#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 3.67 -0.05 1.61 0.02 -1.26 -4.93 135.00 134.06 2c7h s PRO 2 Ca 0.00 2.06 -0.30 0.00 0.02 0.00 0.00 61.00 62.78 2c7h s PRO 2 Cb 0.00 -4.19 -0.04 0.00 0.02 0.00 0.00 34.50 30.29 2c7h s PRO 2 CO 0.00 -1.48 1.40 -1.17 -0.33 0.00 0.00 177.00 175.42 2c7h s LEU 3 N 6.05 4.29 0.00 -5.54 2.96 -1.26 -3.93 118.68 121.25 2c7h s LEU 3 Ca 0.86 2.02 0.00 0.00 -0.22 0.00 0.00 54.13 56.80 2c7h s LEU 3 Cb -0.33 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 42.81 2c7h s LEU 3 CO 0.35 -0.75 0.00 0.61 -1.32 0.00 0.00 176.35 175.24 2c7h n GLY 4 N 3.70 -0.04 0.68 7.98 0.00 -1.26 -4.85 105.19 111.40 2c7h n GLY 4 Ca 0.14 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.13 2c7h n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2c7h n SER 5 N 0.00 2.08 -4.89 1.61 7.64 -1.26 -4.85 113.62 113.95 2c7h n SER 5 Ca 0.00 -1.72 -0.31 0.00 1.01 0.00 0.00 58.87 57.85 2c7h n SER 5 Cb 0.00 -0.07 -0.05 0.00 -1.01 0.00 0.00 64.21 63.09 2c7h n SER 5 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2c7h s MET 6 N -1.87 3.71 -0.06 1.43 -1.94 -1.25 -4.62 119.30 114.69 2c7h s MET 6 Ca 0.34 0.10 -0.01 0.00 -1.71 0.00 0.00 55.69 54.41 2c7h s MET 6 Cb 0.20 -2.72 0.03 0.00 2.01 0.00 0.00 34.83 34.35 2c7h s MET 6 CO 0.30 0.36 0.02 -1.12 -0.01 0.00 0.00 175.02 174.56 2c7h s SER 7 N -2.51 1.46 -0.08 3.03 0.01 -0.83 -4.83 113.70 109.94 2c7h s SER 7 Ca 0.45 -0.04 0.03 0.00 1.31 0.00 0.00 55.95 57.69 2c7h s SER 7 Cb -0.11 -0.37 0.01 0.00 0.21 0.00 0.00 66.02 65.76 2c7h s SER 7 CO 0.24 -0.20 -0.16 0.00 0.41 0.00 0.00 173.24 173.52 2c7h s VAL 9 N 0.66 4.02 -0.58 0.00 1.01 -0.71 -4.57 120.40 120.24 2c7h s VAL 9 Ca -0.14 -0.29 -0.27 0.00 0.00 0.00 0.00 61.98 61.28 2c7h s VAL 9 Cb -0.16 -2.82 0.03 0.00 0.00 0.00 0.00 36.38 33.43 2c7h s VAL 9 CO 0.04 0.42 1.14 -1.00 0.00 0.00 0.00 175.10 175.71 2c7h s HIS 10 N 1.00 2.64 -0.14 5.22 3.76 -1.26 -2.10 115.29 124.42 2c7h s HIS 10 Ca 0.02 0.32 0.02 0.00 -0.15 0.00 0.00 55.06 55.27 2c7h s HIS 10 Cb -0.14 -4.43 0.00 0.00 1.11 0.00 0.00 32.58 29.12 2c7h s HIS 10 CO 0.02 -1.55 -0.20 1.52 -0.85 0.00 0.00 174.74 173.68 2c7h s TYR 11 N 4.76 2.70 -0.15 1.40 1.13 0.15 -0.88 117.35 126.47 2c7h s TYR 11 Ca 0.40 -1.18 -0.05 0.00 -1.41 0.00 0.00 57.07 54.83 2c7h s TYR 11 Cb -0.08 -1.83 -0.04 0.00 -1.10 0.00 0.00 41.96 38.91 2c7h s TYR 11 CO 0.24 -0.53 0.04 -1.59 -2.51 0.00 0.00 175.55 171.20 2c7h s LYS 12 N 0.73 3.65 0.39 -3.49 -2.85 -0.34 0.51 119.74 118.35 2c7h s LYS 12 Ca -0.08 -0.37 -0.17 0.00 -1.00 0.00 0.00 55.97 54.34 2c7h s LYS 12 Cb -0.16 -3.06 -0.10 0.00 -2.06 0.00 0.00 37.83 32.46 2c7h s LYS 12 CO 0.00 0.41 0.85 0.12 0.10 0.00 0.00 175.35 176.83 2c7h s PHE 13 N -0.04 3.35 0.43 1.78 2.19 -1.26 0.33 117.98 124.76 2c7h s PHE 13 Ca 0.05 1.39 0.28 0.00 0.33 0.00 0.00 56.93 58.98 2c7h s PHE 13 Cb -0.12 -2.68 1.48 0.00 -1.31 0.00 0.00 43.02 40.39 2c7h s PHE 13 CO 0.01 -0.03 2.09 0.66 1.83 0.00 0.00 175.22 179.78 2c7h h SER 14 N 1.97 0.00 1.52 6.13 4.64 -1.19 -0.43 113.55 126.19 2c7h h SER 14 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2c7h h SER 14 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2c7h h SER 14 CO 0.63 0.11 -0.04 0.28 -0.87 0.00 0.00 176.83 176.94 2c7h h SER 15 N 0.00 0.00 -2.40 4.97 0.02 -1.92 -3.46 113.55 110.76 2c7h h SER 15 Ca -0.00 -0.01 -0.52 0.00 -0.84 0.00 0.00 61.79 60.41 2c7h h SER 15 Cb 0.30 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.80 2c7h h SER 15 CO 0.01 0.01 -0.52 -0.54 -1.14 0.00 0.00 176.83 174.65 2c7h s LYS 16 N -3.12 3.04 0.00 3.45 1.02 -0.17 -5.00 119.74 118.95 2c7h s LYS 16 Ca 0.10 -0.91 0.25 0.00 0.02 0.00 0.00 55.97 55.43 2c7h s LYS 16 Cb 0.11 -2.67 0.48 0.00 -0.52 0.00 0.00 37.83 35.23 2c7h s LYS 16 CO 0.61 0.44 1.42 -0.11 -0.92 0.00 0.00 175.35 176.80 2c7h n LEU 17 N -0.87 2.61 -4.00 3.17 7.94 -1.26 -4.63 117.00 119.96 2c7h n LEU 17 Ca -0.08 -0.94 -0.09 0.00 -1.11 0.00 0.00 56.01 53.78 2c7h n LEU 17 Cb 0.56 -0.05 -0.08 0.00 0.53 0.00 0.00 43.42 44.38 2c7h n LEU 17 CO 0.44 0.47 -0.10 0.54 -1.11 0.00 0.00 177.39 177.63 2c7h s ASN 18 N -1.88 0.12 0.02 1.96 4.22 -1.26 -5.13 114.94 112.99 2c7h s ASN 18 Ca 0.33 -0.94 -0.17 0.00 -2.14 0.00 0.00 52.86 49.94 2c7h s ASN 18 Cb 0.21 0.39 -0.06 0.00 1.28 0.00 0.00 41.25 43.07 2c7h s ASN 18 CO 0.31 -0.84 0.47 -0.31 -2.04 0.00 0.00 177.10 174.69 2c7h s TYR 19 N -3.98 3.74 0.53 1.54 1.51 -1.26 -4.15 117.35 115.29 2c7h s TYR 19 Ca 0.18 1.09 0.06 0.00 -1.01 0.00 0.00 57.07 57.39 2c7h s TYR 19 Cb 0.04 -2.38 0.04 0.00 -0.11 0.00 0.00 41.96 39.56 2c7h s TYR 19 CO -0.00 0.60 0.46 0.34 -1.11 0.00 0.00 175.55 175.83 2c7h s ASP 20 N -0.99 4.73 -0.09 2.29 -1.08 0.18 -4.86 116.67 116.85 2c7h s ASP 20 Ca 0.26 -1.14 -0.04 0.00 -0.52 0.00 0.00 52.55 51.11 2c7h s ASP 20 Cb -0.18 0.29 0.05 0.00 -1.46 0.00 0.00 42.92 41.63 2c7h s ASP 20 CO 0.15 -1.09 0.18 0.42 0.52 0.00 0.00 175.17 175.36 2c7h s THR 21 N -2.73 -0.28 -0.19 1.71 -4.23 -1.26 -0.67 115.64 108.00 2c7h s THR 21 Ca 0.40 0.32 -0.15 0.00 -1.18 0.00 0.00 61.69 61.08 2c7h s THR 21 Cb -0.03 -0.33 -0.04 0.00 1.34 0.00 0.00 72.50 73.44 2c7h s THR 21 CO 0.24 0.14 0.35 0.68 -0.54 0.00 0.00 174.62 175.49 2c7h s VAL 22 N 2.23 5.24 -0.30 2.29 -7.23 -0.89 -4.91 120.40 116.83 2c7h s VAL 22 Ca 0.02 0.63 -0.13 0.00 -1.81 0.00 0.00 61.98 60.69 2c7h s VAL 22 Cb -0.12 -3.69 -0.03 0.00 0.56 0.00 0.00 36.38 33.10 2c7h s VAL 22 CO -0.06 0.30 0.26 0.42 -0.31 0.00 0.00 175.10 175.70 2c7h s THR 23 N 1.02 5.26 0.36 5.32 -4.23 -1.26 -1.74 115.64 120.37 2c7h s THR 23 Ca 0.18 0.12 0.04 0.00 -1.18 0.00 0.00 61.69 60.84 2c7h s THR 23 Cb -0.14 -3.64 -0.03 0.00 1.34 0.00 0.00 72.50 70.02 2c7h s THR 23 CO 0.07 0.12 0.13 0.72 -0.54 0.00 0.00 174.62 175.12 2c7h s PHE 24 N 1.84 1.76 0.09 3.99 -0.71 0.56 -4.96 117.98 120.55 2c7h s PHE 24 Ca 0.09 -1.26 0.04 0.00 -1.04 0.00 0.00 56.93 54.76 2c7h s PHE 24 Cb -0.16 -1.09 -0.04 0.00 -1.21 0.00 0.00 43.02 40.52 2c7h s PHE 24 CO 0.11 -0.32 0.03 0.16 -1.34 0.00 0.00 175.22 173.86 2c7h s ASP 25 N -3.52 5.18 0.00 1.98 -4.77 -1.26 -1.97 116.67 112.31 2c7h s ASP 25 Ca 0.30 -0.14 0.00 0.00 -3.30 0.00 0.00 52.55 49.41 2c7h s ASP 25 Cb 0.04 -1.28 0.00 0.00 -1.09 0.00 0.00 42.92 40.59 2c7h s ASP 25 CO 0.16 0.17 0.00 0.61 0.70 0.00 0.00 175.17 176.80 2c7h n GLY 26 N 0.48 0.86 0.22 2.12 0.00 -1.26 -4.62 105.19 102.98 2c7h n GLY 26 Ca -0.10 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.84 2c7h n GLY 26 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2c7h n LEU 27 N 0.00 0.00 -4.14 0.99 0.00 -1.26 -4.86 117.00 107.73 2c7h n LEU 27 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 56.01 55.86 2c7h n LEU 27 Cb 0.00 0.03 -0.11 0.00 0.00 0.00 0.00 43.42 43.34 2c7h n LEU 27 CO 0.00 -0.05 -0.42 -1.38 0.00 0.00 0.00 177.39 175.54 2c7h s HIS 28 N -1.11 0.97 -0.13 1.96 -3.43 -1.26 -0.52 115.29 111.77 2c7h s HIS 28 Ca 0.00 -0.57 0.02 0.00 -0.80 0.00 0.00 55.06 53.71 2c7h s HIS 28 Cb 0.00 -0.55 -0.00 0.00 -1.43 0.00 0.00 32.58 30.60 2c7h s HIS 28 CO 0.00 -0.02 -0.19 -1.50 -2.00 0.00 0.00 174.74 171.03 2c7h s ILE 29 N -1.89 2.41 0.37 -5.38 2.07 0.61 -4.90 121.20 114.48 2c7h s ILE 29 Ca -0.01 -0.87 -0.28 0.00 -1.41 0.00 0.00 60.65 58.08 2c7h s ILE 29 Cb -0.06 -1.98 -0.10 0.00 0.13 0.00 0.00 42.46 40.44 2c7h s ILE 29 CO 0.00 0.54 1.41 -0.44 -1.91 0.00 0.00 174.94 174.54 2c7h s SER 30 N 0.61 6.47 0.30 4.50 0.01 -1.26 0.14 113.70 124.47 2c7h s SER 30 Ca -0.10 2.89 0.03 0.00 1.31 0.00 0.00 55.95 60.08 2c7h s SER 30 Cb -0.16 -2.66 0.62 0.00 0.21 0.00 0.00 66.02 64.03 2c7h s SER 30 CO 0.03 -0.77 1.85 0.25 0.41 0.00 0.00 173.24 175.01 2c7h h LEU 31 N 3.08 0.86 -0.51 2.44 5.85 0.11 0.12 115.31 127.28 2c7h h LEU 31 Ca -0.50 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.34 2c7h h LEU 31 Cb 1.24 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 42.07 2c7h h LEU 31 CO 0.64 0.46 0.15 0.00 -0.34 0.00 0.00 178.44 179.35 2c7h h ASP 33 N 0.30 0.64 -0.31 0.00 3.58 -1.24 -0.59 116.42 118.81 2c7h h ASP 33 Ca 0.25 -0.48 0.02 0.00 0.42 0.00 0.00 57.03 57.24 2c7h h ASP 33 Cb 0.30 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 2c7h h ASP 33 CO -0.28 1.26 0.17 0.25 -2.88 0.00 0.00 179.24 177.75 2c7h h LEU 34 N 0.32 0.26 -0.14 2.28 7.12 -0.35 