#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 -0.91 0.03 1.61 0.15 -1.26 -5.17 113.70 108.15 2ctj s SER 2 Ca 0.00 1.46 -0.29 0.00 0.70 0.00 0.00 55.95 57.82 2ctj s SER 2 Cb 0.00 1.37 0.10 0.00 -1.71 0.00 0.00 66.02 65.78 2ctj s SER 2 CO 0.00 -0.23 1.11 -0.44 1.20 0.00 0.00 173.24 174.87 2ctj s SER 3 N 1.69 -0.15 -0.12 5.45 0.01 -1.26 -5.17 113.70 114.15 2ctj s SER 3 Ca -0.10 -0.21 -0.05 0.00 1.31 0.00 0.00 55.95 56.91 2ctj s SER 3 Cb -0.06 0.31 0.06 0.00 0.21 0.00 0.00 66.02 66.54 2ctj s SER 3 CO -0.19 -0.56 0.26 -0.83 0.41 0.00 0.00 173.24 172.33 2ctj s GLY 4 N -2.81 -0.14 -1.16 3.44 0.00 -1.26 -5.08 107.32 100.31 2ctj s GLY 4 Ca 0.12 1.00 -0.15 0.00 0.00 0.00 0.00 44.72 45.68 2ctj s GLY 4 CO -0.02 1.65 1.39 -1.35 0.00 0.00 0.00 173.10 174.77 2ctj s SER 5 N 1.87 6.97 -0.19 1.64 1.04 -1.26 -4.99 113.70 118.79 2ctj s SER 5 Ca -0.04 -2.78 -0.19 0.00 0.48 0.00 0.00 55.95 53.42 2ctj s SER 5 Cb -0.11 -2.41 -0.03 0.00 0.10 0.00 0.00 66.02 63.57 2ctj s SER 5 CO -0.09 -0.83 0.54 -0.55 0.98 0.00 0.00 173.24 173.29 2ctj s SER 6 N 3.06 6.61 -0.13 7.02 0.15 -1.26 -5.05 113.70 124.10 2ctj s SER 6 Ca 0.41 0.73 -0.06 0.00 0.70 0.00 0.00 55.95 57.74 2ctj s SER 6 Cb -0.03 -2.31 0.06 0.00 -1.71 0.00 0.00 66.02 62.03 2ctj s SER 6 CO -0.01 -0.18 0.28 -0.83 1.20 0.00 0.00 173.24 173.69 2ctj s GLY 7 N 1.11 -0.16 -0.48 9.45 0.00 -1.26 -5.11 107.32 110.86 2ctj s GLY 7 Ca 0.25 1.06 -0.11 0.00 0.00 0.00 0.00 44.72 45.92 2ctj s GLY 7 CO 0.10 1.63 0.37 -1.35 0.00 0.00 0.00 173.10 173.85 2ctj s SER 8 N 1.79 5.83 0.41 1.64 1.04 -1.26 -4.92 113.70 118.23 2ctj s SER 8 Ca -0.05 -1.78 0.21 0.00 0.48 0.00 0.00 55.95 54.81 2ctj s SER 8 Cb -0.11 -2.06 0.82 0.00 0.10 0.00 0.00 66.02 64.77 2ctj s SER 8 CO -0.09 -0.70 1.79 0.16 0.98 0.00 0.00 173.24 175.38 2ctj h ILE 9 N 6.05 0.72 -2.31 -1.02 -2.65 -2.05 -3.44 117.51 112.82 2ctj h ILE 9 Ca -0.24 -1.29 -0.06 0.00 1.03 0.00 0.00 64.86 64.31 2ctj h ILE 9 Cb 1.08 1.82 -0.23 0.00 -2.05 0.00 0.00 36.82 37.45 2ctj h ILE 9 CO 0.89 0.29 -0.07 -1.10 0.03 0.00 0.00 178.15 178.18 2ctj s GLN 10 N -3.66 0.63 0.28 0.16 -0.21 -1.26 -5.17 119.66 110.42 2ctj s GLN 10 Ca 0.00 0.92 -0.07 0.00 0.02 0.00 0.00 55.36 56.23 2ctj s GLN 10 Cb 0.11 0.20 -0.06 0.00 1.00 0.00 0.00 33.01 34.26 2ctj s GLN 10 CO 0.66 -0.12 0.57 0.21 -2.12 0.00 0.00 175.29 174.49 2ctj s LYS 11 N 0.90 3.70 -0.03 2.91 2.47 -1.26 -5.09 119.74 123.33 2ctj s LYS 11 Ca -0.05 0.14 -0.29 0.00 -1.56 0.00 0.00 55.97 54.21 2ctj s LYS 11 Cb -0.05 -2.63 0.10 0.00 -1.46 0.00 0.00 37.83 33.79 2ctj s LYS 11 CO -0.08 0.23 0.88 0.16 0.16 0.00 0.00 175.35 176.70 2ctj s ASP 12 N -2.88 -0.40 -0.07 1.43 1.47 -1.26 -5.06 116.67 109.91 2ctj s ASP 12 Ca 0.46 0.14 0.18 0.00 1.18 0.00 0.00 52.55 54.50 2ctj s ASP 12 Cb -0.11 0.39 0.36 0.00 -0.34 0.00 0.00 42.92 43.22 2ctj s ASP 12 CO 0.27 -0.58 1.16 0.18 0.68 0.00 0.00 175.17 176.88 2ctj n LEU 13 N 0.04 1.47 -3.86 2.11 4.77 -1.26 -5.04 117.00 115.23 2ctj n LEU 13 Ca -0.10 -2.51 -0.22 0.00 -0.03 0.00 0.00 56.01 53.15 2ctj n LEU 13 Cb 0.61 -0.18 -0.17 