#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 0.15 0.27 1.61 0.01 -1.26 -5.18 113.70 109.30 2ctj s SER 2 Ca 0.00 -1.34 0.00 0.00 1.31 0.00 0.00 55.95 55.92 2ctj s SER 2 Cb 0.00 0.38 -0.03 0.00 0.21 0.00 0.00 66.02 66.59 2ctj s SER 2 CO 0.00 -0.85 0.27 -0.44 0.41 0.00 0.00 173.24 172.63 2ctj s SER 3 N -3.14 0.75 0.00 2.44 0.01 -1.26 -5.06 113.70 107.44 2ctj s SER 3 Ca 0.36 -1.48 0.00 0.00 1.31 0.00 0.00 55.95 56.14 2ctj s SER 3 Cb 0.07 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.80 2ctj s SER 3 CO 0.11 -1.02 0.00 0.61 0.41 0.00 0.00 173.24 173.35 2ctj n GLY 4 N -0.44 0.09 3.53 3.44 0.00 -1.26 -5.10 105.19 105.45 2ctj n GLY 4 Ca 0.03 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.12 6.28 0.05 1.61 0.01 -1.26 -5.03 113.70 114.25 2ctj s SER 5 Ca 0.00 -0.23 -0.23 0.00 1.31 0.00 0.00 55.95 56.80 2ctj s SER 5 Cb 0.00 -2.26 0.05 0.00 0.21 0.00 0.00 66.02 64.02 2ctj s SER 5 CO 0.00 -0.55 0.54 -0.55 0.41 0.00 0.00 173.24 173.09 2ctj s SER 6 N 1.82 -0.46 -0.16 2.44 0.15 -1.26 -5.18 113.70 111.05 2ctj s SER 6 Ca 0.18 0.18 -0.28 0.00 0.70 0.00 0.00 55.95 56.72 2ctj s SER 6 Cb -0.16 0.51 0.08 0.00 -1.71 0.00 0.00 66.02 64.74 2ctj s SER 6 CO 0.14 -0.74 0.78 -0.83 1.20 0.00 0.00 173.24 173.79 2ctj s GLY 7 N -2.02 -0.47 -0.28 9.45 0.00 -1.26 -5.14 107.32 107.60 2ctj s GLY 7 Ca -0.05 1.79 -0.02 0.00 0.00 0.00 0.00 44.72 46.44 2ctj s GLY 7 CO -0.02 1.30 0.09 -0.56 0.00 0.00 0.00 173.10 173.91 2ctj s SER 8 N -0.55 3.63 -1.01 1.64 0.01 -1.26 -5.03 113.70 111.13 2ctj s SER 8 Ca -0.05 -1.35 -0.03 0.00 1.31 0.00 0.00 55.95 55.84 2ctj s SER 8 Cb -0.02 -0.66 0.23 0.00 0.21 0.00 0.00 66.02 65.78 2ctj s SER 8 CO 0.04 -0.40 2.15 2.30 0.41 0.00 0.00 173.24 177.75 2ctj n ILE 9 N 5.01 5.10 -4.13 1.44 -5.35 -1.26 -4.94 119.36 115.23 2ctj n ILE 9 Ca -0.05 -4.84 -0.10 0.00 -0.27 0.00 0.00 62.75 57.49 2ctj n ILE 9 Cb 0.43 -1.66 -0.10 0.00 -1.74 0.00 0.00 39.64 36.57 2ctj n ILE 9 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2ctj s GLN 10 N -3.02 0.71 -0.00 6.28 -0.21 -1.26 -5.16 119.66 117.00 2ctj s GLN 10 Ca 0.48 -1.16 -0.30 0.00 0.02 0.00 0.00 55.36 54.40 2ctj s GLN 10 Cb 0.25 -0.14 0.11 0.00 1.00 0.00 0.00 33.01 34.24 2ctj s GLN 10 CO -0.18 -0.02 1.24 0.21 -2.12 0.00 0.00 175.29 174.42 2ctj s LYS 11 N -3.27 0.51 0.02 2.91 2.20 -1.26 -5.18 119.74 115.66 2ctj s LYS 11 Ca 0.05 -0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.39 2ctj s LYS 11 Cb 0.02 0.17 -0.01 0.00 -1.51 0.00 0.00 37.83 36.50 2ctj s LYS 11 CO -0.04 -0.23 -0.03 0.34 -0.36 0.00 0.00 175.35 175.03 2ctj s ASP 12 N -2.93 0.27 -0.21 1.43 2.15 -1.26 -5.14 116.67 110.98 2ctj s ASP 12 Ca 0.14 -0.36 -0.04 0.00 0.43 0.00 0.00 52.55 52.72 2ctj s ASP 12 Cb 0.04 0.06 0.11 0.00 -0.30 0.00 0.00 42.92 42.82 2ctj s ASP 12 CO -0.03 -0.19 0.32 -0.76 -0.17 0.00 0.00 175.17 174.33 2ctj s LEU 13 N -1.04 -0.42 0.20 -1.34 1.02 -1.26 -5.15 118.68 110.69 2ctj s LEU 13 Ca -0.10 0.23 -0.23 0.00 0.02 0.00 0.00 54.13 54.05 2ctj s LEU 13 Cb -0.07 0.85 0.05 0.00 0.02 0.00 0.00 46.19 47.04 2ctj s LEU 13 CO -0.01 -0.29 0.81 0.00 0.02 