0.93 115.31 125.74 2c7h h LEU 34 Ca -0.07 0.01 -0.10 0.00 0.13 0.00 0.00 57.88 57.85 2c7h h LEU 34 Cb 1.50 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 41.59 2c7h h LEU 34 CO 0.16 0.19 -0.30 0.11 -0.13 0.00 0.00 178.44 178.47 2c7h h LYS 35 N 0.34 0.44 -0.48 1.25 1.57 -0.37 -2.43 116.57 116.90 2c7h h LYS 35 Ca 0.12 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 2c7h h LYS 35 Cb 0.02 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2c7h h LYS 35 CO -0.07 0.90 0.24 0.87 -0.57 0.00 0.00 179.45 180.82 2c7h h LYS 36 N 0.05 0.66 -0.02 3.15 6.56 -0.86 0.29 116.57 126.39 2c7h h LYS 36 Ca 0.00 -0.07 -0.00 0.00 -1.06 0.00 0.00 60.65 59.51 2c7h h LYS 36 Cb 0.90 -0.13 -0.00 0.00 -0.57 0.00 0.00 32.23 32.43 2c7h h LYS 36 CO 0.07 0.51 -0.00 1.96 -2.06 0.00 0.00 179.45 179.92 2c7h h GLN 37 N 0.66 0.04 -0.53 3.15 4.20 -0.76 -2.99 115.11 118.87 2c7h h GLN 37 Ca 0.17 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.81 2c7h h GLN 37 Cb 0.06 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 2c7h h GLN 37 CO -0.02 0.39 0.10 0.82 -0.67 0.00 0.00 178.83 179.45 2c7h h ILE 38 N -0.33 1.25 -0.52 2.54 2.04 -0.89 -0.40 117.51 121.20 2c7h h ILE 38 Ca 0.00 -0.92 0.01 0.00 1.00 0.00 0.00 64.86 64.95 2c7h h ILE 38 Cb 0.38 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 2c7h h ILE 38 CO 0.00 0.33 0.34 0.24 0.00 0.00 0.00 178.15 179.07 2c7h h MET 39 N 0.76 0.67 -0.02 2.37 2.86 -0.52 0.18 114.93 121.23 2c7h h MET 39 Ca 0.16 -0.04 -0.15 0.00 -2.06 0.00 0.00 59.70 57.62 2c7h h MET 39 Cb 0.38 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 2c7h h MET 39 CO 0.01 0.44 -0.66 0.78 1.06 0.00 0.00 176.91 178.54 2c7h h GLY 40 N 0.69 0.09 0.54 8.32 0.00 -1.37 0.16 103.07 111.50 2c7h h GLY 40 Ca 0.19 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 2c7h h GLY 40 CO -0.05 0.11 -0.03 -0.09 0.00 0.00 0.00 176.54 176.48 2c7h h ARG 41 N 0.06 -0.09 0.00 4.80 2.43 -0.42 -3.33 114.38 117.82 2c7h h ARG 41 Ca -0.01 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2c7h h ARG 41 Cb 1.18 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2c7h h ARG 41 CO 0.09 0.35 -0.92 0.39 -1.51 0.00 0.00 179.97 178.36 2c7h n GLU 42 N -4.92 0.26 -1.67 0.20 -0.58 0.56 -4.98 120.64 109.51 2c7h n GLU 42 Ca -0.08 0.01 -0.00 0.00 -0.42 0.00 0.00 57.16 56.67 2c7h n GLU 42 Cb 0.25 -1.60 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 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 -1.95 -0.18 -3.96 3.49 4.76 -0.45 -5.07 118.16 114.80 2c7h n LYS 43 Ca 0.02 0.63 -0.27 0.00 -2.87 0.00 0.00 58.31 55.82 2c7h n LYS 43 Cb 0.43 -1.98 -0.04 0.00 -1.84 0.00 0.00 35.03 31.60 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 -1.99 4.25 -0.58 -0.35 1.02 0.45 -5.03 118.68 