#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c7h s PRO 2 N 0.00 4.48 0.09 1.61 0.04 -1.26 -4.94 135.00 135.02 2c7h s PRO 2 Ca 0.00 1.89 -0.14 0.00 0.04 0.00 0.00 61.00 62.79 2c7h s PRO 2 Cb 0.00 -3.24 -0.15 0.00 0.04 0.00 0.00 34.50 31.16 2c7h s PRO 2 CO 0.00 -0.11 1.31 -0.07 0.04 0.00 0.00 177.00 178.17 2c7h h LEU 3 N 5.26 0.85 -7.96 -3.56 3.38 -2.05 -3.48 115.31 107.75 2c7h h LEU 3 Ca -0.44 -0.61 0.07 0.00 0.09 0.00 0.00 57.88 56.99 2c7h h LEU 3 Cb 1.21 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 2c7h h LEU 3 CO 0.75 1.31 0.27 -0.83 0.09 0.00 0.00 178.44 180.03 2c7h s GLY 4 N -4.00 -0.03 -0.43 0.83 0.00 -1.26 -5.05 107.32 97.39 2c7h s GLY 4 Ca -0.11 -0.33 -0.18 0.00 0.00 0.00 0.00 44.72 44.10 2c7h s GLY 4 CO 0.88 -0.06 0.58 -1.26 0.00 0.00 0.00 173.10 173.23 2c7h n SER 5 N -0.63 -7.66 -4.73 1.64 2.88 -1.26 -4.91 113.62 98.95 2c7h n SER 5 Ca -0.05 0.49 -0.41 0.00 -1.33 0.00 0.00 58.87 57.57 2c7h n SER 5 Cb 0.59 -4.93 -0.03 0.00 -0.75 0.00 0.00 64.21 59.10 2c7h n SER 5 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2c7h s MET 6 N -2.54 4.38 -0.34 -1.46 1.00 -1.26 -4.91 119.30 114.17 2c7h s MET 6 Ca 0.26 2.05 -0.29 0.00 0.00 0.00 0.00 55.69 57.71 2c7h s MET 6 Cb -0.06 -3.21 0.02 0.00 0.00 0.00 0.00 34.83 31.58 2c7h s MET 6 CO 0.78 -0.28 1.12 -1.12 0.00 0.00 0.00 175.02 175.51 2c7h s SER 7 N 0.49 6.86 -0.02 3.03 0.01 -1.25 -4.97 113.70 117.85 2c7h s SER 7 Ca 0.58 1.00 -0.00 0.00 1.31 0.00 0.00 55.95 58.84 2c7h s SER 7 Cb -0.36 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.35 2c7h s SER 7 CO 0.37 -0.95 0.03 0.00 0.41 0.00 0.00 173.24 173.10 2c7h s VAL 9 N 0.79 4.21 -0.59 0.00 1.01 -0.08 -4.66 120.40 121.07 2c7h s VAL 9 Ca -0.07 -0.24 -0.28 0.00 0.00 0.00 0.00 61.98 61.40 2c7h s VAL 9 Cb -0.09 -2.88 0.03 0.00 0.00 0.00 0.00 36.38 33.43 2c7h s VAL 9 CO -0.02 0.46 1.22 -1.00 0.00 0.00 0.00 175.10 175.75 2c7h s HIS 10 N 0.61 2.55 0.01 5.22 3.76 -1.25 -1.35 115.29 124.84 2c7h s HIS 10 Ca 0.00 0.39 0.07 0.00 -0.15 0.00 0.00 55.06 55.37 2c7h s HIS 10 Cb -0.14 -4.52 -0.03 0.00 1.11 0.00 0.00 32.58 29.01 2c7h s HIS 10 CO 0.02 -1.66 -0.22 1.52 -0.85 0.00 0.00 174.74 173.55 2c7h s TYR 11 N 5.11 2.45 -0.12 1.40 1.13 -0.03 -0.83 117.35 126.45 2c7h s TYR 11 Ca 0.43 -0.34 0.02 0.00 -1.41 0.00 0.00 57.07 55.77 2c7h s TYR 11 Cb -0.08 -1.49 0.01 0.00 -1.10 0.00 0.00 41.96 39.31 2c7h s TYR 11 CO 0.25 0.11 -0.17 -1.59 -2.51 0.00 0.00 175.55 171.64 2c7h s LYS 12 N -0.99 2.45 0.57 -3.49 -2.85 -0.15 0.14 119.74 115.43 2c7h s LYS 12 Ca 0.12 -0.64 -0.13 0.00 -1.00 0.00 0.00 55.97 54.32 2c7h s LYS 12 Cb -0.10 -2.08 -0.05 0.00 -2.06 0.00 0.00 37.83 33.53 2c7h s LYS 12 CO 0.02 -0.08 1.00 0.12 0.10 0.00 0.00 175.35 176.50 2c7h s PHE 13 N 1.03 3.56 0.33 1.78 2.19 -1.26 -0.04 117.98 125.57 2c7h s PHE 13 Ca -0.04 1.34 0.04 0.00 0.33 0.00 0.00 56.93 58.59 2c7h s PHE 13 Cb -0.15 -2.73 0.64 0.00 -1.31 0.00 0.00 43.02 39.48 2c7h s PHE 13 CO -0.03 -0.55 1.92 0.77 1.83 0.00 0.00 175.22 179.15 2c7h h SER 14 N 0.17 0.79 0.51 6.13 0.02 -1.86 -0.81 113.55 118.51 2c7h h SER 14 Ca -0.45 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2c7h h SER 14 Cb 1.19 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.57 2c7h h SER 14 CO 0.62 0.49 -0.35 -1.54 -1.14 0.00 0.00 176.83 174.91 2c7h n SER 15 N -4.50 0.52 0.09 3.07 3.41 -1.26 -3.89 113.62 111.05 2c7h n SER 15 Ca 0.13 -0.29 -0.20 0.00 -0.26 0.00 0.00 58.87 58.25 2c7h n SER 15 Cb 0.25 0.09 -0.15 0.00 -0.26 0.00 0.00 64.21 64.14 2c7h n SER 15 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2c7h h LYS 16 N 0.27 0.35 0.00 4.33 1.63 -1.51 -3.47 116.57 118.17 2c7h h LYS 16 Ca 0.00 -0.60 0.00 0.00 -0.85 0.00 0.00 60.65 59.20 2c7h h LYS 16 Cb 0.49 0.23 0.00 0.00 -0.60 0.00 0.00 32.23 32.34 2c7h h LYS 16 CO 0.00 1.25 0.00 -0.11 -3.45 0.00 0.00 179.45 177.14 2c7h n LEU 17 N -3.55 0.00 -5.01 5.20 0.00 -0.99 -4.79 117.00 107.86 2c7h n LEU 17 Ca -0.18 0.00 -0.17 0.00 0.00 0.00 0.00 56.01 55.66 2c7h n LEU 17 Cb 1.06 0.00 0.01 0.00 0.00 0.00 0.00 43.42 44.49 2c7h n LEU 17 CO 0.53 0.00 0.15 0.20 0.00 0.00 0.00 177.39 178.27 2c7h s ASN 18 N 0.00 5.64 0.38 1.96 -0.87 -1.26 -4.96 114.94 115.84 2c7h s ASN 18 Ca 0.00 -0.43 -0.08 0.00 -1.57 0.00 0.00 52.86 50.78 2c7h s ASN 18 Cb 0.00 -0.66 -0.06 0.00 -0.02 0.00 0.00 41.25 40.52 2c7h s ASN 18 CO 0.00 -0.76 0.71 -0.31 -2.57 0.00 0.00 177.10 174.17 2c7h s TYR 19 N -2.35 3.49 0.43 2.20 1.51 -1.26 -4.40 117.35 116.96 2c7h s TYR 19 Ca 0.55 0.88 0.03 0.00 -1.01 0.00 0.00 57.07 57.52 2c7h s TYR 19 Cb -0.10 -2.32 -0.02 0.00 -0.11 0.00 0.00 41.96 39.42 2c7h s TYR 19 CO 0.33 -0.05 0.11 0.34 -1.11 0.00 0.00 175.55 175.17 2c7h s ASP 20 N -3.32 3.06 -0.11 2.29 -1.08 0.12 -4.90 116.67 112.73 2c7h s ASP 20 Ca 0.48 -1.69 -0.01 0.00 -0.52 0.00 0.00 52.55 50.81 2c7h s ASP 20 Cb -0.10 0.54 0.03 0.00 -1.46 0.00 0.00 42.92 41.93 2c7h s ASP 20 CO 0.33 -0.94 -0.01 0.42 0.52 0.00 0.00 175.17 175.49 2c7h s THR 21 N -3.14 0.58 -0.25 1.71 -4.23 -1.25 -0.85 115.64 108.20 2c7h s THR 21 Ca 0.20 -0.13 -0.11 0.00 -1.18 0.00 0.00 61.69 60.47 2c7h s THR 21 Cb 0.02 -0.77 -0.05 0.00 1.34 0.00 0.00 72.50 73.04 2c7h s THR 21 CO 0.13 0.19 0.18 0.54 -0.54 0.00 0.00 174.62 175.11 2c7h s VAL 22 N 1.88 5.34 0.08 2.29 0.11 -0.46 -4.83 120.40 124.81 2c7h s VAL 22 Ca 0.04 0.19 -0.14 0.00 -2.93 0.00 0.00 61.98 59.13 2c7h s VAL 22 Cb -0.13 -3.52 -0.06 0.00 -1.53 0.00 0.00 36.38 31.14 2c7h s VAL 22 CO -0.06 0.31 0.47 0.42 -3.33 0.00 0.00 175.10 172.91 2c7h s THR 23 N 1.33 4.95 0.29 5.04 -4.23 -1.26 -0.91 115.64 