#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 1.57 0.15 1.61 0.01 -1.26 -5.03 113.70 110.75 2ctj s SER 2 Ca 0.00 -0.18 -0.16 0.00 1.31 0.00 0.00 55.95 56.92 2ctj s SER 2 Cb 0.00 -0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.20 2ctj s SER 2 CO 0.00 -0.30 1.81 0.77 0.41 0.00 0.00 173.24 175.94 2ctj h SER 3 N 8.40 0.44 -4.20 2.44 4.64 -2.15 -3.47 113.55 119.65 2ctj h SER 3 Ca -0.14 -0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.01 2ctj h SER 3 Cb 1.13 -0.11 0.10 0.00 -0.31 0.00 0.00 62.40 63.22 2ctj h SER 3 CO 0.22 0.32 -0.46 0.61 -0.87 0.00 0.00 176.83 176.65 2ctj n GLY 4 N -1.20 -0.12 4.01 -0.77 0.00 -1.26 -5.05 105.19 100.80 2ctj n GLY 4 Ca 0.00 0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.51 5.41 0.13 1.61 0.01 -1.26 -5.14 113.70 110.95 2ctj s SER 5 Ca 0.12 -0.46 0.01 0.00 1.31 0.00 0.00 55.95 56.92 2ctj s SER 5 Cb -0.02 -0.43 -0.04 0.00 0.21 0.00 0.00 66.02 65.74 2ctj s SER 5 CO 0.41 -1.01 0.00 -0.44 0.41 0.00 0.00 173.24 172.62 2ctj s SER 6 N -4.46 0.83 -0.48 2.44 0.01 -1.26 -5.09 113.70 105.69 2ctj s SER 6 Ca 0.58 -1.13 0.07 0.00 1.31 0.00 0.00 55.95 56.77 2ctj s SER 6 Cb -0.09 0.18 0.38 0.00 0.21 0.00 0.00 66.02 66.70 2ctj s SER 6 CO 0.36 -0.60 0.97 0.61 0.41 0.00 0.00 173.24 174.99 2ctj n GLY 7 N -0.11 5.12 3.37 3.44 0.00 -1.26 -5.06 105.19 110.68 2ctj n GLY 7 Ca -0.08 -2.51 -0.24 0.00 0.00 0.00 0.00 46.02 43.19 2ctj n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ctj s SER 8 N -3.33 2.98 0.36 1.61 1.04 -1.26 -5.16 113.70 109.94 2ctj s SER 8 Ca 0.46 -0.85 0.08 0.00 0.48 0.00 0.00 55.95 56.12 2ctj s SER 8 Cb 0.34 -0.20 -0.05 0.00 0.10 0.00 0.00 66.02 66.22 2ctj s SER 8 CO -0.13 0.04 0.09 0.27 0.98 0.00 0.00 173.24 174.48 2ctj s ILE 9 N -1.80 2.60 0.21 -1.02 -0.00 -1.26 -5.15 121.20 114.78 2ctj s ILE 9 Ca 0.17 -1.83 0.11 0.00 -0.00 0.00 0.00 60.65 59.09 2ctj s ILE 9 Cb -0.07 -2.90 -0.04 0.00 -0.00 0.00 0.00 42.46 39.44 2ctj s ILE 9 CO 0.08 -0.13 -0.19 -1.10 -0.00 0.00 0.00 174.94 173.59 2ctj s GLN 10 N -3.80 1.70 -0.44 0.37 -1.52 -1.26 -5.03 119.66 109.68 2ctj s GLN 10 Ca 0.37 -1.50 -0.05 0.00 -1.95 0.00 0.00 55.36 52.23 2ctj s GLN 10 Cb 0.01 -1.92 -0.07 0.00 -0.22 0.00 0.00 33.01 30.80 2ctj s GLN 10 CO 0.21 0.40 3.09 1.63 -0.25 0.00 0.00 175.29 180.36 2ctj n LYS 11 N 0.04 2.54 -2.22 2.91 4.01 -1.26 -4.91 118.16 119.27 2ctj n LYS 11 Ca -0.11 -1.91 -0.40 0.00 -0.51 0.00 0.00 58.31 55.38 2ctj n LYS 11 Cb 0.57 -2.18 -0.03 0.00 -0.51 0.00 0.00 35.03 32.88 2ctj n LYS 11 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2ctj s ASP 12 N 1.13 5.75 0.00 4.39 1.01 -1.26 -4.95 116.67 122.74 2ctj s ASP 12 Ca 0.62 0.34 -0.05 0.00 0.71 0.00 0.00 52.55 54.18 2ctj s ASP 12 Cb 0.33 -2.54 -0.00 0.00 1.01 0.00 0.00 42.92 41.71 2ctj s ASP 12 CO -0.11 -2.00 0.09 -0.76 0.21 0.00 0.00 175.17 172.59 2ctj s LEU 13 N 7.37 1.76 -0.06 1.23 1.43 -1.26 -5.16 118.68 124.00 2ctj s LEU 13 Ca 0.60 -0.25 0.06 0.00 -1.03 0.00 0.00 54.13 53.50 2ctj s LEU 13 Cb -0.13 0.48 -0.01 0.00 0.03 0.00 0.00 46.19 46.56 2ctj s LEU 13 CO 0.23 -0.32 -0.24 0.00 0.23 0.00 