#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 -0.89 -0.12 1.61 0.01 -1.26 -5.16 113.70 107.90 2ctj s SER 2 Ca 0.00 1.39 0.00 0.00 1.31 0.00 0.00 55.95 58.65 2ctj s SER 2 Cb 0.00 1.44 -0.02 0.00 0.21 0.00 0.00 66.02 67.65 2ctj s SER 2 CO 0.00 -0.22 -0.13 -0.94 0.41 0.00 0.00 173.24 172.36 2ctj s SER 3 N 1.71 3.99 0.00 2.44 1.04 -1.26 -4.99 113.70 116.63 2ctj s SER 3 Ca -0.09 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.01 2ctj s SER 3 Cb -0.05 -1.56 0.00 0.00 0.10 0.00 0.00 66.02 64.51 2ctj s SER 3 CO -0.19 0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.82 2ctj n GLY 4 N 3.44 2.53 3.38 7.32 0.00 -1.26 -5.18 105.19 115.42 2ctj n GLY 4 Ca -0.18 -0.64 -0.19 0.00 0.00 0.00 0.00 46.02 45.01 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 2.10 -0.12 1.61 0.01 -1.26 -5.15 113.70 110.89 2ctj s SER 5 Ca 0.00 -1.27 -0.03 0.00 1.31 0.00 0.00 55.95 55.95 2ctj s SER 5 Cb 0.00 -0.04 0.05 0.00 0.21 0.00 0.00 66.02 66.24 2ctj s SER 5 CO 0.00 -0.53 0.07 -0.55 0.41 0.00 0.00 173.24 172.64 2ctj s SER 6 N -3.38 1.91 0.21 2.44 0.15 -1.26 -5.15 113.70 108.62 2ctj s SER 6 Ca 0.32 -0.35 0.09 0.00 0.70 0.00 0.00 55.95 56.71 2ctj s SER 6 Cb 0.06 -0.25 -0.04 0.00 -1.71 0.00 0.00 66.02 64.08 2ctj s SER 6 CO 0.12 -0.30 -0.03 -0.83 1.20 0.00 0.00 173.24 173.40 2ctj s GLY 7 N 2.12 1.69 -0.11 9.45 0.00 -1.26 -5.12 107.32 114.09 2ctj s GLY 7 Ca 0.03 -1.50 -0.03 0.00 0.00 0.00 0.00 44.72 43.22 2ctj s GLY 7 CO -0.07 -1.54 0.05 -0.45 0.00 0.00 0.00 173.10 171.09 2ctj s SER 8 N -3.20 1.85 -1.32 1.64 0.15 -1.26 -5.06 113.70 106.50 2ctj s SER 8 Ca 0.28 -0.29 -0.09 0.00 0.70 0.00 0.00 55.95 56.55 2ctj s SER 8 Cb -0.08 -0.32 0.13 0.00 -1.71 0.00 0.00 66.02 64.05 2ctj s SER 8 CO 0.18 -0.27 2.05 2.30 1.20 0.00 0.00 173.24 178.70 2ctj n ILE 9 N 5.22 4.38 -3.71 6.45 -5.35 -1.26 -4.56 119.36 120.52 2ctj n ILE 9 Ca -0.06 -4.14 -0.25 0.00 -0.27 0.00 0.00 62.75 58.03 2ctj n ILE 9 Cb 0.49 -2.35 0.05 0.00 -1.74 0.00 0.00 39.64 36.09 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 3.78 -6.25 -0.84 6.28 1.13 -1.26 -4.92 117.38 115.29 2ctj n GLN 10 Ca 0.46 0.70 -0.35 0.00 -1.94 0.00 0.00 57.00 55.87 2ctj n GLN 10 Cb 0.34 -5.59 0.10 0.00 0.11 0.00 0.00 30.24 25.20 2ctj n GLN 10 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 2ctj n LYS 11 N -4.61 -0.69 -4.17 -1.09 4.81 -1.26 -4.96 118.16 106.19 2ctj n LYS 11 Ca -0.09 -0.19 -0.34 0.00 -0.87 0.00 0.00 58.31 56.81 2ctj n LYS 11 Cb 0.59 -1.37 -0.13 0.00 0.02 0.00 0.00 35.03 34.14 2ctj n LYS 11 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2ctj s ASP 12 N -1.44 4.48 0.40 3.14 -1.08 -1.26 -5.10 116.67 115.81 2ctj s ASP 12 Ca 0.47 -0.29 -0.23 0.00 -0.52 0.00 0.00 52.55 51.98 2ctj s ASP 12 Cb -0.05 -1.75 -0.09 0.00 -1.46 0.00 0.00 42.92 39.57 2ctj s ASP 12 CO 0.68 0.06 1.01 -1.48 0.52 0.00 0.00 175.17 175.97 2ctj s LEU 13 N 0.99 4.10 0.09 -1.34 0.05 -1.26 -5.07 118.68 116.25 2ctj s LEU 13 Ca 0.00 1.93 0.05 0.00 0.05 0.00 0.00 54.13 56.17 2ctj s LEU 13 Cb -0.15 -4.27 -0.03 0.00 -2.05 0.00 0.00 46.19 39.70 2ctj s LEU 13 CO 0.01 -0.44 -0.14 0.00 -0.55 0.00 0.00 176.35 175.23 2ctj s ALA 14 N -1.78 1.27 0.14 1.48 0.00 -1.26 -5.06 121.76 116.55 2ctj s ALA 14 Ca 0.58 -1.12 -0.25 0.00 0.00 0.00 0.00 51.96 51.18 2ctj s ALA 14 Cb -0.18 -0.07 -0.00 0.00 0.00 0.00 0.00 23.12 22.86 2ctj s ALA 14 CO 0.23 0.12 1.61 -2.95 0.00 0.00 0.00 175.76 174.78 2ctj h ASN 15 N 3.95 -0.94 -1.09 0.00 -1.07 -2.00 -3.43 115.58 110.99 2ctj h ASN 15 Ca -0.40 0.15 -0.46 0.00 0.07 0.00 0.00 56.30 55.66 2ctj h ASN 15 Cb 1.19 0.41 0.11 0.00 -2.07 0.00 0.00 38.32 37.96 2ctj h ASN 15 CO 0.45 -0.33 -0.61 -0.38 0.07 0.00 0.00 177.43 176.63 2ctj n ILE 16 N -5.40 0.69 -4.02 6.14 2.08 -1.26 -4.84 119.36 112.74 2ctj n ILE 16 Ca -0.02 -0.36 -0.31 0.00 0.56 0.00 0.00 62.75 62.62 2ctj n ILE 16 Cb 0.32 0.00 -0.15 0.00 -0.75 0.00 0.00 39.64 39.05 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 -1.09 2.27 -0.40 -1.39 0.00 -0.05 -4.96 121.76 116.14 2ctj s ALA 17 Ca 0.43 -1.51 -0.23 0.00 0.00 0.00 0.00 51.96 50.66 2ctj s ALA 17 Cb -0.51 -1.46 0.02 0.00 0.00 0.00 0.00 23.12 21.17 2ctj s ALA 17 CO 0.44 -1.07 0.79 -2.00 0.00 0.00 0.00 175.76 173.92 2ctj s GLU 18 N 1.25 3.61 -0.08 0.00 2.12 -1.26 -3.88 118.70 120.47 2ctj s GLU 18 Ca -0.06 0.15 0.04 0.00 0.36 0.00 0.00 54.97 55.45 2ctj s GLU 18 Cb -0.18 -3.86 0.00 0.00 0.26 0.00 0.00 34.13 30.35 2ctj s GLU 18 CO -0.06 -0.97 -0.19 0.08 -0.54 0.00 0.00 175.26 173.58 2ctj s VAL 19 N 3.20 1.63 0.34 3.70 1.01 -1.08 -4.99 120.40 124.21 2ctj s VAL 19 Ca 0.31 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.58 2ctj s VAL 19 Cb -0.13 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 2ctj s VAL 19 CO 0.20 0.46 0.30 -1.61 0.00 0.00 0.00 175.10 174.45 2ctj s GLU 20 N 0.38 2.70 0.05 2.72 2.02 -1.26 -2.04 118.70 123.27 2ctj s GLU 20 Ca -0.14 -1.32 -0.04 0.00 0.02 0.00 0.00 54.97 53.48 2ctj s GLU 20 Cb -0.16 -2.46 -0.02 0.00 0.10 0.00 0.00 34.13 31.59 2ctj s GLU 20 CO 0.06 0.06 0.07 0.54 0.02 0.00 0.00 175.26 176.01 2ctj s VAL 21 N -2.32 0.16 -0.48 2.63 0.11 -0.73 -4.98 120.40 114.78 2ctj s VAL 21 Ca 0.42 -1.31 -0.18 0.00 -2.93 0.00 0.00 61.98 57.97 2ctj s VAL 21 Cb -0.05 -1.12 0.06 0.00 -1.53 0.00 0.00 36.38 33.73 2ctj s VAL 21 CO 0.27 -0.73 0.53 -0.55 -3.33 0.00 0.00 175.10 171.29 2ctj s SER 22 N -2.45 6.20 -0.09 3.54 0.15 -1.26 -2.45 113.70 117.34 2ctj s SER 22 Ca -0.00 -0.97 -0.07 0.00 0.70 0.00 0.00 55.95 55.60 2ctj s SER 22 Cb 0.02 -2.25 0.03 0.00 -1.71 0.00 0.00 66.02 62.11 2ctj s SER 22 CO -0.07 -0.77 0.22 -0.63 1.20 0.00 0.00 173.24 173.19 2ctj s ILE 23 N 2.28 -0.01 0.62 6.45 1.01 -0.83 -5.05 121.20 125.68 2ctj s ILE 23 Ca 0.12 0.03 -0.16 0.00 0.00 0.00 0.00 60.65 60.63 2ctj s ILE 23 Cb -0.20 -0.32 -0.02 0.00 0.01 0.00 0.00 42.46 41.93 2ctj s ILE 23 CO 0.11 0.01 1.12 -2.16 0.00 0.00 0.00 174.94 174.02 2ctj s PRO 24 N 0.30 2.98 0.44 2.79 0.04 -1.26 -4.14 135.00 136.15 2ctj s PRO 24 Ca -0.02 1.46 0.24 0.00 0.04 0.00 0.00 61.00 62.72 2ctj s PRO 24 Cb -0.03 -1.97 0.94 0.00 0.04 0.00 0.00 34.50 33.49 2ctj s PRO 24 CO -0.01 -1.12 1.84 0.00 0.04 0.00 0.00 177.00 177.75 2ctj h ALA 25 N 0.40 1.04 -0.50 8.56 