120.85 2c7h s THR 23 Ca 0.08 0.78 -0.14 0.00 -1.18 0.00 0.00 61.69 61.22 2c7h s THR 23 Cb -0.14 -3.72 0.01 0.00 1.34 0.00 0.00 72.50 69.98 2c7h s THR 23 CO 0.07 0.38 0.58 0.72 -0.54 0.00 0.00 174.62 175.84 2c7h s PHE 24 N -1.30 0.27 -0.16 3.99 -0.71 0.45 -4.97 117.98 115.55 2c7h s PHE 24 Ca 0.32 -0.69 -0.11 0.00 -1.04 0.00 0.00 56.93 55.41 2c7h s PHE 24 Cb -0.16 0.38 -0.05 0.00 -1.21 0.00 0.00 43.02 41.99 2c7h s PHE 24 CO 0.17 -1.15 0.19 0.34 -1.34 0.00 0.00 175.22 173.43 2c7h s ASP 25 N -3.03 6.35 0.00 1.98 2.15 -1.26 -3.93 116.67 118.93 2c7h s ASP 25 Ca 0.19 0.40 0.00 0.00 0.43 0.00 0.00 52.55 53.58 2c7h s ASP 25 Cb -0.03 -2.12 0.00 0.00 -0.30 0.00 0.00 42.92 40.47 2c7h s ASP 25 CO 0.10 0.22 0.00 0.61 -0.17 0.00 0.00 175.17 175.93 2c7h n GLY 26 N 3.02 0.80 0.10 2.66 0.00 -1.26 -4.75 105.19 105.76 2c7h n GLY 26 Ca -0.16 -2.19 -0.14 0.00 0.00 0.00 0.00 46.02 43.53 2c7h n GLY 26 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2c7h h LEU 27 N 0.00 0.22 -8.50 0.99 6.46 -1.97 -3.43 115.31 109.09 2c7h h LEU 27 Ca 0.00 -0.38 -0.22 0.00 -0.12 0.00 0.00 57.88 57.17 2c7h h LEU 27 Cb 0.00 -0.07 -0.15 0.00 -0.73 0.00 0.00 40.66 39.71 2c7h h LEU 27 CO 0.00 1.32 -0.66 -1.38 -0.62 0.00 0.00 178.44 177.10 2c7h s HIS 28 N -2.61 0.96 -0.04 1.25 -3.43 -1.26 -1.49 115.29 108.67 2c7h s HIS 28 Ca -0.09 -1.12 0.01 0.00 -0.80 0.00 0.00 55.06 53.07 2c7h s HIS 28 Cb 0.07 -0.55 0.02 0.00 -1.43 0.00 0.00 32.58 30.69 2c7h s HIS 28 CO 0.82 -0.37 -0.05 -1.50 -2.00 0.00 0.00 174.74 171.65 2c7h s ILE 29 N -3.86 0.57 0.44 -5.38 2.07 0.11 -4.93 121.20 110.21 2c7h s ILE 29 Ca 0.21 -0.17 -0.25 0.00 -1.41 0.00 0.00 60.65 59.04 2c7h s ILE 29 Cb 0.07 -0.57 -0.08 0.00 0.13 0.00 0.00 42.46 42.00 2c7h s ILE 29 CO 0.01 0.22 1.35 -0.44 -1.91 0.00 0.00 174.94 174.17 2c7h s SER 30 N 0.75 6.06 0.28 4.50 0.01 -1.26 0.02 113.70 124.06 2c7h s SER 30 Ca -0.10 2.75 0.01 0.00 1.31 0.00 0.00 55.95 59.92 2c7h s SER 30 Cb -0.13 -2.64 0.55 0.00 0.21 0.00 0.00 66.02 64.01 2c7h s SER 30 CO 0.00 -1.03 1.83 0.25 0.41 0.00 0.00 173.24 174.71 2c7h h LEU 31 N 2.42 0.92 -0.53 2.44 5.85 0.96 -0.70 115.31 126.67 2c7h h LEU 31 Ca -0.50 0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.33 2c7h h LEU 31 Cb 1.26 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.10 2c7h h LEU 31 CO 0.61 0.49 0.23 0.00 -0.34 0.00 0.00 178.44 179.44 2c7h h ASP 33 N 0.45 0.82 -0.29 0.00 1.82 -1.52 -2.51 116.42 115.20 2c7h h ASP 33 Ca 0.25 -0.52 -0.02 0.00 -0.39 0.00 0.00 57.03 56.34 2c7h h ASP 33 Cb 0.22 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 39.98 2c7h h ASP 33 CO -0.21 1.18 0.08 0.25 -1.61 0.00 0.00 179.24 178.93 2c7h h LEU 34 N 0.49 0.42 -0.67 2.28 6.46 -0.72 -1.27 115.31 122.31 2c7h h LEU 34 Ca 0.02 -0.22 -0.02 0.00 -0.12 