#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctj n SER 2 N 0.00 -1.12 -4.45 1.61 7.64 -1.26 -4.90 113.62 111.14 2ctj n SER 2 Ca 0.00 -1.15 -0.23 0.00 1.01 0.00 0.00 58.87 58.50 2ctj n SER 2 Cb 0.00 -1.46 -0.10 0.00 -1.01 0.00 0.00 64.21 61.64 2ctj n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2ctj s SER 3 N -3.32 3.34 -0.37 6.43 0.15 -1.26 -5.08 113.70 113.59 2ctj s SER 3 Ca 0.60 -1.06 0.03 0.00 0.70 0.00 0.00 55.95 56.23 2ctj s SER 3 Cb -0.35 -0.26 0.31 0.00 -1.71 0.00 0.00 66.02 64.01 2ctj s SER 3 CO 0.94 -0.06 1.28 0.61 1.20 0.00 0.00 173.24 177.21 2ctj n GLY 4 N -0.59 -1.01 3.04 9.45 0.00 -1.26 -5.16 105.19 109.67 2ctj n GLY 4 Ca -0.06 0.67 -0.13 0.00 0.00 0.00 0.00 46.02 46.50 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 -0.54 0.74 -0.02 1.61 0.15 -1.26 -5.06 113.70 109.32 2ctj s SER 5 Ca 0.23 -0.48 -0.26 0.00 0.70 0.00 0.00 55.95 56.15 2ctj s SER 5 Cb 0.27 0.03 -0.20 0.00 -1.71 0.00 0.00 66.02 64.41 2ctj s SER 5 CO -0.15 -0.18 1.27 0.77 1.20 0.00 0.00 173.24 176.15 2ctj h SER 6 N 4.74 0.03 -0.74 5.45 4.64 -2.09 -3.49 113.55 122.09 2ctj h SER 6 Ca -0.34 -0.49 0.00 0.00 -0.47 0.00 0.00 61.79 60.49 2ctj h SER 6 Cb 1.20 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2ctj h SER 6 CO 0.42 0.51 0.00 0.61 -0.87 0.00 0.00 176.83 177.50 2ctj n GLY 7 N 0.23 0.82 3.10 -0.77 0.00 -1.26 -5.06 105.19 102.25 2ctj n GLY 7 Ca -0.08 -0.67 -0.36 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.19 5.93 -0.13 1.61 0.15 -1.26 -4.91 113.70 112.90 2ctj s SER 8 Ca 0.00 -3.71 -0.00 0.00 0.70 0.00 0.00 55.95 52.94 2ctj s SER 8 Cb 0.00 -1.90 0.09 0.00 -1.71 0.00 0.00 66.02 62.51 2ctj s SER 8 CO 0.00 -0.18 1.95 2.30 1.20 0.00 0.00 173.24 178.51 2ctj n ILE 9 N 2.35 2.27 -0.08 6.45 -5.35 -1.26 -4.10 119.36 119.63 2ctj n ILE 9 Ca 0.21 -0.95 -0.22 0.00 -0.27 0.00 0.00 62.75 61.52 2ctj n ILE 9 Cb 0.37 -1.39 -0.12 0.00 -1.74 0.00 0.00 39.64 36.75 2ctj n ILE 9 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2ctj n GLN 10 N 0.95 0.62 -3.21 6.28 3.00 -1.26 -4.98 117.38 118.78 2ctj n GLN 10 Ca 0.13 0.47 -0.18 0.00 -0.01 0.00 0.00 57.00 57.40 2ctj n GLN 10 Cb 0.55 -1.72 -0.00 0.00 0.00 0.00 0.00 30.24 29.06 2ctj n GLN 10 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2ctj s LYS 11 N -2.43 2.74 0.17 -1.09 1.02 -1.26 -5.14 119.74 113.75 2ctj s LYS 11 Ca -0.28 -1.33 -0.14 0.00 0.02 0.00 0.00 55.97 54.24 2ctj s LYS 11 Cb 0.07 -2.63 0.02 0.00 -0.52 0.00 0.00 37.83 34.76 2ctj s LYS 11 CO 0.63 -0.23 0.41 -0.51 -0.92 0.00 0.00 175.35 174.73 2ctj s ASP 12 N -4.27 -0.15 -0.71 2.83 1.01 -1.26 -5.10 116.67 109.03 2ctj s ASP 12 Ca 0.52 -0.57 -0.25 0.00 0.71 0.00 0.00 52.55 52.96 2ctj s ASP 12 Cb -0.08 0.50 0.04 0.00 1.01 0.00 0.00 42.92 44.40 2ctj s ASP 12 CO 0.31 -0.95 1.16 -0.76 0.21 0.00 0.00 175.17 175.14 2ctj s LEU 13 N -2.89 3.61 -0.09 1.23 1.02 -1.26 -4.97 118.68 115.34 2ctj s LEU 13 Ca 0.10 -0.64 -0.04 0.00 0.02 0.00 0.00 54.13 53.57 2ctj s LEU 13 Cb 0.01 -2.51 0.05 0.00 0.02 0.00 0.00 46.19 43.76 2ctj s LEU 13 CO -0.04 -1.69 0.18 0.00 0.02 0.00 0.00 176.35 174.81 2ctj s ALA 14 N 5.13 -0.29 0.36 4.21 0.00 -1.26 -5.02 121.76 124.88 2ctj s ALA 14 Ca 0.30 0.70 0.18 0.00 0.00 0.00 0.00 51.96 53.13 2ctj s ALA 14 Cb -0.11 -0.70 1.23 0.00 0.00 0.00 0.00 23.12 23.54 2ctj s ALA 14 CO 0.13 -0.39 1.60 -2.95 0.00 0.00 0.00 175.76 174.15 2ctj h ASN 15 N 7.83 0.30 -1.44 0.00 -1.07 -2.00 -3.42 115.58 115.79 2ctj h ASN 15 Ca -0.27 0.24 -0.50 0.00 0.07 0.00 0.00 56.30 55.84 2ctj h ASN 15 Cb 1.13 0.25 0.13 0.00 -2.07 0.00 0.00 38.32 37.77 2ctj h ASN 15 CO 0.27 -0.35 -0.82 -0.38 0.07 0.00 0.00 177.43 176.21 2ctj n ILE 16 N -5.23 0.38 -3.91 6.14 2.08 -1.26 -4.78 119.36 112.78 2ctj n ILE 16 Ca 0.35 -0.41 -0.29 0.00 0.56 0.00 0.00 62.75 62.96 2ctj n ILE 16 Cb 1.16 0.00 -0.16 0.00 -0.75 0.00 0.00 39.64 39.89 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 -1.44 1.64 -0.41 -1.39 0.00 -0.11 -4.96 121.76 115.08 2ctj s ALA 17 Ca 0.48 -0.98 -0.22 0.00 0.00 0.00 0.00 51.96 51.24 2ctj s ALA 17 Cb -0.49 -1.20 0.02 0.00 0.00 0.00 0.00 23.12 21.44 2ctj s ALA 17 CO 0.52 -0.87 0.71 -2.00 0.00 0.00 0.00 175.76 174.12 2ctj s GLU 18 N 1.56 3.49 -0.13 0.00 2.12 -1.26 -3.73 118.70 120.74 2ctj s GLU 18 Ca -0.01 -0.08 0.02 0.00 0.36 0.00 0.00 54.97 55.26 2ctj s GLU 18 Cb -0.16 -3.89 0.01 0.00 0.26 0.00 0.00 34.13 30.35 2ctj s GLU 18 CO -0.08 -0.96 -0.18 0.08 -0.54 0.00 0.00 175.26 173.59 2ctj s VAL 19 N 3.00 1.74 0.13 3.70 1.01 -0.82 -4.95 120.40 124.21 2ctj s VAL 19 Ca 0.27 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.51 2ctj s VAL 19 Cb -0.13 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 2ctj s VAL 19 CO 0.19 0.49 0.13 -1.61 0.00 0.00 0.00 175.10 174.29 2ctj s GLU 20 N 1.03 2.94 0.02 2.72 2.02 -1.26 -1.38 118.70 124.79 2ctj s GLU 20 Ca -0.04 -0.77 0.01 0.00 0.02 0.00 0.00 54.97 54.19 2ctj s GLU 20 Cb -0.15 -2.71 -0.01 0.00 0.10 0.00 0.00 34.13 31.36 2ctj s GLU 20 CO -0.04 0.52 -0.04 0.54 0.02 0.00 0.00 175.26 176.26 2ctj s VAL 21 N -1.60 0.27 -0.25 2.63 0.11 -0.76 -4.96 120.40 115.84 2ctj s VAL 21 Ca 0.31 -0.61 -0.29 0.00 -2.93 0.00 0.00 61.98 58.46 2ctj s VAL 21 Cb -0.11 -0.32 0.01 0.00 -1.53 0.00 0.00 36.38 34.43 2ctj s VAL 21 CO 0.23 -0.22 1.05 -0.55 -3.33 0.00 0.00 175.10 172.28 2ctj s SER 22 N -0.89 7.07 -0.19 3.54 0.15 -1.26 -1.75 113.70 120.36 2ctj s SER 22 Ca -0.07 1.31 -0.17 0.00 0.70 0.00 0.00 55.95 57.73 2ctj s SER 22 Cb -0.06 -2.54 0.05 0.00 -1.71 0.00 0.00 66.02 61.76 2ctj s SER 22 CO -0.00 -0.71 0.50 -0.63 1.20 0.00 0.00 173.24 173.60 2ctj s ILE 23 N 3.29 -0.00 0.44 6.45 1.01 0.63 -5.00 121.20 128.02 2ctj s ILE 23 Ca 0.44 0.01 -0.24 0.00 0.00 0.00 0.00 60.65 60.87 2ctj s ILE 23 Cb -0.14 -0.71 -0.08 0.00 0.01 0.00 0.00 42.46 41.54 2ctj s ILE 23 CO 0.08 0.00 1.17 -2.16 0.00 0.00 0.00 174.94 174.04 2ctj s PRO 24 N 0.44 3.83 0.39 2.79 0.04 -1.26 -4.10 135.00 137.12 2ctj s PRO 24 Ca -0.01 1.81 0.15 0.00 0.04 0.00 0.00 61.00 62.98 2ctj s PRO 24 Cb -0.04 -2.48 0.80 0.00 0.04 0.00 0.00 34.50 32.82 2ctj s PRO 24 CO -0.02 -0.50 1.85 0.00 0.04 0.00 0.00 