0.00 -1.89 -2.94 119.26 123.93 2ctj h ALA 25 Ca -0.48 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.28 2ctj h ALA 25 Cb 1.25 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 2ctj h ALA 25 CO 0.55 0.28 0.33 1.57 0.00 0.00 0.00 179.25 181.98 2ctj h LYS 26 N 0.00 0.44 0.08 0.00 2.10 -1.99 -2.27 116.57 114.93 2ctj h LYS 26 Ca -0.00 -0.03 -0.31 0.00 -2.00 0.00 0.00 60.65 58.31 2ctj h LYS 26 Cb 0.73 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 31.93 2ctj h LYS 26 CO 0.03 0.29 -1.68 -0.07 -2.00 0.00 0.00 179.45 176.02 2ctj h LEU 27 N 0.45 0.27 -0.23 7.07 3.38 -1.91 -3.40 115.31 120.94 2ctj h LEU 27 Ca 0.21 -0.47 0.02 0.00 0.09 0.00 0.00 57.88 57.73 2ctj h LEU 27 Cb 0.27 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2ctj h LEU 27 CO -0.06 1.41 -0.14 0.45 0.09 0.00 0.00 178.44 180.19 2ctj h HIS 28 N 0.05 -0.45 -1.66 1.13 3.86 -1.27 0.99 115.15 117.80 2ctj h HIS 28 Ca -0.29 0.03 0.50 0.00 -1.16 0.00 0.00 60.37 59.44 2ctj h HIS 28 Cb 2.01 0.23 -0.09 0.00 1.06 0.00 0.00 27.41 30.62 2ctj h HIS 28 CO 0.05 -0.09 1.16 -2.95 0.86 0.00 0.00 177.93 176.96 2ctj h ASN 29 N -0.00 0.07 0.12 2.45 -1.07 -1.75 0.23 115.58 115.63 2ctj h ASN 29 Ca 0.04 0.04 -0.01 0.00 0.07 0.00 0.00 56.30 56.44 2ctj h ASN 29 Cb 0.10 0.04 0.00 0.00 -2.07 0.00 0.00 38.32 36.39 2ctj h ASN 29 CO -0.22 -0.06 -0.06 -1.28 0.07 0.00 0.00 177.43 175.88 2ctj h SER 30 N 0.02 -0.14 -0.73 6.14 0.87 0.66 -2.50 113.55 117.87 2ctj h SER 30 Ca 0.85 0.00 0.15 0.00 -1.23 0.00 0.00 61.79 61.56 2ctj h SER 30 Cb 3.18 0.04 -0.10 0.00 -0.44 0.00 0.00 62.40 65.08 2ctj h SER 30 CO -0.13 0.24 0.23 -0.07 -0.53 0.00 0.00 176.83 176.57 2ctj h LEU 31 N -0.86 0.13 0.76 2.23 3.38 0.10 -2.64 115.31 118.41 2ctj h LEU 31 Ca -0.02 0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2ctj h LEU 31 Cb 0.13 0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.03 2ctj h LEU 31 CO 0.03 0.02 -0.36 0.40 0.09 0.00 0.00 178.44 178.62 2ctj h ILE 32 N 0.34 0.00 0.00 1.22 2.04 -0.76 -3.12 117.51 117.23 2ctj h ILE 32 Ca 0.41 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 66.22 2ctj h ILE 32 Cb 0.67 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 2ctj h ILE 32 CO -0.46 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.30 2ctj n GLY 33 N -1.32 3.10 0.33 5.37 0.00 -0.94 -1.10 105.19 110.63 2ctj n GLY 33 Ca -0.13 -1.90 0.25 0.00 0.00 0.00 0.00 46.02 44.24 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 0.10 -0.60 2.61 1.03 -1.88 -1.57 112.91 112.60 2ctj h THR 34 Ca 0.00 -0.03 -0.33 0.00 -0.01 0.00 0.00 66.41 66.04 2ctj h THR 34 Cb 0.00 -0.00 -0.41 0.00 -1.07 0.00 0.00 68.15 66.67 2ctj h THR 34 CO 0.00 0.02 -1.05 0.29 -0.01 0.00 0.00 175.52 174.76 2ctj n LYS 35 N -5.26 2.12 -3.38 0.00 4.01 -1.26 -4.99 118.16 109.40 2ctj n LYS 35 Ca 0.32 -3.66 -0.18 0.00 -0.51 0.00 0.00 58.31 54.28 2ctj n LYS 35 Cb 1.06 -1.73 0.07 0.00 -0.51 0.00 0.00 35.03 33.92 2ctj n LYS 35 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2ctj n GLY 36 N -0.56 -0.93 0.46 0.72 0.00 -0.59 -4.97 105.19 99.32 2ctj n GLY 36 Ca 0.16 0.45 -0.12 0.00 