116.46 2c7h s LEU 44 Ca 0.01 0.14 -0.20 0.00 0.02 0.00 0.00 54.13 54.10 2c7h s LEU 44 Cb -0.00 -2.83 0.08 0.00 0.02 0.00 0.00 46.19 43.46 2c7h s LEU 44 CO 0.08 0.08 0.74 -1.59 0.02 0.00 0.00 176.35 175.69 2c7h s LYS 45 N -3.05 3.09 0.11 1.70 0.00 -1.26 -4.83 119.74 115.50 2c7h s LYS 45 Ca 0.34 -1.06 0.27 0.00 0.00 0.00 0.00 55.97 55.53 2c7h s LYS 45 Cb -0.11 -4.20 1.01 0.00 0.00 0.00 0.00 37.83 34.52 2c7h s LYS 45 CO 0.27 -1.50 1.85 0.00 0.00 0.00 0.00 175.35 175.97 2c7h n ALA 46 N 6.59 2.31 0.54 0.59 0.00 -1.26 -0.39 120.51 128.90 2c7h n ALA 46 Ca -0.07 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.44 2c7h n ALA 46 Cb 0.44 -1.47 0.37 0.00 0.00 0.00 0.00 19.45 18.79 2c7h n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c7h h ALA 47 N 2.74 1.00 0.00 0.00 0.00 -2.03 -3.33 119.26 117.64 2c7h h ALA 47 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2c7h h ALA 47 Cb 0.63 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2c7h h ALA 47 CO 0.00 0.00 -1.19 -3.47 0.00 0.00 0.00 179.25 174.59 2c7h n ASP 48 N -2.41 4.24 -4.36 0.00 2.03 -1.07 -4.96 116.55 110.01 2c7h n ASP 48 Ca 0.05 -0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.17 2c7h n ASP 48 Cb 0.44 0.49 -0.10 0.00 -0.72 0.00 0.00 41.12 41.22 2c7h n ASP 48 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2c7h s ASP 50 N -3.35 3.30 -0.20 0.00 2.15 0.21 -4.19 116.67 114.59 2c7h s ASP 50 Ca 0.29 -1.36 -0.02 0.00 0.43 0.00 0.00 52.55 51.89 2c7h s ASP 50 Cb 0.05 -0.28 0.00 0.00 -0.30 0.00 0.00 42.92 42.40 2c7h s ASP 50 CO 0.10 -0.49 -0.11 -0.22 -0.17 0.00 0.00 175.17 174.27 2c7h s LEU 51 N -3.62 2.57 -0.22 -1.34 2.96 -1.26 -1.46 118.68 116.31 2c7h s LEU 51 Ca 0.35 -0.50 -0.07 0.00 -0.22 0.00 0.00 54.13 53.70 2c7h s LEU 51 Cb 0.09 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 2c7h s LEU 51 CO 0.17 -0.01 0.05 -1.58 -1.32 0.00 0.00 176.35 173.65 2c7h s GLN 52 N 1.39 3.70 -0.09 1.98 2.00 0.10 -4.93 119.66 123.82 2c7h s GLN 52 Ca 0.05 -0.47 0.02 0.00 -2.00 0.00 0.00 55.36 52.97 2c7h s GLN 52 Cb -0.14 -3.22 -0.02 0.00 0.80 0.00 0.00 33.01 30.43 2c7h s GLN 52 CO -0.07 -0.03 -0.14 0.42 -0.50 0.00 0.00 175.29 174.96 2c7h s ILE 53 N 1.18 3.03 -0.01 -2.34 -1.09 -1.26 -0.03 121.20 120.68 2c7h s ILE 53 Ca 0.04 -0.71 0.06 0.00 -2.23 0.00 0.00 60.65 57.81 2c7h s ILE 53 Cb -0.14 -2.22 -0.02 0.00 -1.58 0.00 0.00 42.46 38.50 2c7h s ILE 53 CO 0.03 0.56 -0.18 -0.89 -1.23 0.00 0.00 174.94 173.22 2c7h s THR 54 N -0.24 1.46 0.25 2.92 2.01 0.08 -0.28 115.64 121.85 2c7h s THR 54 Ca 0.01 -0.84 -0.30 0.00 0.31 0.00 0.00 61.69 60.88 2c7h s THR 54 Cb -0.13 -1.22 -0.09 0.00 0.01 0.00 0.00 72.50 71.06 2c7h s THR 54 CO 0.03 0.37 1.17 0.21 -0.69 0.00 0.00 174.62 175.71 2c7h s ASN 55 N -0.54 7.12 0.18 