0.00 -2.33 0.00 0.00 43.42 41.34 2ctj n LEU 13 CO 0.13 0.75 -0.41 0.00 -1.33 0.00 0.00 177.39 176.53 2ctj s ALA 14 N -1.15 0.79 0.12 -1.18 0.00 -1.26 -5.04 121.76 114.04 2ctj s ALA 14 Ca 0.31 -0.15 -0.20 0.00 0.00 0.00 0.00 51.96 51.91 2ctj s ALA 14 Cb 0.33 -0.59 -0.07 0.00 0.00 0.00 0.00 23.12 22.78 2ctj s ALA 14 CO -0.10 -0.20 1.77 -2.95 0.00 0.00 0.00 175.76 174.27 2ctj h ASN 15 N 7.65 0.16 -0.77 0.00 7.08 -2.00 -3.44 115.58 124.26 2ctj h ASN 15 Ca -0.31 0.00 -0.47 0.00 -3.08 0.00 0.00 56.30 52.45 2ctj h ASN 15 Cb 1.14 -0.03 0.08 0.00 -2.08 0.00 0.00 38.32 37.43 2ctj h ASN 15 CO 0.40 0.12 -0.41 -0.38 -2.08 0.00 0.00 177.43 175.08 2ctj n ILE 16 N -4.99 1.29 -3.84 6.14 2.08 -1.26 -4.86 119.36 113.91 2ctj n ILE 16 Ca -0.04 -0.35 -0.36 0.00 0.56 0.00 0.00 62.75 62.56 2ctj n ILE 16 Cb 0.04 0.00 -0.13 0.00 -0.75 0.00 0.00 39.64 38.80 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 -0.77 2.91 -0.39 -1.39 0.00 0.37 -4.93 121.76 117.56 2ctj s ALA 17 Ca 0.45 -1.75 -0.27 0.00 0.00 0.00 0.00 51.96 50.39 2ctj s ALA 17 Cb -0.63 -2.08 0.02 0.00 0.00 0.00 0.00 23.12 20.43 2ctj s ALA 17 CO 0.40 -1.30 0.98 -2.00 0.00 0.00 0.00 175.76 173.84 2ctj s GLU 18 N 1.32 3.80 -0.22 0.00 -6.30 -1.26 -3.78 118.70 112.26 2ctj s GLU 18 Ca -0.04 0.57 -0.02 0.00 -2.50 0.00 0.00 54.97 52.99 2ctj s GLU 18 Cb -0.20 -3.83 0.06 0.00 0.00 0.00 0.00 34.13 30.17 2ctj s GLU 18 CO 0.01 -1.05 0.02 0.08 0.02 0.00 0.00 175.26 174.33 2ctj s VAL 19 N 3.70 0.86 -0.04 3.70 1.01 -0.69 -4.99 120.40 123.94 2ctj s VAL 19 Ca 0.40 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 2ctj s VAL 19 Cb -0.11 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 2ctj s VAL 19 CO 0.22 -0.23 0.08 -1.83 0.00 0.00 0.00 175.10 173.33 2ctj s GLU 20 N 1.70 3.12 0.23 2.72 -1.05 -1.26 -1.49 118.70 122.66 2ctj s GLU 20 Ca -0.01 -0.41 0.09 0.00 -0.15 0.00 0.00 54.97 54.49 2ctj s GLU 20 Cb -0.18 -2.91 -0.05 0.00 -0.44 0.00 0.00 34.13 30.56 2ctj s GLU 20 CO -0.09 0.68 -0.15 0.54 0.95 0.00 0.00 175.26 177.18 2ctj s VAL 21 N -1.11 1.91 -0.48 1.83 0.11 0.25 -4.92 120.40 117.98 2ctj s VAL 21 Ca 0.20 -2.26 -0.22 0.00 -2.93 0.00 0.00 61.98 56.77 2ctj s VAL 21 Cb -0.12 -2.12 0.04 0.00 -1.53 0.00 0.00 36.38 32.65 2ctj s VAL 21 CO 0.10 -0.54 0.75 -0.55 -3.33 0.00 0.00 175.10 171.53 2ctj s SER 22 N -3.37 6.33 -0.04 3.54 0.15 -1.26 -0.18 113.70 118.87 2ctj s SER 22 Ca 0.25 -0.41 0.04 0.00 0.70 0.00 0.00 55.95 56.53 2ctj s SER 22 Cb -0.02 -2.36 -0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2ctj s SER 22 CO 0.09 -0.95 -0.17 -0.63 1.20 0.00 0.00 173.24 172.78 2ctj s ILE 23 N 3.17 1.43 0.15 6.45 -1.09 0.65 -4.98 121.20 126.97 2ctj s ILE 23 Ca 0.25 -0.72 -0.31 0.00 -2.23 0.00 0.00 60.65 57.64 2ctj s ILE 23 Cb -0.14 -1.23 -0.08 0.00 -1.58 0.00 0.00 42.46 39.43 2ctj s ILE 23 CO 0.18 0.41 1.34 -2.16 -1.23 0.00 0.00 174.94 173.48 2ctj s PRO 24 N 0.02 4.36 0.20 2.79 0.04 -1.26 -4.17 135.00 136.98 2ctj s PRO 24 Ca -0.03 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 62.93 2ctj s PRO 24 Cb -0.11 -3.23 0.23 0.00 