177.00 178.37 2ctj h ALA 25 N 2.20 1.36 -0.31 8.56 0.00 -1.93 -2.57 119.26 126.58 2ctj h ALA 25 Ca -0.49 -0.31 0.09 0.00 0.00 0.00 0.00 54.91 54.20 2ctj h ALA 25 Cb 1.24 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2ctj h ALA 25 CO 0.61 0.42 0.23 1.57 0.00 0.00 0.00 179.25 182.08 2ctj h LYS 26 N 0.00 0.00 0.10 0.00 2.10 -1.99 -2.21 116.57 114.57 2ctj h LYS 26 Ca -0.00 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 58.29 2ctj h LYS 26 Cb 0.63 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.93 2ctj h LYS 26 CO 0.04 0.00 -2.02 1.28 -2.00 0.00 0.00 179.45 176.76 2ctj n LEU 27 N -4.34 2.47 -0.24 7.07 4.77 -1.00 -4.36 117.00 121.37 2ctj n LEU 27 Ca 0.04 0.20 -0.06 0.00 -0.03 0.00 0.00 56.01 56.16 2ctj n LEU 27 Cb 0.40 -0.96 -0.06 0.00 -2.33 0.00 0.00 43.42 40.47 2ctj n LEU 27 CO 0.35 0.81 0.38 1.41 -1.33 0.00 0.00 177.39 179.01 2ctj n HIS 28 N -3.41 -0.25 -0.15 -1.77 8.25 -0.84 -0.23 115.22 116.82 2ctj n HIS 28 Ca -0.32 0.71 -0.10 0.00 -0.26 0.00 0.00 57.72 57.75 2ctj n HIS 28 Cb 1.04 -0.52 -0.05 0.00 1.12 0.00 0.00 29.99 31.59 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 -1.51 -0.08 0.41 4.21 -1.77 0.57 115.58 117.42 2ctj h ASN 29 Ca 0.09 0.23 0.02 0.00 1.21 0.00 0.00 56.30 57.85 2ctj h ASN 29 Cb 0.23 0.66 -0.06 0.00 -1.12 0.00 0.00 38.32 38.04 2ctj h ASN 29 CO -0.53 -0.36 -0.49 -1.28 -1.29 0.00 0.00 177.43 173.47 2ctj h SER 30 N -0.31 -1.54 -0.57 5.81 0.87 -0.81 -0.17 113.55 116.84 2ctj h SER 30 Ca 0.14 0.18 0.11 0.00 -1.23 0.00 0.00 61.79 60.99 2ctj h SER 30 Cb 0.58 0.60 -0.11 0.00 -0.44 0.00 0.00 62.40 63.02 2ctj h SER 30 CO -0.61 -0.45 -0.17 -0.07 -0.53 0.00 0.00 176.83 174.99 2ctj h LEU 31 N -0.56 -0.63 -0.09 2.23 3.38 -0.41 -1.57 115.31 117.67 2ctj h LEU 31 Ca 0.02 0.18 0.04 0.00 0.09 0.00 0.00 57.88 58.21 2ctj h LEU 31 Cb 0.63 0.39 -0.06 0.00 0.09 0.00 0.00 40.66 41.71 2ctj h LEU 31 CO -0.37 -0.21 -0.28 0.40 0.09 0.00 0.00 178.44 178.07 2ctj h ILE 32 N -0.03 0.36 0.00 1.22 2.04 -0.13 -3.34 117.51 117.63 2ctj h ILE 32 Ca 0.27 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.13 2ctj h ILE 32 Cb 0.45 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2ctj h ILE 32 CO -0.60 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.16 2ctj n GLY 33 N -1.39 0.96 0.34 5.37 0.00 -0.15 -2.65 105.19 107.67 2ctj n GLY 33 Ca -0.03 -2.21 -0.03 0.00 0.00 0.00 0.00 46.02 43.75 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 0.14 0.00 2.61 1.03 -1.87 -3.29 112.91 111.54 2ctj h THR 34 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 2ctj h THR 34 Cb 0.00 0.14 0.00 0.00 -1.07 0.00 0.00 68.15 67.22 2ctj h THR 34 CO 0.00 0.00 -0.73 2.29 -0.01 0.00 0.00 175.52 177.07 2ctj n LYS 35 N -5.46 1.57 0.00 0.00 0.00 -1.26 -5.03 118.16 107.97 2ctj n LYS 35 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 2ctj n LYS 35 Cb 0.38 -0.86 0.00 0.00 -0.00 0.00 0.00 35.03 34.54 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 1.87 0.69 0.10 2.58 0.00 -1.23 -5.06 105.19 104.13 2ctj n GLY 36 Ca 