#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 -0.35 -0.18 1.61 1.04 -1.26 -5.08 113.70 109.49 2ctj s SER 2 Ca 0.00 -0.37 -0.19 0.00 0.48 0.00 0.00 55.95 55.87 2ctj s SER 2 Cb 0.00 0.62 -0.22 0.00 0.10 0.00 0.00 66.02 66.52 2ctj s SER 2 CO 0.00 -1.09 0.33 -1.28 0.98 0.00 0.00 173.24 172.18 2ctj h SER 3 N 2.10 0.11 0.00 7.02 0.87 -2.15 -3.50 113.55 118.01 2ctj h SER 3 Ca -0.28 -0.66 0.00 0.00 -1.23 0.00 0.00 61.79 59.62 2ctj h SER 3 Cb 1.27 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2ctj h SER 3 CO 0.35 1.52 0.00 0.61 -0.53 0.00 0.00 176.83 178.78 2ctj n GLY 4 N 1.57 0.75 3.27 5.77 0.00 -1.26 -5.17 105.19 110.11 2ctj n GLY 4 Ca -0.29 -0.46 -0.16 0.00 0.00 0.00 0.00 46.02 45.11 2ctj n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctj s SER 5 N 0.00 1.99 0.11 1.61 0.01 -1.26 -5.17 113.70 110.99 2ctj s SER 5 Ca 0.00 -0.97 -0.06 0.00 1.31 0.00 0.00 55.95 56.24 2ctj s SER 5 Cb 0.00 -0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.16 2ctj s SER 5 CO 0.00 -0.26 0.14 -0.44 0.41 0.00 0.00 173.24 173.10 2ctj s SER 6 N -3.03 0.21 0.00 2.44 0.01 -1.26 -5.17 113.70 106.90 2ctj s SER 6 Ca 0.16 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 56.53 2ctj s SER 6 Cb 0.00 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.56 2ctj s SER 6 CO 0.02 -0.74 0.00 0.61 0.41 0.00 0.00 173.24 173.54 2ctj n GLY 7 N -0.07 4.27 3.91 3.44 0.00 -1.26 -5.16 105.19 110.32 2ctj n GLY 7 Ca -0.11 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 2ctj n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctj s SER 8 N 1.62 6.41 -0.06 1.61 0.01 -1.26 -5.01 113.70 117.03 2ctj s SER 8 Ca 0.00 0.40 0.08 0.00 1.31 0.00 0.00 55.95 57.75 2ctj s SER 8 Cb 0.00 -2.01 -0.12 0.00 0.21 0.00 0.00 66.02 64.09 2ctj s SER 8 CO 0.00 0.14 0.10 -0.38 0.41 0.00 0.00 173.24 173.51 2ctj n ILE 9 N 0.32 0.38 -4.43 1.44 5.41 -1.26 -5.03 119.36 116.19 2ctj n ILE 9 Ca -0.05 -0.31 -0.24 0.00 1.00 0.00 0.00 62.75 63.14 2ctj n ILE 9 Cb 0.51 -0.37 -0.09 0.00 -0.71 0.00 0.00 39.64 38.98 2ctj n ILE 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2ctj s GLN 10 N -2.38 1.88 -0.92 0.38 -2.07 -1.26 -5.09 119.66 110.20 2ctj s GLN 10 Ca -0.04 -1.72 -0.09 0.00 -1.82 0.00 0.00 55.36 51.69 2ctj s GLN 10 Cb 0.04 -1.86 0.23 0.00 -1.09 0.00 0.00 33.01 30.33 2ctj s GLN 10 CO 0.37 0.28 0.86 0.15 -1.32 0.00 0.00 175.29 175.63 2ctj s LYS 11 N -3.59 3.66 -0.20 9.60 -0.14 -1.26 -4.97 119.74 122.84 2ctj s LYS 11 Ca 0.31 -2.89 -0.04 0.00 -1.36 0.00 0.00 55.97 52.00 2ctj s LYS 11 Cb -0.03 -4.32 0.10 0.00 -1.68 0.00 0.00 37.83 31.89 2ctj s LYS 11 CO 0.17 -1.25 0.29 0.34 -0.76 0.00 0.00 175.35 174.13 2ctj s ASP 12 N 1.30 0.74 -0.35 2.83 2.15 -1.26 -5.12 116.67 116.96 2ctj s ASP 12 Ca 0.24 0.15 -0.26 0.00 0.43 0.00 0.00 52.55 53.11 2ctj s ASP 12 Cb -0.11 0.71 0.01 0.00 -0.30 0.00 0.00 42.92 43.24 2ctj s ASP 12 CO -0.09 -0.29 0.93 -0.76 -0.17 0.00 0.00 175.17 174.79 2ctj s LEU 13 N 2.42 4.00 -0.19 -1.34 1.43 -1.26 -5.01 118.68 118.73 2ctj s LEU 13 Ca 0.07 0.67 -0.19 0.00 -1.03 0.00 0.00 54.13 53.65 2ctj s LEU 