0.00 176.35 176.25 2ctj s ALA 14 N -1.27 2.12 0.03 4.21 0.00 -1.26 -5.04 121.76 120.55 2ctj s ALA 14 Ca -0.14 -1.02 -0.24 0.00 0.00 0.00 0.00 51.96 50.56 2ctj s ALA 14 Cb -0.08 -0.66 -0.17 0.00 0.00 0.00 0.00 23.12 22.21 2ctj s ALA 14 CO 0.01 0.41 1.49 -2.95 0.00 0.00 0.00 175.76 174.71 2ctj h ASN 15 N 6.08 0.02 -3.23 0.00 7.08 -2.01 -3.43 115.58 120.09 2ctj h ASN 15 Ca -0.32 -0.26 -0.58 0.00 -3.08 0.00 0.00 56.30 52.06 2ctj h ASN 15 Cb 1.18 -0.01 -0.05 0.00 -2.08 0.00 0.00 38.32 37.36 2ctj h ASN 15 CO 0.47 0.28 -0.07 -0.63 -2.08 0.00 0.00 177.43 175.40 2ctj s ILE 16 N -5.15 4.88 -0.23 6.14 -1.09 -1.26 -4.54 121.20 119.95 2ctj s ILE 16 Ca -0.15 1.14 0.02 0.00 -2.23 0.00 0.00 60.65 59.43 2ctj s ILE 16 Cb 0.04 -3.87 0.05 0.00 -1.58 0.00 0.00 42.46 37.10 2ctj s ILE 16 CO 0.67 0.49 -0.10 0.00 -1.23 0.00 0.00 174.94 174.78 2ctj s ALA 17 N -0.65 2.23 -0.37 9.38 0.00 -0.17 -4.95 121.76 127.24 2ctj s ALA 17 Ca 0.28 -1.47 -0.23 0.00 0.00 0.00 0.00 51.96 50.55 2ctj s ALA 17 Cb -0.18 -1.44 0.01 0.00 0.00 0.00 0.00 23.12 21.51 2ctj s ALA 17 CO 0.17 -1.04 0.76 -2.00 0.00 0.00 0.00 175.76 173.65 2ctj s GLU 18 N 1.27 3.70 -0.05 0.00 2.12 -1.26 -3.88 118.70 120.60 2ctj s GLU 18 Ca -0.05 0.22 0.06 0.00 0.36 0.00 0.00 54.97 55.56 2ctj s GLU 18 Cb -0.18 -3.82 -0.01 0.00 0.26 0.00 0.00 34.13 30.37 2ctj s GLU 18 CO -0.07 -0.86 -0.25 0.08 -0.54 0.00 0.00 175.26 173.62 2ctj s VAL 19 N 3.05 2.05 0.28 3.70 1.01 -0.95 -4.95 120.40 124.59 2ctj s VAL 19 Ca 0.30 -1.07 0.09 0.00 0.00 0.00 0.00 61.98 61.30 2ctj s VAL 19 Cb -0.13 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 2ctj s VAL 19 CO 0.17 0.57 0.06 -1.61 0.00 0.00 0.00 175.10 174.29 2ctj s GLU 20 N -0.21 2.41 0.10 2.72 8.01 -1.26 -1.56 118.70 128.91 2ctj s GLU 20 Ca -0.02 -1.38 -0.02 0.00 0.01 0.00 0.00 54.97 53.56 2ctj s GLU 20 Cb -0.13 -2.23 -0.04 0.00 -4.31 0.00 0.00 34.13 27.42 2ctj s GLU 20 CO 0.03 0.32 0.04 0.54 0.01 0.00 0.00 175.26 176.20 2ctj s VAL 21 N -2.31 0.15 -0.45 2.63 0.11 -0.94 -4.99 120.40 114.59 2ctj s VAL 21 Ca 0.33 -1.81 -0.14 0.00 -2.93 0.00 0.00 61.98 57.42 2ctj s VAL 21 Cb -0.06 -1.80 0.06 0.00 -1.53 0.00 0.00 36.38 33.05 2ctj s VAL 21 CO 0.21 -0.67 0.35 -0.55 -3.33 0.00 0.00 175.10 171.12 2ctj s SER 22 N -2.99 6.05 -0.04 3.54 0.15 -1.26 -2.70 113.70 116.45 2ctj s SER 22 Ca 0.16 -1.26 -0.03 0.00 0.70 0.00 0.00 55.95 55.52 2ctj s SER 22 Cb 0.07 -2.15 0.01 0.00 -1.71 0.00 0.00 66.02 62.25 2ctj s SER 22 CO -0.03 -0.58 0.11 -0.63 1.20 0.00 0.00 173.24 173.30 2ctj s ILE 23 N 1.62 -0.01 0.54 6.45 1.01 -1.01 -5.07 121.20 124.73 2ctj s ILE 23 Ca 0.04 0.03 -0.19 0.00 0.00 0.00 0.00 60.65 60.52 2ctj s ILE 23 Cb -0.23 -0.16 -0.06 0.00 0.01 0.00 0.00 42.46 42.02 2ctj s ILE 23 CO 0.07 0.01 1.13 -2.16 0.00 0.00 0.00 174.94 173.99 2ctj s PRO 24 N 0.22 3.35 0.37 2.79 0.04 -1.26 -4.19 135.00 136.32 2ctj s PRO 24 Ca -0.01 1.61 0.11 0.00 0.04 0.00 0.00 61.00 62.74 2ctj s PRO 24 Cb -0.02 -2.00 0.72 0.00 0.04 0.00 0.00 34.50 33.23 2ctj s PRO 24 CO -0.01 -0.85 1.85 0.00 0.04 0.00 0.00 177.00 178.03 2ctj h ALA 25 N 1.19 1.41 -0.08 8.56 0.00 -1.90 -2.32 119.26 126.12 2ctj h ALA 25 Ca -0.50 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.15 2ctj h ALA 25 Cb 1.26 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2ctj h ALA 25 CO 0.57 0.42 0.09 1.57 0.00 0.00 0.00 179.25 181.90 2ctj h LYS 26 N 0.12 0.00 0.07 0.00 2.10 -2.00 -2.09 116.57 114.76 2ctj h LYS 26 Ca 0.02 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.32 2ctj h LYS 26 Cb 0.55 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.85 2ctj h LYS 26 CO 0.04 0.00 -2.04 1.28 -2.00 0.00 0.00 179.45 176.73 2ctj n LEU 27 N -3.84 2.08 -0.03 7.07 4.77 -0.91 -4.35 117.00 121.79 2ctj n LEU 27 Ca -0.01 0.19 -0.02 0.00 -0.03 0.00 0.00 56.01 56.14 2ctj n LEU 27 Cb 0.19 -0.66 -0.01 0.00 -2.33 0.00 0.00 43.42 40.60 2ctj n LEU 27 CO 0.28 0.73 0.50 0.45 -1.33 0.00 0.00 177.39 178.02 2ctj h HIS 28 N 0.04 -0.23 -0.95 -1.77 3.86 -1.00 0.15 115.15 115.25 2ctj h HIS 28 Ca -0.43 0.01 0.27 0.00 -1.16 0.00 0.00 60.37 59.07 2ctj h HIS 28 Cb 2.03 0.11 -0.18 0.00 1.06 0.00 0.00 27.41 30.43 2ctj h HIS 28 CO 0.05 -0.06 0.06 0.27 0.86 0.00 0.00 177.93 179.11 2ctj n ASN 29 N -3.12 -0.07 0.16 2.45 6.94 -1.19 0.19 115.26 120.62 2ctj n ASN 29 Ca -0.00 1.62 -0.14 0.00 -0.02 0.00 0.00 54.58 56.04 2ctj n ASN 29 Cb 0.04 -0.61 -0.08 0.00 -2.36 0.00 0.00 39.78 36.77 2ctj n ASN 29 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2ctj h SER 30 N 0.00 -0.30 -0.29 0.53 0.02 -1.22 -0.99 113.55 111.29 2ctj h SER 30 Ca 0.60 -0.06 0.05 0.00 -0.84 0.00 0.00 61.79 61.54 2ctj h SER 30 Cb 1.28 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.85 2ctj h SER 30 CO -0.88 -0.13 0.01 -0.07 -1.14 0.00 0.00 176.83 174.62 2ctj h LEU 31 N -0.46 -0.09 -0.37 5.07 3.38 0.24 -2.47 115.31 120.62 2ctj h LEU 31 Ca -0.04 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.04 2ctj h LEU 31 Cb 0.35 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 2ctj h LEU 31 CO 0.06 -0.01 0.13 0.40 0.09 0.00 0.00 178.44 179.11 2ctj h ILE 32 N 0.10 0.90 0.00 1.22 2.04 -0.62 -3.27 117.51 117.88 2ctj h ILE 32 Ca 0.14 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.90 2ctj h ILE 32 Cb 0.18 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 2ctj h ILE 32 CO -0.22 0.05 0.00 0.61 0.00 0.00 0.00 178.15 178.59 2ctj n GLY 33 N -1.22 -3.63 0.16 5.37 0.00 -0.39 -2.77 105.19 102.72 2ctj n GLY 33 Ca 0.01 -2.03 -0.19 0.00 0.00 0.00 0.00 46.02 43.81 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 1.33 -0.38 2.61 1.03 -1.88 -3.34 112.91 112.28 2ctj h THR 34 Ca 0.00 -2.52 -0.28 0.00 -0.01 0.00 0.00 66.41 63.59 2ctj h THR 34 Cb 0.00 2.65 -0.24 0.00 -1.07 0.00 0.00 68.15 69.48 2ctj h THR 34 CO 0.00 0.76 -0.71 1.17 -0.01 0.00 0.00 175.52 176.73 2ctj n LYS 35 N -3.75 2.50 -4.03 0.00 3.00 -1.26 -4.97 118.16 109.65 2ctj n LYS 35 Ca -0.11 -3.67 -0.29 0.00 -0.00 0.00 0.00 58.31 54.24 2ctj n LYS 35 Cb 0.95 -1.86 -0.02 0.00 0.00 0.00 0.00 35.03 34.10 2ctj n LYS 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ctj n GLY 36 N -0.82 -0.29 0.12 3.14 0.00 -1.21 -4.89 105.19 101.25 2ctj n GLY 36 Ca 0.30 0.15 -0.25 0.00 0.00 