2ctj s SER 60 Ca 0.00 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 55.70 2ctj s SER 60 Cb 0.00 -1.15 0.42 0.00 -1.71 0.00 0.00 66.02 63.58 2ctj s SER 60 CO 0.00 -0.19 1.77 0.47 1.20 0.00 0.00 173.24 176.49 2ctj n ASP 61 N 4.72 6.81 -4.22 5.45 9.92 -1.26 -4.60 116.55 133.37 2ctj n ASP 61 Ca -0.13 -3.79 -0.29 0.00 -0.53 0.00 0.00 54.79 50.05 2ctj n ASP 61 Cb 0.46 -0.82 -0.16 0.00 -0.64 0.00 0.00 41.12 39.95 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 -4.92 1.76 -0.36 -3.53 2.01 -1.26 -1.70 115.64 107.64 2ctj s THR 62 Ca 0.57 -0.92 -0.04 0.00 0.31 0.00 0.00 61.69 61.61 2ctj s THR 62 Cb 0.46 -1.48 0.07 0.00 0.01 0.00 0.00 72.50 71.56 2ctj s THR 62 CO -0.12 0.50 0.12 -0.69 -0.69 0.00 0.00 174.62 173.73 2ctj s VAL 63 N -0.22 3.41 -0.30 3.82 1.01 -0.33 -4.24 120.40 123.55 2ctj s VAL 63 Ca 0.00 -1.52 -0.18 0.00 0.00 0.00 0.00 61.98 60.28 2ctj s VAL 63 Cb -0.11 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 2ctj s VAL 63 CO 0.02 -0.34 0.53 -0.69 0.00 0.00 0.00 175.10 174.61 2ctj s VAL 64 N 1.28 5.03 -0.13 2.92 1.01 -0.95 -0.87 120.40 128.69 2ctj s VAL 64 Ca 0.01 0.68 -0.06 0.00 0.00 0.00 0.00 61.98 62.60 2ctj s VAL 64 Cb -0.21 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2ctj s VAL 64 CO -0.01 -0.05 0.09 -0.63 0.00 0.00 0.00 175.10 174.51 2ctj s ILE 65 N 2.38 5.10 -0.03 2.22 1.01 -0.88 0.15 121.20 131.15 2ctj s ILE 65 Ca 0.21 0.06 0.06 0.00 0.00 0.00 0.00 60.65 60.98 2ctj s ILE 65 Cb -0.15 -3.23 -0.02 0.00 0.01 0.00 0.00 42.46 39.07 2ctj s ILE 65 CO 0.11 0.58 -0.20 -0.13 0.00 0.00 0.00 174.94 175.29 2ctj s ARG 66 N -0.67 2.26 0.00 2.79 0.52 0.03 -2.30 118.95 121.58 2ctj s ARG 66 Ca 0.12 -0.84 0.00 0.00 -0.52 0.00 0.00 55.73 54.49 2ctj s ARG 66 Cb -0.12 -2.19 0.00 0.00 0.52 0.00 0.00 34.95 33.16 2ctj s ARG 66 CO 0.02 0.58 0.00 0.41 0.02 0.00 0.00 175.30 176.34 2ctj n GLY 67 N 2.30 0.34 3.63 -3.53 0.00 -1.24 -0.48 105.19 106.22 2ctj n GLY 67 Ca -0.17 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.92 3.78 0.42 1.61 0.04 -1.26 -0.10 135.00 137.57 2ctj s PRO 68 Ca 0.00 1.65 0.37 0.00 0.04 0.00 0.00 61.00 63.05 2ctj s PRO 68 Cb 0.00 -4.04 1.34 0.00 0.04 0.00 0.00 34.50 31.84 2ctj s PRO 68 CO 0.00 -1.31 1.25 -1.13 0.04 0.00 0.00 177.00 175.85 2ctj n SER 69 N 8.50 0.04 -0.03 6.66 3.41 -1.26 0.17 113.62 131.12 2ctj n SER 69 Ca 0.19 0.88 -0.10 0.00 -0.26 0.00 0.00 58.87 59.58 2ctj n SER 69 Cb 0.45 -0.44 -0.04 0.00 -0.26 0.00 0.00 64.21 63.93 2ctj n SER 69 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2ctj h SER 70 N 0.00 0.09 0.71 4.04 0.02 -1.98 -0.72 113.55 115.71 2ctj h SER 70 Ca 0.74 0.01 -0.26 0.00 -0.84 0.00 0.00 61.79 61.45 2ctj h SER 70 Cb 2.85 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 65.35 2ctj h SER 70 CO -0.10 0.08 -1.36 0.44 -1.14 0.00 0.00 176.83 174.75 2ctj h ASP 71 N 0.16 0.07 -0.61 3.07 3.32 0.14 -3.35 116.42 119.21 2ctj h ASP 71 Ca 0.07 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.03 2ctj h ASP 71 Cb 0.03 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2ctj h ASP 71 CO -0.06 1.08 0.41 0.58 -1.72 0.00 0.00 179.24 179.53 2ctj h VAL 72 N 0.01 1.16 -0.04 -1.35 2.07 -0.78 0.20 116.25 117.52 2ctj h VAL 