13 Cb -0.15 -3.28 0.05 0.00 0.03 0.00 0.00 46.19 42.85 2ctj s LEU 13 CO -0.12 -0.82 0.53 0.00 0.23 0.00 0.00 176.35 176.17 2ctj s ALA 14 N 3.41 -1.32 0.11 4.21 0.00 -1.26 -5.05 121.76 121.86 2ctj s ALA 14 Ca 0.38 1.48 -0.17 0.00 0.00 0.00 0.00 51.96 53.66 2ctj s ALA 14 Cb -0.12 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 2ctj s ALA 14 CO 0.17 -0.25 1.58 -2.95 0.00 0.00 0.00 175.76 174.31 2ctj h ASN 15 N 5.24 0.54 -0.96 0.00 -1.07 -2.00 -3.45 115.58 113.87 2ctj h ASN 15 Ca -0.28 -0.27 -0.45 0.00 0.07 0.00 0.00 56.30 55.38 2ctj h ASN 15 Cb 1.17 -0.14 0.10 0.00 -2.07 0.00 0.00 38.32 37.37 2ctj h ASN 15 CO 0.18 0.67 -0.54 -0.38 0.07 0.00 0.00 177.43 177.43 2ctj n ILE 16 N -4.58 0.87 -3.96 6.14 2.08 -1.26 -4.85 119.36 113.80 2ctj n ILE 16 Ca -0.02 -0.35 -0.30 0.00 0.56 0.00 0.00 62.75 62.64 2ctj n ILE 16 Cb 0.23 0.00 -0.16 0.00 -0.75 0.00 0.00 39.64 38.96 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 -0.96 1.99 -0.27 -1.39 0.00 -0.03 -4.96 121.76 116.13 2ctj s ALA 17 Ca 0.43 -1.31 -0.22 0.00 0.00 0.00 0.00 51.96 50.86 2ctj s ALA 17 Cb -0.54 -1.38 -0.01 0.00 0.00 0.00 0.00 23.12 21.20 2ctj s ALA 17 CO 0.42 -1.05 0.73 -2.00 0.00 0.00 0.00 175.76 173.85 2ctj s GLU 18 N 1.39 4.06 -0.07 0.00 -6.30 -1.26 -3.74 118.70 112.77 2ctj s GLU 18 Ca -0.04 0.63 0.02 0.00 -2.50 0.00 0.00 54.97 53.08 2ctj s GLU 18 Cb -0.18 -3.68 0.01 0.00 0.00 0.00 0.00 34.13 30.28 2ctj s GLU 18 CO -0.07 -0.54 -0.13 0.08 0.02 0.00 0.00 175.26 174.62 2ctj s VAL 19 N 2.74 1.17 0.26 3.70 1.01 -0.92 -4.99 120.40 123.37 2ctj s VAL 19 Ca 0.30 -0.50 0.09 0.00 0.00 0.00 0.00 61.98 61.86 2ctj s VAL 19 Cb -0.15 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 2ctj s VAL 19 CO 0.10 0.36 0.05 -1.61 0.00 0.00 0.00 175.10 174.00 2ctj s GLU 20 N 0.62 2.46 0.00 2.72 2.02 -1.26 -1.87 118.70 123.39 2ctj s GLU 20 Ca -0.14 -1.31 -0.03 0.00 0.02 0.00 0.00 54.97 53.50 2ctj s GLU 20 Cb -0.16 -2.27 -0.01 0.00 0.10 0.00 0.00 34.13 31.79 2ctj s GLU 20 CO 0.04 0.38 0.06 0.54 0.02 0.00 0.00 175.26 176.30 2ctj s VAL 21 N -2.24 0.07 -0.40 2.63 0.11 -1.00 -4.98 120.40 114.60 2ctj s VAL 21 Ca 0.32 -0.61 -0.29 0.00 -2.93 0.00 0.00 61.98 58.46 2ctj s VAL 21 Cb -0.07 -0.29 0.01 0.00 -1.53 0.00 0.00 36.38 34.50 2ctj s VAL 21 CO 0.21 -0.34 1.33 -0.55 -3.33 0.00 0.00 175.10 172.43 2ctj s SER 22 N -1.08 6.48 -0.13 3.54 0.15 -1.26 -2.32 113.70 119.07 2ctj s SER 22 Ca -0.12 0.86 -0.11 0.00 0.70 0.00 0.00 55.95 57.28 2ctj s SER 22 Cb -0.07 -2.54 0.04 0.00 -1.71 0.00 0.00 66.02 61.74 2ctj s SER 22 CO 0.00 -1.31 0.35 -0.63 1.20 0.00 0.00 173.24 172.85 2ctj s ILE 23 N 4.99 -0.00 0.92 6.45 1.01 -0.45 -5.01 121.20 129.10 2ctj s ILE 23 Ca 0.57 0.02 -0.12 0.00 0.00 0.00 0.00 60.65 61.13 2ctj s ILE 23 Cb -0.13 -0.49 0.14 0.00 0.01 0.00 0.00 42.46 41.99 2ctj s ILE 23 CO 0.30 0.01 1.09 -2.16 0.00 0.00 0.00 174.94 174.18 2ctj s PRO 24 N 0.36 1.04 0.18 2.79 0.04 -1.26 -3.40 135.00 134.75 2ctj s PRO 24 Ca -0.01 0.74 0.23 0.00 0.04 0.00 0.00 61.00 62.00 2ctj s PRO 24 Cb -0.03 -1.79 0.23 0.00 0.04 0.00 0.00 34.50 32.95 2ctj s PRO 