0.00 0.00 0.00 46.02 46.51 2ctj n GLY 36 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2ctj n ARG 37 N -3.60 0.35 0.24 1.61 0.00 -0.26 -3.64 116.66 111.35 2ctj n ARG 37 Ca -0.13 0.15 0.14 0.00 -0.00 0.00 0.00 57.85 58.01 2ctj n ARG 37 Cb 0.63 -1.09 0.59 0.00 0.00 0.00 0.00 32.46 32.58 2ctj n ARG 37 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2ctj h LEU 38 N -0.62 0.00 0.02 6.15 4.07 -1.44 -0.05 115.31 123.43 2ctj h LEU 38 Ca -0.22 0.00 -0.39 0.00 0.08 0.00 0.00 57.88 57.35 2ctj h LEU 38 Cb 1.00 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.68 2ctj h LEU 38 CO -0.13 0.00 -2.25 -0.38 -1.08 0.00 0.00 178.44 174.59 2ctj n ILE 39 N -2.99 1.55 -0.14 1.22 2.08 -1.06 -4.22 119.36 115.79 2ctj n ILE 39 Ca 0.03 -0.43 0.27 0.00 0.56 0.00 0.00 62.75 63.18 2ctj n ILE 39 Cb 0.67 -1.74 0.72 0.00 -0.75 0.00 0.00 39.64 38.54 2ctj n ILE 39 CO 0.00 0.00 0.00 0.08 0.56 0.00 0.00 176.55 177.19 2ctj h ARG 40 N -0.54 0.00 -0.17 0.38 0.11 -1.11 0.47 114.38 113.52 2ctj h ARG 40 Ca -0.57 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.46 2ctj h ARG 40 Cb 1.72 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.79 2ctj h ARG 40 CO -0.22 0.00 -0.09 0.77 0.10 0.00 0.00 179.97 180.53 2ctj h SER 41 N 0.00 0.38 0.06 0.08 0.02 -1.50 -3.11 113.55 109.49 2ctj h SER 41 Ca 0.39 -0.42 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2ctj h SER 41 Cb 1.59 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 64.03 2ctj h SER 41 CO -0.00 0.72 -0.03 0.40 -1.14 0.00 0.00 176.83 176.78 2ctj h ILE 42 N 0.05 1.14 -1.44 3.27 2.04 -1.14 -0.86 117.51 120.57 2ctj h ILE 42 Ca 0.04 -0.72 0.42 0.00 1.00 0.00 0.00 64.86 65.60 2ctj h ILE 42 Cb 0.58 1.61 -0.06 0.00 -0.74 0.00 0.00 36.82 38.21 2ctj h ILE 42 CO 0.03 0.18 1.03 0.24 0.00 0.00 0.00 178.15 179.63 2ctj h MET 43 N -0.41 0.01 0.00 2.37 2.86 -1.27 0.41 114.93 118.90 2ctj h MET 43 Ca -0.01 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2ctj h MET 43 Cb 0.36 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 2ctj h MET 43 CO 0.01 0.01 -0.32 1.49 1.06 0.00 0.00 176.91 179.16 2ctj h GLU 44 N 0.01 0.00 -0.95 1.72 4.57 -1.43 0.42 114.58 118.92 2ctj h GLU 44 Ca 0.69 0.00 0.23 0.00 -1.18 0.00 0.00 59.36 59.10 2ctj h GLU 44 Cb 2.74 0.00 -0.18 0.00 -0.16 0.00 0.00 28.75 31.15 2ctj h GLU 44 CO -0.02 0.00 -0.08 0.93 -1.18 0.00 0.00 179.01 178.65 2ctj h GLU 45 N -0.78 0.02 -0.44 1.92 4.39 -0.53 0.52 114.58 119.68 2ctj h GLU 45 Ca 0.00 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 2ctj h GLU 45 Cb 0.32 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 2ctj h GLU 45 CO 0.00 0.01 0.27 0.00 -1.16 0.00 0.00 179.01 178.13 2ctj n GLY 47 N -1.22 1.72 0.00 0.00 0.00 0.18 -4.93 105.19 100.95 2ctj n GLY 47 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 3.87 -0.02 0.00 0.14 -4.85 105.19 104.33 2ctj n GLY 48 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 4.73 -0.02 1.61 -7.23 -0.89 -4.98 120.40 113.61 2ctj s VAL 49 Ca 0.00 0.74 0.01 0.00 -1.81 0.00 0.00 61.98 60.92 2ctj s VAL 49 Cb 0.00 -3.75 -0.03 0.00 0.56 0.00 0.00 36.38 