0.04 0.00 0.00 34.50 31.42 2ctj s PRO 24 CO 0.02 -0.34 1.74 0.00 0.04 0.00 0.00 177.00 178.46 2ctj h ALA 25 N 6.19 0.68 -1.17 8.56 0.00 -1.93 -0.22 119.26 131.38 2ctj h ALA 25 Ca -0.43 0.08 0.33 0.00 0.00 0.00 0.00 54.91 54.89 2ctj h ALA 25 Cb 1.21 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 19.00 2ctj h ALA 25 CO 0.82 -0.23 0.80 1.57 0.00 0.00 0.00 179.25 182.21 2ctj h LYS 26 N 0.35 0.16 0.17 0.00 2.10 -1.96 0.21 116.57 117.59 2ctj h LYS 26 Ca 0.28 -0.01 -0.34 0.00 -2.00 0.00 0.00 60.65 58.58 2ctj h LYS 26 Cb 0.34 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 2ctj h LYS 26 CO -0.30 0.11 -1.67 -0.07 -2.00 0.00 0.00 179.45 175.52 2ctj h LEU 27 N 0.17 0.55 -0.38 7.07 3.38 -1.47 -3.39 115.31 121.24 2ctj h LEU 27 Ca 0.62 -0.79 0.03 0.00 0.09 0.00 0.00 57.88 57.83 2ctj h LEU 27 Cb 2.05 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 42.58 2ctj h LEU 27 CO -0.17 1.67 -0.22 1.41 0.09 0.00 0.00 178.44 181.22 2ctj n HIS 28 N -3.54 -0.17 -0.34 1.13 8.25 0.72 -0.40 115.22 120.87 2ctj n HIS 28 Ca -0.22 0.47 -0.11 0.00 -0.26 0.00 0.00 57.72 57.61 2ctj n HIS 28 Cb 1.07 -0.47 -0.08 0.00 1.12 0.00 0.00 29.99 31.62 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 -2.00 0.10 0.41 4.21 -1.74 0.22 115.58 116.79 2ctj h ASN 29 Ca 0.06 0.30 0.01 0.00 1.21 0.00 0.00 56.30 57.88 2ctj h ASN 29 Cb 0.16 0.88 -0.04 0.00 -1.12 0.00 0.00 38.32 38.20 2ctj h ASN 29 CO -0.36 -0.28 -0.43 0.28 -1.29 0.00 0.00 177.43 175.36 2ctj h SER 30 N -0.10 -1.28 -0.47 5.81 0.02 -0.93 -0.55 113.55 116.05 2ctj h SER 30 Ca 0.16 0.13 0.07 0.00 -0.84 0.00 0.00 61.79 61.31 2ctj h SER 30 Cb 0.48 0.47 -0.09 0.00 0.14 0.00 0.00 62.40 63.40 2ctj h SER 30 CO -0.85 -0.45 -0.47 -0.07 -1.14 0.00 0.00 176.83 173.84 2ctj h LEU 31 N -0.61 -1.59 -1.12 5.07 3.38 -0.03 0.19 115.31 120.60 2ctj h LEU 31 Ca -0.01 0.24 0.23 0.00 0.09 0.00 0.00 57.88 58.43 2ctj h LEU 31 Cb 0.61 0.69 -0.11 0.00 0.09 0.00 0.00 40.66 41.94 2ctj h LEU 31 CO -0.23 -0.37 0.62 0.40 0.09 0.00 0.00 178.44 178.95 2ctj h ILE 32 N -0.31 0.60 0.00 1.22 2.04 -0.31 -3.35 117.51 117.39 2ctj h ILE 32 Ca 0.13 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2ctj h ILE 32 Cb 0.58 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2ctj h ILE 32 CO -0.62 0.11 0.00 0.61 0.00 0.00 0.00 178.15 178.25 2ctj n GLY 33 N -1.37 -1.59 0.11 5.37 0.00 0.66 -2.73 105.19 105.66 2ctj n GLY 33 Ca 0.25 -1.77 -0.16 0.00 0.00 0.00 0.00 46.02 44.34 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 0.74 -0.41 2.61 1.03 -1.86 -3.39 112.91 111.62 2ctj h THR 34 Ca 0.00 -2.51 -0.31 0.00 -0.01 0.00 0.00 66.41 63.58 2ctj h THR 34 Cb 0.00 2.49 -0.31 0.00 -1.07 0.00 0.00 68.15 69.25 2ctj h THR 34 CO 0.00 0.73 -0.83 0.29 -0.01 0.00 0.00 175.52 175.70 2ctj n LYS 35 N -3.30 2.32 -1.45 0.00 5.02 -1.26 -4.94 118.16 114.53 2ctj n LYS 35 Ca -0.25 -3.57 -0.12 0.00 -2.02 0.00 0.00 58.31 52.35 2ctj n LYS 35 Cb 1.05 -1.72 -0.05 0.00 -0.02 0.00 0.00 35.03 34.30 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 -0.65 1.00 0.15 0.72 0.00 -1.10 -4.82 