0.00 0.00 57.88 57.55 2c7h h LEU 34 Cb 1.01 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.80 2c7h h LEU 34 CO 0.10 0.53 0.36 0.11 -0.62 0.00 0.00 178.44 178.91 2c7h h LYS 35 N 0.30 0.94 -0.46 1.25 1.57 -0.45 -0.26 116.57 119.46 2c7h h LYS 35 Ca 0.09 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2c7h h LYS 35 Cb 0.26 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2c7h h LYS 35 CO -0.00 0.71 0.20 0.87 -0.57 0.00 0.00 179.45 180.67 2c7h h LYS 36 N 0.92 0.64 -0.14 3.15 6.56 -1.07 0.41 116.57 127.04 2c7h h LYS 36 Ca 0.23 -0.08 -0.08 0.00 -1.06 0.00 0.00 60.65 59.67 2c7h h LYS 36 Cb 0.05 -0.12 -0.00 0.00 -0.57 0.00 0.00 32.23 31.59 2c7h h LYS 36 CO -0.04 0.52 -0.21 1.96 -2.06 0.00 0.00 179.45 179.62 2c7h h GLN 37 N 0.65 0.40 -0.41 3.15 4.20 -0.58 -1.82 115.11 120.69 2c7h h GLN 37 Ca 0.16 -0.23 -0.13 0.00 0.06 0.00 0.00 58.65 58.51 2c7h h GLN 37 Cb 0.10 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 2c7h h GLN 37 CO -0.02 0.81 -0.26 0.82 -0.67 0.00 0.00 178.83 179.51 2c7h h ILE 38 N 0.01 1.27 -0.70 2.54 2.04 -0.50 0.25 117.51 122.43 2c7h h ILE 38 Ca 0.02 -1.41 -0.05 0.00 1.00 0.00 0.00 64.86 64.41 2c7h h ILE 38 Cb 0.77 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 2c7h h ILE 38 CO 0.05 0.47 0.22 0.24 0.00 0.00 0.00 178.15 179.14 2c7h h MET 39 N 0.74 1.07 -0.03 2.37 2.86 -0.24 -0.46 114.93 121.24 2c7h h MET 39 Ca 0.09 -0.22 -0.16 0.00 -2.06 0.00 0.00 59.70 57.36 2c7h h MET 39 Cb 0.81 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 2c7h h MET 39 CO 0.07 0.90 -0.70 0.78 1.06 0.00 0.00 176.91 179.02 2c7h h GLY 40 N 1.08 0.16 0.77 8.32 0.00 -0.97 0.33 103.07 112.77 2c7h h GLY 40 Ca 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2c7h h GLY 40 CO -0.01 0.20 -0.05 -0.09 0.00 0.00 0.00 176.54 176.59 2c7h h ARG 41 N 0.10 -0.14 0.00 4.80 9.65 0.08 -3.31 114.38 125.55 2c7h h ARG 41 Ca -0.02 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2c7h h ARG 41 Cb 1.24 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.86 2c7h h ARG 41 CO 0.10 0.11 -1.31 0.39 2.80 0.00 0.00 179.97 182.06 2c7h n GLU 42 N -5.05 0.50 -1.47 0.20 -0.58 -0.24 -5.00 120.64 109.00 2c7h n GLU 42 Ca -0.08 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 2c7h n GLU 42 Cb 0.17 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 2c7h n GLU 42 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2c7h n LYS 43 N -2.28 0.00 -3.22 3.49 4.76 -0.13 -5.08 118.16 115.70 2c7h n LYS 43 Ca -0.00 0.49 -0.20 0.00 -2.87 0.00 0.00 58.31 55.73 2c7h n LYS 43 Cb 0.51 -1.47 0.01 0.00 -1.84 0.00 0.00 35.03 32.24 2c7h n LYS 43 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2c7h s LEU 44 N -1.95 3.79 -0.45 -0.35 1.02 0.99 -5.02 118.68 116.71 2c7h s LEU 44 Ca 0.00 -0.07 -0.09 0.00 