33.15 2ctj s VAL 49 CO 0.00 -0.65 -0.02 -1.00 -0.31 0.00 0.00 175.10 173.12 2ctj s HIS 50 N -2.54 3.03 0.02 2.82 0.09 -0.80 -4.59 115.29 113.32 2ctj s HIS 50 Ca 0.53 0.07 0.08 0.00 -0.00 0.00 0.00 55.06 55.73 2ctj s HIS 50 Cb -0.10 -1.68 -0.02 0.00 -0.00 0.00 0.00 32.58 30.77 2ctj s HIS 50 CO 0.35 0.42 -0.23 0.42 -0.00 0.00 0.00 174.74 175.70 2ctj s ILE 51 N -0.99 1.84 -0.15 0.60 1.01 -1.26 -0.40 121.20 121.85 2ctj s ILE 51 Ca 0.17 -1.15 -0.01 0.00 0.00 0.00 0.00 60.65 59.66 2ctj s ILE 51 Cb -0.11 -1.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.78 2ctj s ILE 51 CO 0.07 0.37 -0.11 -1.00 0.00 0.00 0.00 174.94 174.28 2ctj s HIS 52 N -0.69 2.86 -0.19 3.97 3.76 0.27 -4.98 115.29 120.30 2ctj s HIS 52 Ca 0.09 -0.65 0.00 0.00 -0.15 0.00 0.00 55.06 54.36 2ctj s HIS 52 Cb -0.09 -1.89 0.04 0.00 1.11 0.00 0.00 32.58 31.75 2ctj s HIS 52 CO 0.01 -0.24 -0.09 -0.06 -0.85 0.00 0.00 174.74 173.51 2ctj s PHE 53 N 0.51 2.20 0.75 1.40 0.08 -1.26 -2.56 117.98 119.10 2ctj s PHE 53 Ca -0.08 -1.42 -0.11 0.00 0.12 0.00 0.00 56.93 55.44 2ctj s PHE 53 Cb -0.15 -1.54 0.05 0.00 -0.57 0.00 0.00 43.02 40.80 2ctj s PHE 53 CO 0.04 -0.70 1.10 -1.25 -0.10 0.00 0.00 175.22 174.30 2ctj s PRO 54 N 1.47 2.34 0.57 0.24 0.04 -1.26 -5.04 135.00 133.36 2ctj s PRO 54 Ca -0.00 1.21 -0.08 0.00 0.04 0.00 0.00 61.00 62.17 2ctj s PRO 54 Cb -0.16 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 2ctj s PRO 54 CO -0.08 -1.58 0.92 0.54 0.04 0.00 0.00 177.00 176.84 2ctj s VAL 55 N -2.80 4.51 0.02 -0.36 0.11 -1.26 -4.94 120.40 115.68 2ctj s VAL 55 Ca 0.62 0.44 -0.26 0.00 -2.93 0.00 0.00 61.98 59.85 2ctj s VAL 55 Cb -0.18 -3.77 -0.17 0.00 -1.53 0.00 0.00 36.38 30.73 2ctj s VAL 55 CO 0.53 -0.88 1.34 -0.33 -3.33 0.00 0.00 175.10 172.44 2ctj h GLU 56 N -0.12 -0.38 -0.60 1.54 3.07 -1.95 -3.20 114.58 112.95 2ctj h GLU 56 Ca -0.45 0.03 0.12 0.00 -0.50 0.00 0.00 59.36 58.55 2ctj h GLU 56 Cb 1.21 0.09 -0.12 0.00 -0.84 0.00 0.00 28.75 29.09 2ctj h GLU 56 CO 0.62 -0.09 -0.24 0.78 -1.40 0.00 0.00 179.01 178.69 2ctj h GLY 57 N -0.66 0.21 -0.24 -3.84 0.00 -1.99 0.12 103.07 96.67 2ctj h GLY 57 Ca -0.04 0.31 0.26 0.00 0.00 0.00 0.00 47.33 47.85 2ctj h GLY 57 CO 0.07 -0.23 0.54 0.23 0.00 0.00 0.00 176.54 177.14 2ctj h SER 58 N -0.08 0.56 -1.14 0.19 0.87 -1.97 -3.45 113.55 108.53 2ctj h SER 58 Ca 0.27 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.99 2ctj h SER 58 Cb 0.51 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2ctj h SER 58 CO -0.66 0.03 0.00 0.61 -0.53 0.00 0.00 176.83 176.28 2ctj n GLY 59 N -1.31 0.66 2.96 5.77 0.00 0.43 -5.08 105.19 108.62 2ctj n GLY 59 Ca 0.27 -0.39 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.53 2.29 -0.41 1.61 0.15 -1.26 -5.01 113.70 108.55 2ctj s SER 60 Ca 0.00 -0.36 0.05 0.00 0.70 0.00 0.00 55.95 56.34 2ctj s SER 60 Cb 0.00 -0.94 0.56 0.00 -1.71 0.00 0.00 66.02 63.92 2ctj s SER 60 CO 0.00 -0.08 1.70 0.47 1.20 0.00 0.00 173.24 176.53 2ctj n ASP 61 N 4.73 3.88 -4.41 5.45 9.92 -1.26 -4.62 116.55 130.23 2ctj n ASP 61 Ca -0.15 -3.73 -0.33 0.00 -0.53 0.00 0.00 54.79 50.05 2ctj n ASP 61 