0.00 0.00 176.35 176.88 2ctj s ALA 14 N 2.47 -1.46 0.21 4.21 0.00 -1.26 -5.05 121.76 120.88 2ctj s ALA 14 Ca 0.08 0.02 -0.18 0.00 0.00 0.00 0.00 51.96 51.87 2ctj s ALA 14 Cb -0.15 0.75 0.20 0.00 0.00 0.00 0.00 23.12 23.92 2ctj s ALA 14 CO -0.13 -0.99 1.57 -2.95 0.00 0.00 0.00 175.76 173.25 2ctj h ASN 15 N 2.00 -1.30 -0.91 0.00 7.08 -2.01 -3.42 115.58 117.02 2ctj h ASN 15 Ca -0.23 0.28 -0.45 0.00 -3.08 0.00 0.00 56.30 52.82 2ctj h ASN 15 Cb 1.25 0.67 0.09 0.00 -2.08 0.00 0.00 38.32 38.25 2ctj h ASN 15 CO 0.26 -0.30 -0.50 -0.38 -2.08 0.00 0.00 177.43 174.43 2ctj n ILE 16 N -5.46 0.98 -3.85 6.14 2.08 -1.26 -4.87 119.36 113.12 2ctj n ILE 16 Ca 0.08 -0.35 -0.36 0.00 0.56 0.00 0.00 62.75 62.68 2ctj n ILE 16 Cb 0.38 0.00 -0.13 0.00 -0.75 0.00 0.00 39.64 39.14 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 -0.91 2.89 -0.37 -1.39 0.00 0.75 -4.93 121.76 117.80 2ctj s ALA 17 Ca 0.43 -1.63 -0.21 0.00 0.00 0.00 0.00 51.96 50.55 2ctj s ALA 17 Cb -0.56 -2.01 0.01 0.00 0.00 0.00 0.00 23.12 20.56 2ctj s ALA 17 CO 0.41 -1.11 0.69 -2.00 0.00 0.00 0.00 175.76 173.75 2ctj s GLU 18 N 1.36 3.67 -0.19 0.00 -6.30 -1.26 -3.45 118.70 112.52 2ctj s GLU 18 Ca -0.02 0.10 -0.03 0.00 -2.50 0.00 0.00 54.97 52.52 2ctj s GLU 18 Cb -0.18 -3.82 0.06 0.00 0.00 0.00 0.00 34.13 30.19 2ctj s GLU 18 CO -0.00 -0.80 0.05 0.08 0.02 0.00 0.00 175.26 174.61 2ctj s VAL 19 N 2.85 0.41 0.26 3.70 1.01 -0.68 -4.99 120.40 122.96 2ctj s VAL 19 Ca 0.27 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.79 2ctj s VAL 19 Cb -0.14 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 2ctj s VAL 19 CO 0.16 -0.24 0.38 -1.83 0.00 0.00 0.00 175.10 173.58 2ctj s GLU 20 N 1.91 3.41 0.03 2.72 -1.05 -1.26 -1.80 118.70 122.65 2ctj s GLU 20 Ca -0.00 -0.76 0.02 0.00 -0.15 0.00 0.00 54.97 54.08 2ctj s GLU 20 Cb -0.17 -2.87 -0.02 0.00 -0.44 0.00 0.00 34.13 30.64 2ctj s GLU 20 CO -0.09 0.37 -0.07 0.54 0.95 0.00 0.00 175.26 176.97 2ctj s VAL 21 N -2.02 0.48 -0.02 1.83 0.11 0.54 -4.93 120.40 116.39 2ctj s VAL 21 Ca 0.36 -0.77 -0.30 0.00 -2.93 0.00 0.00 61.98 58.34 2ctj s VAL 21 Cb -0.09 -0.51 -0.06 0.00 -1.53 0.00 0.00 36.38 34.20 2ctj s VAL 21 CO 0.30 -0.21 1.50 -0.55 -3.33 0.00 0.00 175.10 172.81 2ctj s SER 22 N -1.05 6.77 -0.24 3.54 0.15 -1.26 0.20 113.70 121.80 2ctj s SER 22 Ca -0.06 2.17 -0.14 0.00 0.70 0.00 0.00 55.95 58.63 2ctj s SER 22 Cb -0.07 -2.55 0.07 0.00 -1.71 0.00 0.00 66.02 61.76 2ctj s SER 22 CO 0.00 -0.81 0.58 -0.63 1.20 0.00 0.00 173.24 173.58 2ctj s ILE 23 N 2.98 -0.01 0.37 6.45 1.01 0.11 -4.87 121.20 127.23 2ctj s ILE 23 Ca 0.67 0.04 -0.27 0.00 0.00 0.00 0.00 60.65 61.09 2ctj s ILE 23 Cb -0.33 -0.84 -0.09 0.00 0.01 0.00 0.00 42.46 41.21 2ctj s ILE 23 CO 0.27 0.01 1.20 -2.16 0.00 0.00 0.00 174.94 174.27 2ctj s PRO 24 N 1.48 4.19 0.41 2.79 0.04 -1.26 -3.15 135.00 139.50 2ctj s PRO 24 Ca -0.09 1.95 0.11 0.00 0.04 0.00 0.00 61.00 63.01 2ctj s PRO 24 Cb -0.06 -2.84 0.94 0.00 0.04 0.00 0.00 34.50 32.58 2ctj s PRO 24 CO -0.16 -0.24 1.96 0.00 0.04 0.00 0.00 177.00 178.61 2ctj h ALA 25 N 2.96 1.92 -0.58 8.56 0.00 -1.88 -0.33 119.26 129.92 2ctj h ALA 25 Ca -0.49 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 54.56 2ctj h ALA 25 Cb 1.23 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 2ctj h ALA 25 CO 0.64 -0.06 0.40 1.57 0.00 0.00 0.00 179.25 181.80 2ctj h LYS 26 N 0.52 0.13 0.15 0.00 2.10 -2.00 -1.25 116.57 116.22 2ctj h LYS 26 Ca 0.30 -0.01 -0.33 0.00 -2.00 0.00 0.00 60.65 58.62 2ctj h LYS 26 Cb 0.49 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 2ctj h LYS 26 CO -0.09 0.09 -1.63 -0.07 -2.00 0.00 0.00 179.45 175.75 2ctj h LEU 27 N 0.14 0.49 -0.71 7.07 3.38 -1.44 -3.38 115.31 120.85 2ctj h LEU 27 Ca 0.28 -0.70 0.06 0.00 0.09 0.00 0.00 57.88 57.61 2ctj h LEU 27 Cb 0.91 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.41 2ctj h LEU 27 CO -0.04 1.59 -0.42 1.41 0.09 0.00 0.00 178.44 181.07 2ctj n HIS 28 N -3.51 -0.31 -0.33 1.13 8.25 -0.47 0.20 115.22 120.17 2ctj n HIS 28 Ca -0.20 0.89 0.06 0.00 -0.26 0.00 0.00 57.72 58.22 2ctj n HIS 28 Cb 1.06 -0.55 0.22 0.00 1.12 0.00 0.00 29.99 31.84 2ctj n HIS 28 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 2ctj h ASN 29 N 0.00 0.80 0.34 0.41 4.21 -1.73 0.27 115.58 119.88 2ctj h ASN 29 Ca 0.11 0.06 -0.02 0.00 1.21 0.00 0.00 56.30 57.66 2ctj h ASN 29 Cb 0.29 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.40 2ctj h ASN 29 CO -0.67 0.41 -0.17 0.28 -1.29 0.00 0.00 177.43 176.00 2ctj h SER 30 N 0.87 -0.39 0.68 5.81 0.02 0.20 0.17 113.55 120.92 2ctj h SER 30 Ca 0.47 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 61.31 2ctj h SER 30 Cb 0.50 0.10 0.01 0.00 0.14 0.00 0.00 62.40 63.15 2ctj h SER 30 CO -0.28 -0.16 -0.32 -0.07 -1.14 0.00 0.00 176.83 174.85 2ctj h LEU 31 N -0.61 -0.77 0.37 5.07 3.38 -0.01 -3.27 115.31 119.47 2ctj h LEU 31 Ca -0.05 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2ctj h LEU 31 Cb 0.45 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2ctj h LEU 31 CO 0.08 -0.52 -0.38 0.40 0.09 0.00 0.00 178.44 178.10 2ctj h ILE 32 N -0.95 0.00 0.00 1.22 2.04 -0.53 -3.34 117.51 115.95 2ctj h ILE 32 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2ctj h ILE 32 Cb 0.71 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2ctj h ILE 32 CO 0.15 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.91 2ctj n GLY 33 N -1.42 -0.01 0.18 5.37 0.00 0.61 -3.06 105.19 106.86 2ctj n GLY 33 Ca -0.09 -2.24 -0.14 0.00 0.00 0.00 0.00 46.02 43.55 2ctj n GLY 33 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2ctj h THR 34 N 0.00 0.75 0.00 2.61 2.02 -1.93 -3.41 112.91 112.96 2ctj h THR 34 Ca 0.00 -0.42 -0.11 0.00 0.77 0.00 0.00 66.41 66.65 2ctj h THR 34 Cb 0.00 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 2ctj h THR 34 CO 0.00 0.09 -1.40 0.29 0.37 0.00 0.00 175.52 174.86 2ctj n LYS 35 N -5.16 0.17 0.00 6.66 5.02 -1.26 -5.04 118.16 118.54 2ctj n LYS 35 Ca -0.10 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 2ctj n LYS 35 Cb 0.23 -0.95 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 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 2.86 0.00 0.12 0.72 0.00 -1.26 -5.06 105.19 102.56 