105.19 100.49 2ctj n GLY 36 Ca 0.26 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.19 2ctj n GLY 36 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2ctj h ARG 37 N 0.00 -0.27 -1.47 1.61 3.08 -1.90 0.80 114.38 116.22 2ctj h ARG 37 Ca -0.25 0.02 0.47 0.00 0.07 0.00 0.00 59.98 60.28 2ctj h ARG 37 Cb 0.83 0.06 -0.11 0.00 0.08 0.00 0.00 29.97 30.83 2ctj h ARG 37 CO 0.36 0.04 0.99 -0.07 -1.07 0.00 0.00 179.97 180.22 2ctj h LEU 38 N -0.98 0.17 0.07 3.04 4.07 -1.79 0.34 115.31 120.22 2ctj h LEU 38 Ca -0.03 0.10 -0.30 0.00 0.08 0.00 0.00 57.88 57.73 2ctj h LEU 38 Cb 0.43 0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.24 2ctj h LEU 38 CO 0.05 -0.14 -1.60 0.40 -1.08 0.00 0.00 178.44 176.07 2ctj h ILE 39 N 0.05 0.80 -0.12 1.22 1.08 -1.65 -3.34 117.51 115.56 2ctj h ILE 39 Ca 0.84 -2.27 0.04 0.00 -0.39 0.00 0.00 64.86 63.08 2ctj h ILE 39 Cb 2.87 2.40 -0.05 0.00 -3.07 0.00 0.00 36.82 38.97 2ctj h ILE 39 CO -0.30 0.61 -0.17 0.03 -0.69 0.00 0.00 178.15 177.63 2ctj h ARG 40 N -0.46 -0.21 -0.15 2.37 3.08 0.19 -2.67 114.38 116.55 2ctj h ARG 40 Ca -0.38 0.01 0.04 0.00 0.07 0.00 0.00 59.98 59.73 2ctj h ARG 40 Cb 1.68 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 31.71 2ctj h ARG 40 CO -0.05 -0.14 -0.44 1.03 -1.07 0.00 0.00 179.97 179.30 2ctj h SER 41 N -0.21 -1.40 -1.02 7.04 0.87 -0.70 -0.02 113.55 118.10 2ctj h SER 41 Ca 0.09 0.18 0.32 0.00 -1.23 0.00 0.00 61.79 61.15 2ctj h SER 41 Cb 0.35 0.57 -0.14 0.00 -0.44 0.00 0.00 62.40 62.73 2ctj h SER 41 CO -0.24 -0.44 0.60 0.40 -0.53 0.00 0.00 176.83 176.62 2ctj h ILE 42 N -0.50 0.32 -0.66 2.23 2.04 -1.61 0.67 117.51 120.00 2ctj h ILE 42 Ca 0.07 -0.12 -0.09 0.00 1.00 0.00 0.00 64.86 65.73 2ctj h ILE 42 Cb 0.64 -0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 2ctj h ILE 42 CO -0.42 0.06 0.08 0.24 0.00 0.00 0.00 178.15 178.11 2ctj h MET 43 N 0.34 1.11 0.39 2.37 2.86 -0.69 -1.89 114.93 119.40 2ctj h MET 43 Ca 0.73 -0.31 -0.02 0.00 -2.06 0.00 0.00 59.70 58.03 2ctj h MET 43 Cb 1.69 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 33.23 2ctj h MET 43 CO -0.57 1.03 -0.19 1.49 1.06 0.00 0.00 176.91 179.74 2ctj h GLU 44 N 1.03 -0.50 -0.92 1.72 4.81 0.96 0.21 114.58 121.88 2ctj h GLU 44 Ca 0.20 0.03 0.25 0.00 -0.13 0.00 0.00 59.36 59.71 2ctj h GLU 44 Cb 0.48 0.11 -0.14 0.00 0.63 0.00 0.00 28.75 29.84 2ctj h GLU 44 CO 0.02 -0.33 0.39 1.05 -0.73 0.00 0.00 179.01 179.41 2ctj h GLU 45 N -0.93 0.31 0.83 1.92 -0.00 -1.02 -1.70 114.58 113.99 2ctj h GLU 45 Ca -0.05 -0.02 -0.04 0.00 -0.00 0.00 0.00 59.36 59.25 2ctj h GLU 45 Cb 0.40 -0.07 0.01 0.00 -0.00 0.00 0.00 28.75 29.09 2ctj h GLU 45 CO 0.09 0.20 -0.40 0.00 -0.00 0.00 0.00 179.01 178.90 2ctj n GLY 47 N -1.25 0.25 0.00 0.00 0.00 -0.64 -4.89 105.19 98.67 2ctj n GLY 47 Ca -0.14 -0.02 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 0.00 3.86 -0.02 0.00 0.68 -4.88 105.19 104.83 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 0.00 4.53 -0.25 1.61 -7.23 -1.21 -4.96 120.40 112.89 2ctj s VAL 49 Ca 0.00 0.86 0.02 0.00 -1.81 0.00 0.00 61.98 61.05 