Cb 0.50 -0.74 -0.14 0.00 -0.64 0.00 0.00 41.12 40.10 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 -3.60 3.23 -0.17 -3.53 2.01 -1.26 -1.97 115.64 110.35 2ctj s THR 62 Ca 0.53 -0.61 -0.04 0.00 0.31 0.00 0.00 61.69 61.88 2ctj s THR 62 Cb 0.45 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 2ctj s THR 62 CO 0.04 0.53 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.79 2ctj s VAL 63 N 0.21 3.97 -0.19 3.82 1.01 -1.03 -4.38 120.40 123.82 2ctj s VAL 63 Ca -0.07 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 2ctj s VAL 63 Cb -0.15 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 2ctj s VAL 63 CO 0.05 0.47 0.00 -0.69 0.00 0.00 0.00 175.10 174.93 2ctj s VAL 64 N 0.56 4.02 0.02 2.92 1.01 -1.06 -1.78 120.40 126.08 2ctj s VAL 64 Ca -0.02 -0.30 0.06 0.00 0.00 0.00 0.00 61.98 61.73 2ctj s VAL 64 Cb -0.14 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 2ctj s VAL 64 CO 0.02 0.44 -0.18 -0.63 0.00 0.00 0.00 175.10 174.75 2ctj s ILE 65 N 0.87 2.76 0.07 2.22 1.01 -0.87 0.96 121.20 128.23 2ctj s ILE 65 Ca 0.01 -1.09 0.09 0.00 0.00 0.00 0.00 60.65 59.66 2ctj s ILE 65 Cb -0.14 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.17 2ctj s ILE 65 CO 0.02 0.41 -0.24 -0.13 0.00 0.00 0.00 174.94 175.00 2ctj s ARG 66 N -1.21 1.47 0.00 2.79 0.52 0.47 -2.64 118.95 120.35 2ctj s ARG 66 Ca 0.13 -1.12 0.00 0.00 -0.52 0.00 0.00 55.73 54.22 2ctj s ARG 66 Cb -0.10 -1.72 0.00 0.00 0.52 0.00 0.00 34.95 33.65 2ctj s ARG 66 CO 0.04 0.43 0.00 0.41 0.02 0.00 0.00 175.30 176.19 2ctj n GLY 67 N 1.49 1.01 3.70 -3.53 0.00 -1.25 -1.91 105.19 104.69 2ctj n GLY 67 Ca -0.18 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.47 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 -1.26 4.29 0.16 1.61 0.04 -1.26 -0.87 135.00 137.70 2ctj s PRO 68 Ca 0.00 2.02 -0.26 0.00 0.04 0.00 0.00 61.00 62.81 2ctj s PRO 68 Cb 0.00 -3.49 -0.01 0.00 0.04 0.00 0.00 34.50 31.05 2ctj s PRO 68 CO 0.00 -0.55 1.39 -1.13 0.04 0.00 0.00 177.00 176.75 2ctj n SER 69 N 4.99 -0.88 -0.24 6.66 3.41 -1.26 0.88 113.62 127.18 2ctj n SER 69 Ca 0.13 1.60 0.22 0.00 -0.26 0.00 0.00 58.87 60.55 2ctj n SER 69 Cb 0.43 -0.24 0.41 0.00 -0.26 0.00 0.00 64.21 64.55 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 -5.16 0.21 -0.08 4.04 2.88 -1.26 0.20 113.62 114.45 2ctj n SER 70 Ca 0.03 1.23 -0.21 0.00 -1.33 0.00 0.00 58.87 58.60 2ctj n SER 70 Cb 0.26 -0.58 -0.12 0.00 -0.75 0.00 0.00 64.21 63.02 2ctj n SER 70 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2ctj h ASP 71 N 0.00 0.07 -1.04 -3.46 1.82 0.13 -3.33 116.42 110.62 2ctj h ASP 71 Ca 0.60 -0.65 0.30 0.00 -0.39 0.00 0.00 57.03 56.89 2ctj h ASP 71 Cb 1.57 -0.02 -0.13 0.00 0.68 0.00 0.00 39.33 41.42 2ctj h ASP 71 CO -0.59 1.45 0.62 0.58 -1.61 0.00 0.00 179.24 179.69 2ctj h VAL 72 N -0.85 0.38 -0.40 2.25 2.07 0.23 0.76 116.25 120.69 2ctj h VAL 72 Ca -0.29 -0.13 -0.09 0.00 0.82 0.00 0.00 66.70 67.00 2ctj h VAL 72 Cb 1.36 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2ctj h VAL 72 CO -0.13 0.07 -0.12 1.05 0.02 0.00 0.00 177.57 178.46 2ctj h GLU 73 N 0.39 0.72 