0.02 0.00 0.00 54.13 54.00 2c7h s LEU 44 Cb 0.00 -2.87 0.10 0.00 0.02 0.00 0.00 46.19 43.45 2c7h s LEU 44 CO 0.00 -0.60 0.31 -1.59 0.02 0.00 0.00 176.35 174.48 2c7h s LYS 45 N -4.35 2.49 0.20 1.70 -2.85 -1.26 -4.85 119.74 110.82 2c7h s LYS 45 Ca 0.48 -1.66 0.24 0.00 -1.00 0.00 0.00 55.97 54.04 2c7h s LYS 45 Cb -0.10 -3.85 0.91 0.00 -2.06 0.00 0.00 37.83 32.73 2c7h s LYS 45 CO 0.34 -1.10 1.74 0.00 0.10 0.00 0.00 175.35 176.42 2c7h n ALA 46 N 4.89 1.96 1.17 0.59 0.00 -1.26 -1.59 120.51 126.27 2c7h n ALA 46 Ca -0.08 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.49 2c7h n ALA 46 Cb 0.42 -1.42 0.37 0.00 0.00 0.00 0.00 19.45 18.82 2c7h n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c7h n ALA 47 N -1.74 2.52 -0.00 0.00 0.00 -1.26 -4.13 120.51 115.89 2c7h n ALA 47 Ca 0.04 -0.58 -0.01 0.00 0.00 0.00 0.00 53.44 52.89 2c7h n ALA 47 Cb 0.31 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.71 2c7h n ALA 47 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2c7h n ASP 48 N 0.57 4.25 -4.13 0.00 -0.08 -0.88 -5.04 116.55 111.23 2c7h n ASP 48 Ca 0.17 -0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.36 2c7h n ASP 48 Cb 0.41 0.18 -0.10 0.00 2.34 0.00 0.00 41.12 43.96 2c7h n ASP 48 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2c7h s ASP 50 N -3.00 4.35 -0.32 0.00 2.15 0.13 -4.39 116.67 115.59 2c7h s ASP 50 Ca 0.16 -0.98 0.01 0.00 0.43 0.00 0.00 52.55 52.16 2c7h s ASP 50 Cb 0.07 -0.56 0.08 0.00 -0.30 0.00 0.00 42.92 42.21 2c7h s ASP 50 CO -0.04 -0.35 0.02 -0.22 -0.17 0.00 0.00 175.17 174.41 2c7h s LEU 51 N -3.80 4.25 -0.21 -1.34 2.96 -1.26 -0.73 118.68 118.55 2c7h s LEU 51 Ca 0.37 -1.68 -0.19 0.00 -0.22 0.00 0.00 54.13 52.41 2c7h s LEU 51 Cb 0.01 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 2c7h s LEU 51 CO 0.21 -0.32 0.56 -1.58 -1.32 0.00 0.00 176.35 173.89 2c7h s GLN 52 N 1.10 4.18 -0.10 1.98 2.00 0.12 -4.92 119.66 124.01 2c7h s GLN 52 Ca 0.00 0.47 -0.01 0.00 -2.00 0.00 0.00 55.36 53.83 2c7h s GLN 52 Cb -0.20 -3.58 -0.03 0.00 0.80 0.00 0.00 33.01 30.00 2c7h s GLN 52 CO -0.05 -0.20 -0.07 0.42 -0.50 0.00 0.00 175.29 174.89 2c7h s ILE 53 N 1.81 3.62 -0.01 -2.34 -1.09 -1.26 -0.47 121.20 121.46 2c7h s ILE 53 Ca 0.25 -0.49 0.07 0.00 -2.23 0.00 0.00 60.65 58.25 2c7h s ILE 53 Cb -0.16 -2.51 -0.02 0.00 -1.58 0.00 0.00 42.46 38.19 2c7h s ILE 53 CO 0.10 0.55 -0.22 -0.89 -1.23 0.00 0.00 174.94 173.25 2c7h s THR 54 N -0.25 1.74 0.29 2.92 2.01 -0.17 0.11 115.64 122.29 2c7h s THR 54 Ca 0.03 -0.98 -0.29 0.00 0.31 0.00 0.00 61.69 60.76 2c7h s THR 54 Cb -0.13 -1.45 -0.10 0.00 0.01 0.00 0.00 72.50 70.83 2c7h s THR 54 CO 0.03 0.45 1.18 0.21 -0.69 0.00 0.00 174.62 175.80 2c7h s ASN 55 N -0.62 7.08 0.19 3.53 3.84 0.13 1.00 114.94 130.08 2c7h s ASN 55 Ca 0.08 2.42 0.09 