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 0.69 0.14 1.61 1.85 -1.11 -3.30 116.66 116.53 2ctj n ARG 37 Ca 0.00 -0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.84 2ctj n ARG 37 Cb 0.00 -1.52 0.19 0.00 -1.05 0.00 0.00 32.46 30.07 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 0.02 0.04 2.89 3.38 -1.72 -3.04 115.31 116.88 2ctj h LEU 38 Ca -0.55 -0.01 -0.23 0.00 0.09 0.00 0.00 57.88 57.18 2ctj h LEU 38 Cb 2.24 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.96 2ctj h LEU 38 CO 0.03 0.61 -1.21 0.40 0.09 0.00 0.00 178.44 178.35 2ctj h ILE 39 N 0.01 1.03 -1.05 1.22 1.08 -1.67 -3.35 117.51 114.78 2ctj h ILE 39 Ca -0.01 -2.28 0.27 0.00 -0.39 0.00 0.00 64.86 62.46 2ctj h ILE 39 Cb 1.05 2.53 -0.10 0.00 -3.07 0.00 0.00 36.82 37.24 2ctj h ILE 39 CO 0.08 0.51 0.67 0.08 -0.69 0.00 0.00 178.15 178.81 2ctj h ARG 40 N -0.71 0.38 0.00 2.37 0.11 -1.63 -2.01 114.38 112.89 2ctj h ARG 40 Ca -0.30 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.76 2ctj h ARG 40 Cb 1.46 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 32.46 2ctj h ARG 40 CO -0.08 0.25 0.00 0.45 0.10 0.00 0.00 179.97 180.69 2ctj n SER 41 N -4.65 0.00 -0.33 0.08 2.88 -1.15 -2.25 113.62 108.20 2ctj n SER 41 Ca 0.26 0.96 0.22 0.00 -1.33 0.00 0.00 58.87 58.99 2ctj n SER 41 Cb 0.90 -0.50 0.43 0.00 -0.75 0.00 0.00 64.21 64.30 2ctj n SER 41 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2ctj h ILE 42 N 0.00 0.08 -0.40 2.46 2.04 -1.59 0.73 117.51 120.84 2ctj h ILE 42 Ca 0.00 -0.02 0.06 0.00 1.00 0.00 0.00 64.86 65.90 2ctj h ILE 42 Cb 0.00 0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 36.04 2ctj h ILE 42 CO 0.00 0.01 0.09 0.24 0.00 0.00 0.00 178.15 178.49 2ctj h MET 43 N 0.07 0.21 0.03 2.37 2.86 -1.31 0.27 114.93 119.44 2ctj h MET 43 Ca 0.71 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 58.34 2ctj h MET 43 Cb 1.68 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.29 2ctj h MET 43 CO -0.79 0.14 -0.01 1.49 1.06 0.00 0.00 176.91 178.80 2ctj h GLU 44 N 0.22 -0.04 -0.91 1.72 4.57 0.61 0.29 114.58 121.04 2ctj h GLU 44 Ca 0.19 0.00 0.21 0.00 -1.18 0.00 0.00 59.36 58.58 2ctj h GLU 44 Cb 0.23 0.01 -0.17 0.00 -0.16 0.00 0.00 28.75 28.66 2ctj h GLU 44 CO -0.25 0.13 -0.11 0.93 -1.18 0.00 0.00 179.01 178.53 2ctj h GLU 45 N -1.01 0.02 -0.66 1.92 4.39 0.04 0.53 114.58 119.82 2ctj h GLU 45 Ca -0.00 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2ctj h GLU 45 Cb 0.19 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 2ctj h GLU 45 CO 0.01 0.01 0.41 0.00 -1.16 0.00 0.00 179.01 178.28 2ctj n GLY 47 N -1.19 1.15 0.00 0.00 0.00 0.19 -4.82 105.19 100.51 2ctj n GLY 47 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 3.91 -0.02 0.00 0.95 -4.82 105.19 105.21 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 0.00 4.97 -0.30 1.61 -7.23 -0.74 -4.89 120.40 113.82 2ctj s VAL 49 Ca 0.00 0.05 0.01 0.00 -1.81 0.00 0.00 61.98 60.23 2ctj s VAL 49 Cb 0.00 -3.81 0.07 0.00 0.56 0.00 0.00 36.38 33.19 2ctj s VAL 49 CO 0.00 -0.60 -0.03 -1.00 -0.31 0.00 0.00 175.10 