3.53 3.84 0.16 0.81 114.94 130.04 2c7h s ASN 55 Ca 0.07 2.33 0.24 0.00 0.21 0.00 0.00 52.86 55.70 2c7h s ASN 55 Cb -0.07 -2.62 0.30 0.00 -0.55 0.00 0.00 41.25 38.31 2c7h s ASN 55 CO -0.00 -0.29 1.32 0.00 -2.79 0.00 0.00 177.10 175.34 2c7h h ALA 56 N 4.26 0.64 0.01 1.71 0.00 -1.57 -2.16 119.26 122.15 2c7h h ALA 56 Ca -0.46 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.03 2c7h h ALA 56 Cb 1.21 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 2c7h h ALA 56 CO 0.69 0.00 -2.45 1.04 0.00 0.00 0.00 179.25 178.54 2c7h n GLN 57 N -2.35 0.63 -0.01 0.00 6.02 -1.25 -4.53 117.38 115.89 2c7h n GLN 57 Ca 0.03 0.22 0.11 0.00 -0.01 0.00 0.00 57.00 57.34 2c7h n GLN 57 Cb 0.47 -1.52 -0.16 0.00 1.02 0.00 0.00 30.24 30.05 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 -3.72 0.00 -1.06 5.09 -2.24 -1.26 -4.97 114.28 106.11 2c7h n THR 58 Ca -0.49 -0.45 -0.02 0.00 -2.27 0.00 0.00 64.05 60.83 2c7h n THR 58 Cb 0.94 0.10 -0.01 0.00 -2.10 0.00 0.00 70.33 69.26 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 -2.18 -0.75 -2.34 -0.78 4.76 -0.81 -5.00 118.16 111.06 2c7h n LYS 59 Ca -0.03 0.35 -0.41 0.00 -2.87 0.00 0.00 58.31 55.34 2c7h n LYS 59 Cb 0.54 -4.01 -0.03 0.00 -1.84 0.00 0.00 35.03 29.68 2c7h n LYS 59 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2c7h s GLU 60 N -1.27 4.48 0.10 1.97 0.41 -1.26 -4.54 118.70 118.59 2c7h s GLU 60 Ca 0.00 1.91 -0.11 0.00 -0.41 0.00 0.00 54.97 56.36 2c7h s GLU 60 Cb 0.00 -3.22 -0.06 0.00 -1.78 0.00 0.00 34.13 29.06 2c7h s GLU 60 CO 0.00 -0.10 0.45 -1.21 -0.49 0.00 0.00 175.26 173.91 2c7h s GLU 61 N -0.33 3.83 -0.54 1.61 2.02 -1.26 0.39 118.70 124.42 2c7h s GLU 61 Ca 0.53 0.27 -0.11 0.00 0.02 0.00 0.00 54.97 55.69 2c7h s GLU 61 Cb -0.33 -2.97 0.14 0.00 0.10 0.00 0.00 34.13 31.07 2c7h s GLU 61 CO 0.38 0.53 0.43 0.71 0.02 0.00 0.00 175.26 177.33 2c7h s TYR 62 N -1.43 3.43 -0.11 1.61 2.02 0.62 -4.91 117.35 118.58 2c7h s TYR 62 Ca 0.35 -1.85 -0.02 0.00 -0.37 0.00 0.00 57.07 55.18 2c7h s TYR 62 Cb -0.14 -3.57 -0.25 0.00 -0.40 0.00 0.00 41.96 37.59 2c7h s TYR 62 CO 0.19 -0.99 0.42 0.25 -1.57 0.00 0.00 175.55 173.85 2c7h n THR 63 N 4.74 1.74 -3.95 -0.71 -2.24 -1.26 -4.06 114.28 108.54 2c7h n THR 63 Ca -0.05 -0.69 -0.30 0.00 -2.27 0.00 0.00 64.05 60.74 2c7h n THR 63 Cb 0.41 -1.56 -0.04 0.00 -2.10 0.00 0.00 70.33 67.03 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 -6.81 6.18 0.32 3.42 -1.08 -1.26 -4.98 116.67 112.47 2c7h s ASP 64 Ca -0.19 0.20 0.24 0.00 -0.52 0.00 0.00 52.55 52.28 2c7h s ASP 64 Cb 0.07 -1.85 1.17 0.00 -1.46 0.00 0.00 42.92 40.84 2c7h s ASP 64 CO 0.78 0.16 1.73 0.44 0.52 0.00 0.00 175.17 178.79 2c7h h ASP 65 N 3.02 0.00 0.95 -0.34 5.19 -1.93 -0.38 116.42 122.92 2c7h h ASP 65 Ca -0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 2c7h h ASP 65 Cb 1.16 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.67 2c7h h ASP 65 CO 0.73 0.00 -0.17 -0.46 -3.12 0.00 0.00 179.24 176.22 2c7h n ASN 66 N -2.33 0.31 -4.77 6.45 0.23 -1.26 -0.18 115.26 113.71 2c7h n ASN 66 Ca -0.00 0.30 -0.40 0.00 -0.53 0.00 0.00 54.58 53.95 2c7h n ASN 66 Cb 0.12 -0.31 0.00 0.00 -2.08 0.00 0.00 39.78 37.51 2c7h n ASN 66 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2c7h s ALA 67 N -3.03 3.42 -0.05 -2.53 0.00 -0.15 -4.59 121.76 114.83 2c7h s ALA 67 Ca 0.12 1.45 0.05 0.00 0.00 0.00 0.00 51.96 53.58 2c7h s ALA 67 Cb 0.17 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 2c7h s ALA 67 CO 0.60 -1.00 -0.20 -0.48 0.00 0.00 0.00 175.76 174.67 2c7h s LEU 68 N -2.28 2.38 -0.27 0.00 0.05 -1.26 0.12 118.68 117.41 2c7h s LEU 68 Ca 0.55 -0.36 -0.01 0.00 0.05 0.00 0.00 54.13 54.35 2c7h s LEU 68 Cb -0.44 -1.46 0.04 0.00 -2.05 0.00 0.00 46.19 42.29 2c7h s LEU 68 CO 0.58 0.29 -0.04 -0.63 -0.55 0.00 0.00 176.35 176.00 2c7h s ILE 69 N -0.44 2.87 0.58 1.48 1.09 0.12 -4.91 121.20 122.00 2c7h s ILE 69 Ca 0.05 -1.23 -0.14 0.00 -1.10 0.00 0.00 60.65 58.23 2c7h s ILE 69 Cb -0.12 -2.56 -0.05 0.00 -1.06 0.00 0.00 42.46 38.67 2c7h s ILE 69 CO 0.01 0.05 1.02 -2.16 -0.10 0.00 0.00 174.94 173.77 2c7h s PRO 70 N 1.28 3.58 0.50 2.79 0.04 -1.26 -0.29 135.00 141.64 2c7h s PRO 70 Ca -0.03 0.96 0.31 0.00 0.04 0.00 0.00 61.00 62.28 2c7h s PRO 70 Cb -0.18 -2.08 1.68 0.00 0.04 0.00 0.00 34.50 33.96 2c7h s PRO 70 CO -0.03 -0.58 1.93 1.57 0.04 0.00 0.00 177.00 179.93 2c7h h LYS 71 N 0.28 0.00 -0.00 4.56 2.10 -1.05 0.52 116.57 122.97 2c7h h LYS 71 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 2c7h h LYS 71 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 2c7h h LYS 71 CO 0.60 0.00 -0.03 0.09 -2.00 0.00 0.00 179.45 178.11 2c7h n ASN 72 N -2.64 0.35 -4.22 7.07 4.13 -1.26 -4.58 115.26 114.12 2c7h n ASN 72 Ca -0.02 -0.86 -0.34 0.00 1.68 0.00 0.00 54.58 55.04 2c7h n ASN 72 Cb 0.12 -0.06 -0.15 0.00 -1.54 0.00 0.00 39.78 38.16 2c7h n ASN 72 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2c7h s SER 73 N -2.20 3.93 -0.20 6.41 0.01 0.17 -5.07 113.70 116.75 2c7h s SER 73 Ca 0.39 -0.61 -0.20 0.00 1.31 0.00 0.00 55.95 56.84 2c7h s SER 73 Cb 0.21 -1.63 -0.03 0.00 0.21 0.00 0.00 66.02 64.78 2c7h s SER 73 CO 0.40 -0.04 0.60 -0.44 0.41 0.00 0.00 173.24 174.17 2c7h s SER 74 N 1.37 6.64 0.26 2.44 0.01 -1.26 -4.26 113.70 118.91 2c7h s SER 74 Ca 0.04 0.78 0.11 0.00 1.31 0.00 0.00 55.95 58.19 2c7h s SER 74 Cb -0.15 -2.33 -0.05 0.00 0.21 0.00 0.00 66.02 63.70 2c7h s SER 74 CO -0.07 -0.26 -0.19 0.68 0.41 0.00 0.00 173.24 173.81 2c7h s VAL 75 N 1.92 2.32 -0.13 3.43 -7.23 -0.06 -1.48 120.40 119.17 2c7h s