2ctj n GLY 36 Ca -0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 2ctj n GLY 36 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2ctj h ARG 37 N 0.00 0.19 -0.92 1.61 0.11 -1.94 -1.85 114.38 111.58 2ctj h ARG 37 Ca 0.00 -0.32 0.13 0.00 0.10 0.00 0.00 59.98 59.88 2ctj h ARG 37 Cb 0.00 0.12 -0.07 0.00 1.11 0.00 0.00 29.97 31.13 2ctj h ARG 37 CO 0.00 1.15 0.59 -0.07 0.10 0.00 0.00 179.97 181.74 2ctj h LEU 38 N -0.46 0.77 0.13 0.08 3.38 -1.78 -0.94 115.31 116.48 2ctj h LEU 38 Ca -0.28 0.04 -0.29 0.00 0.09 0.00 0.00 57.88 57.44 2ctj h LEU 38 Cb 1.63 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.26 2ctj h LEU 38 CO 0.02 0.41 -1.45 0.40 0.09 0.00 0.00 178.44 177.91 2ctj h ILE 39 N 0.82 1.03 -0.79 1.22 1.08 -1.67 -3.32 117.51 115.88 2ctj h ILE 39 Ca 0.45 -2.42 0.16 0.00 -0.39 0.00 0.00 64.86 62.66 2ctj h ILE 39 Cb 0.58 2.74 -0.10 0.00 -3.07 0.00 0.00 36.82 36.97 2ctj h ILE 39 CO -0.22 0.73 0.32 0.03 -0.69 0.00 0.00 178.15 178.32 2ctj h ARG 40 N -0.23 0.42 -0.55 2.37 2.47 -0.94 -0.01 114.38 117.91 2ctj h ARG 40 Ca -0.31 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.39 2ctj h ARG 40 Cb 1.82 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 30.01 2ctj h ARG 40 CO 0.08 0.28 0.36 0.66 0.56 0.00 0.00 179.97 181.91 2ctj h SER 41 N 0.43 0.64 -0.74 7.04 4.64 -1.33 -2.55 113.55 121.69 2ctj h SER 41 Ca 0.45 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.71 2ctj h SER 41 Cb 0.72 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.62 2ctj h SER 41 CO -0.44 0.48 0.34 0.40 -0.87 0.00 0.00 176.83 176.74 2ctj h ILE 42 N 0.75 1.24 0.00 0.95 2.04 -1.17 -0.66 117.51 120.66 2ctj h ILE 42 Ca 0.20 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 2ctj h ILE 42 Cb -0.06 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 2ctj h ILE 42 CO -0.04 0.29 -0.01 0.24 0.00 0.00 0.00 178.15 178.64 2ctj h MET 43 N 1.04 0.00 0.00 2.37 2.86 -0.72 0.16 114.93 120.64 2ctj h MET 43 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 2ctj h MET 43 Cb 0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.81 2ctj h MET 43 CO -0.03 0.01 -0.24 1.49 1.06 0.00 0.00 176.91 179.20 2ctj h GLU 44 N 0.00 0.00 -0.93 1.72 4.57 -0.99 0.20 114.58 119.15 2ctj h GLU 44 Ca -0.00 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.32 2ctj h GLU 44 Cb 0.01 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.51 2ctj h GLU 44 CO 0.00 0.00 0.55 1.05 -1.18 0.00 0.00 179.01 179.43 2ctj h GLU 45 N -0.79 0.78 -0.10 1.92 4.11 -1.12 0.15 114.58 119.53 2ctj h GLU 45 Ca 0.00 -0.05 0.01 0.00 0.07 0.00 0.00 59.36 59.39 2ctj h GLU 45 Cb 0.24 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2ctj h GLU 45 CO 0.00 0.52 0.07 0.00 0.07 0.00 0.00 179.01 179.67 2ctj n GLY 47 N -1.54 3.71 0.00 0.00 0.00 0.53 -4.62 105.19 103.28 2ctj n GLY 47 Ca -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.16 3.98 -0.02 0.00 0.67 -4.86 105.19 104.80 2ctj n GLY 48 Ca 0.00 -0.05 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 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 3.13 -0.38 1.61 -7.23 -1.05 -4.85 120.40 111.62 2ctj s VAL 49 Ca 0.00 -1.06 0.03 0.00 -1.81 0.00 0.00 61.98 59.14 2ctj s VAL 49 Cb 0.00 -3.07 0.11 0.00 0.56 0.00 0.00 36.38 33.98 2ctj s VAL 49 CO 0.00 -0.03 0.12 -1.00 -0.31 0.00 0.00 175.10 173.88 2ctj s HIS 50 N -2.34 3.29 0.28 2.82 0.09 -0.14 -4.75 115.29 114.55 2ctj s HIS 50 Ca 0.52 -2.87 -0.29 0.00 -0.00 0.00 0.00 55.06 52.43 2ctj s HIS 50 Cb -0.09 -2.70 -0.09 0.00 -0.00 0.00 0.00 32.58 29.70 2ctj s HIS 50 CO 0.32 -0.88 1.00 0.42 -0.00 0.00 0.00 174.74 175.59 2ctj s ILE 51 N 0.67 3.89 -0.13 0.60 1.01 -1.26 -2.38 121.20 123.60 2ctj s ILE 51 Ca 0.13 1.80 -0.01 0.00 0.00 0.00 0.00 60.65 62.57 2ctj s ILE 51 Cb -0.21 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.14 2ctj s ILE 51 CO -0.08 0.35 -0.10 -1.00 0.00 0.00 0.00 174.94 174.12 2ctj s HIS 52 N -1.29 2.88 -0.30 3.97 3.76 0.26 -4.99 115.29 119.59 2ctj s HIS 52 Ca 0.45 -0.48 0.02 0.00 -0.15 0.00 0.00 55.06 54.89 2ctj s HIS 52 Cb -0.26 -1.87 0.09 0.00 1.11 0.00 0.00 32.58 31.65 2ctj s HIS 52 CO 0.33 -0.12 0.02 -0.06 -0.85 0.00 0.00 174.74 174.06 2ctj s PHE 53 N 0.27 2.79 0.83 1.40 0.40 -1.26 -2.94 117.98 119.46 2ctj s PHE 53 Ca -0.07 -2.26 -0.11 0.00 -0.60 0.00 0.00 56.93 53.89 2ctj s PHE 53 Cb -0.15 -2.14 0.09 0.00 0.51 0.00 0.00 43.02 41.33 2ctj s PHE 53 CO 0.04 -0.87 1.09 -1.25 0.70 0.00 0.00 175.22 174.93 2ctj s PRO 54 N 1.25 1.80 0.02 0.24 0.04 -1.26 -5.06 135.00 132.03 2ctj s PRO 54 Ca 0.04 1.01 0.02 0.00 0.04 0.00 0.00 61.00 62.11 2ctj s PRO 54 Cb -0.19 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 2ctj s PRO 54 CO -0.12 -1.92 0.03 0.08 0.04 0.00 0.00 177.00 175.12 2ctj s VAL 55 N -2.92 4.32 0.28 -0.36 1.01 -1.26 -4.94 120.40 116.53 2ctj s VAL 55 Ca 0.62 -0.62 0.12 0.00 0.00 0.00 0.00 61.98 62.11 2ctj s VAL 55 Cb -0.17 -2.97 0.29 0.00 0.00 0.00 0.00 36.38 33.52 2ctj s VAL 55 CO 0.56 0.31 1.23 -1.84 0.00 0.00 0.00 175.10 175.37 2ctj n GLU 56 N 1.14 -0.05 -0.24 2.72 0.28 -1.26 0.81 120.64 124.04 2ctj n GLU 56 Ca -0.13 1.10 0.02 0.00 -0.16 0.00 0.00 57.16 57.99 2ctj n GLU 56 Cb 0.52 -1.91 0.10 0.00 1.43 0.00 0.00 31.44 31.58 2ctj n GLU 56 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 2ctj h GLY 57 N 0.00 0.59 1.30 -1.84 0.00 -1.99 0.11 103.07 101.24 2ctj h GLY 57 Ca 0.61 0.20 -0.10 0.00 0.00 0.00 0.00 47.33 48.04 2ctj h GLY 57 CO -0.64 -0.27 -0.11 1.76 0.00 0.00 0.00 176.54 177.28 2ctj h SER 58 N 0.03 0.81 -1.04 0.19 0.02 0.00 -3.47 113.55 110.09 2ctj h SER 58 Ca 0.35 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2ctj h SER 58 Cb 0.56 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2ctj h SER 58 CO -0.70 0.94 0.00 0.61 -1.14 0.00 0.00 176.83 176.54 2ctj n GLY 59 N -0.41 0.74 2.94 -3.77 0.00 0.39 -5.06 105.19 100.03 2ctj n GLY 59 Ca 0.01 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.60 3.79 -0.61 1.61 0.15 -1.26 -5.00 113.70 109.78 2ctj s SER 60 Ca 0.00 -1.14 -0.02 0.00 0.70 0.00 0.00 55.95 55.49 2ctj s SER 60 Cb 0.00 -1.17 0.33 0.00 -1.71 0.00 0.00 66.02 63.46 2ctj s SER 60 CO 0.00 -0.23 2.13 0.47 1.20 0.00 0.00 173.24 176.81 2ctj n ASP 61 N 4.68 