0.00 0.00 46.02 46.21 2ctj n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ctj n ARG 37 N -4.42 0.57 0.03 1.61 1.74 -1.11 -2.65 116.66 112.43 2ctj n ARG 37 Ca -0.19 0.34 0.22 0.00 -0.77 0.00 0.00 57.85 57.45 2ctj n ARG 37 Cb 0.63 -1.55 0.71 0.00 -1.02 0.00 0.00 32.46 31.22 2ctj n ARG 37 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2ctj h LEU 38 N -1.00 0.00 0.02 0.55 3.38 -1.74 0.44 115.31 116.96 2ctj h LEU 38 Ca -0.54 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.04 2ctj h LEU 38 Cb 1.45 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.14 2ctj h LEU 38 CO -0.32 0.00 -2.36 -0.38 0.09 0.00 0.00 178.44 175.47 2ctj n ILE 39 N -3.69 1.55 -0.11 1.22 2.08 -1.23 -4.09 119.36 115.09 2ctj n ILE 39 Ca 0.10 -0.53 -0.06 0.00 0.56 0.00 0.00 62.75 62.83 2ctj n ILE 39 Cb 0.77 -1.58 0.02 0.00 -0.75 0.00 0.00 39.64 38.10 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 -0.20 0.21 -0.22 0.38 2.47 -1.03 -0.67 114.38 115.32 2ctj h ARG 40 Ca -0.57 -0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.18 2ctj h ARG 40 Cb 1.85 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 30.09 2ctj h ARG 40 CO -0.12 0.14 0.01 0.77 0.56 0.00 0.00 179.97 181.32 2ctj h SER 41 N 0.21 -0.07 -0.58 7.04 0.02 -1.18 -2.13 113.55 116.86 2ctj h SER 41 Ca 0.18 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.20 2ctj h SER 41 Cb 0.19 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 2ctj h SER 41 CO -0.22 -0.00 0.34 0.40 -1.14 0.00 0.00 176.83 176.21 2ctj h ILE 42 N 0.08 1.04 -0.85 3.27 2.04 -1.60 0.28 117.51 121.77 2ctj h ILE 42 Ca 0.10 -0.23 0.10 0.00 1.00 0.00 0.00 64.86 65.83 2ctj h ILE 42 Cb 0.13 0.31 -0.06 0.00 -0.74 0.00 0.00 36.82 36.45 2ctj h ILE 42 CO -0.17 0.12 0.55 0.24 0.00 0.00 0.00 178.15 178.89 2ctj h MET 43 N 0.67 0.77 0.00 2.37 2.86 -0.64 -1.24 114.93 119.72 2ctj h MET 43 Ca 0.24 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 2ctj h MET 43 Cb 0.06 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.55 2ctj h MET 43 CO -0.12 0.51 -0.02 1.49 1.06 0.00 0.00 176.91 179.83 2ctj h GLU 44 N 0.79 0.00 -1.00 1.72 4.81 -0.70 1.56 114.58 121.77 2ctj h GLU 44 Ca 0.39 0.00 0.24 0.00 -0.13 0.00 0.00 59.36 59.86 2ctj h GLU 44 Cb 0.46 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 29.65 2ctj h GLU 44 CO -0.16 0.00 -0.12 0.93 -0.73 0.00 0.00 179.01 178.93 2ctj h GLU 45 N -0.85 0.00 -0.42 1.92 4.39 -0.43 1.23 114.58 120.42 2ctj h GLU 45 Ca 0.00 -0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 2ctj h GLU 45 Cb 0.02 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 2ctj h GLU 45 CO 0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 179.01 177.77 2ctj n GLY 47 N -0.54 1.47 0.00 0.00 0.00 0.42 -4.84 105.19 101.70 2ctj n GLY 47 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2ctj n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ctj n GLY 48 N 0.00 0.00 3.91 -0.02 0.00 0.53 -4.73 105.19 104.88 2ctj n GLY 48 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2ctj n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ctj s VAL 49 N 0.00 2.87 -0.09 1.61 -7.23 -1.05 -4.97 120.40 111.54 2ctj s VAL 49 Ca 0.00 -0.01 0.02 0.00 -1.81 0.00 0.00 61.98 60.17 2ctj s VAL 49 Cb 0.00 -3.22 -0.02 0.00 0.56 0.00 0.00 36.38 33.69 2ctj s VAL 49 CO 0.00 -0.26 -0.13 -1.00 -0.31 0.00 0.00 175.10 173.41 2ctj s HIS 50 N -3.24 2.78 -0.10 2.82 0.09 -0.63 -4.77 115.29 112.25 2ctj s HIS 50 Ca 0.58 -0.36 0.04 0.00 -0.00 0.00 0.00 55.06 55.32 2ctj s HIS 50 Cb -0.11 -1.74 0.00 0.00 -0.00 0.00 0.00 32.58 30.73 2ctj s HIS 50 CO 0.47 0.02 -0.23 0.42 -0.00 0.00 0.00 174.74 175.42 2ctj s ILE 51 N -0.23 1.99 -0.17 0.60 1.01 -1.26 -0.34 121.20 122.80 2ctj s ILE 51 Ca 0.01 -0.98 -0.04 0.00 0.00 0.00 0.00 60.65 59.65 2ctj s ILE 51 Cb -0.13 -1.73 -0.02 0.00 0.01 0.00 0.00 42.46 40.59 2ctj s ILE 51 CO 0.03 0.54 -0.04 -1.00 0.00 0.00 0.00 174.94 174.48 2ctj s HIS 52 N 0.39 3.00 -0.09 3.97 3.76 0.65 -5.01 115.29 121.96 2ctj s HIS 52 Ca -0.18 -0.42 0.03 0.00 -0.15 0.00 0.00 55.06 54.33 2ctj s HIS 52 Cb -0.18 -1.99 -0.02 0.00 1.11 0.00 0.00 32.58 31.51 2ctj s HIS 52 CO 0.08 -0.15 -0.17 -0.06 -0.85 0.00 0.00 174.74 173.60 2ctj s PHE 53 N 0.62 2.68 0.76 1.40 0.08 -1.26 -2.48 117.98 119.79 2ctj s PHE 53 Ca -0.03 -0.56 -0.11 0.00 0.12 0.00 0.00 56.93 56.35 2ctj s PHE 53 Cb -0.14 -1.72 0.05 0.00 -0.57 0.00 0.00 43.02 40.63 2ctj s PHE 53 CO 0.02 -0.12 1.09 -1.25 -0.10 0.00 0.00 175.22 174.87 2ctj s PRO 54 N -0.05 2.31 -0.04 0.24 0.04 -1.26 -5.02 135.00 131.22 2ctj s PRO 54 Ca -0.04 1.19 -0.20 0.00 0.04 0.00 0.00 61.00 61.99 2ctj s PRO 54 Cb -0.14 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 2ctj s PRO 54 CO 0.04 -1.60 0.57 0.08 0.04 0.00 0.00 177.00 176.13 2ctj s VAL 55 N -2.84 5.01 0.30 -0.36 1.01 -1.26 -4.96 120.40 117.30 2ctj s VAL 55 Ca 0.62 1.18 0.06 0.00 0.00 0.00 0.00 61.98 63.83 2ctj s VAL 55 Cb -0.18 -3.91 0.30 0.00 0.00 0.00 0.00 36.38 32.60 2ctj s VAL 55 CO 0.54 0.38 1.69 1.05 0.00 0.00 0.00 175.10 178.77 2ctj h GLU 56 N 6.04 0.40 0.15 2.72 4.11 -1.95 -1.67 114.58 124.37 2ctj h GLU 56 Ca -0.44 -0.02 0.01 0.00 0.07 0.00 0.00 59.36 58.98 2ctj h GLU 56 Cb 1.20 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.31 2ctj h GLU 56 CO 0.72 0.26 -0.47 0.78 0.07 0.00 0.00 179.01 180.36 2ctj h GLY 57 N 0.41 -1.01 -0.05 1.06 0.00 -2.00 -2.62 103.07 98.86 2ctj h GLY 57 Ca 0.59 0.57 0.09 0.00 0.00 0.00 0.00 47.33 48.58 2ctj h GLY 57 CO -0.54 -0.28 -0.19 1.76 0.00 0.00 0.00 176.54 177.30 2ctj h SER 58 N -0.73 -0.65 -0.12 0.19 0.02 -1.72 -3.46 113.55 107.08 2ctj h SER 58 Ca 0.00 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2ctj h SER 58 Cb 0.73 0.37 0.00 0.00 0.14 0.00 0.00 62.40 63.64 2ctj h SER 58 CO -0.25 -0.22 0.00 0.61 -1.14 0.00 0.00 176.83 175.83 2ctj n GLY 59 N -1.38 0.81 3.23 -3.77 0.00 -0.99 -5.09 105.19 97.99 2ctj n GLY 59 Ca 0.03 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.74 3.98 -0.48 1.61 0.15 -1.26 -4.99 113.70 110.96 2ctj s SER 60 Ca 0.00 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.05 2ctj s SER 60 Cb 0.00 -1.65 0.44 0.00 -1.71 0.00 0.00 66.02 63.10 2ctj s SER 60 CO 0.00 -0.04 1.93 0.47 1.20 0.00 0.00 173.24 