72 Ca -0.15 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.09 2ctj h VAL 72 Cb 1.90 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 2ctj h VAL 72 CO 0.12 0.15 0.03 1.05 0.02 0.00 0.00 177.57 178.94 2ctj h GLU 73 N 0.83 0.00 0.19 1.57 4.11 -1.25 -0.23 114.58 119.79 2ctj h GLU 73 Ca 0.22 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.31 2ctj h GLU 73 Cb -0.09 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.17 2ctj h GLU 73 CO -0.05 0.00 -1.70 0.87 0.07 0.00 0.00 179.01 178.20 2ctj h LYS 74 N 0.00 0.39 -0.27 1.06 1.57 -1.45 -3.14 116.57 114.73 2ctj h LYS 74 Ca 0.02 -0.67 -0.05 0.00 -1.87 0.00 0.00 60.65 58.07 2ctj h LYS 74 Cb 0.08 0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2ctj h LYS 74 CO -0.00 1.31 -0.06 0.00 -0.57 0.00 0.00 179.45 180.12 2ctj h ALA 75 N 0.17 1.39 0.20 3.86 0.00 -0.09 -2.14 119.26 122.64 2ctj h ALA 75 Ca -0.32 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 2ctj h ALA 75 Cb 2.10 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.76 2ctj h ALA 75 CO 0.19 0.42 -0.10 -0.22 0.00 0.00 0.00 179.25 179.54 2ctj h LYS 76 N 0.41 -0.26 -0.50 0.00 3.64 -1.18 -2.25 116.57 116.44 2ctj h LYS 76 Ca 0.09 0.02 0.15 0.00 -1.27 0.00 0.00 60.65 59.63 2ctj h LYS 76 Cb 0.37 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 2ctj h LYS 76 CO 0.02 0.14 0.36 1.57 -2.27 0.00 0.00 179.45 179.27 2ctj h LYS 77 N -0.82 0.00 -0.03 1.90 2.10 -1.49 0.45 116.57 118.68 2ctj h LYS 77 Ca -0.03 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.38 2ctj h LYS 77 Cb 0.52 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.86 2ctj h LYS 77 CO 0.05 0.00 -0.95 1.96 -2.00 0.00 0.00 179.45 178.51 2ctj h GLN 78 N 0.00 0.57 0.06 0.07 4.20 -1.35 -2.85 115.11 115.82 2ctj h GLN 78 Ca 0.24 -0.58 -0.00 0.00 0.06 0.00 0.00 58.65 58.36 2ctj h GLN 78 Cb 0.97 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.90 2ctj h GLN 78 CO -0.00 1.20 -0.03 1.25 -0.67 0.00 0.00 178.83 180.58 2ctj h LEU 79 N 0.34 -0.07 -1.23 1.46 5.85 -0.38 -2.39 115.31 118.88 2ctj h LEU 79 Ca -0.09 -0.47 0.13 0.00 0.84 0.00 0.00 57.88 58.29 2ctj h LEU 79 Cb 1.58 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 42.56 2ctj h LEU 79 CO 0.18 0.46 0.58 -0.07 -0.34 0.00 0.00 178.44 179.24 2ctj h LEU 80 N -0.63 0.72 0.45 2.25 4.07 -1.12 0.06 115.31 121.12 2ctj h LEU 80 Ca -0.01 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 57.97 2ctj h LEU 80 Cb 0.53 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.17 2ctj h LEU 80 CO 0.01 0.38 -0.22 -0.74 -1.08 0.00 0.00 178.44 176.80 2ctj h HIS 81 N 0.77 -0.56 0.04 1.13 2.76 -1.49 -3.09 115.15 114.71 2ctj h HIS 81 Ca 0.44 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.62 2ctj h HIS 81 Cb 0.62 0.19 -0.05 0.00 1.55 0.00 0.00 27.41 29.71 2ctj h HIS 81 CO -0.00 -0.35 -0.49 -0.07 -1.30 0.00 0.00 177.93 175.71 2ctj h LEU 82 N -0.82 -1.51 -0.70 0.26 3.38 -1.21 0.12 115.31 114.82 2ctj h LEU 82 Ca -0.06 0.17 0.10 0.00 0.09 0.00 0.00 57.88 58.17 2ctj h LEU 82 Cb 0.47 0.57 -0.11 0.00 0.09 0.00 0.00 40.66 41.68 2ctj h LEU 82 CO 0.10 -0.50 -0.30 0.00 0.09 0.00 0.00 178.44 177.84 2ctj n ALA 83 N -2.92 -0.14 -0.04 1.53 0.00 -0.01 0.52 120.51 