2ctj s VAL 49 Cb 0.00 -3.75 0.05 0.00 0.56 0.00 0.00 36.38 33.25 2ctj s VAL 49 CO 0.00 -1.04 -0.12 -1.00 -0.31 0.00 0.00 175.10 172.63 2ctj s HIS 50 N -3.10 3.19 0.05 2.82 0.09 -0.32 -4.75 115.29 113.28 2ctj s HIS 50 Ca 0.56 -2.20 -0.19 0.00 -0.00 0.00 0.00 55.06 53.23 2ctj s HIS 50 Cb -0.12 -1.94 -0.06 0.00 -0.00 0.00 0.00 32.58 30.46 2ctj s HIS 50 CO 0.52 -0.86 0.56 0.42 -0.00 0.00 0.00 174.74 175.38 2ctj s ILE 51 N 1.14 4.80 -0.26 0.60 1.01 -1.26 -1.62 121.20 125.61 2ctj s ILE 51 Ca -0.07 1.18 -0.06 0.00 0.00 0.00 0.00 60.65 61.71 2ctj s ILE 51 Cb -0.19 -3.89 -0.01 0.00 0.01 0.00 0.00 42.46 38.39 2ctj s ILE 51 CO -0.06 0.53 0.04 -1.00 0.00 0.00 0.00 174.94 174.46 2ctj s HIS 52 N -0.94 3.08 -0.25 3.97 3.76 0.22 -5.00 115.29 120.12 2ctj s HIS 52 Ca 0.29 -0.78 -0.00 0.00 -0.15 0.00 0.00 55.06 54.41 2ctj s HIS 52 Cb -0.19 -2.21 0.04 0.00 1.11 0.00 0.00 32.58 31.33 2ctj s HIS 52 CO 0.18 -0.50 -0.08 -0.06 -0.85 0.00 0.00 174.74 173.44 2ctj s PHE 53 N 1.53 3.12 0.52 1.40 0.08 -1.26 -3.07 117.98 120.31 2ctj s PHE 53 Ca 0.05 -1.83 -0.20 0.00 0.12 0.00 0.00 56.93 55.06 2ctj s PHE 53 Cb -0.16 -2.02 -0.06 0.00 -0.57 0.00 0.00 43.02 40.21 2ctj s PHE 53 CO 0.01 -0.79 1.14 -1.25 -0.10 0.00 0.00 175.22 174.23 2ctj s PRO 54 N 1.25 3.46 0.40 0.24 0.04 -1.26 -4.97 135.00 134.16 2ctj s PRO 54 Ca -0.03 1.66 -0.26 0.00 0.04 0.00 0.00 61.00 62.42 2ctj s PRO 54 Cb -0.18 -2.11 -0.10 0.00 0.04 0.00 0.00 34.50 32.14 2ctj s PRO 54 CO -0.05 -0.77 1.20 0.28 0.04 0.00 0.00 177.00 177.70 2ctj n VAL 55 N -1.08 2.44 -0.10 -0.36 0.31 -1.26 -4.86 118.33 113.42 2ctj n VAL 55 Ca 0.10 -0.50 -0.01 0.00 -0.01 0.00 0.00 64.34 63.92 2ctj n VAL 55 Cb 0.50 -1.44 0.24 0.00 -0.91 0.00 0.00 33.84 32.23 2ctj n VAL 55 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 2ctj h GLU 56 N 2.00 0.75 0.05 5.55 4.11 -1.93 -3.05 114.58 122.07 2ctj h GLU 56 Ca -0.46 -0.13 0.02 0.00 0.07 0.00 0.00 59.36 58.85 2ctj h GLU 56 Cb 1.31 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 2ctj h GLU 56 CO 0.59 0.66 -0.21 0.78 0.07 0.00 0.00 179.01 180.91 2ctj h GLY 57 N 0.91 -0.33 -0.15 1.06 0.00 -1.99 -2.49 103.07 100.08 2ctj h GLY 57 Ca 0.17 0.24 0.17 0.00 0.00 0.00 0.00 47.33 47.91 2ctj h GLY 57 CO -0.01 -0.19 0.16 0.23 0.00 0.00 0.00 176.54 176.74 2ctj h SER 58 N -0.36 -0.04 -0.10 0.19 0.87 -1.91 -3.46 113.55 108.74 2ctj h SER 58 Ca 0.04 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2ctj h SER 58 Cb 0.41 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 2ctj h SER 58 CO -0.16 -0.07 0.00 0.61 -0.53 0.00 0.00 176.83 176.68 2ctj n GLY 59 N -1.36 1.34 3.55 5.77 0.00 -0.94 -5.08 105.19 108.47 2ctj n GLY 59 Ca 0.15 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.26 5.85 -0.63 1.61 0.15 -1.26 -4.97 113.70 112.19 2ctj s SER 60 Ca 0.00 -0.15 -0.01 0.00 0.70 0.00 0.00 55.95 56.50 2ctj s SER 60 Cb 0.00 -2.08 0.47 0.00 -1.71 0.00 0.00 66.02 62.70 2ctj s SER 60 CO 0.00 -0.09 1.98 -0.90 1.20 0.00 0.00 173.24 175.43 2ctj n ASP 61 N 5.04 7.20 -4.16 5.45 5.75 -1.26 -4.65 116.55 129.91 2ctj n ASP 