7.25 -3.80 5.45 8.00 -1.26 -4.64 116.55 132.22 2ctj n ASP 61 Ca -0.12 -3.57 -0.14 0.00 0.71 0.00 0.00 54.79 51.67 2ctj n ASP 61 Cb 0.44 -1.05 -0.15 0.00 -0.02 0.00 0.00 41.12 40.34 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 -4.01 -0.04 -0.43 -3.53 2.01 -1.19 0.04 115.64 108.50 2ctj s THR 62 Ca 0.54 0.15 -0.19 0.00 0.31 0.00 0.00 61.69 62.50 2ctj s THR 62 Cb 0.42 -0.06 0.02 0.00 0.01 0.00 0.00 72.50 72.90 2ctj s THR 62 CO -0.13 0.06 0.54 -0.69 -0.69 0.00 0.00 174.62 173.72 2ctj s VAL 63 N 0.71 4.95 -0.29 3.82 1.01 0.13 -4.65 120.40 126.08 2ctj s VAL 63 Ca -0.06 -0.09 -0.20 0.00 0.00 0.00 0.00 61.98 61.62 2ctj s VAL 63 Cb -0.09 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 2ctj s VAL 63 CO -0.02 -0.50 0.64 -0.69 0.00 0.00 0.00 175.10 174.52 2ctj s VAL 64 N 2.49 4.94 -0.06 2.92 1.01 -1.15 -0.33 120.40 130.21 2ctj s VAL 64 Ca 0.18 0.94 -0.04 0.00 0.00 0.00 0.00 61.98 63.05 2ctj s VAL 64 Cb -0.16 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 2ctj s VAL 64 CO 0.16 -0.11 0.12 -0.63 0.00 0.00 0.00 175.10 174.64 2ctj s ILE 65 N 2.61 5.14 0.03 2.22 1.01 -0.75 -0.57 121.20 130.89 2ctj s ILE 65 Ca 0.26 -0.08 0.06 0.00 0.00 0.00 0.00 60.65 60.88 2ctj s ILE 65 Cb -0.15 -3.29 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 2ctj s ILE 65 CO 0.11 0.49 -0.17 -0.13 0.00 0.00 0.00 174.94 175.24 2ctj s ARG 66 N -1.38 1.15 0.00 2.79 0.52 -1.00 -1.69 118.95 119.34 2ctj s ARG 66 Ca 0.19 -0.77 0.00 0.00 -0.52 0.00 0.00 55.73 54.63 2ctj s ARG 66 Cb -0.12 -1.18 0.00 0.00 0.52 0.00 0.00 34.95 34.17 2ctj s ARG 66 CO 0.09 0.30 0.00 0.41 0.02 0.00 0.00 175.30 176.13 2ctj n GLY 67 N 2.06 0.71 3.63 -3.53 0.00 -1.22 -0.96 105.19 105.87 2ctj n GLY 67 Ca -0.17 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 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 3.77 0.27 1.61 0.04 -1.26 -0.18 135.00 137.24 2ctj s PRO 68 Ca 0.00 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.67 2ctj s PRO 68 Cb 0.00 -4.04 0.63 0.00 0.04 0.00 0.00 34.50 31.13 2ctj s PRO 68 CO 0.00 -1.33 1.37 -1.13 0.04 0.00 0.00 177.00 175.95 2ctj n SER 69 N 8.54 -0.13 -0.30 6.66 3.41 -1.26 0.13 113.62 130.66 2ctj n SER 69 Ca 0.19 1.48 0.13 0.00 -0.26 0.00 0.00 58.87 60.42 2ctj n SER 69 Cb 0.45 -0.53 0.29 0.00 -0.26 0.00 0.00 64.21 64.17 2ctj n SER 69 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2ctj h SER 70 N 0.00 -0.09 0.11 4.04 0.02 -1.99 0.30 113.55 115.94 2ctj h SER 70 Ca 0.51 0.21 -0.28 0.00 -0.84 0.00 0.00 61.79 61.39 2ctj h SER 70 Cb 1.03 0.31 -0.01 0.00 0.14 0.00 0.00 62.40 63.86 2ctj h SER 70 CO -0.83 -0.20 -1.48 0.44 -1.14 0.00 0.00 176.83 173.62 2ctj h ASP 71 N 0.16 0.35 -0.76 3.07 5.19 0.75 -3.38 116.42 121.81 2ctj h ASP 71 Ca 0.56 -0.84 0.16 0.00 -0.62 0.00 0.00 57.03 56.29 2ctj h ASP 71 Cb 1.14 -0.11 -0.14 0.00 0.18 0.00 0.00 39.33 40.39 2ctj h ASP 71 CO -0.70 1.64 -0.15 0.58 -3.12 0.00 0.00 179.24 177.49 2ctj h VAL 72 N -0.31 0.26 -0.98 -1.35 2.07 0.32 0.59 116.25 116.84 2ctj h VAL 72 Ca -0.32 -0.01 0.23 0.00 0.82 0.00 0.00 66.70 67.42 2ctj h VAL 72 Cb 1.76 0.24 -0.08 