24 CO -0.01 -2.37 1.26 0.00 0.04 0.00 0.00 177.00 175.91 2ctj h ALA 25 N -1.64 0.60 0.00 8.56 0.00 -1.90 -3.26 119.26 121.62 2ctj h ALA 25 Ca -0.51 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 2ctj h ALA 25 Cb 1.30 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2ctj h ALA 25 CO 0.55 0.00 -0.46 1.57 0.00 0.00 0.00 179.25 180.91 2ctj h LYS 26 N 0.00 0.00 0.06 0.00 2.10 -1.98 -3.17 116.57 113.57 2ctj h LYS 26 Ca 0.00 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.35 2ctj h LYS 26 Cb 0.86 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.16 2ctj h LYS 26 CO 0.00 0.46 -1.59 -0.07 -2.00 0.00 0.00 179.45 176.25 2ctj h LEU 27 N 0.00 0.20 -0.60 7.07 3.38 -1.97 -3.39 115.31 120.01 2ctj h LEU 27 Ca -0.00 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.68 2ctj h LEU 27 Cb 1.01 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 2ctj h LEU 27 CO 0.06 1.29 -0.35 1.41 0.09 0.00 0.00 178.44 180.93 2ctj n HIS 28 N -3.30 -0.26 -0.31 1.13 8.25 -1.20 -0.26 115.22 119.26 2ctj n HIS 28 Ca -0.17 0.75 0.04 0.00 -0.26 0.00 0.00 57.72 58.08 2ctj n HIS 28 Cb 1.03 -0.55 0.12 0.00 1.12 0.00 0.00 29.99 31.71 2ctj n HIS 28 CO 0.00 0.00 0.00 -2.95 0.64 0.00 0.00 176.34 174.03 2ctj h ASN 29 N 0.00 -0.83 0.79 0.41 7.08 -1.75 0.19 115.58 121.47 2ctj h ASN 29 Ca 0.10 0.27 -0.04 0.00 -3.08 0.00 0.00 56.30 53.55 2ctj h ASN 29 Cb 0.25 0.55 -0.00 0.00 -2.08 0.00 0.00 38.32 37.04 2ctj h ASN 29 CO -0.56 -0.29 -0.48 0.28 -2.08 0.00 0.00 177.43 174.30 2ctj h SER 30 N -0.00 -1.20 -0.56 6.14 0.02 -0.83 -0.43 113.55 116.69 2ctj h SER 30 Ca 0.42 0.06 0.11 0.00 -0.84 0.00 0.00 61.79 61.55 2ctj h SER 30 Cb 0.65 0.35 -0.11 0.00 0.14 0.00 0.00 62.40 63.42 2ctj h SER 30 CO -0.91 -0.74 -0.16 -0.07 -1.14 0.00 0.00 176.83 173.80 2ctj h LEU 31 N -1.19 -0.59 0.52 5.07 3.38 0.35 -2.37 115.31 120.48 2ctj h LEU 31 Ca -0.11 0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2ctj h LEU 31 Cb 0.95 0.37 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 2ctj h LEU 31 CO 0.11 -0.20 -0.49 0.40 0.09 0.00 0.00 178.44 178.35 2ctj h ILE 32 N -0.03 0.00 0.00 1.22 2.04 -0.55 -3.32 117.51 116.88 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 0.43 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 2ctj h ILE 32 CO -0.59 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.17 2ctj n GLY 33 N -1.55 -0.57 0.07 5.37 0.00 -0.18 -2.50 105.19 105.82 2ctj n GLY 33 Ca -0.12 -2.21 -0.13 0.00 0.00 0.00 0.00 46.02 43.57 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 1.34 -0.34 2.61 1.03 -1.89 -3.35 112.91 112.31 2ctj h THR 34 Ca 0.00 -1.32 -0.26 0.00 -0.01 0.00 0.00 66.41 64.82 2ctj h THR 34 Cb 0.00 2.21 -0.21 0.00 -1.07 0.00 0.00 68.15 69.08 2ctj h THR 34 CO 0.00 0.33 -0.67 1.17 -0.01 0.00 0.00 175.52 176.34 2ctj n LYS 35 N -4.84 2.45 -3.67 0.00 4.81 -1.26 -4.96 118.16 110.70 2ctj n LYS 35 Ca -0.09 -3.66 -0.23 0.00 -0.87 0.00 0.00 58.31 53.47 2ctj n LYS 35 Cb 0.29 -1.87 0.05 0.00 0.02 0.00 0.00 35.03 33.52 2ctj n LYS 35 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ctj n GLY 36 