176.80 2ctj n ASP 61 N 4.71 5.94 -4.34 5.45 9.92 -1.26 -4.57 116.55 132.40 2ctj n ASP 61 Ca -0.18 -3.46 -0.31 0.00 -0.53 0.00 0.00 54.79 50.31 2ctj n ASP 61 Cb 0.50 -0.92 -0.15 0.00 -0.64 0.00 0.00 41.12 39.90 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 -3.50 2.16 -0.03 -3.53 2.01 -1.26 -2.41 115.64 109.08 2ctj s THR 62 Ca 0.51 -1.25 0.06 0.00 0.31 0.00 0.00 61.69 61.32 2ctj s THR 62 Cb 0.41 -1.81 -0.01 0.00 0.01 0.00 0.00 72.50 71.10 2ctj s THR 62 CO 0.03 0.46 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.50 2ctj s VAL 63 N -0.73 1.77 -0.15 3.82 1.01 -1.10 -4.12 120.40 120.89 2ctj s VAL 63 Ca 0.11 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.15 2ctj s VAL 63 Cb -0.10 -1.48 -0.00 0.00 0.00 0.00 0.00 36.38 34.80 2ctj s VAL 63 CO 0.01 0.50 -0.15 -0.69 0.00 0.00 0.00 175.10 174.77 2ctj s VAL 64 N -0.40 2.67 0.06 2.92 1.01 -1.03 -2.22 120.40 123.41 2ctj s VAL 64 Ca 0.05 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.33 2ctj s VAL 64 Cb -0.10 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 2ctj s VAL 64 CO 0.00 0.52 -0.17 -0.63 0.00 0.00 0.00 175.10 174.82 2ctj s ILE 65 N 0.78 2.90 0.09 2.22 1.01 -0.60 -0.25 121.20 127.35 2ctj s ILE 65 Ca -0.06 -1.22 0.08 0.00 0.00 0.00 0.00 60.65 59.45 2ctj s ILE 65 Cb -0.15 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.03 2ctj s ILE 65 CO 0.00 0.29 -0.20 -0.13 0.00 0.00 0.00 174.94 174.90 2ctj s ARG 66 N -1.61 1.09 0.00 2.79 0.52 0.54 -2.23 118.95 120.05 2ctj s ARG 66 Ca 0.16 -1.12 0.00 0.00 -0.52 0.00 0.00 55.73 54.25 2ctj s ARG 66 Cb -0.11 -1.31 0.00 0.00 0.52 0.00 0.00 34.95 34.05 2ctj s ARG 66 CO 0.07 0.31 0.00 0.41 0.02 0.00 0.00 175.30 176.10 2ctj n GLY 67 N 1.16 0.95 3.69 -3.53 0.00 -1.25 -1.60 105.19 104.62 2ctj n GLY 67 Ca -0.20 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 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 -1.25 4.28 0.17 1.61 0.04 -1.26 -1.00 135.00 137.59 2ctj s PRO 68 Ca 0.00 2.03 -0.27 0.00 0.04 0.00 0.00 61.00 62.80 2ctj s PRO 68 Cb 0.00 -3.51 0.01 0.00 0.04 0.00 0.00 34.50 31.04 2ctj s PRO 68 CO 0.00 -0.56 1.49 -1.13 0.04 0.00 0.00 177.00 176.84 2ctj n SER 69 N 5.12 -0.92 -0.25 6.66 3.41 -1.26 0.62 113.62 126.99 2ctj n SER 69 Ca 0.13 1.71 0.22 0.00 -0.26 0.00 0.00 58.87 60.68 2ctj n SER 69 Cb 0.43 -0.27 0.41 0.00 -0.26 0.00 0.00 64.21 64.53 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 -5.27 0.20 -0.06 4.04 7.64 -1.26 0.17 113.62 119.09 2ctj n SER 70 Ca 0.04 1.29 -0.21 0.00 1.01 0.00 0.00 58.87 61.00 2ctj n SER 70 Cb 0.29 -0.60 -0.13 0.00 -1.01 0.00 0.00 64.21 62.76 2ctj n SER 70 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2ctj h ASP 71 N 0.00 0.14 -0.90 6.43 1.82 -0.15 -3.34 116.42 120.41 2ctj h ASP 71 Ca 0.62 -0.70 0.24 0.00 -0.39 0.00 0.00 57.03 56.80 2ctj h ASP 71 Cb 1.60 -0.05 -0.13 0.00 0.68 0.00 0.00 39.33 41.43 2ctj h ASP 71 CO -0.62 1.51 0.35 0.58 -1.61 0.00 0.00 179.24 179.45 2ctj h VAL 72 N -0.71 0.38 -0.17 2.25 2.07 0.29 0.81 116.25 121.18 2ctj h VAL 72 Ca -0.31 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 2ctj h