173.16 2ctj s HIS 50 N -2.42 3.38 -0.01 2.82 0.09 -0.03 -4.68 115.29 114.44 2ctj s HIS 50 Ca 0.45 -2.33 -0.21 0.00 -0.00 0.00 0.00 55.06 52.97 2ctj s HIS 50 Cb -0.10 -2.25 -0.05 0.00 -0.00 0.00 0.00 32.58 30.18 2ctj s HIS 50 CO 0.37 -0.88 0.62 0.42 -0.00 0.00 0.00 174.74 175.27 2ctj s ILE 51 N 1.11 4.91 -0.21 0.60 1.01 -1.26 -1.40 121.20 125.96 2ctj s ILE 51 Ca -0.03 1.30 -0.03 0.00 0.00 0.00 0.00 60.65 61.88 2ctj s ILE 51 Cb -0.20 -3.96 -0.01 0.00 0.01 0.00 0.00 42.46 38.31 2ctj s ILE 51 CO -0.04 0.39 -0.06 -1.00 0.00 0.00 0.00 174.94 174.23 2ctj s HIS 52 N -0.06 2.94 -0.13 3.97 3.76 0.11 -5.01 115.29 120.88 2ctj s HIS 52 Ca 0.32 -0.96 -0.02 0.00 -0.15 0.00 0.00 55.06 54.26 2ctj s HIS 52 Cb -0.18 -2.08 -0.02 0.00 1.11 0.00 0.00 32.58 31.40 2ctj s HIS 52 CO 0.18 -0.54 -0.07 -0.06 -0.85 0.00 0.00 174.74 173.39 2ctj s PHE 53 N 1.41 2.94 0.73 1.40 0.08 -1.26 -2.47 117.98 120.81 2ctj s PHE 53 Ca 0.05 -0.32 -0.12 0.00 0.12 0.00 0.00 56.93 56.66 2ctj s PHE 53 Cb -0.14 -1.87 0.04 0.00 -0.57 0.00 0.00 43.02 40.48 2ctj s PHE 53 CO -0.04 0.00 1.10 -1.25 -0.10 0.00 0.00 175.22 174.93 2ctj s PRO 54 N 0.08 2.44 0.13 0.24 0.04 -1.26 -5.02 135.00 131.65 2ctj s PRO 54 Ca -0.02 1.25 -0.25 0.00 0.04 0.00 0.00 61.00 62.01 2ctj s PRO 54 Cb -0.14 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.41 2ctj s PRO 54 CO 0.03 -1.51 0.78 0.08 0.04 0.00 0.00 177.00 176.42 2ctj s VAL 55 N -2.70 4.47 0.23 -0.36 1.01 -1.26 -4.93 120.40 116.86 2ctj s VAL 55 Ca 0.63 1.69 -0.07 0.00 0.00 0.00 0.00 61.98 64.23 2ctj s VAL 55 Cb -0.18 -4.13 0.21 0.00 0.00 0.00 0.00 36.38 32.27 2ctj s VAL 55 CO 0.51 0.48 1.69 1.05 0.00 0.00 0.00 175.10 178.83 2ctj h GLU 56 N 4.72 0.25 -0.81 2.72 4.11 -1.95 -1.82 114.58 121.79 2ctj h GLU 56 Ca -0.46 -0.01 0.16 0.00 0.07 0.00 0.00 59.36 59.11 2ctj h GLU 56 Cb 1.21 -0.06 -0.15 0.00 0.50 0.00 0.00 28.75 30.25 2ctj h GLU 56 CO 0.67 0.16 -0.21 0.41 0.07 0.00 0.00 179.01 180.11 2ctj n GLY 57 N -1.34 -1.40 0.23 1.06 0.00 -1.26 -1.28 105.19 101.20 2ctj n GLY 57 Ca 0.12 0.87 -0.08 0.00 0.00 0.00 0.00 46.02 46.93 2ctj n GLY 57 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2ctj h SER 58 N 0.00 -0.43 0.00 1.61 0.02 -1.74 -3.49 113.55 109.52 2ctj h SER 58 Ca 0.38 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 2ctj h SER 58 Cb 0.58 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.23 2ctj h SER 58 CO -0.83 0.02 0.00 0.61 -1.14 0.00 0.00 176.83 175.48 2ctj n GLY 59 N 0.43 1.28 3.62 -3.77 0.00 -0.40 -5.08 105.19 101.27 2ctj n GLY 59 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 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 6.56 -0.27 1.61 0.15 -1.26 -4.94 113.70 113.56 2ctj s SER 60 Ca 0.00 0.67 0.02 0.00 0.70 0.00 0.00 55.95 57.34 2ctj s SER 60 Cb 0.00 -2.34 0.36 0.00 -1.71 0.00 0.00 66.02 62.33 2ctj s SER 60 CO 0.00 -0.38 1.59 0.47 1.20 0.00 0.00 173.24 176.12 2ctj n ASP 61 N 5.73 3.93 -4.20 5.45 8.00 -1.26 -4.64 116.55 129.56 2ctj n ASP 61 Ca -0.01 -2.94 -0.34 0.00 0.71 0.00 0.00 54.79 52.21 2ctj n ASP 61 