0.04 1.57 -0.00 -0.77 -1.24 114.58 115.28 2ctj h GLU 73 Ca 0.70 -0.24 -0.22 0.00 -0.00 0.00 0.00 59.36 59.60 2ctj h GLU 73 Cb 1.61 -0.06 -0.01 0.00 -0.00 0.00 0.00 28.75 30.29 2ctj h GLU 73 CO -0.51 0.82 -1.00 0.87 -0.00 0.00 0.00 179.01 179.19 2ctj h LYS 74 N 0.66 0.21 -0.20 1.06 1.57 0.19 -2.81 116.57 117.25 2ctj h LYS 74 Ca 0.11 -0.28 -0.14 0.00 -1.87 0.00 0.00 60.65 58.48 2ctj h LYS 74 Cb 0.58 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 2ctj h LYS 74 CO 0.04 1.05 -0.45 0.00 -0.57 0.00 0.00 179.45 179.51 2ctj h ALA 75 N 0.84 0.84 0.13 3.86 0.00 -0.15 -2.52 119.26 122.26 2ctj h ALA 75 Ca -0.07 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 2ctj h ALA 75 Cb 1.68 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2ctj h ALA 75 CO 0.16 0.65 -0.06 -0.22 0.00 0.00 0.00 179.25 179.78 2ctj h LYS 76 N 0.41 -0.16 -0.26 0.00 3.64 -1.27 -2.19 116.57 116.74 2ctj h LYS 76 Ca 0.03 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.49 2ctj h LYS 76 Cb 0.95 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 2ctj h LYS 76 CO 0.08 0.28 0.22 1.57 -2.27 0.00 0.00 179.45 179.33 2ctj h LYS 77 N -0.71 0.00 0.05 1.90 2.10 -1.55 -0.77 116.57 117.60 2ctj h LYS 77 Ca -0.02 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.36 2ctj h LYS 77 Cb 0.53 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.88 2ctj h LYS 77 CO 0.03 0.00 -1.12 1.96 -2.00 0.00 0.00 179.45 178.32 2ctj h GLN 78 N 0.00 0.62 -0.49 0.07 4.20 -1.39 -2.87 115.11 115.25 2ctj h GLN 78 Ca 0.12 -0.74 -0.08 0.00 0.06 0.00 0.00 58.65 58.01 2ctj h GLN 78 Cb 0.55 0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.54 2ctj h GLN 78 CO -0.00 1.32 0.01 1.25 -0.67 0.00 0.00 178.83 180.73 2ctj h LEU 79 N 0.32 0.85 -0.74 1.46 5.85 -0.52 -2.37 115.31 120.16 2ctj h LEU 79 Ca -0.15 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.22 2ctj h LEU 79 Cb 1.78 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.55 2ctj h LEU 79 CO 0.21 0.95 0.26 -0.07 -0.34 0.00 0.00 178.44 179.45 2ctj h LEU 80 N 0.73 1.05 -0.51 2.25 4.07 -1.36 0.09 115.31 121.63 2ctj h LEU 80 Ca 0.14 -0.19 -0.01 0.00 0.08 0.00 0.00 57.88 57.89 2ctj h LEU 80 Cb 0.51 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.95 2ctj h LEU 80 CO 0.02 0.96 0.27 -0.74 -1.08 0.00 0.00 178.44 177.87 2ctj h HIS 81 N 1.08 0.72 0.31 1.13 2.76 -1.36 -1.63 115.15 118.15 2ctj h HIS 81 Ca 0.24 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.37 2ctj h HIS 81 Cb 0.27 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.00 2ctj h HIS 81 CO 0.02 0.55 -0.15 -0.07 -1.30 0.00 0.00 177.93 176.98 2ctj h LEU 82 N 0.69 -0.35 -0.95 0.26 3.38 -1.20 0.38 115.31 117.51 2ctj h LEU 82 Ca 0.18 0.01 0.25 0.00 0.09 0.00 0.00 57.88 58.41 2ctj h LEU 82 Cb 0.08 0.09 -0.17 0.00 0.09 0.00 0.00 40.66 40.74 2ctj h LEU 82 CO -0.03 -0.11 0.02 0.00 0.09 0.00 0.00 178.44 178.42 2ctj h ALA 83 N -1.53 1.09 -0.20 1.53 0.00 -1.05 0.39 119.26 119.50 2ctj h ALA 83 Ca -0.04 0.32 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 2ctj h ALA 83 Cb 0.32 0.57 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 