N -0.88 -0.40 0.12 3.14 0.00 -1.25 -4.91 105.19 101.01 2ctj n GLY 36 Ca 0.29 0.16 -0.16 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.46 0.69 0.15 1.61 1.85 -1.17 -2.59 116.66 112.73 2ctj n ARG 37 Ca -0.17 0.19 0.02 0.00 -1.00 0.00 0.00 57.85 56.89 2ctj n ARG 37 Cb 0.62 -1.64 0.37 0.00 -1.05 0.00 0.00 32.46 30.77 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 0.02 0.13 0.10 2.89 3.38 -1.70 -1.76 115.31 118.38 2ctj h LEU 38 Ca -0.46 -0.04 -0.36 0.00 0.09 0.00 0.00 57.88 57.11 2ctj h LEU 38 Cb 2.03 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 42.72 2ctj h LEU 38 CO 0.03 0.39 -2.04 -0.38 0.09 0.00 0.00 178.44 176.53 2ctj n ILE 39 N -4.19 1.74 -0.28 1.22 2.08 -1.20 -3.81 119.36 114.92 2ctj n ILE 39 Ca -0.01 -0.66 -0.03 0.00 0.56 0.00 0.00 62.75 62.61 2ctj n ILE 39 Cb 0.34 -1.64 0.09 0.00 -0.75 0.00 0.00 39.64 37.67 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 0.06 0.94 -0.60 0.38 2.47 -1.45 -0.20 114.38 115.99 2ctj h ARG 40 Ca -0.43 -0.06 -0.05 0.00 -1.26 0.00 0.00 59.98 58.18 2ctj h ARG 40 Cb 2.02 -0.21 -0.03 0.00 -1.65 0.00 0.00 29.97 30.10 2ctj h ARG 40 CO 0.07 0.62 0.17 1.03 0.56 0.00 0.00 179.97 182.43 2ctj h SER 41 N 0.97 0.85 -0.21 7.04 0.87 -1.50 -1.58 113.55 119.99 2ctj h SER 41 Ca 0.30 -0.15 -0.08 0.00 -1.23 0.00 0.00 61.79 60.63 2ctj h SER 41 Cb -0.02 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.72 2ctj h SER 41 CO -0.10 0.81 -0.20 0.40 -0.53 0.00 0.00 176.83 177.21 2ctj h ILE 42 N 0.88 1.32 -0.28 2.23 2.04 -1.48 0.22 117.51 122.45 2ctj h ILE 42 Ca 0.20 -1.35 0.00 0.00 1.00 0.00 0.00 64.86 64.71 2ctj h ILE 42 Cb 0.28 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 2ctj h ILE 42 CO -0.01 0.41 0.18 0.24 0.00 0.00 0.00 178.15 178.98 2ctj h MET 43 N 0.19 0.35 0.36 2.37 2.86 -0.87 -0.57 114.93 119.63 2ctj h MET 43 Ca 0.04 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 2ctj h MET 43 Cb 0.74 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.33 2ctj h MET 43 CO 0.05 0.23 -0.17 1.49 1.06 0.00 0.00 176.91 179.57 2ctj h GLU 44 N 0.36 -0.47 -0.86 1.72 4.81 -1.31 0.42 114.58 119.26 2ctj h GLU 44 Ca 0.10 0.03 0.22 0.00 -0.13 0.00 0.00 59.36 59.59 2ctj h GLU 44 Cb -0.03 0.11 -0.15 0.00 0.63 0.00 0.00 28.75 29.31 2ctj h GLU 44 CO -0.03 -0.25 0.14 0.93 -0.73 0.00 0.00 179.01 179.07 2ctj h GLU 45 N -1.09 0.14 0.79 1.92 4.39 -0.60 -1.06 114.58 119.08 2ctj h GLU 45 Ca -0.05 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 2ctj h GLU 45 Cb 0.44 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2ctj h GLU 45 CO 0.08 0.09 -0.39 0.00 -1.16 0.00 0.00 179.01 177.64 2ctj n GLY 47 N -1.55 0.07 0.00 0.00 0.00 -0.40 -4.93 105.19 98.37 2ctj n GLY 47 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.47 3.83 -0.02 0.00 0.14 -4.90 105.19 104.71 2ctj n GLY 48 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.58 4.45 -0.18 1.61 -7.23 -1.11 -4.95 120.40 112.41 2ctj s VAL 49 Ca 0.00 1.38 -0.05 0.00 -1.81 0.00 0.00 61.98 61.50 2ctj s VAL 49 Cb 0.00 -3.65 -0.03 0.00 0.56 0.00 0.00 36.38 33.27 2ctj s VAL 49 CO 0.00 -0.46 -0.01 -1.00 -0.31 0.00 0.00 175.10 173.32 2ctj s HIS 50 N -2.34 3.04 -0.10 2.82 0.09 -0.34 -4.67 115.29 113.79 2ctj s HIS 50 Ca 0.61 -0.36 -0.03 0.00 -0.00 0.00 0.00 55.06 55.28 2ctj s HIS 50 Cb -0.09 -2.03 -0.03 0.00 -0.00 0.00 0.00 32.58 30.43 2ctj s HIS 50 CO 0.20 -0.13 0.01 0.42 -0.00 0.00 0.00 174.74 175.24 2ctj s ILE 51 N 0.68 4.35 -0.15 0.60 1.01 -1.26 -0.11 121.20 126.32 2ctj s ILE 51 Ca -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 60.65 60.39 2ctj s ILE 51 Cb -0.14 -2.85 -0.02 0.00 0.01 0.00 0.00 42.46 39.45 2ctj s ILE 51 CO 0.02 0.58 -0.07 -1.00 0.00 0.00 0.00 174.94 174.48 2ctj s HIS 52 N -0.64 2.96 -0.14 3.97 3.76 0.17 -4.99 115.29 120.38 2ctj s HIS 52 Ca 0.10 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.61 2ctj s HIS 52 Cb -0.12 -1.93 0.02 0.00 1.11 0.00 0.00 32.58 31.67 2ctj s HIS 52 CO 0.02 -0.09 -0.13 -0.06 -0.85 0.00 0.00 174.74 173.63 2ctj s PHE 53 N 0.37 2.02 0.40 1.40 0.08 -1.26 -2.92 117.98 118.06 2ctj s PHE 53 Ca -0.06 -1.12 -0.25 0.00 0.12 0.00 0.00 56.93 55.62 2ctj s PHE 53 Cb -0.15 -1.51 -0.08 0.00 -0.57 0.00 0.00 43.02 40.70 2ctj s PHE 53 CO 0.04 -0.64 1.19 -1.25 -0.10 0.00 0.00 175.22 174.46 2ctj s PRO 54 N 1.54 4.03 0.30 0.24 0.04 -1.26 -5.01 135.00 134.87 2ctj s PRO 54 Ca 0.05 1.88 -0.28 0.00 0.04 0.00 0.00 61.00 62.69 2ctj s PRO 54 Cb -0.13 -2.67 -0.09 0.00 0.04 0.00 0.00 34.50 31.64 2ctj s PRO 54 CO -0.10 -0.35 1.01 0.08 0.04 0.00 0.00 177.00 177.68 2ctj s VAL 55 N -1.40 3.86 0.32 -0.36 1.01 -1.26 -4.84 120.40 117.72 2ctj s VAL 55 Ca 0.57 1.72 0.11 0.00 0.00 0.00 0.00 61.98 64.38 2ctj s VAL 55 Cb -0.32 -4.04 0.36 0.00 0.00 0.00 0.00 36.38 32.38 2ctj s VAL 55 CO 0.40 0.30 1.46 -0.62 0.00 0.00 0.00 175.10 176.64 2ctj n GLU 56 N 0.95 -0.06 -0.19 2.72 4.71 -1.26 -0.07 120.64 127.44 2ctj n GLU 56 Ca 0.00 1.33 -0.06 0.00 -0.01 0.00 0.00 57.16 58.43 2ctj n GLU 56 Cb 0.47 -2.25 0.00 0.00 -1.01 0.00 0.00 31.44 28.65 2ctj n GLU 56 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 2ctj h GLY 57 N 0.00 -0.15 0.98 0.62 0.00 -2.02 -0.61 103.07 101.89 2ctj h GLY 57 Ca 0.67 0.44 0.01 0.00 0.00 0.00 0.00 47.33 48.45 2ctj h GLY 57 CO -0.79 -0.20 0.38 0.23 0.00 0.00 0.00 176.54 176.15 2ctj h SER 58 N -0.18 0.65 -1.23 0.19 0.87 -0.85 -3.47 113.55 109.53 2ctj h SER 58 Ca 0.22 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 2ctj h SER 58 Cb 0.55 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2ctj h SER 58 CO -0.66 0.47 -0.01 0.61 -0.53 0.00 0.00 176.83 176.70 2ctj n GLY 59 N -1.26 0.86 3.40 5.77 0.00 -0.24 -5.04 105.19 108.68 2ctj n GLY 59 Ca 0.04 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 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 -3.01 5.46 -0.26 1.61 0.15 -1.26 -4.97 113.70 111.43 2ctj s SER 60 Ca 0.01 -0.65 -0.00 0.00 0.70 0.00 0.00 55.95 56.00 2ctj s SER 60 Cb -0.00 -1.97 0.21 0.00 -1.71 0.00 0.00 66.02 62.55 2ctj s SER 60 CO 0.01 -0.22 1.85 0.47 1.20 0.00 0.00 173.24 176.55 2ctj n ASP 61 N 4.95 5.55 -4.25 5.45 8.00 -1.26 -4.61 116.55 130.39 2ctj n ASP 61 Ca -0.14 -2.91 -0.28 0.00 0.71 