61 Ca -0.14 -3.77 -0.34 0.00 -0.01 0.00 0.00 54.79 50.52 2ctj n ASP 61 Cb 0.51 -0.93 -0.14 0.00 -1.03 0.00 0.00 41.12 39.53 2ctj n ASP 61 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2ctj s THR 62 N -4.68 2.80 -0.50 2.12 2.01 -1.26 -0.26 115.64 115.87 2ctj s THR 62 Ca 0.63 -1.31 -0.14 0.00 0.31 0.00 0.00 61.69 61.19 2ctj s THR 62 Cb 0.50 -2.55 0.11 0.00 0.01 0.00 0.00 72.50 70.58 2ctj s THR 62 CO 0.00 0.01 0.43 -0.69 -0.69 0.00 0.00 174.62 173.68 2ctj s VAL 63 N 1.25 4.92 -0.23 3.82 1.01 0.75 -4.53 120.40 127.39 2ctj s VAL 63 Ca -0.04 -1.46 -0.21 0.00 0.00 0.00 0.00 61.98 60.27 2ctj s VAL 63 Cb -0.19 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 2ctj s VAL 63 CO -0.03 -0.76 0.66 -0.69 0.00 0.00 0.00 175.10 174.28 2ctj s VAL 64 N 1.54 4.98 -0.13 2.92 1.01 -1.17 -0.59 120.40 128.96 2ctj s VAL 64 Ca 0.04 1.23 -0.03 0.00 0.00 0.00 0.00 61.98 63.22 2ctj s VAL 64 Cb -0.27 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 2ctj s VAL 64 CO 0.03 0.05 -0.03 -0.63 0.00 0.00 0.00 175.10 174.52 2ctj s ILE 65 N 2.28 3.97 0.00 2.22 1.01 -0.56 -0.61 121.20 129.52 2ctj s ILE 65 Ca 0.29 -0.35 0.07 0.00 0.00 0.00 0.00 60.65 60.66 2ctj s ILE 65 Cb -0.16 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.58 2ctj s ILE 65 CO 0.09 0.53 -0.21 -0.13 0.00 0.00 0.00 174.94 175.22 2ctj s ARG 66 N -0.07 2.13 0.00 2.79 0.52 -0.64 -1.70 118.95 121.97 2ctj s ARG 66 Ca 0.02 -0.93 0.00 0.00 -0.52 0.00 0.00 55.73 54.30 2ctj s ARG 66 Cb -0.13 -2.15 0.00 0.00 0.52 0.00 0.00 34.95 33.19 2ctj s ARG 66 CO 0.02 0.56 0.00 0.41 0.02 0.00 0.00 175.30 176.31 2ctj n GLY 67 N 2.03 0.55 3.62 -3.53 0.00 -1.25 -1.17 105.19 105.44 2ctj n GLY 67 Ca -0.16 -1.78 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 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 -2.00 3.71 0.14 1.61 0.04 -1.26 -0.48 135.00 136.77 2ctj s PRO 68 Ca 0.00 1.58 -0.23 0.00 0.04 0.00 0.00 61.00 62.38 2ctj s PRO 68 Cb 0.00 -4.06 -0.01 0.00 0.04 0.00 0.00 34.50 30.47 2ctj s PRO 68 CO 0.00 -1.39 1.27 -1.13 0.04 0.00 0.00 177.00 175.79 2ctj n SER 69 N 8.73 -0.81 -0.23 6.66 3.41 -1.26 0.83 113.62 130.95 2ctj n SER 69 Ca 0.19 1.46 0.15 0.00 -0.26 0.00 0.00 58.87 60.41 2ctj n SER 69 Cb 0.46 -0.22 0.28 0.00 -0.26 0.00 0.00 64.21 64.47 2ctj n SER 69 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2ctj n SER 70 N -5.07 0.04 -0.02 4.04 7.64 -1.26 0.56 113.62 119.55 2ctj n SER 70 Ca 0.03 1.16 -0.21 0.00 1.01 0.00 0.00 58.87 60.87 2ctj n SER 70 Cb 0.24 -0.48 -0.13 0.00 -1.01 0.00 0.00 64.21 62.83 2ctj n SER 70 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2ctj h ASP 71 N 0.00 0.27 -0.70 6.43 3.32 0.09 -3.37 116.42 122.46 2ctj h ASP 71 Ca 0.48 -0.81 0.15 0.00 0.02 0.00 0.00 57.03 56.88 2ctj h ASP 71 Cb 1.12 -0.09 -0.12 0.00 0.22 0.00 0.00 39.33 40.46 2ctj h ASP 71 CO -0.61 1.53 -0.04 0.58 -1.72 0.00 0.00 179.24 178.98 2ctj h VAL 72 N -0.51 0.37 -0.65 -1.35 2.07 0.27 0.63 116.25 117.09 2ctj h VAL 72 Ca -0.28 -0.03 0.19 0.00 0.82 0.00 0.00 66.70 67.40 2ctj h VAL 72 Cb 1.59 