VAL 75 Ca 0.27 -2.37 -0.03 0.00 -1.81 0.00 0.00 61.98 58.04 2c7h s VAL 75 Cb -0.16 -2.25 -0.03 0.00 0.56 0.00 0.00 36.38 34.50 2c7h s VAL 75 CO 0.10 -0.44 -0.01 -0.63 -0.31 0.00 0.00 175.10 173.81 2c7h s ILE 76 N -2.61 4.18 -0.27 -0.62 -1.09 0.24 -1.19 121.20 119.83 2c7h s ILE 76 Ca 0.28 -0.27 -0.08 0.00 -2.23 0.00 0.00 60.65 58.36 2c7h s ILE 76 Cb -0.04 -2.81 -0.01 0.00 -1.58 0.00 0.00 42.46 38.02 2c7h s ILE 76 CO 0.13 0.53 0.09 -0.69 -1.23 0.00 0.00 174.94 173.77 2c7h s VAL 77 N -0.13 4.26 -0.07 2.92 1.01 0.15 -0.74 120.40 127.80 2c7h s VAL 77 Ca 0.04 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.68 2c7h s VAL 77 Cb -0.13 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 2c7h s VAL 77 CO 0.02 0.22 -0.15 -0.60 0.00 0.00 0.00 175.10 174.59 2c7h s ARG 78 N 1.58 2.72 -0.20 2.72 3.52 0.96 -0.52 118.95 129.74 2c7h s ARG 78 Ca 0.05 -0.71 -0.17 0.00 -0.13 0.00 0.00 55.73 54.77 2c7h s ARG 78 Cb -0.16 -2.43 -0.03 0.00 -1.56 0.00 0.00 34.95 30.77 2c7h s ARG 78 CO 0.04 0.51 0.47 0.50 -0.81 0.00 0.00 175.30 176.01 2c7h s ARG 79 N -0.43 4.18 0.09 5.12 3.52 -1.26 0.02 118.95 130.19 2c7h s ARG 79 Ca 0.05 0.33 0.08 0.00 -0.13 0.00 0.00 55.73 56.06 2c7h s ARG 79 Cb -0.12 -3.55 -0.03 0.00 -1.56 0.00 0.00 34.95 29.69 2c7h s ARG 79 CO 0.02 -0.10 -0.20 0.96 -0.81 0.00 0.00 175.30 175.17 2c7h s ILE 80 N 1.50 1.62 0.31 4.11 -5.25 -0.54 -4.90 121.20 118.05 2c7h s ILE 80 Ca 0.22 -1.46 -0.28 0.00 -0.99 0.00 0.00 60.65 58.14 2c7h s ILE 80 Cb -0.15 -1.47 -0.09 0.00 2.95 0.00 0.00 42.46 43.69 2c7h s ILE 80 CO 0.09 -0.05 1.13 -2.16 -1.79 0.00 0.00 174.94 172.16 2c7h s PRO 81 N -1.79 4.48 -0.00 0.37 0.04 -1.26 0.68 135.00 137.51 2c7h s PRO 81 Ca 0.05 1.85 -0.04 0.00 0.04 0.00 0.00 61.00 62.90 2c7h s PRO 81 Cb -0.10 -3.05 -0.02 0.00 0.04 0.00 0.00 34.50 31.37 2c7h s PRO 81 CO 0.04 0.05 0.57 -0.84 0.04 0.00 0.00 177.00 176.86 2c7h h ILE 82 N 2.91 0.00 0.00 0.56 3.07 -1.37 -3.42 117.51 119.26 2c7h h ILE 82 Ca -0.47 -0.09 -0.16 0.00 1.55 0.00 0.00 64.86 65.68 2c7h h ILE 82 Cb 1.22 0.00 -0.12 0.00 -0.27 0.00 0.00 36.82 37.64 2c7h h ILE 82 CO 0.66 0.00 -0.12 0.61 -1.05 0.00 0.00 178.15 178.24 2c7h n GLY 83 N 0.37 -0.18 0.10 0.16 0.00 -1.26 -5.00 105.19 99.38 2c7h n GLY 83 Ca -0.02 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.07 3.76 -0.02 0.00 -1.26 -5.05 105.19 102.55 2c7h n GLY 84 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 2c7h n GLY 84 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2c7h s VAL 85 N -0.05 3.85 0.00 1.61 -7.23 -1.26 -5.19 120.40 112.12 2c7h s VAL 85 Ca 0.00 1.82 0.00 0.00 -1.81 0.00 0.00 61.98 61.99 2c7h s VAL 85 Cb 0.00 -4.14 0.00 0.00 0.56 0.00 0.00 36.38 32.80 2c7h s VAL 85 CO 0.00 0.41 0.00 2.29 -0.31 0.00 0.00 175.10 177.49