Cb 0.49 -0.75 -0.15 0.00 -0.02 0.00 0.00 41.12 40.69 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 -1.98 2.53 -0.32 -3.53 2.01 -1.26 -0.27 115.64 112.82 2ctj s THR 62 Ca 0.33 -0.79 -0.08 0.00 0.31 0.00 0.00 61.69 61.46 2ctj s THR 62 Cb 0.27 -2.09 0.02 0.00 0.01 0.00 0.00 72.50 70.71 2ctj s THR 62 CO 0.05 0.50 0.12 -0.69 -0.69 0.00 0.00 174.62 173.92 2ctj s VAL 63 N 1.25 4.16 -0.12 3.82 1.01 -0.72 -4.45 120.40 125.36 2ctj s VAL 63 Ca 0.03 -0.76 -0.20 0.00 0.00 0.00 0.00 61.98 61.05 2ctj s VAL 63 Cb -0.14 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 2ctj s VAL 63 CO -0.08 -0.03 0.57 -0.69 0.00 0.00 0.00 175.10 174.87 2ctj s VAL 64 N 1.51 5.12 -0.03 2.92 1.01 -1.03 -1.83 120.40 128.06 2ctj s VAL 64 Ca 0.02 1.13 0.05 0.00 0.00 0.00 0.00 61.98 63.19 2ctj s VAL 64 Cb -0.18 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 2ctj s VAL 64 CO 0.04 0.27 -0.18 -0.63 0.00 0.00 0.00 175.10 174.59 2ctj s ILE 65 N 0.90 2.71 0.08 2.22 1.01 -0.48 0.09 121.20 127.74 2ctj s ILE 65 Ca 0.30 -0.89 0.09 0.00 0.00 0.00 0.00 60.65 60.14 2ctj s ILE 65 Cb -0.16 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 2ctj s ILE 65 CO 0.13 0.56 -0.23 -0.13 0.00 0.00 0.00 174.94 175.27 2ctj s ARG 66 N -0.76 1.33 0.00 2.79 0.52 -0.49 -1.94 118.95 120.39 2ctj s ARG 66 Ca 0.11 -1.13 0.00 0.00 -0.52 0.00 0.00 55.73 54.19 2ctj s ARG 66 Cb -0.10 -1.58 0.00 0.00 0.52 0.00 0.00 34.95 33.78 2ctj s ARG 66 CO 0.00 0.39 0.00 0.41 0.02 0.00 0.00 175.30 176.12 2ctj n GLY 67 N 1.35 0.98 3.67 -3.53 0.00 -1.24 -0.85 105.19 105.56 2ctj n GLY 67 Ca -0.18 -1.97 -0.42 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 -1.38 4.22 0.22 1.61 0.04 -1.26 -0.94 135.00 137.51 2ctj s PRO 68 Ca 0.00 2.02 -0.16 0.00 0.04 0.00 0.00 61.00 62.89 2ctj s PRO 68 Cb 0.00 -3.81 0.25 0.00 0.04 0.00 0.00 34.50 30.98 2ctj s PRO 68 CO 0.00 -0.74 1.48 -1.13 0.04 0.00 0.00 177.00 176.65 2ctj n SER 69 N 6.48 -0.60 -0.33 6.66 3.41 -1.26 0.97 113.62 128.96 2ctj n SER 69 Ca 0.15 1.66 0.28 0.00 -0.26 0.00 0.00 58.87 60.70 2ctj n SER 69 Cb 0.43 -0.39 0.52 0.00 -0.26 0.00 0.00 64.21 64.51 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 0.18 0.21 4.04 0.87 -2.00 0.42 113.55 117.27 2ctj h SER 70 Ca 0.34 0.26 -0.35 0.00 -1.23 0.00 0.00 61.79 60.81 2ctj h SER 70 Cb 0.58 0.30 -0.01 0.00 -0.44 0.00 0.00 62.40 62.83 2ctj h SER 70 CO -0.95 -0.39 -1.83 0.44 -0.53 0.00 0.00 176.83 173.56 2ctj h ASP 71 N 0.03 0.47 -0.13 6.23 3.32 0.29 -3.37 116.42 123.26 2ctj h ASP 71 Ca 0.79 -0.84 0.04 0.00 0.02 0.00 0.00 57.03 57.04 2ctj h ASP 71 Cb 1.99 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 41.34 2ctj h ASP 71 CO -0.78 1.73 -0.17 0.58 -1.72 0.00 0.00 179.24 178.88 2ctj h VAL 72 N 0.08 0.56 -0.76 -1.35 2.07 0.32 0.16 116.25 117.33 2ctj h VAL 72 Ca -0.36 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.33 2ctj h VAL 72 Cb 2.06 0.56 -0.14 0.00 -1.52 0.00 0.00 31.29 32.25 2ctj h VAL 72 CO 0.13 0.00 -0.04 1.05 0.02 0.00 0.00 177.57 178.73 2ctj h GLU 73 N -0.21 0.07 -0.21 1.57 4.11 -0.72 