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 2ctj h VAL 72 CO 0.00 0.01 0.49 1.05 0.02 0.00 0.00 177.57 179.14 2ctj h GLU 73 N 0.08 0.00 0.15 1.57 4.11 -0.75 0.17 114.58 119.91 2ctj h GLU 73 Ca 0.37 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.48 2ctj h GLU 73 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2ctj h GLU 73 CO -0.64 0.00 -1.55 0.87 0.07 0.00 0.00 179.01 177.76 2ctj h LYS 74 N 0.00 0.31 -0.30 1.06 1.57 0.03 -3.01 116.57 116.23 2ctj h LYS 74 Ca 0.31 -0.53 -0.11 0.00 -1.87 0.00 0.00 60.65 58.44 2ctj h LYS 74 Cb 1.28 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.77 2ctj h LYS 74 CO -0.00 1.20 -0.29 0.00 -0.57 0.00 0.00 179.45 179.79 2ctj h ALA 75 N 0.38 0.95 0.13 3.86 0.00 0.71 -2.17 119.26 123.12 2ctj h ALA 75 Ca -0.26 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 2ctj h ALA 75 Cb 2.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.71 2ctj h ALA 75 CO 0.18 0.61 -0.06 -0.22 0.00 0.00 0.00 179.25 179.76 2ctj h LYS 76 N 0.52 -0.17 -0.28 0.00 3.64 -0.88 -2.44 116.57 116.97 2ctj h LYS 76 Ca 0.07 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.54 2ctj h LYS 76 Cb 0.76 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 2ctj h LYS 76 CO 0.06 0.27 0.20 1.57 -2.27 0.00 0.00 179.45 179.28 2ctj h LYS 77 N -0.70 0.00 -0.19 1.90 2.10 -1.55 -1.14 116.57 116.98 2ctj h LYS 77 Ca -0.02 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.45 2ctj h LYS 77 Cb 0.52 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.85 2ctj h LYS 77 CO 0.03 0.00 -0.61 1.96 -2.00 0.00 0.00 179.45 178.83 2ctj h GLN 78 N 0.00 0.75 -0.39 0.07 4.20 -1.34 -2.93 115.11 115.47 2ctj h GLN 78 Ca 0.13 -0.55 -0.08 0.00 0.06 0.00 0.00 58.65 58.21 2ctj h GLN 78 Cb 0.53 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 2ctj h GLN 78 CO -0.00 1.17 -0.09 1.25 -0.67 0.00 0.00 178.83 180.49 2ctj h LEU 79 N 0.48 0.67 -0.54 1.46 5.85 -0.73 -2.20 115.31 120.29 2ctj h LEU 79 Ca -0.02 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 2ctj h LEU 79 Cb 1.23 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 2ctj h LEU 79 CO 0.13 0.80 0.21 -0.07 -0.34 0.00 0.00 178.44 179.16 2ctj h LEU 80 N 0.63 0.75 0.70 2.25 4.07 -1.32 0.24 115.31 122.62 2ctj h LEU 80 Ca 0.11 -0.18 -0.03 0.00 0.08 0.00 0.00 57.88 57.86 2ctj h LEU 80 Cb 0.53 -0.19 0.01 0.00 1.08 0.00 0.00 40.66 42.08 2ctj h LEU 80 CO 0.03 0.72 -0.34 -0.74 -1.08 0.00 0.00 178.44 177.04 2ctj h HIS 81 N 0.73 -0.88 0.12 1.13 2.76 -1.32 -3.16 115.15 114.53 2ctj h HIS 81 Ca 0.18 -0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.34 2ctj h HIS 81 Cb 0.21 0.29 -0.02 0.00 1.55 0.00 0.00 27.41 29.44 2ctj h HIS 81 CO 0.01 -0.52 -0.17 -0.07 -1.30 0.00 0.00 177.93 175.87 2ctj h LEU 82 N -1.18 -0.48 -0.69 0.26 3.38 -1.42 0.26 115.31 115.44 2ctj h LEU 82 Ca -0.10 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.02 2ctj h LEU 82 Cb 0.75 0.18 -0.10 0.00 0.09 0.00 0.00 40.66 41.57 2ctj h LEU 82 CO 0.16 -0.25 -0.32 0.00 0.09 0.00 0.00 178.44 178.12 2ctj n ALA 83 N -2.44 -0.21 0.06 1.53 0.00 0.82 -0.20 120.51 