119.45 2ctj n ALA 83 Ca -0.07 0.68 -0.12 0.00 0.00 0.00 0.00 53.44 53.93 2ctj n ALA 83 Cb 0.37 -0.28 -0.07 0.00 0.00 0.00 0.00 19.45 19.47 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 0.20 -0.26 0.00 4.39 -1.33 -1.01 114.58 116.57 2ctj h GLU 84 Ca 0.22 -0.08 0.06 0.00 0.34 0.00 0.00 59.36 59.90 2ctj h GLU 84 Cb 0.40 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.96 2ctj h GLU 84 CO -0.69 0.53 -0.41 0.93 -1.16 0.00 0.00 179.01 178.20 2ctj h GLU 85 N -0.15 -0.39 -0.61 2.33 4.39 0.28 -1.65 114.58 118.78 2ctj h GLU 85 Ca 0.02 0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 2ctj h GLU 85 Cb 0.46 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.17 2ctj h GLU 85 CO 0.01 -0.26 0.24 0.87 -1.16 0.00 0.00 179.01 178.71 2ctj h LYS 86 N -0.40 0.92 -6.00 2.33 1.57 -0.54 -3.43 116.57 111.01 2ctj h LYS 86 Ca 0.11 -0.17 -0.78 0.00 -1.87 0.00 0.00 60.65 57.94 2ctj h LYS 86 Cb 0.60 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 2ctj h LYS 86 CO -0.48 0.79 1.23 0.94 -0.57 0.00 0.00 179.45 181.35 2ctj n GLN 87 N -4.44 0.10 -2.16 3.15 7.27 -0.38 -4.89 117.38 116.02 2ctj n GLN 87 Ca 0.04 0.03 -0.29 0.00 0.07 0.00 0.00 57.00 56.85 2ctj n GLN 87 Cb 0.17 -1.58 0.02 0.00 2.41 0.00 0.00 30.24 31.26 2ctj n GLN 87 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 2ctj s THR 88 N 5.60 4.25 0.56 1.69 -1.32 -1.26 -4.96 115.64 120.20 2ctj s THR 88 Ca 1.17 0.44 0.05 0.00 -1.21 0.00 0.00 61.69 62.14 2ctj s THR 88 Cb -1.45 -3.69 0.06 0.00 -1.51 0.00 0.00 72.50 65.92 2ctj s THR 88 CO 0.67 -0.81 0.78 -1.59 -2.21 0.00 0.00 174.62 171.46 2ctj s LYS 89 N -5.08 2.35 0.01 7.08 0.00 -1.26 -5.00 119.74 117.83 2ctj s LYS 89 Ca 0.54 -1.20 -0.39 0.00 0.00 0.00 0.00 55.97 54.92 2ctj s LYS 89 Cb -0.11 -2.56 -0.18 0.00 0.00 0.00 0.00 37.83 34.98 2ctj s LYS 89 CO 0.49 -0.82 1.23 0.45 0.00 0.00 0.00 175.35 176.71 2ctj n SER 90 N -2.31 0.84 -4.53 0.03 2.88 -1.26 -4.91 113.62 104.36 2ctj n SER 90 Ca 0.12 1.14 -0.29 0.00 -1.33 0.00 0.00 58.87 58.51 2ctj n SER 90 Cb 0.60 -1.04 0.21 0.00 -0.75 0.00 0.00 64.21 63.23 2ctj n SER 90 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ctj s GLY 91 N 0.46 1.55 0.00 0.46 0.00 -1.26 -4.88 107.32 103.65 2ctj s GLY 91 Ca 0.89 -0.39 0.15 0.00 0.00 0.00 0.00 44.72 45.37 2ctj s GLY 91 CO 0.54 0.29 1.37 -1.55 0.00 0.00 0.00 173.10 173.75 2ctj n PRO 92 N -4.49 0.39 -3.27 2.90 -0.04 -1.26 -4.71 135.00 124.51 2ctj n PRO 92 Ca 0.05 0.05 -0.38 0.00 -0.04 0.00 0.00 63.50 63.18 2ctj n PRO 92 Cb 0.57 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.47 2ctj n PRO 92 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2ctj s SER 93 N -2.21 6.85 0.43 3.54 0.01 -1.26 -5.08 113.70 115.98 2ctj s SER 93 Ca 0.20 1.01 0.07 0.00 1.31 0.00 0.00 55.95 58.54 2ctj s SER 93 Cb 0.10 -2.32 -0.03 0.00 0.21 0.00 0.00 66.02 63.98 2ctj s SER 93 CO 0.20 0.08 0.25 -0.44 0.41 0.00 0.00 173.24 173.74 2ctj s SER 94 N 0.05 4.59 0.00 2.44 0.01 -1.26 -5.13 113.70 114.41 2ctj s SER 94 Ca 0.29 -1.04 0.00 0.00 1.31 0.00 0.00 55.95 56.51 2ctj s SER 94 Cb -0.17 -0.36 0.00 0.00 0.21 0.00 0.00 66.02 65.71 2ctj s SER 94 CO 0.14 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 173.75