2ctj h ALA 83 CO 0.07 -0.53 -0.24 0.93 0.00 0.00 0.00 179.25 179.47 2ctj h GLU 84 N 0.03 0.51 0.51 0.00 4.39 -1.36 -3.28 114.58 115.38 2ctj h GLU 84 Ca 0.56 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.96 2ctj h GLU 84 Cb 1.13 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.78 2ctj h GLU 84 CO -0.88 0.88 -0.46 0.93 -1.16 0.00 0.00 179.01 178.32 2ctj h GLU 85 N 0.17 -0.92 -0.88 2.33 4.39 0.19 -2.25 114.58 117.61 2ctj h GLU 85 Ca 0.03 0.06 0.34 0.00 0.34 0.00 0.00 59.36 60.12 2ctj h GLU 85 Cb 0.81 0.21 -0.16 0.00 -0.10 0.00 0.00 28.75 29.51 2ctj h GLU 85 CO 0.06 -0.62 0.35 1.63 -1.16 0.00 0.00 179.01 179.28 2ctj n LYS 86 N -5.55 -0.06 -1.80 2.33 4.76 0.59 -4.31 118.16 114.12 2ctj n LYS 86 Ca -0.12 1.24 -0.42 0.00 -2.87 0.00 0.00 58.31 56.14 2ctj n LYS 86 Cb 0.44 -2.15 -0.03 0.00 -1.84 0.00 0.00 35.03 31.45 2ctj n LYS 86 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2ctj s GLN 87 N -5.47 4.16 -0.48 1.97 -0.21 -0.85 -4.96 119.66 113.82 2ctj s GLN 87 Ca -0.09 2.52 -0.12 0.00 0.02 0.00 0.00 55.36 57.69 2ctj s GLN 87 Cb 0.29 -3.13 0.11 0.00 1.00 0.00 0.00 33.01 31.27 2ctj s GLN 87 CO 0.68 -0.71 0.37 0.95 -2.12 0.00 0.00 175.29 174.47 2ctj s THR 88 N 1.25 4.63 0.25 -0.19 -4.23 -1.26 -5.02 115.64 111.07 2ctj s THR 88 Ca 0.73 -1.52 0.07 0.00 -1.18 0.00 0.00 61.69 59.80 2ctj s THR 88 Cb -0.47 -3.93 -0.04 0.00 1.34 0.00 0.00 72.50 69.40 2ctj s THR 88 CO 0.32 -0.71 0.16 -0.75 -0.54 0.00 0.00 174.62 173.10 2ctj s LYS 89 N 1.48 2.83 -0.10 3.99 2.20 -1.26 -5.12 119.74 123.75 2ctj s LYS 89 Ca 0.04 -1.10 0.04 0.00 -0.36 0.00 0.00 55.97 54.58 2ctj s LYS 89 Cb -0.26 -2.50 -0.00 0.00 -1.51 0.00 0.00 37.83 33.55 2ctj s LYS 89 CO 0.02 0.40 -0.23 0.45 -0.36 0.00 0.00 175.35 175.63 2ctj s SER 90 N -3.79 3.19 0.01 1.43 0.15 -1.26 -5.10 113.70 108.33 2ctj s SER 90 Ca 0.33 -0.53 -0.07 0.00 0.70 0.00 0.00 55.95 56.38 2ctj s SER 90 Cb -0.08 -1.42 0.02 0.00 -1.71 0.00 0.00 66.02 62.84 2ctj s SER 90 CO 0.24 0.16 0.31 0.61 1.20 0.00 0.00 173.24 175.76 2ctj n GLY 91 N 3.50 0.68 3.64 9.45 0.00 -1.26 -5.17 105.19 116.04 2ctj n GLY 91 Ca -0.19 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.63 2ctj n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ctj s PRO 92 N -2.01 -0.26 0.90 1.61 0.04 -1.26 -5.05 135.00 128.98 2ctj s PRO 92 Ca 0.07 0.28 -0.14 0.00 0.04 0.00 0.00 61.00 61.26 2ctj s PRO 92 Cb -0.00 -1.68 0.14 0.00 0.04 0.00 0.00 34.50 33.00 2ctj s PRO 92 CO 0.00 -3.14 1.21 -1.12 0.04 0.00 0.00 177.00 173.99 2ctj s SER 93 N -3.61 3.65 -0.08 6.66 0.01 -1.26 -5.10 113.70 113.97 2ctj s SER 93 Ca 0.67 0.66 -0.05 0.00 1.31 0.00 0.00 55.95 58.54 2ctj s SER 93 Cb -0.15 -1.02 0.03 0.00 0.21 0.00 0.00 66.02 65.09 2ctj s SER 93 CO 0.57 -2.43 0.19 -0.55 0.41 0.00 0.00 173.24 171.43 2ctj s SER 94 N -4.51 -0.19 0.00 2.44 0.15 -1.26 -5.32 113.70 105.01 2ctj s SER 94 Ca 0.66 0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.72 2ctj s SER 94 Cb -0.10 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 2ctj s SER 94 CO 0.52 -0.11 0.07 0.61 1.20 0.00 0.00 173.24 175.52