120.08 2ctj n ALA 83 Ca -0.07 0.66 -0.21 0.00 0.00 0.00 0.00 53.44 53.82 2ctj n ALA 83 Cb 0.22 -0.24 -0.14 0.00 0.00 0.00 0.00 19.45 19.29 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 0.42 -0.52 0.00 4.39 -1.48 -3.37 114.58 114.02 2ctj h GLU 84 Ca 0.20 -0.62 0.05 0.00 0.34 0.00 0.00 59.36 59.33 2ctj h GLU 84 Cb 0.37 0.22 -0.06 0.00 -0.10 0.00 0.00 28.75 29.18 2ctj h GLU 84 CO -0.68 1.27 -0.31 -1.91 -1.16 0.00 0.00 179.01 176.23 2ctj n GLU 85 N -4.03 -0.23 -0.36 2.33 0.00 0.91 0.73 120.64 120.00 2ctj n GLU 85 Ca -0.14 1.01 0.05 0.00 0.00 0.00 0.00 57.16 58.08 2ctj n GLU 85 Cb 0.86 -1.49 0.12 0.00 0.00 0.00 0.00 31.44 30.94 2ctj n GLU 85 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2ctj n LYS 86 N -4.27 -0.11 -0.73 5.31 4.76 -0.75 -4.49 118.16 117.88 2ctj n LYS 86 Ca 0.01 1.53 -0.32 0.00 -2.87 0.00 0.00 58.31 56.66 2ctj n LYS 86 Cb 0.13 -2.29 0.15 0.00 -1.84 0.00 0.00 35.03 31.19 2ctj n LYS 86 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2ctj n GLN 87 N -5.58 -0.69 0.16 1.97 6.02 0.23 -4.91 117.38 114.58 2ctj n GLN 87 Ca 0.15 -0.16 0.06 0.00 -0.01 0.00 0.00 57.00 57.04 2ctj n GLN 87 Cb 0.48 -1.93 0.07 0.00 1.02 0.00 0.00 30.24 29.88 2ctj n GLN 87 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ctj h THR 88 N -1.78 0.51 -3.42 5.09 1.03 -1.81 -3.46 112.91 109.07 2ctj h THR 88 Ca -0.46 -1.73 -0.66 0.00 -0.01 0.00 0.00 66.41 63.55 2ctj h THR 88 Cb 1.30 2.22 -0.19 0.00 -1.07 0.00 0.00 68.15 70.41 2ctj h THR 88 CO 0.37 0.29 -0.81 -0.75 -0.01 0.00 0.00 175.52 174.60 2ctj s LYS 89 N -3.06 1.63 -0.18 0.00 2.20 -1.26 -5.07 119.74 114.00 2ctj s LYS 89 Ca 0.05 -1.38 -0.16 0.00 -0.36 0.00 0.00 55.97 54.11 2ctj s LYS 89 Cb 0.07 -1.96 -0.06 0.00 -1.51 0.00 0.00 37.83 34.37 2ctj s LYS 89 CO 0.72 0.43 -0.31 0.43 -0.36 0.00 0.00 175.35 176.26 2ctj n SER 90 N 0.47 1.91 0.00 1.43 7.64 -1.26 -4.82 113.62 118.99 2ctj n SER 90 Ca -0.14 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.13 2ctj n SER 90 Cb 0.55 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 2ctj n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ctj n GLY 91 N 1.48 3.32 0.00 0.23 0.00 -1.26 -4.96 105.19 104.00 2ctj n GLY 91 Ca -0.14 -0.60 0.08 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.93 0.44 -2.72 1.61 -0.04 -1.26 -4.76 135.00 127.33 2ctj n PRO 92 Ca 0.00 0.03 -0.40 0.00 -0.04 0.00 0.00 63.50 63.08 2ctj n PRO 92 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2ctj n PRO 92 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ctj s SER 93 N -2.10 7.60 -1.35 3.54 0.15 -1.26 -3.70 113.70 116.58 2ctj s SER 93 Ca 0.22 1.96 -0.06 0.00 0.70 0.00 0.00 55.95 58.76 2ctj s SER 93 Cb 0.11 -2.61 0.02 0.00 -1.71 0.00 0.00 66.02 61.83 2ctj s SER 93 CO 0.19 0.10 1.02 -1.20 1.20 0.00 0.00 173.24 174.55 2ctj n SER 94 N 1.65 -4.16 0.00 5.45 7.64 -1.26 -5.14 113.62 117.79 2ctj n SER 94 Ca -0.01 -0.66 0.00 0.00 1.01 0.00 0.00 58.87 59.21 2ctj n SER 94 Cb 0.47 -4.65 0.00 0.00 -1.01 0.00 0.00 64.21 59.02 2ctj n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64