0.00 0.21 0.00 0.00 52.86 55.67 2c7h s ASN 55 Cb -0.09 -2.63 0.04 0.00 -0.55 0.00 0.00 41.25 38.02 2c7h s ASN 55 CO -0.00 -0.30 1.43 0.00 -2.79 0.00 0.00 177.10 175.43 2c7h h ALA 56 N 3.75 0.62 0.00 1.71 0.00 -1.15 -1.91 119.26 122.29 2c7h h ALA 56 Ca -0.47 -0.74 -0.34 0.00 0.00 0.00 0.00 54.91 53.36 2c7h h ALA 56 Cb 1.22 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 2c7h h ALA 56 CO 0.67 1.02 -1.85 1.04 0.00 0.00 0.00 179.25 180.13 2c7h n GLN 57 N -3.52 0.58 0.06 0.00 6.02 -1.25 -4.43 117.38 114.84 2c7h n GLN 57 Ca -0.00 0.43 0.11 0.00 -0.01 0.00 0.00 57.00 57.53 2c7h n GLN 57 Cb 0.80 -1.63 -0.02 0.00 1.02 0.00 0.00 30.24 30.40 2c7h n GLN 57 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2c7h n THR 58 N -4.32 0.35 -1.67 5.09 -2.24 -1.26 -4.94 114.28 105.29 2c7h n THR 58 Ca -0.42 -0.44 -0.16 0.00 -2.27 0.00 0.00 64.05 60.76 2c7h n THR 58 Cb 0.78 -0.10 -0.05 0.00 -2.10 0.00 0.00 70.33 68.86 2c7h n THR 58 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2c7h n LYS 59 N -2.36 -1.13 -2.61 -0.78 4.76 -0.72 -4.98 118.16 110.35 2c7h n LYS 59 Ca -0.00 0.97 -0.42 0.00 -2.87 0.00 0.00 58.31 55.99 2c7h n LYS 59 Cb 0.52 -5.19 -0.03 0.00 -1.84 0.00 0.00 35.03 28.49 2c7h n LYS 59 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2c7h s GLU 60 N -3.69 4.50 0.11 1.97 2.12 -1.26 -4.58 118.70 117.87 2c7h s GLU 60 Ca 0.00 1.53 -0.26 0.00 0.36 0.00 0.00 54.97 56.60 2c7h s GLU 60 Cb 0.00 -3.44 -0.07 0.00 0.26 0.00 0.00 34.13 30.88 2c7h s GLU 60 CO 0.00 -0.16 0.80 -1.21 -0.54 0.00 0.00 175.26 174.15 2c7h s GLU 61 N 1.20 4.56 -0.62 4.30 2.02 -1.26 0.17 118.70 129.07 2c7h s GLU 61 Ca 0.54 1.16 -0.18 0.00 0.02 0.00 0.00 54.97 56.51 2c7h s GLU 61 Cb -0.23 -3.32 0.12 0.00 0.10 0.00 0.00 34.13 30.79 2c7h s GLU 61 CO 0.27 0.40 0.68 0.71 0.02 0.00 0.00 175.26 177.34 2c7h s TYR 62 N -0.52 3.12 -0.15 1.61 2.02 0.12 -4.87 117.35 118.68 2c7h s TYR 62 Ca 0.39 -1.14 -0.07 0.00 -0.37 0.00 0.00 57.07 55.88 2c7h s TYR 62 Cb -0.22 -3.96 -0.24 0.00 -0.40 0.00 0.00 41.96 37.13 2c7h s TYR 62 CO 0.25 -1.22 0.26 0.25 -1.57 0.00 0.00 175.55 173.52 2c7h n THR 63 N 5.35 1.72 -3.46 -0.71 -2.24 -1.26 -4.02 114.28 109.66 2c7h n THR 63 Ca -0.07 -0.59 -0.33 0.00 -2.27 0.00 0.00 64.05 60.78 2c7h n THR 63 Cb 0.43 -1.72 -0.05 0.00 -2.10 0.00 0.00 70.33 66.88 2c7h n THR 63 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2c7h s ASP 64 N -6.96 6.67 0.36 3.42 -1.08 -1.26 -4.95 116.67 112.87 2c7h s ASP 64 Ca -0.25 0.90 0.27 0.00 -0.52 0.00 0.00 52.55 52.95 2c7h s ASP 64 Cb 0.07 -2.22 1.24 0.00 -1.46 0.00 0.00 42.92 40.55 2c7h s ASP 64 CO 0.73 0.04 1.80 0.44 0.52 0.00 0.00 175.17 178.71 2c7h h ASP 65 N 3.12 0.00 0.06 -0.34 3.32 -1.95 -0.30 116.42 120.34 2c7h h ASP 65 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2c7h