0.00 -1.52 0.00 0.00 31.29 31.68 2ctj h VAL 72 CO 0.04 0.00 0.63 1.05 0.02 0.00 0.00 177.57 179.31 2ctj h GLU 73 N 0.02 0.45 0.01 1.57 4.11 -1.14 0.15 114.58 119.74 2ctj h GLU 73 Ca 0.38 -0.03 -0.26 0.00 0.07 0.00 0.00 59.36 59.51 2ctj h GLU 73 Cb 0.60 -0.10 0.02 0.00 0.50 0.00 0.00 28.75 29.77 2ctj h GLU 73 CO -0.76 0.29 -1.05 0.87 0.07 0.00 0.00 179.01 178.44 2ctj h LYS 74 N 0.46 0.66 -0.62 1.06 1.79 -0.07 -2.86 116.57 117.00 2ctj h LYS 74 Ca 0.54 -0.72 -0.05 0.00 -2.18 0.00 0.00 60.65 58.24 2ctj h LYS 74 Cb 1.27 0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 32.10 2ctj h LYS 74 CO -0.25 1.31 0.21 0.00 -1.08 0.00 0.00 179.45 179.63 2ctj h ALA 75 N 0.44 0.81 0.64 3.86 0.00 0.50 -2.51 119.26 123.00 2ctj h ALA 75 Ca -0.13 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2ctj h ALA 75 Cb 1.70 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 19.26 2ctj h ALA 75 CO 0.20 0.47 -0.31 -0.22 0.00 0.00 0.00 179.25 179.39 2ctj h LYS 76 N 0.88 -0.83 -0.93 0.00 3.64 -0.88 -0.56 116.57 117.89 2ctj h LYS 76 Ca 0.20 0.06 0.27 0.00 -1.27 0.00 0.00 60.65 59.91 2ctj h LYS 76 Cb 0.27 0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 2ctj h LYS 76 CO -0.01 -0.51 0.70 1.57 -2.27 0.00 0.00 179.45 178.93 2ctj h LYS 77 N -1.03 0.00 0.03 1.90 2.10 -1.50 0.20 116.57 118.27 2ctj h LYS 77 Ca -0.09 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.49 2ctj h LYS 77 Cb 0.70 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.04 2ctj h LYS 77 CO 0.14 0.00 -0.28 1.96 -2.00 0.00 0.00 179.45 179.27 2ctj h GLN 78 N 0.00 0.14 -0.52 0.07 4.20 -1.12 -2.98 115.11 114.90 2ctj h GLN 78 Ca 0.44 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.94 2ctj h GLN 78 Cb 1.84 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 29.66 2ctj h GLN 78 CO -0.00 1.02 0.26 1.25 -0.67 0.00 0.00 178.83 180.68 2ctj h LEU 79 N -0.65 0.67 -0.68 1.46 5.85 0.63 -2.11 115.31 120.48 2ctj h LEU 79 Ca -0.04 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.58 2ctj h LEU 79 Cb 1.14 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 2ctj h LEU 79 CO 0.05 0.60 0.43 -0.07 -0.34 0.00 0.00 178.44 179.11 2ctj h LEU 80 N 0.70 0.71 -0.53 2.25 4.07 -0.83 0.28 115.31 121.95 2ctj h LEU 80 Ca 0.18 -0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.13 2ctj h LEU 80 Cb 0.10 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.66 2ctj h LEU 80 CO -0.02 0.49 0.30 -0.74 -1.08 0.00 0.00 178.44 177.39 2ctj h HIS 81 N 0.84 0.72 0.54 1.13 2.76 -1.33 -2.70 115.15 117.12 2ctj h HIS 81 Ca 0.27 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.40 2ctj h HIS 81 Cb 0.01 -0.23 0.01 0.00 1.55 0.00 0.00 27.41 28.74 2ctj h HIS 81 CO -0.04 0.52 -0.26 -0.07 -1.30 0.00 0.00 177.93 176.78 2ctj h LEU 82 N 0.71 -0.61 -0.84 0.26 3.38 -0.91 -2.43 115.31 114.88 2ctj h LEU 82 Ca 0.19 0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.35 2ctj h LEU 82 Cb 0.03 0.16 -0.16 0.00 0.09 0.00 0.00 40.66 40.78 2ctj h LEU 82 CO -0.03 -0.20 -0.19 0.00 0.09 0.00 0.00 178.44 178.11 2ctj n ALA 83 N -2.72 0.22 -0.14 1.53 0.00 0.94 0.13 120.51 