0.50 114.58 119.70 2ctj h GLU 73 Ca 0.10 -0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.35 2ctj h GLU 73 Cb 0.35 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2ctj h GLU 73 CO -0.25 0.04 -0.56 0.87 0.07 0.00 0.00 179.01 179.18 2ctj h LYS 74 N 0.07 0.63 -0.23 1.06 1.57 -1.56 -2.62 116.57 115.48 2ctj h LYS 74 Ca 0.41 -0.41 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2ctj h LYS 74 Cb 0.70 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 2ctj h LYS 74 CO -0.71 1.02 -0.08 0.00 -0.57 0.00 0.00 179.45 179.11 2ctj h ALA 75 N 0.89 1.42 0.15 3.86 0.00 0.23 -1.86 119.26 123.95 2ctj h ALA 75 Ca 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2ctj h ALA 75 Cb 1.12 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2ctj h ALA 75 CO 0.11 0.40 -0.07 -0.22 0.00 0.00 0.00 179.25 179.47 2ctj h LYS 76 N 0.35 -0.19 -0.15 0.00 3.64 -0.06 -2.30 116.57 117.86 2ctj h LYS 76 Ca 0.07 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.51 2ctj h LYS 76 Cb 0.37 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2ctj h LYS 76 CO 0.02 0.26 0.16 1.57 -2.27 0.00 0.00 179.45 179.18 2ctj h LYS 77 N -0.81 0.00 0.11 1.90 2.10 -1.41 -0.37 116.57 118.08 2ctj h LYS 77 Ca -0.02 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.36 2ctj h LYS 77 Cb 0.54 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.88 2ctj h LYS 77 CO 0.03 0.00 -1.18 1.96 -2.00 0.00 0.00 179.45 178.26 2ctj h GLN 78 N 0.00 0.38 -0.23 0.07 4.20 -1.31 -2.93 115.11 115.29 2ctj h GLN 78 Ca 0.07 -0.55 -0.13 0.00 0.06 0.00 0.00 58.65 58.11 2ctj h GLN 78 Cb 0.39 0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.35 2ctj h GLN 78 CO -0.00 1.23 -0.35 1.25 -0.67 0.00 0.00 178.83 180.29 2ctj h LEU 79 N 0.15 0.71 -0.63 1.46 5.85 -0.52 -2.61 115.31 119.71 2ctj h LEU 79 Ca -0.14 -0.52 -0.02 0.00 0.84 0.00 0.00 57.88 58.05 2ctj h LEU 79 Cb 1.87 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.67 2ctj h LEU 79 CO 0.20 1.09 0.32 -0.07 -0.34 0.00 0.00 178.44 179.65 2ctj h LEU 80 N 0.35 0.81 0.90 2.25 4.07 -1.32 0.64 115.31 123.01 2ctj h LEU 80 Ca 0.02 -0.11 -0.04 0.00 0.08 0.00 0.00 57.88 57.83 2ctj h LEU 80 Cb 0.93 -0.21 0.01 0.00 1.08 0.00 0.00 40.66 42.48 2ctj h LEU 80 CO 0.08 0.69 -0.43 -0.74 -1.08 0.00 0.00 178.44 176.96 2ctj h HIS 81 N 0.86 -1.12 -0.30 1.13 2.76 -1.51 -3.09 115.15 113.88 2ctj h HIS 81 Ca 0.22 -0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.40 2ctj h HIS 81 Cb 0.08 0.37 -0.04 0.00 1.55 0.00 0.00 27.41 29.37 2ctj h HIS 81 CO -0.00 -0.70 0.07 -0.07 -1.30 0.00 0.00 177.93 175.93 2ctj h LEU 82 N -1.22 0.04 -1.35 0.26 3.38 -1.43 -0.92 115.31 114.08 2ctj h LEU 82 Ca -0.12 0.04 0.47 0.00 0.09 0.00 0.00 57.88 58.36 2ctj h LEU 82 Cb 0.93 0.05 -0.14 0.00 0.09 0.00 0.00 40.66 41.58 2ctj h LEU 82 CO 0.20 0.06 0.85 0.00 0.09 0.00 0.00 178.44 179.64 2ctj h ALA 83 N 1.21 2.76 0.07 1.53 0.00 -0.82 0.26 119.26 124.27 2ctj h ALA 83 Ca 0.14 0.15 -0.28 0.00 0.00 0.00 0.00 54.91 54.92 2ctj h ALA 83 Cb 0.14 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2ctj