0.00 0.00 54.79 52.17 2ctj n ASP 61 Cb 0.48 -0.96 -0.16 0.00 -0.02 0.00 0.00 41.12 40.47 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 -1.85 1.76 -0.29 -3.53 2.01 -1.22 -1.35 115.64 111.18 2ctj s THR 62 Ca 0.26 -0.96 -0.01 0.00 0.31 0.00 0.00 61.69 61.29 2ctj s THR 62 Cb 0.21 -1.47 0.05 0.00 0.01 0.00 0.00 72.50 71.31 2ctj s THR 62 CO 0.01 0.49 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.71 2ctj s VAL 63 N -0.53 2.79 -0.23 3.82 1.01 -0.98 -4.48 120.40 121.80 2ctj s VAL 63 Ca 0.09 -1.43 -0.17 0.00 0.00 0.00 0.00 61.98 60.46 2ctj s VAL 63 Cb -0.09 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 2ctj s VAL 63 CO -0.01 -0.08 0.46 -0.69 0.00 0.00 0.00 175.10 174.79 2ctj s VAL 64 N 1.22 5.13 0.06 2.92 1.01 -1.15 -2.36 120.40 127.23 2ctj s VAL 64 Ca -0.06 0.81 0.08 0.00 0.00 0.00 0.00 61.98 62.81 2ctj s VAL 64 Cb -0.20 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 2ctj s VAL 64 CO -0.02 0.17 -0.19 -0.63 0.00 0.00 0.00 175.10 174.42 2ctj s ILE 65 N 1.80 2.70 0.11 2.22 1.01 -0.78 0.46 121.20 128.71 2ctj s ILE 65 Ca 0.21 -1.30 0.07 0.00 0.00 0.00 0.00 60.65 59.63 2ctj s ILE 65 Cb -0.15 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 2ctj s ILE 65 CO 0.09 0.28 -0.19 -0.13 0.00 0.00 0.00 174.94 175.00 2ctj s ARG 66 N -1.58 1.08 0.00 2.79 0.52 0.84 -2.17 118.95 120.44 2ctj s ARG 66 Ca 0.15 -1.17 0.00 0.00 -0.52 0.00 0.00 55.73 54.19 2ctj s ARG 66 Cb -0.10 -1.23 0.00 0.00 0.52 0.00 0.00 34.95 34.14 2ctj s ARG 66 CO 0.06 0.27 0.00 0.41 0.02 0.00 0.00 175.30 176.06 2ctj n GLY 67 N 0.93 0.82 3.64 -3.53 0.00 -1.25 -1.19 105.19 104.61 2ctj n GLY 67 Ca -0.18 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.41 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 -1.54 3.90 0.11 1.61 0.04 -1.26 -0.85 135.00 137.00 2ctj s PRO 68 Ca 0.00 1.74 -0.20 0.00 0.04 0.00 0.00 61.00 62.58 2ctj s PRO 68 Cb 0.00 -4.00 -0.05 0.00 0.04 0.00 0.00 34.50 30.49 2ctj s PRO 68 CO 0.00 -1.17 1.13 -1.13 0.04 0.00 0.00 177.00 175.87 2ctj n SER 69 N 8.06 -0.70 -0.25 6.66 3.41 -1.26 0.12 113.62 129.66 2ctj n SER 69 Ca 0.18 1.29 0.18 0.00 -0.26 0.00 0.00 58.87 60.26 2ctj n SER 69 Cb 0.45 -0.21 0.35 0.00 -0.26 0.00 0.00 64.21 64.54 2ctj n SER 69 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2ctj n SER 70 N -4.65 0.11 0.08 4.04 2.88 -1.26 0.16 113.62 114.97 2ctj n SER 70 Ca 0.01 1.27 -0.22 0.00 -1.33 0.00 0.00 58.87 58.60 2ctj n SER 70 Cb 0.17 -0.55 -0.15 0.00 -0.75 0.00 0.00 64.21 62.94 2ctj n SER 70 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2ctj h ASP 71 N 0.00 0.60 -0.49 -3.46 5.19 0.61 -3.32 116.42 115.54 2ctj h ASP 71 Ca 0.56 -0.85 0.09 0.00 -0.62 0.00 0.00 57.03 56.21 2ctj h ASP 71 Cb 1.36 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 40.65 2ctj h ASP 71 CO -0.64 1.71 0.34 0.58 -3.12 0.00 0.00 179.24 178.11 2ctj h VAL 72 N 0.10 0.90 -0.30 -1.35 2.07 0.47 0.58 116.25 118.73 2ctj h VAL 72 Ca -0.32 -0.10 -0.13 0.00 0.82 0.00 0.00 66.70 66.97 2ctj h VAL 72 Cb 2.09 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 2ctj h VAL 72 CO 