120.47 2ctj n ALA 83 Ca -0.09 0.92 -0.10 0.00 0.00 0.00 0.00 53.44 54.17 2ctj n ALA 83 Cb 0.29 -0.56 -0.01 0.00 0.00 0.00 0.00 19.45 19.16 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 0.68 0.71 0.00 4.39 -1.53 -2.99 114.58 115.84 2ctj h GLU 84 Ca 0.41 -0.20 -0.03 0.00 0.34 0.00 0.00 59.36 59.88 2ctj h GLU 84 Cb 0.65 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 29.23 2ctj h GLU 84 CO -0.86 0.75 -0.34 0.93 -1.16 0.00 0.00 179.01 178.33 2ctj h GLU 85 N 0.51 -0.92 -0.51 2.33 4.39 0.16 -3.22 114.58 117.32 2ctj h GLU 85 Ca 0.12 0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.93 2ctj h GLU 85 Cb 0.42 0.21 -0.07 0.00 -0.10 0.00 0.00 28.75 29.21 2ctj h GLU 85 CO 0.01 -0.61 -0.38 0.87 -1.16 0.00 0.00 179.01 177.75 2ctj h LYS 86 N -0.96 -0.09 -6.98 2.33 6.56 -0.43 -3.40 116.57 113.60 2ctj h LYS 86 Ca -0.10 0.01 -0.52 0.00 -1.06 0.00 0.00 60.65 58.98 2ctj h LYS 86 Cb 0.73 0.02 0.08 0.00 -0.57 0.00 0.00 32.23 32.49 2ctj h LYS 86 CO 0.16 -0.06 0.55 1.14 -2.06 0.00 0.00 179.45 179.18 2ctj s GLN 87 N -4.66 3.77 0.17 3.15 1.03 -1.13 -4.94 119.66 117.05 2ctj s GLN 87 Ca -0.08 1.99 -0.32 0.00 0.04 0.00 0.00 55.36 56.99 2ctj s GLN 87 Cb 0.07 -2.54 -0.10 0.00 0.03 0.00 0.00 33.01 30.46 2ctj s GLN 87 CO 0.40 -0.60 1.63 -0.08 -2.54 0.00 0.00 175.29 174.11 2ctj s THR 88 N -1.39 2.47 -0.04 3.63 -1.32 -1.26 -4.87 115.64 112.87 2ctj s THR 88 Ca 0.62 0.30 -0.03 0.00 -1.21 0.00 0.00 61.69 61.37 2ctj s THR 88 Cb -0.34 -3.19 -0.01 0.00 -1.51 0.00 0.00 72.50 67.45 2ctj s THR 88 CO 0.42 0.02 -0.06 0.29 -2.21 0.00 0.00 174.62 173.09 2ctj n LYS 89 N 4.20 0.13 -1.71 7.08 5.02 -1.26 -4.99 118.16 126.62 2ctj n LYS 89 Ca 0.15 0.31 -0.29 0.00 -2.02 0.00 0.00 58.31 56.46 2ctj n LYS 89 Cb 0.38 -1.00 0.12 0.00 -0.02 0.00 0.00 35.03 34.50 2ctj n LYS 89 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2ctj s SER 90 N -4.18 3.89 0.00 4.39 0.01 -1.26 -5.06 113.70 111.48 2ctj s SER 90 Ca -0.05 0.84 0.00 0.00 1.31 0.00 0.00 55.95 58.05 2ctj s SER 90 Cb 0.01 -1.34 0.00 0.00 0.21 0.00 0.00 66.02 64.89 2ctj s SER 90 CO 0.07 -2.30 0.00 0.61 0.41 0.00 0.00 173.24 172.03 2ctj n GLY 91 N -2.77 4.50 1.45 3.44 0.00 -1.26 -5.16 105.19 105.39 2ctj n GLY 91 Ca 0.08 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.61 -1.91 -2.51 1.61 -0.04 -1.26 -4.96 135.00 124.33 2ctj n PRO 92 Ca 0.00 -0.72 -0.42 0.00 -0.04 0.00 0.00 63.50 62.32 2ctj n PRO 92 Cb 0.00 -0.68 -0.03 0.00 -0.04 0.00 0.00 33.50 32.76 2ctj n PRO 92 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2ctj s SER 93 N -2.72 7.12 -0.29 3.54 1.04 -1.26 -5.01 113.70 116.12 2ctj s SER 93 Ca 0.29 1.81 -0.13 0.00 0.48 0.00 0.00 55.95 58.41 2ctj s SER 93 Cb -0.03 -2.56 0.13 0.00 0.10 0.00 0.00 66.02 63.65 2ctj s SER 93 CO 0.22 -0.50 0.77 -0.44 0.98 0.00 0.00 173.24 174.27 2ctj s SER 94 N 1.27 -0.91 0.00 7.02 0.01 -1.26 -5.36 113.70 114.47 2ctj s SER 94 Ca 0.55 1.31 0.00 0.00 1.31 0.00 0.00 55.95 59.12 2ctj s SER 94 Cb -0.25 1.84 0.00 0.00 0.21 0.00 0.00 66.02 67.83 2ctj s SER 94 CO 0.24 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.31