h ASP 65 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2c7h h ASP 65 CO 0.68 0.00 -0.06 0.59 -1.72 0.00 0.00 179.24 178.73 2c7h n ASN 66 N -2.46 1.22 -4.76 6.45 3.02 -1.26 -0.76 115.26 116.71 2c7h n ASN 66 Ca 0.00 -1.28 -0.38 0.00 -0.03 0.00 0.00 54.58 52.89 2c7h n ASN 66 Cb 0.17 0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 2c7h n ASN 66 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2c7h s ALA 67 N -2.13 3.01 -0.05 5.41 0.00 -0.13 -4.66 121.76 123.21 2c7h s ALA 67 Ca 0.35 1.11 0.06 0.00 0.00 0.00 0.00 51.96 53.48 2c7h s ALA 67 Cb 0.21 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 2c7h s ALA 67 CO 0.38 -0.88 -0.22 -0.48 0.00 0.00 0.00 175.76 174.57 2c7h s LEU 68 N -2.99 2.28 -0.22 0.00 0.05 -1.26 0.93 118.68 117.46 2c7h s LEU 68 Ca 0.64 -0.40 -0.02 0.00 0.05 0.00 0.00 54.13 54.40 2c7h s LEU 68 Cb -0.34 -1.43 0.01 0.00 -2.05 0.00 0.00 46.19 42.39 2c7h s LEU 68 CO 0.42 0.29 -0.09 -0.63 -0.55 0.00 0.00 176.35 175.79 2c7h s ILE 69 N -0.43 2.87 0.48 1.48 1.09 0.10 -4.90 121.20 121.89 2c7h s ILE 69 Ca 0.04 -0.82 -0.15 0.00 -1.10 0.00 0.00 60.65 58.63 2c7h s ILE 69 Cb -0.12 -2.35 -0.07 0.00 -1.06 0.00 0.00 42.46 38.86 2c7h s ILE 69 CO 0.01 0.35 0.92 -2.16 -0.10 0.00 0.00 174.94 173.97 2c7h s PRO 70 N 1.37 3.90 0.04 2.79 0.04 -1.26 -0.71 135.00 141.17 2c7h s PRO 70 Ca 0.03 0.81 0.14 0.00 0.04 0.00 0.00 61.00 62.02 2c7h s PRO 70 Cb -0.15 -2.21 0.58 0.00 0.04 0.00 0.00 34.50 32.76 2c7h s PRO 70 CO -0.06 -0.20 1.43 0.36 0.04 0.00 0.00 177.00 178.57 2c7h n LYS 71 N -1.48 0.03 0.00 4.56 -0.00 -0.55 -1.33 118.16 119.38 2c7h n LYS 71 Ca 0.05 0.32 0.14 0.00 -0.00 0.00 0.00 58.31 58.82 2c7h n LYS 71 Cb 0.54 -1.56 0.56 0.00 -0.00 0.00 0.00 35.03 34.57 2c7h n LYS 71 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2c7h n ASN 72 N -1.61 1.01 -4.68 -5.58 3.02 -1.26 -4.56 115.26 101.59 2c7h n ASN 72 Ca 0.03 -1.12 -0.35 0.00 -0.03 0.00 0.00 54.58 53.11 2c7h n ASN 72 Cb 0.15 0.02 -0.09 0.00 -0.61 0.00 0.00 39.78 39.24 2c7h n ASN 72 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2c7h s SER 73 N -2.20 5.23 -0.19 6.41 0.01 -0.44 -5.09 113.70 117.43 2c7h s SER 73 Ca 0.34 0.14 -0.09 0.00 1.31 0.00 0.00 55.95 57.65 2c7h s SER 73 Cb 0.21 -1.47 -0.05 0.00 0.21 0.00 0.00 66.02 64.92 2c7h s SER 73 CO 0.41 0.38 0.13 -0.44 0.41 0.00 0.00 173.24 174.13 2c7h s SER 74 N -0.89 6.24 0.21 2.44 0.01 -1.26 -4.07 113.70 116.38 2c7h s SER 74 Ca 0.13 0.27 0.08 0.00 1.31 0.00 0.00 55.95 57.74 2c7h s SER 74 Cb -0.11 -2.09 -0.05 0.00 0.21 0.00 0.00 66.02 63.98 2c7h s SER 74 CO 0.02 0.22 -0.15 0.68 0.41 0.00 0.00 173.24 174.42 2c7h s VAL 75 N 0.13 1.81 -0.13 3.43 -7.23 -0.01 -0.61 120.40 117.78 2c7h s VAL 75 Ca 0.09 -2.22 -0.05 0.00 -1.81 0.00 0.00 61.98 