h ALA 83 CO -0.17 -1.46 -1.50 0.93 0.00 0.00 0.00 179.25 177.05 2ctj h GLU 84 N 0.01 0.14 -0.78 0.00 4.39 -1.26 -3.35 114.58 113.73 2ctj h GLU 84 Ca 0.88 -0.25 0.18 0.00 0.34 0.00 0.00 59.36 60.52 2ctj h GLU 84 Cb 2.77 0.09 -0.13 0.00 -0.10 0.00 0.00 28.75 31.38 2ctj h GLU 84 CO -0.50 1.12 0.11 0.93 -1.16 0.00 0.00 179.01 179.51 2ctj h GLU 85 N -0.50 0.17 -0.68 2.33 4.39 0.75 0.43 114.58 121.48 2ctj h GLU 85 Ca -0.35 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.38 2ctj h GLU 85 Cb 1.64 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 30.21 2ctj h GLU 85 CO -0.05 0.11 0.45 0.87 -1.16 0.00 0.00 179.01 179.23 2ctj h LYS 86 N 0.18 0.73 -4.70 2.33 1.79 -1.20 -3.44 116.57 112.26 2ctj h LYS 86 Ca 0.45 -0.04 -0.62 0.00 -2.18 0.00 0.00 60.65 58.25 2ctj h LYS 86 Cb 0.81 -0.16 0.04 0.00 -1.58 0.00 0.00 32.23 31.34 2ctj h LYS 86 CO -0.62 0.48 0.06 1.04 -1.08 0.00 0.00 179.45 179.34 2ctj n GLN 87 N -4.47 0.00 -4.06 3.15 1.13 0.15 -4.94 117.38 108.34 2ctj n GLN 87 Ca 0.09 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.91 2ctj n GLN 87 Cb 0.18 -1.18 -0.06 0.00 0.11 0.00 0.00 30.24 29.28 2ctj n GLN 87 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2ctj s THR 88 N 0.08 2.30 0.03 5.09 -4.23 -1.26 -5.07 115.64 112.58 2ctj s THR 88 Ca 0.72 -1.65 -0.28 0.00 -1.18 0.00 0.00 61.69 59.30 2ctj s THR 88 Cb -1.00 -2.94 -0.17 0.00 1.34 0.00 0.00 72.50 69.73 2ctj s THR 88 CO 0.45 0.00 1.29 0.50 -0.54 0.00 0.00 174.62 176.33 2ctj h LYS 89 N 1.34 -0.72 -6.94 3.99 3.64 -2.00 -3.44 116.57 112.44 2ctj h LYS 89 Ca -0.42 0.05 -0.48 0.00 -1.27 0.00 0.00 60.65 58.53 2ctj h LYS 89 Cb 1.26 0.16 0.01 0.00 -0.41 0.00 0.00 32.23 33.25 2ctj h LYS 89 CO 0.68 -0.41 0.39 -1.54 -2.27 0.00 0.00 179.45 176.30 2ctj s SER 90 N -4.67 6.94 0.00 4.20 1.04 -1.26 -4.41 113.70 115.54 2ctj s SER 90 Ca -0.15 1.97 0.00 0.00 0.48 0.00 0.00 55.95 58.25 2ctj s SER 90 Cb 0.02 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2ctj s SER 90 CO 0.52 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.99 2ctj n GLY 91 N 0.36 3.02 0.00 7.32 0.00 -1.26 -4.91 105.19 109.71 2ctj n GLY 91 Ca 0.04 -0.52 0.07 0.00 0.00 0.00 0.00 46.02 45.61 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 0.48 -1.25 1.61 -0.04 -1.26 -4.84 135.00 129.70 2ctj n PRO 92 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 2ctj n PRO 92 Cb 0.00 -1.42 0.09 0.00 -0.04 0.00 0.00 33.50 32.13 2ctj n PRO 92 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ctj n SER 93 N -0.92 0.15 -2.99 3.54 2.88 -1.26 -4.86 113.62 110.16 2ctj n SER 93 Ca 0.10 0.62 -0.33 0.00 -1.33 0.00 0.00 58.87 57.93 2ctj n SER 93 Cb 0.05 -1.38 -0.04 0.00 -0.75 0.00 0.00 64.21 62.08 2ctj n SER 93 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2ctj n SER 94 N -1.75 7.34 -0.31 -3.46 7.64 -1.26 -5.22 113.62 116.60 2ctj n SER 94 Ca 0.12 -3.03 0.04 0.00 1.01 0.00 0.00 58.87 57.01 2ctj n SER 94 Cb 0.50 -1.35 0.03 0.00 -1.01 0.00 0.00 64.21 62.38 2ctj n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64