0.18 0.06 -0.36 1.05 0.02 0.00 0.00 177.57 178.52 2ctj h GLU 73 N 0.30 0.68 0.01 1.57 4.11 -0.50 -1.47 114.58 119.28 2ctj h GLU 73 Ca 0.23 -0.33 -0.19 0.00 0.07 0.00 0.00 59.36 59.13 2ctj h GLU 73 Cb 0.50 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2ctj h GLU 73 CO -0.05 0.94 -0.90 0.87 0.07 0.00 0.00 179.01 179.94 2ctj h LYS 74 N 0.57 0.05 -0.14 1.06 1.57 -1.25 -2.67 116.57 115.76 2ctj h LYS 74 Ca 0.05 -0.06 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 2ctj h LYS 74 Cb 0.88 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.22 2ctj h LYS 74 CO 0.08 0.91 -0.70 0.00 -0.57 0.00 0.00 179.45 179.16 2ctj h ALA 75 N 1.07 0.50 -0.14 3.86 0.00 -0.83 -2.31 119.26 121.40 2ctj h ALA 75 Ca -0.02 -0.58 -0.08 0.00 0.00 0.00 0.00 54.91 54.23 2ctj h ALA 75 Cb 1.57 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 2ctj h ALA 75 CO 0.12 0.71 -0.23 -0.22 0.00 0.00 0.00 179.25 179.64 2ctj h LYS 76 N 0.43 0.40 0.00 0.00 3.11 -1.31 -1.43 116.57 117.77 2ctj h LYS 76 Ca -0.03 -0.25 -0.03 0.00 -2.81 0.00 0.00 60.65 57.53 2ctj h LYS 76 Cb 1.30 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 32.55 2ctj h LYS 76 CO 0.13 0.83 -0.17 1.57 -2.81 0.00 0.00 179.45 179.01 2ctj h LYS 77 N 0.01 0.00 0.22 1.90 2.10 -1.53 -2.09 116.57 117.18 2ctj h LYS 77 Ca 0.01 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.34 2ctj h LYS 77 Cb 0.80 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 32.16 2ctj h LYS 77 CO 0.05 0.17 -1.43 1.96 -2.00 0.00 0.00 179.45 178.20 2ctj h GLN 78 N 0.00 0.46 -0.66 0.07 4.20 -1.31 -3.02 115.11 114.84 2ctj h GLN 78 Ca -0.00 -0.78 -0.08 0.00 0.06 0.00 0.00 58.65 57.85 2ctj h GLN 78 Cb 0.38 0.29 -0.03 0.00 0.30 0.00 0.00 27.48 28.42 2ctj h GLN 78 CO 0.02 1.37 0.10 1.25 -0.67 0.00 0.00 178.83 180.90 2ctj h LEU 79 N 0.12 1.06 0.13 1.46 5.85 -0.91 -2.65 115.31 120.37 2ctj h LEU 79 Ca -0.23 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 2ctj h LEU 79 Cb 2.11 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.86 2ctj h LEU 79 CO 0.25 1.05 -0.06 -0.07 -0.34 0.00 0.00 178.44 179.27 2ctj h LEU 80 N 1.02 -0.15 -1.12 2.25 4.07 -1.49 0.18 115.31 120.08 2ctj h LEU 80 Ca 0.20 -0.19 0.19 0.00 0.08 0.00 0.00 57.88 58.16 2ctj h LEU 80 Cb 0.45 0.04 -0.10 0.00 1.08 0.00 0.00 40.66 42.13 2ctj h LEU 80 CO 0.01 0.11 0.61 -0.74 -1.08 0.00 0.00 178.44 177.35 2ctj h HIS 81 N -0.41 0.96 0.12 1.13 2.76 -1.49 0.12 115.15 118.34 2ctj h HIS 81 Ca -0.02 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 2ctj h HIS 81 Cb 0.33 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.00 2ctj h HIS 81 CO 0.00 0.22 -0.06 -0.07 -1.30 0.00 0.00 177.93 176.73 2ctj h LEU 82 N 0.70 -0.13 -0.99 0.26 3.38 -1.29 -1.11 115.31 116.13 2ctj h LEU 82 Ca 0.56 0.00 0.33 0.00 0.09 0.00 0.00 57.88 58.86 2ctj h LEU 82 Cb 0.96 0.03 -0.16 0.00 0.09 0.00 0.00 40.66 41.59 2ctj h LEU 82 CO -0.34 0.20 0.51 0.00 0.09 0.00 0.00 178.44 178.90 2ctj h ALA 83 N -1.33 1.90 -0.01 1.53 0.00 -0.45 0.25 119.26 121.14 2ctj h ALA 83 Ca -0.02 0.22 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2ctj