57.99 2c7h s VAL 75 Cb -0.11 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 2c7h s VAL 75 CO -0.01 -0.57 0.04 -0.63 -0.31 0.00 0.00 175.10 173.62 2c7h s ILE 76 N -2.90 4.60 -0.24 -0.62 -1.09 0.28 -0.98 121.20 120.24 2c7h s ILE 76 Ca 0.23 -0.12 -0.04 0.00 -2.23 0.00 0.00 60.65 58.49 2c7h s ILE 76 Cb -0.01 -3.00 0.00 0.00 -1.58 0.00 0.00 42.46 37.87 2c7h s ILE 76 CO 0.08 0.54 -0.02 -0.69 -1.23 0.00 0.00 174.94 173.63 2c7h s VAL 77 N -0.33 3.41 -0.16 2.92 1.01 0.94 -1.00 120.40 127.20 2c7h s VAL 77 Ca 0.08 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.42 2c7h s VAL 77 Cb -0.12 -2.65 0.01 0.00 0.00 0.00 0.00 36.38 33.62 2c7h s VAL 77 CO 0.02 0.29 -0.20 -0.60 0.00 0.00 0.00 175.10 174.61 2c7h s ARG 78 N 1.45 3.04 -0.17 2.72 6.06 0.38 -2.24 118.95 130.19 2c7h s ARG 78 Ca 0.04 -0.83 -0.29 0.00 -2.50 0.00 0.00 55.73 52.15 2c7h s ARG 78 Cb -0.15 -2.53 -0.01 0.00 0.06 0.00 0.00 34.95 32.32 2c7h s ARG 78 CO -0.02 -0.10 1.12 0.50 -2.50 0.00 0.00 175.30 174.31 2c7h s ARG 79 N 1.03 4.29 0.08 5.12 3.52 -1.26 0.14 118.95 131.86 2c7h s ARG 79 Ca -0.02 1.50 0.09 0.00 -0.13 0.00 0.00 55.73 57.17 2c7h s ARG 79 Cb -0.14 -3.65 -0.03 0.00 -1.56 0.00 0.00 34.95 29.56 2c7h s ARG 79 CO -0.06 -0.58 -0.25 0.96 -0.81 0.00 0.00 175.30 174.56 2c7h s ILE 80 N 2.96 2.05 0.19 4.11 -5.25 0.09 -4.91 121.20 120.45 2c7h s ILE 80 Ca 0.49 -1.48 -0.30 0.00 -0.99 0.00 0.00 60.65 58.37 2c7h s ILE 80 Cb -0.19 -1.78 -0.08 0.00 2.95 0.00 0.00 42.46 43.36 2c7h s ILE 80 CO 0.13 0.21 1.18 -2.16 -1.79 0.00 0.00 174.94 172.51 2c7h s PRO 81 N -1.54 4.51 0.18 0.37 0.04 -1.26 0.18 135.00 137.48 2c7h s PRO 81 Ca 0.11 1.86 0.11 0.00 0.04 0.00 0.00 61.00 63.12 2c7h s PRO 81 Cb -0.10 -3.24 -0.09 0.00 0.04 0.00 0.00 34.50 31.12 2c7h s PRO 81 CO 0.03 -0.06 1.32 -0.84 0.04 0.00 0.00 177.00 177.50 2c7h h ILE 82 N 3.71 1.29 0.00 0.56 3.07 -1.86 -3.44 117.51 120.84 2c7h h ILE 82 Ca -0.45 -2.84 0.00 0.00 1.55 0.00 0.00 64.86 63.13 2c7h h ILE 82 Cb 1.21 2.63 0.00 0.00 -0.27 0.00 0.00 36.82 40.39 2c7h h ILE 82 CO 0.74 0.73 0.00 0.61 -1.05 0.00 0.00 178.15 179.18 2c7h n GLY 83 N 1.30 2.43 2.66 0.16 0.00 -1.26 -3.32 105.19 107.17 2c7h n GLY 83 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 2c7h n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c7h n GLY 84 N 0.00 1.93 3.57 -0.02 0.00 -1.26 -5.04 105.19 104.37 2c7h n GLY 84 Ca 0.00 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 2c7h n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c7h s VAL 85 N 0.14 3.92 0.00 1.61 1.01 -1.21 -5.26 120.40 120.61 2c7h s VAL 85 Ca 0.11 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.02 2c7h s VAL 85 Cb 0.44 -4.98 0.00 0.00 0.00 0.00 0.00 36.38 31.83 2c7h s VAL 85 CO -0.12 -1.83 0.14 0.29 0.00 0.00 0.00 175.10 173.57