VAL 72 Cb 1.46 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2ctj h VAL 72 CO -0.09 0.06 -0.05 1.05 0.02 0.00 0.00 177.57 178.56 2ctj h GLU 73 N 0.31 0.26 0.13 1.57 4.11 -0.80 -0.15 114.58 120.01 2ctj h GLU 73 Ca 0.58 -0.05 -0.25 0.00 0.07 0.00 0.00 59.36 59.72 2ctj h GLU 73 Cb 1.17 -0.04 0.03 0.00 0.50 0.00 0.00 28.75 30.40 2ctj h GLU 73 CO -0.59 0.33 -1.04 0.87 0.07 0.00 0.00 179.01 178.65 2ctj h LYS 74 N 0.25 0.48 -0.10 1.06 1.79 0.36 -2.70 116.57 117.72 2ctj h LYS 74 Ca 0.06 -0.69 -0.07 0.00 -2.18 0.00 0.00 60.65 57.76 2ctj h LYS 74 Cb 0.26 0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 31.14 2ctj h LYS 74 CO 0.01 1.30 -0.28 0.00 -1.08 0.00 0.00 179.45 179.41 2ctj h ALA 75 N 0.21 1.36 0.05 3.86 0.00 -0.41 -2.27 119.26 122.06 2ctj h ALA 75 Ca -0.17 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 2ctj h ALA 75 Cb 1.77 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2ctj h ALA 75 CO 0.20 0.45 -0.02 -0.22 0.00 0.00 0.00 179.25 179.66 2ctj h LYS 76 N 0.16 -0.06 -0.11 0.00 3.64 -1.09 -2.18 116.57 116.93 2ctj h LYS 76 Ca 0.02 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 2ctj h LYS 76 Cb 0.58 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2ctj h LYS 76 CO 0.04 0.52 0.10 1.57 -2.27 0.00 0.00 179.45 179.41 2ctj h LYS 77 N -0.71 0.00 0.09 1.90 2.10 -1.44 -1.15 116.57 117.36 2ctj h LYS 77 Ca -0.01 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.41 2ctj h LYS 77 Cb 0.61 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.97 2ctj h LYS 77 CO 0.01 0.00 -0.95 1.96 -2.00 0.00 0.00 179.45 178.47 2ctj h GLN 78 N 0.00 0.49 -0.56 0.07 4.20 -1.39 -3.04 115.11 114.88 2ctj h GLN 78 Ca 0.05 -0.64 -0.04 0.00 0.06 0.00 0.00 58.65 58.07 2ctj h GLN 78 Cb 0.24 0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 2ctj h GLN 78 CO -0.00 1.27 0.17 1.25 -0.67 0.00 0.00 178.83 180.85 2ctj h LEU 79 N 0.01 0.81 0.07 1.46 5.85 -0.66 -2.33 115.31 120.52 2ctj h LEU 79 Ca -0.14 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2ctj h LEU 79 Cb 1.67 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.48 2ctj h LEU 79 CO 0.18 0.80 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.94 2ctj h LEU 80 N 0.78 -0.22 -0.12 2.25 4.07 -1.34 0.23 115.31 120.97 2ctj h LEU 80 Ca 0.18 0.02 0.04 0.00 0.08 0.00 0.00 57.88 58.20 2ctj h LEU 80 Cb 0.28 0.08 -0.05 0.00 1.08 0.00 0.00 40.66 42.05 2ctj h LEU 80 CO -0.01 -0.13 -0.16 -0.74 -1.08 0.00 0.00 178.44 176.33 2ctj h HIS 81 N -0.18 -0.42 0.57 1.13 2.76 -1.44 -2.06 115.15 115.50 2ctj h HIS 81 Ca 0.01 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.17 2ctj h HIS 81 Cb 0.18 0.20 0.01 0.00 1.55 0.00 0.00 27.41 29.35 2ctj h HIS 81 CO -0.11 -0.24 -0.27 -0.07 -1.30 0.00 0.00 177.93 175.94 2ctj h LEU 82 N -0.21 -0.64 -0.74 0.26 3.38 -1.25 -0.78 115.31 115.32 2ctj h LEU 82 Ca 0.09 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.23 2ctj h LEU 82 Cb 0.34 0.17 -0.14 0.00 0.09 0.00 0.00 40.66 41.12 2ctj h LEU 82 CO -0.24 -0.43 -0.20 0.00 0.09 0.00 0.00 178.44 177.65 2ctj n ALA 83 N -2.42 0.13 -0.07 1.53 0.00 0.80 0.12 