h ALA 83 Cb 0.12 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2ctj h ALA 83 CO 0.03 -0.65 -0.22 1.05 0.00 0.00 0.00 179.25 179.46 2ctj h GLU 84 N 0.23 0.16 0.23 0.00 4.11 -0.87 -3.33 114.58 115.11 2ctj h GLU 84 Ca 0.74 -0.16 0.01 0.00 0.07 0.00 0.00 59.36 60.01 2ctj h GLU 84 Cb 1.73 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.99 2ctj h GLU 84 CO -0.66 0.89 -0.38 0.93 0.07 0.00 0.00 179.01 179.86 2ctj h GLU 85 N -0.50 -0.67 -0.78 1.06 4.39 0.56 -2.26 114.58 116.37 2ctj h GLU 85 Ca -0.03 0.05 0.22 0.00 0.34 0.00 0.00 59.36 59.94 2ctj h GLU 85 Cb 0.96 0.15 -0.15 0.00 -0.10 0.00 0.00 28.75 29.62 2ctj h GLU 85 CO 0.04 -0.44 0.04 1.63 -1.16 0.00 0.00 179.01 179.12 2ctj n LYS 86 N -5.46 -0.06 -1.51 2.33 4.76 0.59 -4.14 118.16 114.66 2ctj n LYS 86 Ca -0.08 1.16 -0.44 0.00 -2.87 0.00 0.00 58.31 56.08 2ctj n LYS 86 Cb 0.37 -1.86 -0.06 0.00 -1.84 0.00 0.00 35.03 31.64 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 -5.08 1.12 -3.83 1.97 6.02 -0.85 -4.90 117.38 111.82 2ctj n GLN 87 Ca 0.19 0.23 -0.11 0.00 -0.01 0.00 0.00 57.00 57.30 2ctj n GLN 87 Cb 0.63 -2.77 -0.08 0.00 1.02 0.00 0.00 30.24 29.04 2ctj n GLN 87 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 2ctj s THR 88 N 9.03 0.11 0.69 5.09 -1.32 -1.26 -5.05 115.64 122.93 2ctj s THR 88 Ca 1.08 -0.87 0.01 0.00 -1.21 0.00 0.00 61.69 60.70 2ctj s THR 88 Cb -0.62 -0.92 0.11 0.00 -1.51 0.00 0.00 72.50 69.57 2ctj s THR 88 CO 0.40 -0.48 0.95 -0.54 -2.21 0.00 0.00 174.62 172.74 2ctj s LYS 89 N -2.57 1.82 0.31 7.08 1.02 -1.26 -5.03 119.74 121.11 2ctj s LYS 89 Ca -0.05 -1.16 -0.28 0.00 0.02 0.00 0.00 55.97 54.49 2ctj s LYS 89 Cb -0.01 -2.39 -0.13 0.00 -0.52 0.00 0.00 37.83 34.79 2ctj s LYS 89 CO -0.04 -1.32 1.23 0.45 -0.92 0.00 0.00 175.35 174.75 2ctj n SER 90 N -2.72 2.35 -4.75 2.83 2.88 -1.26 -4.90 113.62 108.05 2ctj n SER 90 Ca 0.15 1.19 -0.41 0.00 -1.33 0.00 0.00 58.87 58.47 2ctj n SER 90 Cb 0.61 -1.42 -0.03 0.00 -0.75 0.00 0.00 64.21 62.62 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 -0.29 2.71 0.67 0.46 0.00 -1.26 -5.00 107.32 104.61 2ctj s GLY 91 Ca 0.58 1.18 -0.14 0.00 0.00 0.00 0.00 44.72 46.34 2ctj s GLY 91 CO 0.60 1.99 1.11 2.56 0.00 0.00 0.00 173.10 179.35 2ctj s PRO 92 N -0.96 2.75 -0.09 2.90 0.04 -1.26 -5.06 135.00 133.32 2ctj s PRO 92 Ca 0.53 1.36 -0.03 0.00 0.04 0.00 0.00 61.00 62.90 2ctj s PRO 92 Cb -0.38 -1.95 0.04 0.00 0.04 0.00 0.00 34.50 32.25 2ctj s PRO 92 CO 0.45 -1.29 0.06 -1.54 0.04 0.00 0.00 177.00 174.72 2ctj s SER 93 N -2.68 1.68 -0.02 6.66 1.04 -1.26 -5.14 113.70 113.98 2ctj s SER 93 Ca 0.66 -0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.90 2ctj s SER 93 Cb -0.20 -0.25 -0.03 0.00 0.10 0.00 0.00 66.02 65.63 2ctj s SER 93 CO 0.43 -0.27 -0.02 -0.94 0.98 0.00 0.00 173.24 173.42 2ctj s SER 94 N 2.10 4.97 0.00 7.02 1.04 -1.26 -5.35 113.70 122.23 2ctj s SER 94 Ca 0.04 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.45 2ctj s SER 94 Cb -0.14 -1.28 0.00 0.00 0.10 0.00 0.00 66.02 64.70 2ctj s SER 94 CO -0.05 0.30 0.38 0.61 0.98 0.00 0.00 173.24 175.46