120.51 120.61 2ctj n ALA 83 Ca -0.09 0.80 -0.11 0.00 0.00 0.00 0.00 53.44 54.03 2ctj n ALA 83 Cb 0.30 -0.46 -0.05 0.00 0.00 0.00 0.00 19.45 19.24 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 0.40 0.25 0.00 4.39 -1.31 -3.25 114.58 115.06 2ctj h GLU 84 Ca 0.34 -0.13 0.01 0.00 0.34 0.00 0.00 59.36 59.92 2ctj h GLU 84 Cb 0.52 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 2ctj h GLU 84 CO -0.76 0.59 -0.38 0.93 -1.16 0.00 0.00 179.01 178.23 2ctj h GLU 85 N 0.15 -0.67 -0.72 2.33 4.39 0.25 -2.48 114.58 117.83 2ctj h GLU 85 Ca 0.06 0.05 0.15 0.00 0.34 0.00 0.00 59.36 59.96 2ctj h GLU 85 Cb 0.42 0.15 -0.14 0.00 -0.10 0.00 0.00 28.75 29.09 2ctj h GLU 85 CO 0.01 -0.45 -0.15 1.63 -1.16 0.00 0.00 179.01 178.90 2ctj n LYS 86 N -5.46 -0.06 -1.53 2.33 4.76 0.56 -4.06 118.16 114.69 2ctj n LYS 86 Ca -0.08 1.12 -0.38 0.00 -2.87 0.00 0.00 58.31 56.10 2ctj n LYS 86 Cb 0.37 -1.69 -0.09 0.00 -1.84 0.00 0.00 35.03 31.78 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 -5.15 0.56 -2.93 1.97 6.02 -0.94 -4.88 117.38 112.03 2ctj n GLN 87 Ca 0.13 -0.02 -0.41 0.00 -0.01 0.00 0.00 57.00 56.69 2ctj n GLN 87 Cb 0.40 -2.57 -0.04 0.00 1.02 0.00 0.00 30.24 29.05 2ctj n GLN 87 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2ctj s THR 88 N 10.72 4.95 0.16 5.09 -4.23 -1.26 -5.02 115.64 126.06 2ctj s THR 88 Ca 1.15 1.61 -0.24 0.00 -1.18 0.00 0.00 61.69 63.03 2ctj s THR 88 Cb -0.66 -4.12 0.07 0.00 1.34 0.00 0.00 72.50 69.13 2ctj s THR 88 CO 0.36 0.14 1.00 -1.59 -0.54 0.00 0.00 174.62 173.99 2ctj s LYS 89 N 1.43 1.23 0.15 3.99 -2.85 -1.26 -5.14 119.74 117.29 2ctj s LYS 89 Ca 0.40 -0.73 -0.30 0.00 -1.00 0.00 0.00 55.97 54.33 2ctj s LYS 89 Cb -0.18 0.38 -0.07 0.00 -2.06 0.00 0.00 37.83 35.90 2ctj s LYS 89 CO 0.17 -0.57 1.21 -1.54 0.10 0.00 0.00 175.35 174.72 2ctj s SER 90 N -3.13 7.06 -0.08 0.03 1.04 -1.26 -4.36 113.70 113.00 2ctj s SER 90 Ca 0.16 2.18 -0.02 0.00 0.48 0.00 0.00 55.95 58.75 2ctj s SER 90 Cb -0.02 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.51 2ctj s SER 90 CO 0.03 -0.42 0.09 0.61 0.98 0.00 0.00 173.24 174.54 2ctj n GLY 91 N 2.57 -1.45 3.69 7.32 0.00 -1.26 -5.05 105.19 111.01 2ctj n GLY 91 Ca 0.06 0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.07 0.77 -0.16 1.61 0.04 -1.26 -5.06 135.00 129.87 2ctj s PRO 92 Ca 0.04 0.64 0.02 0.00 0.04 0.00 0.00 61.00 61.74 2ctj s PRO 92 Cb -0.01 -1.77 0.01 0.00 0.04 0.00 0.00 34.50 32.78 2ctj s PRO 92 CO 0.16 -2.53 -0.21 0.45 0.04 0.00 0.00 177.00 174.91 2ctj s SER 93 N -3.45 3.09 0.44 6.66 0.15 -1.26 -5.12 113.70 114.22 2ctj s SER 93 Ca 0.65 -0.62 -0.15 0.00 0.70 0.00 0.00 55.95 56.53 2ctj s SER 93 Cb -0.18 -1.45 -0.08 0.00 -1.71 0.00 0.00 66.02 62.60 2ctj s SER 93 CO 0.57 0.04 0.88 -0.55 1.20 0.00 0.00 173.24 175.38 2ctj s SER 94 N 1.02 6.65 0.00 5.45 0.15 -1.26 -5.02 113.70 120.68 2ctj s SER 94 Ca -0.02 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.03 2ctj s SER 94 Cb -0.14 -2.43 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2ctj s SER 94 CO -0.06 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 174.54